============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 42 rings ring int. center anis. iso. PHE 1 1.000 -34.240 5.641 -10.321 -99.200 -91.000 TYR 8 0.840 -50.673 15.186 -14.796 -99.200 -91.000 TRP 9 1.040 -52.936 24.153 -13.478 -99.200 -91.000 TRP6 9 1.020 -53.191 26.130 -14.746 -99.200 -91.000 HIS 11 0.900 -62.494 21.476 -14.601 -99.200 -91.000 HIS 25 0.900 -54.803 2.803 -6.926 -99.200 -91.000 TYR 40 0.840 -43.894 35.054 -4.862 -99.200 -91.000 PHE 41 1.000 -40.750 41.480 0.954 -99.200 -91.000 TYR 49 0.840 -45.850 41.702 -13.704 -99.200 -91.000 TYR 50 0.840 -43.723 45.764 -15.900 -99.200 -91.000 HIS 62 0.900 -34.828 39.214 -3.994 -99.200 -91.000 TRP 66 1.040 -45.902 30.940 7.607 -99.200 -91.000 TRP6 66 1.020 -46.556 32.985 6.595 -99.200 -91.000 TYR 67 0.840 -42.236 25.095 3.712 -99.200 -91.000 PHE 76 1.000 -37.151 27.446 5.476 -99.200 -91.000 HIS 82 0.900 -34.464 33.191 -17.072 -99.200 -91.000 TRP 86 1.040 -27.912 34.713 -23.440 -99.200 -91.000 TRP6 86 1.020 -26.116 35.764 -22.329 -99.200 -91.000 PHE 96 1.000 -31.101 34.466 4.739 -99.200 -91.000 HIS 102 0.900 -33.309 37.868 15.250 -99.200 -91.000 PHE 106 1.000 -31.645 39.705 5.853 -99.200 -91.000 TYR 111 0.840 -30.385 39.442 13.361 -99.200 -91.000 PHE 117 1.000 -25.997 33.608 7.183 -99.200 -91.000 TYR 143 0.840 -26.860 47.070 -3.281 -99.200 -91.000 PHE 157 1.000 -53.387 29.009 2.361 -99.200 -91.000 TYR 158 0.840 -48.675 25.732 -2.417 -99.200 -91.000 PHE 163 1.000 -52.606 12.164 -1.370 -99.200 -91.000 PHE 187 1.000 -47.456 48.676 -5.102 -99.200 -91.000 HIS 194 0.900 -51.400 48.883 9.429 -99.200 -91.000 TRP 197 1.040 -42.233 39.194 8.254 -99.200 -91.000 TRP6 197 1.020 -42.754 37.156 7.195 -99.200 -91.000 TRP 206 1.040 -58.563 29.144 0.820 -99.200 -91.000 TRP6 206 1.020 -60.452 27.732 0.678 -99.200 -91.000 PHE 208 1.000 -56.249 33.479 3.513 -99.200 -91.000 PHE 219 1.000 -54.396 29.420 -10.647 -99.200 -91.000 TYR 221 0.840 -57.875 25.658 -13.989 -99.200 -91.000 TRP 239 1.040 -51.958 3.113 -9.250 -99.200 -91.000 TRP6 239 1.020 -51.955 5.327 -8.422 -99.200 -91.000 HIS 247 0.900 -63.863 13.201 -15.874 -99.200 -91.000 PHE 255 1.000 -50.253 30.524 -13.833 -99.200 -91.000 PHE 258 1.000 -43.388 38.725 -8.508 -99.200 -91.000 HIS 260 0.900 -53.303 34.064 -12.264 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3g3tA1 PHE 194 HA -0.01 -0.17 0.24 -0.75 4.62 3.93 3g3tA1 PHE 194 HB2 -0.00 -0.06 -0.47 -0.04 3.15 2.57 3g3tA1 PHE 194 HB3 -0.00 -0.05 -0.18 -0.04 3.06 2.78 3g3tA1 PHE 194 HD2 -0.00 0.01 -0.37 -0.04 7.28 6.88 3g3tA1 PHE 194 HE2 0.00 -0.01 -0.10 -0.04 7.38 7.23 3g3tA1 PHE 194 HZ 0.00 -0.00 -0.07 -0.04 7.32 7.21 3g3tA1 VAL 195 H 0.19 0.58 0.20 -0.55 8.24 8.66 3g3tA1 VAL 195 HA 0.04 0.16 0.92 -0.75 4.13 4.50 3g3tA1 VAL 195 HB 0.05 -0.02 0.05 -0.04 2.12 2.16 3g3tA1 VAL 195 HG13 0.02 0.05 0.03 -0.04 0.97 1.02 3g3tA1 VAL 195 HG23 0.02 0.01 -0.03 -0.04 0.95 0.91 3g3tA1 ARG 196 H 0.08 0.13 0.18 -0.55 8.46 8.30 3g3tA1 ARG 196 HA 0.10 0.40 1.00 -0.75 4.34 5.08 3g3tA1 ARG 196 HB2 0.07 -0.06 0.05 -0.04 1.90 1.92 3g3tA1 ARG 196 HB3 0.07 0.02 0.09 -0.04 1.80 1.94 3g3tA1 ARG 196 HG2 0.29 0.06 -0.07 -0.04 1.67 1.91 3g3tA1 ARG 196 HG3 0.26 -0.03 -0.11 -0.04 1.67 1.75 3g3tA1 ARG 196 HD2 0.18 0.02 -0.04 -0.04 3.22 3.35 3g3tA1 ARG 196 HD3 0.08 -0.03 -0.01 -0.04 3.22 3.22 3g3tA1 GLN 197 H 0.02 0.53 0.33 -0.55 8.47 8.80 3g3tA1 GLN 197 HA 0.00 0.10 0.53 -0.75 4.36 4.23 3g3tA1 GLN 197 HB2 -0.00 0.11 -0.03 -0.04 2.15 2.19 3g3tA1 GLN 197 HB3 -0.01 -0.05 0.05 -0.04 2.02 1.97 3g3tA1 GLN 197 HG2 -0.01 -0.04 -0.30 -0.04 2.40 2.00 3g3tA1 GLN 197 HG3 -0.02 0.02 0.00 -0.04 2.39 2.35 3g3tA1 GLN 197 HE21 -0.00 0.02 -0.07 -0.04 6.97 6.87 3g3tA1 GLN 197 HE22 -0.01 -0.02 -0.12 -0.04 7.69 7.50 3g3tA1 THR 198 H -0.01 0.23 0.16 -0.55 8.28 8.11 3g3tA1 THR 198 HA 0.00 0.00 1.02 -0.75 4.39 4.65 3g3tA1 THR 198 HB 0.00 0.00 0.04 -0.04 4.32 4.32 3g3tA1 THR 198 HG23 -0.01 -0.01 0.06 -0.04 1.22 1.21 3g3tA1 THR 199 H -0.00 0.63 0.31 -0.55 8.28 8.67 3g3tA1 THR 199 HA -0.16 0.18 1.01 -0.75 4.39 4.67 3g3tA1 THR 199 HB -0.04 -0.02 0.01 -0.04 4.32 4.23 3g3tA1 THR 199 HG23 -0.57 0.05 -0.00 -0.04 1.22 0.66 3g3tA1 LYS 200 H -0.30 0.22 0.25 -0.55 8.42 8.03 3g3tA1 LYS 200 HA -0.04 0.34 1.14 -0.75 4.32 5.01 3g3tA1 LYS 200 HB2 -0.16 0.07 0.09 -0.04 1.87 1.82 3g3tA1 LYS 200 HB3 -0.04 0.02 0.01 -0.04 1.79 1.74 3g3tA1 LYS 200 HG2 -0.01 0.02 -0.12 -0.04 1.46 1.31 3g3tA1 LYS 200 HG3 -0.06 -0.05 -0.15 -0.04 1.46 1.17 3g3tA1 LYS 200 HD2 -0.01 -0.01 -0.09 -0.04 1.69 1.54 3g3tA1 LYS 200 HD3 0.03 0.02 -0.09 -0.04 1.68 1.59 3g3tA1 LYS 200 HE2 0.01 -0.02 -0.09 -0.04 2.99 2.84 3g3tA1 LYS 200 HE3 0.01 0.00 -0.11 -0.04 2.99 2.85 3g3tA1 TYR 201 H 0.16 0.60 0.41 -0.55 8.29 8.90 3g3tA1 TYR 201 HA -0.12 0.25 0.94 -0.75 4.56 4.87 3g3tA1 TYR 201 HB2 -0.00 -0.10 -0.00 -0.04 3.06 2.92 3g3tA1 TYR 201 HB3 -0.04 -0.01 -0.08 -0.04 2.98 2.81 3g3tA1 TYR 201 HD2 -0.05 0.05 -0.31 -0.04 7.15 6.80 3g3tA1 TYR 201 HE2 -0.06 0.03 -0.12 -0.04 6.85 6.66 3g3tA1 TRP 202 H 0.03 0.68 0.32 -0.55 7.97 8.46 3g3tA1 TRP 202 HA -0.06 0.00 1.15 -0.75 4.62 4.95 3g3tA1 TRP 202 HB2 -0.42 0.00 0.10 -0.04 3.23 2.86 3g3tA1 TRP 202 HB3 -0.61 0.00 0.02 -0.04 3.23 2.60 3g3tA1 TRP 202 HD1 -0.07 0.08 -0.19 -0.04 7.22 7.00 3g3tA1 TRP 202 HE1 -0.11 -0.05 -0.14 -0.04 10.20 9.87 3g3tA1 TRP 202 HE3 -1.05 0.02 -0.06 -0.04 7.59 6.46 3g3tA1 TRP 202 HZ2 -0.68 -0.05 -0.11 -0.04 7.44 6.56 3g3tA1 TRP 202 HZ3 -0.23 0.00 -0.05 -0.04 7.13 6.81 3g3tA1 TRP 202 HH2 -0.70 -0.03 -0.07 -0.04 7.19 6.35 3g3tA1 VAL 203 H 0.15 0.55 0.34 -0.55 8.24 8.73 3g3tA1 VAL 203 HA 0.01 0.32 0.96 -0.75 4.13 4.67 3g3tA1 VAL 203 HB 0.07 -0.15 -0.03 -0.04 2.12 1.97 3g3tA1 VAL 203 HG13 0.04 0.11 -0.13 -0.04 0.97 0.94 3g3tA1 VAL 203 HG23 0.07 0.03 -0.31 -0.04 0.95 0.70 3g3tA1 HIS 204 H -0.01 0.25 0.14 -0.55 8.41 8.24 3g3tA1 HIS 204 HA 0.12 0.25 0.64 -0.75 4.63 4.89 3g3tA1 HIS 204 HB2 0.06 -0.02 0.11 -0.04 3.26 3.37 3g3tA1 HIS 204 HB3 0.04 -0.08 0.03 -0.04 3.20 3.15 3g3tA1 HIS 204 HD2 0.10 0.10 0.08 -0.04 6.97 7.20 3g3tA1 HIS 204 HE1 0.10 0.04 -0.00 -0.04 7.75 7.85 3g3tA1 PRO 205 HA 0.05 0.03 0.36 -0.51 4.44 4.38 3g3tA1 PRO 205 HB2 0.04 0.01 0.07 -0.04 2.28 2.36 3g3tA1 PRO 205 HB3 0.05 0.01 0.07 -0.04 2.02 2.10 3g3tA1 PRO 205 HG2 -0.04 0.09 0.02 -0.04 2.03 2.06 3g3tA1 PRO 205 HG3 -0.01 0.02 -0.13 -0.04 2.03 1.87 3g3tA1 PRO 205 HD2 0.03 0.07 0.24 -0.04 3.68 3.99 3g3tA1 PRO 205 HD3 0.01 0.40 0.30 -0.04 3.65 4.31 3g3tA1 ASP 206 H 0.06 0.18 -0.21 -0.55 8.40 7.88 3g3tA1 ASP 206 HA 0.04 0.10 0.50 -0.75 4.63 4.52 3g3tA1 ASP 206 HB2 0.02 0.04 0.06 -0.04 2.71 2.79 3g3tA1 ASP 206 HB3 0.03 0.02 0.17 -0.04 2.70 2.88 3g3tA1 ASN 207 H 0.08 0.54 -0.57 -0.55 8.53 8.03 3g3tA1 ASN 207 HA 0.04 0.14 0.84 -0.75 4.76 5.03 3g3tA1 ASN 207 HB2 0.07 0.16 0.07 -0.04 2.88 3.15 3g3tA1 ASN 207 HB3 0.00 -0.05 0.15 -0.04 2.79 2.85 3g3tA1 ASN 207 HD21 0.20 0.03 -0.03 -0.04 7.03 7.19 3g3tA1 ASN 207 HD22 0.14 0.05 0.06 -0.04 7.74 7.95 3g3tA1 ILE 208 H 0.04 0.52 -0.02 -0.55 8.25 8.25 3g3tA1 ILE 208 HA 0.02 0.07 0.34 -0.75 4.18 3.86 3g3tA1 ILE 208 HB 0.03 0.06 0.19 -0.04 1.89 2.12 3g3tA1 ILE 208 HG12 0.03 -0.04 0.00 -0.04 1.49 1.44 3g3tA1 ILE 208 HG13 0.04 0.10 0.11 -0.04 1.21 1.41 3g3tA1 ILE 208 HG23 0.02 -0.01 -0.15 -0.04 0.93 0.75 3g3tA1 ILE 208 HD13 0.00 -0.01 0.08 -0.04 0.88 0.91 3g3tA1 THR 209 H 0.03 0.17 -0.15 -0.55 8.28 7.78 3g3tA1 THR 209 HA 0.02 0.08 0.30 -0.75 4.39 4.04 3g3tA1 THR 209 HB 0.02 0.01 0.04 -0.04 4.32 4.36 3g3tA1 THR 209 HG23 0.02 0.02 -0.12 -0.04 1.22 1.10 3g3tA1 GLU 210 H 0.02 0.11 -0.29 -0.55 8.60 7.89 3g3tA1 GLU 210 HA 0.01 0.06 0.38 -0.75 4.29 3.99 3g3tA1 GLU 210 HB2 0.02 -0.00 0.07 -0.04 2.09 2.15 3g3tA1 GLU 210 HB3 0.01 0.10 0.07 -0.04 1.99 2.13 3g3tA1 GLU 210 HG2 0.01 0.01 -0.20 -0.04 2.34 2.11 3g3tA1 GLU 210 HG3 0.02 -0.01 0.02 -0.04 2.34 2.34 3g3tA1 LEU 211 H -0.00 0.54 -0.20 -0.55 8.37 8.16 3g3tA1 LEU 211 HA -0.03 0.03 0.49 -0.75 4.35 4.08 3g3tA1 LEU 211 HB2 -0.03 0.04 0.05 -0.04 1.64 1.66 3g3tA1 LEU 211 HB3 -0.01 0.10 0.12 -0.04 1.64 1.81 3g3tA1 LEU 211 HG -0.05 -0.02 -0.30 -0.04 1.64 1.22 3g3tA1 LEU 211 HD13 -0.05 -0.01 -0.07 -0.04 0.93 0.75 3g3tA1 LEU 211 HD23 -0.01 0.00 -0.13 -0.04 0.89 0.71 3g3tA1 LYS 212 H -0.01 0.63 -0.07 -0.55 8.42 8.42 3g3tA1 LYS 212 HA -0.15 0.01 0.37 -0.75 4.32 3.80 3g3tA1 LYS 212 HB2 0.02 0.08 0.13 -0.04 1.87 2.06 3g3tA1 LYS 212 HB3 0.06 -0.03 -0.02 -0.04 1.79 1.76 3g3tA1 LYS 212 HG2 0.13 -0.03 -0.02 -0.04 1.46 1.49 3g3tA1 LYS 212 HG3 0.05 0.11 0.00 -0.04 1.46 1.58 3g3tA1 LYS 212 HD2 0.18 -0.00 -0.04 -0.04 1.69 1.79 3g3tA1 LYS 212 HD3 0.11 -0.04 -0.07 -0.04 1.68 1.64 3g3tA1 LYS 212 HE2 0.04 -0.03 -0.15 -0.04 2.99 2.82 3g3tA1 LYS 212 HE3 0.06 0.04 -0.04 -0.04 2.99 3.00 3g3tA1 LEU 213 H -0.02 0.50 -0.25 -0.55 8.37 8.06 3g3tA1 LEU 213 HA -0.03 0.01 0.34 -0.75 4.35 3.92 3g3tA1 LEU 213 HB2 -0.01 0.12 0.16 -0.04 1.64 1.88 3g3tA1 LEU 213 HB3 -0.02 -0.01 -0.08 -0.04 1.64 1.49 3g3tA1 LEU 213 HG -0.01 -0.02 -0.01 -0.04 1.64 1.56 3g3tA1 LEU 213 HD13 -0.00 -0.01 -0.03 -0.04 0.93 0.85 3g3tA1 LEU 213 HD23 0.00 0.01 -0.09 -0.04 0.89 0.78 3g3tA1 ILE 214 H -0.03 0.41 -0.24 -0.55 8.25 7.84 3g3tA1 ILE 214 HA -0.02 0.03 0.46 -0.75 4.18 3.90 3g3tA1 ILE 214 HB 0.00 0.13 0.16 -0.04 1.89 2.13 3g3tA1 ILE 214 HG12 0.04 -0.05 0.02 -0.04 1.49 1.46 3g3tA1 ILE 214 HG13 0.01 0.07 0.06 -0.04 1.21 1.30 3g3tA1 ILE 214 HG23 0.12 -0.02 -0.18 -0.04 0.93 0.81 3g3tA1 ILE 214 HD13 0.02 -0.02 -0.04 -0.04 0.88 0.79 3g3tA1 ILE 215 H -0.11 0.53 -0.13 -0.55 8.25 7.98 3g3tA1 ILE 215 HA -0.09 -0.01 0.35 -0.75 4.18 3.66 3g3tA1 ILE 215 HB -0.54 0.10 0.11 -0.04 1.89 1.53 3g3tA1 ILE 215 HG12 -0.01 -0.06 -0.06 -0.04 1.49 1.31 3g3tA1 ILE 215 HG13 -0.10 0.16 0.02 -0.04 1.21 1.24 3g3tA1 ILE 215 HG23 -0.66 0.00 -0.16 -0.04 0.93 0.07 3g3tA1 ILE 215 HD13 -0.29 -0.03 -0.16 -0.04 0.88 0.36 3g3tA1 LEU 216 H -0.16 0.54 -0.23 -0.55 8.37 7.97 3g3tA1 LEU 216 HA -0.06 0.28 0.30 -0.75 4.35 4.11 3g3tA1 LEU 216 HB2 -0.05 0.09 0.10 -0.04 1.64 1.74 3g3tA1 LEU 216 HB3 -0.03 -0.06 -0.00 -0.04 1.64 1.51 3g3tA1 LEU 216 HG 0.04 0.04 0.03 -0.04 1.64 1.71 3g3tA1 LEU 216 HD13 0.08 -0.03 -0.08 -0.04 0.93 0.85 3g3tA1 LEU 216 HD23 0.21 0.04 0.06 -0.04 0.89 1.16 3g3tA1 LYS 217 H -0.19 0.34 -0.43 -0.55 8.42 7.59 3g3tA1 LYS 217 HA -0.27 0.00 0.48 -0.75 4.32 3.78 3g3tA1 LYS 217 HB2 -0.46 0.21 0.07 -0.04 1.87 1.65 3g3tA1 LYS 217 HB3 -0.66 -0.09 0.04 -0.04 1.79 1.03 3g3tA1 LYS 217 HG2 -0.18 -0.07 0.04 -0.04 1.46 1.22 3g3tA1 LYS 217 HG3 -0.14 0.26 0.10 -0.04 1.46 1.64 3g3tA1 LYS 217 HD2 -0.07 0.01 0.04 -0.04 1.69 1.63 3g3tA1 LYS 217 HD3 -0.13 -0.06 0.01 -0.04 1.68 1.45 3g3tA1 LYS 217 HE2 -0.05 -0.04 -0.03 -0.04 2.99 2.83 3g3tA1 LYS 217 HE3 -0.05 0.04 -0.12 -0.04 2.99 2.82 3g3tA1 HIS 218 H -0.37 0.47 -0.40 -0.55 8.41 7.58 3g3tA1 HIS 218 HA -0.43 0.15 0.89 -0.75 4.63 4.49 3g3tA1 HIS 218 HB2 -1.72 0.08 0.04 -0.04 3.26 1.62 3g3tA1 HIS 218 HB3 -1.40 -0.11 -0.02 -0.04 3.20 1.63 3g3tA1 HIS 218 HD2 -0.78 -0.03 -0.04 -0.04 6.97 6.08 3g3tA1 HIS 218 HE1 -0.14 -0.02 -0.04 -0.04 7.75 7.50 3g3tA1 LEU 219 H -0.17 0.66 0.19 -0.55 8.37 8.50 3g3tA1 LEU 219 HA 0.02 0.19 0.84 -0.75 4.35 4.66 3g3tA1 LEU 219 HB2 0.11 -0.04 -0.10 -0.04 1.64 1.57 3g3tA1 LEU 219 HB3 0.17 -0.04 -0.28 -0.04 1.64 1.45 