============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 24 rings ring int. center anis. iso. TYR 8 0.840 45.145 -51.945 37.578 -99.200 -91.000 TYR 35 0.840 37.926 -36.411 25.988 -99.200 -91.000 TYR 40 0.840 53.087 -45.954 28.535 -99.200 -91.000 PHE 55 1.000 40.880 -26.648 30.583 -99.200 -91.000 TYR 59 0.840 47.542 -32.799 29.292 -99.200 -91.000 HIS 65 0.900 54.059 -28.486 19.113 -99.200 -91.000 TYR 66 0.840 58.931 -31.767 25.533 -99.200 -91.000 PHE 76 1.000 52.067 -38.604 35.629 -99.200 -91.000 TYR 107 0.840 52.816 -48.330 34.311 -99.200 -91.000 HIS 110 0.900 60.838 -42.378 31.707 -99.200 -91.000 PHE 123 1.000 45.996 -31.256 37.273 -99.200 -91.000 TRP 129 1.040 50.903 -29.340 40.421 -99.200 -91.000 TRP6 129 1.020 52.427 -30.813 41.475 -99.200 -91.000 TYR 136 0.840 39.666 -43.723 47.486 -99.200 -91.000 PHE 145 1.000 26.340 -37.862 47.260 -99.200 -91.000 TYR 154 0.840 42.267 -48.424 46.783 -99.200 -91.000 TYR 172 0.840 23.999 -48.658 40.872 -99.200 -91.000 PHE 191 1.000 25.464 -50.741 30.230 -99.200 -91.000 PHE 227 1.000 19.418 -61.744 50.237 -99.200 -91.000 HIS 235 0.900 8.823 -49.037 55.210 -99.200 -91.000 HIS 236 0.900 9.048 -49.008 49.195 -99.200 -91.000 HIS 237 0.900 7.051 -56.668 49.712 -99.200 -91.000 HIS 238 0.900 13.434 -55.754 44.675 -99.200 -91.000 HIS 239 0.900 4.681 -55.420 43.993 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3mi0V1 THR 301 HA 0.03 0.00 0.24 -0.75 4.39 3.90 3mi0V1 THR 301 HB 0.03 -0.23 0.11 -0.04 4.32 4.19 3mi0V1 THR 301 HG23 0.04 0.02 -0.16 -0.04 1.22 1.08 3mi0V1 THR 302 H 0.04 0.22 0.15 -0.55 8.28 8.14 3mi0V1 THR 302 HA 0.06 0.20 0.67 -0.75 4.39 4.57 3mi0V1 THR 302 HB 0.05 -0.01 0.01 -0.04 4.32 4.33 3mi0V1 THR 302 HG23 0.07 0.00 -0.31 -0.04 1.22 0.94 3mi0V1 ILE 303 H 0.06 0.56 0.28 -0.55 8.25 8.60 3mi0V1 ILE 303 HA 0.06 0.26 1.07 -0.75 4.18 4.82 3mi0V1 ILE 303 HB 0.08 -0.05 0.01 -0.04 1.89 1.88 3mi0V1 ILE 303 HG12 0.06 0.01 -0.05 -0.04 1.49 1.46 3mi0V1 ILE 303 HG13 0.06 -0.12 -0.51 -0.04 1.21 0.60 3mi0V1 ILE 303 HG23 0.08 0.00 -0.18 -0.04 0.93 0.80 3mi0V1 ILE 303 HD13 0.08 -0.01 -0.32 -0.04 0.88 0.58 3mi0V1 VAL 304 H 0.07 0.72 0.39 -0.55 8.24 8.87 3mi0V1 VAL 304 HA 0.09 0.25 1.20 -0.75 4.13 4.91 3mi0V1 VAL 304 HB 0.08 0.06 0.10 -0.04 2.12 2.32 3mi0V1 VAL 304 HG13 0.07 -0.02 -0.22 -0.04 0.97 0.75 3mi0V1 VAL 304 HG23 0.07 0.02 -0.03 -0.04 0.95 0.97 3mi0V1 ALA 305 H 0.11 0.61 0.36 -0.55 8.40 8.93 3mi0V1 ALA 305 HA 0.11 0.30 0.84 -0.75 4.34 4.85 3mi0V1 ALA 305 HB3 0.11 -0.02 -0.05 -0.04 1.41 1.41 3mi0V1 LEU 306 H 0.15 0.57 0.36 -0.55 8.37 8.90 3mi0V1 LEU 306 HA 0.14 0.22 0.83 -0.75 4.35 4.78 3mi0V1 LEU 306 HB2 0.31 0.16 0.17 -0.04 1.64 2.24 3mi0V1 LEU 306 HB3 0.18 -0.03 -0.03 -0.04 1.64 1.72 3mi0V1 LEU 306 HG 0.16 -0.08 -0.06 -0.04 1.64 1.62 3mi0V1 LEU 306 HD13 0.28 -0.01 -0.28 -0.04 0.93 0.88 3mi0V1 LEU 306 HD23 0.16 0.02 -0.10 -0.04 0.89 0.93 3mi0V1 LYS 307 H 0.19 0.70 0.34 -0.55 8.42 9.10 3mi0V1 LYS 307 HA 0.08 0.13 0.97 -0.75 4.32 4.74 3mi0V1 LYS 307 HB2 0.15 -0.01 0.13 -0.04 1.87 2.09 3mi0V1 LYS 307 HB3 0.04 0.06 0.06 -0.04 1.79 1.91 3mi0V1 LYS 307 HG2 0.00 -0.03 -0.17 -0.04 1.46 1.22 3mi0V1 LYS 307 HG3 0.05 -0.09 -0.19 -0.04 1.46 1.18 3mi0V1 LYS 307 HD2 -0.02 -0.04 -0.21 -0.04 1.69 1.38 3mi0V1 LYS 307 HD3 0.01 -0.08 -0.08 -0.04 1.68 1.49 3mi0V1 LYS 307 HE2 0.01 -0.05 -0.02 -0.04 2.99 2.89 3mi0V1 LYS 307 HE3 -0.05 -0.06 -0.07 -0.04 2.99 2.77 3mi0V1 TYR 308 H -0.19 0.65 0.25 -0.55 8.29 8.45 3mi0V1 TYR 308 HA 0.06 0.23 0.57 -0.75 4.56 4.66 3mi0V1 TYR 308 HB2 0.03 -0.04 -0.21 -0.04 3.06 2.80 3mi0V1 TYR 308 HB3 0.07 0.00 -0.30 -0.04 2.98 2.71 3mi0V1 TYR 308 HD2 0.06 0.13 -0.43 -0.04 7.15 6.87 3mi0V1 TYR 308 HE2 0.04 0.07 -0.30 -0.04 6.85 6.62 3mi0V1 PRO 309 HA 0.02 0.14 0.51 -0.51 4.44 4.60 3mi0V1 PRO 309 HB2 0.11 -0.00 0.16 -0.04 2.28 2.51 3mi0V1 PRO 309 HB3 0.05 0.00 0.12 -0.04 2.02 2.15 3mi0V1 PRO 309 HG2 0.05 0.12 0.07 -0.04 2.03 2.23 3mi0V1 PRO 309 HG3 0.04 0.06 0.06 -0.04 2.03 2.15 3mi0V1 PRO 309 HD2 0.21 -0.03 -0.31 -0.04 3.68 3.51 3mi0V1 PRO 309 HD3 0.11 0.22 -0.01 -0.04 3.65 3.94 3mi0V1 GLY 310 H -0.04 0.71 0.50 -0.55 8.43 9.07 3mi0V1 GLY 310 HA2 0.07 0.03 0.45 -0.51 4.01 4.05 3mi0V1 GLY 310 HA3 0.05 0.06 0.76 -0.51 4.01 4.38 3mi0V1 GLY 311 H -0.56 0.75 0.11 -0.55 8.43 8.18 3mi0V1 GLY 311 HA2 0.02 0.04 0.53 -0.51 4.01 4.09 3mi0V1 GLY 311 HA3 -0.48 0.02 0.42 -0.51 4.01 3.45 3mi0V1 VAL 312 H 0.01 0.58 0.36 -0.55 8.24 8.64 3mi0V1 VAL 312 HA 0.06 0.21 0.95 -0.75 4.13 4.60 3mi0V1 VAL 312 HB 0.01 -0.02 -0.11 -0.04 2.12 1.96 3mi0V1 VAL 312 HG13 0.10 -0.00 -0.14 -0.04 0.97 0.89 3mi0V1 VAL 312 HG23 0.10 0.04 -0.14 -0.04 0.95 0.91 3mi0V1 VAL 313 H 0.21 0.68 0.35 -0.55 8.24 8.92 3mi0V1 VAL 313 HA 0.16 0.30 1.12 -0.75 4.13 4.95 3mi0V1 VAL 313 HB 0.17 -0.04 -0.11 -0.04 2.12 2.09 3mi0V1 VAL 313 HG13 0.18 0.00 -0.15 -0.04 0.97 0.95 3mi0V1 VAL 313 HG23 0.07 -0.01 -0.22 -0.04 0.95 0.76 3mi0V1 MET 314 H 0.10 0.60 0.34 -0.55 8.47 8.95 3mi0V1 MET 314 HA 0.10 0.31 1.04 -0.75 4.52 5.21 3mi0V1 MET 314 HB2 0.11 -0.02 -0.08 -0.04 2.15 2.11 3mi0V1 MET 314 HB3 0.09 -0.07 0.03 -0.04 2.03 2.05 3mi0V1 MET 314 HG2 0.08 -0.04 -0.29 -0.04 2.63 2.34 3mi0V1 MET 314 HG3 0.10 0.20 -0.01 -0.04 2.56 2.80 3mi0V1 MET 314 HE3 0.13 -0.00 -0.29 -0.04 2.10 1.89 3mi0V1 ALA 315 H 0.08 0.59 0.33 -0.55 8.40 8.85 3mi0V1 ALA 315 HA 0.05 0.23 1.08 -0.75 4.34 4.95 3mi0V1 ALA 315 HB3 0.06 -0.00 -0.08 -0.04 1.41 1.34 3mi0V1 GLY 316 H 0.04 0.60 0.39 -0.55 8.43 8.90 3mi0V1 GLY 316 HA2 0.05 0.22 1.11 -0.51 4.01 4.88 3mi0V1 GLY 316 HA3 0.03 -0.04 0.35 -0.51 4.01 3.84 3mi0V1 ASP 317 