============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 13 rings ring int. center anis. iso. TYR 12 0.840 36.171 -58.948 16.981 -99.200 -91.000 HIS 35 0.900 42.544 -71.595 19.902 -99.200 -91.000 PHE 39 1.000 36.643 -72.270 26.767 -99.200 -91.000 TYR 53 0.840 21.179 -56.192 30.539 -99.200 -91.000 PHE 75 1.000 24.822 -62.626 12.261 -99.200 -91.000 PHE 87 1.000 -1.008 -72.580 9.957 -99.200 -91.000 PHE 99 1.000 18.637 -74.541 17.546 -99.200 -91.000 PHE 111 1.000 21.894 -60.870 17.007 -99.200 -91.000 PHE 147 1.000 25.587 -81.579 16.462 -99.200 -91.000 PHE 175 1.000 20.004 -67.634 25.495 -99.200 -91.000 HIS 196 0.900 29.269 -45.837 11.776 -99.200 -91.000 TYR 241 0.840 34.038 -27.490 1.154 -99.200 -91.000 PHE 247 1.000 29.459 -34.127 11.216 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3h4mC1 ALA 158 HA -0.00 -0.06 0.19 -0.75 4.34 3.72 3h4mC1 ALA 158 HB3 0.01 -0.02 -0.01 -0.04 1.41 1.35 3h4mC1 MET 159 H -0.00 0.21 0.12 -0.55 8.47 8.25 3h4mC1 MET 159 HA 0.00 0.07 0.36 -0.75 4.52 4.20 3h4mC1 MET 159 HB2 -0.03 0.04 -0.07 -0.04 2.15 2.04 3h4mC1 MET 159 HB3 -0.03 0.03 0.16 -0.04 2.03 2.15 3h4mC1 MET 159 HG2 -0.03 0.02 -0.09 -0.04 2.63 2.48 3h4mC1 MET 159 HG3 -0.02 -0.06 0.01 -0.04 2.56 2.44 3h4mC1 MET 159 HE3 -0.01 -0.02 0.03 -0.04 2.10 2.05 3h4mC1 GLU 160 H 0.03 0.62 0.21 -0.55 8.60 8.91 3h4mC1 GLU 160 HA 0.03 0.14 0.63 -0.75 4.29 4.34 3h4mC1 GLU 160 HB2 0.09 -0.08 0.23 -0.04 2.09 2.30 3h4mC1 GLU 160 HB3 0.09 0.07 0.01 -0.04 1.99 2.12 3h4mC1 GLU 160 HG2 0.04 0.06 -0.06 -0.04 2.34 2.34 3h4mC1 GLU 160 HG3 0.05 -0.04 -0.06 -0.04 2.34 2.25 3h4mC1 VAL 161 H 0.02 0.22 0.21 -0.55 8.24 8.14 3h4mC1 VAL 161 HA 0.02 0.18 0.81 -0.75 4.13 4.39 3h4mC1 VAL 161 HB 0.01 -0.03 0.14 -0.04 2.12 2.20 3h4mC1 VAL 161 HG13 0.01 -0.01 -0.15 -0.04 0.97 0.78 3h4mC1 VAL 161 HG23 -0.02 0.01 -0.05 -0.04 0.95 0.85 3h4mC1 ASP 162 H 0.09 0.60 0.19 -0.55 8.40 8.72 3h4mC1 ASP 162 HA 0.04 0.03 0.52 -0.75 4.63 4.47 3h4mC1 ASP 162 HB2 0.09 0.01 -0.15 -0.04 2.71 2.61 3h4mC1 ASP 162 HB3 0.17 -0.06 0.10 -0.04 2.70 2.87 3h4mC1 GLU 163 H 0.02 0.06 0.03 -0.55 8.60 8.17 3h4mC1 GLU 163 HA 0.03 0.05 0.46 -0.75 4.29 4.08 3h4mC1 GLU 163 HB2 0.01 0.06 -0.12 -0.04 2.09 1.99 3h4mC1 GLU 163 HB3 0.01 0.05 0.09 -0.04 1.99 2.10 3h4mC1 GLU 163 HG2 0.01 -0.10 0.09 -0.04 2.34 2.30 3h4mC1 GLU 163 HG3 0.01 0.00 0.01 -0.04 2.34 2.32 3h4mC1 ARG 164 H 0.01 0.12 0.07 -0.55 8.46 8.11 3h4mC1 ARG 164 HA -0.01 0.13 0.35 -0.75 4.34 4.07 3h4mC1 ARG 164 HB2 -0.02 0.06 0.11 -0.04 1.90 2.00 3h4mC1 ARG 164 HB3 -0.01 0.04 0.13 -0.04 1.80 1.93 3h4mC1 ARG 164 HG2 -0.00 -0.12 -0.13 -0.04 1.67 1.37 3h4mC1 ARG 164 HG3 -0.01 -0.02 0.02 -0.04 1.67 1.62 3h4mC1 ARG 164 HD2 -0.01 0.02 0.03 -0.04 3.22 3.22 3h4mC1 ARG 164 HD3 -0.00 0.04 0.03 -0.04 3.22 3.25 3h4mC1 PRO 165 HA -0.07 0.09 0.60 -0.51 4.44 4.56 3h4mC1 PRO 165 HB2 -0.22 -0.20 0.04 -0.04 2.28 1.86 3h4mC1 PRO 165 HB3 -0.16 0.03 0.07 -0.04 2.02 1.92 3h4mC1 PRO 165 HG2 -0.15 0.02 -0.13 -0.04 2.03 1.72 3h4mC1 PRO 165 HG3 -0.20 -0.04 0.01 -0.04 2.03 1.76 3h4mC1 PRO 165 HD2 -0.01 0.15 0.05 -0.04 3.68 3.82 3h4mC1 PRO 165 HD3 0.03 0.37 -0.11 -0.04 3.65 3.90 3h4mC1 ASN 166 H -0.13 0.06 -0.04 -0.55 8.53 7.88 3h4mC1 ASN 166 HA -0.09 0.27 0.93 -0.75 4.76 5.11 3h4mC1 ASN 166 HB2 -0.06 0.04 -0.28 -0.04 2.88 2.54 3h4mC1 ASN 166 HB3 -0.06 -0.06 0.14 -0.04 2.79 2.77 3h4mC1 ASN 166 HD21 -0.04 -0.01 -0.04 -0.04 7.03 6.90 3h4mC1 ASN 166 HD22 -0.04 -0.04 -0.02 -0.04 7.74 7.61 3h4mC1 VAL 167 H -0.16 0.31 -0.13 -0.55 8.24 7.71 3h4mC1 VAL 167 HA -0.12 0.19 1.01 -0.75 4.13 4.46 3h4mC1 VAL 167 HB -0.21 0.00 -0.22 -0.04 2.12 1.66 3h4mC1 VAL 167 HG13 -0.12 0.03 -0.19 -0.04 0.97 0.64 3h4mC1 VAL 167 HG23 -0.18 -0.02 -0.20 -0.04 0.95 0.50 3h4mC1 ARG 168 H -0.10 0.18 0.05 -0.55 8.46 8.05 3h4mC1 ARG 168 HA -0.16 0.18 0.66 -0.75 4.34 4.26 3h4mC1 ARG 168 HB2 -0.05 -0.06 0.05 -0.04 1.90 1.80 3h4mC1 ARG 168 HB3 -0.02 -0.08 0.08 -0.04 1.80 1.73 3h4mC1 ARG 168 HG2 -0.05 0.08 -0.01 -0.04 1.67 1.64 3h4mC1 ARG 168 HG3 -0.06 0.04 -0.02 -0.04 1.67 1.59 3h4mC1 ARG 168 HD2 -0.03 -0.04 -0.02 -0.04 3.22 3.09 3h4mC1 ARG 168 HD3 -0.02 0.01 -0.01 -0.04 3.22 3.16 3h4mC1 TYR 169 H -0.17 0.24 0.17 -0.55 8.29 7.98 3h4mC1 TYR 169 HA -0.02 0.08 0.48 -0.75 4.56 4.35 3h4mC1 TYR 169 HB2 -0.01 -0.04 0.12 -0.04 3.06 3.09 3h4mC1 TYR 169 HB3 -0.01 0.03 -0.00 -0.04 2.98 2.96 3h4mC1 TYR 169 HD2 -0.01 -0.04 0.04 -0.04 7.15 7.11 3h4mC1 TYR 169 HE2 0.01 0.01 -0.03 -0.04 6.85 6.79 3h4mC1 GLU 170 H 0.09 0.08 -0.17 -0.55 8.60 8.05 3h4mC1 GLU 170 HA 0.03 0.04 0.31 -0.75 4.29 3.91 3h4mC1 GLU 170 HB2 -0.00 -0.08 -0.03 -0.04 2.09 1.93 3h4mC1 GLU 170 HB3 -0.01 0.07 -0.15 -0.04 1.99 1.86 3h4mC1 GLU 170 HG2 0.00 0.05 -0.01 -0.04 2.34 2.35 3h4mC1 GLU 170 HG3 0.01 0.02 0.02 -0.04 2.34 2.35 3h4mC1 ASP 171 H -0.02 0.37 -0.70 -0.55 8.40 7.50 3h4mC1 ASP 171 HA -0.08 0.08 0.26 -0.75 4.63 4.13 3h4mC1 ASP 171 HB2 -0.07 0.09 -0.02 -0.04 2.71 2.66 3h4mC1 ASP 171 HB3 -0.12 -0.03 0.05 -0.04 2.70 2.56 3h4mC1 ILE 172 H 0.02 0.62 -0.21 -0.55 8.25 8.13 3h4mC1 ILE 172 HA 0.00 0.07 0.88 -0.75 4.18 4.38 3h4mC1 ILE 172 HB 0.07 0.08 0.11 -0.04 1.89 2.11 3h4mC1 ILE 172 HG12 0.01 -0.06 -0.10 -0.04 1.49 1.30 3h4mC1 ILE 172 HG13 -0.01 0.02 -0.21 -0.04 1.21 0.97 3h4mC1 ILE 172 HG23 0.03 -0.04 -0.19 -0.04 0.93 0.69 3h4mC1 ILE 172 HD13 0.02 0.00 -0.31 -0.04 0.88 0.55 3h4mC1 GLY 173 H 0.02 0.19 0.16 -0.55 8.43 8.25 3h4mC1 GLY 173 HA2 0.01 0.16 0.79 -0.51 4.01 4.46 3h4mC1 GLY 173 HA3 0.01 0.02 0.18 -0.51 4.01 3.71 3h4mC1 GLY 174 H 0.01 0.17 0.18 -0.55 8.43 8.24 3h4mC1 GLY 174 HA2 0.00 -0.04 0.39 -0.51 4.01 3.86 3h4mC1 GLY 174 HA3 0.01 0.13 0.37 -0.51 4.01 4.01 3h4mC1 LEU 175 H 0.01 0.16 -0.45 -0.55 8.37 7.54 3h4mC1 LEU 175 HA 0.00 0.23 0.87 -0.75 4.35 4.69 3h4mC1 LEU 175 HB2 0.02 0.08 -0.16 -0.04 1.64 1.54 3h4mC1 LEU 175 HB3 0.01 -0.13 0.08 -0.04 1.64 1.57 3h4mC1 LEU 175 HG 0.02 0.16 -0.32 -0.04 1.64 1.45 3h4mC1 LEU 175 HD13 0.02 0.00 -0.14 -0.04 0.93 0.78 3h4mC1 LEU 175 HD23 0.00 0.06 -0.03 -0.04 0.89 0.88 3h4mC1 GLU 176 H -0.00 0.10 -0.17 -0.55 8.60 7.98 3h4mC1 GLU 176 HA -0.01 0.13 0.29 -0.75 4.29 3.94 3h4mC1 GLU 176 HB2 -0.01 0.09 0.00 -0.04 2.09 2.12 3h4mC1 GLU 176 HB3 -0.01 0.08 0.07 -0.04 1.99 2.09 3h4mC1 GLU 176 HG2 -0.00 -0.10 -0.04 -0.04 2.34 2.15 3h4mC1 GLU 176 HG3 -0.01 0.07 0.01 -0.04 2.34 2.38 3h4mC1 LYS 177 H -0.01 0.08 -0.17 -0.55 8.42 7.77 3h4mC1 LYS 177 HA -0.01 0.11 0.22 -0.75 4.32 3.88 3h4mC1 LYS 177 HB2 -0.01 -0.01 0.09 -0.04 1.87 1.90 3h4mC1 LYS 177 HB3 -0.00 0.08 0.01 -0.04 1.79 1.83 3h4mC1 LYS 177 HG2 -0.01 0.03 -0.01 -0.04 1.46 1.43 3h4mC1 LYS 177 HG3 -0.01 -0.05 0.03 -0.04 1.46 1.39 3h4mC1 LYS 177 HD2 -0.00 0.02 0.01 -0.04 1.69 1.68 3h4mC1 LYS 177 HD3 -0.00 0.05 0.00 -0.04 1.68 1.69 3h4mC1 LYS 177 HE2 -0.01 0.01 -0.00 -0.04 2.99 2.95 3h4mC1 LYS 177 HE3 -0.00 -0.04 0.00 -0.04 2.99 2.91 3h4mC1 GLN 178 H -0.01 0.10 -0.05 -0.55 8.47 7.97 3h4mC1 GLN 178 HA 0.00 0.07 0.55 -0.75 4.36 4.23 3h4mC1 GLN 178 HB2 0.01 0.02 -0.02 -0.04 2.15 2.12 3h4mC1 GLN 178 HB3 -0.01 0.13 0.14 -0.04 2.02 2.24 3h4mC1 GLN 178 HG2 0.00 0.05 0.10 -0.04 2.40 2.51 3h4mC1 GLN 178 HG3 -0.00 0.06 0.04 -0.04 2.39 2.45 3h4mC1 GLN 178 HE21 -0.02 -0.04 0.04 -0.04 6.97 6.91 3h4mC1 GLN 178 HE22 -0.03 0.28 0.13 -0.04 7.69 8.03 3h4mC1 MET 179 H 0.00 0.71 -0.14 -0.55 8.47 8.49 3h4mC1 MET 179 HA 0.03 -0.02 0.35 -0.75 4.52 4.13 3h4mC1 MET 179 HB2 0.02 -0.00 -0.02 -0.04 2.15 2.10 3h4mC1 MET 179 HB3 -0.03 0.14 -0.05 -0.04 2.03 2.05 3h4mC1 MET 179 HG2 -0.04 -0.03 0.05 -0.04 2.63 2.57 3h4mC1 MET 179 HG3 0.11 -0.04 -0.01 -0.04 2.56 2.58 3h4mC1 MET 179 HE3 -0.18 -0.00 -0.12 -0.04 2.10 1.75 3h4mC1 GLN 180 H -0.03 0.27 -0.38 -0.55 8.47 7.78 3h4mC1 GLN 180 HA -0.08 0.07 0.70 -0.75 4.36 4.29 3h4mC1 GLN 180 HB2 -0.05 -0.01 0.06 -0.04 2.15 2.11 3h4mC1 GLN 180 HB3 -0.03 0.07 0.21 -0.04 2.02 2.22 3h4mC1 GLN 180 HG2 -0.02 -0.03 -0.03 -0.04 2.40 2.28 3h4mC1 GLN 180 HG3 -0.01 0.03 -0.29 -0.04 2.39 2.07 3h4mC1 GLN 180 HE21 -0.02 0.02 -0.03 -0.04 6.97 6.90 3h4mC1 GLN 180 HE22 -0.01 0.02 -0.06 -0.04 7.69 7.60 3h4mC1 GLU 181 H -0.00 0.78 0.19 -0.55 8.60 9.02 3h4mC1 GLU 181 HA 0.01 0.02 0.28 -0.75 4.29 3.85 3h4mC1 GLU 181 HB2 0.01 0.03 0.13 -0.04 2.09 2.22 3h4mC1 GLU 181 HB3 0.02 0.01 0.15 -0.04 1.99 2.13 3h4mC1 GLU 181 HG2 0.03 0.01 -0.04 -0.04 2.34 2.30 3h4mC1 GLU 181 HG3 0.02 0.00 0.03 -0.04 2.34 2.36 3h4mC1 ILE 182 H 0.02 0.62 -0.30 -0.55 8.25 8.04 3h4mC1 ILE 182 HA 0.05 0.09 0.44 -0.75 4.18 4.01 3h4mC1 ILE 182 HB 0.06 0.02 -0.01 -0.04 1.89 1.92 3h4mC1 ILE 182 HG12 0.08 -0.06 -0.06 -0.04 1.49 1.40 3h4mC1 ILE 182 HG13 0.08 0.00 -0.06 -0.04 1.21 1.19 3h4mC1 ILE 182 HG23 0.06 0.01 -0.09 -0.04 0.93 0.87 3h4mC1 ILE 182 HD13 0.11 -0.00 -0.17 -0.04 0.88 0.77 3h4mC1 ARG 183 H -0.00 0.37 -0.34 -0.55 8.46 7.93 3h4mC1 ARG 183 HA 0.05 -0.02 0.48 -0.75 4.34 4.10 3h4mC1 ARG 183 HB2 -0.10 0.27 0.30 -0.04 1.90 2.33 3h4mC1 ARG 183 HB3 -0.06 0.01 0.04 -0.04 1.80 1.76 3h4mC1 ARG 183 HG2 -0.06 -0.03 0.06 -0.04 1.67 1.60 3h4mC1 ARG 183 HG3 -0.02 -0.04 0.07 -0.04 1.67 1.64 3h4mC1 ARG 183 HD2 -0.81 0.06 0.05 -0.04 3.22 2.48 3h4mC1 ARG 183 HD3 -0.34 -0.01 0.05 -0.04 3.22 2.87 3h4mC1 GLU 184 H 0.02 0.55 -0.14 -0.55 8.60 8.49 3h4mC1 GLU 184 HA 0.07 0.07 0.64 -0.75 4.29 4.32 3h4mC1 GLU 184 HB2 0.04 -0.00 0.14 -0.04 2.09 2.23 3h4mC1 GLU 184 HB3 0.02 -0.04 0.05 -0.04 1.99 1.97 3h4mC1 GLU 184 HG2 0.02 0.11 -0.01 -0.04 2.34 2.43 3h4mC1 GLU 184 HG3 0.04 0.08 -0.17 -0.04 2.34 2.26 3h4mC1 VAL 185 H 0.06 -0.01 -0.70 -0.55 8.24 7.04 3h4mC1 VAL 185 HA 0.10 0.20 0.89 -0.75 4.13 4.56 3h4mC1 VAL 185 HB 0.05 0.17 0.11 -0.04 2.12 2.40 3h4mC1 VAL 185 HG13 0.03 -0.02 -0.12 -0.04 0.97 0.81 3h4mC1 VAL 185 HG23 0.06 -0.03 -0.12 -0.04 0.95 0.81 3h4mC1 VAL 186 H 0.05 0.22 0.18 -0.55 8.24 8.15 3h4mC1 VAL 186 HA -0.01 0.26 0.74 -0.75 4.13 4.36 3h4mC1 VAL 186 HB 0.01 0.08 0.02 -0.04 2.12 2.19 3h4mC1 VAL 186 HG13 0.05 0.05 -0.13 -0.04 0.97 0.90 3h4mC1 VAL 186 HG23 0.06 -0.02 -0.20 -0.04 0.95 0.75 3h4mC1 GLU 187 H 0.07 0.07 0.22 -0.55 8.60 8.42 3h4mC1 GLU 187 HA 0.08 0.17 0.67 -0.75 4.29 4.45 3h4mC1 GLU 187 HB2 0.11 -0.12 0.23 -0.04 2.09 2.26 3h4mC1 GLU 187 HB3 0.08 0.18 0.24 -0.04 1.99 2.45 3h4mC1 GLU 187 HG2 0.10 0.04 