3g3tA1 LEU 219 HG 0.14 -0.07 -0.32 -0.04 1.64 1.35 3g3tA1 LEU 219 HD13 0.32 -0.00 -0.20 -0.04 0.93 1.00 3g3tA1 LEU 219 HD23 0.19 0.02 -0.03 -0.04 0.89 1.03 3g3tA1 PRO 220 HA 0.09 0.10 0.64 -0.51 4.44 4.76 3g3tA1 PRO 220 HB2 0.02 0.11 0.03 -0.04 2.28 2.40 3g3tA1 PRO 220 HB3 0.01 0.01 0.09 -0.04 2.02 2.09 3g3tA1 PRO 220 HG2 0.03 0.20 0.13 -0.04 2.03 2.35 3g3tA1 PRO 220 HG3 0.01 -0.01 0.11 -0.04 2.03 2.10 3g3tA1 PRO 220 HD2 0.06 0.04 -0.15 -0.04 3.68 3.59 3g3tA1 PRO 220 HD3 0.01 0.18 0.08 -0.04 3.65 3.88 3g3tA1 VAL 221 H 0.08 0.07 0.18 -0.55 8.24 8.02 3g3tA1 VAL 221 HA -0.29 0.15 0.64 -0.75 4.13 3.88 3g3tA1 VAL 221 HB -0.11 -0.04 0.13 -0.04 2.12 2.05 3g3tA1 VAL 221 HG13 -0.02 -0.02 0.09 -0.04 0.97 0.98 3g3tA1 VAL 221 HG23 -0.26 0.05 0.01 -0.04 0.95 0.71 3g3tA1 LEU 222 H -0.20 0.77 0.32 -0.55 8.37 8.71 3g3tA1 LEU 222 HA -0.04 0.18 0.39 -0.75 4.35 4.13 3g3tA1 LEU 222 HB2 -0.04 0.02 -0.12 -0.04 1.64 1.46 3g3tA1 LEU 222 HB3 -0.09 -0.06 0.04 -0.04 1.64 1.50 3g3tA1 LEU 222 HG -0.03 -0.01 0.02 -0.04 1.64 1.57 3g3tA1 LEU 222 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.83 3g3tA1 LEU 222 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.75 3g3tA1 GLU 231 HA 0.02 0.05 0.21 -0.75 4.29 3.82 3g3tA1 ARG 232 H 0.03 0.16 0.14 -0.55 8.46 8.24 3g3tA1 ARG 232 HA 0.02 0.14 0.49 -0.75 4.34 4.24 3g3tA1 GLU 233 H 0.06 0.05 -0.35 -0.55 8.60 7.81 3g3tA1 GLU 233 HA 0.11 0.14 0.36 -0.75 4.29 4.14 3g3tA1 GLU 233 HB2 0.08 0.05 0.03 -0.04 2.09 2.21 3g3tA1 GLU 233 HB3 0.13 -0.07 0.03 -0.04 1.99 2.04 3g3tA1 GLU 233 HG2 0.11 0.04 -0.02 -0.04 2.34 2.44 3g3tA1 GLU 233 HG3 0.08 -0.02 0.00 -0.04 2.34 2.35 3g3tA1 ASP 234 H 0.05 0.48 -0.37 -0.55 8.40 8.01 3g3tA1 ASP 234 HA 0.07 -0.06 0.36 -0.75 4.63 4.24 3g3tA1 ASP 234 HB2 0.02 0.16 -0.00 -0.04 2.71 2.85 3g3tA1 ASP 234 HB3 0.03 -0.00 -0.07 -0.04 2.70 2.61 3g3tA1 SER 235 H 0.01 0.26 -0.33 -0.55 8.46 7.86 3g3tA1 SER 235 HA -0.03 0.16 0.55 -0.75 4.49 4.42 3g3tA1 SER 235 HB2 -0.06 0.05 0.18 -0.04 3.95 4.08 3g3tA1 SER 235 HB3 -0.03 -0.00 0.12 -0.04 3.93 3.97 3g3tA1 ALA 236 H 0.01 0.36 -0.30 -0.55 8.40 7.93 3g3tA1 ALA 236 HA -0.30 0.12 0.57 -0.75 4.34 3.97 3g3tA1 ALA 236 HB3 0.16 -0.01 0.08 -0.04 1.41 1.60 3g3tA1 ILE 237 H -0.74 0.62 0.46 -0.55 8.25 8.04 3g3tA1 ILE 237 HA -0.58 0.21 0.87 -0.75 4.18 3.93 3g3tA1 ILE 237 HB -1.34 -0.06 0.13 -0.04 1.89 0.58 3g3tA1 ILE 237 HG12 -0.19 0.06 0.03 -0.04 1.49 1.36 3g3tA1 ILE 237 HG13 -0.37 0.08 -0.38 -0.04 1.21 0.50 3g3tA1 ILE 237 HG23 -0.58 -0.02 -0.14 -0.04 0.93 0.16 3g3tA1 ILE 237 HD13 -0.09 -0.03 -0.07 -0.04 0.88 0.65 3g3tA1 THR 238 H -0.83 0.61 0.34 -0.55 8.28 7.85 3g3tA1 THR 238 HA -0.30 0.34 1.24 -0.75 4.39 4.92 3g3tA1 THR 238 HB -2.42 -0.04 0.11 -0.04 4.32 1.93 3g3tA1 THR 238 HG23 -0.29 0.01 -0.07 -0.04 1.22 0.83 3g3tA1 SER 239 H -0.10 0.62 0.42 -0.55 8.46 8.86 3g3tA1 SER 239 HA -0.06 0.31 1.01 -0.75 4.49 4.99 3g3tA1 SER 239 HB2 -0.03 -0.10 0.06 -0.04 3.95 3.84 3g3tA1 SER 239 HB3 -0.28 -0.02 -0.12 -0.04 3.93 3.46 3g3tA1 ILE 240 H 0.18 0.73 0.35 -0.55 8.25 8.95 3g3tA1 ILE 240 HA 0.14 0.16 1.07 -0.75 4.18 4.79 3g3tA1 ILE 240 HB 0.54 -0.08 0.29 -0.04 1.89 2.60 3g3tA1 ILE 240 HG12 0.54 0.06 -0.00 -0.04 1.49 2.04 3g3tA1 ILE 240 HG13 0.31 0.06 0.02 -0.04 1.21 1.57 3g3tA1 ILE 240 HG23 0.02 0.08 -0.02 -0.04 0.93 0.96 3g3tA1 ILE 240 HD13 0.14 0.00 -0.09 -0.04 0.88 0.89 3g3tA1 TYR 241 H 0.30 0.82 0.44 -0.55 8.29 9.30 3g3tA1 TYR 241 HA 0.11 0.24 1.01 -0.75 4.56 5.17 3g3tA1 TYR 241 HB2 0.13 0.01 0.25 -0.04 3.06 3.41 3g3tA1 TYR 241 HB3 -0.32 0.01 0.05 -0.04 2.98 2.67 3g3tA1 TYR 241 HD2 -0.21 0.12 -0.03 -0.04 7.15 6.98 3g3tA1 TYR 241 HE2 0.03 0.01 -0.10 -0.04 6.85 6.74 3g3tA1 PHE 242 H 0.34 0.59 0.41 -0.55 8.34 9.13 3g3tA1 PHE 242 HA 0.12 0.24 0.92 -0.75 4.62 5.15 3g3tA1 PHE 242 HB2 0.09 -0.01 0.08 -0.04 3.15 3.27 3g3tA1 PHE 242 HB3 0.07 -0.02 -0.08 -0.04 3.06 2.99 3g3tA1 PHE 242 HD2 0.08 0.03 -0.31 -0.04 7.28 7.04 3g3tA1 PHE 242 HE2 0.18 0.04 -0.09 -0.04 7.38 7.47 3g3tA1 PHE 242 HZ 0.28 -0.00 -0.02 -0.04 7.32 7.54 3g3tA1 ASP 243 H 0.17 0.67 0.37 -0.55 8.40 9.06 3g3tA1 ASP 243 HA 0.25 0.03 0.39 -0.75 4.63 4.55 3g3tA1 ASP 243 HB2 0.44 0.07 -0.19 -0.04 2.71 2.99 3g3tA1 ASP 243 HB3 0.31 0.14 0.02 -0.04 2.70 3.13 3g3tA1 ASN 244 H 0.19 -0.14 0.20 -0.55 8.53 8.23 3g3tA1 ASN 244 HA 0.20 0.43 1.13 -0.75 4.76 5.76 3g3tA1 ASN 244 HB2 0.08 0.01 0.26 -0.04 2.88 3.19 3g3tA1 ASN 244 HB3 0.11 0.28 -0.15 -0.04 2.79 2.98 3g3tA1 ASN 244 HD21 0.08 -0.09 0.06 -0.04 7.03 7.04 3g3tA1 ASN 244 HD22 0.07 0.61 0.15 -0.04 7.74 8.52 3g3tA1 GLU 245 H 0.05 0.32 0.21 -0.55 8.60 8.63 3g3tA1 GLU 245 HA -0.63 0.09 0.43 -0.75 4.29 3.42 3g3tA1 GLU 245 HB2 -0.04 0.01 0.16 -0.04 2.09 2.18 3g3tA1 GLU 245 HB3 -0.16 0.07 0.03 -0.04 1.99 1.89 3g3tA1 GLU 245 HG2 0.10 -0.03 0.08 -0.04 2.34 2.45 3g3tA1 GLU 245 HG3 0.02 0.06 0.07 -0.04 2.34 2.44 3g3tA1 ASN 246 H 0.00 0.05 -0.17 -0.55 8.53 7.86 3g3tA1 ASN 246 HA -0.01 0.29 0.73 -0.75 4.76 5.01 3g3tA1 ASN 246 HB2 0.05 -0.09 0.06 -0.04 2.88 2.86 3g3tA1 ASN 246 HB3 0.07 0.04 0.10 -0.04 2.79 2.95 3g3tA1 ASN 246 HD21 0.01 0.05 0.01 -0.04 7.03 7.05 3g3tA1 ASN 246 HD22 0.02 -0.02 0.02 -0.04 7.74 7.72 3g3tA1 LEU 247 H 0.02 0.45 -0.48 -0.55 8.37 7.82 3g3tA1 LEU 247 HA 0.13 -0.04 0.33 -0.75 4.35 4.02 3g3tA1 LEU 247 HB2 0.02 0.26 -0.04 -0.04 1.64 1.84 3g3tA1 LEU 247 HB3 -0.14 -0.17 0.20 -0.04 1.64 1.49 3g3tA1 LEU 247 HG -0.13 0.16 -0.18 -0.04 1.64 1.45 3g3tA1 LEU 247 HD13 -0.30 0.02 -0.11 -0.04 0.93 0.49 3g3tA1 LEU 247 HD23 0.09 -0.02 0.02 -0.04 0.89 0.94 3g3tA1 ASP 248 H 0.16 0.06 -0.19 -0.55 8.40 7.88 3g3tA1 ASP 248 HA 0.26 0.20 0.25 -0.75 4.63 4.58 3g3tA1 ASP 248 HB2 0.14 -0.06 0.09 -0.04 2.71 2.84 3g3tA1 ASP 248 HB3 0.14 0.07 -0.04 -0.04 2.70 2.82 3g3tA1 LEU 249 H 0.25 0.00 -0.09 -0.55 8.37 7.98 3g3tA1 LEU 249 HA 0.23 0.00 0.49 -0.75 4.35 4.31 3g3tA1 LEU 249 HB2 0.33 0.00 0.21 -0.04 1.64 2.13 3g3tA1 LEU 249 HB3 0.39 0.00 0.05 -0.04 1.64 2.03 3g3tA1 LEU 249 HG 0.25 0.39 0.12 -0.04 1.64 2.36 3g3tA1 LEU 249 HD13 0.18 -0.04 -0.03 -0.04 0.93 1.00 3g3tA1 LEU 249 HD23 0.24 0.00 0.00 -0.04 0.89 1.09 3g3tA1 TYR 250 H 0.36 0.08 -0.19 -0.55 8.29 7.99 3g3tA1 TYR 250 HA -0.23 0.02 0.41 -0.75 4.56 4.00 3g3tA1 TYR 250 HB2 -0.39 -0.03 0.07 -0.04 3.06 2.66 3g3tA1 TYR 250 HB3 -0.27 0.20 0.17 -0.04 2.98 3.04 3g3tA1 TYR 250 HD2 -1.07 0.00 -0.05 -0.04 7.15 5.99 3g3tA1 TYR 250 HE2 -0.44 0.08 0.06 -0.04 6.85 6.51 3g3tA1 TYR 251 H 0.17 0.53 -0.11 -0.55 8.29 8.33 3g3tA1 TYR 251 HA -0.20 0.04 0.32 -0.75 4.56 3.96 3g3tA1 TYR 251 HB2 0.08 0.08 0.12 -0.04 3.06 3.30 3g3tA1 TYR 251 HB3 0.03 -0.01 0.00 -0.04 2.98 2.95 3g3tA1 TYR 251 HD2 0.07 0.02 -0.04 -0.04 7.15 7.17 3g3tA1 TYR 251 HE2 0.10 0.06 0.03 -0.04 6.85 6.99 3g3tA1 GLY 252 H 0.16 0.43 -0.20 -0.55 8.43 8.28 3g3tA1 GLY 252 HA2 0.08 0.02 0.38 -0.51 4.01 3.98 3g3tA1 GLY 252 HA3 0.11 0.06 0.31 -0.51 4.01 3.99 3g3tA1 ARG 253 H 0.04 0.50 -0.23 -0.55 8.46 8.22 3g3tA1 ARG 253 HA -0.01 0.06 0.44 -0.75 4.34 4.08 3g3tA1 ARG 253 HB2 0.03 0.05 0.11 -0.04 1.90 2.05 3g3tA1 ARG 253 HB3 0.04 -0.09 -0.04 -0.04 1.80 1.68 3g3tA1 ARG 253 HG2 0.20 0.22 -0.04 -0.04 1.67 2.01 3g3tA1 ARG 253 HG3 0.33 -0.14 -0.10 -0.04 1.67 1.73 3g3tA1 ARG 253 HD2 0.08 0.01 -0.27 -0.04 3.22 2.99 3g3tA1 ARG 253 HD3 0.11 0.01 -0.73 -0.04 3.22 2.57 3g3tA1 LEU 254 H -0.26 0.65 -0.02 -0.55 8.37 8.20 3g3tA1 LEU 254 HA -0.22 -0.01 0.40 -0.75 4.35 3.77 3g3tA1 LEU 254 HB2 -0.72 0.01 0.08 -0.04 1.64 0.97 3g3tA1 LEU 254 HB3 -0.24 0.07 0.11 -0.04 1.64 1.54 3g3tA1 LEU 254 HG -0.10 0.01 -0.25 -0.04 1.64 1.26 3g3tA1 LEU 254 HD13 -0.20 -0.02 -0.05 -0.04 0.93 0.62 3g3tA1 LEU 254 HD23 -0.10 -0.00 -0.18 -0.04 0.89 0.57 3g3tA1 ARG 255 H -0.05 0.50 -0.22 -0.55 8.46 8.13 3g3tA1 ARG 255 HA -0.03 0.18 0.73 -0.75 4.34 4.46 3g3tA1 ARG 255 HB2 0.02 0.00 0.05 -0.04 1.90 1.93 3g3tA1 ARG 255 HB3 0.01 -0.03 0.10 -0.04 1.80 1.84 3g3tA1 ARG 255 HG2 0.01 0.00 -0.05 -0.04 1.67 1.59 3g3tA1 ARG 255 HG3 0.01 -0.07 -0.17 -0.04 1.67 1.39 3g3tA1 ARG 255 HD2 0.06 0.04 -0.02 -0.04 3.22 3.25 3g3tA1 ARG 255 HD3 0.02 -0.02 -0.02 -0.04 3.22 3.15 3g3tA1 LYS 256 H -0.11 0.25 -0.66 -0.55 8.42 7.36 3g3tA1 LYS 256 HA -0.33 0.04 0.29 -0.75 4.32 3.57 3g3tA1 LYS 256 HB2 -0.12 0.12 -0.22 -0.04 1.87 1.61 3g3tA1 LYS 256 HB3 -0.50 -0.10 0.11 -0.04 1.79 1.26 3g3tA1 LYS 256 HG2 -0.36 -0.00 0.00 -0.04 1.46 1.06 3g3tA1 LYS 256 HG3 -0.16 0.12 -0.21 -0.04 1.46 1.17 3g3tA1 LYS 256 HD2 -0.07 0.00 -0.06 -0.04 1.69 1.52 3g3tA1 LYS 256 HD3 -0.14 -0.07 -0.02 -0.04 1.68 1.41 3g3tA1 LYS 256 HE2 -0.08 0.06 -0.02 -0.04 2.99 2.91 3g3tA1 LYS 256 HE3 -0.04 -0.03 -0.01 -0.04 2.99 2.87 3g3tA1 ASP 257 H 0.01 0.34 -0.12 -0.55 8.40 8.08 3g3tA1 ASP 257 HA 0.11 0.04 0.40 -0.75 4.63 4.42 3g3tA1 ASP 257 HB2 0.09 -0.08 0.03 -0.04 2.71 2.71 3g3tA1 ASP 257 HB3 0.10 0.08 -0.02 -0.04 2.70 2.82 3g3tA1 GLU 258 H 0.19 0.10 0.17 -0.55 8.60 8.50 3g3tA1 GLU 258 HA 0.08 -0.03 0.47 -0.75 4.29 4.05 3g3tA1 GLU 258 HB2 0.13 -0.04 0.16 -0.04 2.09 2.30 3g3tA1 GLU 258 HB3 0.23 0.01 0.18 -0.04 1.99 2.37 3g3tA1 GLU 258 HG2 0.10 0.01 -0.00 -0.04 2.34 2.41 3g3tA1 GLU 258 HG3 0.05 0.04 -0.28 -0.04 2.34 2.12 3g3tA1 GLY 259 H -0.00 0.53 0.31 -0.55 8.43 8.73 3g3tA1 GLY 259 HA2 0.01 0.00 0.31 -0.51 4.01 3.82 3g3tA1 GLY 259 HA3 0.05 0.06 0.49 -0.51 4.01 4.10 3g3tA1 ALA 260 H 0.14 0.54 -0.28 -0.55 8.40 8.26 3g3tA1 ALA 260 HA 0.11 -0.03 0.23 -0.75 4.34 3.89 3g3tA1 ALA 260 HB3 0.09 -0.04 -0.12 -0.04 1.41 1.29 3g3tA1 GLU 261 H 0.13 0.07 0.23 -0.55 8.60 8.48 3g3tA1 GLU 261 HA 0.03 0.40 1.04 -0.75 4.29 5.01 3g3tA1 GLU 261 HB2 0.22 -0.10 0.09 -0.04 2.09 2.26 3g3tA1 GLU 261 HB3 -0.07 0.00 -0.03 -0.04 1.99 1.85 3g3tA1 GLU 261 HG2 0.03 0.02 -0.05 -0.04 2.34 2.30 3g3tA1 GLU 261 HG3 0.10 0.21 0.03 -0.04 2.34 2.64 3g3tA1 ALA 262 H -0.05 0.59 0.39 -0.55 8.40 8.79 3g3tA1 ALA 262 HA 0.05 0.12 0.79 -0.75 4.34 4.54 3g3tA1 ALA 262 HB3 0.05 -0.01 0.04 -0.04 1.41 1.44 3g3tA1 HIS 263 H 0.08 0.21 0.19 -0.55 8.41 8.35 3g3tA1 HIS 263 HA -0.01 0.36 1.13 -0.75 4.63 5.36 3g3tA1 HIS 263 HB2 0.06 -0.05 0.15 -0.04 3.26 3.38 3g3tA1 HIS 263 HB3 -0.05 0.05 0.01 -0.04 3.20 3.16 3g3tA1 HIS 263 HD2 0.07 -0.05 -0.24 -0.04 6.97 6.70 3g3tA1 HIS 263 HE1 0.08 0.02 -0.09 -0.04 7.75 7.71 3g3tA1 ARG 264 H -0.05 0.66 0.36 -0.55 8.46 8.87 3g3tA1 ARG 264 HA 0.03 0.33 0.96 -0.75 4.34 4.90 3g3tA1 ARG 264 HB2 -0.59 -0.02 -0.20 -0.04 1.90 1.05 3g3tA1 ARG 264 HB3 -0.85 -0.07 -0.26 -0.04 1.80 0.58 3g3tA1 ARG 264 HG2 -0.16 -0.00 -0.06 -0.04 1.67 1.40 3g3tA1 ARG 264 HG3 -0.17 0.02 -0.33 -0.04 1.67 1.16 3g3tA1 ARG 264 HD2 -0.43 -0.01 -0.18 -0.04 3.22 2.56 3g3tA1 ARG 264 HD3 -0.23 -0.06 -0.17 -0.04 3.22 2.72 3g3tA1 LEU 265 H 0.18 0.56 0.36 -0.55 8.37 8.92 3g3tA1 LEU 265 HA -0.01 0.33 1.11 -0.75 4.35 5.02 3g3tA1 LEU 265 HB2 0.44 0.03 0.22 -0.04 1.64 2.29 3g3tA1 LEU 265 HB3 0.04 0.01 -0.02 -0.04 1.64 1.63 3g3tA1 LEU 265 HG -0.26 0.03 -0.04 -0.04 1.64 1.33 3g3tA1 LEU 265 HD13 -0.19 0.02 -0.27 -0.04 0.93 0.44 3g3tA1 LEU 265 HD23 -0.33 0.01 -0.06 -0.04 0.89 0.46 3g3tA1 ARG 266 H 0.10 0.66 0.39 -0.55 8.46 9.06 3g3tA1 ARG 266 HA 0.05 0.36 1.20 -0.75 4.34 5.20 3g3tA1 ARG 266 HB2 -0.10 -0.08 -0.09 -0.04 1.90 1.59 3g3tA1 ARG 266 HB3 0.03 -0.03 0.09 -0.04 1.80 1.85 3g3tA1 ARG 266 HG2 -0.37 -0.08 -0.33 -0.04 1.67 0.85 3g3tA1 ARG 266 HG3 -0.45 0.17 -0.03 -0.04 1.67 