H 0.03 0.33 0.33 -0.55 8.40 8.55 3mi0V1 ASP 317 HA 0.03 0.13 0.57 -0.75 4.63 4.61 3mi0V1 ASP 317 HB2 0.01 0.17 0.28 -0.04 2.71 3.12 3mi0V1 ASP 317 HB3 0.03 0.06 0.21 -0.04 2.70 2.95 3mi0V1 ARG 318 H -0.00 0.15 0.14 -0.55 8.46 8.19 3mi0V1 ARG 318 HA -0.00 0.42 0.79 -0.75 4.34 4.79 3mi0V1 ARG 318 HB2 -0.03 0.05 -0.12 -0.04 1.90 1.76 3mi0V1 ARG 318 HB3 -0.02 -0.09 -0.13 -0.04 1.80 1.52 3mi0V1 ARG 318 HG2 0.01 -0.16 -0.30 -0.04 1.67 1.18 3mi0V1 ARG 318 HG3 -0.01 0.04 -0.24 -0.04 1.67 1.42 3mi0V1 ARG 318 HD2 -0.00 0.10 -0.30 -0.04 3.22 2.98 3mi0V1 ARG 318 HD3 0.02 -0.01 -0.04 -0.04 3.22 3.15 3mi0V1 ARG 319 H -0.00 -0.06 0.02 -0.55 8.46 7.86 3mi0V1 ARG 319 HA -0.01 0.27 0.72 -0.75 4.34 4.56 3mi0V1 ARG 319 HB2 -0.02 -0.05 0.05 -0.04 1.90 1.84 3mi0V1 ARG 319 HB3 -0.01 -0.07 0.09 -0.04 1.80 1.77 3mi0V1 ARG 319 HG2 -0.01 0.00 -0.38 -0.04 1.67 1.25 3mi0V1 ARG 319 HG3 -0.01 0.06 0.01 -0.04 1.67 1.69 3mi0V1 ARG 319 HD2 -0.02 -0.01 -0.63 -0.04 3.22 2.53 3mi0V1 ARG 319 HD3 -0.02 0.04 -0.15 -0.04 3.22 3.06 3mi0V1 SER 320 H -0.01 0.48 0.36 -0.55 8.46 8.75 3mi0V1 SER 320 HA 0.00 0.19 0.74 -0.75 4.49 4.66 3mi0V1 SER 320 HB2 0.00 0.02 0.11 -0.04 3.95 4.04 3mi0V1 SER 320 HB3 0.00 0.01 -0.08 -0.04 3.93 3.83 3mi0V1 THR 321 H -0.00 0.23 0.21 -0.55 8.28 8.17 3mi0V1 THR 321 HA -0.01 0.07 1.08 -0.75 4.39 4.78 3mi0V1 THR 321 HB -0.01 0.20 -0.07 -0.04 4.32 4.41 3mi0V1 THR 321 HG23 -0.01 -0.01 -0.21 -0.04 1.22 0.95 3mi0V1 GLN 322 H -0.01 0.67 0.03 -0.55 8.47 8.62 3mi0V1 GLN 322 HA -0.00 0.06 0.67 -0.75 4.36 4.34 3mi0V1 GLN 322 HB2 -0.01 -0.02 0.13 -0.04 2.15 2.22 3mi0V1 GLN 322 HB3 -0.01 -0.00 0.07 -0.04 2.02 2.04 3mi0V1 GLN 322 HG2 -0.01 0.11 -0.05 -0.04 2.40 2.42 3mi0V1 GLN 322 HG3 -0.01 -0.06 -0.36 -0.04 2.39 1.92 3mi0V1 GLN 322 HE21 -0.01 -0.00 -0.01 -0.04 6.97 6.91 3mi0V1 GLN 322 HE22 -0.01 -0.00 -0.00 -0.04 7.69 7.64 3mi0V1 GLY 323 H -0.00 0.14 0.06 -0.55 8.43 8.09 3mi0V1 GLY 323 HA2 -0.00 0.06 0.33 -0.51 4.01 3.89 3mi0V1 GLY 323 HA3 -0.00 0.03 0.53 -0.51 4.01 4.05 3mi0V1 ASN 324 H -0.00 0.11 0.21 -0.55 8.53 8.30 3mi0V1 ASN 324 HA -0.01 0.12 0.46 -0.75 4.76 4.58 3mi0V1 ASN 324 HB2 -0.01 -0.02 0.11 -0.04 2.88 2.93 3mi0V1 ASN 324 HB3 -0.01 0.03 0.08 -0.04 2.79 2.85 3mi0V1 ASN 324 HD21 -0.00 0.01 0.02 -0.04 7.03 7.02 3mi0V1 ASN 324 HD22 -0.01 0.01 0.05 -0.04 7.74 7.75 3mi0V1 MET 325 H -0.01 0.35 -0.16 -0.55 8.47 8.10 3mi0V1 MET 325 HA -0.01 0.08 0.52 -0.75 4.52 4.35 3mi0V1 MET 325 HB2 -0.01 0.09 0.11 -0.04 2.15 2.30 3mi0V1 MET 325 HB3 -0.01 0.06 -0.08 -0.04 2.03 1.95 3mi0V1 MET 325 HG2 -0.01 0.02 -0.00 -0.04 2.63 2.59 3mi0V1 MET 325 HG3 -0.01 -0.09 0.05 -0.04 2.56 2.47 3mi0V1 MET 325 HE3 -0.01 -0.01 0.02 -0.04 2.10 2.06 3mi0V1 ILE 326 H -0.01 0.14 0.19 -0.55 8.25 8.02 3mi0V1 ILE 326 HA -0.01 0.16 0.75 -0.75 4.18 4.33 3mi0V1 ILE 326 HB -0.02 -0.05 0.21 -0.04 1.89 2.00 3mi0V1 ILE 326 HG12 -0.02 0.08 0.02 -0.04 1.49 1.53 3mi0V1 ILE 326 HG13 -0.02 0.03 0.06 -0.04 1.21 1.24 3mi0V1 ILE 326 HG23 -0.02 -0.00 -0.05 -0.04 0.93 0.81 3mi0V1 ILE 326 HD13 -0.03 -0.01 0.04 -0.04 0.88 0.85 3mi0V1 SER 327 H -0.01 0.50 0.32 -0.55 8.46 8.72 3mi0V1 SER 327 HA -0.01 0.20 0.85 -0.75 4.49 4.77 3mi0V1 SER 327 HB2 -0.01 -0.03 -0.00 -0.04 3.95 3.87 3mi0V1 SER 327 HB3 -0.01 -0.01 -0.16 -0.04 3.93 3.71 3mi0V1 GLY 328 H -0.01 0.43 0.22 -0.55 8.43 8.52 3mi0V1 GLY 328 HA2 -0.01 0.13 0.62 -0.51 4.01 4.24 3mi0V1 GLY 328 HA3 -0.01 -0.00 0.34 -0.51 4.01 3.83 3mi0V1 ARG 329 H -0.02 0.09 0.18 -0.55 8.46 8.16 3mi0V1 ARG 329 HA -0.03 0.24 0.97 -0.75 4.34 4.77 3mi0V1 ARG 329 HB2 -0.03 0.01 -0.01 -0.04 1.90 1.83 3mi0V1 ARG 329 HB3 -0.04 0.01 0.11 -0.04 1.80 1.84 3mi0V1 ARG 329 HG2 -0.03 0.09 -0.22 -0.04 1.67 1.47 3mi0V1 ARG 329 HG3 -0.02 -0.06 -0.28 -0.04 1.67 1.26 3mi0V1 ARG 329 HD2 -0.03 0.00 -0.06 -0.04 3.22 3.09 3mi0V1 ARG 329 HD3 -0.04 -0.02 -0.03 -0.04 3.22 3.09 3mi0V1 ASP 330 H -0.01 -0.07 0.13 -0.55 8.40 7.90 3mi0V1 ASP 330 HA -0.02 0.28 0.92 -0.75 4.63 5.05 3mi0V1 ASP 330 HB2 -0.01 0.02 0.16 -0.04 2.71 2.84 3mi0V1 ASP 330 HB3 -0.02 0.06 -0.12 -0.04 2.70 2.58 3mi0V1 VAL 331 H -0.01 0.30 0.00 -0.55 8.24 7.98 3mi0V1 VAL 331 HA -0.00 -0.00 0.36 -0.75 4.13 3.73 3mi0V1 VAL 331 HB -0.00 0.07 -0.22 -0.04 2.12 1.93 3mi0V1 VAL 331 HG13 0.01 0.01 -0.18 -0.04 0.97 0.77 3mi0V1 VAL 331 HG23 0.00 -0.02 -0.10 -0.04 0.95 0.79 3mi0V1 ARG 332 H -0.03 0.13 0.17 -0.55 8.46 8.18 3mi0V1 ARG 332 HA -0.07 0.14 0.81 -0.75 4.34 4.46 3mi0V1 ARG 332 HB2 -0.13 -0.03 0.17 -0.04 1.90 1.87 3mi0V1 ARG 332 HB3 -0.19 0.01 0.04 -0.04 1.80 1.61 3mi0V1 ARG 332 HG2 -0.05 0.04 -0.00 -0.04 1.67 1.62 3mi0V1 ARG 332 HG3 -0.04 0.11 -0.04 -0.04 1.67 1.67 3mi0V1 ARG 332 HD2 -0.04 -0.03 0.04 -0.04 3.22 3.15 3mi0V1 ARG 332 HD3 -0.06 -0.02 0.04 -0.04 3.22 3.14 3mi0V1 LYS 333 H -0.08 0.19 0.10 -0.55 8.42 8.08 3mi0V1 LYS 333 HA -0.01 0.21 0.82 -0.75 4.32 4.58 3mi0V1 LYS 333 HB2 0.01 -0.02 0.01 -0.04 1.87 1.83 3mi0V1 LYS 333 HB3 0.05 0.01 0.12 -0.04 1.79 1.93 3mi0V1 LYS 333 HG2 0.03 -0.01 -0.25 -0.04 1.46 1.18 3mi0V1 LYS 333 HG3 -0.00 0.12 -0.28 -0.04 1.46 1.25 3mi0V1 LYS 333 HD2 0.03 -0.08 -0.04 -0.04 1.69 1.56 3mi0V1 LYS 333 HD3 0.03 0.00 -0.02 -0.04 1.68 1.66 3mi0V1 LYS 333 HE2 0.02 -0.03 -0.13 -0.04 2.99 2.81 3mi0V1 LYS 333 HE3 0.01 0.08 -0.26 -0.04 2.99 2.78 3mi0V1 VAL 334 H -0.18 0.09 -0.02 -0.55 8.24 7.57 3mi0V1 VAL 334 HA 0.06 0.31 1.04 -0.75 4.13 4.79 3mi0V1 VAL 334 HB -0.03 -0.05 -0.03 -0.04 2.12 1.97 3mi0V1 VAL 334 HG13 0.06 0.01 -0.32 -0.04 0.97 0.68 3mi0V1 VAL 334 HG23 0.03 -0.03 -0.31 -0.04 0.95 0.61 3mi0V1 TYR 335 H 0.28 0.81 0.29 -0.55 8.29 9.12 3mi0V1 TYR 335 HA 0.04 