0.00 -0.04 2.34 2.45 3h4mC1 GLU 187 HG3 0.19 -0.02 0.03 -0.04 2.34 2.49 3h4mC1 LEU 188 H 0.11 0.47 0.14 -0.55 8.37 8.54 3h4mC1 LEU 188 HA 0.18 0.02 0.38 -0.75 4.35 4.18 3h4mC1 LEU 188 HB2 0.15 0.06 0.18 -0.04 1.64 1.99 3h4mC1 LEU 188 HB3 0.34 0.12 -0.08 -0.04 1.64 1.98 3h4mC1 LEU 188 HG 0.20 0.02 -0.08 -0.04 1.64 1.73 3h4mC1 LEU 188 HD13 0.16 -0.02 0.02 -0.04 0.93 1.04 3h4mC1 LEU 188 HD23 0.04 0.02 0.02 -0.04 0.89 0.93 3h4mC1 PRO 189 HA 0.01 0.05 0.10 -0.51 4.44 4.09 3h4mC1 PRO 189 HB2 -0.20 0.10 -0.22 -0.04 2.28 1.92 3h4mC1 PRO 189 HB3 -0.65 0.02 0.01 -0.04 2.02 1.35 3h4mC1 PRO 189 HG2 -0.17 0.40 -0.20 -0.04 2.03 2.01 3h4mC1 PRO 189 HG3 -0.45 0.03 -0.12 -0.04 2.03 1.44 3h4mC1 PRO 189 HD2 0.02 -0.01 -0.86 -0.04 3.68 2.80 3h4mC1 PRO 189 HD3 0.15 0.01 -0.36 -0.04 3.65 3.41 3h4mC1 LEU 190 H 0.03 0.23 -0.95 -0.55 8.37 7.13 3h4mC1 LEU 190 HA -0.02 0.06 0.66 -0.75 4.35 4.30 3h4mC1 LEU 190 HB2 0.01 0.22 0.05 -0.04 1.64 1.88 3h4mC1 LEU 190 HB3 0.02 0.05 0.00 -0.04 1.64 1.66 3h4mC1 LEU 190 HG 0.01 0.05 -0.00 -0.04 1.64 1.66 3h4mC1 LEU 190 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.85 3h4mC1 LEU 190 HD23 0.02 -0.01 -0.06 -0.04 0.89 0.80 3h4mC1 LYS 191 H 0.03 0.39 0.03 -0.55 8.42 8.32 3h4mC1 LYS 191 HA -0.14 0.15 0.77 -0.75 4.32 4.35 3h4mC1 LYS 191 HB2 0.04 0.04 0.13 -0.04 1.87 2.04 3h4mC1 LYS 191 HB3 -0.28 -0.09 -0.01 -0.04 1.79 1.38 3h4mC1 LYS 191 HG2 -0.08 -0.01 0.07 -0.04 1.46 1.40 3h4mC1 LYS 191 HG3 -0.01 0.05 -0.01 -0.04 1.46 1.44 3h4mC1 LYS 191 HD2 0.08 -0.05 -0.08 -0.04 1.69 1.60 3h4mC1 LYS 191 HD3 0.08 -0.07 -0.01 -0.04 1.68 1.63 3h4mC1 LYS 191 HE2 0.03 -0.00 0.03 -0.04 2.99 3.01 3h4mC1 LYS 191 HE3 0.05 0.14 -0.05 -0.04 2.99 3.08 3h4mC1 HIS 192 H 0.12 0.74 -0.02 -0.55 8.41 8.70 3h4mC1 HIS 192 HA 0.06 0.20 0.97 -0.75 4.63 5.10 3h4mC1 HIS 192 HB2 0.11 0.05 0.10 -0.04 3.26 3.47 3h4mC1 HIS 192 HB3 0.06 -0.20 0.12 -0.04 3.20 3.14 3h4mC1 HIS 192 HD2 0.03 -0.07 0.04 -0.04 6.97 6.92 3h4mC1 HIS 192 HE1 0.03 -0.02 -0.04 -0.04 7.75 7.67 3h4mC1 PRO 193 HA 0.11 0.12 0.48 -0.51 4.44 4.64 3h4mC1 PRO 193 HB2 0.03 -0.01 0.01 -0.04 2.28 2.28 3h4mC1 PRO 193 HB3 0.00 -0.02 0.18 -0.04 2.02 2.14 3h4mC1 PRO 193 HG2 0.00 0.06 0.02 -0.04 2.03 2.07 3h4mC1 PRO 193 HG3 -0.00 0.23 -0.01 -0.04 2.03 2.21 3h4mC1 PRO 193 HD2 0.03 0.00 0.08 -0.04 3.68 3.76 3h4mC1 PRO 193 HD3 -0.02 0.30 -0.58 -0.04 3.65 3.31 3h4mC1 GLU 194 H 0.10 0.20 -0.14 -0.55 8.60 8.22 3h4mC1 GLU 194 HA 0.06 0.10 0.42 -0.75 4.29 4.12 3h4mC1 GLU 194 HB2 0.07 0.02 -0.05 -0.04 2.09 2.09 3h4mC1 GLU 194 HB3 0.05 0.03 0.08 -0.04 1.99 2.11 3h4mC1 GLU 194 HG2 0.05 0.04 0.04 -0.04 2.34 2.43 3h4mC1 GLU 194 HG3 0.05 0.02 0.07 -0.04 2.34 2.43 3h4mC1 LEU 195 H 0.15 0.18 -0.36 -0.55 8.37 7.80 3h4mC1 LEU 195 HA 0.00 0.03 0.40 -0.75 4.35 4.03 3h4mC1 LEU 195 HB2 -0.03 -0.03 0.06 -0.04 1.64 1.60 3h4mC1 LEU 195 HB3 0.10 0.22 0.11 -0.04 1.64 2.03 3h4mC1 LEU 195 HG -0.29 0.06 -0.36 -0.04 1.64 1.00 3h4mC1 LEU 195 HD13 -0.13 -0.02 -0.00 -0.04 0.93 0.73 3h4mC1 LEU 195 HD23 -0.14 0.00 -0.03 -0.04 0.89 0.68 3h4mC1 PHE 196 H 0.32 0.33 -0.16 -0.55 8.34 8.28 3h4mC1 PHE 196 HA 0.01 0.01 0.51 -0.75 4.62 4.39 3h4mC1 PHE 196 HB2 0.01 0.09 0.20 -0.04 3.15 3.41 3h4mC1 PHE 196 HB3 0.00 0.25 0.11 -0.04 3.06 3.38 3h4mC1 PHE 196 HD2 0.02 0.16 -0.05 -0.04 7.28 7.36 3h4mC1 PHE 196 HE2 0.02 -0.06 -0.20 -0.04 7.38 7.10 3h4mC1 PHE 196 HZ 0.02 0.07 -0.06 -0.04 7.32 7.30 3h4mC1 GLU 197 H 0.14 0.26 -0.33 -0.55 8.60 8.12 3h4mC1 GLU 197 HA 0.07 0.05 0.37 -0.75 4.29 4.02 3h4mC1 GLU 197 HB2 0.06 0.03 0.13 -0.04 2.09 2.27 3h4mC1 GLU 197 HB3 0.05 0.09 0.20 -0.04 1.99 2.28 3h4mC1 GLU 197 HG2 0.02 -0.01 -0.13 -0.04 2.34 2.19 3h4mC1 GLU 197 HG3 0.03 -0.00 0.03 -0.04 2.34 2.35 3h4mC1 LYS 198 H 0.03 0.56 0.04 -0.55 8.42 8.49 3h4mC1 LYS 198 HA 0.01 0.00 0.37 -0.75 4.32 3.94 3h4mC1 LYS 198 HB2 -0.01 0.03 0.15 -0.04 1.87 2.00 3h4mC1 LYS 198 HB3 -0.01 -0.03 -0.03 -0.04 1.79 1.68 3h4mC1 LYS 198 HG2 -0.00 -0.05 0.02 -0.04 1.46 1.38 3h4mC1 LYS 198 HG3 0.01 -0.01 0.04 -0.04 1.46 1.45 3h4mC1 LYS 198 HD2 0.02 -0.02 0.01 -0.04 1.69 1.66 3h4mC1 LYS 198 HD3 0.01 0.13 -0.04 -0.04 1.68 1.75 3h4mC1 LYS 198 HE2 0.00 -0.01 -0.02 -0.04 2.99 2.91 3h4mC1 LYS 198 HE3 0.01 -0.02 -0.02 -0.04 2.99 2.92 3h4mC1 VAL 199 H -0.03 0.46 -0.21 -0.55 8.24 7.92 3h4mC1 VAL 199 HA -0.03 -0.04 0.44 -0.75 4.13 3.75 3h4mC1 VAL 199 HB -0.10 0.08 0.17 -0.04 2.12 2.24 3h4mC1 VAL 199 HG13 -0.06 -0.03 -0.08 -0.04 0.97 0.76 3h4mC1 VAL 199 HG23 -0.12 -0.01 0.04 -0.04 0.95 0.82 3h4mC1 GLY 200 H 0.03 0.58 -0.15 -0.55 8.43 8.34 3h4mC1 GLY 200 HA2 0.03 0.07 0.30 -0.51 4.01 3.89 3h4mC1 GLY 200 HA3 0.02 0.05 0.61 -0.51 4.01 4.17 3h4mC1 ILE 201 H 0.09 0.34 0.10 -0.55 8.25 8.23 3h4mC1 ILE 201 HA 0.06 0.15 0.91 -0.75 4.18 4.54 3h4mC1 ILE 201 HB 0.10 0.03 -0.02 -0.04 1.89 1.95 3h4mC1 ILE 201 HG12 0.06 -0.03 -0.05 -0.04 1.49 1.43 3h4mC1 ILE 201 HG13 0.35 0.00 -0.10 -0.04 1.21 1.42 3h4mC1 ILE 201 HG23 0.03 0.00 -0.21 -0.04 0.93 0.72 3h4mC1 ILE 201 HD13 0.12 -0.01 -0.10 -0.04 0.88 0.85 3h4mC1 GLU 202 H 0.05 0.11 0.10 -0.55 8.60 8.32 3h4mC1 GLU 202 HA 0.01 0.13 0.73 -0.75 4.29 4.41 3h4mC1 GLU 202 HB2 -0.00 -0.09 0.11 -0.04 2.09 2.07 3h4mC1 GLU 202 HB3 -0.03 0.21 -0.04 -0.04 1.99 2.08 3h4mC1 GLU 202 HG2 -0.04 0.00 -0.03 -0.04 2.34 2.24 3h4mC1 GLU 202 HG3 0.00 -0.06 -0.12 -0.04 2.34 2.12 3h4mC1 PRO 203 HA -0.29 0.02 0.37 -0.51 4.44 4.04 3h4mC1 PRO 203 HB2 -0.29 0.27 -0.05 -0.04 2.28 2.17 3h4mC1 PRO 203 HB3 -0.80 -0.09 0.09 -0.04 2.02 1.18 3h4mC1 PRO 203 HG2 -0.18 0.19 -0.01 -0.04 2.03 1.99 3h4mC1 PRO 203 HG3 -0.28 -0.08 -0.01 -0.04 2.03 1.63 3h4mC1 PRO 203 HD2 -0.10 0.02 0.26 -0.04 3.68 3.82 3h4mC1 PRO 203 HD3 -0.27 0.12 0.23 -0.04 3.65 3.69 3h4mC1 PRO 204 HA -0.06 0.08 0.71 -0.51 4.44 4.66 3h4mC1 PRO 204 HB2 -0.06 0.01 -0.15 -0.04 2.28 2.03 3h4mC1 PRO 204 HB3 -0.03 -0.09 0.10 -0.04 2.02 1.96 3h4mC1 PRO 204 HG2 -0.02 0.03 0.06 -0.04 2.03 2.05 3h4mC1 PRO 204 HG3 -0.00 -0.02 0.08 -0.04 2.03 2.04 3h4mC1 PRO 204 HD2 -0.13 0.25 0.26 -0.04 3.68 4.01 3h4mC1 PRO 204 HD3 -0.07 0.05 0.23 -0.04 3.65 3.82 3h4mC1 LYS 205 H -0.09 0.15 0.21 -0.55 8.42 8.13 3h4mC1 LYS 205 HA -0.10 0.14 0.66 -0.75 4.32 4.27 3h4mC1 LYS 205 HB2 -0.11 0.07 0.38 -0.04 1.87 2.16 3h4mC1 LYS 205 HB3 -0.09 -0.06 0.15 -0.04 1.79 1.75 3h4mC1 LYS 205 HG2 -0.07 0.08 0.10 -0.04 1.46 1.52 3h4mC1 LYS 205 HG3 -0.06 -0.03 0.19 -0.04 1.46 1.51 3h4mC1 LYS 205 HD2 -0.05 0.19 0.23 -0.04 1.69 2.02 3h4mC1 LYS 205 HD3 -0.05 0.03 0.17 -0.04 1.68 1.79 3h4mC1 LYS 205 HE2 -0.06 -0.06 -0.09 -0.04 2.99 2.73 3h4mC1 LYS 205 HE3 -0.05 -0.09 0.03 -0.04 2.99 2.84 3h4mC1 GLY 206 H -0.23 0.41 0.27 -0.55 8.43 8.34 3h4mC1 GLY 206 HA2 -0.33 0.32 1.08 -0.51 4.01 4.57 3h4mC1 GLY 206 HA3 -0.88 -0.06 0.22 -0.51 4.01 2.78 3h4mC1 ILE 207 H -0.16 0.54 0.40 -0.55 8.25 8.49 3h4mC1 ILE 207 HA 0.03 0.25 1.08 -0.75 4.18 4.79 3h4mC1 ILE 207 HB 0.06 -0.06 0.04 -0.04 1.89 1.89 3h4mC1 ILE 207 HG12 0.07 0.01 -0.08 -0.04 1.49 1.46 3h4mC1 ILE 207 HG13 0.12 -0.03 -0.59 -0.04 1.21 0.67 3h4mC1 ILE 207 HG23 -0.01 0.03 -0.19 -0.04 0.93 0.72 3h4mC1 ILE 207 HD13 0.08 -0.02 -0.14 -0.04 0.88 0.76 3h4mC1 LEU 208 H 0.18 0.34 0.18 -0.55 8.37 8.52 3h4mC1 LEU 208 HA 0.27 0.16 1.05 -0.75 4.35 5.07 3h4mC1 LEU 208 HB2 0.40 0.04 -0.14 -0.04 1.64 1.90 3h4mC1 LEU 208 HB3 0.22 0.16 0.20 -0.04 1.64 2.18 3h4mC1 LEU 208 HG 0.15 -0.05 -0.39 -0.04 1.64 1.31 3h4mC1 LEU 208 HD13 -0.07 -0.01 -0.15 -0.04 0.93 0.66 3h4mC1 LEU 208 HD23 0.01 0.01 -0.12 -0.04 0.89 0.75 3h4mC1 LEU 209 H 0.13 0.67 0.40 -0.55 8.37 9.02 3h4mC1 LEU 209 HA 0.11 0.33 1.03 -0.75 4.35 5.07 3h4mC1 LEU 209 HB2 0.16 0.16 0.19 -0.04 1.64 2.10 3h4mC1 LEU 209 HB3 0.13 -0.14 0.04 -0.04 1.64 1.63 3h4mC1 LEU 209 HG 0.10 -0.01 -0.08 -0.04 1.64 1.60 3h4mC1 LEU 209 HD13 0.11 0.03 -0.21 -0.04 0.93 0.82 3h4mC1 LEU 209 HD23 0.24 -0.05 -0.06 -0.04 0.89 0.98 3h4mC1 TYR 210 H -0.01 0.69 0.38 -0.55 8.29 8.81 3h4mC1 TYR 210 HA 0.03 0.31 1.32 -0.75 4.56 5.47 3h4mC1 TYR 210 HB2 0.01 0.01 0.06 -0.04 3.06 3.10 3h4mC1 TYR 210 HB3 0.02 -0.03 -0.18 -0.04 2.98 2.74 3h4mC1 TYR 210 HD2 0.02 0.03 -0.22 -0.04 7.15 6.94 3h4mC1 TYR 210 HE2 0.02 0.04 -0.15 -0.04 6.85 6.72 3h4mC1 GLY 211 H 0.15 0.48 0.37 -0.55 8.43 8.89 3h4mC1 GLY 211 HA2 0.08 -0.02 0.37 -0.51 4.01 3.93 3h4mC1 GLY 211 HA3 0.01 0.37 0.63 -0.51 4.01 4.51 3h4mC1 PRO 212 HA 0.04 0.07 0.66 -0.51 4.44 4.70 3h4mC1 PRO 212 HB2 0.03 0.10 0.05 -0.04 2.28 2.42 3h4mC1 PRO 212 HB3 0.03 0.04 0.20 -0.04 2.02 2.25 3h4mC1 PRO 212 HG2 0.03 -0.01 0.10 -0.04 2.03 2.11 3h4mC1 PRO 212 HG3 0.03 0.06 0.14 -0.04 2.03 2.22 3h4mC1 PRO 212 HD2 0.04 0.08 0.33 -0.04 3.68 4.08 3h4mC1 PRO 212 HD3 0.06 0.16 0.19 -0.04 3.65 4.02 3h4mC1 PRO 213 HA 0.05 -0.01 0.44 -0.51 4.44 4.41 3h4mC1 PRO 213 HB2 0.04 0.02 0.02 -0.04 2.28 2.32 3h4mC1 PRO 213 HB3 0.04 -0.00 0.12 -0.04 2.02 2.14 3h4mC1 PRO 213 HG2 0.03 0.06 0.07 -0.04 2.03 2.15 3h4mC1 PRO 213 HG3 0.03 0.07 0.10 -0.04 2.03 2.19 3h4mC1 PRO 213 HD2 0.03 0.15 0.25 -0.04 3.68 4.07 3h4mC1 PRO 213 HD3 0.03 0.11 0.25 -0.04 3.65 4.00 3h4mC1 GLY 214 H 0.05 0.04 0.20 -0.55 8.43 8.18 3h4mC1 GLY 214 HA2 0.03 0.01 0.36 -0.51 4.01 3.90 3h4mC1 GLY 214 HA3 0.02 0.13 0.41 -0.51 4.01 4.06 3h4mC1 THR 215 H 0.04 -0.06 0.05 -0.55 8.28 7.76 3h4mC1 THR 215 HA 0.03 0.07 1.03 -0.75 4.39 4.76 3h4mC1 THR 215 HB 0.03 -0.02 -0.16 -0.04 4.32 4.13 3h4mC1 THR 215 HG23 0.02 0.06 -0.08 -0.04 1.22 1.17 3h4mC1 GLY 216 H 0.04 -0.21 0.16 -0.55 8.43 7.88 3h4mC1 GLY 216 HA2 0.01 -0.05 0.25 -0.51 4.01 3.71 3h4mC1 GLY 216 HA3 0.02 0.39 0.86 -0.51 4.01 4.77 3h4mC1 LYS 217 H 0.08 -0.01 0.10 -0.55 8.42 8.04 3h4mC1 LYS 217 HA 0.12 0.20 0.44 -0.75 4.32 4.33 3h4mC1 LYS 217 HB2 0.22 -0.15 0.11 -0.04 1.87 2.02 3h4mC1 LYS 217 HB3 0.36 0.10 -0.04 -0.04 1.79 2.16 3h4mC1 LYS 217 HG2 0.12 0.09 -0.09 -0.04 1.46 1.54 3h4mC1 LYS 217 HG3 0.09 -0.05 -0.03 -0.04 1.46 1.44 3h4mC1 LYS 217 HD2 0.15 -0.12 -0.02 -0.04 1.69 1.65 3h4mC1 LYS 217 HD3 0.10 0.17 -0.18 -0.04 1.68 1.74 3h4mC1 LYS 217 HE2 0.08 0.22 -0.17 -0.04 2.99 3.08 3h4mC1 LYS 217 HE3 0.07 0.16 -0.16 -0.04 2.99 3.02 3h4mC1 THR 218 H 0.04 -0.01 -0.10 -0.55 8.28 7.66 3h4mC1 THR 218 HA -1.03 0.16 0.36 -0.75 4.39 3.13 3h4mC1 THR 218 HB -0.10 -0.00 -0.01 -0.04 4.32 4.17 3h4mC1 THR 218 HG23 -0.25 0.04 -0.09 -0.04 1.22 0.89 3h4mC1 LEU 219 H -0.07 -0.11 -0.30 -0.55 8.37 7.34 3h4mC1 LEU 219 HA -0.16 0.08 0.16 -0.75 4.35 3.68 3h4mC1 LEU 219 HB2 -0.02 -0.03 0.08 -0.04 1.64 1.62 3h4mC1 LEU 219 HB3 -0.04 0.10 -0.12 -0.04 1.64 1.54 3h4mC1 LEU 219 HG -0.01 -0.14 -0.04 -0.04 1.64 1.41 3h4mC1 LEU 219 HD13 0.01 0.04 -0.09 -0.04 0.93 0.85 3h4mC1 LEU 219 HD23 -0.07 0.00 -0.09 -0.04 0.89 0.69 3h4mC1 LEU 220 H -0.02 0.59 -0.33 -0.55 8.37 8.05 3h4mC1 LEU 220 HA 0.03 0.05 0.48 -0.75 4.35 4.16 3h4mC1 LEU 220 HB2 0.06 0.09 0.11 -0.04 1.64 1.85 3h4mC1 LEU 220 HB3 0.08 -0.00 -0.09 -0.04 1.64 1.59 3h4mC1 LEU 220 HG 0.04 0.03 -0.02 -0.04 1.64 1.65 3h4mC1 LEU 220 HD13 0.06 -0.02 -0.16 -0.04 0.93 0.77 3h4mC1 LEU 220 HD23 0.09 -0.01 -0.06 -0.04 0.89 0.88 3h4mC1 ALA 221 H -0.03 0.44 -0.08 -0.55 8.40 8.18 3h4mC1 ALA 221 HA 0.13 0.02 0.30 -0.75 4.34 4.04 3h4mC1 ALA 221 HB3 0.00 0.02 0.05 -0.04 1.41 1.44 3h4mC1 LYS 222 H -0.25 0.52 -0.42 -0.55 8.42 7.72 3h4mC1 LYS 222 HA -0.48 0.08 0.42 -0.75 4.32 3.59 3h4mC1 LYS 222 HB2 -0.36 0.05 -0.02 -0.04 1.87 1.50 3h4mC1 LYS 222 HB3 -0.48 -0.06 -0.06 -0.04 1.79 1.15 3h4mC1 LYS 222 HG2 -2.43 0.01 -0.12 -0.04 1.46 -1.12 3h4mC1 LYS 222 HG3 -0.71 0.07 -0.17 -0.04 1.46 0.61 3h4mC1 LYS 222 HD2 -0.38 -0.03 -0.13 -0.04 1.69 1.10 3h4mC1 LYS 222 HD3 -0.62 0.04 -0.08 -0.04 1.68 0.98 3h4mC1 LYS 222 HE2 -0.47 0.01 -0.12 -0.04 2.99 2.37 3h4mC1 LYS 222 HE3 -0.25 -0.11 -0.14 -0.04 2.99 2.44 3h4mC1 ALA 223 H -0.15 0.47 -0.12 -0.55 8.40 8.05 3h4mC1 ALA 223 HA -0.30 0.25 0.45 -0.75 4.34 3.98 3h4mC1 ALA 223 HB3 -0.33 -0.03 0.03 -0.04 1.41 1.03 3h4mC1 VAL 224 H -0.03 0.56 -0.22 -0.55 8.24 8.00 3h4mC1 VAL 224 HA 0.08 0.01 0.42 -0.75 4.13 3.89 3h4mC1 VAL 224 HB 0.09 0.10 0.01 -0.04 2.12 2.27 3h4mC1 VAL 224 HG13 0.10 -0.00 -0.28 -0.04 0.97 0.75 3h4mC1 VAL 224 HG23 0.18 0.01 -0.12 -0.04 0.95 0.97 3h4mC1 ALA 225 H 0.05 0.48 -0.10 -0.55 8.40 8.28 3h4mC1 ALA 225 HA 0.06 0.00 0.29 -0.75 4.34 3.94 3h4mC1 ALA 225 HB3 0.16 0.06 -0.00 -0.04 1.41 1.58 3h4mC1 THR 226 H -0.10 0.30 -0.66 -0.55 8.28 7.28 3h4mC1 THR 226 HA -0.06 0.11 0.52 -0.75 4.39 4.21 3h4mC1 THR 226 HB -0.20 0.22 0.21 -0.04 4.32 4.50 3h4mC1 THR 226 HG23 -0.11 -0.04 -0.17 -0.04 1.22 0.85 3h4mC1 GLU 227 H -0.13 0.50 0.09 -0.55 8.60 8.51 3h4mC1 GLU 227 HA -0.02 -0.00 0.43 -0.75 4.29 3.95 3h4mC1 GLU 227 HB2 -0.07 -0.02 0.19 -0.04 2.09 2.16 3h4mC1 GLU 227 HB3 0.11 0.06 0.11 -0.04 1.99 2.23 3h4mC1 GLU 227 HG2 0.28 -0.07 0.03 -0.04 2.34 2.54 3h4mC1 GLU 227 HG3 0.10 0.05 0.07 -0.04 2.34 2.53 3h4mC1 THR 228 H 0.00 0.28 -0.58 -0.55 8.28 7.44 3h4mC1 THR 228 HA 0.02 0.17 0.79 -0.75 4.39 4.61 3h4mC1 THR 228 HB 0.02 0.02 0.04 -0.04 4.32 4.37 3h4mC1 THR 228 HG23 0.05 -0.00 -0.08 -0.04 1.22 1.15 3h4mC1 ASN 229 H -0.00 0.31 -0.32 -0.55 8.53 7.97 3h4mC1 ASN 229 HA -0.00 0.04 0.41 -0.75 4.76 4.45 3h4mC1 ASN 229 HB2 0.00 0.08 -0.03 -0.04 2.88 2.89 3h4mC1 ASN 229 HB3 0.00 -0.07 0.21 -0.04 2.79 2.88 3h4mC1 ASN 229 HD21 -0.01 -0.06 0.03 -0.04 7.03 6.95 3h4mC1 ASN 229 HD22 -0.01 -0.04 0.07 -0.04 7.74 7.73 3h4mC1 ALA 230 H 0.02 0.19 -0.26 -0.55 8.40 7.80 3h4mC1 ALA 230 HA 0.02 0.36 0.81 -0.75 4.34 4.78 3h4mC1 ALA 230 HB3 0.03 -0.06 -0.21 -0.04 1.41 1.14 3h4mC1 THR 231 H 0.03 0.75 0.45 -0.55 8.28 8.96 3h4mC1 THR 231 HA 0.05 0.00 0.64 -0.75 4.39 4.33 3h4mC1 THR 231 HB 0.01 0.01 0.13 -0.04 4.32 4.43 3h4mC1 THR 231 HG23 0.02 -0.05 -0.14 -0.04 1.22 1.02 3h4mC1 PHE 232 H 0.17 0.53 0.22 -0.55 8.34 8.71 3h4mC1 PHE 232 HA -0.00 0.08 0.70 -0.75 4.62 4.64 3h4mC1 PHE 232 HB2 -0.03 0.05 0.06 -0.04 3.15 3.19 3h4mC1 PHE 232 HB3 -0.02 0.08 0.18 -0.04 3.06 3.25 3h4mC1 PHE 232 HD2 -0.03 0.08 -0.19 -0.04 7.28 7.09 3h4mC1 PHE 232 HE2 -0.12 -0.10 -0.27 -0.04 7.38 6.84 3h4mC1 PHE 232 HZ -0.56 -0.13 -0.12 -0.04 7.32 6.47 3h4mC1 ILE 233 H -0.46 0.53 0.29 -0.55 8.25 8.06 3h4mC1 ILE 233 HA -0.09 0.23 0.98 -0.75 4.18 4.55 3h4mC1 ILE 233 HB -0.18 0.02 0.19 -0.04 1.89 1.88 3h4mC1 ILE 233 HG12 -0.05 -0.06 -0.15 -0.04 1.49 1.19 3h4mC1 ILE 233 HG13 -0.07 0.05 -0.53 -0.04 1.21 0.62 3h4mC1 ILE 233 HG23 -0.10 -0.03 -0.29 -0.04 0.93 0.47 3h4mC1 ILE 233 HD13 -0.08 0.01 -0.16 -0.04 0.88 0.61 3h4mC1 ARG 234 H -0.02 0.76 0.15 -0.55 8.46 8.80 3h4mC1 ARG 234 HA 0.00 0.19 0.88 -0.75 4.34 4.66 3h4mC1 ARG 234 HB2 0.37 0.02 0.00 -0.04 1.90 2.26 3h4mC1 ARG 234 HB3 0.15 -0.04 0.16 -0.04 1.80 2.03 3h4mC1 ARG 234 HG2 0.18 -0.02 -0.30 -0.04 1.67 1.49 3h4mC1 ARG 234 HG3 0.50 -0.04 -0.06 -0.04 1.67 2.02 3h4mC1 ARG 234 HD2 0.26 -0.05 -0.08 -0.04 3.22 3.31 3h4mC1 ARG 234 HD3 0.19 0.06 -0.06 -0.04 3.22 3.37 3h4mC1 VAL 235 H -0.02 0.71 0.40 -0.55 8.24 8.78 3h4mC1 VAL 235 HA -0.02 0.17 0.97 -0.75 4.13 4.49 3h4mC1 VAL 235 HB -0.08 -0.12 0.15 -0.04 2.12 2.04 3h4mC1 VAL 235 HG13 -0.04 0.02 -0.15 -0.04 0.97 0.76 3h4mC1 VAL 235 HG23 -0.11 0.08 -0.15 -0.04 0.95 0.73 3h4mC1 VAL 236 H 0.00 0.36 0.15 -0.55 8.24 8.20 3h4mC1 VAL 236 HA 0.01 0.07 0.84 -0.75 4.13 4.30 3h4mC1 VAL 236 HB 0.01 0.08 0.18 -0.04 2.12 2.35 3h4mC1 VAL 236 HG13 0.02 -0.05 -0.03 -0.04 0.97 0.88 3h4mC1 VAL 236 HG23 0.03 0.03 -0.03 -0.04 0.95 0.94 3h4mC1 GLY 237 H -0.02 0.61 0.26 -0.55 8.43 8.73 3h4mC1 GLY 237 HA2 -0.02 0.04 0.23 -0.51 4.01 3.75 3h4mC1 GLY 237 HA3 -0.03 0.32 0.40 -0.51 4.01 4.19 3h4mC1 SER 238 H -0.00 0.08 -0.04 -0.55 8.46 7.94 3h4mC1 SER 238 HA -0.00 0.11 0.43 -0.75 4.49 4.28 3h4mC1 SER 238 HB2 0.01 0.06 0.08 -0.04 3.95 4.05 3h4mC1 SER 238 HB3 0.00 -0.02 0.11 -0.04 3.93 3.99 3h4mC1 GLU 239 H 0.00 0.21 -0.50 -0.55 8.60 7.77 3h4mC1 GLU 239 HA 0.01 0.10 0.63 -0.75 4.29 4.28 3h4mC1 GLU 239 HB2 0.01 0.12 0.13 -0.04 2.09 2.30 3h4mC1 GLU 239 HB3 0.01 0.14 0.10 -0.04 1.99 2.19 3h4mC1 GLU 239 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 3h4mC1 GLU 239 HG3 0.01 -0.16 -0.05 -0.04 2.34 2.10 3h4mC1 LEU 240 H 0.00 0.34 -0.27 -0.55 8.37 7.89 3h4mC1 LEU 240 HA 0.01 0.17 0.65 -0.75 4.35 4.43 3h4mC1 LEU 240 HB2 -0.00 0.13 0.11 -0.04 1.64 1.84 3h4mC1 LEU 240 HB3 0.01 -0.06 -0.03 -0.04 1.64 1.52 3h4mC1 LEU 240 HG -0.01 0.06 -0.09 -0.04 1.64 1.56 3h4mC1 LEU 240 HD13 -0.00 -0.02 -0.08 -0.04 0.93 0.78 3h4mC1 LEU 240 HD23 0.00 0.01 0.03 -0.04 0.89 0.90 3h4mC1 VAL 241 H 0.01 0.18 -0.22 -0.55 8.24 7.66 3h4mC1 VAL 241 HA 0.02 0.04 0.65 -0.75 4.13 4.09 3h4mC1 VAL 241 HB 0.01 0.08 0.20 -0.04 2.12 2.37 3h4mC1 VAL 241 HG13 0.01 -0.04 -0.05 -0.04 0.97 0.85 3h4mC1 VAL 241 HG23 0.00 0.02 0.06 -0.04 0.95 0.99 3h4mC1 LYS 242 H 0.04 0.40 0.07 -0.55 8.42 8.38 3h4mC1 LYS 242 HA 0.06 0.16 0.83 -0.75 4.32 4.61 3h4mC1 LYS 242 HB2 0.06 0.14 0.02 -0.04 1.87 2.05 3h4mC1 LYS 242 HB3 0.16 -0.17 -0.01 -0.04 1.79 1.72 3h4mC1 LYS 242 HG2 0.08 0.01 -0.02 -0.04 1.46 1.48 3h4mC1 LYS 242 HG3 0.11 -0.08 0.04 -0.04 1.46 1.49 3h4mC1 LYS 242 HD2 0.04 0.08 -0.45 -0.04 1.69 1.32 3h4mC1 LYS 242 HD3 0.03 0.17 -0.14 -0.04 1.68 1.70 3h4mC1 LYS 242 HE2 0.04 -0.04 -0.01 -0.04 2.99 2.95 3h4mC1 LYS 242 HE3 0.05 -0.09 0.01 -0.04 2.99 2.92 3h4mC1 LYS 243 H 0.04 0.24 0.03 -0.55 8.42 8.17 3h4mC1 LYS 243 HA 0.03 0.01 0.28 -0.75 4.32 3.89 3h4mC1 LYS 243 HB2 -0.01 -0.01 0.09 -0.04 1.87 1.89 3h4mC1 LYS 243 HB3 0.01 0.03 0.08 -0.04 1.79 1.87 3h4mC1 LYS 243 HG2 -0.04 0.00 -0.22 -0.04 1.46 1.16 3h4mC1 LYS 243 HG3 -0.03 0.01 -0.04 -0.04 1.46 1.36 3h4mC1 LYS 243 HD2 -0.01 0.04 0.02 -0.04 1.69 1.70 3h4mC1 LYS 243 HD3 0.02 0.01 0.10 -0.04 1.68 1.77 3h4mC1 LYS 243 HE2 -0.01 -0.04 -0.04 -0.04 2.99 2.86 3h4mC1 LYS 243 HE3 0.00 0.05 0.01 -0.04 2.99 3.01 3h4mC1 PHE 244 H 0.19 -0.04 -0.70 -0.55 8.34 7.24 3h4mC1 PHE 244 HA 0.00 0.02 0.41 -0.75 4.62 4.29 3h4mC1 PHE 244 HB2 0.00 -0.01 -0.05 -0.04 3.15 3.05 3h4mC1 PHE 244 HB3 0.00 -0.07 -0.17 -0.04 3.06 2.78 3h4mC1 PHE 244 HD2 0.00 -0.00 0.03 -0.04 7.28 7.27 3h4mC1 PHE 244 HE2 0.00 0.02 0.01 -0.04 7.38 7.37 3h4mC1 PHE 244 HZ 0.00 0.02 0.01 -0.04 7.32 7.30 3h4mC1 ILE 245 H 0.25 0.13 0.18 -0.55 8.25 8.26 3h4mC1 ILE 245 HA 0.09 0.08 0.55 -0.75 4.18 4.15 3h4mC1 ILE 245 HB 0.12 0.02 0.15 -0.04 1.89 2.14 3h4mC1 ILE 245 HG12 0.02 0.04 0.08 -0.04 1.49 1.59 3h4mC1 ILE 245 HG13 0.01 -0.07 0.18 -0.04 1.21 1.29 3h4mC1 ILE 245 HG23 0.04 0.01 0.00 -0.04 0.93 0.95 3h4mC1 ILE 245 HD13 0.01 0.01 0.05 -0.04 0.88 0.92 3h4mC1 GLY 246 H 0.06 0.17 0.24 -0.55 8.43 8.36 3h4mC1 GLY 246 HA2 0.03 0.00 0.37 -0.51 4.01 3.90 3h4mC1 GLY 246 HA3 0.03 0.12 0.34 -0.51 4.01 4.00 3h4mC1 GLU 247 H 0.08 0.20 -0.85 -0.55 8.60 7.48 3h4mC1 GLU 247 HA -0.05 0.15 0.63 -0.75 4.29 4.26 3h4mC1 GLU 247 HB2 -0.17 0.11 -0.13 -0.04 2.09 1.85 3h4mC1 GLU 247 HB3 -0.01 -0.00 -0.17 -0.04 1.99 1.77 3h4mC1 GLU 247 HG2 -0.18 -0.01 0.05 -0.04 2.34 2.16 3h4mC1 GLU 247 HG3 -0.53 0.01 -0.03 -0.04 2.34 1.75 3h4mC1 GLY 248 H 0.05 0.12 -0.03 -0.55 8.43 8.02 3h4mC1 GLY 248 HA2 0.03 0.18 0.56 -0.51 4.01 4.27 3h4mC1 GLY 248 HA3 0.03 0.05 0.35 -0.51 4.01 3.93 3h4mC1 ALA 249 H 0.02 0.06 -0.24 -0.55 8.40 7.70 3h4mC1 ALA 249 HA 0.02 0.14 0.51 -0.75 4.34 4.26 3h4mC1 ALA 249 HB3 0.02 0.02 -0.07 -0.04 1.41 1.33 3h4mC1 SER 250 H -0.00 0.08 -0.53 -0.55 8.46 7.47 3h4mC1 SER 250 HA -0.00 0.03 0.21 -0.75 4.49 3.98 3h4mC1 SER 250 HB2 -0.03 0.08 0.30 -0.04 3.95 4.27 3h4mC1 SER 250 HB3 -0.04 0.06 0.02 -0.04 3.93 3.93 3h4mC1 LEU 251 H -0.00 0.29 -0.46 -0.55 8.37 7.65 3h4mC1 LEU 251 HA -0.01 0.09 0.55 -0.75 4.35 4.23 3h4mC1 LEU 251 HB2 -0.00 0.09 0.00 -0.04 1.64 1.69 3h4mC1 LEU 251 HB3 -0.01 -0.02 0.05 -0.04 1.64 1.61 3h4mC1 LEU 251 HG -0.02 0.20 0.06 -0.04 1.64 1.84 3h4mC1 LEU 251 HD13 -0.02 0.00 -0.00 -0.04 0.93 0.87 3h4mC1 LEU 251 HD23 -0.05 -0.03 -0.10 -0.04 0.89 0.67 3h4mC1 VAL 252 H 0.03 0.33 -0.15 -0.55 8.24 7.90 3h4mC1 VAL 252 HA 0.06 0.03 0.42 -0.75 4.13 3.88 3h4mC1 VAL 252 HB 0.08 0.19 0.14 -0.04 2.12 2.48 3h4mC1 VAL 252 HG13 0.26 -0.01 -0.28 -0.04 0.97 0.90 3h4mC1 VAL 252 HG23 0.06 0.01 0.00 -0.04 0.95 0.99 3h4mC1 LYS 253 H 0.06 0.30 -0.22 -0.55 8.42 8.00 3h4mC1 LYS 253 HA 0.12 0.05 0.37 -0.75 4.32 4.11 3h4mC1 LYS 253 HB2 0.03 0.01 0.07 -0.04 1.87 1.94 3h4mC1 LYS 253 HB3 0.02 0.11 0.01 -0.04 1.79 1.89 3h4mC1 LYS 253 HG2 0.03 -0.04 0.03 -0.04 1.46 1.45 3h4mC1 LYS 253 HG3 0.01 0.00 0.03 -0.04 1.46 1.46 3h4mC1 LYS 253 HD2 0.00 -0.01 -0.01 -0.04 1.69 1.63 3h4mC1 LYS 253 HD3 0.00 0.02 -0.07 -0.04 1.68 1.60 3h4mC1 LYS 253 HE2 -0.00 -0.00 -0.02 -0.04 2.99 2.92 3h4mC1 