1.31 3g3tA1 ARG 266 HD2 -0.12 -0.04 -0.12 -0.04 3.22 2.90 3g3tA1 ARG 266 HD3 -0.55 0.00 -0.14 -0.04 3.22 2.49 3g3tA1 TRP 267 H -0.22 0.58 0.40 -0.55 7.97 8.18 3g3tA1 TRP 267 HA 0.19 0.11 0.63 -0.75 4.62 4.79 3g3tA1 TRP 267 HB2 0.14 0.06 0.11 -0.04 3.23 3.50 3g3tA1 TRP 267 HB3 0.18 -0.05 -0.06 -0.04 3.23 3.26 3g3tA1 TRP 267 HD1 0.11 0.09 -0.50 -0.04 7.22 6.87 3g3tA1 TRP 267 HE1 0.09 0.02 -0.25 -0.04 10.20 10.01 3g3tA1 TRP 267 HE3 0.40 -0.06 -0.19 -0.04 7.59 7.70 3g3tA1 TRP 267 HZ2 0.04 -0.03 -0.17 -0.04 7.44 7.24 3g3tA1 TRP 267 HZ3 0.01 -0.02 -0.13 -0.04 7.13 6.95 3g3tA1 TRP 267 HH2 -0.10 0.03 -0.10 -0.04 7.19 6.98 3g3tA1 TYR 268 H 0.53 0.17 0.18 -0.55 8.29 8.62 3g3tA1 TYR 268 HA -0.09 0.24 1.03 -0.75 4.56 4.99 3g3tA1 TYR 268 HB2 0.14 -0.08 0.15 -0.04 3.06 3.22 3g3tA1 TYR 268 HB3 0.02 0.12 0.08 -0.04 2.98 3.16 3g3tA1 TYR 268 HD2 0.12 0.04 -0.01 -0.04 7.15 7.26 3g3tA1 TYR 268 HE2 -0.22 -0.01 -0.09 -0.04 6.85 6.48 3g3tA1 GLY 269 H 0.04 0.66 0.25 -0.55 8.43 8.84 3g3tA1 GLY 269 HA2 0.13 0.22 0.41 -0.51 4.01 4.26 3g3tA1 GLY 269 HA3 0.20 -0.01 0.64 -0.51 4.01 4.33 3g3tA1 GLY 270 H 0.18 0.03 0.05 -0.55 8.43 8.15 3g3tA1 GLY 270 HA2 0.28 0.12 0.33 -0.51 4.01 4.24 3g3tA1 GLY 270 HA3 0.17 -0.07 0.35 -0.51 4.01 3.95 3g3tA1 MET 271 H 0.13 0.11 0.13 -0.55 8.47 8.29 3g3tA1 MET 271 HA -0.05 0.25 0.33 -0.75 4.52 4.29 3g3tA1 MET 271 HB2 0.02 -0.02 0.07 -0.04 2.15 2.18 3g3tA1 MET 271 HB3 -0.06 0.10 0.12 -0.04 2.03 2.16 3g3tA1 MET 271 HG2 0.13 -0.18 0.08 -0.04 2.63 2.62 3g3tA1 MET 271 HG3 0.05 0.08 0.05 -0.04 2.56 2.69 3g3tA1 MET 271 HE3 -0.27 0.03 0.02 -0.04 2.10 1.84 3g3tA1 SER 272 H 0.06 -0.04 -0.40 -0.55 8.46 7.54 3g3tA1 SER 272 HA -0.02 0.00 0.65 -0.75 4.49 4.37 3g3tA1 SER 272 HB2 0.04 0.00 -0.02 -0.04 3.95 3.93 3g3tA1 SER 272 HB3 0.01 0.00 0.07 -0.04 3.93 3.97 3g3tA1 THR 273 H 0.05 0.40 -0.37 -0.55 8.28 7.82 3g3tA1 THR 273 HA 0.06 -0.01 0.48 -0.75 4.39 4.17 3g3tA1 THR 273 HB 0.21 0.16 0.00 -0.04 4.32 4.66 3g3tA1 THR 273 HG23 0.24 -0.04 -0.04 -0.04 1.22 1.34 3g3tA1 ASP 274 H 0.01 0.07 0.23 -0.55 8.40 8.16 3g3tA1 ASP 274 HA -0.07 0.30 1.01 -0.75 4.63 5.12 3g3tA1 ASP 274 HB2 -0.07 0.00 0.20 -0.04 2.71 2.79 3g3tA1 ASP 274 HB3 -0.05 0.14 -0.03 -0.04 2.70 2.73 3g3tA1 THR 275 H -0.00 0.08 0.06 -0.55 8.28 7.86 3g3tA1 THR 275 HA -0.17 0.14 0.74 -0.75 4.39 4.35 3g3tA1 THR 275 HB -0.05 0.01 0.15 -0.04 4.32 4.39 3g3tA1 THR 275 HG23 -0.54 0.01 -0.16 -0.04 1.22 0.49 3g3tA1 ILE 276 H -0.27 0.77 0.35 -0.55 8.25 8.56 3g3tA1 ILE 276 HA 0.01 0.27 0.98 -0.75 4.18 4.69 3g3tA1 ILE 276 HB -0.41 -0.02 0.04 -0.04 1.89 1.45 3g3tA1 ILE 276 HG12 -0.18 0.02 -0.18 -0.04 1.49 1.11 3g3tA1 ILE 276 HG13 -0.42 -0.05 -0.09 -0.04 1.21 0.61 3g3tA1 ILE 276 HG23 -0.47 0.01 -0.21 -0.04 0.93 0.21 3g3tA1 ILE 276 HD13 0.14 0.05 -0.30 -0.04 0.88 0.72 3g3tA1 PHE 277 H 0.17 0.82 0.34 -0.55 8.34 9.11 3g3tA1 PHE 277 HA -0.17 0.19 0.94 -0.75 4.62 4.83 3g3tA1 PHE 277 HB2 0.03 0.02 0.17 -0.04 3.15 3.32 3g3tA1 PHE 277 HB3 -0.03 -0.01 -0.08 -0.04 3.06 2.90 3g3tA1 PHE 277 HD2 0.12 0.05 -0.16 -0.04 7.28 7.25 3g3tA1 PHE 277 HE2 0.12 -0.00 -0.09 -0.04 7.38 7.36 3g3tA1 PHE 277 HZ 0.02 0.00 -0.08 -0.04 7.32 7.22 3g3tA1 VAL 278 H -0.47 0.75 0.38 -0.55 8.24 8.34 3g3tA1 VAL 278 HA -0.23 0.11 0.86 -0.75 4.13 4.11 3g3tA1 VAL 278 HB -1.55 -0.03 0.20 -0.04 2.12 0.70 3g3tA1 VAL 278 HG13 -0.09 0.00 -0.12 -0.04 0.97 0.73 3g3tA1 VAL 278 HG23 -0.65 0.02 -0.07 -0.04 0.95 0.21 3g3tA1 GLU 279 H -0.07 0.61 0.40 -0.55 8.60 9.00 3g3tA1 GLU 279 HA -0.00 0.27 1.16 -0.75 4.29 4.96 3g3tA1 GLU 279 HB2 -0.05 -0.04 0.06 -0.04 2.09 2.01 3g3tA1 GLU 279 HB3 -0.02 -0.00 -0.00 -0.04 1.99 1.93 3g3tA1 GLU 279 HG2 0.03 -0.05 -0.43 -0.04 2.34 1.85 3g3tA1 GLU 279 HG3 0.01 0.17 -0.16 -0.04 2.34 2.32 3g3tA1 ARG 280 H -0.01 0.67 0.39 -0.55 8.46 8.97 3g3tA1 ARG 280 HA -0.22 0.32 1.09 -0.75 4.34 4.78 3g3tA1 ARG 280 HB2 -0.07 -0.01 -0.12 -0.04 1.90 1.66 3g3tA1 ARG 280 HB3 -0.02 -0.05 0.05 -0.04 1.80 1.74 3g3tA1 ARG 280 HG2 -0.16 0.05 -0.31 -0.04 1.67 1.21 3g3tA1 ARG 280 HG3 -0.74 0.01 -0.01 -0.04 1.67 0.89 3g3tA1 ARG 280 HD2 0.03 0.00 -0.12 -0.04 3.22 3.09 3g3tA1 ARG 280 HD3 0.12 -0.01 -0.12 -0.04 3.22 3.16 3g3tA1 LYS 281 H -0.10 0.50 0.37 -0.55 8.42 8.64 3g3tA1 LYS 281 HA -0.01 0.27 1.16 -0.75 4.32 4.99 3g3tA1 LYS 281 HB2 0.02 -0.10 0.14 -0.04 1.87 1.88 3g3tA1 LYS 281 HB3 0.03 0.04 0.00 -0.04 1.79 1.82 3g3tA1 LYS 281 HG2 0.02 0.03 -0.02 -0.04 1.46 1.44 3g3tA1 LYS 281 HG3 0.01 -0.03 -0.10 -0.04 1.46 1.30 3g3tA1 LYS 281 HD2 0.09 -0.06 -0.06 -0.04 1.69 1.61 3g3tA1 LYS 281 HD3 0.05 0.03 -0.07 -0.04 1.68 1.65 3g3tA1 LYS 281 HE2 0.04 0.03 -0.09 -0.04 2.99 2.93 3g3tA1 LYS 281 HE3 0.08 -0.02 -0.10 -0.04 2.99 2.91 3g3tA1 THR 282 H 0.00 0.71 0.31 -0.55 8.28 8.75 3g3tA1 THR 282 HA 0.03 0.31 0.87 -0.75 4.39 4.85 3g3tA1 THR 282 HB -0.01 -0.11 0.07 -0.04 4.32 4.23 3g3tA1 THR 282 HG23 0.00 0.06 -0.25 -0.04 1.22 0.99 3g3tA1 HIS 283 H 0.13 0.72 0.07 -0.55 8.41 8.77 3g3tA1 HIS 283 HA -0.02 0.01 0.67 -0.75 4.63 4.54 3g3tA1 HIS 283 HB2 0.00 -0.02 0.04 -0.04 3.26 3.25 3g3tA1 HIS 283 HB3 0.01 0.04 0.11 -0.04 3.20 3.31 3g3tA1 HIS 283 HD2 -0.01 0.12 -0.56 -0.04 6.97 6.47 3g3tA1 HIS 283 HE1 -0.02 -0.03 -0.03 -0.04 7.75 7.62 3g3tA1 ARG 284 H -0.47 0.17 0.17 -0.55 8.46 7.78 3g3tA1 ARG 284 HA -0.36 0.03 0.81 -0.75 4.34 4.07 3g3tA1 ARG 284 HB2 -0.26 -0.00 -0.41 -0.04 1.90 1.18 3g3tA1 ARG 284 HB3 -0.31 0.04 -0.13 -0.04 1.80 1.36 3g3tA1 ARG 284 HG2 -0.15 -0.06 -0.46 -0.04 1.67 0.96 3g3tA1 ARG 284 HG3 -0.14 0.16 -0.29 -0.04 1.67 1.36 3g3tA1 ARG 284 HD2 -0.19 -0.01 -0.06 -0.04 3.22 2.92 3g3tA1 ARG 284 HD3 -0.15 0.01 -0.02 -0.04 3.22 3.02 3g3tA1 GLU 285 H -0.51 0.08 0.11 -0.55 8.60 7.74 3g3tA1 GLU 285 HA -0.19 0.16 0.60 -0.75 4.29 4.10 3g3tA1 GLU 285 HB2 -1.04 -0.02 0.14 -0.04 2.09 1.12 3g3tA1 GLU 285 HB3 -0.34 -0.08 0.08 -0.04 1.99 1.61 3g3tA1 GLU 285 HG2 0.08 0.00 -0.05 -0.04 2.34 2.33 3g3tA1 GLU 285 HG3 0.28 -0.01 0.07 -0.04 2.34 2.64 3g3tA1 ASP 286 H -0.07 0.19 0.19 -0.55 8.40 8.17 3g3tA1 ASP 286 HA -0.11 0.16 0.36 -0.75 4.63 4.29 3g3tA1 ASP 286 HB2 0.05 -0.03 0.14 -0.04 2.71 2.83 3g3tA1 ASP 286 HB3 0.02 0.05 0.03 -0.04 2.70 2.76 3g3tA1 TRP 287 H -0.04 0.03 -0.29 -0.55 7.97 7.13 3g3tA1 TRP 287 HA -0.00 0.11 0.26 -0.75 4.62 4.24 3g3tA1 TRP 287 HB2 0.00 0.06 0.08 -0.04 3.23 3.33 3g3tA1 TRP 287 HB3 0.01 -0.01 0.07 -0.04 3.23 3.26 3g3tA1 TRP 287 HD1 0.02 -0.00 0.02 -0.04 7.22 7.22 3g3tA1 TRP 287 HE1 0.03 0.02 0.03 -0.04 10.20 10.23 3g3tA1 TRP 287 HE3 -0.00 0.05 -0.44 -0.04 7.59 7.16 3g3tA1 TRP 287 HZ2 0.02 -0.01 0.02 -0.04 7.44 7.42 3g3tA1 TRP 287 HZ3 0.00 0.03 -0.05 -0.04 7.13 7.07 3g3tA1 TRP 287 HH2 0.01 0.02 -0.02 -0.04 7.19 7.16 3g3tA1 THR 288 H -0.70 0.38 -0.45 -0.55 8.28 6.98 3g3tA1 THR 288 HA -0.18 0.09 0.49 -0.75 4.39 4.03 3g3tA1 THR 288 HB -0.33 0.00 0.06 -0.04 4.32 4.01 3g3tA1 THR 288 HG23 -1.27 -0.03 0.05 -0.04 1.22 -0.08 3g3tA1 GLY 289 H -0.11 0.50 -0.22 -0.55 8.43 8.05 3g3tA1 GLY 289 HA2 -0.03 0.03 0.30 -0.51 4.01 3.80 3g3tA1 GLY 289 HA3 -0.02 0.09 0.56 -0.51 4.01 4.13 3g3tA1 GLU 290 H -0.17 0.01 -0.42 -0.55 8.60 7.47 3g3tA1 GLU 290 HA -0.08 0.18 0.84 -0.75 4.29 4.48 3g3tA1 GLU 290 HB2 -0.16 -0.07 -0.13 -0.04 2.09 1.69 3g3tA1 GLU 290 HB3 -0.09 0.04 0.01 -0.04 1.99 1.90 3g3tA1 GLU 290 HG2 -0.07 0.04 -0.14 -0.04 2.34 2.13 3g3tA1 GLU 290 HG3 -0.12 0.09 -0.26 -0.04 2.34 2.01 3g3tA1 LYS 291 H -0.07 0.13 0.11 -0.55 8.42 8.03 3g3tA1 LYS 291 HA -0.10 0.12 0.76 -0.75 4.32 4.35 3g3tA1 LYS 291 HB2 -0.05 -0.00 0.08 -0.04 1.87 1.86 3g3tA1 LYS 291 HB3 -0.05 0.03 0.10 -0.04 1.79 1.84 3g3tA1 LYS 291 HG2 -0.05 0.02 -0.06 -0.04 1.46 1.33 3g3tA1 LYS 291 HG3 -0.05 -0.00 -0.03 -0.04 1.46 1.34 3g3tA1 LYS 291 HD2 -0.03 -0.01 0.01 -0.04 1.69 1.63 3g3tA1 LYS 291 HD3 -0.03 -0.00 0.02 -0.04 1.68 1.62 3g3tA1 LYS 291 HE2 -0.03 -0.00 -0.02 -0.04 2.99 2.91 3g3tA1 LYS 291 HE3 -0.03 0.02 -0.01 -0.04 2.99 2.93 3g3tA1 SER 292 H -0.10 0.10 0.17 -0.55 8.46 8.08 3g3tA1 SER 292 HA -0.11 0.11 0.59 -0.75 4.49 4.33 3g3tA1 SER 292 HB2 -0.02 -0.02 0.09 -0.04 3.95 3.96 3g3tA1 SER 292 HB3 -0.01 0.10 0.12 -0.04 3.93 4.10 3g3tA1 VAL 293 H -0.03 0.56 0.34 -0.55 8.24 8.56 3g3tA1 VAL 293 HA -0.02 0.00 0.93 -0.75 4.13 4.29 3g3tA1 VAL 293 HB -0.02 0.00 0.03 -0.04 2.12 2.09 3g3tA1 VAL 293 HG13 -0.01 -0.01 -0.15 -0.04 0.97 0.76 3g3tA1 VAL 293 HG23 -0.04 0.02 -0.15 -0.04 0.95 0.74 3g3tA1 LYS 294 H -0.00 0.30 0.22 -0.55 8.42 8.38 3g3tA1 LYS 294 HA 0.00 0.23 0.99 -0.75 4.32 4.79 3g3tA1 LYS 294 HB2 0.01 -0.02 -0.04 -0.04 1.87 1.77 3g3tA1 LYS 294 HB3 0.00 0.00 0.07 -0.04 1.79 1.83 3g3tA1 LYS 294 HG2 0.00 0.00 -0.19 -0.04 1.46 1.24 3g3tA1 LYS 294 HG3 0.00 0.02 -0.02 -0.04 1.46 1.42 3g3tA1 LYS 294 HD2 0.01 -0.02 -0.10 -0.04 1.69 1.54 3g3tA1 LYS 294 HD3 0.02 -0.02 -0.08 -0.04 1.68 1.56 3g3tA1 LYS 294 HE2 0.01 0.00 -0.08 -0.04 2.99 2.88 3g3tA1 LYS 294 HE3 -0.00 0.01 -0.10 -0.04 2.99 2.86 3g3tA1 ALA 295 H 0.01 0.57 0.34 -0.55 8.40 8.77 3g3tA1 ALA 295 HA 0.03 0.12 0.70 -0.75 4.34 4.44 3g3tA1 ALA 295 HB3 0.05 0.02 -0.03 -0.04 1.41 1.41 3g3tA1 ARG 296 H 0.10 0.29 0.22 -0.55 8.46 8.51 3g3tA1 ARG 296 HA 0.09 0.33 0.84 -0.75 4.34 4.85 3g3tA1 ARG 296 HB2 0.09 0.02 -0.07 -0.04 1.90 1.90 3g3tA1 ARG 296 HB3 0.03 -0.02 -0.31 -0.04 1.80 1.46 3g3tA1 ARG 296 HG2 0.05 -0.04 -0.08 -0.04 1.67 1.56 3g3tA1 ARG 296 HG3 0.19 -0.01 -0.36 -0.04 1.67 1.45 3g3tA1 ARG 296 HD2 -0.20 -0.00 -0.16 -0.04 3.22 2.82 3g3tA1 ARG 296 HD3 -0.12 -0.00 -0.16 -0.04 3.22 2.90 3g3tA1 PHE 297 H -0.10 0.59 0.35 -0.55 8.34 8.62 3g3tA1 PHE 297 HA 0.14 0.10 0.42 -0.75 4.62 4.52 3g3tA1 PHE 297 HB2 0.16 0.00 0.16 -0.04 3.15 3.42 3g3tA1 PHE 297 HB3 0.15 0.04 0.04 -0.04 3.06 3.25 3g3tA1 PHE 297 HD2 -0.08 0.09 -0.19 -0.04 7.28 7.07 3g3tA1 PHE 297 HE2 -0.32 0.00 -0.11 -0.04 7.38 6.91 3g3tA1 PHE 297 HZ -1.23 0.02 -0.06 -0.04 7.32 6.00 3g3tA1 ALA 298 H 0.18 0.14 0.16 -0.55 8.40 8.33 3g3tA1 ALA 298 HA -0.42 0.25 0.75 -0.75 4.34 4.17 3g3tA1 ALA 298 HB3 -0.20 -0.01 0.01 -0.04 1.41 1.17 3g3tA1 LEU 299 H -0.36 0.71 0.41 -0.55 8.37 8.58 3g3tA1 LEU 299 HA -0.12 0.12 0.83 -0.75 4.35 4.43 3g3tA1 LEU 299 HB2 -0.40 0.05 0.02 -0.04 1.64 1.27 3g3tA1 LEU 299 HB3 -0.25 0.05 -0.15 -0.04 1.64 1.24 3g3tA1 LEU 299 HG -0.15 0.02 -0.13 -0.04 1.64 1.34 3g3tA1 LEU 299 HD13 -0.28 -0.01 -0.17 -0.04 0.93 0.43 3g3tA1 LEU 299 HD23 -0.03 0.01 0.06 -0.04 0.89 0.89 3g3tA1 LYS 300 H -0.03 0.14 0.15 -0.55 8.42 8.12 3g3tA1 LYS 300 HA -0.13 0.27 0.76 -0.75 4.32 4.46 3g3tA1 LYS 300 HB2 -0.09 -0.02 0.12 -0.04 1.87 1.83 3g3tA1 LYS 300 HB3 -0.17 -0.05 0.09 -0.04 1.79 1.62 3g3tA1 LYS 300 HG2 -0.06 0.02 0.03 -0.04 1.46 1.41 3g3tA1 LYS 300 HG3 -0.01 0.01 0.07 -0.04 1.46 1.48 3g3tA1 LYS 300 HD2 0.02 0.01 0.03 -0.04 1.69 1.70 3g3tA1 LYS 300 HD3 -0.07 -0.00 0.02 -0.04 1.68 1.59 3g3tA1 LYS 300 HE2 0.01 0.03 0.01 -0.04 2.99 2.99 3g3tA1 LYS 300 HE3 -0.02 0.00 -0.00 -0.04 2.99 2.93 3g3tA1 GLU 301 H -0.13 0.40 0.34 -0.55 8.60 8.67 3g3tA1 GLU 301 HA -0.19 0.07 0.29 -0.75 4.29 3.70 3g3tA1 GLU 301 HB2 -0.06 0.11 0.17 -0.04 2.09 2.27 3g3tA1 GLU 301 HB3 -0.06 -0.04 0.13 -0.04 1.99 1.98 3g3tA1 GLU 301 HG2 0.36 -0.03 0.03 -0.04 2.34 2.66 3g3tA1 GLU 301 HG3 0.07 0.12 -0.01 -0.04 2.34 2.48 3g3tA1 ARG 302 H -0.20 0.09 -0.13 -0.55 8.46 7.67 3g3tA1 ARG 302 HA -0.10 0.11 0.44 -0.75 4.34 4.04 3g3tA1 ARG 302 HB2 -0.20 0.05 