0.18 0.98 -0.75 4.56 5.02 3mi0V1 TYR 335 HB2 0.07 -0.06 -0.04 -0.04 3.06 2.99 3mi0V1 TYR 335 HB3 0.05 0.09 -0.14 -0.04 2.98 2.94 3mi0V1 TYR 335 HD2 0.05 0.09 -0.10 -0.04 7.15 7.14 3mi0V1 TYR 335 HE2 0.03 0.00 -0.11 -0.04 6.85 6.74 3mi0V1 ILE 336 H 0.13 0.18 0.11 -0.55 8.25 8.11 3mi0V1 ILE 336 HA 0.09 0.12 0.69 -0.75 4.18 4.34 3mi0V1 ILE 336 HB 0.06 -0.02 0.16 -0.04 1.89 2.05 3mi0V1 ILE 336 HG12 0.04 0.02 -0.16 -0.04 1.49 1.35 3mi0V1 ILE 336 HG13 0.05 -0.05 -0.09 -0.04 1.21 1.07 3mi0V1 ILE 336 HG23 0.02 0.02 -0.10 -0.04 0.93 0.83 3mi0V1 ILE 336 HD13 0.01 0.02 -0.18 -0.04 0.88 0.69 3mi0V1 THR 337 H 0.11 0.49 0.28 -0.55 8.28 8.61 3mi0V1 THR 337 HA 0.06 0.23 0.90 -0.75 4.39 4.82 3mi0V1 THR 337 HB -0.02 -0.03 -0.07 -0.04 4.32 4.17 3mi0V1 THR 337 HG23 0.19 0.02 -0.13 -0.04 1.22 1.25 3mi0V1 ASP 338 H 0.04 0.45 0.20 -0.55 8.40 8.55 3mi0V1 ASP 338 HA -0.00 0.16 0.31 -0.75 4.63 4.34 3mi0V1 ASP 338 HB2 0.01 0.01 0.18 -0.04 2.71 2.87 3mi0V1 ASP 338 HB3 -0.05 0.19 -0.06 -0.04 2.70 2.75 3mi0V1 ASP 339 H 0.00 0.19 0.14 -0.55 8.40 8.19 3mi0V1 ASP 339 HA -0.14 0.15 0.45 -0.75 4.63 4.34 3mi0V1 ASP 339 HB2 -0.04 -0.02 0.11 -0.04 2.71 2.73 3mi0V1 ASP 339 HB3 -0.43 0.06 0.11 -0.04 2.70 2.40 3mi0V1 TYR 340 H 0.11 0.02 -0.31 -0.55 8.29 7.56 3mi0V1 TYR 340 HA 0.06 0.20 0.92 -0.75 4.56 4.98 3mi0V1 TYR 340 HB2 0.08 -0.05 0.07 -0.04 3.06 3.12 3mi0V1 TYR 340 HB3 0.12 0.12 0.30 -0.04 2.98 3.48 3mi0V1 TYR 340 HD2 0.05 -0.05 -0.03 -0.04 7.15 7.08 3mi0V1 TYR 340 HE2 -0.07 0.05 -0.05 -0.04 6.85 6.74 3mi0V1 THR 341 H 0.09 0.39 -0.04 -0.55 8.28 8.17 3mi0V1 THR 341 HA 0.21 0.32 1.02 -0.75 4.39 5.18 3mi0V1 THR 341 HB 0.24 0.12 0.03 -0.04 4.32 4.66 3mi0V1 THR 341 HG23 0.29 -0.03 -0.32 -0.04 1.22 1.11 3mi0V1 ALA 342 H 0.18 0.79 0.40 -0.55 8.40 9.22 3mi0V1 ALA 342 HA 0.14 0.20 1.07 -0.75 4.34 5.01 3mi0V1 ALA 342 HB3 0.11 -0.01 -0.13 -0.04 1.41 1.34 3mi0V1 THR 343 H 0.20 0.64 0.34 -0.55 8.28 8.91 3mi0V1 THR 343 HA 0.13 0.31 1.09 -0.75 4.39 5.16 3mi0V1 THR 343 HB 0.16 -0.03 0.05 -0.04 4.32 4.47 3mi0V1 THR 343 HG23 -0.01 0.01 -0.15 -0.04 1.22 1.02 3mi0V1 GLY 344 H 0.12 0.62 0.37 -0.55 8.43 8.99 3mi0V1 GLY 344 HA2 0.16 0.45 1.09 -0.51 4.01 5.20 3mi0V1 GLY 344 HA3 0.11 -0.04 0.29 -0.51 4.01 3.86 3mi0V1 ILE 345 H 0.15 0.44 0.21 -0.55 8.25 8.50 3mi0V1 ILE 345 HA 0.10 0.27 1.18 -0.75 4.18 4.98 3mi0V1 ILE 345 HB 0.11 -0.02 -0.08 -0.04 1.89 1.85 3mi0V1 ILE 345 HG12 0.10 0.03 -0.73 -0.04 1.49 0.84 3mi0V1 ILE 345 HG13 0.17 0.04 -0.29 -0.04 1.21 1.09 3mi0V1 ILE 345 HG23 0.11 0.03 -0.29 -0.04 0.93 0.73 3mi0V1 ILE 345 HD13 0.12 0.08 -0.13 -0.04 0.88 0.90 3mi0V1 ALA 346 H 0.07 0.55 0.24 -0.55 8.40 8.72 3mi0V1 ALA 346 HA 0.04 0.23 0.86 -0.75 4.34 4.72 3mi0V1 ALA 346 HB3 0.05 -0.01 -0.06 -0.04 1.41 1.35 3mi0V1 GLY 347 H 0.02 0.17 0.18 -0.55 8.43 8.25 3mi0V1 GLY 347 HA2 0.01 0.02 0.38 -0.51 4.01 3.91 3mi0V1 GLY 347 HA3 0.00 0.25 0.99 -0.51 4.01 4.74 3mi0V1 THR 348 H -0.04 0.63 0.19 -0.55 8.28 8.52 3mi0V1 THR 348 HA -0.03 0.05 0.46 -0.75 4.39 4.11 3mi0V1 THR 348 HB -0.09 -0.06 -0.05 -0.04 4.32 4.07 3mi0V1 THR 348 HG23 -0.05 -0.05 -0.06 -0.04 1.22 1.02 3mi0V1 ALA 349 H -0.02 0.20 0.24 -0.55 8.40 8.27 3mi0V1 ALA 349 HA -0.01 0.12 0.24 -0.75 4.34 3.93 3mi0V1 ALA 349 HB3 -0.00 0.03 0.11 -0.04 1.41 1.50 3mi0V1 ALA 350 H -0.04 0.11 -0.13 -0.55 8.40 7.79 3mi0V1 ALA 350 HA -0.04 0.08 0.31 -0.75 4.34 3.94 3mi0V1 ALA 350 HB3 -0.05 0.02 0.02 -0.04 1.41 1.36 3mi0V1 VAL 351 H -0.14 0.11 -0.32 -0.55 8.24 7.34 3mi0V1 VAL 351 HA -0.29 0.06 0.42 -0.75 4.13 3.57 3mi0V1 VAL 351 HB -0.30 0.06 -0.09 -0.04 2.12 1.75 3mi0V1 VAL 351 HG13 -0.88 0.02 -0.11 -0.04 0.97 -0.05 3mi0V1 VAL 351 HG23 -0.15 0.01 -0.06 -0.04 0.95 0.70 3mi0V1 ALA 352 H -0.17 0.68 -0.19 -0.55 8.40 8.18 3mi0V1 ALA 352 HA -0.13 -0.01 0.19 -0.75 4.34 3.63 3mi0V1 ALA 352 HB3 -0.00 0.02 -0.22 -0.04 1.41 1.17 3mi0V1 VAL 353 H -0.05 0.62 -0.22 -0.55 8.24 8.04 3mi0V1 VAL 353 HA -0.05 0.05 0.46 -0.75 4.13 3.83 3mi0V1 VAL 353 HB -0.01 0.09 0.07 -0.04 2.12 2.23 3mi0V1 VAL 353 HG13 0.01 -0.02 -0.11 -0.04 0.97 0.82 3mi0V1 VAL 353 HG23 0.09 0.02 -0.01 -0.04 0.95 1.00 3mi0V1 GLU 354 H -0.10 0.49 -0.13 -0.55 8.60 8.32 3mi0V1 GLU 354 HA -0.02 0.02 0.52 -0.75 4.29 4.06 3mi0V1 GLU 354 HB2 -0.08 0.10 0.15 -0.04 2.09 2.22 3mi0V1 GLU 354 HB3 0.01 -0.04 0.03 -0.04 1.99 1.95 3mi0V1 GLU 354 HG2 -0.04 0.07 0.03 -0.04 2.34 2.36 3mi0V1 GLU 354 HG3 -0.02 -0.02 0.01 -0.04 2.34 2.28 3mi0V1 PHE 355 H -0.04 0.60 -0.27 -0.55 8.34 8.08 3mi0V1 PHE 355 HA -0.07 0.02 0.32 -0.75 4.62 4.14 3mi0V1 PHE 355 HB2 -0.09 0.14 0.06 -0.04 3.15 3.21 3mi0V1 PHE 355 HB3 -0.14 -0.06 -0.17 -0.04 3.06 2.65 3mi0V1 PHE 355 HD2 -0.08 -0.06 -0.17 -0.04 7.28 6.93 3mi0V1 PHE 355 HE2 -0.06 0.10 -0.09 -0.04 7.38 7.30 3mi0V1 PHE 355 HZ -0.05 0.05 -0.01 -0.04 7.32 7.27 3mi0V1 ALA 356 H -0.04 0.48 -0.16 -0.55 8.40 8.14 3mi0V1 ALA 356 HA -0.02 -0.01 0.30 -0.75 4.34 3.85 3mi0V1 ALA 356 HB3 -0.59 0.02 0.00 -0.04 1.41 0.80 3mi0V1 ARG 357 H -0.13 0.52 -0.19 -0.55 8.46 8.11 3mi0V1 ARG 357 HA -0.07 0.04 0.49 -0.75 4.34 4.04 3mi0V1 ARG 357 HB2 -0.08 0.05 0.10 -0.04 1.90 1.94 3mi0V1 ARG 357 HB3 -0.03 0.03 0.13 -0.04 1.80 1.89 3mi0V1 ARG 357 HG2 -0.01 -0.01 -0.15 -0.04 1.67 1.45 3mi0V1 ARG 357 HG3 -0.02 -0.03 0.03 -0.04 1.67 1.61 3mi0V1 ARG 357 HD2 -0.00 -0.00 -0.01 -0.04 3.22 3.16 3mi0V1 ARG 357 HD3 -0.01 0.00 -0.04 -0.04 3.22 3.14 3mi0V1 LEU 358 H 0.02 0.67 -0.04 -0.55 8.37 8.47 3mi0V1 LEU 358 HA 0.00 0.00 0.52 -0.75 4.35 4.12 3mi0V1 LEU 358 HB2 0.03 -0.01 0.13 -0.04 1.64 1.74 3mi0V1 LEU 358 HB3 0.07 0.15 0.14 -0.04 1.64 1.96 3mi0V1 LEU 358 HG 0.02 -0.02 -0.17 -0.04 1.64 1.42 3mi0V1 LEU 358 HD13 -0.02 -0.03 0.04 -0.04 0.93 0.89 3mi0V1 LEU 358 HD23 0.04 -0.00 -0.03 -0.04 0.89 0.85 3mi0V1 TYR 359 H 0.12 0.70 -0.16 -0.55 8.29 8.39 3mi0V1 TYR 359 HA -0.08 -0.02 0.40 -0.75 4.56 4.11 3mi0V1 TYR 359 HB2 -0.13 0.08 0.07 -0.04 3.06 3.04 3mi0V1 TYR 359 HB3 -0.08 0.08 0.10 -0.04 2.98 3.03 3mi0V1 TYR 359 HD2 -0.10 0.02 -0.11 -0.04 7.15 6.92 3mi0V1 TYR 359 HE2 -0.10 -0.03 -0.12 -0.04 6.85 6.56 3mi0V1 ALA 360 H 0.02 0.55 -0.14 -0.55 8.40 8.28 3mi0V1 ALA 360 HA -0.17 0.09 0.50 -0.75 4.34 4.00 3mi0V1 ALA 360 HB3 -0.02 0.02 0.16 -0.04 1.41 1.54 3mi0V1 VAL 361 H -0.03 0.43 -0.25 -0.55 8.24 7.85 3mi0V1 VAL 361 HA -0.01 0.01 0.43 -0.75 4.13 3.81 3mi0V1 VAL 361 HB -0.02 0.13 0.20 -0.04 2.12 2.39 3mi0V1 VAL 361 HG13 -0.04 -0.02 -0.11 -0.04 0.97 0.76 3mi0V1 VAL 361 HG23 -0.01 0.03 0.05 -0.04 0.95 0.97 3mi0V1 GLU 362 H -0.04 0.63 -0.09 -0.55 8.60 8.56 3mi0V1 GLU 362 HA 0.01 -0.00 0.44 -0.75 4.29 3.98 3mi0V1 GLU 362 HB2 -0.01 0.05 0.10 -0.04 2.09 2.19 3mi0V1 GLU 362 HB3 -0.04 0.10 0.14 -0.04 1.99 2.15 3mi0V1 GLU 362 HG2 0.00 -0.05 -0.15 -0.04 2.34 2.10 3mi0V1 GLU 362 HG3 0.03 -0.03 0.05 -0.04 2.34 2.35 3mi0V1 LEU 363 H -0.19 0.60 -0.15 -0.55 8.37 8.08 3mi0V1 LEU 363 HA -0.09 -0.03 0.46 -0.75 4.35 3.94 3mi0V1 LEU 363 HB2 -0.29 0.23 0.19 -0.04 1.64 1.74 3mi0V1 LEU 363 HB3 -0.12 -0.06 -0.01 -0.04 1.64 1.41 3mi0V1 LEU 363 HG -0.20 -0.10 -0.01 -0.04 1.64 1.29 3mi0V1 LEU 363 HD13 -0.41 0.01 -0.04 -0.04 0.93 0.45 3mi0V1 LEU 363 HD23 -0.59 0.01 -0.15 -0.04 0.89 0.12 3mi0V1 GLU 364 H -0.02 0.61 -0.04 -0.55 8.60 8.61 3mi0V1 GLU 364 HA 0.03 -0.01 0.52 -0.75 4.29 4.08 3mi0V1 GLU 364 HB2 0.00 0.04 0.15 -0.04 2.09 2.25 3mi0V1 GLU 364 HB3 0.02 0.11 0.13 -0.04 1.99 2.22 3mi0V1 GLU 364 HG2 0.03 -0.00 -0.08 -0.04 2.34 2.24 3mi0V1 GLU 364 HG3 0.02 -0.06 0.09 -0.04 2.34 2.34 3mi0V1 HIS 365 H 0.14 0.54 -0.22 -0.55 8.41 8.32 3mi0V1 HIS 365 HA -0.00 0.01 0.46 -0.75 4.63 4.35 3mi0V1 HIS 365 HB2 0.00 0.16 0.13 -0.04 3.26 3.51 3mi0V1 HIS 365 HB3 0.02 0.11 0.18 -0.04 3.20 3.47 3mi0V1 HIS 365 HD2 0.03 -0.00 -0.10 -0.04 6.97 6.86 3mi0V1 HIS 365 HE1 -0.01 -0.01 -0.01 -0.04 7.75 7.68 3mi0V1 TYR 366 H 0.21 0.51 -0.11 -0.55 8.29 8.35 3mi0V1 TYR 366 HA -0.06 0.02 0.45 -0.75 4.56 4.22 3mi0V1 TYR 366 HB2 0.01 0.06 0.15 -0.04 3.06 3.24 3mi0V1 TYR 366 HB3 -0.02 0.06 0.16 -0.04 2.98 3.14 3mi0V1 TYR 366 HD2 -0.00 0.05 -0.14 -0.04 7.15 7.02 3mi0V1 TYR 366 HE2 -0.01 0.05 -0.13 -0.04 6.85 6.72 3mi0V1 GLU 367 H 0.14 0.41 -0.17 -0.55 8.60 8.44 3mi0V1 GLU 367 HA 0.08 0.22 0.20 -0.75 4.29 4.04 3mi0V1 GLU 367 HB2 0.09 0.03 0.11 -0.04 2.09 2.28 3mi0V1 GLU 367 HB3 0.04 0.11 0.05 -0.04 1.99 2.14 3mi0V1 GLU 367 HG2 0.04 0.03 -0.29 -0.04 2.34 2.08 3mi0V1 GLU 367 HG3 0.08 -0.08 -0.36 -0.04 2.34 1.93 3mi0V1 LYS 368 H -0.04 0.56 -0.19 -0.55 8.42 8.20 3mi0V1 LYS 368 HA -0.05 0.04 0.49 -0.75 4.32 4.04 3mi0V1 LYS 368 HB2 -0.08 0.08 0.16 -0.04 1.87 1.98 3mi0V1 LYS 368 HB3 -0.06 -0.05 0.01 -0.04 1.79 1.66 3mi0V1 LYS 368 HG2 -0.02 -0.05 0.02 -0.04 1.46 1.37 3mi0V1 LYS 368 HG3 -0.01 0.14 0.07 -0.04 1.46 1.62 3mi0V1 LYS 368 HD2 -0.01 -0.03 -0.00 -0.04 1.69 1.61 3mi0V1 LYS 368 HD3 0.00 -0.05 -0.01 -0.04 1.68 1.58 3mi0V1 LYS 368 HE2 0.03 0.05 -0.18 -0.04 2.99 2.86 3mi0V1 LYS 368 HE3 0.01 0.01 -0.01 -0.04 2.99 2.95 3mi0V1 LEU 369 H -0.23 0.53 -0.10 -0.55 8.37 8.03 3mi0V1 LEU 369 HA -0.16 0.02 0.49 -0.75 4.35 3.95 3mi0V1 LEU 369 HB2 -0.35 0.07 0.21 -0.04 1.64 1.52 3mi0V1 LEU 369 HB3 -0.24 -0.06 -0.01 -0.04 1.64 1.29 3mi0V1 LEU 369 HG -0.52 0.07 0.07 -0.04 1.64 1.22 3mi0V1 LEU 369 HD13 -0.32 -0.03 -0.04 -0.04 0.93 0.50 3mi0V1 LEU 369 HD23 -0.16 -0.02 0.02 -0.04 0.89 0.69 3mi0V1 GLU 370 H -0.33 0.70 -0.01 -0.55 8.60 8.42 3mi0V1 GLU 370 HA -0.18 0.16 0.81 -0.75 4.29 4.32 3mi0V1 GLU 370 HB2 -0.54 0.12 0.05 -0.04 2.09 1.68 3mi0V1 GLU 370 HB3 -0.23 -0.07 0.11 -0.04 1.99 1.76 3mi0V1 GLU 370 HG2 -0.92 0.04 0.02 -0.04 2.34 1.44 3mi0V1 GLU 370 HG3 -0.92 -0.08 -0.01 -0.04 2.34 1.29 3mi0V1 GLY 371 H -0.10 0.42 -0.24 -0.55 8.43 7.97 3mi0V1 GLY 371 HA2 -0.03 0.02 0.34 -0.51 4.01 3.83 3mi0V1 GLY 371 HA3 -0.03 0.04 0.51 -0.51 4.01 4.02 3mi0V1 VAL 372 H -0.00 0.18 -0.37 -0.55 8.24 7.50 3mi0V1 VAL 372 HA 0.06 0.14 0.77 -0.75 4.13 4.35 3mi0V1 VAL 372 HB 0.04 0.04 -0.19 -0.04 2.12 1.97 3mi0V1 VAL 372 HG13 0.09 0.01 -0.17 -0.04 0.97 0.87 3mi0V1 VAL 372 HG23 0.09 0.03 0.00 -0.04 0.95 1.03 3mi0V1 PRO 373 HA 0.16 0.07 0.60 -0.51 4.44 4.76 3mi0V1 PRO 373 HB2 0.08 0.09 0.03 -0.04 2.28 2.44 3mi0V1 PRO 373 HB3 0.09 -0.01 0.10 -0.04 2.02 2.16 3mi0V1 PRO 373 HG2 0.13 0.01 -0.00 -0.04 2.03 2.13 3mi0V1 PRO 373 HG3 0.10 0.01 0.05 -0.04 2.03 2.14 3mi0V1 PRO 373 HD2 0.10 0.11 0.20 -0.04 3.68 4.06 3mi0V1 PRO 373 HD3 0.09 0.14 0.08 -0.04 3.65 3.92 3mi0V1 LEU 374 H -0.01 0.09 0.12 -0.55 8.37 8.03 3mi0V1 LEU 374 HA -0.22 0.08 0.45 -0.75 4.35 3.91 3mi0V1 LEU 374 HB2 -0.18 -0.03 0.04 -0.04 1.64 1.44 3mi0V1 LEU 374 HB3 -0.25 -0.05 -0.05 -0.04 1.64 1.25 3mi0V1 LEU 374 HG -0.80 0.04 0.03 -0.04 1.64 0.87 3mi0V1 LEU 374 HD13 -0.28 0.00 -0.15 -0.04 0.93 0.47 3mi0V1 LEU 374 HD23 -1.04 0.00 -0.01 -0.04 0.89 -0.20 3mi0V1 THR 375 H -0.07 0.09 0.13 -0.55 8.28 7.88 3mi0V1 THR 375 HA 0.14 0.18 0.42 -0.75 4.39 4.37 3mi0V1 THR 375 HB 0.06 -0.05 0.11 -0.04 4.32 4.40 3mi0V1 THR 375 HG23 0.00 0.06 0.05 -0.04 1.22 1.29 3mi0V1 PHE 376 H 0.20 0.18 0.11 -0.55 8.34 8.27 3mi0V1 PHE 376 HA -0.03 0.15 0.31 -0.75 4.62 4.30 3mi0V1 PHE 376 HB2 -0.04 0.01 0.07 -0.04 3.15 3.15 3mi0V1 PHE 376 HB3 -0.05 0.00 0.01 -0.04 3.06 2.98 3mi0V1 PHE 376 HD2 -0.03 0.02 -0.18 -0.04 7.28 7.05 3mi0V1 PHE 