LYS 253 HE3 -0.01 0.00 -0.01 -0.04 2.99 2.93 3h4mC1 ASP 254 H 0.03 0.22 -0.42 -0.55 8.40 7.68 3h4mC1 ASP 254 HA 0.01 0.02 0.40 -0.75 4.63 4.31 3h4mC1 ASP 254 HB2 -0.01 0.16 0.12 -0.04 2.71 2.94 3h4mC1 ASP 254 HB3 -0.01 -0.04 0.03 -0.04 2.70 2.64 3h4mC1 ILE 255 H 0.00 0.42 -0.10 -0.55 8.25 8.02 3h4mC1 ILE 255 HA -0.08 -0.00 0.30 -0.75 4.18 3.64 3h4mC1 ILE 255 HB -0.14 0.18 0.17 -0.04 1.89 2.05 3h4mC1 ILE 255 HG12 -0.08 -0.04 -0.03 -0.04 1.49 1.29 3h4mC1 ILE 255 HG13 -0.05 0.14 0.03 -0.04 1.21 1.30 3h4mC1 ILE 255 HG23 -0.39 -0.01 -0.19 -0.04 0.93 0.29 3h4mC1 ILE 255 HD13 -0.08 -0.01 -0.07 -0.04 0.88 0.67 3h4mC1 PHE 256 H 0.17 0.46 -0.14 -0.55 8.34 8.28 3h4mC1 PHE 256 HA -0.01 0.03 0.39 -0.75 4.62 4.27 3h4mC1 PHE 256 HB2 -0.01 0.05 0.09 -0.04 3.15 3.25 3h4mC1 PHE 256 HB3 0.00 -0.00 -0.03 -0.04 3.06 2.99 3h4mC1 PHE 256 HD2 0.02 0.09 -0.05 -0.04 7.28 7.30 3h4mC1 PHE 256 HE2 0.01 0.01 -0.09 -0.04 7.38 7.27 3h4mC1 PHE 256 HZ 0.02 -0.01 -0.10 -0.04 7.32 7.20 3h4mC1 LYS 257 H 0.10 0.63 -0.10 -0.55 8.42 8.49 3h4mC1 LYS 257 HA -0.01 -0.02 0.42 -0.75 4.32 3.96 3h4mC1 LYS 257 HB2 0.02 0.06 0.14 -0.04 1.87 2.05 3h4mC1 LYS 257 HB3 0.00 0.15 0.21 -0.04 1.79 2.11 3h4mC1 LYS 257 HG2 -0.02 0.00 -0.16 -0.04 1.46 1.23 3h4mC1 LYS 257 HG3 -0.03 -0.04 0.03 -0.04 1.46 1.39 3h4mC1 LYS 257 HD2 -0.01 -0.02 -0.03 -0.04 1.69 1.59 3h4mC1 LYS 257 HD3 -0.01 -0.01 -0.02 -0.04 1.68 1.59 3h4mC1 LYS 257 HE2 -0.02 -0.00 -0.03 -0.04 2.99 2.89 3h4mC1 LYS 257 HE3 -0.02 0.00 -0.02 -0.04 2.99 2.91 3h4mC1 LEU 258 H -0.01 0.65 -0.29 -0.55 8.37 8.17 3h4mC1 LEU 258 HA -0.02 -0.02 0.38 -0.75 4.35 3.93 3h4mC1 LEU 258 HB2 -0.03 0.02 0.06 -0.04 1.64 1.65 3h4mC1 LEU 258 HB3 -0.05 0.14 0.15 -0.04 1.64 1.85 3h4mC1 LEU 258 HG -0.03 0.01 -0.18 -0.04 1.64 1.40 3h4mC1 LEU 258 HD13 -0.02 -0.02 -0.00 -0.04 0.93 0.85 3h4mC1 LEU 258 HD23 -0.03 -0.03 -0.05 -0.04 0.89 0.74 3h4mC1 ALA 259 H -0.06 0.90 0.14 -0.55 8.40 8.83 3h4mC1 ALA 259 HA -0.04 -0.00 0.26 -0.75 4.34 3.80 3h4mC1 ALA 259 HB3 -0.07 -0.01 -0.00 -0.04 1.41 1.28 3h4mC1 LYS 260 H 0.01 0.74 -0.21 -0.55 8.42 8.41 3h4mC1 LYS 260 HA 0.04 -0.01 0.29 -0.75 4.32 3.89 3h4mC1 LYS 260 HB2 -0.15 0.12 0.06 -0.04 1.87 1.86 3h4mC1 LYS 260 HB3 -0.41 -0.07 -0.00 -0.04 1.79 1.27 3h4mC1 LYS 260 HG2 0.04 -0.05 -0.03 -0.04 1.46 1.38 3h4mC1 LYS 260 HG3 0.11 0.02 0.01 -0.04 1.46 1.57 3h4mC1 LYS 260 HD2 -0.08 0.02 -0.16 -0.04 1.69 1.43 3h4mC1 LYS 260 HD3 -0.54 -0.04 -0.03 -0.04 1.68 1.02 3h4mC1 LYS 260 HE2 0.35 -0.01 -0.02 -0.04 2.99 3.27 3h4mC1 LYS 260 HE3 0.17 -0.02 -0.05 -0.04 2.99 3.05 3h4mC1 GLU 261 H -0.04 0.34 -0.32 -0.55 8.60 8.04 3h4mC1 GLU 261 HA -0.04 0.00 0.59 -0.75 4.29 4.08 3h4mC1 GLU 261 HB2 -0.03 0.11 0.25 -0.04 2.09 2.38 3h4mC1 GLU 261 HB3 -0.02 -0.10 0.02 -0.04 1.99 1.85 3h4mC1 GLU 261 HG2 -0.04 -0.08 0.06 -0.04 2.34 2.23 3h4mC1 GLU 261 HG3 -0.06 0.09 0.07 -0.04 2.34 2.40 3h4mC1 LYS 262 H -0.01 0.62 -0.07 -0.55 8.42 8.40 3h4mC1 LYS 262 HA -0.00 0.15 0.81 -0.75 4.32 4.52 3h4mC1 LYS 262 HB2 -0.01 0.01 0.06 -0.04 1.87 1.88 3h4mC1 LYS 262 HB3 0.00 -0.05 0.16 -0.04 1.79 1.87 3h4mC1 LYS 262 HG2 -0.00 0.02 -0.03 -0.04 1.46 1.40 3h4mC1 LYS 262 HG3 -0.01 -0.02 -0.10 -0.04 1.46 1.29 3h4mC1 LYS 262 HD2 -0.01 -0.03 -0.06 -0.04 1.69 1.55 3h4mC1 LYS 262 HD3 0.00 -0.04 -0.02 -0.04 1.68 1.58 3h4mC1 LYS 262 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.94 3h4mC1 LYS 262 HE3 -0.01 0.01 -0.04 -0.04 2.99 2.91 3h4mC1 ALA 263 H 0.01 0.23 -0.73 -0.55 8.40 7.37 3h4mC1 ALA 263 HA 0.03 -0.08 0.41 -0.75 4.34 3.96 3h4mC1 ALA 263 HB3 0.07 -0.01 0.07 -0.04 1.41 1.50 3h4mC1 PRO 264 HA 0.04 0.17 0.56 -0.51 4.44 4.70 3h4mC1 PRO 264 HB2 0.02 -0.04 0.07 -0.04 2.28 2.29 3h4mC1 PRO 264 HB3 0.02 0.00 0.21 -0.04 2.02 2.21 3h4mC1 PRO 264 HG2 0.02 0.04 0.16 -0.04 2.03 2.20 3h4mC1 PRO 264 HG3 0.01 0.04 0.12 -0.04 2.03 2.16 3h4mC1 PRO 264 HD2 0.01 0.11 0.46 -0.04 3.68 4.22 3h4mC1 PRO 264 HD3 0.02 0.01 0.25 -0.04 3.65 3.88 3h4mC1 SER 265 H 0.03 0.33 0.40 -0.55 8.46 8.67 3h4mC1 SER 265 HA 0.02 -0.03 0.77 -0.75 4.49 4.49 3h4mC1 SER 265 HB2 -0.02 0.09 0.10 -0.04 3.95 4.08 3h4mC1 SER 265 HB3 0.01 0.35 -0.07 -0.04 3.93 4.18 3h4mC1 ILE 266 H 0.01 0.53 0.19 -0.55 8.25 8.42 3h4mC1 ILE 266 HA -0.00 0.30 0.92 -0.75 4.18 4.64 3h4mC1 ILE 266 HB 0.03 -0.08 0.10 -0.04 1.89 1.90 3h4mC1 ILE 266 HG12 0.07 0.00 -0.20 -0.04 1.49 1.32 3h4mC1 ILE 266 HG13 0.13 -0.04 -0.07 -0.04 1.21 1.19 3h4mC1 ILE 266 HG23 0.05 -0.03 -0.24 -0.04 0.93 0.68 3h4mC1 ILE 266 HD13 0.05 0.02 -0.10 -0.04 0.88 0.81 3h4mC1 ILE 267 H -0.05 0.66 0.25 -0.55 8.25 8.56 3h4mC1 ILE 267 HA -0.18 0.19 1.01 -0.75 4.18 4.44 3h4mC1 ILE 267 HB -0.10 -0.01 0.18 -0.04 1.89 1.92 3h4mC1 ILE 267 HG12 -0.22 0.01 -0.11 -0.04 1.49 1.13 3h4mC1 ILE 267 HG13 -0.12 0.07 -0.23 -0.04 1.21 0.89 3h4mC1 ILE 267 HG23 -0.22 -0.02 -0.18 -0.04 0.93 0.46 3h4mC1 ILE 267 HD13 -0.51 -0.01 -0.14 -0.04 0.88 0.19 3h4mC1 PHE 268 H -0.23 0.67 0.21 -0.55 8.34 8.45 3h4mC1 PHE 268 HA -0.07 0.17 0.90 -0.75 4.62 4.87 3h4mC1 PHE 268 HB2 -0.30 0.01 -0.05 -0.04 3.15 2.77 3h4mC1 PHE 268 HB3 -0.47 0.01 0.07 -0.04 3.06 2.62 3h4mC1 PHE 268 HD2 0.07 0.01 -0.12 -0.04 7.28 7.20 3h4mC1 PHE 268 HE2 0.10 -0.02 -0.21 -0.04 7.38 7.21 3h4mC1 PHE 268 HZ 0.08 -0.19 -0.28 -0.04 7.32 6.90 3h4mC1 ILE 269 H -0.39 0.74 0.32 -0.55 8.25 8.37 3h4mC1 ILE 269 HA -0.21 0.20 1.21 -0.75 4.18 4.62 3h4mC1 ILE 269 HB -0.13 -0.12 0.20 -0.04 1.89 1.80 3h4mC1 ILE 269 HG12 -0.09 0.01 -0.14 -0.04 1.49 1.24 3h4mC1 ILE 269 HG13 -0.09 0.06 -0.37 -0.04 1.21 0.77 3h4mC1 ILE 269 HG23 -0.09 -0.00 -0.18 -0.04 0.93 0.61 3h4mC1 ILE 269 HD13 0.04 0.00 -0.10 -0.04 0.88 0.78 3h4mC1 ASP 270 H -0.17 0.67 0.24 -0.55 8.40 8.60 3h4mC1 ASP 270 HA -0.25 -0.01 0.72 -0.75 4.63 4.32 3h4mC1 ASP 270 HB2 0.22 0.01 0.03 -0.04 2.71 2.93 3h4mC1 ASP 270 HB3 0.05 0.05 0.13 -0.04 2.70 2.89 3h4mC1 GLU 271 H -0.05 0.07 0.12 -0.55 8.60 8.19 3h4mC1 GLU 271 HA -0.03 -0.04 0.50 -0.75 4.29 3.96 3h4mC1 GLU 271 HB2 -0.01 -0.00 0.14 -0.04 2.09 2.18 3h4mC1 GLU 271 HB3 0.00 0.00 0.07 -0.04 1.99 2.03 3h4mC1 GLU 271 HG2 -0.02 0.32 0.20 -0.04 2.34 2.80 3h4mC1 GLU 271 HG3 -0.01 -0.05 0.24 -0.04 2.34 2.47 3h4mC1 ILE 272 H -0.09 0.72 0.23 -0.55 8.25 8.57 3h4mC1 ILE 272 HA -0.07 0.19 0.58 -0.75 4.18 4.12 3h4mC1 ILE 272 HB -0.15 -0.01 -0.01 -0.04 1.89 1.68 3h4mC1 ILE 272 HG12 -0.12 0.20 -0.04 -0.04 1.49 1.49 3h4mC1 ILE 272 HG13 -0.11 -0.15 -0.09 -0.04 1.21 0.82 3h4mC1 ILE 272 HG23 -0.12 0.05 0.02 -0.04 0.93 0.84 3h4mC1 ILE 272 HD13 -0.28 0.02 -0.15 -0.04 0.88 0.43 3h4mC1 ASP 273 H -0.06 0.10 -0.08 -0.55 8.40 7.82 3h4mC1 ASP 273 HA -0.06 0.05 0.33 -0.75 4.63 4.19 3h4mC1 ASP 273 HB2 -0.03 0.11 0.11 -0.04 2.71 2.85 3h4mC1 ASP 273 HB3 -0.05 0.07 0.02 -0.04 2.70 2.70 3h4mC1 ALA 274 H -0.04 0.16 -1.18 -0.55 8.40 6.79 3h4mC1 ALA 274 HA -0.02 0.13 0.67 -0.75 4.34 4.37 3h4mC1 ALA 274 HB3 -0.02 0.01 -0.07 -0.04 1.41 1.30 3h4mC1 ILE 275 H -0.04 0.35 0.05 -0.55 8.25 8.06 3h4mC1 ILE 275 HA -0.02 0.20 0.87 -0.75 4.18 4.48 3h4mC1 ILE 275 HB -0.03 0.02 -0.02 -0.04 1.89 1.82 3h4mC1 ILE 275 HG12 -0.01 0.06 -0.20 -0.04 1.49 1.30 3h4mC1 ILE 275 HG13 -0.02 -0.23 -0.55 -0.04 1.21 0.36 3h4mC1 ILE 275 HG23 -0.00 0.01 -0.01 -0.04 0.93 0.88 3h4mC1 ILE 275 HD13 -0.01 0.01 -0.05 -0.04 0.88 0.79 3h4mC1 ALA 276 H -0.06 0.24 0.17 -0.55 8.40 8.21 3h4mC1 ALA 276 HA -0.05 0.19 0.49 -0.75 4.34 4.21 3h4mC1 ALA 276 HB3 -0.12 -0.01 -0.01 -0.04 1.41 1.23 3h4mC1 ALA 277 H -0.03 0.01 -0.62 -0.55 8.40 7.21 3h4mC1 ALA 277 HA -0.04 0.23 0.35 -0.75 4.34 4.13 3h4mC1 ALA 277 HB3 -0.02 0.04 -0.07 -0.04 1.41 1.32 3h4mC1 LYS 278 H -0.03 0.46 0.22 -0.55 8.42 8.52 3h4mC1 LYS 278 HA -0.02 0.06 0.80 -0.75 4.32 4.40 3h4mC1 LYS 278 HB2 -0.02 -0.04 0.05 -0.04 1.87 1.82 3h4mC1 LYS 278 HB3 -0.02 0.07 0.05 -0.04 1.79 1.86 3h4mC1 LYS 278 HG2 -0.01 0.09 -0.08 -0.04 1.46 1.42 3h4mC1 LYS 278 HG3 -0.01 -0.06 0.06 -0.04 1.46 1.40 3h4mC1 LYS 278 HD2 -0.02 0.05 -0.02 -0.04 1.69 1.66 3h4mC1 LYS 278 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 3h4mC1 LYS 278 HE2 -0.01 -0.03 0.02 -0.04 2.99 2.92 3h4mC1 LYS 278 HE3 -0.02 -0.05 0.06 -0.04 2.99 2.94 3h4mC1 ARG 279 H -0.01 0.07 -0.01 -0.55 8.46 7.96 3h4mC1 ARG 279 HA -0.01 0.13 0.42 -0.75 4.34 4.13 3h4mC1 ARG 279 HB2 -0.01 0.06 0.08 -0.04 1.90 1.99 3h4mC1 ARG 279 HB3 -0.01 -0.19 0.11 -0.04 1.80 1.67 3h4mC1 ARG 279 HG2 -0.01 0.08 -0.07 -0.04 1.67 1.63 3h4mC1 ARG 279 HG3 -0.01 -0.01 -0.04 -0.04 1.67 1.58 3h4mC1 ARG 279 HD2 -0.01 -0.06 -0.03 -0.04 3.22 3.08 3h4mC1 ARG 279 HD3 -0.01 0.01 0.05 -0.04 3.22 3.24 3h4mC1 THR 280 H -0.01 0.05 0.08 -0.55 8.28 7.85 3h4mC1 THR 280 HA -0.01 0.15 0.52 -0.75 4.39 4.30 3h4mC1 THR 280 HB -0.01 -0.15 0.09 -0.04 4.32 4.21 3h4mC1 THR 280 HG23 -0.01 0.02 -0.05 -0.04 1.22 1.14 3h4mC1 ASP 281 H -0.01 -0.04 -0.09 -0.55 8.40 7.72 3h4mC1 ASP 281 HA -0.01 0.24 0.34 -0.75 4.63 4.45 3h4mC1 ASP 281 HB2 -0.00 -0.09 0.15 -0.04 2.71 2.72 3h4mC1 ASP 281 HB3 -0.00 0.22 -0.05 -0.04 2.70 2.82 3h4mC1 ALA 282 H -0.00 0.24 0.02 -0.55 8.40 8.11 3h4mC1 ALA 282 HA -0.00 0.16 0.83 -0.75 4.34 4.58 3h4mC1 ALA 282 HB3 -0.00 0.03 0.16 -0.04 1.41 1.56 3h4mC1 LEU 283 H -0.00 0.19 -0.60 -0.55 8.37 7.41 3h4mC1 LEU 283 HA -0.00 0.22 0.54 -0.75 4.35 4.35 3h4mC1 LEU 283 HB2 -0.00 -0.07 0.05 -0.04 1.64 1.57 3h4mC1 LEU 283 HB3 -0.00 0.02 0.17 -0.04 1.64 1.79 3h4mC1 LEU 283 HG -0.00 -0.06 -0.40 -0.04 1.64 1.14 3h4mC1 LEU 283 HD13 -0.00 0.01 -0.04 -0.04 0.93 0.85 3h4mC1 LEU 283 HD23 -0.00 0.04 0.04 -0.04 0.89 0.92 3h4mC1 THR 284 H -0.00 0.19 -0.13 -0.55 8.28 7.79 3h4mC1 THR 284 HA -0.00 0.11 0.46 -0.75 4.39 4.20 3h4mC1 THR 284 HB -0.00 -0.02 0.13 -0.04 4.32 4.39 3h4mC1 THR 284 HG23 -0.00 -0.01 -0.22 -0.04 1.22 0.95 3h4mC1 GLY 285 H -0.00 0.36 0.19 -0.55 8.43 8.43 3h4mC1 GLY 285 HA2 -0.00 0.03 0.24 -0.51 4.01 3.77 3h4mC1 GLY 285 HA3 -0.00 0.10 0.33 -0.51 4.01 3.92 3h4mC1 GLY 286 H -0.00 0.21 0.20 -0.55 8.43 8.29 3h4mC1 GLY 286 HA2 -0.00 0.05 0.47 -0.51 4.01 4.02 3h4mC1 GLY 286 HA3 -0.00 0.17 0.53 -0.51 4.01 4.19 3h4mC1 ASP 287 H -0.00 0.58 -0.44 -0.55 8.40 7.99 3h4mC1 ASP 287 HA 0.01 0.06 0.34 -0.75 4.63 4.29 3h4mC1 ASP 287 HB2 0.00 -0.02 0.17 -0.04 2.71 2.82 3h4mC1 ASP 287 HB3 0.00 0.09 0.10 -0.04 2.70 2.86 3h4mC1 ARG 288 H 0.00 0.26 -0.86 -0.55 8.46 