0.11 -0.04 1.90 1.82 3g3tA1 ARG 302 HB3 -0.17 0.01 0.09 -0.04 1.80 1.69 3g3tA1 ARG 302 HG2 -0.46 -0.10 -0.05 -0.04 1.67 1.02 3g3tA1 ARG 302 HG3 -0.93 0.04 -0.30 -0.04 1.67 0.45 3g3tA1 ARG 302 HD2 -0.22 0.03 -0.03 -0.04 3.22 2.97 3g3tA1 ARG 302 HD3 -0.18 0.01 -0.00 -0.04 3.22 3.01 3g3tA1 HIS 303 H -0.29 0.47 -0.46 -0.55 8.41 7.58 3g3tA1 HIS 303 HA -0.31 0.18 0.90 -0.75 4.63 4.65 3g3tA1 HIS 303 HB2 -0.35 0.11 0.03 -0.04 3.26 3.01 3g3tA1 HIS 303 HB3 -0.82 -0.05 0.09 -0.04 3.20 2.37 3g3tA1 HIS 303 HD2 -0.21 -0.08 0.04 -0.04 6.97 6.68 3g3tA1 HIS 303 HE1 -0.15 0.03 -0.05 -0.04 7.75 7.54 3g3tA1 VAL 304 H -0.17 0.53 -0.11 -0.55 8.24 7.94 3g3tA1 VAL 304 HA -0.13 0.05 0.21 -0.75 4.13 3.51 3g3tA1 VAL 304 HB -0.65 0.06 0.16 -0.04 2.12 1.65 3g3tA1 VAL 304 HG13 -0.84 0.00 -0.17 -0.04 0.97 -0.07 3g3tA1 VAL 304 HG23 -0.69 0.02 -0.05 -0.04 0.95 0.19 3g3tA1 ASN 305 H 0.05 0.19 -0.05 -0.55 8.53 8.18 3g3tA1 ASN 305 HA 0.14 0.10 0.37 -0.75 4.76 4.61 3g3tA1 ASN 305 HB2 0.10 -0.02 0.05 -0.04 2.88 2.97 3g3tA1 ASN 305 HB3 0.11 0.10 -0.02 -0.04 2.79 2.93 3g3tA1 ASN 305 HD21 0.19 -0.05 0.07 -0.04 7.03 7.20 3g3tA1 ASN 305 HD22 0.12 0.04 0.02 -0.04 7.74 7.88 3g3tA1 ASP 306 H 0.06 0.12 -0.37 -0.55 8.40 7.66 3g3tA1 ASP 306 HA 0.07 0.09 0.38 -0.75 4.63 4.42 3g3tA1 ASP 306 HB2 0.07 0.09 0.05 -0.04 2.71 2.88 3g3tA1 ASP 306 HB3 0.15 -0.07 -0.13 -0.04 2.70 2.61 3g3tA1 PHE 307 H 0.21 0.65 -0.08 -0.55 8.34 8.57 3g3tA1 PHE 307 HA 0.14 0.18 0.57 -0.75 4.62 4.76 3g3tA1 PHE 307 HB2 0.19 -0.06 0.06 -0.04 3.15 3.30 3g3tA1 PHE 307 HB3 0.02 0.11 0.14 -0.04 3.06 3.28 3g3tA1 PHE 307 HD2 0.04 0.05 -0.12 -0.04 7.28 7.21 3g3tA1 PHE 307 HE2 0.07 -0.06 -0.12 -0.04 7.38 7.23 3g3tA1 PHE 307 HZ 0.21 0.09 0.05 -0.04 7.32 7.63 3g3tA1 LEU 308 H 0.09 0.54 -0.15 -0.55 8.37 8.30 3g3tA1 LEU 308 HA -0.33 0.01 0.26 -0.75 4.35 3.54 3g3tA1 LEU 308 HB2 0.05 0.10 0.08 -0.04 1.64 1.83 3g3tA1 LEU 308 HB3 -0.03 -0.00 0.01 -0.04 1.64 1.58 3g3tA1 LEU 308 HG 0.10 0.14 0.04 -0.04 1.64 1.89 3g3tA1 LEU 308 HD13 0.05 -0.03 -0.10 -0.04 0.93 0.82 3g3tA1 LEU 308 HD23 -0.07 -0.02 -0.09 -0.04 0.89 0.67 3g3tA1 LYS 309 H -0.03 0.18 -0.55 -0.55 8.42 7.47 3g3tA1 LYS 309 HA -0.03 0.12 0.53 -0.75 4.32 4.18 3g3tA1 LYS 309 HB2 0.03 0.27 0.15 -0.04 1.87 2.28 3g3tA1 LYS 309 HB3 0.02 -0.15 -0.01 -0.04 1.79 1.61 3g3tA1 LYS 309 HG2 0.02 -0.03 0.05 -0.04 1.46 1.46 3g3tA1 LYS 309 HG3 0.02 0.03 0.04 -0.04 1.46 1.51 3g3tA1 LYS 309 HD2 0.04 -0.02 -0.01 -0.04 1.69 1.66 3g3tA1 LYS 309 HD3 0.05 0.05 -0.03 -0.04 1.68 1.70 3g3tA1 LYS 309 HE2 0.05 -0.04 -0.08 -0.04 2.99 2.88 3g3tA1 LYS 309 HE3 0.03 -0.02 -0.02 -0.04 2.99 2.94 3g3tA1 GLY 310 H -0.14 0.37 -0.32 -0.55 8.43 7.79 3g3tA1 GLY 310 HA2 -0.11 0.04 0.28 -0.51 4.01 3.70 3g3tA1 GLY 310 HA3 -0.06 0.09 0.54 -0.51 4.01 4.07 3g3tA1 LYS 311 H 0.02 0.27 -0.17 -0.55 8.42 8.00 3g3tA1 LYS 311 HA 0.04 0.09 0.52 -0.75 4.32 4.22 3g3tA1 LYS 311 HB2 0.04 0.04 0.02 -0.04 1.87 1.93 3g3tA1 LYS 311 HB3 0.08 -0.05 0.09 -0.04 1.79 1.86 3g3tA1 LYS 311 HG2 0.09 -0.05 -0.16 -0.04 1.46 1.31 3g3tA1 LYS 311 HG3 0.05 0.01 0.05 -0.04 1.46 1.53 3g3tA1 LYS 311 HD2 0.04 0.03 -0.01 -0.04 1.69 1.71 3g3tA1 LYS 311 HD3 0.06 -0.04 -0.03 -0.04 1.68 1.63 3g3tA1 LYS 311 HE2 0.06 -0.03 -0.03 -0.04 2.99 2.95 3g3tA1 LYS 311 HE3 0.04 0.00 -0.01 -0.04 2.99 2.99 3g3tA1 TYR 312 H 0.18 0.40 -0.37 -0.55 8.29 7.95 3g3tA1 TYR 312 HA 0.00 0.09 0.72 -0.75 4.56 4.62 3g3tA1 TYR 312 HB2 0.06 -0.05 -0.13 -0.04 3.06 2.90 3g3tA1 TYR 312 HB3 0.13 -0.01 -0.07 -0.04 2.98 2.98 3g3tA1 TYR 312 HD2 -0.02 0.03 -0.05 -0.04 7.15 7.07 3g3tA1 TYR 312 HE2 -0.32 0.01 -0.05 -0.04 6.85 6.45 3g3tA1 THR 313 H -0.24 0.09 0.03 -0.55 8.28 7.62 3g3tA1 THR 313 HA -0.02 0.27 0.31 -0.75 4.39 4.19 3g3tA1 THR 313 HB -0.04 -0.04 0.11 -0.04 4.32 4.30 3g3tA1 THR 313 HG23 -0.04 0.09 -0.03 -0.04 1.22 1.19 3g3tA1 VAL 314 H 0.02 0.24 0.15 -0.55 8.24 8.10 3g3tA1 VAL 314 HA 0.07 0.11 0.44 -0.75 4.13 4.00 3g3tA1 VAL 314 HB 0.05 -0.03 0.14 -0.04 2.12 2.24 3g3tA1 VAL 314 HG13 0.16 0.02 -0.08 -0.04 0.97 1.03 3g3tA1 VAL 314 HG23 0.14 0.03 -0.00 -0.04 0.95 1.07 3g3tA1 ASP 315 H -0.02 0.12 -0.12 -0.55 8.40 7.83 3g3tA1 ASP 315 HA 0.02 0.09 0.32 -0.75 4.63 4.32 3g3tA1 ASP 315 HB2 -0.05 -0.03 0.05 -0.04 2.71 2.65 3g3tA1 ASP 315 HB3 -0.04 0.06 -0.04 -0.04 2.70 2.64 3g3tA1 GLN 316 H -0.21 0.04 -0.37 -0.55 8.47 7.38 3g3tA1 GLN 316 HA -0.22 0.05 0.45 -0.75 4.36 3.88 3g3tA1 GLN 316 HB2 -0.79 0.08 0.10 -0.04 2.15 1.50 3g3tA1 GLN 316 HB3 -0.99 0.02 -0.02 -0.04 2.02 0.99 3g3tA1 GLN 316 HG2 -0.18 0.04 0.04 -0.04 2.40 2.25 3g3tA1 GLN 316 HG3 -0.20 -0.06 0.03 -0.04 2.39 2.13 3g3tA1 GLN 316 HE21 0.07 0.08 0.05 -0.04 6.97 7.12 3g3tA1 GLN 316 HE22 -0.02 -0.01 0.03 -0.04 7.69 7.64 3g3tA1 VAL 317 H -0.39 0.52 -0.14 -0.55 8.24 7.69 3g3tA1 VAL 317 HA -0.21 -0.01 0.38 -0.75 4.13 3.53 3g3tA1 VAL 317 HB -0.65 0.11 0.14 -0.04 2.12 1.68 3g3tA1 VAL 317 HG13 -1.10 -0.02 -0.10 -0.04 0.97 -0.30 3g3tA1 VAL 317 HG23 -0.13 0.05 -0.07 -0.04 0.95 0.76 3g3tA1 PHE 318 H -0.09 0.43 -0.33 -0.55 8.34 7.80 3g3tA1 PHE 318 HA -0.05 0.12 0.67 -0.75 4.62 4.60 3g3tA1 PHE 318 HB2 -0.09 0.09 0.02 -0.04 3.15 3.13 3g3tA1 PHE 318 HB3 -0.07 -0.07 0.09 -0.04 3.06 2.98 3g3tA1 PHE 318 HD2 -0.11 0.04 -0.03 -0.04 7.28 7.15 3g3tA1 PHE 318 HE2 -0.24 -0.03 -0.03 -0.04 7.38 7.04 3g3tA1 PHE 318 HZ -0.78 0.03 -0.08 -0.04 7.32 6.45 3g3tA1 ALA 319 H -0.05 0.37 -0.28 -0.55 8.40 7.90 3g3tA1 ALA 319 HA 0.01 0.05 0.40 -0.75 4.34 4.05 3g3tA1 ALA 319 HB3 -0.03 0.03 0.12 -0.04 1.41 1.49 3g3tA1 LYS 320 H -0.00 0.23 -0.04 -0.55 8.42 8.06 3g3tA1 LYS 320 HA 0.01 0.09 0.39 -0.75 4.32 4.06 3g3tA1 LYS 320 HB2 0.02 0.03 0.11 -0.04 1.87 1.99 3g3tA1 LYS 320 HB3 0.02 0.02 0.07 -0.04 1.79 1.86 3g3tA1 LYS 320 HG2 0.02 -0.01 -0.12 -0.04 1.46 1.31 3g3tA1 LYS 320 HG3 0.02 0.01 0.06 -0.04 1.46 1.51 3g3tA1 LYS 320 HD2 0.02 -0.00 -0.01 -0.04 1.69 1.66 3g3tA1 LYS 320 HD3 0.02 0.02 -0.01 -0.04 1.68 1.67 3g3tA1 LYS 320 HE2 0.02 0.00 0.02 -0.04 2.99 2.99 3g3tA1 LYS 320 HE3 0.03 0.00 0.02 -0.04 2.99 3.00 3g3tA1 MET 321 H 0.05 0.16 -0.26 -0.55 8.47 7.87 3g3tA1 MET 321 HA 0.04 0.05 0.47 -0.75 4.52 4.33 3g3tA1 MET 321 HB2 0.08 -0.02 0.08 -0.04 2.15 2.25 3g3tA1 MET 321 HB3 0.10 0.02 0.09 -0.04 2.03 2.20 3g3tA1 MET 321 HG2 0.21 0.08 -0.03 -0.04 2.63 2.85 3g3tA1 MET 321 HG3 0.07 0.01 -0.39 -0.04 2.56 2.20 3g3tA1 MET 321 HE3 0.16 0.00 0.01 -0.04 2.10 2.24 3g3tA1 ARG 322 H 0.05 0.47 -0.24 -0.55 8.46 8.19 3g3tA1 ARG 322 HA 0.01 0.04 0.67 -0.75 4.34 4.30 3g3tA1 ARG 322 HB2 0.02 0.15 0.21 -0.04 1.90 2.25 3g3tA1 ARG 322 HB3 0.01 -0.03 0.02 -0.04 1.80 1.75 3g3tA1 ARG 322 HG2 -0.01 -0.06 0.03 -0.04 1.67 1.59 3g3tA1 ARG 322 HG3 0.04 0.05 0.02 -0.04 1.67 1.74 3g3tA1 ARG 322 HD2 -0.01 -0.06 -0.06 -0.04 3.22 3.05 3g3tA1 ARG 322 HD3 0.02 0.02 -0.06 -0.04 3.22 3.15 3g3tA1 LYS 323 H 0.02 0.51 -0.00 -0.55 8.42 8.40 3g3tA1 LYS 323 HA 0.01 0.03 0.40 -0.75 4.32 4.01 3g3tA1 LYS 323 HB2 0.01 0.06 0.22 -0.04 1.87 2.12 3g3tA1 LYS 323 HB3 0.01 -0.03 0.01 -0.04 1.79 1.74 3g3tA1 LYS 323 HG2 0.00 -0.02 0.04 -0.04 1.46 1.44 3g3tA1 LYS 323 HG3 0.01 0.06 0.06 -0.04 1.46 1.55 3g3tA1 LYS 323 HD2 0.01 -0.06 -0.09 -0.04 1.69 1.50 3g3tA1 LYS 323 HD3 0.01 -0.01 -0.02 -0.04 1.68 1.62 3g3tA1 LYS 323 HE2 0.00 0.00 -0.03 -0.04 2.99 2.93 3g3tA1 LYS 323 HE3 -0.00 0.01 -0.07 -0.04 2.99 2.89 3g3tA1 GLU 324 H 0.02 0.41 -0.15 -0.55 8.60 8.33 3g3tA1 GLU 324 HA 0.01 0.12 0.52 -0.75 4.29 4.18 3g3tA1 GLU 324 HB2 0.02 -0.06 0.07 -0.04 2.09 2.07 3g3tA1 GLU 324 HB3 0.01 -0.02 0.13 -0.04 1.99 2.07 3g3tA1 GLU 324 HG2 0.01 -0.01 -0.02 -0.04 2.34 2.28 3g3tA1 GLU 324 HG3 0.02 0.35 0.11 -0.04 2.34 2.77 3g3tA1 GLY 325 H 0.01 0.25 -0.63 -0.55 8.43 7.52 3g3tA1 GLY 325 HA2 0.00 0.05 0.31 -0.51 4.01 3.87 3g3tA1 GLY 325 HA3 0.00 0.02 0.23 -0.51 4.01 3.75 3g3tA1 LYS 326 H 0.01 -0.01 -0.61 -0.55 8.42 7.25 3g3tA1 LYS 326 HA 0.01 0.13 0.57 -0.75 4.32 4.27 3g3tA1 LYS 326 HB2 0.02 -0.09 0.02 -0.04 1.87 1.78 3g3tA1 LYS 326 HB3 0.01 -0.04 0.03 -0.04 1.79 1.75 3g3tA1 LYS 326 HG2 0.01 0.01 0.04 -0.04 1.46 1.48 3g3tA1 LYS 326 HG3 0.01 0.21 0.02 -0.04 1.46 1.66 3g3tA1 LYS 326 HD2 0.02 -0.06 0.00 -0.04 1.69 1.61 3g3tA1 LYS 326 HD3 0.01 -0.03 0.01 -0.04 1.68 1.63 3g3tA1 LYS 326 HE2 0.01 0.01 0.02 -0.04 2.99 2.99 3g3tA1 LYS 326 HE3 0.01 0.02 0.03 -0.04 2.99 3.01 3g3tA1 LYS 327 H 0.01 0.08 -0.13 -0.55 8.42 7.83 3g3tA1 LYS 327 HA 0.01 0.18 0.69 -0.75 4.32 4.44 3g3tA1 LYS 327 HB2 0.03 -0.03 0.01 -0.04 1.87 1.84 3g3tA1 LYS 327 HB3 0.01 -0.01 -0.00 -0.04 1.79 1.75 3g3tA1 LYS 327 HG2 -0.00 -0.08 -0.14 -0.04 1.46 1.19 3g3tA1 LYS 327 HG3 -0.00 0.09 -0.05 -0.04 1.46 1.46 3g3tA1 LYS 327 HD2 0.02 -0.02 -0.02 -0.04 1.69 1.63 3g3tA1 LYS 327 HD3 0.02 0.04 0.00 -0.04 1.68 1.71 3g3tA1 LYS 327 HE2 0.05 -0.01 -0.03 -0.04 2.99 2.96 3g3tA1 LYS 327 HE3 0.05 -0.02 -0.06 -0.04 2.99 2.92 3g3tA1 PRO 328 HA -0.01 0.12 0.47 -0.51 4.44 4.51 3g3tA1 PRO 328 HB2 -0.01 -0.18 0.09 -0.04 2.28 2.14 3g3tA1 PRO 328 HB3 -0.01 0.07 0.13 -0.04 2.02 2.16 3g3tA1 PRO 328 HG2 -0.00 0.04 0.11 -0.04 2.03 2.13 3g3tA1 PRO 328 HG3 -0.00 0.13 0.11 -0.04 2.03 2.23 3g3tA1 PRO 328 HD2 -0.00 0.03 0.22 -0.04 3.68 3.88 3g3tA1 PRO 328 HD3 0.00 0.33 0.28 -0.04 3.65 4.22 3g3tA1 MET 329 H -0.02 0.22 0.21 -0.55 8.47 8.33 3g3tA1 MET 329 HA -0.04 0.12 0.29 -0.75 4.52 4.14 3g3tA1 MET 329 HB2 -0.02 0.11 0.18 -0.04 2.15 2.37 3g3tA1 MET 329 HB3 -0.03 -0.00 0.08 -0.04 2.03 2.04 3g3tA1 MET 329 HG2 -0.05 -0.11 0.09 -0.04 2.63 2.52 3g3tA1 MET 329 HG3 -0.03 0.08 0.07 -0.04 2.56 2.63 3g3tA1 MET 329 HE3 -0.04 -0.00 -0.02 -0.04 2.10 2.00 3g3tA1 ASN 330 H -0.03 0.11 -0.22 -0.55 8.53 7.85 3g3tA1 ASN 330 HA -0.05 0.10 0.47 -0.75 4.76 4.53 3g3tA1 ASN 330 HB2 -0.03 0.05 0.06 -0.04 2.88 2.92 3g3tA1 ASN 330 HB3 -0.03 0.03 0.08 -0.04 2.79 2.83 3g3tA1 ASN 330 HD21 -0.02 0.03 -0.05 -0.04 7.03 6.95 3g3tA1 ASN 330 HD22 -0.02 0.03 -0.08 -0.04 7.74 7.62 3g3tA1 GLU 331 H -0.04 0.28 -0.26 -0.55 8.60 8.04 3g3tA1 GLU 331 HA -0.04 0.07 0.53 -0.75 4.29 4.10 3g3tA1 GLU 331 HB2 -0.02 0.20 0.07 -0.04 2.09 2.29 3g3tA1 GLU 331 HB3 -0.02 -0.01 0.01 -0.04 1.99 1.93 3g3tA1 GLU 331 HG2 -0.02 0.00 0.02 -0.04 2.34 2.30 3g3tA1 GLU 331 HG3 -0.02 -0.07 0.04 -0.04 2.34 2.26 3g3tA1 ILE 332 H -0.07 0.38 -0.19 -0.55 8.25 7.82 3g3tA1 ILE 332 HA -0.23 0.03 0.43 -0.75 4.18 3.66 3g3tA1 ILE 332 HB -0.10 0.11 0.10 -0.04 1.89 1.96 3g3tA1 ILE 332 HG12 -0.04 -0.07 -0.09 -0.04 1.49 1.25 3g3tA1 ILE 332 HG13 -0.04 0.15 -0.20 -0.04 1.21 1.08 3g3tA1 ILE 332 HG23 -0.19 -0.01 -0.10 -0.04 0.93 0.59 3g3tA1 ILE 332 HD13 -0.01 -0.00 -0.12 -0.04 0.88 0.71 3g3tA1 GLU 333 H -0.11 0.62 -0.11 -0.55 8.60 8.45 3g3tA1 GLU 333 HA -0.16 0.01 0.44 -0.75 4.29 3.83 3g3tA1 GLU 333 HB2 -0.07 0.11 0.19 -0.04 2.09 2.27 3g3tA1 GLU 333 HB3 -0.07 -0.02 -0.03 -0.04 1.99 1.82 3g3tA1 GLU 333 HG2 -0.07 0.09 0.04 -0.04 2.34 2.35 3g3tA1 GLU 333 HG3 -0.05 -0.02 0.00 -0.04 2.34 2.23 3g3tA1 ASN 334 H -0.10 0.43 -0.29 -0.55 8.53 8.03 3g3tA1 ASN 334 HA -0.07 0.01 0.43 -0.75 4.76 4.38 3g3tA1 ASN 334 HB2 -0.05 0.09 0.17 -0.04 2.88 3.05 3g3tA1 ASN 334 HB3 -0.06 0.16 0.19 -0.04 2.79 3.05 3g3tA1 ASN 334 HD21 -0.02 -0.00 -0.00 -0.04 7.03 6.97 3g3tA1 ASN 334 HD22 -0.03 0.00 0.04 -0.04 7.74 7.71 3g3tA1 LEU 335 H -0.20 0.55 -0.17 -0.55 8.37 8.00 3g3tA1 LEU 335 HA -0.08 0.02 0.45 -0.75 4.35 3.98 3g3tA1 LEU 335 