376 HE2 0.02 0.04 -0.22 -0.04 7.38 7.18 3mi0V1 PHE 376 HZ 0.05 0.03 -0.35 -0.04 7.32 7.01 3mi0V1 ALA 377 H 0.03 0.09 -0.20 -0.55 8.40 7.78 3mi0V1 ALA 377 HA -0.25 0.10 0.32 -0.75 4.34 3.76 3mi0V1 ALA 377 HB3 -0.07 0.03 0.00 -0.04 1.41 1.33 3mi0V1 GLY 378 H -0.13 0.04 -0.39 -0.55 8.43 7.41 3mi0V1 GLY 378 HA2 -0.17 0.07 0.38 -0.51 4.01 3.78 3mi0V1 GLY 378 HA3 -0.18 0.03 0.24 -0.51 4.01 3.58 3mi0V1 LYS 379 H -0.23 0.50 -0.27 -0.55 8.42 7.87 3mi0V1 LYS 379 HA -0.11 0.03 0.33 -0.75 4.32 3.81 3mi0V1 LYS 379 HB2 -0.44 0.12 0.04 -0.04 1.87 1.55 3mi0V1 LYS 379 HB3 -0.08 -0.03 -0.08 -0.04 1.79 1.56 3mi0V1 LYS 379 HG2 -0.14 -0.04 -0.07 -0.04 1.46 1.18 3mi0V1 LYS 379 HG3 -0.13 0.19 -0.19 -0.04 1.46 1.29 3mi0V1 LYS 379 HD2 0.03 -0.04 -0.14 -0.04 1.69 1.49 3mi0V1 LYS 379 HD3 0.00 -0.04 -0.13 -0.04 1.68 1.47 3mi0V1 LYS 379 HE2 0.00 -0.06 -0.07 -0.04 2.99 2.83 3mi0V1 LYS 379 HE3 0.04 0.33 -0.17 -0.04 2.99 3.15 3mi0V1 ILE 380 H -0.44 0.47 -0.29 -0.55 8.25 7.44 3mi0V1 ILE 380 HA -0.16 0.02 0.27 -0.75 4.18 3.56 3mi0V1 ILE 380 HB -0.63 0.15 0.10 -0.04 1.89 1.48 3mi0V1 ILE 380 HG12 -0.30 -0.03 -0.11 -0.04 1.49 1.00 3mi0V1 ILE 380 HG13 -0.88 0.10 -0.07 -0.04 1.21 0.32 3mi0V1 ILE 380 HG23 -1.10 -0.01 -0.24 -0.04 0.93 -0.47 3mi0V1 ILE 380 HD13 -0.20 -0.03 -0.16 -0.04 0.88 0.45 3mi0V1 ASN 381 H -0.32 0.45 -0.17 -0.55 8.53 7.94 3mi0V1 ASN 381 HA -0.22 0.04 0.38 -0.75 4.76 4.20 3mi0V1 ASN 381 HB2 -0.21 0.03 0.09 -0.04 2.88 2.75 3mi0V1 ASN 381 HB3 -0.13 0.06 0.08 -0.04 2.79 2.76 3mi0V1 ASN 381 HD21 0.00 0.00 -0.05 -0.04 7.03 6.95 3mi0V1 ASN 381 HD22 -0.04 0.01 -0.08 -0.04 7.74 7.59 3mi0V1 ARG 382 H -0.10 0.53 -0.21 -0.55 8.46 8.12 3mi0V1 ARG 382 HA -0.04 0.03 0.51 -0.75 4.34 4.08 3mi0V1 ARG 382 HB2 0.07 0.08 0.09 -0.04 1.90 2.10 3mi0V1 ARG 382 HB3 0.04 -0.03 -0.00 -0.04 1.80 1.77 3mi0V1 ARG 382 HG2 -0.11 0.24 0.01 -0.04 1.67 1.77 3mi0V1 ARG 382 HG3 -0.07 -0.02 -0.04 -0.04 1.67 1.50 3mi0V1 ARG 382 HD2 -0.05 -0.07 -0.16 -0.04 3.22 2.90 3mi0V1 ARG 382 HD3 -0.06 -0.02 -0.04 -0.04 3.22 3.07 3mi0V1 LEU 383 H -0.11 0.53 -0.17 -0.55 8.37 8.08 3mi0V1 LEU 383 HA -0.57 0.02 0.42 -0.75 4.35 3.47 3mi0V1 LEU 383 HB2 -1.03 0.02 0.03 -0.04 1.64 0.62 3mi0V1 LEU 383 HB3 -0.52 0.11 0.06 -0.04 1.64 1.25 3mi0V1 LEU 383 HG -1.46 0.01 -0.22 -0.04 1.64 -0.07 3mi0V1 LEU 383 HD13 -1.01 -0.02 -0.05 -0.04 0.93 -0.18 3mi0V1 LEU 383 HD23 -0.74 -0.02 -0.17 -0.04 0.89 -0.08 3mi0V1 ALA 384 H -0.07 0.56 -0.18 -0.55 8.40 8.17 3mi0V1 ALA 384 HA 0.08 -0.01 0.34 -0.75 4.34 4.00 3mi0V1 ALA 384 HB3 0.28 0.08 0.10 -0.04 1.41 1.84 3mi0V1 ILE 385 H -0.05 0.51 -0.21 -0.55 8.25 7.95 3mi0V1 ILE 385 HA 0.00 0.02 0.42 -0.75 4.18 3.87 3mi0V1 ILE 385 HB -0.04 0.10 0.18 -0.04 1.89 2.09 3mi0V1 ILE 385 HG12 0.02 -0.05 0.03 -0.04 1.49 1.45 3mi0V1 ILE 385 HG13 0.02 0.04 0.06 -0.04 1.21 1.29 3mi0V1 ILE 385 HG23 -0.01 -0.02 -0.11 -0.04 0.93 0.75 3mi0V1 ILE 385 HD13 -0.00 -0.02 -0.07 -0.04 0.88 0.74 3mi0V1 MET 386 H -0.17 0.49 -0.20 -0.55 8.47 8.04 3mi0V1 MET 386 HA -0.12 -0.00 0.36 -0.75 4.52 4.00 3mi0V1 MET 386 HB2 -0.21 0.08 0.12 -0.04 2.15 2.11 3mi0V1 MET 386 HB3 -0.54 0.10 0.12 -0.04 2.03 1.68 3mi0V1 MET 386 HG2 -0.53 -0.02 -0.13 -0.04 2.63 1.91 3mi0V1 MET 386 HG3 -0.11 -0.03 0.00 -0.04 2.56 2.38 3mi0V1 MET 386 HE3 0.03 -0.01 -0.17 -0.04 2.10 1.91 3mi0V1 VAL 387 H -0.34 0.55 -0.19 -0.55 8.24 7.70 3mi0V1 VAL 387 HA -0.24 -0.01 0.33 -0.75 4.13 3.46 3mi0V1 VAL 387 HB -0.09 0.07 0.12 -0.04 2.12 2.19 3mi0V1 VAL 387 HG13 0.07 0.04 -0.16 -0.04 0.97 0.87 3mi0V1 VAL 387 HG23 -0.44 0.03 -0.00 -0.04 0.95 0.50 3mi0V1 ARG 388 H -0.03 0.65 -0.11 -0.55 8.46 8.42 3mi0V1 ARG 388 HA 0.04 0.01 0.26 -0.75 4.34 3.89 3mi0V1 ARG 388 HB2 0.04 0.09 0.11 -0.04 1.90 2.10 3mi0V1 ARG 388 HB3 0.01 0.08 0.17 -0.04 1.80 2.03 3mi0V1 ARG 388 HG2 0.03 -0.05 0.03 -0.04 1.67 1.63 3mi0V1 ARG 388 HG3 0.02 -0.06 -0.15 -0.04 1.67 1.44 3mi0V1 ARG 388 HD2 0.03 -0.11 0.17 -0.04 3.22 3.27 3mi0V1 ARG 388 HD3 0.04 0.60 0.20 -0.04 3.22 4.02 3mi0V1 GLY 389 H -0.01 0.58 -0.28 -0.55 8.43 8.17 3mi0V1 GLY 389 HA2 0.02 -0.03 0.40 -0.51 4.01 3.89 3mi0V1 GLY 389 HA3 0.02 0.04 0.33 -0.51 4.01 3.89 3mi0V1 ASN 390 H 0.08 0.62 -0.44 -0.55 8.53 8.25 3mi0V1 ASN 390 HA 0.07 0.04 0.76 -0.75 4.76 4.89 3mi0V1 ASN 390 HB2 0.33 0.03 0.07 -0.04 2.88 3.27 3mi0V1 ASN 390 HB3 0.26 0.19 0.13 -0.04 2.79 3.32 3mi0V1 ASN 390 HD21 -0.05 0.37 0.17 -0.04 7.03 7.49 3mi0V1 ASN 390 HD22 0.09 -0.01 0.11 -0.04 7.74 7.89 3mi0V1 LEU 391 H 0.05 0.59 -0.22 -0.55 8.37 8.25 3mi0V1 LEU 391 HA 0.05 0.04 0.39 -0.75 4.35 4.07 3mi0V1 LEU 391 HB2 0.04 0.15 0.25 -0.04 1.64 2.04 3mi0V1 LEU 391 HB3 0.03 0.03 0.17 -0.04 1.64 1.83 3mi0V1 LEU 391 HG 0.02 -0.05 -0.23 -0.04 1.64 1.34 3mi0V1 LEU 391 HD13 0.03 -0.01 -0.06 -0.04 0.93 0.85 3mi0V1 LEU 391 HD23 0.02 -0.01 0.02 -0.04 0.89 0.88 3mi0V1 ALA 392 H 0.02 0.21 -0.15 -0.55 8.40 7.94 3mi0V1 ALA 392 HA 0.01 0.07 0.45 -0.75 4.34 4.12 3mi0V1 ALA 392 HB3 0.01 0.01 0.07 -0.04 1.41 1.47 3mi0V1 ALA 393 H 0.02 0.16 -0.10 -0.55 8.40 7.93 3mi0V1 ALA 393 HA 0.00 0.03 0.39 -0.75 4.34 4.00 3mi0V1 ALA 393 HB3 0.00 0.04 0.12 -0.04 1.41 1.53 3mi0V1 ALA 394 H 0.02 0.67 -0.19 -0.55 8.40 8.36 3mi0V1 ALA 394 HA 0.00 -0.07 -0.22 -0.75 4.34 3.30 3mi0V1 ALA 394 HB3 0.03 0.02 0.05 -0.04 1.41 1.47 3mi0V1 MET 395 H 0.01 0.52 -0.25 -0.55 8.47 8.21 3mi0V1 MET 395 HA 0.01 -0.02 0.43 -0.75 4.52 4.19 3mi0V1 MET 395 HB2 0.01 0.21 0.22 -0.04 2.15 2.54 3mi0V1 MET 395 HB3 0.01 -0.07 0.08 -0.04 2.03 2.00 3mi0V1 MET 395 HG2 0.01 -0.07 0.05 -0.04 2.63 2.58 3mi0V1 MET 395 HG3 0.01 0.18 0.08 -0.04 2.56 2.79 3mi0V1 MET 395 HE3 0.01 0.01 -0.06 -0.04 