7.31 3h4mC1 ARG 288 HA 0.00 0.07 0.54 -0.75 4.34 4.20 3h4mC1 ARG 288 HB2 0.00 0.08 0.07 -0.04 1.90 2.01 3h4mC1 ARG 288 HB3 0.00 0.05 -0.00 -0.04 1.80 1.81 3h4mC1 ARG 288 HG2 0.00 -0.04 0.05 -0.04 1.67 1.65 3h4mC1 ARG 288 HG3 0.00 0.01 0.07 -0.04 1.67 1.70 3h4mC1 ARG 288 HD2 0.00 0.00 -0.01 -0.04 3.22 3.18 3h4mC1 ARG 288 HD3 0.00 0.02 -0.00 -0.04 3.22 3.20 3h4mC1 GLU 289 H 0.01 0.31 -0.10 -0.55 8.60 8.26 3h4mC1 GLU 289 HA 0.02 0.03 0.50 -0.75 4.29 4.09 3h4mC1 GLU 289 HB2 0.02 0.07 0.15 -0.04 2.09 2.30 3h4mC1 GLU 289 HB3 0.02 -0.01 0.08 -0.04 1.99 2.04 3h4mC1 GLU 289 HG2 0.05 0.31 -0.02 -0.04 2.34 2.64 3h4mC1 GLU 289 HG3 0.04 -0.03 -0.15 -0.04 2.34 2.16 3h4mC1 VAL 290 H 0.01 0.29 -0.24 -0.55 8.24 7.75 3h4mC1 VAL 290 HA 0.01 0.06 0.40 -0.75 4.13 3.85 3h4mC1 VAL 290 HB 0.00 0.13 0.09 -0.04 2.12 2.29 3h4mC1 VAL 290 HG13 -0.00 0.02 0.06 -0.04 0.97 1.00 3h4mC1 VAL 290 HG23 0.01 -0.04 0.06 -0.04 0.95 0.94 3h4mC1 GLN 291 H 0.00 0.22 -0.35 -0.55 8.47 7.79 3h4mC1 GLN 291 HA -0.00 0.18 0.65 -0.75 4.36 4.44 3h4mC1 GLN 291 HB2 0.00 0.07 0.11 -0.04 2.15 2.28 3h4mC1 GLN 291 HB3 -0.00 0.01 0.08 -0.04 2.02 2.06 3h4mC1 GLN 291 HG2 -0.01 0.13 -0.04 -0.04 2.40 2.45 3h4mC1 GLN 291 HG3 -0.00 0.01 0.02 -0.04 2.39 2.39 3h4mC1 GLN 291 HE21 -0.01 -0.03 0.02 -0.04 6.97 6.91 3h4mC1 GLN 291 HE22 -0.00 0.02 0.02 -0.04 7.69 7.69 3h4mC1 ARG 292 H 0.01 0.33 -0.15 -0.55 8.46 8.10 3h4mC1 ARG 292 HA 0.01 0.07 0.57 -0.75 4.34 4.24 3h4mC1 ARG 292 HB2 0.01 0.13 0.22 -0.04 1.90 2.23 3h4mC1 ARG 292 HB3 0.01 -0.05 0.01 -0.04 1.80 1.73 3h4mC1 ARG 292 HG2 0.01 0.01 0.07 -0.04 1.67 1.71 3h4mC1 ARG 292 HG3 0.01 0.11 0.06 -0.04 1.67 1.81 3h4mC1 ARG 292 HD2 0.02 -0.06 0.04 -0.04 3.22 3.18 3h4mC1 ARG 292 HD3 0.01 -0.02 0.04 -0.04 3.22 3.22 3h4mC1 THR 293 H 0.01 0.39 -0.27 -0.55 8.28 7.86 3h4mC1 THR 293 HA 0.02 -0.06 0.36 -0.75 4.39 3.95 3h4mC1 THR 293 HB 0.01 0.26 0.07 -0.04 4.32 4.62 3h4mC1 THR 293 HG23 0.02 0.02 -0.22 -0.04 1.22 1.01 3h4mC1 LEU 294 H 0.01 0.31 -0.26 -0.55 8.37 7.88 3h4mC1 LEU 294 HA 0.02 0.01 0.31 -0.75 4.35 3.93 3h4mC1 LEU 294 HB2 -0.00 0.15 0.13 -0.04 1.64 1.88 3h4mC1 LEU 294 HB3 0.00 0.16 0.14 -0.04 1.64 1.90 3h4mC1 LEU 294 HG 0.00 -0.08 -0.13 -0.04 1.64 1.40 3h4mC1 LEU 294 HD13 -0.02 0.02 -0.18 -0.04 0.93 0.71 3h4mC1 LEU 294 HD23 -0.01 0.02 -0.02 -0.04 0.89 0.84 3h4mC1 MET 295 H 0.01 0.36 -0.34 -0.55 8.47 7.95 3h4mC1 MET 295 HA 0.00 0.01 0.37 -0.75 4.52 4.16 3h4mC1 MET 295 HB2 0.00 0.15 0.15 -0.04 2.15 2.41 3h4mC1 MET 295 HB3 -0.00 -0.03 0.03 -0.04 2.03 1.99 3h4mC1 MET 295 HG2 0.00 0.36 0.21 -0.04 2.63 3.16 3h4mC1 MET 295 HG3 0.00 -0.07 0.06 -0.04 2.56 2.51 3h4mC1 MET 295 HE3 0.00 -0.02 -0.07 -0.04 2.10 1.97 3h4mC1 GLN 296 H 0.01 0.43 -0.18 -0.55 8.47 8.19 3h4mC1 GLN 296 HA -0.01 0.00 0.37 -0.75 4.36 3.97 3h4mC1 GLN 296 HB2 0.01 -0.04 0.12 -0.04 2.15 2.20 3h4mC1 GLN 296 HB3 0.03 0.15 0.13 -0.04 2.02 2.28 3h4mC1 GLN 296 HG2 0.03 0.09 0.01 -0.04 2.40 2.49 3h4mC1 GLN 296 HG3 0.03 -0.02 -0.05 -0.04 2.39 2.31 3h4mC1 GLN 296 HE21 -0.02 0.02 -0.01 -0.04 6.97 6.92 3h4mC1 GLN 296 HE22 -0.02 -0.01 0.00 -0.04 7.69 7.63 3h4mC1 LEU 297 H 0.03 0.32 -0.50 -0.55 8.37 7.67 3h4mC1 LEU 297 HA 0.10 0.05 0.57 -0.75 4.35 4.31 3h4mC1 LEU 297 HB2 0.10 -0.04 0.03 -0.04 1.64 1.69 3h4mC1 LEU 297 HB3 0.06 0.16 0.18 -0.04 1.64 2.00 3h4mC1 LEU 297 HG 0.16 0.04 -0.24 -0.04 1.64 1.56 3h4mC1 LEU 297 HD13 0.31 -0.01 -0.05 -0.04 0.93 1.14 3h4mC1 LEU 297 HD23 0.08 -0.02 -0.07 -0.04 0.89 0.84 3h4mC1 LEU 298 H 0.03 0.56 0.10 -0.55 8.37 8.51 3h4mC1 LEU 298 HA 0.04 0.05 0.32 -0.75 4.35 4.00 3h4mC1 LEU 298 HB2 0.01 0.00 0.14 -0.04 1.64 1.74 3h4mC1 LEU 298 HB3 0.02 0.04 -0.03 -0.04 1.64 1.63 3h4mC1 LEU 298 HG 0.03 0.02 0.02 -0.04 1.64 1.66 3h4mC1 LEU 298 HD13 0.01 -0.03 -0.11 -0.04 0.93 0.76 3h4mC1 LEU 298 HD23 0.06 0.00 -0.06 -0.04 0.89 0.85 3h4mC1 ALA 299 H -0.02 0.58 -0.10 -0.55 8.40 8.31 3h4mC1 ALA 299 HA -0.04 0.07 0.35 -0.75 4.34 3.97 3h4mC1 ALA 299 HB3 -0.03 -0.01 0.01 -0.04 1.41 1.33 3h4mC1 GLU 300 H -0.14 0.39 -0.26 -0.55 8.60 8.05 3h4mC1 GLU 300 HA -0.25 -0.04 0.51 -0.75 4.29 3.75 3h4mC1 GLU 300 HB2 -0.48 0.19 0.21 -0.04 2.09 1.96 3h4mC1 GLU 300 HB3 -1.45 -0.08 -0.00 -0.04 1.99 0.42 3h4mC1 GLU 300 HG2 -0.15 -0.00 0.11 -0.04 2.34 2.26 3h4mC1 GLU 300 HG3 -0.13 -0.07 -0.03 -0.04 2.34 2.06 3h4mC1 MET 301 H -0.16 0.55 -0.34 -0.55 8.47 7.98 3h4mC1 MET 301 HA -0.12 -0.00 0.41 -0.75 4.52 4.05 3h4mC1 MET 301 HB2 0.02 0.05 0.05 -0.04 2.15 2.24 3h4mC1 MET 301 HB3 0.00 0.11 0.06 -0.04 2.03 2.16 3h4mC1 MET 301 HG2 -0.03 0.07 0.12 -0.04 2.63 2.75 3h4mC1 MET 301 HG3 0.05 -0.04 0.02 -0.04 2.56 2.55 3h4mC1 MET 301 HE3 0.31 -0.02 -0.13 -0.04 2.10 2.22 3h4mC1 ASP 302 H -0.10 0.27 -0.84 -0.55 8.40 7.19 3h4mC1 ASP 302 HA -0.04 0.22 0.88 -0.75 4.63 4.94 3h4mC1 ASP 302 HB2 -0.04 0.00 0.07 -0.04 2.71 2.70 3h4mC1 ASP 302 HB3 -0.03 -0.07 0.14 -0.04 2.70 2.70 3h4mC1 GLY 303 H -0.08 0.27 -0.12 -0.55 8.43 7.95 3h4mC1 GLY 303 HA2 -0.02 0.08 0.46 -0.51 4.01 4.02 3h4mC1 GLY 303 HA3 -0.02 -0.12 0.42 -0.51 4.01 3.78 3h4mC1 PHE 304 H 0.14 0.07 0.14 -0.55 8.34 8.14 3h4mC1 PHE 304 HA -0.02 0.04 0.40 -0.75 4.62 4.28 3h4mC1 PHE 304 HB2 -0.02 -0.04 0.11 -0.04 3.15 3.16 3h4mC1 PHE 304 HB3 -0.02 -0.03 0.13 -0.04 3.06 3.10 3h4mC1 PHE 304 HD2 0.01 -0.02 -0.05 -0.04 7.28 7.18 3h4mC1 PHE 304 HE2 0.01 -0.01 -0.04 -0.04 7.38 7.29 3h4mC1 PHE 304 HZ 0.01 0.03 -0.02 -0.04 7.32 7.29 3h4mC1 ASP 305 H 0.01 -0.03 -0.36 -0.55 8.40 7.48 3h4mC1 ASP 305 HA -0.31 -0.04 0.22 -0.75 4.63 3.76 3h4mC1 ASP 305 HB2 -0.07 0.14 -0.03 -0.04 2.71 2.71 3h4mC1 ASP 305 HB3 0.01 -0.06 0.02 -0.04 2.70 2.63 3h4mC1 ALA 306 H -0.17 0.13 -0.12 -0.55 8.40 7.68 3h4mC1 ALA 306 HA -0.09 0.14 0.37 -0.75 4.34 4.01 3h4mC1 ALA 306 HB3 -0.11 0.00 0.08 -0.04 1.41 1.34 3h4mC1 ARG 307 H -0.09 0.06 0.06 -0.55 8.46 7.94 3h4mC1 ARG 307 HA -0.10 0.18 0.62 -0.75 4.34 4.29 3h4mC1 ARG 307 HB2 -0.06 -0.04 0.24 -0.04 1.90 2.00 3h4mC1 ARG 307 HB3 -0.07 0.03 0.23 -0.04 1.80 1.96 3h4mC1 ARG 307 HG2 -0.04 0.04 0.01 -0.04 1.67 1.64 3h4mC1 ARG 307 HG3 -0.05 -0.02 0.07 -0.04 1.67 1.63 3h4mC1 ARG 307 HD2 -0.00 -0.03 0.03 -0.04 3.22 3.18 3h4mC1 ARG 307 HD3 0.02 0.04 0.01 -0.04 3.22 3.25 3h4mC1 GLY 308 H -0.07 0.05 0.16 -0.55 8.43 8.02 3h4mC1 GLY 308 HA2 -0.08 0.09 0.30 -0.51 4.01 3.80 3h4mC1 GLY 308 HA3 -0.06 0.14 0.35 -0.51 4.01 3.93 3h4mC1 ASP 309 H -0.03 0.11 0.08 -0.55 8.40 8.01 3h4mC1 ASP 309 HA 0.01 0.04 0.19 -0.75 4.63 4.12 3h4mC1 ASP 309 HB2 -0.02 0.31 0.57 -0.04 2.71 3.52 3h4mC1 ASP 309 HB3 0.01 -0.05 0.07 -0.04 2.70 2.68 3h4mC1 VAL 310 H 0.02 0.23 0.05 -0.55 8.24 7.99 3h4mC1 VAL 310 HA 0.04 0.23 1.01 -0.75 4.13 4.66 3h4mC1 VAL 310 HB 0.14 -0.04 0.10 -0.04 2.12 2.28 3h4mC1 VAL 310 HG13 0.06 -0.00 -0.19 -0.04 0.97 0.79 3h4mC1 VAL 310 HG23 0.14 -0.02 -0.26 -0.04 0.95 0.78 3h4mC1 LYS 311 H 0.01 0.23 0.20 -0.55 8.42 8.30 3h4mC1 LYS 311 HA -0.03 0.27 0.67 -0.75 4.32 4.48 3h4mC1 LYS 311 HB2 0.01 -0.08 0.10 -0.04 1.87 1.86 3h4mC1 LYS 311 HB3 -0.02 0.01 0.07 -0.04 1.79 1.81 3h4mC1 LYS 311 HG2 -0.01 -0.01 -0.02 -0.04 1.46 1.37 3h4mC1 LYS 311 HG3 -0.03 0.04 0.01 -0.04 1.46 1.43 3h4mC1 LYS 311 HD2 -0.05 0.23 -0.04 -0.04 1.69 1.79 3h4mC1 LYS 311 HD3 -0.03 -0.30 -0.25 -0.04 1.68 1.05 3h4mC1 LYS 311 HE2 -0.10 -0.08 -0.15 -0.04 2.99 2.63 3h4mC1 LYS 311 HE3 -0.09 -0.06 -0.25 -0.04 2.99 2.55 3h4mC1 ILE 312 H -0.07 0.59 0.36 -0.55 8.25 8.58 3h4mC1 ILE 312 HA -0.02 0.14 1.25 -0.75 4.18 4.79 3h4mC1 ILE 312 HB -0.15 -0.01 0.10 -0.04 1.89 1.79 3h4mC1 ILE 312 HG12 0.05 -0.04 -0.12 -0.04 1.49 1.33 3h4mC1 ILE 312 HG13 0.04 0.14 -0.18 -0.04 1.21 1.17 3h4mC1 ILE 312 HG23 0.05 -0.03 -0.20 -0.04 0.93 0.72 3h4mC1 ILE 312 HD13 0.26 -0.01 -0.08 -0.04 0.88 1.01 3h4mC1 ILE 313 H 0.04 0.62 0.32 -0.55 8.25 8.69 3h4mC1 ILE 313 HA 0.08 0.32 1.27 -0.75 4.18 5.09 3h4mC1 ILE 313 HB 0.30 -0.08 0.09 -0.04 1.89 2.16 3h4mC1 ILE 313 HG12 0.10 0.05 -0.12 -0.04 1.49 1.48 3h4mC1 ILE 313 HG13 0.10 0.02 -0.25 -0.04 1.21 1.04 3h4mC1 ILE 313 HG23 0.23 -0.04 -0.20 -0.04 0.93 0.89 3h4mC1 ILE 313 HD13 0.18 -0.02 -0.11 -0.04 0.88 0.88 3h4mC1 GLY 314 H 0.32 0.79 0.46 -0.55 8.43 9.46 3h4mC1 GLY 314 HA2 -0.08 0.14 1.05 -0.51 4.01 4.62 3h4mC1 GLY 314 HA3 0.13 0.02 0.39 -0.51 4.01 4.03 3h4mC1 ALA 315 H -0.23 0.72 0.41 -0.55 8.40 8.75 3h4mC1 ALA 315 HA 0.03 0.36 1.14 -0.75 4.34 5.12 3h4mC1 ALA 315 HB3 -0.05 -0.03 0.08 -0.04 1.41 1.37 3h4mC1 THR 316 H 0.06 0.76 0.38 -0.55 8.28 8.93 3h4mC1 THR 316 HA -0.00 -0.09 0.70 -0.75 4.39 4.25 3h4mC1 THR 316 HB -0.04 -0.10 -0.02 -0.04 4.32 4.12 3h4mC1 THR 316 HG23 0.01 0.04 -0.16 -0.04 1.22 1.07 3h4mC1 ASN 317 H 0.02 0.05 0.18 -0.55 8.53 8.23 3h4mC1 ASN 317 HA 0.06 0.52 0.71 -0.75 4.76 5.30 3h4mC1 ASN 317 HB2 0.02 -0.04 0.15 -0.04 2.88 2.97 3h4mC1 ASN 317 HB3 0.03 0.06 0.08 -0.04 2.79 2.92 3h4mC1 ASN 317 HD21 0.05 -0.08 -0.07 -0.04 7.03 6.89 3h4mC1 ASN 317 HD22 0.05 -0.11 -0.35 -0.04 7.74 7.28 3h4mC1 ARG 318 H 0.01 -0.02 -0.02 -0.55 8.46 7.88 3h4mC1 ARG 318 HA 0.01 0.24 0.71 -0.75 4.34 4.54 3h4mC1 ARG 318 HB2 0.01 0.03 -0.01 -0.04 1.90 1.89 3h4mC1 ARG 318 HB3 -0.01 -0.04 0.19 -0.04 1.80 1.90 3h4mC1 ARG 318 HG2 -0.01 0.05 0.01 -0.04 1.67 1.68 3h4mC1 ARG 318 HG3 -0.01 -0.08 -0.06 -0.04 1.67 1.48 3h4mC1 ARG 318 HD2 0.00 0.05 0.04 -0.04 3.22 3.27 3h4mC1 ARG 318 HD3 0.00 0.04 -0.01 -0.04 3.22 3.21 3h4mC1 PRO 319 HA -0.07 0.06 0.15 -0.51 4.44 4.07 3h4mC1 PRO 319 HB2 -0.33 0.09 -0.08 -0.04 2.28 1.92 3h4mC1 PRO 319 HB3 -0.07 0.03 -0.09 -0.04 2.02 1.85 3h4mC1 PRO 319 HG2 -0.15 0.07 -0.05 -0.04 2.03 1.86 3h4mC1 PRO 319 HG3 0.10 0.09 -0.11 -0.04 2.03 2.06 3h4mC1 PRO 319 HD2 -0.04 0.08 0.09 -0.04 3.68 3.77 3h4mC1 PRO 319 HD3 0.02 0.40 0.24 -0.04 3.65 4.27 3h4mC1 ASP 320 H -0.06 0.15 -0.15 -0.55 8.40 7.79 3h4mC1 ASP 320 HA -0.08 0.28 0.96 -0.75 4.63 5.03 3h4mC1 ASP 320 HB2 -0.05 -0.03 0.05 -0.04 2.71 2.64 3h4mC1 ASP 320 HB3 -0.05 0.05 0.17 -0.04 2.70 2.83 3h4mC1 ILE 321 H -0.05 0.14 -0.27 -0.55 8.25 7.52 3h4mC1 ILE 321 HA -0.03 0.21 0.70 -0.75 4.18 4.30 3h4mC1 ILE 321 HB -0.03 0.11 0.10 -0.04 1.89 2.02 3h4mC1 ILE 321 HG12 -0.02 0.06 0.08 -0.04 1.49 1.57 3h4mC1 ILE 321 HG13 -0.02 0.00 -0.04 -0.04 1.21 1.11 3h4mC1 ILE 321 HG23 -0.03 -0.01 -0.03 -0.04 0.93 0.82 3h4mC1 ILE 321 HD13 -0.01 -0.01 0.01 -0.04 0.88 0.82 3h4mC1 LEU 322 H -0.06 0.10 -0.45 -0.55 8.37 7.41 3h4mC1 LEU 322 HA -0.06 0.04 0.08 -0.75 4.35 3.65 3h4mC1 LEU 322 HB2 -0.08 0.12 0.04 -0.04 1.64 1.68 3h4mC1 LEU 322 HB3 -0.09 0.08 -0.17 -0.04 1.64 1.43 3h4mC1 LEU 322 HG -0.08 -0.16 -0.10 -0.04 1.64 1.27 3h4mC1 LEU 322 HD13 -0.10 0.04 -0.05 -0.04 0.93 0.77 3h4mC1 LEU 322 HD23 -0.11 -0.03 -0.20 -0.04 0.89 0.52 3h4mC1 ASP 323 H -0.05 0.66 0.24 -0.55 8.40 8.70 3h4mC1 ASP 323 HA -0.03 0.10 0.59 -0.75 4.63 4.53 3h4mC1 ASP 323 HB2 -0.03 0.06 -0.06 -0.04 2.71 2.64 3h4mC1 ASP 323 HB3 -0.04 0.12 0.14 -0.04 2.70 2.88 3h4mC1 PRO 324 HA -0.02 0.08 0.41 -0.51 4.44 4.41 3h4mC1 PRO 324 HB2 -0.01 0.01 0.01 -0.04 2.28 2.26 3h4mC1 PRO 324 HB3 -0.01 0.05 0.07 -0.04 2.02 2.09 3h4mC1 PRO 324 HG2 -0.01 0.03 0.09 -0.04 2.03 2.09 3h4mC1 PRO 324 HG3 -0.02 0.09 0.10 -0.04 2.03 2.16 3h4mC1 PRO 324 HD2 -0.02 0.04 0.24 -0.04 3.68 3.90 3h4mC1 PRO 324 HD3 -0.03 0.37 0.34 -0.04 3.65 4.29 3h4mC1 ALA 325 H -0.01 0.11 -0.31 -0.55 8.40 7.65 3h4mC1 ALA 325 HA 0.01 0.08 0.25 -0.75 4.34 3.92 3h4mC1 ALA 325 HB3 -0.00 0.02 0.02 -0.04 1.41 1.40 3h4mC1 ILE 326 H -0.02 0.27 -0.54 -0.55 8.25 7.42 3h4mC1 ILE 326 HA 0.05 0.15 0.59 -0.75 4.18 4.22 3h4mC1 ILE 326 HB -0.06 -0.02 0.03 -0.04 1.89 1.80 3h4mC1 ILE 326 HG12 -0.23 -0.01 -0.06 -0.04 1.49 1.16 3h4mC1 ILE 326 HG13 0.06 0.05 0.02 -0.04 1.21 1.30 3h4mC1 ILE 326 HG23 -0.15 0.01 -0.15 -0.04 0.93 0.60 3h4mC1 ILE 326 HD13 -0.12 -0.02 -0.06 -0.04 0.88 0.64 3h4mC1 LEU 327 H 0.01 0.13 -0.06 -0.55 8.37 7.90 3h4mC1 LEU 327 HA 0.11 0.25 0.47 -0.75 4.35 4.43 3h4mC1 LEU 327 HB2 0.02 0.03 0.01 -0.04 1.64 1.65 3h4mC1 LEU 327 HB3 0.04 0.01 0.05 -0.04 1.64 1.70 3h4mC1 LEU 327 HG -0.02 -0.03 0.05 -0.04 1.64 1.60 3h4mC1 LEU 327 HD13 -0.02 -0.01 -0.03 -0.04 0.93 0.83 3h4mC1 LEU 327 HD23 -0.02 -0.02 -0.09 -0.04 0.89 0.72 3h4mC1 ARG 328 H 0.03 0.29 -0.34 -0.55 8.46 7.89 3h4mC1 ARG 328 HA 0.02 -0.03 0.30 -0.75 4.34 3.87 3h4mC1 ARG 328 HB2 0.02 -0.14 -0.00 -0.04 1.90 1.74 3h4mC1 ARG 328 HB3 0.03 0.37 0.02 -0.04 1.80 2.18 3h4mC1 ARG 328 HG2 0.02 0.05 -0.10 -0.04 1.67 1.60 3h4mC1 ARG 328 HG3 0.01 -0.13 -0.02 -0.04 1.67 1.49 3h4mC1 ARG 328 HD2 0.02 0.05 0.01 -0.04 3.22 3.25 3h4mC1 ARG 328 HD3 0.02 0.06 -0.22 -0.04 3.22 3.04 3h4mC1 PRO 329 HA 0.03 0.01 0.32 -0.51 4.44 4.29 3h4mC1 PRO 329 HB2 0.01 0.03 -0.03 -0.04 2.28 2.25 3h4mC1 PRO 329 HB3 0.02 0.01 0.10 -0.04 2.02 2.11 3h4mC1 PRO 329 HG2 0.01 0.00 0.06 -0.04 2.03 2.07 3h4mC1 PRO 329 HG3 0.02 0.01 0.07 -0.04 2.03 2.08 3h4mC1 PRO 329 HD2 0.02 -0.00 0.18 -0.04 3.68 3.84 3h4mC1 PRO 329 HD3 0.02 0.17 0.13 -0.04 3.65 3.93 3h4mC1 GLY 330 H 0.01 0.10 0.07 -0.55 8.43 8.06 3h4mC1 GLY 330 HA2 -0.01 0.01 0.42 -0.51 4.01 3.91 3h4mC1 GLY 330 HA3 -0.00 0.20 0.86 -0.51 4.01 4.56 3h4mC1 ARG 331 H 0.03 0.36 -0.29 -0.55 8.46 8.02 3h4mC1 ARG 331 HA -0.03 0.22 0.99 -0.75 4.34 4.76 3h4mC1 ARG 331 HB2 0.12 0.27 0.15 -0.04 1.90 2.41 3h4mC1 ARG 331 HB3 0.19 -0.10 0.11 -0.04 1.80 1.95 3h4mC1 ARG 331 HG2 0.05 -0.01 -0.06 -0.04 1.67 1.61 3h4mC1 ARG 331 HG3 0.02 -0.02 -0.39 -0.04 1.67 1.24 3h4mC1 ARG 331 HD2 0.04 0.19 -0.06 -0.04 3.22 3.35 3h4mC1 ARG 331 HD3 0.07 -0.07 0.02 -0.04 3.22 3.20 3h4mC1 PHE 332 H 0.29 0.58 0.11 -0.55 8.34 8.78 3h4mC1 PHE 332 HA 0.02 0.35 0.80 -0.75 4.62 5.03 3h4mC1 PHE 332 HB2 0.01 0.17 -0.04 -0.04 3.15 3.25 3h4mC1 PHE 332 HB3 0.02 -0.06 -0.02 -0.04 3.06 2.96 3h4mC1 PHE 332 HD2 0.02 0.02 -0.28 -0.04 7.28 7.00 3h4mC1 PHE 332 HE2 0.01 -0.03 -0.09 -0.04 7.38 7.23 3h4mC1 PHE 332 HZ -0.00 -0.03 -0.21 -0.04 7.32 7.04 3h4mC1 ASP 333 H -0.00 0.31 0.11 -0.55 8.40 8.27 3h4mC1 ASP 333 HA 0.07 0.26 0.54 -0.75 4.63 4.73 3h4mC1 ASP 333 HB2 0.02 -0.00 -0.02 -0.04 2.71 2.66 3h4mC1 ASP 333 HB3 0.03 -0.05 0.05 -0.04 2.70 2.69 3h4mC1 ARG 334 H 0.03 0.20 0.15 -0.55 8.46 8.28 3h4mC1 ARG 334 HA 0.06 0.15 0.92 -0.75 4.34 4.72 3h4mC1 ARG 334 HB2 0.04 -0.02 0.14 -0.04 1.90 2.02 3h4mC1 ARG 334 HB3 0.06 -0.05 -0.01 -0.04 1.80 1.76 3h4mC1 ARG 334 HG2 0.03 -0.00 -0.08 -0.04 1.67 1.57 3h4mC1 ARG 334 HG3 0.03 0.07 -0.00 -0.04 1.67 1.72 3h4mC1 ARG 334 HD2 0.04 -0.00 -0.03 -0.04 3.22 3.19 3h4mC1 ARG 334 HD3 0.05 -0.04 0.03 -0.04 3.22 3.22 3h4mC1 ILE 335 H 0.09 0.22 0.07 -0.55 8.25 8.07 3h4mC1 ILE 335 HA 0.16 0.16 0.85 -0.75 4.18 4.60 3h4mC1 ILE 335 HB 0.13 -0.02 0.12 -0.04 1.89 2.07 3h4mC1 ILE 335 HG12 0.12 -0.00 -0.12 -0.04 1.49 1.45 3h4mC1 ILE 335 HG13 0.11 0.07 -0.64 -0.04 1.21 0.70 3h4mC1 ILE 335 HG23 0.24 -0.03 -0.18 -0.04 0.93 0.92 3h4mC1 ILE 335 HD13 0.04 -0.01 -0.07 -0.04 0.88 0.80 3h4mC1 ILE 336 H 0.12 0.78 0.28 -0.55 8.25 8.88 3h4mC1 ILE 336 HA 0.03 0.11 0.84 -0.75 4.18 4.40 3h4mC1 ILE 336 HB 0.05 0.00 0.08 -0.04 1.89 1.99 3h4mC1 ILE 336 HG12 0.04 0.02 -0.10 -0.04 1.49 1.42 3h4mC1 ILE 336 HG13 0.07 -0.04 -0.14 -0.04 1.21 1.06 3h4mC1 ILE 336 HG23 -0.01 -0.00 -0.15 -0.04 0.93 0.73 3h4mC1 ILE 336 HD13 0.05 0.01 -0.15 -0.04 0.88 0.76 3h4mC1 GLU 337 H -0.13 0.14 0.21 -0.55 8.60 8.28 3h4mC1 GLU 337 HA -0.94 0.16 0.89 -0.75 4.29 3.64 3h4mC1 GLU 337 HB2 -0.49 0.02 0.10 -0.04 2.09 1.68 3h4mC1 GLU 337 HB3 -0.20 -0.04 0.14 -0.04 1.99 1.84 3h4mC1 GLU 337 HG2 -0.26 -0.00 -0.12 -0.04 2.34 1.92 3h4mC1 GLU 337 HG3 -0.77 0.05 0.01 -0.04 2.34 1.59 3h4mC1 VAL 338 H -0.28 0.98 0.27 -0.55 8.24 8.66 3h4mC1 VAL 338 HA -0.06 0.12 0.77 -0.75 4.13 4.20 3h4mC1 VAL 338 HB -0.01 -0.06 0.05 -0.04 2.12 2.06 3h4mC1 VAL 338 HG13 0.01 -0.02 -0.18 -0.04 0.97 0.74 3h4mC1 VAL 338 HG23 -0.01 0.01 -0.28 -0.04 0.95 0.63 3h4mC1 PRO 339 HA -0.02 0.12 0.73 -0.51 4.44 4.77 3h4mC1 PRO 339 HB2 -0.01 0.12 0.07 -0.04 2.28 2.42 3h4mC1 PRO 339 HB3 -0.02 0.01 0.09 -0.04 2.02 2.05 3h4mC1 PRO 339 HG2 -0.03 0.04 -0.02 -0.04 2.03 1.98 3h4mC1 PRO 339 HG3 -0.06 0.01 -0.02 -0.04 2.03 1.91 3h4mC1 PRO 339 HD2 -0.04 0.08 0.06 -0.04 3.68 3.75 3h4mC1 PRO 339 HD3 -0.09 0.18 -0.35 -0.04 3.65 3.35 3h4mC1 ALA 340 H 0.01 0.07 0.15 -0.55 8.40 8.09 3h4mC1 ALA 340 HA 0.01 0.04 0.47 -0.75 4.34 4.10 3h4mC1 ALA 340 HB3 0.01 0.03 0.01 -0.04 1.41 1.41 3h4mC1 PRO 341 HA 0.00 0.04 0.44 -0.51 4.44 4.42 3h4mC1 PRO 341 HB2 0.01 -0.15 -0.12 -0.04 2.28 1.98 3h4mC1 PRO 341 HB3 0.01 0.06 0.04 -0.04 2.02 2.10 3h4mC1 PRO 341 HG2 0.01 0.13 0.09 -0.04 2.03 2.22 3h4mC1 PRO 341 HG3 0.02 -0.00 0.02 -0.04 2.03 2.02 3h4mC1 PRO 341 HD2 0.01 0.21 0.21 -0.04 3.68 4.07 3h4mC1 PRO 341 HD3 0.02 0.07 0.26 -0.04 3.65 3.95 3h4mC1 ASP 342 H 0.00 0.05 0.19 -0.55 8.40 8.09 3h4mC1 ASP 342 HA 0.00 0.23 0.57 -0.75 4.63 4.67 3h4mC1 ASP 342 HB2 0.00 -0.14 0.27 -0.04 2.71 2.79 3h4mC1 ASP 342 HB3 0.00 0.15 0.17 -0.04 2.70 2.98 3h4mC1 GLU 343 H 0.00 0.17 0.15 -0.55 8.60 8.37 3h4mC1 GLU 343 HA 0.00 0.21 0.45 -0.75 4.29 4.20 3h4mC1 GLU 343 HB2 0.00 0.07 0.12 -0.04 2.09 2.23 3h4mC1 GLU 343 HB3 -0.00 -0.06 0.15 -0.04 1.99 2.04 3h4mC1 GLU 343 HG2 -0.00 -0.01 -0.15 -0.04 2.34 2.13 3h4mC1 GLU 343 HG3 -0.00 -0.00 -0.09 -0.04 2.34 2.20 3h4mC1 LYS 344 H -0.00 0.11 -0.01 -0.55 8.42 7.96 3h4mC1 LYS 344 HA -0.00 0.11 0.31 -0.75 4.32 3.98 3h4mC1 LYS 344 HB2 -0.00 -0.03 0.09 -0.04 1.87 1.88 3h4mC1 LYS 344 HB3 -0.00 0.05 0.01 -0.04 1.79 1.80 3h4mC1 LYS 344 HG2 -0.00 0.07 0.03 -0.04 1.46 1.51 3h4mC1 LYS 344 HG3 -0.00 0.03 0.02 -0.04 1.46 1.46 3h4mC1 LYS 344 HD2 -0.00 -0.09 0.05 -0.04 1.69 1.60 3h4mC1 LYS 344 HD3 -0.00 -0.01 0.07 -0.04 1.68 1.70 3h4mC1 LYS 344 HE2 -0.00 0.04 0.02 -0.04 2.99 3.00 3h4mC1 LYS 344 HE3 -0.00 0.03 0.01 -0.04 2.99 2.98 3h4mC1 GLY 345 H 0.00 -0.00 -0.40 -0.55 8.43 7.49 3h4mC1 GLY 345 HA2 0.00 -0.04 0.52 -0.51 4.01 3.98 3h4mC1 GLY 345 HA3 0.01 0.07 0.29 -0.51 4.01 3.86 3h4mC1 ARG 346 H 0.01 0.56 -0.24 -0.55 8.46 8.23 3h4mC1 ARG 346 HA 0.02 0.03 0.33 -0.75 4.34 3.97 3h4mC1 ARG 346 HB2 0.00 0.10 0.17 -0.04 1.90 2.13 3h4mC1 ARG 346 HB3 0.01 -0.03 0.02 -0.04 1.80 1.76 3h4mC1 ARG 346 HG2 0.01 -0.01 0.06 -0.04 1.67 1.70 3h4mC1 ARG 346 HG3 0.01 0.23 0.02 -0.04 1.67 1.89 3h4mC1 ARG 346 HD2 0.01 -0.03 0.11 -0.04 3.22 3.27 3h4mC1 ARG 346 HD3 0.01 0.05 0.08 -0.04 3.22 3.32 3h4mC1 LEU 347 H -0.00 0.31 -0.38 -0.55 8.37 7.75 3h4mC1 LEU 347 HA -0.01 0.07 0.28 -0.75 4.35 3.93 3h4mC1 LEU 347 HB2 -0.01 0.01 0.01 -0.04 1.64 1.61 3h4mC1 LEU 347 HB3 -0.01 0.11 0.05 -0.04 1.64 1.75 3h4mC1 LEU 347 HG -0.02 0.03 -0.24 -0.04 1.64 1.38 3h4mC1 LEU 347 HD13 -0.03 -0.00 -0.23 -0.04 0.93 0.63 3h4mC1 LEU 347 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.77 3h4mC1 GLU 348 H 0.00 0.35 -0.11 -0.55 8.60 8.29 3h4mC1 GLU 348 HA -0.00 0.10 0.59 -0.75 4.29 4.23 3h4mC1 GLU 348 HB2 0.01 0.02 0.19 -0.04 2.09 2.26 3h4mC1 GLU 348 HB3 0.00 0.04 0.05 -0.04 1.99 2.04 3h4mC1 GLU 348 HG2 -0.00 0.05 0.07 -0.04 2.34 2.41 3h4mC1 GLU 348 HG3 -0.00 0.13 0.12 -0.04 2.34 2.54 3h4mC1 ILE 349 H 0.02 0.44 -0.14 -0.55 8.25 8.03 3h4mC1 ILE 349 HA 0.05 0.03 0.36 -0.75 4.18 3.87 3h4mC1 ILE 349 HB 0.05 0.18 0.15 -0.04 1.89 2.23 3h4mC1 ILE 349 HG12 0.05 -0.09 0.09 -0.04 1.49 1.50 3h4mC1 ILE 349 HG13 0.03 -0.01 -0.07 -0.04 1.21 1.11 3h4mC1 ILE 349 HG23 0.13 -0.01 -0.07 -0.04 0.93 0.94 3h4mC1 ILE 349 HD13 0.03 0.02 -0.02 -0.04 0.88 0.88 3h4mC1 LEU 350 H 0.03 0.58 -0.16 -0.55 8.37 8.28 3h4mC1 LEU 350 HA 0.08 0.03 0.39 -0.75 4.35 4.11 3h4mC1 LEU 350 HB2 -0.01 0.03 0.01 -0.04 1.64 1.63 3h4mC1 LEU 350 HB3 -0.04 -0.06 -0.05 -0.04 1.64 1.45 3h4mC1 LEU 350 HG 0.02 0.11 -0.02 -0.04 1.64 1.71 3h4mC1 LEU 350 HD13 -0.03 -0.01 -0.25 -0.04 0.93 0.58 3h4mC1 LEU 350 HD23 0.04 -0.01 -0.06 -0.04 0.89 0.82 3h4mC1 LYS 351 H 0.01 0.31 -0.56 -0.55 8.42 7.63 3h4mC1 LYS 351 HA 0.00 0.07 0.70 -0.75 4.32 4.34 3h4mC1 LYS 351 HB2 -0.01 0.10 0.15 -0.04 1.87 2.07 3h4mC1 LYS 351 HB3 -0.00 0.08 0.18 -0.04 1.79 2.00 3h4mC1 LYS 351 HG2 -0.01 0.01 -0.06 -0.04 1.46 1.36 3h4mC1 LYS 351 HG3 -0.00 -0.02 0.06 -0.04 1.46 1.46 3h4mC1 LYS 351 HD2 -0.01 -0.03 -0.01 -0.04 1.69 1.60 3h4mC1 LYS 351 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.60 3h4mC1 LYS 351 HE2 -0.01 0.02 -0.01 -0.04 2.99 2.95 3h4mC1 LYS 351 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.95 3h4mC1 ILE 352 H -0.00 0.59 0.04 -0.55 8.25 8.34 3h4mC1 ILE 352 HA -0.05 0.04 0.37 -0.75 4.18 3.78 3h4mC1 ILE 352 HB -0.10 0.04 0.17 -0.04 1.89 1.95 3h4mC1 ILE 352 HG12 -0.05 0.02 -0.02 -0.04 1.49 1.41 3h4mC1 ILE 352 HG13 -0.03 0.06 0.00 -0.04 1.21 1.21 3h4mC1 ILE 