HB2 -0.36 0.13 0.20 -0.04 1.64 1.57 3g3tA1 LEU 335 HB3 -0.62 -0.05 -0.02 -0.04 1.64 0.91 3g3tA1 LEU 335 HG 0.19 -0.05 0.09 -0.04 1.64 1.83 3g3tA1 LEU 335 HD13 0.05 0.01 0.03 -0.04 0.93 0.98 3g3tA1 LEU 335 HD23 0.06 0.01 -0.01 -0.04 0.89 0.90 3g3tA1 GLU 336 H -0.43 0.52 -0.26 -0.55 8.60 7.88 3g3tA1 GLU 336 HA -0.30 -0.00 0.54 -0.75 4.29 3.77 3g3tA1 GLU 336 HB2 -0.22 0.14 0.17 -0.04 2.09 2.14 3g3tA1 GLU 336 HB3 -0.13 -0.08 -0.01 -0.04 1.99 1.72 3g3tA1 GLU 336 HG2 -0.35 -0.07 -0.04 -0.04 2.34 1.84 3g3tA1 GLU 336 HG3 -0.77 0.23 0.01 -0.04 2.34 1.78 3g3tA1 ALA 337 H -0.12 0.59 -0.09 -0.55 8.40 8.23 3g3tA1 ALA 337 HA -0.03 0.00 0.41 -0.75 4.34 3.98 3g3tA1 ALA 337 HB3 -0.04 0.04 0.09 -0.04 1.41 1.46 3g3tA1 LEU 338 H -0.04 0.47 -0.25 -0.55 8.37 8.01 3g3tA1 LEU 338 HA 0.07 0.02 0.37 -0.75 4.35 4.06 3g3tA1 LEU 338 HB2 0.05 0.04 0.05 -0.04 1.64 1.75 3g3tA1 LEU 338 HB3 0.04 0.11 0.13 -0.04 1.64 1.88 3g3tA1 LEU 338 HG 0.28 -0.01 -0.42 -0.04 1.64 1.45 3g3tA1 LEU 338 HD13 0.11 -0.01 -0.09 -0.04 0.93 0.90 3g3tA1 LEU 338 HD23 0.23 0.00 -0.23 -0.04 0.89 0.85 3g3tA1 ALA 339 H -0.04 0.67 -0.07 -0.55 8.40 8.41 3g3tA1 ALA 339 HA 0.29 0.01 0.42 -0.75 4.34 4.30 3g3tA1 ALA 339 HB3 -0.22 0.01 0.10 -0.04 1.41 1.26 3g3tA1 SER 340 H 0.07 0.66 -0.16 -0.55 8.46 8.49 3g3tA1 SER 340 HA 0.10 -0.01 0.48 -0.75 4.49 4.30 3g3tA1 SER 340 HB2 0.04 -0.02 0.12 -0.04 3.95 4.05 3g3tA1 SER 340 HB3 0.03 0.12 0.13 -0.04 3.93 4.17 3g3tA1 GLU 341 H 0.10 0.54 -0.22 -0.55 8.60 8.47 3g3tA1 GLU 341 HA 0.12 0.01 0.40 -0.75 4.29 4.06 3g3tA1 GLU 341 HB2 0.11 0.12 0.14 -0.04 2.09 2.42 3g3tA1 GLU 341 HB3 0.12 -0.07 0.00 -0.04 1.99 2.01 3g3tA1 GLU 341 HG2 0.03 -0.06 0.02 -0.04 2.34 2.28 3g3tA1 GLU 341 HG3 0.03 0.10 0.08 -0.04 2.34 2.51 3g3tA1 ILE 342 H 0.21 0.53 -0.21 -0.55 8.25 8.23 3g3tA1 ILE 342 HA 0.20 -0.00 0.52 -0.75 4.18 4.14 3g3tA1 ILE 342 HB 0.41 0.12 0.12 -0.04 1.89 2.50 3g3tA1 ILE 342 HG12 0.39 -0.06 -0.08 -0.04 1.49 1.70 3g3tA1 ILE 342 HG13 0.27 0.12 -0.02 -0.04 1.21 1.54 3g3tA1 ILE 342 HG23 0.23 -0.02 -0.19 -0.04 0.93 0.91 3g3tA1 ILE 342 HD13 0.33 -0.03 -0.24 -0.04 0.88 0.90 3g3tA1 GLN 343 H 0.13 0.62 -0.06 -0.55 8.47 8.61 3g3tA1 GLN 343 HA -0.25 0.06 0.39 -0.75 4.36 3.81 3g3tA1 GLN 343 HB2 -0.08 0.15 0.21 -0.04 2.15 2.39 3g3tA1 GLN 343 HB3 -0.05 0.01 0.06 -0.04 2.02 1.99 3g3tA1 GLN 343 HG2 -0.30 0.00 0.01 -0.04 2.40 2.07 3g3tA1 GLN 343 HG3 -1.00 0.09 0.06 -0.04 2.39 1.50 3g3tA1 GLN 343 HE21 -0.07 -0.12 0.10 -0.04 6.97 6.84 3g3tA1 GLN 343 HE22 -0.51 0.41 0.22 -0.04 7.69 7.77 3g3tA1 TYR 344 H 0.15 0.51 -0.30 -0.55 8.29 8.10 3g3tA1 TYR 344 HA -0.03 0.03 0.36 -0.75 4.56 4.17 3g3tA1 TYR 344 HB2 0.00 0.06 0.11 -0.04 3.06 3.19 3g3tA1 TYR 344 HB3 0.02 0.08 0.14 -0.04 2.98 3.18 3g3tA1 TYR 344 HD2 0.01 0.02 -0.05 -0.04 7.15 7.09 3g3tA1 TYR 344 HE2 0.01 0.00 -0.02 -0.04 6.85 6.80 3g3tA1 VAL 345 H 0.08 0.58 -0.06 -0.55 8.24 8.29 3g3tA1 VAL 345 HA -0.12 -0.03 0.44 -0.75 4.13 3.66 3g3tA1 VAL 345 HB -0.11 0.10 0.12 -0.04 2.12 2.19 3g3tA1 VAL 345 HG13 -0.04 -0.03 -0.09 -0.04 0.97 0.77 3g3tA1 VAL 345 HG23 0.16 0.04 0.05 -0.04 0.95 1.16 3g3tA1 MET 346 H -0.12 0.65 -0.26 -0.55 8.47 8.19 3g3tA1 MET 346 HA -0.10 -0.13 0.33 -0.75 4.52 3.87 3g3tA1 MET 346 HB2 -0.13 0.25 0.17 -0.04 2.15 2.39 3g3tA1 MET 346 HB3 -0.09 0.05 0.01 -0.04 2.03 1.97 3g3tA1 MET 346 HG2 -0.21 0.03 0.01 -0.04 2.63 2.42 3g3tA1 MET 346 HG3 -0.16 -0.04 -0.08 -0.04 2.56 2.24 3g3tA1 MET 346 HE3 -0.56 -0.02 -0.11 -0.04 2.10 1.37 3g3tA1 LEU 347 H -0.15 0.43 -0.23 -0.55 8.37 7.88 3g3tA1 LEU 347 HA -0.07 0.09 0.61 -0.75 4.35 4.23 3g3tA1 LEU 347 HB2 -0.09 0.07 0.10 -0.04 1.64 1.68 3g3tA1 LEU 347 HB3 -0.18 0.06 0.20 -0.04 1.64 1.68 3g3tA1 LEU 347 HG -0.12 -0.03 -0.23 -0.04 1.64 1.22 3g3tA1 LEU 347 HD13 -0.04 -0.01 0.06 -0.04 0.93 0.90 3g3tA1 LEU 347 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.79 3g3tA1 LYS 348 H -0.37 0.80 0.15 -0.55 8.42 8.45 3g3tA1 LYS 348 HA -0.20 0.06 0.31 -0.75 4.32 3.74 3g3tA1 LYS 348 HB2 -0.91 0.01 0.10 -0.04 1.87 1.04 3g3tA1 LYS 348 HB3 -0.41 -0.02 0.11 -0.04 1.79 1.43 3g3tA1 LYS 348 HG2 -0.05 -0.03 -0.04 -0.04 1.46 1.30 3g3tA1 LYS 348 HG3 -0.07 -0.03 -0.21 -0.04 1.46 1.10 3g3tA1 LYS 348 HD2 -0.08 0.03 0.10 -0.04 1.69 1.70 3g3tA1 LYS 348 HD3 -0.07 0.00 0.02 -0.04 1.68 1.60 3g3tA1 LYS 348 HE2 0.07 -0.01 -0.01 -0.04 2.99 3.00 3g3tA1 LYS 348 HE3 0.02 -0.02 -0.00 -0.04 2.99 2.95 3g3tA1 LYS 349 H -0.10 0.59 -0.15 -0.55 8.42 8.21 3g3tA1 LYS 349 HA -0.00 0.00 0.68 -0.75 4.32 4.25 3g3tA1 LYS 349 HB2 -0.01 0.00 0.07 -0.04 1.87 1.89 3g3tA1 LYS 349 HB3 0.05 0.00 0.06 -0.04 1.79 1.85 3g3tA1 LYS 349 HG2 0.03 0.04 -0.03 -0.04 1.46 1.47 3g3tA1 LYS 349 HG3 0.02 0.00 -0.05 -0.04 1.46 1.39 3g3tA1 LYS 349 HD2 0.08 0.00 -0.04 -0.04 1.69 1.70 3g3tA1 LYS 349 HD3 0.09 -0.15 -0.01 -0.04 1.68 1.57 3g3tA1 LYS 349 HE2 0.08 0.04 -0.04 -0.04 2.99 3.03 3g3tA1 LYS 349 HE3 0.09 0.00 -0.04 -0.04 2.99 3.00 3g3tA1 LYS 350 H -0.03 0.37 -0.63 -0.55 8.42 7.57 3g3tA1 LYS 350 HA 0.02 0.20 0.37 -0.75 4.32 4.16 3g3tA1 LYS 350 HB2 0.04 -0.04 0.03 -0.04 1.87 1.86 3g3tA1 LYS 350 HB3 0.04 -0.04 0.19 -0.04 1.79 1.94 3g3tA1 LYS 350 HG2 0.00 0.11 0.06 -0.04 1.46 1.59 3g3tA1 LYS 350 HG3 -0.00 0.05 -0.20 -0.04 1.46 1.27 3g3tA1 LYS 350 HD2 0.02 -0.08 -0.02 -0.04 1.69 1.57 3g3tA1 LYS 350 HD3 0.02 -0.04 0.03 -0.04 1.68 1.65 3g3tA1 LYS 350 HE2 0.01 -0.05 0.01 -0.04 2.99 2.92 3g3tA1 LYS 350 HE3 0.00 0.04 0.02 -0.04 2.99 3.02 3g3tA1 LEU 351 H 0.04 0.35 -0.03 -0.55 8.37 8.18 3g3tA1 LEU 351 HA 0.16 0.06 0.26 -0.75 4.35 4.08 3g3tA1 LEU 351 HB2 0.13 0.04 -0.03 -0.04 1.64 1.74 3g3tA1 LEU 351 HB3 0.29 -0.09 -0.09 -0.04 1.64 1.71 3g3tA1 LEU 351 HG 0.00 0.13 -0.16 -0.04 1.64 1.57 3g3tA1 LEU 351 HD13 -0.12 -0.01 -0.21 -0.04 0.93 0.54 3g3tA1 LEU 351 HD23 0.11 -0.02 -0.27 -0.04 0.89 0.68 3g3tA1 ARG 352 H 0.18 0.51 0.40 -0.55 8.46 9.00 3g3tA1 ARG 352 HA 0.20 0.16 0.58 -0.75 4.34 4.52 3g3tA1 ARG 352 HB2 -0.02 0.02 0.13 -0.04 1.90 1.98 3g3tA1 ARG 352 HB3 0.08 0.09 -0.12 -0.04 1.80 1.81 3g3tA1 ARG 352 HG2 0.14 0.00 0.02 -0.04 1.67 1.79 3g3tA1 ARG 352 HG3 -0.01 -0.02 -0.20 -0.04 1.67 1.40 3g3tA1 ARG 352 HD2 0.02 0.00 -0.00 -0.04 3.22 3.19 3g3tA1 ARG 352 HD3 -0.05 -0.18 -0.00 -0.04 3.22 2.94 3g3tA1 PRO 353 HA -0.99 0.06 0.46 -0.51 4.44 3.46 3g3tA1 PRO 353 HB2 -0.25 0.12 -0.06 -0.04 2.28 2.05 3g3tA1 PRO 353 HB3 -0.31 0.03 -0.03 -0.04 2.02 1.67 3g3tA1 PRO 353 HG2 -0.10 0.14 -0.06 -0.04 2.03 1.97 3g3tA1 PRO 353 HG3 -0.30 0.10 0.04 -0.04 2.03 1.83 3g3tA1 PRO 353 HD2 -0.12 0.07 0.15 -0.04 3.68 3.73 3g3tA1 PRO 353 HD3 -0.01 0.14 0.12 -0.04 3.65 3.85 3g3tA1 VAL 354 H -0.14 0.57 0.38 -0.55 8.24 8.50 3g3tA1 VAL 354 HA -0.22 0.11 0.93 -0.75 4.13 4.19 3g3tA1 VAL 354 HB 0.16 0.04 0.02 -0.04 2.12 2.30 3g3tA1 VAL 354 HG13 0.11 -0.02 -0.14 -0.04 0.97 0.88 3g3tA1 VAL 354 HG23 0.08 0.02 -0.20 -0.04 0.95 0.81 3g3tA1 VAL 355 H 0.12 0.38 0.32 -0.55 8.24 8.52 3g3tA1 VAL 355 HA 0.02 0.23 0.86 -0.75 4.13 4.48 3g3tA1 VAL 355 HB 0.07 0.02 -0.22 -0.04 2.12 1.96 3g3tA1 VAL 355 HG13 0.25 -0.02 -0.03 -0.04 0.97 1.13 3g3tA1 VAL 355 HG23 0.07 0.03 -0.10 -0.04 0.95 0.91 3g3tA1 ARG 356 H 0.05 0.77 0.37 -0.55 8.46 9.09 3g3tA1 ARG 356 HA 0.15 0.30 1.18 -0.75 4.34 5.22 3g3tA1 ARG 356 HB2 0.02 -0.02 0.06 -0.04 1.90 1.91 3g3tA1 ARG 356 HB3 -0.01 -0.01 0.17 -0.04 1.80 1.90 3g3tA1 ARG 356 HG2 0.07 -0.05 -0.49 -0.04 1.67 1.16 3g3tA1 ARG 356 HG3 0.02 0.05 -0.03 -0.04 1.67 1.67 3g3tA1 ARG 356 HD2 -0.22 -0.05 -0.15 -0.04 3.22 2.76 3g3tA1 ARG 356 HD3 -0.05 0.03 -0.12 -0.04 3.22 3.03 3g3tA1 SER 357 H 0.21 0.55 0.44 -0.55 8.46 9.11 3g3tA1 SER 357 HA 0.20 0.29 1.13 -0.75 4.49 5.35 3g3tA1 SER 357 HB2 0.21 0.04 0.09 -0.04 3.95 4.24 3g3tA1 SER 357 HB3 0.29 -0.08 0.02 -0.04 3.93 4.12 3g3tA1 PHE 358 H 0.31 0.67 0.45 -0.55 8.34 9.21 3g3tA1 PHE 358 HA -0.05 0.32 1.09 -0.75 4.62 5.22 3g3tA1 PHE 358 HB2 0.11 -0.02 -0.04 -0.04 3.15 3.16 3g3tA1 PHE 358 HB3 0.30 -0.02 0.07 -0.04 3.06 3.37 3g3tA1 PHE 358 HD2 0.14 0.09 -0.06 -0.04 7.28 7.40 3g3tA1 PHE 358 HE2 -0.14 -0.04 -0.02 -0.04 7.38 7.14 3g3tA1 PHE 358 HZ -0.02 -0.01 -0.05 -0.04 7.32 7.21 3g3tA1 TYR 359 H -0.98 0.57 0.42 -0.55 8.29 7.76 3g3tA1 TYR 359 HA -0.60 0.23 0.14 -0.75 4.56 3.58 3g3tA1 TYR 359 HB2 -0.24 0.05 0.12 -0.04 3.06 2.95 3g3tA1 TYR 359 HB3 -0.19 0.03 0.14 -0.04 2.98 2.93 3g3tA1 TYR 359 HD2 -0.15 0.02 -0.35 -0.04 7.15 6.63 3g3tA1 TYR 359 HE2 -0.07 -0.03 -0.15 -0.04 6.85 6.56 3g3tA1 ASN 360 H -0.24 0.68 0.31 -0.55 8.53 8.73 3g3tA1 ASN 360 HA -0.33 0.30 0.88 -0.75 4.76 4.85 3g3tA1 ASN 360 HB2 -0.19 -0.07 0.08 -0.04 2.88 2.67 3g3tA1 ASN 360 HB3 -0.11 0.03 -0.08 -0.04 2.79 2.59 3g3tA1 ASN 360 HD21 0.07 0.01 -0.06 -0.04 7.03 7.01 3g3tA1 ASN 360 HD22 -0.23 -0.05 -0.10 -0.04 7.74 7.32 3g3tA1 ARG 361 H -0.13 0.71 0.31 -0.55 8.46 8.80 3g3tA1 ARG 361 HA 0.06 0.00 1.13 -0.75 4.34 4.78 3g3tA1 ARG 361 HB2 0.16 0.00 -0.08 -0.04 1.90 1.94 3g3tA1 ARG 361 HB3 -0.01 0.00 0.09 -0.04 1.80 1.85 3g3tA1 ARG 361 HG2 0.03 0.00 -0.31 -0.04 1.67 1.35 3g3tA1 ARG 361 HG3 0.10 -0.02 -0.09 -0.04 1.67 1.62 3g3tA1 ARG 361 HD2 0.18 0.00 -0.10 -0.04 3.22 3.26 3g3tA1 ARG 361 HD3 0.07 0.00 -0.09 -0.04 3.22 3.16 3g3tA1 THR 362 H 0.02 0.59 0.36 -0.55 8.28 8.70 3g3tA1 THR 362 HA -0.14 0.19 0.92 -0.75 4.39 4.61 3g3tA1 THR 362 HB -0.03 -0.03 0.12 -0.04 4.32 4.35 3g3tA1 THR 362 HG23 -0.54 0.03 -0.04 -0.04 1.22 0.62 3g3tA1 ALA 363 H -0.27 0.24 0.22 -0.55 8.40 8.04 3g3tA1 ALA 363 HA -0.04 0.28 1.22 -0.75 4.34 5.06 3g3tA1 ALA 363 HB3 -0.04 0.00 0.03 -0.04 1.41 1.36 3g3tA1 PHE 364 H 0.22 0.80 0.42 -0.55 8.34 9.22 3g3tA1 PHE 364 HA 0.02 0.26 0.95 -0.75 4.62 5.10 3g3tA1 PHE 364 HB2 0.07 -0.10 -0.00 -0.04 3.15 3.08 3g3tA1 PHE 364 HB3 0.04 0.11 -0.30 -0.04 3.06 2.87 3g3tA1 PHE 364 HD2 0.03 0.11 -0.31 -0.04 7.28 7.07 3g3tA1 PHE 364 HE2 0.02 -0.02 -0.14 -0.04 7.38 7.19 3g3tA1 PHE 364 HZ 0.01 -0.04 -0.10 -0.04 7.32 7.15 3g3tA1 GLN 365 H 0.13 0.77 0.16 -0.55 8.47 8.98 3g3tA1 GLN 365 HA 0.11 0.12 0.88 -0.75 4.36 4.71 3g3tA1 GLN 365 HB2 0.05 -0.12 -0.53 -0.04 2.15 1.50 3g3tA1 GLN 365 HB3 0.03 -0.02 -0.19 -0.04 2.02 1.81 3g3tA1 GLN 365 HG2 0.03 0.10 -0.08 -0.04 2.40 2.42 3g3tA1 GLN 365 HG3 0.05 0.03 0.09 -0.04 2.39 2.53 3g3tA1 GLN 365 HE21 0.00 -0.03 -0.09 -0.04 6.97 6.81 3g3tA1 GLN 365 HE22 0.01 0.00 -0.14 -0.04 7.69 7.52 3g3tA1 LEU 366 H 0.07 0.22 0.25 -0.55 8.37 8.37 3g3tA1 LEU 366 HA 0.03 0.21 0.96 -0.75 4.35 4.79 3g3tA1 LEU 366 HB2 0.05 -0.04 0.23 -0.04 1.64 1.84 3g3tA1 LEU 366 HB3 0.03 0.07 0.07 -0.04 1.64 1.77 3g3tA1 LEU 366 HG 0.05 -0.04 0.13 -0.04 1.64 1.74 3g3tA1 LEU 366 HD13 0.05 0.02 0.10 -0.04 0.93 1.06 3g3tA1 LEU 366 HD23 0.01 0.02 0.11 -0.04 0.89 0.98 3g3tA1 PRO 367 HA 0.01 0.00 0.44 -0.51 4.44 4.38 3g3tA1 PRO 367 HB2 0.01 0.03 -0.00 -0.04 2.28 2.27 3g3tA1 PRO 367 HB3 0.01 0.02 0.09 -0.04 2.02 2.10 3g3tA1 PRO 367 HG2 0.01 0.03 0.11 -0.04 2.03 2.13 3g3tA1 PRO 367 HG3 0.01 0.04 0.09 -0.04 2.03 2.13 3g3tA1 PRO 367 HD2 0.01 0.09 0.25 -0.04 3.68 4.00 3g3tA1 PRO 367 HD3 0.01 0.22 0.20 -0.04 3.65 4.04 3g3tA1 GLY 368 H 0.00 0.11 0.15 -0.55 8.43 8.15 3g3tA1 GLY 368 HA2 -0.00 -0.02 0.32 -0.51 4.01 3.80 3g3tA1 GLY 368 HA3 0.00 0.09 0.35 -0.51 4.01 3.95 3g3tA1 ASP 369 H 0.01 0.48 -0.42 -0.55 8.40 7.92 3g3tA1 ASP 369 HA -0.01 0.11 0.88 -0.75 4.63 4.86 3g3tA1 ASP 369 HB2 0.02 0.09 -0.08 -0.04 2.71 2.70 