2.10 2.02 3mi0V1 GLN 396 H 0.00 0.34 -0.52 -0.55 8.47 7.75 3mi0V1 GLN 396 HA 0.00 0.11 0.69 -0.75 4.36 4.40 3mi0V1 GLN 396 HB2 -0.00 0.08 0.18 -0.04 2.15 2.37 3mi0V1 GLN 396 HB3 -0.00 -0.08 0.19 -0.04 2.02 2.09 3mi0V1 GLN 396 HG2 0.00 -0.01 0.04 -0.04 2.40 2.39 3mi0V1 GLN 396 HG3 0.00 0.05 -0.06 -0.04 2.39 2.34 3mi0V1 GLN 396 HE21 -0.00 -0.03 0.00 -0.04 6.97 6.90 3mi0V1 GLN 396 HE22 -0.00 0.01 0.02 -0.04 7.69 7.67 3mi0V1 GLY 397 H -0.00 0.46 -0.47 -0.55 8.43 7.88 3mi0V1 GLY 397 HA2 -0.00 -0.00 0.33 -0.51 4.01 3.83 3mi0V1 GLY 397 HA3 -0.01 0.13 0.74 -0.51 4.01 4.36 3mi0V1 LEU 398 H -0.01 0.52 -0.21 -0.55 8.37 8.12 3mi0V1 LEU 398 HA -0.04 0.06 0.73 -0.75 4.35 4.35 3mi0V1 LEU 398 HB2 -0.03 0.03 -0.04 -0.04 1.64 1.55 3mi0V1 LEU 398 HB3 -0.06 -0.08 0.06 -0.04 1.64 1.52 3mi0V1 LEU 398 HG -0.03 -0.05 -0.04 -0.04 1.64 1.47 3mi0V1 LEU 398 HD13 -0.02 -0.01 -0.19 -0.04 0.93 0.67 3mi0V1 LEU 398 HD23 -0.03 -0.01 -0.01 -0.04 0.89 0.80 3mi0V1 LEU 399 H -0.02 0.38 -0.18 -0.55 8.37 8.00 3mi0V1 LEU 399 HA 0.00 0.20 0.88 -0.75 4.35 4.68 3mi0V1 LEU 399 HB2 0.01 0.11 0.00 -0.04 1.64 1.73 3mi0V1 LEU 399 HB3 0.00 0.00 0.11 -0.04 1.64 1.71 3mi0V1 LEU 399 HG 0.03 -0.06 -0.43 -0.04 1.64 1.14 3mi0V1 LEU 399 HD13 0.05 -0.00 -0.06 -0.04 0.93 0.87 3mi0V1 LEU 399 HD23 0.02 -0.00 -0.05 -0.04 0.89 0.82 3mi0V1 ALA 400 H 0.02 0.34 0.17 -0.55 8.40 8.38 3mi0V1 ALA 400 HA -0.00 0.20 1.01 -0.75 4.34 4.79 3mi0V1 ALA 400 HB3 -0.20 0.00 -0.15 -0.04 1.41 1.02 3mi0V1 LEU 401 H 0.07 0.51 0.18 -0.55 8.37 8.58 3mi0V1 LEU 401 HA 0.13 0.27 0.95 -0.75 4.35 4.94 3mi0V1 LEU 401 HB2 0.08 -0.13 0.08 -0.04 1.64 1.63 3mi0V1 LEU 401 HB3 0.11 0.15 -0.00 -0.04 1.64 1.86 3mi0V1 LEU 401 HG 0.07 -0.09 -0.33 -0.04 1.64 1.25 3mi0V1 LEU 401 HD13 0.06 -0.01 -0.01 -0.04 0.93 0.94 3mi0V1 LEU 401 HD23 0.11 0.08 -0.24 -0.04 0.89 0.80 3mi0V1 PRO 402 HA 0.07 0.28 0.94 -0.51 4.44 5.23 3mi0V1 PRO 402 HB2 -0.19 0.02 -0.11 -0.04 2.28 1.96 3mi0V1 PRO 402 HB3 -0.07 -0.00 -0.07 -0.04 2.02 1.84 3mi0V1 PRO 402 HG2 -0.60 -0.01 -0.08 -0.04 2.03 1.30 3mi0V1 PRO 402 HG3 -0.61 0.06 -0.07 -0.04 2.03 1.37 3mi0V1 PRO 402 HD2 0.01 0.11 0.15 -0.04 3.68 3.91 3mi0V1 PRO 402 HD3 0.06 0.18 -0.01 -0.04 3.65 3.84 3mi0V1 LEU 403 H 0.10 0.63 0.39 -0.55 8.37 8.94 3mi0V1 LEU 403 HA 0.23 0.16 0.84 -0.75 4.35 4.83 3mi0V1 LEU 403 HB2 0.12 -0.02 -0.11 -0.04 1.64 1.59 3mi0V1 LEU 403 HB3 0.12 -0.04 0.05 -0.04 1.64 1.73 3mi0V1 LEU 403 HG 0.13 0.03 -0.32 -0.04 1.64 1.44 3mi0V1 LEU 403 HD13 0.12 0.04 -0.12 -0.04 0.93 0.93 3mi0V1 LEU 403 HD23 0.10 -0.02 -0.37 -0.04 0.89 0.55 3mi0V1 LEU 404 H 0.28 0.71 0.29 -0.55 8.37 9.10 3mi0V1 LEU 404 HA 0.17 0.28 1.13 -0.75 4.35 5.18 3mi0V1 LEU 404 HB2 0.20 -0.01 -0.10 -0.04 1.64 1.69 3mi0V1 LEU 404 HB3 0.34 -0.04 0.08 -0.04 1.64 1.98 3mi0V1 LEU 404 HG 0.31 -0.01 -0.37 -0.04 1.64 1.52 3mi0V1 LEU 404 HD13 0.18 0.05 -0.09 -0.04 0.93 1.03 3mi0V1 LEU 404 HD23 -0.02 -0.02 -0.21 -0.04 0.89 0.60 3mi0V1 ALA 405 H 0.19 0.73 0.38 -0.55 8.40 9.15 3mi0V1 ALA 405 HA 0.16 0.33 1.04 -0.75 4.34 5.11 3mi0V1 ALA 405 HB3 0.13 -0.02 -0.05 -0.04 1.41 1.43 3mi0V1 GLY 406 H 0.08 0.65 0.34 -0.55 8.43 8.94 3mi0V1 GLY 406 HA2 0.19 0.17 0.67 -0.51 4.01 4.54 3mi0V1 GLY 406 HA3 0.26 -0.03 0.35 -0.51 4.01 4.09 3mi0V1 TYR 407 H 0.22 0.59 0.24 -0.55 8.29 8.79 3mi0V1 TYR 407 HA -0.13 0.22 0.69 -0.75 4.56 4.59 3mi0V1 TYR 407 HB2 0.05 0.01 -0.29 -0.04 3.06 2.78 3mi0V1 TYR 407 HB3 0.23 -0.02 -0.01 -0.04 2.98 3.15 3mi0V1 TYR 407 HD2 -0.14 -0.04 -0.35 -0.04 7.15 6.57 3mi0V1 TYR 407 HE2 -0.10 0.10 -0.15 -0.04 6.85 6.66 3mi0V1 ASP 408 H -0.62 0.76 0.10 -0.55 8.40 8.10 3mi0V1 ASP 408 HA -0.24 0.05 0.72 -0.75 4.63 4.41 3mi0V1 ASP 408 HB2 -0.49 0.05 0.00 -0.04 2.71 2.24 3mi0V1 ASP 408 HB3 -0.35 0.06 0.18 -0.04 2.70 2.55 3mi0V1 ILE 409 H -0.37 0.21 0.15 -0.55 8.25 7.70 3mi0V1 ILE 409 HA -0.14 0.12 0.36 -0.75 4.18 3.77 3mi0V1 ILE 409 HB -0.30 0.06 0.05 -0.04 1.89 1.66 3mi0V1 ILE 409 HG12 -0.59 -0.10 0.14 -0.04 1.49 0.91 3mi0V1 ILE 409 HG13 -1.32 0.01 -0.08 -0.04 1.21 -0.22 3mi0V1 ILE 409 HG23 -0.80 0.03 0.03 -0.04 0.93 0.15 3mi0V1 ILE 409 HD13 -0.30 0.02 -0.00 -0.04 0.88 0.56 3mi0V1 HIS 410 H -0.36 -0.07 -0.27 -0.55 8.41 7.16 3mi0V1 HIS 410 HA -0.05 0.26 0.64 -0.75 4.63 4.73 3mi0V1 HIS 410 HB2 -0.04 -0.10 -0.03 -0.04 3.26 3.06 3mi0V1 HIS 410 HB3 -0.03 0.04 0.10 -0.04 3.20 3.27 3mi0V1 HIS 410 HD2 -0.00 -0.15 0.01 -0.04 6.97 6.78 3mi0V1 HIS 410 HE1 -0.01 0.06 -0.05 -0.04 7.75 7.70 3mi0V1 ALA 411 H -0.15 0.35 -0.43 -0.55 8.40 7.62 3mi0V1 ALA 411 HA -0.05 -0.02 0.41 -0.75 4.34 3.92 3mi0V1 ALA 411 HB3 -0.18 -0.00 -0.03 -0.04 1.41 1.15 3mi0V1 SER 412 H -0.04 0.05 0.12 -0.55 8.46 8.05 3mi0V1 SER 412 HA -0.01 0.14 0.42 -0.75 4.49 4.29 3mi0V1 SER 412 HB2 -0.01 0.02 0.01 -0.04 3.95 3.92 3mi0V1 SER 412 HB3 -0.01 0.03 0.11 -0.04 3.93 4.03 3mi0V1 ASP 413 H -0.05 0.06 -0.06 -0.55 8.40 7.80 3mi0V1 ASP 413 HA -0.02 0.32 0.96 -0.75 4.63 5.14 3mi0V1 ASP 413 HB2 -0.02 0.06 0.01 -0.04 2.71 2.73 3mi0V1 ASP 413 HB3 -0.03 -0.00 0.13 -0.04 2.70 2.75 3mi0V1 PRO 414 HA -0.06 0.09 0.34 -0.51 4.44 4.31 3mi0V1 PRO 414 HB2 0.04 -0.03 0.08 -0.04 2.28 2.34 3mi0V1 PRO 414 HB3 0.11 0.03 0.08 -0.04 2.02 2.20 3mi0V1 PRO 414 HG2 0.02 0.03 0.11 -0.04 2.03 2.16 3mi0V1 PRO 414 HG3 0.02 0.16 0.05 -0.04 2.03 2.21 3mi0V1 PRO 414 HD2 0.00 0.02 0.26 -0.04 3.68 3.92 3mi0V1 PRO 414 HD3 -0.01 0.73 0.39 -0.04 3.65 4.71 3mi0V1 GLN 415 H 0.00 0.15 -0.15 -0.55 8.47 7.92 3mi0V1 GLN 415 HA 0.03 0.07 0.51 -0.75 4.36 4.21 3mi0V1 GLN 415 HB2 0.00 0.01 0.05 -0.04 2.15 2.17 3mi0V1 GLN 415 HB3 0.01 0.03 0.04 -0.04 2.02 2.05 3mi0V1 GLN 415 HG2 0.02 -0.02 0.04 -0.04 2.40 2.40 3mi0V1 GLN 415 HG3 0.02 0.05 0.02 -0.04 2.39 2.44 3mi0V1 GLN 415 HE21 0.05 0.07 -0.06 -0.04 6.97 6.99 3mi0V1 GLN 415 HE22 0.03 0.03 0.01 -0.04 7.69 7.71 3mi0V1 SER 416 H -0.05 0.33 -0.31 -0.55 8.46 7.88 3mi0V1 SER 416 HA -0.06 0.22 0.99 -0.75 4.49 4.88 3mi0V1 SER 416 HB2 -0.04 0.05 0.17 -0.04 3.95 4.08 3mi0V1 SER 416 HB3 -0.03 -0.04 -0.04 -0.04 3.93 3.79 3mi0V1 ALA 417 H -0.19 0.28 -0.25 -0.55 8.40 7.68 3mi0V1 ALA 417 HA -0.31 0.02 0.33 -0.75 4.34 3.62 3mi0V1 ALA 417 HB3 -0.82 0.02 0.00 -0.04 1.41 0.57 3mi0V1 GLY 418 H -0.19 0.02 -0.71 -0.55 8.43 7.01 3mi0V1 GLY 418 HA2 -0.13 0.12 0.55 -0.51 4.01 4.04 3mi0V1 GLY 418 HA3 -0.10 0.08 0.17 -0.51 4.01 3.65 3mi0V1 ARG 419 H -0.12 0.60 0.33 -0.55 8.46 8.72 3mi0V1 ARG 419 HA -0.11 0.20 0.83 -0.75 4.34 4.51 3mi0V1 ARG 419 HB2 -0.63 -0.10 -0.10 -0.04 1.90 1.02 3mi0V1 ARG 419 HB3 -0.22 -0.04 -0.15 -0.04 1.80 1.35 3mi0V1 ARG 419 HG2 -0.50 0.20 -0.60 -0.04 1.67 0.72 3mi0V1 ARG 419 HG3 -1.24 -0.15 -0.22 -0.04 1.67 0.03 3mi0V1 ARG 419 HD2 -0.14 -0.09 -0.09 -0.04 3.22 2.86 3mi0V1 ARG 419 HD3 -0.17 0.23 -0.00 -0.04 3.22 3.23 3mi0V1 ILE 420 H 0.02 0.31 0.13 -0.55 8.25 8.17 3mi0V1 ILE 420 HA 0.11 0.33 0.97 -0.75 4.18 4.84 3mi0V1 ILE 420 HB 0.02 -0.04 -0.02 -0.04 1.89 1.82 3mi0V1 ILE 420 HG12 0.08 0.06 -0.14 -0.04 1.49 1.45 3mi0V1 ILE 420 HG13 0.04 -0.05 -0.60 -0.04 1.21 0.56 3mi0V1 ILE 420 HG23 0.06 -0.00 -0.27 -0.04 0.93 0.68 3mi0V1 ILE 420 HD13 0.06 -0.02 -0.47 -0.04 0.88 0.41 3mi0V1 VAL 421 H 0.16 0.79 0.29 -0.55 8.24 8.92 3mi0V1 VAL 421 HA 0.03 0.26 1.18 -0.75 4.13 4.86 3mi0V1 VAL 421 HB 0.15 -0.04 0.01 -0.04 2.12 2.20 3mi0V1 VAL 421 HG13 -0.31 0.02 -0.22 -0.04 0.97 0.42 3mi0V1 VAL 421 HG23 0.22 -0.01 -0.30 -0.04 0.95 0.82 3mi0V1 SER 422 H -0.08 0.50 0.33 -0.55 8.46 8.67 3mi0V1 SER 422 HA 0.14 0.22 1.03 -0.75 4.49 5.13 3mi0V1 SER 422 HB2 0.04 0.06 0.09 -0.04 3.95 4.10 3mi0V1 SER 422 HB3 0.04 -0.03 0.01 -0.04 3.93 3.90 3mi0V1 PHE 423 H 0.26 0.34 0.24 -0.55 8.34 8.63 3mi0V1 PHE 423 HA 0.09 0.35 1.06 -0.75 4.62 5.36 3mi0V1 PHE 423 HB2 0.02 0.04 0.05 -0.04 3.15 3.22 3mi0V1 PHE 423 HB3 0.03 0.06 -0.02 -0.04 3.06 3.09 3mi0V1 PHE 423 HD2 0.05 0.11 -0.24 -0.04 7.28 7.16 3mi0V1 PHE 423 HE2 -0.07 0.03 -0.16 -0.04 7.38 7.13 3mi0V1 PHE 423 HZ -0.17 -0.06 -0.12 -0.04 7.32 6.93 3mi0V1 ASP 424 H 0.13 0.51 0.24 -0.55 8.40 8.74 3mi0V1 ASP 424 HA 0.08 0.22 0.86 -0.75 4.63 5.03 3mi0V1 ASP 424 HB2 0.03 -0.04 0.16 -0.04 2.71 2.82 3mi0V1 ASP 424 HB3 0.02 0.07 0.01 -0.04 2.70 2.76 3mi0V1 ALA 425 H 0.05 0.16 0.13 -0.55 8.40 8.19 3mi0V1 ALA 425 HA 0.08 0.18 0.32 -0.75 4.34 4.16 3mi0V1 ALA 425 HB3 0.04 0.02 0.06 -0.04 1.41 1.49 3mi0V1 ALA 426 H 0.04 -0.03 -0.30 -0.55 8.40 7.57 3mi0V1 ALA 426 HA 0.04 0.25 0.73 -0.75 4.34 4.60 3mi0V1 ALA 426 HB3 0.02 -0.00 0.06 -0.04 1.41 1.45 3mi0V1 GLY 427 H 0.10 0.43 -0.29 -0.55 8.43 8.13 3mi0V1 GLY 427 HA2 0.16 0.07 0.31 -0.51 4.01 4.04 3mi0V1 GLY 427 HA3 0.11 0.23 0.80 -0.51 4.01 4.63 3mi0V1 GLY 428 H 0.07 -0.10 -0.13 -0.55 8.43 7.71 3mi0V1 GLY 428 HA2 -0.08 0.13 0.55 -0.51 4.01 4.09 3mi0V1 GLY 428 HA3 -0.07 -0.01 0.27 -0.51 4.01 3.69 3mi0V1 TRP 429 H -0.73 0.18 0.23 -0.55 7.97 7.10 3mi0V1 TRP 429 HA -0.44 0.40 1.10 -0.75 4.62 4.92 3mi0V1 TRP 429 HB2 -0.63 -0.05 -0.00 -0.04 3.23 2.50 3mi0V1 TRP 429 HB3 -0.63 0.05 -0.10 -0.04 3.23 2.51 3mi0V1 TRP 429 HD1 0.01 0.25 0.04 -0.04 7.22 7.48 3mi0V1 TRP 429 HE1 -0.02 0.02 -0.01 -0.04 10.20 10.15 3mi0V1 TRP 429 HE3 -0.16 -0.04 -0.37 -0.04 7.59 6.99 3mi0V1 TRP 429 HZ2 -0.03 0.01 -0.03 -0.04 7.44 7.36 3mi0V1 TRP 429 HZ3 -0.04 -0.04 -0.06 -0.04 7.13 6.95 3mi0V1 TRP 429 HH2 -0.02 0.00 -0.03 -0.04 7.19 7.10 3mi0V1 ASN 430 H -0.10 0.50 0.24 -0.55 8.53 8.63 3mi0V1 ASN 430 HA -0.10 0.13 0.72 -0.75 4.76 4.75 3mi0V1 ASN 430 HB2 -0.15 0.06 -0.22 -0.04 2.88 2.53 3mi0V1 ASN 430 HB3 -0.08 -0.07 -0.00 -0.04 2.79 2.60 3mi0V1 ASN 430 HD21 -0.05 0.02 -0.20 -0.04 7.03 6.75 3mi0V1 ASN 430 HD22 -0.05 -0.10 -0.33 -0.04 7.74 7.22 3mi0V1 ILE 431 H 0.17 0.17 0.10 -0.55 8.25 8.14 3mi0V1 ILE 431 HA 0.10 0.14 0.76 -0.75 4.18 4.43 3mi0V1 ILE 431 HB 0.13 -0.02 0.15 -0.04 1.89 2.12 3mi0V1 ILE 431 HG12 0.19 0.01 -0.07 -0.04 1.49 1.58 3mi0V1 ILE 431 HG13 0.41 -0.08 -0.05 -0.04 1.21 1.45 3mi0V1 ILE 431 HG23 0.07 0.03 -0.09 -0.04 0.93 0.89 3mi0V1 ILE 431 HD13 0.19 0.00 -0.04 -0.04 0.88 0.99 3mi0V1 GLU 432 H 0.02 0.69 0.40 -0.55 8.60 9.16 3mi0V1 GLU 432 HA -0.04 -0.03 0.40 -0.75 4.29 3.86 3mi0V1 GLU 432 HB2 -0.03 0.01 -0.00 -0.04 2.09 2.03 3mi0V1 GLU 432 HB3 -0.02 0.01 0.06 -0.04 1.99 2.00 3mi0V1 GLU 432 HG2 -0.13 0.22 -0.18 -0.04 2.34 2.21 3mi0V1 GLU 432 HG3 -0.13 -0.22 -0.25 -0.04 2.34 1.69 3mi0V1 GLU 433 H -0.07 0.08 0.24 -0.55 8.60 8.30 3mi0V1 GLU 433 HA -0.03 0.30 1.02 -0.75 4.29 4.82 3mi0V1 GLU 433 HB2 -0.04 -0.01 0.04 -0.04 2.09 2.04 3mi0V1 GLU 433 HB3 -0.02 0.02 0.14 -0.04 1.99 2.08 3mi0V1 GLU 433 HG2 -0.02 0.16 -0.08 -0.04 2.34 2.37 3mi0V1 GLU 433 HG3 -0.03 -0.03 0.05 -0.04 2.34 2.29 3mi0V1 GLU 434 H -0.15 0.02 0.08 -0.55 8.60 8.00 3mi0V1 GLU 434 HA -0.09 0.28 0.84 -0.75 4.29 4.56 3mi0V1 GLU 434 HB2 -0.31 -0.01 0.13 -0.04 2.09 1.85 3mi0V1 GLU 434 HB3 -0.24 0.06 0.19 -0.04 1.99 1.96 3mi0V1 GLU 434 HG2 -0.07 0.09 -0.04 -0.04 2.34 2.27 3mi0V1 GLU 434 HG3 -0.10 -0.13 -0.03 -0.04 2.34 2.04 3mi0V1 GLY 435 H -0.14 0.07 -0.41 -0.55 8.43 7.40 3mi0V1 GLY 435 HA2 -0.02 0.02 0.28 -0.51 4.01 3.78 3mi0V1 GLY 435 HA3 -0.34 0.28 0.73 -0.51 4.01 4.17 3mi0V1 TYR 436 H -0.61 0.19 -0.15 -0.55 8.29 7.17 3mi0V1 TYR 436 HA -0.06 0.21 0.78 -0.75 4.56 4.74 3mi0V1 TYR 436 HB2 -0.06 0.04 0.16 -0.04 3.06 3.16 3mi0V1 