352 HG23 -0.22 0.03 -0.05 -0.04 0.93 0.64 3h4mC1 ILE 352 HD13 -0.03 -0.05 -0.34 -0.04 0.88 0.43 3h4mC1 HIS 353 H 0.09 0.43 -0.13 -0.55 8.41 8.25 3h4mC1 HIS 353 HA 0.02 0.11 0.40 -0.75 4.63 4.41 3h4mC1 HIS 353 HB2 0.03 0.07 0.05 -0.04 3.26 3.38 3h4mC1 HIS 353 HB3 0.03 -0.02 0.05 -0.04 3.20 3.23 3h4mC1 HIS 353 HD2 0.01 0.01 0.01 -0.04 6.97 6.95 3h4mC1 HIS 353 HE1 0.00 -0.06 -0.02 -0.04 7.75 7.63 3h4mC1 THR 354 H 0.07 0.23 -0.63 -0.55 8.28 7.40 3h4mC1 THR 354 HA 0.11 0.12 0.71 -0.75 4.39 4.57 3h4mC1 THR 354 HB 0.08 -0.01 0.03 -0.04 4.32 4.39 3h4mC1 THR 354 HG23 0.17 -0.03 -0.05 -0.04 1.22 1.26 3h4mC1 ARG 355 H 0.02 0.29 -0.25 -0.55 8.46 7.97 3h4mC1 ARG 355 HA 0.01 -0.01 0.39 -0.75 4.34 3.98 3h4mC1 ARG 355 HB2 -0.02 0.20 0.22 -0.04 1.90 2.26 3h4mC1 ARG 355 HB3 -0.01 -0.03 0.01 -0.04 1.80 1.72 3h4mC1 ARG 355 HG2 -0.01 -0.03 -0.12 -0.04 1.67 1.47 3h4mC1 ARG 355 HG3 -0.01 -0.05 0.06 -0.04 1.67 1.63 3h4mC1 ARG 355 HD2 -0.04 0.04 -0.00 -0.04 3.22 3.18 3h4mC1 ARG 355 HD3 -0.02 -0.07 -0.03 -0.04 3.22 3.06 3h4mC1 LYS 356 H 0.03 0.10 -0.64 -0.55 8.42 7.35 3h4mC1 LYS 356 HA 0.02 0.21 0.93 -0.75 4.32 4.72 3h4mC1 LYS 356 HB2 0.01 -0.04 -0.12 -0.04 1.87 1.68 3h4mC1 LYS 356 HB3 0.02 -0.00 0.06 -0.04 1.79 1.82 3h4mC1 LYS 356 HG2 0.01 -0.02 0.10 -0.04 1.46 1.51 3h4mC1 LYS 356 HG3 0.01 0.03 0.01 -0.04 1.46 1.47 3h4mC1 LYS 356 HD2 0.01 -0.01 0.01 -0.04 1.69 1.65 3h4mC1 LYS 356 HD3 0.00 -0.02 0.00 -0.04 1.68 1.63 3h4mC1 LYS 356 HE2 -0.00 -0.01 -0.04 -0.04 2.99 2.90 3h4mC1 LYS 356 HE3 -0.00 0.01 -0.08 -0.04 2.99 2.88 3h4mC1 MET 357 H 0.05 0.87 0.03 -0.55 8.47 8.87 3h4mC1 MET 357 HA 0.03 0.14 0.99 -0.75 4.52 4.92 3h4mC1 MET 357 HB2 0.04 -0.01 0.05 -0.04 2.15 2.18 3h4mC1 MET 357 HB3 0.04 0.01 -0.08 -0.04 2.03 1.96 3h4mC1 MET 357 HG2 0.09 0.01 0.19 -0.04 2.63 2.88 3h4mC1 MET 357 HG3 0.11 -0.02 -0.05 -0.04 2.56 2.55 3h4mC1 MET 357 HE3 -0.01 0.02 -0.02 -0.04 2.10 2.04 3h4mC1 ASN 358 H 0.04 0.14 0.12 -0.55 8.53 8.28 3h4mC1 ASN 358 HA 0.05 0.03 0.44 -0.75 4.76 4.53 3h4mC1 ASN 358 HB2 0.05 -0.01 0.15 -0.04 2.88 3.03 3h4mC1 ASN 358 HB3 0.06 0.08 0.22 -0.04 2.79 3.11 3h4mC1 ASN 358 HD21 0.10 -0.14 -0.04 -0.04 7.03 6.91 3h4mC1 ASN 358 HD22 0.08 0.22 0.14 -0.04 7.74 8.15 3h4mC1 LEU 359 H 0.06 0.23 0.25 -0.55 8.37 8.37 3h4mC1 LEU 359 HA 0.13 -0.01 1.04 -0.75 4.35 4.75 3h4mC1 LEU 359 HB2 0.06 0.03 0.04 -0.04 1.64 1.74 3h4mC1 LEU 359 HB3 0.12 -0.03 0.07 -0.04 1.64 1.75 3h4mC1 LEU 359 HG 0.09 0.24 -0.09 -0.04 1.64 1.84 3h4mC1 LEU 359 HD13 0.07 -0.03 -0.06 -0.04 0.93 0.87 3h4mC1 LEU 359 HD23 0.23 0.03 -0.24 -0.04 0.89 0.87 3h4mC1 ALA 360 H 0.11 0.30 0.13 -0.55 8.40 8.40 3h4mC1 ALA 360 HA -0.03 0.14 0.51 -0.75 4.34 4.22 3h4mC1 ALA 360 HB3 -0.02 -0.02 0.02 -0.04 1.41 1.35 3h4mC1 GLU 361 H -0.04 0.11 0.15 -0.55 8.60 8.28 3h4mC1 GLU 361 HA -0.01 0.20 0.51 -0.75 4.29 4.24 3h4mC1 GLU 361 HB2 -0.03 -0.01 0.17 -0.04 2.09 2.17 3h4mC1 GLU 361 HB3 -0.02 0.00 -0.00 -0.04 1.99 1.93 3h4mC1 GLU 361 HG2 -0.01 0.05 0.06 -0.04 2.34 2.39 3h4mC1 GLU 361 HG3 -0.02 0.01 0.04 -0.04 2.34 2.33 3h4mC1 ASP 362 H -0.01 0.02 -0.12 -0.55 8.40 7.75 3h4mC1 ASP 362 HA 0.00 0.17 0.50 -0.75 4.63 4.55 3h4mC1 ASP 362 HB2 0.02 -0.01 0.20 -0.04 2.71 2.88 3h4mC1 ASP 362 HB3 0.00 0.05 0.09 -0.04 2.70 2.80 3h4mC1 VAL 363 H 0.01 0.62 -0.70 -0.55 8.24 7.62 3h4mC1 VAL 363 HA 0.02 0.02 0.87 -0.75 4.13 4.28 3h4mC1 VAL 363 HB 0.03 0.17 -0.02 -0.04 2.12 2.27 3h4mC1 VAL 363 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.73 3h4mC1 VAL 363 HG23 0.11 -0.07 -0.24 -0.04 0.95 0.71 3h4mC1 ASN 364 H -0.05 0.19 0.08 -0.55 8.53 8.21 3h4mC1 ASN 364 HA -0.05 0.21 0.90 -0.75 4.76 5.08 3h4mC1 ASN 364 HB2 -0.02 0.14 -0.05 -0.04 2.88 2.91 3h4mC1 ASN 364 HB3 -0.03 0.01 0.02 -0.04 2.79 2.75 3h4mC1 ASN 364 HD21 -0.02 -0.03 -0.07 -0.04 7.03 6.86 3h4mC1 ASN 364 HD22 -0.02 0.09 -0.04 -0.04 7.74 7.73 3h4mC1 LEU 365 H -0.07 0.21 0.13 -0.55 8.37 8.09 3h4mC1 LEU 365 HA -0.17 0.16 0.40 -0.75 4.35 3.98 3h4mC1 LEU 365 HB2 -0.08 0.03 0.03 -0.04 1.64 1.58 3h4mC1 LEU 365 HB3 -0.09 0.03 -0.08 -0.04 1.64 1.46 3h4mC1 LEU 365 HG -0.20 -0.06 -0.21 -0.04 1.64 1.14 3h4mC1 LEU 365 HD13 -0.07 0.04 -0.12 -0.04 0.93 0.74 3h4mC1 LEU 365 HD23 -0.32 0.00 -0.10 -0.04 0.89 0.43 3h4mC1 GLU 366 H -0.05 0.11 -0.01 -0.55 8.60 8.11 3h4mC1 GLU 366 HA -0.03 0.10 0.43 -0.75 4.29 4.03 3h4mC1 GLU 366 HB2 -0.02 -0.02 0.05 -0.04 2.09 2.05 3h4mC1 GLU 366 HB3 -0.02 0.05 -0.05 -0.04 1.99 1.94 3h4mC1 GLU 366 HG2 -0.02 0.05 0.00 -0.04 2.34 2.34 3h4mC1 GLU 366 HG3 -0.02 0.01 0.02 -0.04 2.34 2.30 3h4mC1 GLU 367 H -0.04 0.09 -0.33 -0.55 8.60 7.78 3h4mC1 GLU 367 HA -0.02 0.08 0.30 -0.75 4.29 3.90 3h4mC1 GLU 367 HB2 -0.02 -0.04 0.02 -0.04 2.09 2.01 3h4mC1 GLU 367 HB3 -0.04 0.10 0.03 -0.04 1.99 2.04 3h4mC1 GLU 367 HG2 -0.01 -0.01 -0.07 -0.04 2.34 2.22 3h4mC1 GLU 367 HG3 -0.01 0.05 -0.26 -0.04 2.34 2.08 3h4mC1 ILE 368 H -0.07 0.12 -0.35 -0.55 8.25 7.40 3h4mC1 ILE 368 HA -0.02 0.08 0.06 -0.75 4.18 3.55 3h4mC1 ILE 368 HB -0.13 0.07 -0.03 -0.04 1.89 1.76 3h4mC1 ILE 368 HG12 -0.05 0.00 -0.07 -0.04 1.49 1.33 3h4mC1 ILE 368 HG13 -0.10 -0.07 0.06 -0.04 1.21 1.05 3h4mC1 ILE 368 HG23 -0.01 0.01 -0.04 -0.04 0.93 0.85 3h4mC1 ILE 368 HD13 -0.45 -0.02 -0.06 -0.04 0.88 0.30 3h4mC1 ALA 369 H -0.04 0.25 -0.54 -0.55 8.40 7.53 3h4mC1 ALA 369 HA -0.01 0.10 0.64 -0.75 4.34 4.31 3h4mC1 ALA 369 HB3 -0.02 0.03 0.07 -0.04 1.41 1.45 3h4mC1 LYS 370 H -0.01 0.44 -0.02 -0.55 8.42 8.28 3h4mC1 LYS 370 HA -0.00 0.02 0.57 -0.75 4.32 4.15 3h4mC1 LYS 370 HB2 -0.01 -0.06 0.12 -0.04 1.87 1.88 3h4mC1 LYS 370 HB3 -0.00 0.06 0.18 -0.04 1.79 1.99 3h4mC1 LYS 370 HG2 -0.00 0.03 0.14 -0.04 1.46 1.59 3h4mC1 LYS 370 HG3 -0.00 -0.04 0.08 -0.04 1.46 1.46 3h4mC1 LYS 370 HD2 -0.00 -0.04 0.03 -0.04 1.69 1.64 3h4mC1 LYS 370 HD3 -0.00 0.02 0.04 -0.04 1.68 1.70 3h4mC1 LYS 370 HE2 0.00 0.02 0.02 -0.04 2.99 3.00 3h4mC1 LYS 370 HE3 0.00 -0.01 0.03 -0.04 2.99 2.97 3h4mC1 MET 371 H 0.00 0.28 -0.85 -0.55 8.47 7.35 3h4mC1 MET 371 HA 0.01 0.06 0.60 -0.75 4.52 4.44 3h4mC1 MET 371 HB2 -0.00 0.29 -0.41 -0.04 2.15 1.99 3h4mC1 MET 371 HB3 0.00 0.01 -0.15 -0.04 2.03 1.85 3h4mC1 MET 371 HG2 0.02 -0.02 0.08 -0.04 2.63 2.66 3h4mC1 MET 371 HG3 0.01 0.01 0.06 -0.04 2.56 2.60 3h4mC1 MET 371 HE3 0.02 -0.02 -0.13 -0.04 2.10 1.93 3h4mC1 THR 372 H 0.01 0.17 0.01 -0.55 8.28 7.91 3h4mC1 THR 372 HA 0.01 0.19 0.74 -0.75 4.39 4.58 3h4mC1 THR 372 HB 0.01 -0.10 0.25 -0.04 4.32 4.44 3h4mC1 THR 372 HG23 0.02 -0.00 -0.03 -0.04 1.22 1.17 3h4mC1 GLU 373 H 0.01 0.12 -0.10 -0.55 8.60 8.08 3h4mC1 GLU 373 HA 0.01 -0.02 0.41 -0.75 4.29 3.94 3h4mC1 GLU 373 HB2 0.01 0.04 0.07 -0.04 2.09 2.17 3h4mC1 GLU 373 HB3 0.01 0.02 0.00 -0.04 1.99 1.98 3h4mC1 GLU 373 HG2 0.01 -0.02 -0.03 -0.04 2.34 2.25 3h4mC1 GLU 373 HG3 0.01 0.04 -0.01 -0.04 2.34 2.34 3h4mC1 GLY 374 H 0.01 0.12 0.20 -0.55 8.43 8.21 3h4mC1 GLY 374 HA2 0.01 -0.02 0.34 -0.51 4.01 3.83 3h4mC1 GLY 374 HA3 0.01 0.06 0.28 -0.51 4.01 3.84 3h4mC1 CYS 375 H 0.01 0.43 -0.42 -0.55 8.50 7.97 3h4mC1 CYS 375 HA 0.01 0.01 0.47 -0.75 4.58 4.33 3h4mC1 CYS 375 HB2 0.01 0.18 0.11 -0.04 2.97 3.24 3h4mC1 CYS 375 HB3 0.01 -0.05 -0.05 -0.04 2.97 2.84 3h4mC1 VAL 376 H 0.01 0.07 0.23 -0.55 8.24 8.01 3h4mC1 VAL 376 HA 0.02 0.16 0.60 -0.75 4.13 4.16 3h4mC1 VAL 376 HB 0.02 0.07 0.08 -0.04 2.12 2.25 3h4mC1 VAL 376 HG13 0.02 0.05 0.04 -0.04 0.97 1.03 3h4mC1 VAL 376 HG23 0.01 -0.06 0.09 -0.04 0.95 0.95 3h4mC1 GLY 377 H 0.02 0.20 0.32 -0.55 8.43 8.42 3h4mC1 GLY 377 HA2 0.03 0.06 0.45 -0.51 4.01 4.05 3h4mC1 GLY 377 HA3 0.04 0.08 0.37 -0.51 4.01 3.98 3h4mC1 ALA 378 H 0.01 0.73 0.08 -0.55 8.40 8.68 3h4mC1 ALA 378 HA -0.03 0.04 0.40 -0.75 4.34 4.00 3h4mC1 ALA 378 HB3 0.00 -0.02 0.11 -0.04 1.41 1.46 3h4mC1 GLU 379 H -0.00 0.15 -0.27 -0.55 8.60 7.93 3h4mC1 GLU 379 HA -0.01 0.06 0.44 -0.75 4.29 4.02 3h4mC1 GLU 379 HB2 0.01 0.08 0.13 -0.04 2.09 2.26 3h4mC1 GLU 379 HB3 0.01 0.04 -0.00 -0.04 1.99 1.99 3h4mC1 GLU 379 HG2 0.00 0.04 0.03 -0.04 2.34 2.37 3h4mC1 GLU 379 HG3 0.01 -0.07 0.05 -0.04 2.34 2.28 3h4mC1 LEU 380 H -0.00 0.52 -0.11 -0.55 8.37 8.23 3h4mC1 LEU 380 HA 0.02 0.04 0.50 -0.75 4.35 4.15 3h4mC1 LEU 380 HB2 0.01 0.07 0.05 -0.04 1.64 1.73 3h4mC1 LEU 380 HB3 0.03 -0.04 0.00 -0.04 1.64 1.59 3h4mC1 LEU 380 HG 0.01 0.20 -0.09 -0.04 1.64 1.72 3h4mC1 LEU 380 HD13 0.03 -0.00 -0.07 -0.04 0.93 0.84 3h4mC1 LEU 380 HD23 0.02 0.00 -0.02 -0.04 0.89 0.85 3h4mC1 LYS 381 H -0.09 0.58 -0.21 -0.55 8.42 8.15 3h4mC1 LYS 381 HA -0.34 0.01 0.38 -0.75 4.32 3.62 3h4mC1 LYS 381 HB2 -0.19 0.08 0.19 -0.04 1.87 1.91 3h4mC1 LYS 381 HB3 -0.13 0.07 0.12 -0.04 1.79 1.81 3h4mC1 LYS 381 HG2 -0.93 -0.00 0.03 -0.04 1.46 0.52 3h4mC1 LYS 381 HG3 -0.20 -0.05 -0.00 -0.04 1.46 1.16 3h4mC1 LYS 381 HD2 -0.11 -0.01 -0.12 -0.04 1.69 1.42 3h4mC1 LYS 381 HD3 -0.19 -0.05 -0.06 -0.04 1.68 1.34 3h4mC1 LYS 381 HE2 -0.10 0.01 -0.01 -0.04 2.99 2.85 3h4mC1 LYS 381 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.88 3h4mC1 ALA 382 H -0.05 0.40 -0.16 -0.55 8.40 8.03 3h4mC1 ALA 382 HA -0.04 0.01 0.35 -0.75 4.34 3.90 3h4mC1 ALA 382 HB3 -0.02 0.04 0.10 -0.04 1.41 1.49 3h4mC1 ILE 383 H -0.00 0.38 -0.38 -0.55 8.25 7.69 3h4mC1 ILE 383 HA 0.01 0.01 0.36 -0.75 4.18 3.80 3h4mC1 ILE 383 HB 0.07 0.18 0.17 -0.04 1.89 2.27 3h4mC1 ILE 383 HG12 0.03 0.08 -0.10 -0.04 1.49 1.46 3h4mC1 ILE 383 HG13 0.02 0.20 0.07 -0.04 1.21 1.46 3h4mC1 ILE 383 HG23 0.18 -0.04 -0.17 -0.04 0.93 0.86 3h4mC1 ILE 383 HD13 0.04 -0.03 -0.03 -0.04 0.88 0.82 3h4mC1 CYS 384 H 0.04 0.53 -0.13 -0.55 8.50 8.39 3h4mC1 CYS 384 HA 0.06 0.00 0.47 -0.75 4.58 4.36 3h4mC1 CYS 384 HB2 0.05 0.11 0.00 -0.04 2.97 3.09 3h4mC1 CYS 384 HB3 0.16 -0.01 -0.03 -0.04 2.97 3.05 3h4mC1 THR 385 H -0.03 0.42 -0.13 -0.55 8.28 7.99 3h4mC1 THR 385 HA -0.04 0.08 0.57 -0.75 4.39 4.25 3h4mC1 THR 385 HB -0.03 -0.03 0.06 -0.04 4.32 4.28 3h4mC1 THR 385 HG23 -0.03 0.06 0.01 -0.04 1.22 1.22 3h4mC1 GLU 386 H -0.05 0.62 -0.11 -0.55 8.60 8.51 3h4mC1 GLU 386 HA -0.06 0.04 0.50 -0.75 4.29 4.01 3h4mC1 GLU 386 HB2 -0.04 0.29 0.18 -0.04 2.09 2.49 3h4mC1 GLU 386 HB3 -0.06 -0.02 0.05 -0.04 1.99 1.93 3h4mC1 GLU 386 HG2 -0.03 -0.01 0.03 -0.04 2.34 2.28 3h4mC1 GLU 386 HG3 -0.02 -0.01 0.01 -0.04 2.34 2.28 3h4mC1 ALA 387 H -0.18 0.73 0.01 -0.55 8.40 8.41 3h4mC1 ALA 387 