3g3tA1 ASP 369 HB3 0.03 0.04 0.12 -0.04 2.70 2.86 3g3tA1 ALA 370 H -0.06 0.21 0.04 -0.55 8.40 8.04 3g3tA1 ALA 370 HA -0.03 0.25 0.74 -0.75 4.34 4.54 3g3tA1 ALA 370 HB3 -0.11 0.01 -0.00 -0.04 1.41 1.27 3g3tA1 ARG 371 H -0.03 0.06 -0.17 -0.55 8.46 7.77 3g3tA1 ARG 371 HA -0.08 0.33 0.56 -0.75 4.34 4.40 3g3tA1 ARG 371 HB2 0.02 -0.03 0.13 -0.04 1.90 1.98 3g3tA1 ARG 371 HB3 -0.02 -0.01 0.07 -0.04 1.80 1.80 3g3tA1 ARG 371 HG2 -0.03 0.10 0.17 -0.04 1.67 1.87 3g3tA1 ARG 371 HG3 -0.04 -0.08 0.12 -0.04 1.67 1.63 3g3tA1 ARG 371 HD2 0.01 0.01 0.07 -0.04 3.22 3.27 3g3tA1 ARG 371 HD3 0.00 0.00 0.07 -0.04 3.22 3.26 3g3tA1 VAL 372 H 0.04 0.18 -0.16 -0.55 8.24 7.75 3g3tA1 VAL 372 HA -0.02 0.00 0.85 -0.75 4.13 4.21 3g3tA1 VAL 372 HB -0.10 0.00 -0.08 -0.04 2.12 1.90 3g3tA1 VAL 372 HG13 0.25 -0.03 -0.02 -0.04 0.97 1.13 3g3tA1 VAL 372 HG23 -0.07 0.02 -0.17 -0.04 0.95 0.69 3g3tA1 ARG 373 H 0.03 0.71 0.35 -0.55 8.46 9.00 3g3tA1 ARG 373 HA 0.11 0.26 0.97 -0.75 4.34 4.92 3g3tA1 ARG 373 HB2 0.03 -0.03 0.11 -0.04 1.90 1.97 3g3tA1 ARG 373 HB3 0.06 0.01 0.04 -0.04 1.80 1.87 3g3tA1 ARG 373 HG2 0.05 0.04 0.10 -0.04 1.67 1.82 3g3tA1 ARG 373 HG3 0.03 -0.05 -0.36 -0.04 1.67 1.25 3g3tA1 ARG 373 HD2 0.00 0.00 -0.07 -0.04 3.22 3.11 3g3tA1 ARG 373 HD3 0.02 -0.03 -0.05 -0.04 3.22 3.12 3g3tA1 ILE 374 H 0.18 0.63 0.37 -0.55 8.25 8.88 3g3tA1 ILE 374 HA 0.12 0.34 1.26 -0.75 4.18 5.15 3g3tA1 ILE 374 HB 0.21 -0.02 0.05 -0.04 1.89 2.09 3g3tA1 ILE 374 HG12 0.06 0.04 -0.04 -0.04 1.49 1.52 3g3tA1 ILE 374 HG13 0.12 -0.11 -0.48 -0.04 1.21 0.70 3g3tA1 ILE 374 HG23 0.13 -0.01 -0.17 -0.04 0.93 0.84 3g3tA1 ILE 374 HD13 0.14 -0.00 -0.12 -0.04 0.88 0.85 3g3tA1 SER 375 H 0.13 0.55 0.44 -0.55 8.46 9.04 3g3tA1 SER 375 HA 0.20 0.29 0.93 -0.75 4.49 5.16 3g3tA1 SER 375 HB2 0.08 -0.01 0.06 -0.04 3.95 4.04 3g3tA1 SER 375 HB3 0.08 -0.01 0.05 -0.04 3.93 4.01 3g3tA1 LEU 376 H 0.16 0.64 0.36 -0.55 8.37 8.99 3g3tA1 LEU 376 HA 0.11 0.27 1.04 -0.75 4.35 5.02 3g3tA1 LEU 376 HB2 0.23 0.02 -0.09 -0.04 1.64 1.75 3g3tA1 LEU 376 HB3 0.26 -0.05 0.14 -0.04 1.64 1.95 3g3tA1 LEU 376 HG 0.08 -0.04 -0.29 -0.04 1.64 1.34 3g3tA1 LEU 376 HD13 0.07 0.04 -0.13 -0.04 0.93 0.87 3g3tA1 LEU 376 HD23 0.10 -0.01 -0.09 -0.04 0.89 0.84 3g3tA1 ASP 377 H 0.04 0.79 0.37 -0.55 8.40 9.06 3g3tA1 ASP 377 HA 0.08 0.35 1.12 -0.75 4.63 5.43 3g3tA1 ASP 377 HB2 -0.11 -0.06 0.26 -0.04 2.71 2.76 3g3tA1 ASP 377 HB3 -0.23 0.01 0.04 -0.04 2.70 2.48 3g3tA1 THR 378 H -0.02 0.66 0.42 -0.55 8.28 8.79 3g3tA1 THR 378 HA -0.06 0.14 0.98 -0.75 4.39 4.70 3g3tA1 THR 378 HB -0.14 -0.06 0.13 -0.04 4.32 4.22 3g3tA1 THR 378 HG23 -0.01 0.01 -0.22 -0.04 1.22 0.96 3g3tA1 GLU 379 H -0.21 0.17 0.18 -0.55 8.60 8.20 3g3tA1 GLU 379 HA -0.41 0.08 0.32 -0.75 4.29 3.53 3g3tA1 GLU 379 HB2 -0.51 0.07 -0.12 -0.04 2.09 1.48 3g3tA1 GLU 379 HB3 -1.43 0.00 0.16 -0.04 1.99 0.68 3g3tA1 GLU 379 HG2 -1.67 0.02 -0.06 -0.04 2.34 0.59 3g3tA1 GLU 379 HG3 -2.54 0.04 0.01 -0.04 2.34 -0.18 3g3tA1 LEU 380 H 0.00 0.03 -0.18 -0.55 8.37 7.68 3g3tA1 LEU 380 HA 0.09 0.25 0.62 -0.75 4.35 4.55 3g3tA1 LEU 380 HB2 0.05 0.08 0.20 -0.04 1.64 1.93 3g3tA1 LEU 380 HB3 -0.10 -0.04 0.01 -0.04 1.64 1.46 3g3tA1 LEU 380 HG -0.24 0.01 0.01 -0.04 1.64 1.38 3g3tA1 LEU 380 HD13 -0.11 0.01 -0.15 -0.04 0.93 0.64 3g3tA1 LEU 380 HD23 -0.40 0.01 -0.05 -0.04 0.89 0.41 3g3tA1 THR 381 H 0.28 0.53 0.52 -0.55 8.28 9.06 3g3tA1 THR 381 HA 0.32 0.24 1.14 -0.75 4.39 5.34 3g3tA1 THR 381 HB 0.65 -0.09 0.05 -0.04 4.32 4.88 3g3tA1 THR 381 HG23 0.38 -0.01 -0.15 -0.04 1.22 1.40 3g3tA1 MET 382 H 0.22 0.64 0.43 -0.55 8.47 9.21 3g3tA1 MET 382 HA 0.16 0.00 1.14 -0.75 4.52 5.07 3g3tA1 MET 382 HB2 0.16 0.00 0.18 -0.04 2.15 2.44 3g3tA1 MET 382 HB3 0.11 0.00 0.12 -0.04 2.03 2.22 3g3tA1 MET 382 HG2 0.15 0.00 0.02 -0.04 2.63 2.76 3g3tA1 MET 382 HG3 0.15 0.00 0.05 -0.04 2.56 2.72 3g3tA1 MET 382 HE3 0.01 -0.01 -0.06 -0.04 2.10 2.01 3g3tA1 VAL 383 H 0.06 0.54 0.37 -0.55 8.24 8.66 3g3tA1 VAL 383 HA -0.01 0.42 1.19 -0.75 4.13 4.98 3g3tA1 VAL 383 HB -0.13 -0.10 0.03 -0.04 2.12 1.88 3g3tA1 VAL 383 HG13 -0.16 0.06 -0.08 -0.04 0.97 0.75 3g3tA1 VAL 383 HG23 -0.23 -0.01 -0.30 -0.04 0.95 0.37 3g3tA1 ARG 384 H -0.04 0.62 0.34 -0.55 8.46 8.83 3g3tA1 ARG 384 HA -0.05 0.07 0.65 -0.75 4.34 4.26 3g3tA1 ARG 384 HB2 -0.07 -0.01 0.21 -0.04 1.90 1.99 3g3tA1 ARG 384 HB3 -0.10 -0.10 0.08 -0.04 1.80 1.64 3g3tA1 ARG 384 HG2 -0.04 -0.03 0.07 -0.04 1.67 1.62 3g3tA1 ARG 384 HG3 -0.03 0.13 0.13 -0.04 1.67 1.86 3g3tA1 ARG 384 HD2 -0.03 0.20 0.06 -0.04 3.22 3.41 3g3tA1 ARG 384 HD3 -0.04 -0.04 0.05 -0.04 3.22 3.15 3g3tA1 GLU 385 H -0.12 0.62 0.24 -0.55 8.60 8.80 3g3tA1 GLU 385 HA -0.14 0.17 0.80 -0.75 4.29 4.38 3g3tA1 GLU 385 HB2 -0.13 -0.12 -0.56 -0.04 2.09 1.23 3g3tA1 GLU 385 HB3 -0.16 -0.01 -0.11 -0.04 1.99 1.68 3g3tA1 GLU 385 HG2 -0.07 0.10 -0.52 -0.04 2.34 1.81 3g3tA1 GLU 385 HG3 -0.04 -0.05 -0.29 -0.04 2.34 1.92 3g3tA1 ASP 386 H -0.24 0.01 0.15 -0.55 8.40 7.78 3g3tA1 ASP 386 HA -0.42 0.41 0.48 -0.75 4.63 4.35 3g3tA1 ASP 386 HB2 -1.75 -0.10 0.23 -0.04 2.71 1.04 3g3tA1 ASP 386 HB3 -0.65 0.06 0.26 -0.04 2.70 2.33 3g3tA1 ASN 387 H -0.53 0.18 0.17 -0.55 8.53 7.80 3g3tA1 ASN 387 HA -0.14 0.47 0.93 -0.75 4.76 5.26 3g3tA1 ASN 387 HB2 -0.06 -0.00 0.04 -0.04 2.88 2.82 3g3tA1 ASN 387 HB3 -0.12 -0.05 0.01 -0.04 2.79 2.58 3g3tA1 ASN 387 HD21 0.04 0.05 -0.01 -0.04 7.03 7.07 3g3tA1 ASN 387 HD22 -0.01 -0.02 -0.00 -0.04 7.74 7.67 3g3tA1 PHE 388 H -0.27 0.14 -0.02 -0.55 8.34 7.64 3g3tA1 PHE 388 HA -0.02 0.12 0.17 -0.75 4.62 4.14 3g3tA1 PHE 388 HB2 -0.03 0.01 0.06 -0.04 3.15 3.15 3g3tA1 PHE 388 HB3 -0.02 0.10 0.09 -0.04 3.06 3.19 3g3tA1 PHE 388 HD2 -0.03 0.03 -0.02 -0.04 7.28 7.22 3g3tA1 PHE 388 HE2 -0.01 0.01 -0.05 -0.04 7.38 7.28 3g3tA1 PHE 388 HZ 0.02 0.03 -0.27 -0.04 7.32 7.05 3g3tA1 ASP 389 H 0.04 0.03 -0.29 -0.55 8.40 7.63 3g3tA1 ASP 389 HA 0.05 0.26 0.79 -0.75 4.63 4.97 3g3tA1 ASP 389 HB2 0.01 0.06 0.15 -0.04 2.71 2.89 3g3tA1 ASP 389 HB3 0.03 0.03 0.01 -0.04 2.70 2.74 3g3tA1 GLY 390 H 0.04 0.41 -0.36 -0.55 8.43 7.97 3g3tA1 GLY 390 HA2 0.01 0.05 0.27 -0.51 4.01 3.83 3g3tA1 GLY 390 HA3 0.01 0.14 0.54 -0.51 4.01 4.19 3g3tA1 VAL 391 H -0.02 -0.04 -0.45 -0.55 8.24 7.17 3g3tA1 VAL 391 HA -0.03 0.18 0.80 -0.75 4.13 4.32 3g3tA1 VAL 391 HB -0.05 -0.07 0.03 -0.04 2.12 1.99 3g3tA1 VAL 391 HG13 -0.05 0.00 -0.22 -0.04 0.97 0.66 3g3tA1 VAL 391 HG23 -0.02 0.04 -0.11 -0.04 0.95 0.82 3g3tA1 ASP 392 H -0.07 0.23 0.07 -0.55 8.40 8.08 3g3tA1 ASP 392 HA -0.16 0.07 0.55 -0.75 4.63 4.34 3g3tA1 ASP 392 HB2 -0.08 0.09 0.08 -0.04 2.71 2.76 3g3tA1 ASP 392 HB3 -0.18 0.05 0.21 -0.04 2.70 2.74 3g3tA1 ARG 393 H -0.19 0.40 0.15 -0.55 8.46 8.27 3g3tA1 ARG 393 HA -0.17 0.07 0.30 -0.75 4.34 3.78 3g3tA1 ARG 393 HB2 -0.17 0.18 -0.12 -0.04 1.90 1.75 3g3tA1 ARG 393 HB3 -0.14 -0.04 -0.03 -0.04 1.80 1.55 3g3tA1 ARG 393 HG2 -0.10 -0.07 -0.08 -0.04 1.67 1.37 3g3tA1 ARG 393 HG3 -0.13 0.08 -0.09 -0.04 1.67 1.49 3g3tA1 ARG 393 HD2 -0.15 0.08 -0.19 -0.04 3.22 2.92 3g3tA1 ARG 393 HD3 -0.11 0.17 -0.27 -0.04 3.22 2.96 3g3tA1 THR 394 H -0.25 -0.01 -0.16 -0.55 8.28 7.31 3g3tA1 THR 394 HA -0.12 0.16 0.60 -0.75 4.39 4.27 3g3tA1 THR 394 HB -0.08 0.15 -0.15 -0.04 4.32 4.20 3g3tA1 THR 394 HG23 -0.15 0.01 -0.21 -0.04 1.22 0.83 3g3tA1 HIS 395 H -0.40 0.02 -0.14 -0.55 8.41 7.34 3g3tA1 HIS 395 HA -0.02 0.02 0.30 -0.75 4.63 4.18 3g3tA1 HIS 395 HB2 -0.04 0.13 0.01 -0.04 3.26 3.33 3g3tA1 HIS 395 HB3 -0.02 0.01 0.15 -0.04 3.20 3.30 3g3tA1 HIS 395 HD2 -0.05 -0.00 -0.25 -0.04 6.97 6.62 3g3tA1 HIS 395 HE1 -0.02 -0.03 0.03 -0.04 7.75 7.67 3g3tA1 LYS 396 H -0.01 0.03 -0.18 -0.55 8.42 7.71 3g3tA1 LYS 396 HA 0.04 0.01 0.25 -0.75 4.32 3.87 3g3tA1 LYS 396 HB2 0.06 0.29 0.05 -0.04 1.87 2.23 3g3tA1 LYS 396 HB3 0.06 -0.03 0.10 -0.04 1.79 1.88 3g3tA1 LYS 396 HG2 0.04 0.00 -0.05 -0.04 1.46 1.41 3g3tA1 LYS 396 HG3 0.05 -0.11 -0.37 -0.04 1.46 1.00 3g3tA1 LYS 396 HD2 0.04 0.02 -0.08 -0.04 1.69 1.63 3g3tA1 LYS 396 HD3 0.04 0.01 -0.03 -0.04 1.68 1.65 3g3tA1 LYS 396 HE2 0.03 0.01 -0.03 -0.04 2.99 2.96 3g3tA1 LYS 396 HE3 0.03 -0.02 -0.05 -0.04 2.99 2.91 3g3tA1 ASN 397 H 0.02 0.38 -0.70 -0.55 8.53 7.68 3g3tA1 ASN 397 HA 0.11 0.06 0.62 -0.75 4.76 4.79 3g3tA1 ASN 397 HB2 -0.01 0.10 0.07 -0.04 2.88 3.00 3g3tA1 ASN 397 HB3 -0.10 0.15 0.03 -0.04 2.79 2.83 3g3tA1 ASN 397 HD21 -0.43 -0.06 0.01 -0.04 7.03 6.51 3g3tA1 ASN 397 HD22 -0.35 0.51 0.07 -0.04 7.74 7.92 3g3tA1 TRP 398 H 0.33 0.09 0.12 -0.55 7.97 7.96 3g3tA1 TRP 398 HA 0.15 0.15 0.48 -0.75 4.62 4.65 3g3tA1 TRP 398 HB2 0.31 0.00 0.06 -0.04 3.23 3.56 3g3tA1 TRP 398 HB3 0.15 -0.01 0.01 -0.04 3.23 3.34 3g3tA1 TRP 398 HD1 0.01 -0.05 0.07 -0.04 7.22 7.21 3g3tA1 TRP 398 HE1 -0.10 0.02 0.00 -0.04 10.20 10.08 3g3tA1 TRP 398 HE3 0.25 -0.01 -0.10 -0.04 7.59 7.68 3g3tA1 TRP 398 HZ2 -0.29 0.01 -0.08 -0.04 7.44 7.03 3g3tA1 TRP 398 HZ3 0.35 0.05 -0.13 -0.04 7.13 7.36 3g3tA1 TRP 398 HH2 -0.01 0.02 -0.18 -0.04 7.19 6.98 3g3tA1 ARG 399 H -0.45 0.20 -0.31 -0.55 8.46 7.35 3g3tA1 ARG 399 HA -0.22 0.07 0.50 -0.75 4.34 3.94 3g3tA1 ARG 399 HB2 -0.37 0.05 0.02 -0.04 1.90 1.56 3g3tA1 ARG 399 HB3 -0.93 0.03 -0.18 -0.04 1.80 0.68 3g3tA1 ARG 399 HG2 -1.92 -0.16 -0.11 -0.04 1.67 -0.57 3g3tA1 ARG 399 HG3 -0.71 0.12 -0.26 -0.04 1.67 0.78 3g3tA1 ARG 399 HD2 -0.77 0.08 -0.09 -0.04 3.22 2.40 3g3tA1 ARG 399 HD3 -1.95 -0.03 -0.13 -0.04 3.22 1.07 3g3tA1 ARG 400 H -0.17 0.09 0.05 -0.55 8.46 7.88 3g3tA1 ARG 400 HA -0.13 0.15 0.62 -0.75 4.34 4.23 3g3tA1 ARG 400 HB2 -0.09 -0.01 0.15 -0.04 1.90 1.90 3g3tA1 ARG 400 HB3 -0.13 0.04 -0.01 -0.04 1.80 1.66 3g3tA1 ARG 400 HG2 -0.13 -0.05 0.04 -0.04 1.67 1.49 3g3tA1 ARG 400 HG3 -0.12 -0.11 -0.13 -0.04 1.67 1.26 3g3tA1 ARG 400 HD2 -0.12 0.12 0.07 -0.04 3.22 3.24 3g3tA1 ARG 400 HD3 -0.14 -0.01 -0.05 -0.04 3.22 2.97 3g3tA1 THR 401 H -0.07 0.18 0.20 -0.55 8.28 8.04 3g3tA1 THR 401 HA -0.12 0.33 0.97 -0.75 4.39 4.82 3g3tA1 THR 401 HB -0.09 -0.02 0.17 -0.04 4.32 4.33 3g3tA1 THR 401 HG23 -0.19 0.04 -0.11 -0.04 1.22 0.93 3g3tA1 ASP 402 H -0.05 0.08 0.01 -0.55 8.40 7.88 3g3tA1 ASP 402 HA -0.02 0.18 0.74 -0.75 4.63 4.78 3g3tA1 ASP 402 HB2 -0.01 0.01 0.10 -0.04 2.71 2.77 3g3tA1 ASP 402 HB3 -0.01 0.03 0.07 -0.04 2.70 2.75 3g3tA1 ILE 403 H -0.05 0.17 -0.29 -0.55 8.25 7.53 3g3tA1 ILE 403 HA 0.06 0.14 0.56 -0.75 4.18 4.18 3g3tA1 ILE 403 HB 0.07 -0.07 -0.10 -0.04 1.89 1.75 3g3tA1 ILE 403 HG12 -0.15 -0.09 -0.17 -0.04 1.49 1.04 3g3tA1 ILE 403 HG13 -0.11 0.11 -0.23 -0.04 1.21 0.94 3g3tA1 ILE 403 HG23 0.00 -0.00 -0.18 -0.04 0.93 0.70 3g3tA1 ILE 403 HD13 -0.60 0.01 -0.16 -0.04 0.88 0.09 3g3tA1 GLY 404 H 0.17 -0.03 -0.05 -0.55 8.43 7.97 3g3tA1 GLY 404 HA2 0.14 0.32 0.79 -0.51 4.01 4.75 3g3tA1 GLY 404 HA3 0.13 -0.07 0.37 -0.51 4.01 3.92 3g3tA1 VAL 405 H 0.18 0.11 0.08 -0.55 8.24 8.07 3g3tA1 VAL 405 HA 0.18 0.30 0.77 -0.75 4.13 4.63 3g3tA1 VAL 405 HB 0.35 0.02 0.17 -0.04 2.12 2.63 3g3tA1 VAL 405 HG13 0.38 0.07 -0.16 -0.04 0.97 1.22 3g3tA1 VAL 405 HG23 0.19 -0.03 -0.02 -0.04 0.95 1.06 3g3tA1 ASP 406 H 0.16 -0.01 -0.23 -0.55 8.40 7.77 3g3tA1 ASP 406 HA -0.05 0.20 0.47 -0.75 4.63 4.50 3g3tA1 ASP 406 HB2 -0.05 0.08 0.13 -0.04 2.71 2.83 3g3tA1 ASP 406 HB3 0.02 0.01 0.06 -0.04 2.70 2.75 3g3tA1 TRP 407 H -0.39 0.49 -0.16 -0.55 7.97 7.36 3g3tA1 TRP 407 HA -1.73 -0.01 0.38 -0.75 4.62 2.51 3g3tA1 TRP 407 HB2 -0.97 0.05 0.01 -0.04 3.23 2.28 3g3tA1 TRP 407 HB3 -0.25 0.01 0.05 -0.04 3.23 3.01 3g3tA1 TRP 407 HD1 0.06 0.02 -0.06 -0.04 7.22 7.20 3g3tA1 TRP 407 HE1 0.13 0.05 -0.11 -0.04 10.20 10.23 3g3tA1 TRP 407 HE3 -0.08 -0.03 -0.35 -0.04 7.59 7.10 3g3tA1 TRP 407 HZ2 0.04 0.03 -0.02 -0.04 7.44 7.45 3g3tA1 TRP 407 HZ3 -0.01 -0.01 -0.07 -0.04 7.13 6.99 3g3tA1 TRP 407 HH2 0.01 -0.00 -0.03 -0.04 7.19 7.13 3g3tA1 PRO 408 HA -1.82 0.06 0.25 -0.51 4.44 2.42 3g3tA1 PRO 408 HB2 -0.81 0.07 0.11 -0.04 2.28 1.61 3g3tA1 PRO 408 HB3 -2.43 0.03 0.05 -0.04 2.02 -0.37 3g3tA1 PRO 408 HG2 -0.50 0.00 -0.07 -0.04 2.03 1.43 3g3tA1 PRO 408 HG3 -0.72 0.05 0.04 -0.04 2.03 1.35 3g3tA1 PRO 408 HD2 -0.39 0.04 0.14 -0.04 3.68 3.43 3g3tA1 PRO 408 HD3 -0.58 0.13 0.27 -0.04 3.65 3.43 3g3tA1 PHE 409 H -0.66 0.58 0.22 -0.55 8.34 7.93 3g3tA1 PHE 409 HA -0.12 0.02 0.29 -0.75 4.62 4.05 3g3tA1 PHE 409 HB2 -0.13 0.21 -0.09 -0.04 3.15 3.10 3g3tA1 PHE 409 HB3 -0.09 -0.04 0.02 -0.04 3.06 2.91 3g3tA1 PHE 409 HD2 -0.09 0.03 -0.28 -0.04 7.28 6.90 3g3tA1 PHE 409 HE2 -0.10 -0.02 -0.36 -0.04 7.38 6.87 3g3tA1 PHE 409 HZ -0.98 0.05 -0.19 -0.04 7.32 6.16 3g3tA1 LYS 410 H -0.14 0.12 -0.07 -0.55 8.42 7.79 3g3tA1 LYS 410 HA -0.09 0.16 0.20 -0.75 4.32 3.84 3g3tA1 LYS 410 HB2 -0.14 0.00 0.02 -0.04 1.87 1.71 3g3tA1 LYS 410 HB3 -0.09 -0.04 0.03 -0.04 1.79 1.66 3g3tA1 LYS 410 HG2 -0.07 -0.02 -0.02 -0.04 1.46 1.31 3g3tA1 LYS 410 HG3 -0.05 0.03 -0.13 -0.04 1.46 1.27 3g3tA1 LYS 410 HD2 -0.06 0.05 0.10 -0.04 1.69 1.74 3g3tA1 LYS 410 HD3 -0.10 -0.01 0.02 -0.04 1.68 1.55 3g3tA1 LYS 410 HE2 -0.05 0.00 0.02 -0.04 2.99 2.92 3g3tA1 LYS 410 HE3 -0.06 -0.01 0.00 -0.04 2.99 2.88 3g3tA1 GLN 411 H -0.00 -0.03 -0.46 -0.55 8.47 7.43 3g3tA1 GLN 411 HA -0.02 0.11 0.39 -0.75 4.36 4.09 3g3tA1 GLN 411 HB2 -0.01 0.01 0.09 -0.04 2.15 2.21 3g3tA1 GLN 411 HB3 -0.01 -0.06 0.04 -0.04 2.02 1.96 3g3tA1 GLN 411 HG2 0.02 0.03 -0.26 -0.04 2.40 2.14 3g3tA1 GLN 411 HG3 0.01 0.14 -0.02 -0.04 2.39 2.48 3g3tA1 GLN 411 HE21 0.07 -0.18 0.04 -0.04 6.97 6.87 3g3tA1 GLN 411 HE22 0.04 0.42 0.15 -0.04 7.69 8.26 3g3tA1 LEU 412 H 0.01 0.41 -0.38 -0.55 8.37 7.86 3g3tA1 LEU 412 HA -0.02 0.08 0.61 -0.75 4.35 4.27 3g3tA1 LEU 412 HB2 0.00 0.15 -0.05 -0.04 1.64 1.70 3g3tA1 LEU 412 HB3 -0.03 -0.03 0.01 -0.04 1.64 1.55 3g3tA1 LEU 412 HG 0.02 -0.06 -0.09 -0.04 1.64 1.47 3g3tA1 LEU 412 HD13 -0.13 -0.00 -0.09 -0.04 0.93 0.67 3g3tA1 LEU 412 HD23 -0.03 -0.01 -0.24 -0.04 0.89 0.57 3g3tA1 ASP 413 H -0.02 0.10 0.13 -0.55 8.40 8.05 3g3tA1 ASP 413 HA -0.02 0.08 0.58 -0.75 4.63 4.52 3g3tA1 ASP 413 HB2 -0.02 0.08 0.15 -0.04 2.71 2.88 3g3tA1 ASP 413 HB3 -0.03 -0.02 0.17 -0.04 2.70 2.78 3g3tA1 ASP 414 H -0.02 0.17 0.21 -0.55 8.40 8.21 3g3tA1 ASP 414 HA -0.01 0.15 0.18 -0.75 4.63 4.19 3g3tA1 ASP 414 HB2 -0.02 0.03 0.14 -0.04 2.71 2.81 3g3tA1 ASP 414 HB3 -0.03 0.10 0.11 -0.04 2.70 2.84 3g3tA1 LYS 415 H -0.01 0.01 -0.30 -0.55 8.42 7.56 3g3tA1 LYS 415 HA -0.01 0.17 0.58 -0.75 4.32 4.31 3g3tA1 LYS 415 HB2 -0.01 -0.05 0.01 -0.04 1.87 1.78 3g3tA1 LYS 415 HB3 -0.01 0.05 0.10 -0.04 1.79 1.88 3g3tA1 LYS 415 HG2 -0.01 0.06 0.05 -0.04 1.46 1.52 3g3tA1 LYS 415 HG3 -0.01 -0.07 0.03 -0.04 1.46 1.36 3g3tA1 LYS 415 HD2 -0.01 -0.03 0.02 -0.04 1.69 1.63 3g3tA1 LYS 415 HD3 -0.01 0.02 0.02 -0.04 1.68 1.67 3g3tA1 LYS 415 HE2 -0.01 0.00 0.02 -0.04 2.99 2.96 3g3tA1 LYS 415 HE3 -0.01 -0.00 0.02 -0.04 2.99 2.95 3g3tA1 ASP 416 H -0.02 0.59 -0.33 -0.55 8.40 8.09 3g3tA1 ASP 416 HA -0.03 0.09 0.68 -0.75 4.63 4.62 3g3tA1 ASP 416 HB2 -0.03 0.25 0.12 -0.04 2.71 3.00 3g3tA1 ASP 416 HB3 -0.05 -0.11 0.16 -0.04 2.70 2.66 3g3tA1 ILE 417 H 0.00 0.46 -0.40 -0.55 8.25 7.77 3g3tA1 ILE 417 HA 0.04 0.25 1.15 -0.75 4.18 4.86 3g3tA1 ILE 417 HB 0.02 0.07 0.08 -0.04 1.89 2.03 3g3tA1 ILE 417 HG12 0.02 -0.03 -0.15 -0.04 1.49 1.29 3g3tA1 ILE 417 HG13 -0.01 -0.15 -0.43 -0.04 1.21 0.58 3g3tA1 ILE 417 HG23 0.11 -0.02 -0.21 -0.04 0.93 0.77 3g3tA1 ILE 417 HD13 0.03 0.01 -0.11 -0.04 0.88 0.78 3g3tA1 CYS 418 H 0.11 0.65 0.33 -0.55 8.50 9.04 3g3tA1 CYS 418 HA 0.09 0.20 0.88 -0.75 4.58 4.99 3g3tA1 CYS 418 HB2 0.08 0.07 -0.02 -0.04 2.97 3.06 3g3tA1 CYS 418 HB3 0.15 -0.13 0.19 -0.04 2.97 3.14 3g3tA1 ARG 419 H 0.10 0.23 0.06 -0.55 8.46 8.30 3g3tA1 ARG 419 HA 0.26 0.14 0.89 -0.75 4.34 4.88 3g3tA1 ARG 419 HB2 0.08 -0.01 0.13 -0.04 1.90 2.06 3g3tA1 ARG 419 HB3 0.20 0.03 0.04 -0.04 1.80 2.03 3g3tA1 ARG 419 HG2 0.09 -0.05 -0.13 -0.04 1.67 1.54 3g3tA1 ARG 419 HG3 0.03 0.01 0.00 -0.04 1.67 1.68 3g3tA1 ARG 419 HD2 0.23 0.01 -0.06 -0.04 3.22 3.36 3g3tA1 ARG 419 HD3 -0.06 0.06 -0.05 -0.04 3.22 3.14 3g3tA1 PHE 420 H 0.32 0.60 0.27 -0.55 8.34 8.97 3g3tA1 PHE 420 HA -0.05 0.08 0.38 -0.75 4.62 4.28 3g3tA1 PHE 420 HB2 0.00 -0.01 -0.02 -0.04 3.15 3.08 3g3tA1 PHE 420 HB3 -0.10 0.02 0.13 -0.04 3.06 3.07 3g3tA1 PHE 420 HD2 -0.25 0.08 -0.06 -0.04 7.28 7.00 3g3tA1 PHE 420 HE2 -1.39 -0.01 -0.09 -0.04 7.38 5.84 3g3tA1 PHE 420 HZ -1.46 -0.00 -0.09 -0.04 7.32 5.73 3g3tA1 PRO 421 HA -0.29 0.12 0.45 -0.51 4.44 4.21 3g3tA1 PRO 421 HB2 -0.80 -0.01 0.19 -0.04 2.28 1.62 3g3tA1 PRO 421 HB3 -0.37 0.04 0.13 -0.04 2.02 1.77 3g3tA1 PRO 421 HG2 -1.13 0.02 -0.01 -0.04 2.03 0.87 3g3tA1 PRO 421 HG3 -0.49 0.04 0.07 -0.04 2.03 1.62 3g3tA1 PRO 421 HD2 -1.93 0.05 0.14 -0.04 3.68 1.90 3g3tA1 PRO 421 HD3 -0.53 0.17 0.22 -0.04 3.65 3.47 3g3tA1 TYR 422 H -0.25 0.20 -0.47 -0.55 8.29 7.22 3g3tA1 TYR 422 HA -0.12 0.22 0.84 -0.75 4.56 4.75 3g3tA1 TYR 422 HB2 -0.79 -0.07 -0.08 -0.04 3.06 2.07 3g3tA1 TYR 422 HB3 -0.32 -0.00 0.12 -0.04 2.98 2.73 3g3tA1 TYR 422 HD2 -0.86 -0.02 -0.17 -0.04 7.15 6.06 3g3tA1 TYR 422 HE2 -0.17 -0.02 -0.07 -0.04 6.85 6.55 3g3tA1 ALA 423 H 0.08 0.59 0.29 -0.55 8.40 8.82 3g3tA1 ALA 423 HA 0.00 0.13 0.95 -0.75 4.34 4.67 3g3tA1 ALA 423 HB3 0.03 0.02 0.12 -0.04 1.41 1.54 3g3tA1 VAL 424 H 0.01 0.60 0.36 -0.55 8.24 8.66 3g3tA1 VAL 424 HA 0.23 0.35 1.22 -0.75 4.13 5.18 3g3tA1 VAL 424 HB -0.01 -0.09 0.13 -0.04 2.12 2.11 3g3tA1 VAL 424 HG13 0.16 0.01 -0.16 -0.04 0.97 0.93 3g3tA1 VAL 424 HG23 0.07 0.00 -0.20 -0.04 0.95 0.78 3g3tA1 LEU 425 H 0.19 0.68 0.34 -0.55 8.37 9.03 3g3tA1 LEU 425 HA 0.11 0.22 1.02 -0.75 4.35 4.95 3g3tA1 LEU 425 HB2 0.07 -0.02 -0.03 -0.04 1.64 1.61 3g3tA1 LEU 425 HB3 0.17 -0.04 0.08 -0.04 1.64 1.81 3g3tA1 LEU 425 HG 0.09 0.01 -0.31 -0.04 1.64 1.38 3g3tA1 LEU 425 HD13 0.04 0.04 -0.04 -0.04 0.93 0.93 3g3tA1 LEU 425 HD23 -0.18 -0.01 -0.17 -0.04 0.89 0.49 3g3tA1 GLU 426 H 0.12 0.72 0.39 -0.55 8.60 9.28 3g3tA1 GLU 426 HA 0.12 0.33 1.18 -0.75 4.29 5.17 3g3tA1 GLU 426 HB2 0.06 -0.03 -0.07 -0.04 2.09 2.02 3g3tA1 GLU 426 HB3 0.08 -0.09 0.15 -0.04 1.99 2.08 3g3tA1 GLU 426 HG2 0.05 0.01 -0.33 -0.04 2.34 2.02 3g3tA1 GLU 426 HG3 0.03 0.04 -0.11 -0.04 2.34 2.26 3g3tA1 VAL 427 H 0.15 0.66 0.33 -0.55 8.24 8.83 3g3tA1 VAL 427 HA 0.06 0.24 1.08 -0.75 4.13 4.76 3g3tA1 VAL 427 HB 0.17 -0.02 0.10 -0.04 2.12 2.33 3g3tA1 VAL 427 HG13 -0.05 -0.01 -0.19 -0.04 0.97 0.68 3g3tA1 VAL 427 HG23 -0.01 0.00 -0.19 -0.04 0.95 0.72 3g3tA1 LYS 428 H 0.04 0.79 0.40 -0.55 8.42 9.09 3g3tA1 LYS 428 HA 0.01 0.25 1.24 -0.75 4.32 5.07 3g3tA1 LYS 428 HB2 0.02 -0.01 0.16 -0.04 1.87 1.99 3g3tA1 LYS 428 HB3 0.01 0.05 0.05 -0.04 1.79 1.85 3g3tA1 LYS 428 HG2 0.02 -0.03 -0.14 -0.04 1.46 1.26 3g3tA1 LYS 428 HG3 0.03 0.00 -0.14 -0.04 1.46 1.31 3g3tA1 LYS 428 HD2 0.02 0.05 -0.03 -0.04 1.69 1.68 3g3tA1 LYS 428 HD3 0.02 -0.05 -0.05 -0.04 1.68 1.55 3g3tA1 LYS 428 HE2 0.03 -0.01 -0.10 -0.04 2.99 2.86 3g3tA1 LYS 428 HE3 0.02 0.02 -0.07 -0.04 2.99 2.92 3g3tA1 LEU 429 H -0.00 0.66 0.41 -0.55 8.37 8.89 3g3tA1 LEU 429 HA -0.04 0.35 1.05 -0.75 4.35 4.95 3g3tA1 LEU 429 HB2 -0.02 -0.08 0.11 -0.04 1.64 1.61 3g3tA1 LEU 429 HB3 -0.04 0.04 0.02 -0.04 1.64 1.62 3g3tA1 LEU 429 HG -0.04 -0.04 -0.20 -0.04 1.64 1.32 3g3tA1 LEU 429 HD13 -0.06 -0.01 -0.08 -0.04 0.93 0.74 3g3tA1 LEU 429 HD23 -0.12 0.01 -0.05 -0.04 0.89 0.68 3g3tA1 GLN 430 H -0.08 0.54 0.26 -0.55 8.47 8.65 3g3tA1 GLN 430 HA -0.01 0.21 0.56 -0.75 4.36 4.37 3g3tA1 GLN 430 HB2 -0.29 0.04 -0.03 -0.04 2.15 1.82 3g3tA1 GLN 430 HB3 -0.81 -0.04 -0.09 -0.04 2.02 1.03 3g3tA1 GLN 430 HG2 -0.14 0.01 -0.03 -0.04 2.40 2.21 3g3tA1 GLN 430 HG3 -0.14 0.02 -0.29 -0.04 2.39 1.94 3g3tA1 GLN 430 HE21 -0.12 -0.05 -0.07 -0.04 6.97 6.69 3g3tA1 GLN 430 HE22 -0.08 0.00 -0.10 -0.04 7.69 7.47 3g3tA1 THR 431 H 0.09 0.75 0.13 -0.55 8.28 8.70 3g3tA1 THR 431 HA -0.00 0.14 0.86 -0.75 4.39 4.63 3g3tA1 THR 431 HB 0.03 -0.01 0.02 -0.04 4.32 4.31 3g3tA1 THR 431 HG23 -0.00 0.03 -0.39 -0.04 1.22 0.82 3g3tA1 GLN 432 H 0.04 0.17 0.08 -0.55 8.47 8.21 3g3tA1 GLN 432 HA 0.14 0.10 0.50 -0.75 4.36 4.34 3g3tA1 GLN 432 HB2 0.04 -0.05 0.13 -0.04 2.15 2.22 3g3tA1 GLN 432 HB3 0.05 0.07 -0.11 -0.04 2.02 1.98 3g3tA1 GLN 432 HG2 0.13 0.08 0.02 -0.04 2.40 2.58 3g3tA1 GLN 432 HG3 0.05 -0.02 0.03 -0.04 2.39 2.41 3g3tA1 GLN 432 HE21 0.05 -0.01 -0.01 -0.04 6.97 6.96 3g3tA1 GLN 432 HE22 0.10 0.03 -0.01 -0.04 7.69 7.77 3g3tA1 LEU 433 H 0.06 0.20 0.26 -0.55 8.37 8.34 3g3tA1 LEU 433 HA 0.02 0.03 0.74 -0.75 4.35 4.38 3g3tA1 LEU 433 HB2 0.02 0.02 0.12 -0.04 1.64 1.76 3g3tA1 LEU 433 HB3 0.01 0.02 0.18 -0.04 1.64 1.82 3g3tA1 LEU 433 HG 0.00 -0.00 0.01 -0.04 1.64 1.61 3g3tA1 LEU 433 HD13 -0.00 -0.00 -0.00 -0.04 0.93 0.88 3g3tA1 LEU 433 HD23 -0.00 -0.00 -0.17 -0.04 0.89 0.67 3g3tA1 GLY 434 H 0.01 0.10 -0.04 -0.55 8.43 7.96 3g3tA1 GLY 434 HA2 0.01 0.05 0.55 -0.51 4.01 4.11 3g3tA1 GLY 434 HA3 0.01 0.03 0.32 -0.51 4.01 3.85 3g3tA1 GLN 435 H 0.02 1.13 0.38 -0.55 8.47 9.45 3g3tA1 GLN 435 HA 0.00 0.14 0.87 -0.75 4.36 4.62 3g3tA1 GLN 435 HB2 0.01 0.01 0.07 -0.04 2.15 2.20 3g3tA1 GLN 435 HB3 0.00 -0.09 0.19 -0.04 2.02 2.09 3g3tA1 GLN 435 HG2 0.01 0.02 -0.06 -0.04 2.40 2.33 3g3tA1 GLN 435 HG3 0.02 0.00 -0.18 -0.04 2.39 2.19 3g3tA1 GLN 435 HE21 0.01 -0.02 0.01 -0.04 6.97 6.93 3g3tA1 GLN 435 HE22 0.01 0.01 -0.01 -0.04 7.69 7.65 3g3tA1 GLU 436 H -0.01 0.11 0.14 -0.55 8.60 8.30 3g3tA1 GLU 436 HA -0.02 0.22 0.86 -0.75 4.29 4.59 3g3tA1 GLU 436 HB2 -0.02 -0.08 0.06 -0.04 2.09 2.00 3g3tA1 GLU 436 HB3 -0.04 0.16 0.02 -0.04 1.99 2.09 3g3tA1 GLU 436 HG2 -0.02 -0.02 -0.03 -0.04 2.34 2.22 3g3tA1 GLU 436 HG3 -0.02 0.04 -0.03 -0.04 2.34 2.29 3g3tA1 PRO 437 HA -0.09 0.12 0.59 -0.51 4.44 4.55 3g3tA1 PRO 437 HB2 -0.17 -0.01 -0.09 -0.04 2.28 1.97 3g3tA1 PRO 437 HB3 -0.16 0.03 0.04 -0.04 2.02 1.89 3g3tA1 PRO 437 HG2 -0.08 0.04 -0.01 -0.04 2.03 1.94 3g3tA1 PRO 437 HG3 -0.06 0.05 -0.02 -0.04 2.03 1.96 3g3tA1 PRO 437 HD2 -0.06 0.08 0.15 -0.04 3.68 3.81 3g3tA1 PRO 437 HD3 -0.04 0.19 0.10 -0.04 3.65 3.86 3g3tA1 PRO 438 HA -0.04 0.08 0.40 -0.51 4.44 4.38 3g3tA1 PRO 438 HB2 -0.72 -0.14 0.03 -0.04 2.28 1.41 3g3tA1 PRO 438 HB3 0.16 0.07 0.10 -0.04 2.02 2.31 3g3tA1 PRO 438 HG2 0.01 0.05 0.03 -0.04 2.03 2.09 3g3tA1 PRO 438 HG3 0.04 0.10 0.09 -0.04 2.03 2.22 3g3tA1 PRO 438 HD2 -0.24 0.09 0.12 -0.04 3.68 3.61 3g3tA1 PRO 438 HD3 -0.08 0.20 0.19 -0.04 3.65 3.92 3g3tA1 GLU 439 H -0.00 0.18 0.17 -0.55 8.60 8.41 3g3tA1 GLU 439 HA -0.08 0.13 0.35 -0.75 4.29 3.94 3g3tA1 GLU 439 HB2 0.01 0.07 0.13 -0.04 2.09 2.25 3g3tA1 GLU 439 HB3 0.06 -0.01 0.12 -0.04 1.99 2.11 3g3tA1 GLU 439 HG2 0.04 0.03 -0.04 -0.04 2.34 2.33 3g3tA1 GLU 439 HG3 0.03 -0.03 -0.26 -0.04 2.34 2.04 3g3tA1 TRP 440 H 0.09 0.09 -0.26 -0.55 7.97 7.35 3g3tA1 TRP 440 HA -0.12 0.10 0.33 -0.75 4.62 4.17 3g3tA1 