HA -0.24 0.08 0.44 -0.75 4.34 3.87 3h4mC1 ALA 387 HB3 -0.85 -0.01 -0.04 -0.04 1.41 0.47 3h4mC1 GLY 388 H -0.19 0.54 -0.36 -0.55 8.43 7.87 3h4mC1 GLY 388 HA2 -0.12 -0.01 0.39 -0.51 4.01 3.77 3h4mC1 GLY 388 HA3 -0.09 0.13 0.29 -0.51 4.01 3.83 3h4mC1 MET 389 H -0.09 0.39 -0.38 -0.55 8.47 7.83 3h4mC1 MET 389 HA -0.06 0.01 0.41 -0.75 4.52 4.12 3h4mC1 MET 389 HB2 -0.06 0.14 0.21 -0.04 2.15 2.40 3h4mC1 MET 389 HB3 -0.04 -0.08 0.06 -0.04 2.03 1.92 3h4mC1 MET 389 HG2 -0.05 0.11 0.09 -0.04 2.63 2.74 3h4mC1 MET 389 HG3 -0.04 -0.04 0.02 -0.04 2.56 2.46 3h4mC1 MET 389 HE3 -0.04 -0.02 -0.02 -0.04 2.10 1.99 3h4mC1 ASN 390 H -0.10 0.49 -0.15 -0.55 8.53 8.22 3h4mC1 ASN 390 HA -0.06 0.01 0.52 -0.75 4.76 4.48 3h4mC1 ASN 390 HB2 -0.12 0.20 0.26 -0.04 2.88 3.18 3h4mC1 ASN 390 HB3 -0.06 -0.12 0.04 -0.04 2.79 2.60 3h4mC1 ASN 390 HD21 -0.04 -0.12 -0.09 -0.04 7.03 6.73 3h4mC1 ASN 390 HD22 -0.08 0.06 0.30 -0.04 7.74 7.99 3h4mC1 ALA 391 H -0.10 0.47 -0.26 -0.55 8.40 7.96 3h4mC1 ALA 391 HA -0.09 -0.03 0.41 -0.75 4.34 3.88 3h4mC1 ALA 391 HB3 -0.10 0.05 0.06 -0.04 1.41 1.38 3h4mC1 ILE 392 H -0.07 0.28 -0.33 -0.55 8.25 7.57 3h4mC1 ILE 392 HA -0.07 0.03 0.48 -0.75 4.18 3.87 3h4mC1 ILE 392 HB -0.05 0.10 0.17 -0.04 1.89 2.07 3h4mC1 ILE 392 HG12 -0.06 0.06 0.01 -0.04 1.49 1.45 3h4mC1 ILE 392 HG13 -0.05 -0.02 -0.05 -0.04 1.21 1.05 3h4mC1 ILE 392 HG23 -0.04 -0.01 -0.08 -0.04 0.93 0.76 3h4mC1 ILE 392 HD13 -0.04 -0.02 -0.02 -0.04 0.88 0.77 3h4mC1 ARG 393 H -0.05 0.50 -0.00 -0.55 8.46 8.36 3h4mC1 ARG 393 HA -0.03 0.03 0.47 -0.75 4.34 4.05 3h4mC1 ARG 393 HB2 -0.04 0.07 0.10 -0.04 1.90 1.99 3h4mC1 ARG 393 HB3 -0.03 -0.05 0.07 -0.04 1.80 1.76 3h4mC1 ARG 393 HG2 -0.03 -0.06 0.07 -0.04 1.67 1.61 3h4mC1 ARG 393 HG3 -0.04 0.38 0.16 -0.04 1.67 2.13 3h4mC1 ARG 393 HD2 -0.03 -0.02 0.02 -0.04 3.22 3.15 3h4mC1 ARG 393 HD3 -0.02 -0.04 0.01 -0.04 3.22 3.12 3h4mC1 GLU 394 H -0.06 0.26 -0.44 -0.55 8.60 7.82 3h4mC1 GLU 394 HA -0.04 0.13 0.71 -0.75 4.29 4.34 3h4mC1 GLU 394 HB2 -0.06 0.07 0.05 -0.04 2.09 2.12 3h4mC1 GLU 394 HB3 -0.05 -0.04 0.12 -0.04 1.99 1.99 3h4mC1 GLU 394 HG2 -0.02 -0.00 0.02 -0.04 2.34 2.29 3h4mC1 GLU 394 HG3 -0.03 -0.02 -0.11 -0.04 2.34 2.14 3h4mC1 LEU 395 H -0.06 0.45 -0.59 -0.55 8.37 7.62 3h4mC1 LEU 395 HA -0.07 0.05 0.38 -0.75 4.35 3.96 3h4mC1 LEU 395 HB2 -0.04 0.06 0.03 -0.04 1.64 1.64 3h4mC1 LEU 395 HB3 -0.04 -0.08 0.12 -0.04 1.64 1.60 3h4mC1 LEU 395 HG -0.03 0.04 -0.22 -0.04 1.64 1.39 3h4mC1 LEU 395 HD13 -0.02 -0.03 -0.01 -0.04 0.93 0.83 3h4mC1 LEU 395 HD23 -0.03 0.07 0.05 -0.04 0.89 0.93 3h4mC1 ARG 396 H -0.15 0.47 0.12 -0.55 8.46 8.35 3h4mC1 ARG 396 HA -0.27 0.15 0.96 -0.75 4.34 4.42 3h4mC1 ARG 396 HB2 -0.39 0.10 0.10 -0.04 1.90 1.67 3h4mC1 ARG 396 HB3 -1.17 -0.16 0.09 -0.04 1.80 0.52 3h4mC1 ARG 396 HG2 -0.24 -0.01 -0.03 -0.04 1.67 1.34 3h4mC1 ARG 396 HG3 -0.17 0.25 -0.64 -0.04 1.67 1.06 3h4mC1 ARG 396 HD2 -0.09 -0.10 -0.02 -0.04 3.22 2.97 3h4mC1 ARG 396 HD3 -0.08 0.01 -0.04 -0.04 3.22 3.08 3h4mC1 ASP 397 H -0.33 0.16 0.12 -0.55 8.40 7.80 3h4mC1 ASP 397 HA -0.04 0.11 0.38 -0.75 4.63 4.32 3h4mC1 ASP 397 HB2 0.07 0.00 0.13 -0.04 2.71 2.86 3h4mC1 ASP 397 HB3 0.31 -0.02 -0.03 -0.04 2.70 2.92 3h4mC1 TYR 398 H -0.49 0.16 -0.70 -0.55 8.29 6.71 3h4mC1 TYR 398 HA 0.01 0.29 0.75 -0.75 4.56 4.86 3h4mC1 TYR 398 HB2 0.02 -0.08 -0.19 -0.04 3.06 2.77 3h4mC1 TYR 398 HB3 0.01 0.10 -0.37 -0.04 2.98 2.68 3h4mC1 TYR 398 HD2 0.01 0.00 -0.26 -0.04 7.15 6.87 3h4mC1 TYR 398 HE2 0.01 0.02 -0.02 -0.04 6.85 6.82 3h4mC1 VAL 399 H 0.15 0.29 0.21 -0.55 8.24 8.35 3h4mC1 VAL 399 HA 0.02 0.16 0.95 -0.75 4.13 4.51 3h4mC1 VAL 399 HB 0.13 0.01 0.09 -0.04 2.12 2.31 3h4mC1 VAL 399 HG13 -0.23 0.02 -0.16 -0.04 0.97 0.57 3h4mC1 VAL 399 HG23 -0.04 0.06 -0.09 -0.04 0.95 0.83 3h4mC1 THR 400 H 0.07 0.15 0.17 -0.55 8.28 8.13 3h4mC1 THR 400 HA 0.13 0.19 0.70 -0.75 4.39 4.66 3h4mC1 THR 400 HB 0.08 -0.18 0.06 -0.04 4.32 4.23 3h4mC1 THR 400 HG23 0.07 -0.01 0.12 -0.04 1.22 1.36 3h4mC1 MET 401 H 0.11 0.36 0.21 -0.55 8.47 8.60 3h4mC1 MET 401 HA 0.22 0.09 0.52 -0.75 4.52 4.59 3h4mC1 MET 401 HB2 0.06 0.01 0.21 -0.04 2.15 2.39 3h4mC1 MET 401 HB3 0.06 0.03 0.02 -0.04 2.03 2.09 3h4mC1 MET 401 HG2 0.04 0.26 0.33 -0.04 2.63 3.22 3h4mC1 MET 401 HG3 0.02 0.03 0.07 -0.04 2.56 2.64 3h4mC1 MET 401 HE3 -0.01 0.00 0.02 -0.04 2.10 2.07 3h4mC1 ASP 402 H 0.08 0.12 -0.12 -0.55 8.40 7.93 3h4mC1 ASP 402 HA 0.05 0.08 0.41 -0.75 4.63 4.42 3h4mC1 ASP 402 HB2 0.04 0.05 0.10 -0.04 2.71 2.85 3h4mC1 ASP 402 HB3 0.04 -0.05 0.06 -0.04 2.70 2.71 3h4mC1 ASP 403 H 0.05 0.11 -0.32 -0.55 8.40 7.69 3h4mC1 ASP 403 HA -0.04 0.06 0.33 -0.75 4.63 4.22 3h4mC1 ASP 403 HB2 -0.16 0.13 0.12 -0.04 2.71 2.75 3h4mC1 ASP 403 HB3 -0.17 0.20 0.16 -0.04 2.70 2.84 3h4mC1 PHE 404 H 0.18 0.34 -0.15 -0.55 8.34 8.15 3h4mC1 PHE 404 HA 0.01 0.07 0.57 -0.75 4.62 4.51 3h4mC1 PHE 404 HB2 0.01 0.11 0.16 -0.04 3.15 3.39 3h4mC1 PHE 404 HB3 0.01 -0.02 -0.01 -0.04 3.06 2.99 3h4mC1 PHE 404 HD2 0.01 0.03 -0.09 -0.04 7.28 7.19 3h4mC1 PHE 404 HE2 0.02 0.01 -0.13 -0.04 7.38 7.24 3h4mC1 PHE 404 HZ 0.02 0.07 -0.08 -0.04 7.32 7.29 3h4mC1 ARG 405 H 0.13 0.48 -0.18 -0.55 8.46 8.34 3h4mC1 ARG 405 HA 0.08 0.04 0.46 -0.75 4.34 4.17 3h4mC1 ARG 405 HB2 0.05 0.08 0.21 -0.04 1.90 2.20 3h4mC1 ARG 405 HB3 0.04 -0.02 0.03 -0.04 1.80 1.82 3h4mC1 ARG 405 HG2 0.05 -0.00 -0.02 -0.04 1.67 1.66 3h4mC1 ARG 405 HG3 0.08 0.15 -0.10 -0.04 1.67 1.76 3h4mC1 ARG 405 HD2 0.04 -0.07 -0.10 -0.04 3.22 3.04 3h4mC1 ARG 405 HD3 0.03 0.03 -0.03 -0.04 3.22 3.21 3h4mC1 LYS 406 H 0.03 0.56 -0.02 -0.55 8.42 8.43 3h4mC1 LYS 406 HA 0.01 0.06 0.65 -0.75 4.32 4.29 3h4mC1 LYS 406 HB2 -0.01 0.09 0.11 -0.04 1.87 2.02 3h4mC1 LYS 406 HB3 -0.01 -0.00 0.03 -0.04 1.79 1.77 3h4mC1 LYS 406 HG2 0.01 -0.01 0.02 -0.04 1.46 1.43 3h4mC1 LYS 406 HG3 0.01 -0.00 0.01 -0.04 1.46 1.43 3h4mC1 LYS 406 HD2 -0.01 0.01 -0.00 -0.04 1.69 1.65 3h4mC1 LYS 406 HD3 -0.00 0.00 0.02 -0.04 1.68 1.65 3h4mC1 LYS 406 HE2 0.00 -0.01 -0.01 -0.04 2.99 2.93 3h4mC1 LYS 406 HE3 0.00 -0.01 -0.01 -0.04 2.99 2.93 3h4mC1 ALA 407 H 0.01 0.29 -0.35 -0.55 8.40 7.80 3h4mC1 ALA 407 HA -0.01 0.04 0.62 -0.75 4.34 4.23 3h4mC1 ALA 407 HB3 -0.03 0.02 0.20 -0.04 1.41 1.57 3h4mC1 VAL 408 H 0.08 0.95 0.11 -0.55 8.24 8.83 3h4mC1 VAL 408 HA 0.05 0.00 0.52 -0.75 4.13 3.94 3h4mC1 VAL 408 HB 0.05 0.03 0.13 -0.04 2.12 2.28 3h4mC1 VAL 408 HG13 0.03 0.01 0.04 -0.04 0.97 1.01 3h4mC1 VAL 408 HG23 0.10 0.14 0.07 -0.04 0.95 1.22 3h4mC1 GLU 409 H 0.03 0.57 -0.18 -0.55 8.60 8.47 3h4mC1 GLU 409 HA 0.02 0.02 0.39 -0.75 4.29 3.96 3h4mC1 GLU 409 HB2 0.02 0.30 0.31 -0.04 2.09 2.68 3h4mC1 GLU 409 HB3 0.01 0.06 0.16 -0.04 1.99 2.18 3h4mC1 GLU 409 HG2 0.01 -0.03 0.00 -0.04 2.34 2.28 3h4mC1 GLU 409 HG3 0.01 -0.02 -0.05 -0.04 2.34 2.23 3h4mC1 LYS 410 H 0.01 0.56 -0.22 -0.55 8.42 8.21 3h4mC1 LYS 410 HA 0.00 0.01 0.20 -0.75 4.32 3.78 3h4mC1 LYS 410 HB2 -0.00 0.24 0.20 -0.04 1.87 2.27 3h4mC1 LYS 410 HB3 -0.00 0.00 0.11 -0.04 1.79 1.86 3h4mC1 LYS 410 HG2 -0.00 -0.04 -0.05 -0.04 1.46 1.33 3h4mC1 LYS 410 HG3 -0.00 -0.02 0.02 -0.04 1.46 1.42 3h4mC1 LYS 410 HD2 -0.01 0.01 -0.01 -0.04 1.69 1.64 3h4mC1 LYS 410 HD3 -0.01 -0.01 -0.03 -0.04 1.68 1.59 3h4mC1 LYS 410 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.90 3h4mC1 LYS 410 HE3 -0.01 -0.00 -0.02 -0.04 2.99 2.92 3h4mC1 ILE 411 H 0.01 0.49 -0.13 -0.55 8.25 8.06 3h4mC1 ILE 411 HA 0.00 0.03 0.52 -0.75 4.18 3.97 3h4mC1 ILE 411 HB 0.01 0.19 0.16 -0.04 1.89 2.21 3h4mC1 ILE 411 HG12 -0.00 -0.04 0.03 -0.04 1.49 1.43 3h4mC1 ILE 411 HG13 -0.00 -0.04 -0.03 -0.04 1.21 1.10 3h4mC1 ILE 411 HG23 0.01 0.01 -0.07 -0.04 0.93 0.84 3h4mC1 ILE 411 HD13 -0.00 0.03 -0.10 -0.04 0.88 0.78 3h4mC1 MET 412 H 0.01 0.66 -0.10 -0.55 8.47 8.50 3h4mC1 MET 412 HA 0.01 -0.00 0.59 -0.75 4.52 4.36 3h4mC1 MET 412 HB2 0.01 0.25 0.17 -0.04 2.15 2.54 3h4mC1 MET 412 HB3 0.01 -0.08 0.07 -0.04 2.03 1.99 3h4mC1 MET 412 HG2 0.02 -0.11 0.04 -0.04 2.63 2.54 3h4mC1 MET 412 HG3 0.02 0.07 0.08 -0.04 2.56 2.69 3h4mC1 MET 412 HE3 0.01 0.00 0.02 -0.04 2.10 2.09 3h4mC1 GLU 413 H 0.01 0.48 -0.28 -0.55 8.60 8.27 3h4mC1 GLU 413 HA 0.01 0.10 0.83 -0.75 4.29 4.47 3h4mC1 GLU 413 HB2 0.00 0.11 0.04 -0.04 2.09 2.20 3h4mC1 GLU 413 HB3 0.00 -0.06 0.06 -0.04 1.99 1.95 3h4mC1 GLU 413 HG2 0.01 -0.03 0.01 -0.04 2.34 2.28 3h4mC1 GLU 413 HG3 0.01 0.06 -0.06 -0.04 2.34 2.30 3h4mC1 LYS 414 H 0.00 0.22 -0.23 -0.55 8.42 7.86 3h4mC1 LYS 414 HA 0.00 0.11 0.75 -0.75 4.32 4.43 3h4mC1 LYS 414 HB2 0.00 0.04 0.11 -0.04 1.87 1.98 3h4mC1 LYS 414 HB3 0.00 0.05 0.22 -0.04 1.79 2.02 3h4mC1 LYS 414 HG2 0.00 -0.03 -0.10 -0.04 1.46 1.29 3h4mC1 LYS 414 HG3 0.00 -0.02 0.08 -0.04 1.46 1.48 3h4mC1 LYS 414 HD2 -0.00 0.01 0.01 -0.04 1.69 1.67 3h4mC1 LYS 414 HD3 -0.00 -0.02 -0.01 -0.04 1.68 1.61 3h4mC1 LYS 414 HE2 -0.00 -0.03 -0.01 -0.04 2.99 2.90 3h4mC1 LYS 414 HE3 0.00 0.00 -0.00 -0.04 2.99 2.95 3h4mC1 LYS 415 H 0.01 0.51 0.04 -0.55 8.42 8.43 3h4mC1 LYS 415 HA 0.01 0.07 0.65 -0.75 4.32 4.30 3h4mC1 LYS 415 HB2 0.01 -0.00 0.14 -0.04 1.87 1.97 3h4mC1 LYS 415 HB3 0.01 0.07 0.08 -0.04 1.79 1.91 3h4mC1 LYS 415 HG2 0.01 0.02 0.01 -0.04 1.46 1.46 3h4mC1 LYS 415 HG3 0.01 -0.05 0.09 -0.04 1.46 1.46 3h4mC1 LYS 415 HD2 0.01 -0.09 0.00 -0.04 1.69 1.57 3h4mC1 LYS 415 HD3 0.01 0.06 -0.04 -0.04 1.68 1.67 3h4mC1 LYS 415 HE2 0.01 0.00 -0.02 -0.04 2.99 2.94 3h4mC1 LYS 415 HE3 0.01 -0.05 0.02 -0.04 2.99 2.93 3h4mC1 LYS 416 H 0.01 0.12 -0.56 -0.55 8.42 7.43 3h4mC1 LYS 416 HA 0.01 0.06 0.32 -0.75 4.32 3.95 3h4mC1 LYS 416 HB2 0.01 0.11 0.22 -0.04 1.87 2.17 3h4mC1 LYS 416 HB3 0.01 -0.06 0.10 -0.04 1.79 1.80 3h4mC1 LYS 416 HG2 0.01 -0.07 0.06 -0.04 1.46 1.42 3h4mC1 LYS 416 HG3 0.01 0.06 0.07 -0.04 1.46 1.56 3h4mC1 LYS 416 HD2 0.01 0.04 0.01 -0.04 1.69 1.71 3h4mC1 LYS 416 HD3 0.01 -0.04 0.05 -0.04 1.68 1.66 3h4mC1 LYS 416 HE2 0.01 -0.03 0.02 -0.04 2.99 2.94 3h4mC1 LYS 416 HE3 0.01 -0.01 0.00 -0.04 2.99 2.95 3h4mC1 VAL 417 H 0.01 0.20 -1.08 -0.55 8.24 6.81 3h4mC1 VAL 417 HA 0.00 -0.05 0.44 -0.75 4.13 3.78 3h4mC1 VAL 417 HB 0.00 0.03 0.11 -0.04 2.12 2.22 3h4mC1 VAL 417 HG13 0.00 -0.03 -0.10 -0.04 0.97 0.81 3h4mC1 VAL 417 HG23 0.00 0.03 0.02 -0.04 0.95 0.97 3h4mC1 LYS 418 H 0.00 0.08 0.15 -0.55 8.42 8.10 3h4mC1 LYS 418 HA 0.00 0.21 0.67 -0.75 4.32 4.44