TRP 440 HB2 -0.55 0.07 0.00 -0.04 3.23 2.72 3g3tA1 TRP 440 HB3 -0.28 0.02 0.04 -0.04 3.23 2.97 3g3tA1 TRP 440 HD1 -0.14 -0.05 -0.01 -0.04 7.22 6.98 3g3tA1 TRP 440 HE1 -0.07 0.03 -0.03 -0.04 10.20 10.09 3g3tA1 TRP 440 HE3 -0.33 -0.03 -0.33 -0.04 7.59 6.86 3g3tA1 TRP 440 HZ2 -0.04 0.03 -0.11 -0.04 7.44 7.27 3g3tA1 TRP 440 HZ3 -0.14 -0.01 -0.15 -0.04 7.13 6.79 3g3tA1 TRP 440 HH2 -0.07 0.01 -0.13 -0.04 7.19 6.97 3g3tA1 VAL 441 H -1.17 0.23 -0.37 -0.55 8.24 6.38 3g3tA1 VAL 441 HA -0.87 0.08 0.42 -0.75 4.13 3.00 3g3tA1 VAL 441 HB -0.76 0.16 -0.01 -0.04 2.12 1.48 3g3tA1 VAL 441 HG13 -0.40 0.01 -0.25 -0.04 0.97 0.29 3g3tA1 VAL 441 HG23 -1.96 -0.01 -0.07 -0.04 0.95 -1.13 3g3tA1 ARG 442 H -0.32 0.38 -0.19 -0.55 8.46 7.78 3g3tA1 ARG 442 HA -0.15 0.04 0.34 -0.75 4.34 3.81 3g3tA1 ARG 442 HB2 -0.10 0.07 0.05 -0.04 1.90 1.87 3g3tA1 ARG 442 HB3 -0.08 -0.00 -0.03 -0.04 1.80 1.65 3g3tA1 ARG 442 HG2 -0.14 -0.06 -0.08 -0.04 1.67 1.34 3g3tA1 ARG 442 HG3 -0.17 0.20 -0.20 -0.04 1.67 1.46 3g3tA1 ARG 442 HD2 -0.08 0.01 -0.04 -0.04 3.22 3.07 3g3tA1 ARG 442 HD3 -0.07 -0.03 -0.07 -0.04 3.22 3.02 3g3tA1 GLU 443 H -0.10 0.50 -0.26 -0.55 8.60 8.19 3g3tA1 GLU 443 HA -0.03 0.06 0.38 -0.75 4.29 3.94 3g3tA1 GLU 443 HB2 0.02 0.05 0.11 -0.04 2.09 2.23 3g3tA1 GLU 443 HB3 0.02 -0.03 -0.07 -0.04 1.99 1.87 3g3tA1 GLU 443 HG2 0.01 -0.02 -0.02 -0.04 2.34 2.27 3g3tA1 GLU 443 HG3 -0.01 0.02 0.00 -0.04 2.34 2.31 3g3tA1 LEU 444 H -0.07 0.52 -0.17 -0.55 8.37 8.09 3g3tA1 LEU 444 HA -0.03 -0.03 0.36 -0.75 4.35 3.89 3g3tA1 LEU 444 HB2 0.06 0.05 0.10 -0.04 1.64 1.81 3g3tA1 LEU 444 HB3 -0.15 0.06 0.16 -0.04 1.64 1.66 3g3tA1 LEU 444 HG -0.16 0.01 -0.32 -0.04 1.64 1.13 3g3tA1 LEU 444 HD13 -0.03 -0.02 -0.03 -0.04 0.93 0.80 3g3tA1 LEU 444 HD23 0.03 -0.01 -0.11 -0.04 0.89 0.76 3g3tA1 VAL 445 H -0.20 0.66 -0.14 -0.55 8.24 8.01 3g3tA1 VAL 445 HA -0.38 -0.01 0.25 -0.75 4.13 3.23 3g3tA1 VAL 445 HB -0.19 0.13 0.04 -0.04 2.12 2.07 3g3tA1 VAL 445 HG13 0.02 -0.01 -0.15 -0.04 0.97 0.79 3g3tA1 VAL 445 HG23 -0.57 -0.04 -0.08 -0.04 0.95 0.22 3g3tA1 GLY 446 H -0.08 0.30 -0.60 -0.55 8.43 7.49 3g3tA1 GLY 446 HA2 -0.02 0.07 0.68 -0.51 4.01 4.24 3g3tA1 GLY 446 HA3 -0.03 -0.03 0.31 -0.51 4.01 3.75 3g3tA1 SER 447 H -0.06 0.43 -0.30 -0.55 8.46 7.98 3g3tA1 SER 447 HA 0.05 0.09 0.59 -0.75 4.49 4.46 3g3tA1 SER 447 HB2 0.08 -0.19 0.18 -0.04 3.95 3.98 3g3tA1 SER 447 HB3 0.01 0.18 0.12 -0.04 3.93 4.20 3g3tA1 HIS 448 H 0.25 0.09 0.17 -0.55 8.41 8.39 3g3tA1 HIS 448 HA 0.02 0.21 0.43 -0.75 4.63 4.53 3g3tA1 HIS 448 HB2 0.04 0.01 0.12 -0.04 3.26 3.40 3g3tA1 HIS 448 HB3 0.02 0.01 0.12 -0.04 3.20 3.31 3g3tA1 HIS 448 HD2 0.02 -0.01 0.08 -0.04 6.97 7.01 3g3tA1 HIS 448 HE1 0.04 -0.02 -0.05 -0.04 7.75 7.68 3g3tA1 LEU 449 H -0.27 0.04 -0.32 -0.55 8.37 7.26 3g3tA1 LEU 449 HA -0.30 0.02 0.40 -0.75 4.35 3.72 3g3tA1 LEU 449 HB2 -0.17 0.09 -0.01 -0.04 1.64 1.52 3g3tA1 LEU 449 HB3 -0.13 -0.03 0.00 -0.04 1.64 1.44 3g3tA1 LEU 449 HG -0.38 -0.05 0.01 -0.04 1.64 1.18 3g3tA1 LEU 449 HD13 -0.06 0.00 -0.07 -0.04 0.93 0.76 3g3tA1 LEU 449 HD23 -0.31 -0.00 -0.02 -0.04 0.89 0.51 3g3tA1 VAL 450 H -0.09 0.39 -0.33 -0.55 8.24 7.66 3g3tA1 VAL 450 HA -0.03 0.26 0.95 -0.75 4.13 4.55 3g3tA1 VAL 450 HB -0.07 -0.09 -0.07 -0.04 2.12 1.85 3g3tA1 VAL 450 HG13 -0.14 -0.04 -0.38 -0.04 0.97 0.37 3g3tA1 VAL 450 HG23 -0.28 0.02 -0.17 -0.04 0.95 0.48 3g3tA1 GLU 451 H 0.07 0.34 0.25 -0.55 8.60 8.71 3g3tA1 GLU 451 HA 0.05 0.25 0.72 -0.75 4.29 4.56 3g3tA1 GLU 451 HB2 -0.03 0.02 -0.14 -0.04 2.09 1.90 3g3tA1 GLU 451 HB3 -0.07 -0.12 0.09 -0.04 1.99 1.85 3g3tA1 GLU 451 HG2 -0.08 0.13 -0.00 -0.04 2.34 2.35 3g3tA1 GLU 451 HG3 -0.02 0.05 0.12 -0.04 2.34 2.45 3g3tA1 PRO 452 HA -0.44 0.20 0.63 -0.51 4.44 4.32 3g3tA1 PRO 452 HB2 -0.18 -0.01 -0.01 -0.04 2.28 2.04 3g3tA1 PRO 452 HB3 -0.29 0.01 0.12 -0.04 2.02 1.82 3g3tA1 PRO 452 HG2 -0.04 0.02 0.09 -0.04 2.03 2.05 3g3tA1 PRO 452 HG3 0.06 0.06 0.07 -0.04 2.03 2.18 3g3tA1 PRO 452 HD2 -0.02 0.08 0.22 -0.04 3.68 3.92 3g3tA1 PRO 452 HD3 0.11 0.26 0.18 -0.04 3.65 4.15 3g3tA1 VAL 453 H -0.43 0.49 0.34 -0.55 8.24 8.08 3g3tA1 VAL 453 HA -0.49 0.20 0.89 -0.75 4.13 3.98 3g3tA1 VAL 453 HB -1.23 0.12 -0.04 -0.04 2.12 0.93 3g3tA1 VAL 453 HG13 -1.58 0.01 -0.14 -0.04 0.97 -0.79 3g3tA1 VAL 453 HG23 -0.79 -0.03 -0.24 -0.04 0.95 -0.15 3g3tA1 PRO 454 HA -0.16 0.10 0.61 -0.51 4.44 4.48 3g3tA1 PRO 454 HB2 -0.07 0.07 0.08 -0.04 2.28 2.32 3g3tA1 PRO 454 HB3 -0.11 0.02 0.10 -0.04 2.02 1.99 3g3tA1 PRO 454 HG2 -0.11 0.06 -0.06 -0.04 2.03 1.88 3g3tA1 PRO 454 HG3 -0.12 0.04 0.04 -0.04 2.03 1.95 3g3tA1 PRO 454 HD2 -0.52 0.08 0.15 -0.04 3.68 3.34 3g3tA1 PRO 454 HD3 -0.30 0.17 0.15 -0.04 3.65 3.63 3g3tA1 LYS 455 H -0.05 0.09 0.13 -0.55 8.42 8.04 3g3tA1 LYS 455 HA 0.02 0.03 0.47 -0.75 4.32 4.09 3g3tA1 LYS 455 HB2 0.02 -0.02 -0.10 -0.04 1.87 1.73 3g3tA1 LYS 455 HB3 0.01 0.01 0.07 -0.04 1.79 1.84 3g3tA1 LYS 455 HG2 -0.02 -0.03 0.16 -0.04 1.46 1.53 3g3tA1 LYS 455 HG3 -0.00 0.02 0.04 -0.04 1.46 1.47 3g3tA1 LYS 455 HD2 -0.02 0.02 0.05 -0.04 1.69 1.69 3g3tA1 LYS 455 HD3 -0.05 -0.03 0.13 -0.04 1.68 1.69 3g3tA1 LYS 455 HE2 -0.04 0.04 0.05 -0.04 2.99 3.00 3g3tA1 LYS 455 HE3 -0.04 -0.00 0.07 -0.04 2.99 2.98 3g3tA1 PHE 456 H 0.18 0.18 0.10 -0.55 8.34 8.24 3g3tA1 PHE 456 HA 0.06 0.15 0.84 -0.75 4.62 4.92 3g3tA1 PHE 456 HB2 0.14 0.18 -0.24 -0.04 3.15 3.19 3g3tA1 PHE 456 HB3 0.22 -0.04 0.03 -0.04 3.06 3.23 3g3tA1 PHE 456 HD2 0.12 -0.01 -0.20 -0.04 7.28 7.15 3g3tA1 PHE 456 HE2 0.03 -0.01 -0.11 -0.04 7.38 7.25 3g3tA1 PHE 456 HZ -0.01 0.01 -0.07 -0.04 7.32 7.22 3g3tA1 SER 457 H -0.35 0.22 0.07 -0.55 8.46 7.85 3g3tA1 SER 457 HA -0.05 0.12 0.59 -0.75 4.49 4.40 3g3tA1 SER 457 HB2 -0.07 0.15 0.03 -0.04 3.95 4.01 3g3tA1 SER 457 HB3 -0.21 0.07 0.14 -0.04 3.93 3.89 3g3tA1 LYS 458 H -0.00 0.24 0.18 -0.55 8.42 8.28 3g3tA1 LYS 458 HA 0.02 0.16 0.49 -0.75 4.32 4.24 3g3tA1 LYS 458 HB2 0.05 -0.02 0.04 -0.04 1.87 1.90 3g3tA1 LYS 458 HB3 0.05 0.04 -0.01 -0.04 1.79 1.83 3g3tA1 LYS 458 HG2 -0.06 0.05 -0.05 -0.04 1.46 1.36 3g3tA1 LYS 458 HG3 0.03 0.06 0.04 -0.04 1.46 1.54 3g3tA1 LYS 458 HD2 0.07 -0.02 -0.04 -0.04 1.69 1.66 3g3tA1 LYS 458 HD3 0.00 0.01 -0.04 -0.04 1.68 1.62 3g3tA1 LYS 458 HE2 -0.29 0.02 -0.06 -0.04 2.99 2.62 3g3tA1 LYS 458 HE3 -0.15 0.02 -0.05 -0.04 2.99 2.77 3g3tA1 PHE 459 H -0.12 0.09 -0.09 -0.55 8.34 7.67 3g3tA1 PHE 459 HA -0.56 0.12 0.40 -0.75 4.62 3.83 3g3tA1 PHE 459 HB2 -1.17 0.05 0.04 -0.04 3.15 2.04 3g3tA1 PHE 459 HB3 -0.26 -0.05 0.04 -0.04 3.06 2.75 3g3tA1 PHE 459 HD2 -0.12 0.01 -0.03 -0.04 7.28 7.10 3g3tA1 PHE 459 HE2 0.11 0.04 -0.25 -0.04 7.38 7.24 3g3tA1 PHE 459 HZ 0.17 -0.14 -0.07 -0.04 7.32 7.24 3g3tA1 ILE 460 H -0.14 0.04 -0.29 -0.55 8.25 7.32 3g3tA1 ILE 460 HA -0.21 0.06 0.35 -0.75 4.18 3.63 3g3tA1 ILE 460 HB -0.22 0.01 0.08 -0.04 1.89 1.72 3g3tA1 ILE 460 HG12 -0.55 0.07 0.00 -0.04 1.49 0.97 3g3tA1 ILE 460 HG13 -0.27 -0.13 -0.05 -0.04 1.21 0.73 3g3tA1 ILE 460 HG23 -0.13 0.03 -0.12 -0.04 0.93 0.67 3g3tA1 ILE 460 HD13 -0.19 0.00 -0.16 -0.04 0.88 0.50 3g3tA1 HIS 461 H -0.10 0.48 -0.20 -0.55 8.41 8.04 3g3tA1 HIS 461 HA 0.03 0.07 0.32 -0.75 4.63 4.30 3g3tA1 HIS 461 HB2 -0.16 0.06 0.06 -0.04 3.26 3.18 3g3tA1 HIS 461 HB3 0.13 0.00 0.05 -0.04 3.20 3.34 3g3tA1 HIS 461 HD2 0.32 -0.02 -0.24 -0.04 6.97 6.99 3g3tA1 HIS 461 HE1 0.21 0.04 -0.04 -0.04 7.75 7.91 3g3tA1 GLY 462 H 0.04 0.58 -0.30 -0.55 8.43 8.20 3g3tA1 GLY 462 HA2 0.05 0.03 0.36 -0.51 4.01 3.95 3g3tA1 GLY 462 HA3 0.04 0.05 0.27 -0.51 4.01 3.86 3g3tA1 VAL 463 H -0.14 0.53 -0.11 -0.55 8.24 7.98 3g3tA1 VAL 463 HA -0.14 0.01 0.41 -0.75 4.13 3.65 3g3tA1 VAL 463 HB -0.42 0.08 0.13 -0.04 2.12 1.86 3g3tA1 VAL 463 HG13 -0.79 -0.01 -0.15 -0.04 0.97 -0.02 3g3tA1 VAL 463 HG23 -0.23 0.01 -0.00 -0.04 0.95 0.68 3g3tA1 ALA 464 H -0.12 0.62 -0.12 -0.55 8.40 8.24 3g3tA1 ALA 464 HA -0.18 0.02 0.20 -0.75 4.34 3.62 3g3tA1 ALA 464 HB3 0.01 0.01 0.07 -0.04 1.41 1.45 3g3tA1 THR 465 H -0.16 0.32 -0.49 -0.55 8.28 7.41 3g3tA1 THR 465 HA -0.09 0.10 0.58 -0.75 4.39 4.23 3g3tA1 THR 465 HB -0.15 0.02 0.12 -0.04 4.32 4.28 3g3tA1 THR 465 HG23 -0.03 -0.01 -0.08 -0.04 1.22 1.06 3g3tA1 LEU 466 H -0.07 0.60 0.04 -0.55 8.37 8.39 3g3tA1 LEU 466 HA -0.02 0.15 0.42 -0.75 4.35 4.14 3g3tA1 LEU 466 HB2 -0.03 0.09 0.09 -0.04 1.64 1.75 3g3tA1 LEU 466 HB3 -0.02 -0.06 0.03 -0.04 1.64 1.55 3g3tA1 LEU 466 HG 0.01 -0.04 -0.04 -0.04 1.64 1.53 3g3tA1 LEU 466 HD13 0.02 -0.03 -0.22 -0.04 0.93 0.66 3g3tA1 LEU 466 HD23 0.01 0.00 -0.32 -0.04 0.89 0.53 3g3tA1 LEU 467 H -0.09 0.58 -0.14 -0.55 8.37 8.18 3g3tA1 LEU 467 HA -0.02 0.16 0.83 -0.75 4.35 4.57 3g3tA1 LEU 467 HB2 -0.12 0.14 0.14 -0.04 1.64 1.76 3g3tA1 LEU 467 HB3 -0.02 -0.07 0.17 -0.04 1.64 1.68 3g3tA1 LEU 467 HG -0.01 -0.02 -0.21 -0.04 1.64 1.35 3g3tA1 LEU 467 HD13 0.13 -0.02 -0.00 -0.04 0.93 1.00 3g3tA1 LEU 467 HD23 0.09 0.03 -0.00 -0.04 0.89 0.97 3g3tA1 ASN 468 H -0.05 0.31 -0.46 -0.55 8.53 7.79 3g3tA1 ASN 468 HA -0.07 0.00 0.30 -0.75 4.76 4.23 3g3tA1 ASN 468 HB2 -0.02 0.00 0.08 -0.04 2.88 2.90 3g3tA1 ASN 468 HB3 -0.04 0.00 0.19 -0.04 2.79 2.90 3g3tA1 ASN 468 HD21 -0.01 -0.04 -0.04 -0.04 7.03 6.89 3g3tA1 ASN 468 HD22 -0.01 -0.00 -0.11 -0.04 7.74 7.58 3g3tA1 ASP 469 H -0.02 0.10 -0.34 -0.55 8.40 7.59 3g3tA1 ASP 469 HA -0.01 0.14 0.41 -0.75 4.63 4.41 3g3tA1 ASP 469 HB2 -0.00 0.03 0.08 -0.04 2.71 2.77 3g3tA1 ASP 469 HB3 -0.01 -0.01 0.05 -0.04 2.70 2.69 3g3tA1 LYS 470 H -0.04 0.43 -0.44 -0.55 8.42 7.82 3g3tA1 LYS 470 HA -0.03 0.16 0.68 -0.75 4.32 4.37 3g3tA1 LYS 470 HB2 -0.03 -0.10 -0.01 -0.04 1.87 1.69 3g3tA1 LYS 470 HB3 -0.08 0.07 0.05 -0.04 1.79 1.79 3g3tA1 LYS 470 HG2 -0.11 0.00 -0.01 -0.04 1.46 1.30 3g3tA1 LYS 470 HG3 -0.09 0.02 0.06 -0.04 1.46 1.40 3g3tA1 LYS 470 HD2 -0.09 -0.05 0.01 -0.04 1.69 1.52 3g3tA1 LYS 470 HD3 -0.11 -0.05 0.00 -0.04 1.68 1.47 3g3tA1 LYS 470 HE2 -1.37 -0.14 0.07 -0.04 2.99 1.52 3g3tA1 LYS 470 HE3 -0.38 0.14 0.08 -0.04 2.99 2.78 3g3tA1 VAL 471 H -0.07 0.20 -0.05 -0.55 8.24 7.78 3g3tA1 VAL 471 HA 0.05 0.08 0.59 -0.75 4.13 4.11 3g3tA1 VAL 471 HB -0.03 -0.04 0.04 -0.04 2.12 2.05 3g3tA1 VAL 471 HG13 -0.59 -0.00 -0.11 -0.04 0.97 0.22 3g3tA1 VAL 471 HG23 -0.06 0.00 -0.07 -0.04 0.95 0.78 3g3tA1 ASP 472 H 0.36 0.08 0.14 -0.55 8.40 8.44 3g3tA1 ASP 472 HA 0.07 0.27 0.88 -0.75 4.63 5.10 3g3tA1 ASP 472 HB2 0.04 -0.01 0.14 -0.04 2.71 2.85 3g3tA1 ASP 472 HB3 0.06 0.07 -0.07 -0.04 2.70 2.72 3g3tA1 SER 473 H 0.28 0.12 -0.03 -0.55 8.46 8.28 3g3tA1 SER 473 HA 0.11 0.15 0.50 -0.75 4.49 4.50 3g3tA1 SER 473 HB2 0.40 -0.09 0.04 -0.04 3.95 4.27 3g3tA1 SER 473 HB3 0.14 0.02 -0.06 -0.04 3.93 3.99 3g3tA1 ILE 474 H 0.08 0.28 0.05 -0.55 8.25 8.11 3g3tA1 ILE 474 HA 0.12 0.15 0.83 -0.75 4.18 4.52 3g3tA1 ILE 474 HB 0.05 -0.01 0.02 -0.04 1.89 1.91 3g3tA1 ILE 474 HG12 0.02 0.03 -0.05 -0.04 1.49 1.45 3g3tA1 ILE 474 HG13 0.06 -0.15 -0.61 -0.04 1.21 0.48 3g3tA1 ILE 474 HG23 0.05 0.06 -0.16 -0.04 0.93 0.83 3g3tA1 ILE 474 HD13 0.02 0.04 -0.07 -0.04 0.88 0.83 3g3tA1 PRO 475 HA 0.03 0.11 0.14 -0.51 4.44 4.21 3g3tA1 PRO 475 HB2 0.08 0.05 0.03 -0.04 2.28 2.40 3g3tA1 PRO 475 HB3 -0.01 0.02 0.03 -0.04 2.02 2.02 3g3tA1 PRO 475 HG2 0.10 0.07 -0.04 -0.04 2.03 2.12 3g3tA1 PRO 475 HG3 0.03 -0.02 -0.06 -0.04 2.03 1.93 3g3tA1 PRO 475 HD2 0.08 0.11 0.17 -0.04 3.68 4.01 3g3tA1 PRO 475 HD3 0.02 0.10 0.06 -0.04 3.65 3.79