TYR 436 HB3 -0.22 0.05 -0.03 -0.04 2.98 2.73 3mi0V1 TYR 436 HD2 -0.59 0.01 -0.26 -0.04 7.15 6.26 3mi0V1 TYR 436 HE2 -0.13 0.02 -0.06 -0.04 6.85 6.65 3mi0V1 GLN 437 H 0.15 0.66 0.42 -0.55 8.47 9.16 3mi0V1 GLN 437 HA 0.06 0.08 0.52 -0.75 4.36 4.27 3mi0V1 GLN 437 HB2 -0.02 0.06 -0.31 -0.04 2.15 1.83 3mi0V1 GLN 437 HB3 0.05 -0.02 -0.13 -0.04 2.02 1.88 3mi0V1 GLN 437 HG2 0.02 -0.04 -0.07 -0.04 2.40 2.26 3mi0V1 GLN 437 HG3 0.05 0.02 -0.02 -0.04 2.39 2.40 3mi0V1 GLN 437 HE21 -0.04 0.00 0.03 -0.04 6.97 6.93 3mi0V1 GLN 437 HE22 -0.04 -0.05 0.01 -0.04 7.69 7.57 3mi0V1 ALA 438 H 0.07 0.29 0.21 -0.55 8.40 8.42 3mi0V1 ALA 438 HA 0.08 0.26 0.70 -0.75 4.34 4.64 3mi0V1 ALA 438 HB3 0.08 0.02 -0.00 -0.04 1.41 1.46 3mi0V1 VAL 439 H 0.07 0.52 0.34 -0.55 8.24 8.62 3mi0V1 VAL 439 HA 0.05 0.18 0.91 -0.75 4.13 4.52 3mi0V1 VAL 439 HB 0.07 -0.03 0.01 -0.04 2.12 2.13 3mi0V1 VAL 439 HG13 0.09 0.02 -0.19 -0.04 0.97 0.85 3mi0V1 VAL 439 HG23 0.08 0.02 -0.15 -0.04 0.95 0.86 3mi0V1 GLY 440 H 0.04 0.15 0.14 -0.55 8.43 8.22 3mi0V1 GLY 440 HA2 0.04 0.00 0.35 -0.51 4.01 3.89 3mi0V1 GLY 440 HA3 0.05 0.30 0.73 -0.51 4.01 4.58 3mi0V1 SER 441 H 0.04 0.26 0.22 -0.55 8.46 8.43 3mi0V1 SER 441 HA 0.03 0.03 0.41 -0.75 4.49 4.21 3mi0V1 SER 441 HB2 0.06 -0.02 0.10 -0.04 3.95 4.05 3mi0V1 SER 441 HB3 0.04 -0.02 0.15 -0.04 3.93 4.06 3mi0V1 GLY 442 H 0.07 0.45 -0.30 -0.55 8.43 8.11 3mi0V1 GLY 442 HA2 0.30 0.22 0.90 -0.51 4.01 4.92 3mi0V1 GLY 442 HA3 0.16 0.05 0.24 -0.51 4.01 3.95 3mi0V1 SER 443 H 0.04 0.61 -0.34 -0.55 8.46 8.23 3mi0V1 SER 443 HA 0.06 0.03 0.17 -0.75 4.49 4.00 3mi0V1 SER 443 HB2 0.04 0.06 -0.31 -0.04 3.95 3.69 3mi0V1 SER 443 HB3 0.05 -0.09 -0.45 -0.04 3.93 3.39 3mi0V1 LEU 444 H -0.12 0.20 -0.22 -0.55 8.37 7.69 3mi0V1 LEU 444 HA -0.07 0.08 0.45 -0.75 4.35 4.06 3mi0V1 LEU 444 HB2 -0.38 0.03 0.05 -0.04 1.64 1.31 3mi0V1 LEU 444 HB3 -0.32 0.05 -0.06 -0.04 1.64 1.28 3mi0V1 LEU 444 HG -0.11 0.02 0.00 -0.04 1.64 1.52 3mi0V1 LEU 444 HD13 -0.05 -0.00 -0.07 -0.04 0.93 0.76 3mi0V1 LEU 444 HD23 -0.14 0.02 -0.01 -0.04 0.89 0.72 3mi0V1 PHE 445 H -0.19 0.18 -0.28 -0.55 8.34 7.49 3mi0V1 PHE 445 HA 0.02 0.07 0.36 -0.75 4.62 4.32 3mi0V1 PHE 445 HB2 0.01 0.09 0.06 -0.04 3.15 3.27 3mi0V1 PHE 445 HB3 0.01 0.07 -0.11 -0.04 3.06 2.99 3mi0V1 PHE 445 HD2 0.01 -0.01 0.01 -0.04 7.28 7.25 3mi0V1 PHE 445 HE2 0.00 0.02 -0.03 -0.04 7.38 7.32 3mi0V1 PHE 445 HZ 0.00 0.01 -0.00 -0.04 7.32 7.29 3mi0V1 ALA 446 H 0.14 0.41 -0.23 -0.55 8.40 8.17 3mi0V1 ALA 446 HA 0.09 0.10 0.32 -0.75 4.34 4.09 3mi0V1 ALA 446 HB3 0.08 0.01 -0.07 -0.04 1.41 1.39 3mi0V1 LYS 447 H 0.06 0.58 -0.19 -0.55 8.42 8.32 3mi0V1 LYS 447 HA 0.06 0.02 0.42 -0.75 4.32 4.07 3mi0V1 LYS 447 HB2 0.06 0.11 0.15 -0.04 1.87 2.15 3mi0V1 LYS 447 HB3 0.15 -0.01 -0.05 -0.04 1.79 1.83 3mi0V1 LYS 447 HG2 0.30 -0.03 -0.12 -0.04 1.46 1.57 3mi0V1 LYS 447 HG3 0.11 0.03 -0.08 -0.04 1.46 1.48 3mi0V1 LYS 447 HD2 0.07 0.01 -0.03 -0.04 1.69 1.70 3mi0V1 LYS 447 HD3 0.07 -0.10 0.01 -0.04 1.68 1.61 3mi0V1 LYS 447 HE2 0.05 0.03 -0.07 -0.04 2.99 2.95 3mi0V1 LYS 447 HE3 0.02 0.01 -0.13 -0.04 2.99 2.85 3mi0V1 SER 448 H 0.05 0.56 -0.21 -0.55 8.46 8.32 3mi0V1 SER 448 HA 0.05 0.02 0.40 -0.75 4.49 4.20 3mi0V1 SER 448 HB2 0.08 0.10 0.09 -0.04 3.95 4.17 3mi0V1 SER 448 HB3 0.06 -0.03 0.04 -0.04 3.93 3.95 3mi0V1 SER 449 H 0.05 0.43 -0.36 -0.55 8.46 8.03 3mi0V1 SER 449 HA 0.03 0.06 0.50 -0.75 4.49 4.32 3mi0V1 SER 449 HB2 0.07 0.03 0.07 -0.04 3.95 4.08 3mi0V1 SER 449 HB3 0.04 0.08 0.20 -0.04 3.93 4.21 3mi0V1 MET 450 H -0.11 0.72 0.01 -0.55 8.47 8.55 3mi0V1 MET 450 HA -0.14 -0.03 0.30 -0.75 4.52 3.91 3mi0V1 MET 450 HB2 -0.78 0.08 0.06 -0.04 2.15 1.46 3mi0V1 MET 450 HB3 -0.83 -0.04 -0.01 -0.04 2.03 1.10 3mi0V1 MET 450 HG2 -0.10 -0.03 -0.09 -0.04 2.63 2.38 3mi0V1 MET 450 HG3 -0.10 0.15 0.04 -0.04 2.56 2.61 3mi0V1 MET 450 HE3 0.08 0.02 -0.23 -0.04 2.10 1.93 3mi0V1 LYS 451 H -0.12 0.47 -0.44 -0.55 8.42 7.77 3mi0V1 LYS 451 HA 0.09 0.00 0.37 -0.75 4.32 4.03 3mi0V1 LYS 451 HB2 0.12 0.06 0.10 -0.04 1.87 2.11 3mi0V1 LYS 451 HB3 0.05 0.16 0.09 -0.04 1.79 2.05 3mi0V1 LYS 451 HG2 0.08 0.00 -0.12 -0.04 1.46 1.39 3mi0V1 LYS 451 HG3 0.15 -0.04 0.06 -0.04 1.46 1.60 3mi0V1 LYS 451 HD2 0.09 -0.03 -0.01 -0.04 1.69 1.70 3mi0V1 LYS 451 HD3 0.06 0.01 -0.01 -0.04 1.68 1.71 3mi0V1 LYS 451 HE2 0.06 0.00 -0.02 -0.04 2.99 3.00 3mi0V1 LYS 451 HE3 0.07 -0.02 0.00 -0.04 2.99 3.01 3mi0V1 LYS 452 H 0.00 0.41 -0.30 -0.55 8.42 7.97 3mi0V1 LYS 452 HA 0.05 0.09 0.62 -0.75 4.32 4.32 3mi0V1 LYS 452 HB2 0.03 0.14 0.14 -0.04 1.87 2.13 3mi0V1 LYS 452 HB3 0.03 -0.06 0.06 -0.04 1.79 1.77 3mi0V1 LYS 452 HG2 0.04 0.03 0.01 -0.04 1.46 1.50 3mi0V1 LYS 452 HG3 0.04 -0.02 0.03 -0.04 1.46 1.47 3mi0V1 LYS 452 HD2 0.03 -0.02 0.03 -0.04 1.69 1.68 3mi0V1 LYS 452 HD3 0.04 0.02 0.01 -0.04 1.68 1.70 3mi0V1 LYS 452 HE2 0.04 -0.01 -0.01 -0.04 2.99 2.97 3mi0V1 LYS 452 HE3 0.03 -0.03 -0.01 -0.04 2.99 2.95 3mi0V1 LEU 453 H -0.00 0.30 -0.13 -0.55 8.37 7.99 3mi0V1 LEU 453 HA 0.02 0.19 0.81 -0.75 4.35 4.62 3mi0V1 LEU 453 HB2 0.00 0.00 -0.04 -0.04 1.64 1.57 3mi0V1 LEU 453 HB3 0.01 -0.08 0.03 -0.04 1.64 1.56 3mi0V1 LEU 453 HG 0.01 0.19 -0.07 -0.04 1.64 1.73 3mi0V1 LEU 453 HD13 0.02 -0.02 -0.14 -0.04 0.93 0.74 3mi0V1 LEU 453 HD23 0.02 0.01 -0.12 -0.04 0.89 0.76 3mi0V1 TYR 454 H 0.11 0.64 -0.06 -0.55 8.29 8.43 3mi0V1 TYR 454 HA -0.01 -0.03 0.31 -0.75 4.56 4.08 3mi0V1 TYR 454 HB2 -0.10 0.19 0.12 -0.04 3.06 3.23 3mi0V1 TYR 454 HB3 0.08 0.03 0.05 -0.04 2.98 3.11 3mi0V1 TYR 454 HD2 0.10 -0.03 -0.01 -0.04 7.15 7.17 3mi0V1 TYR 454 HE2 0.12 0.02 0.04 -0.04 6.85 6.99 3mi0V1 SER 455 H 0.05 0.20 -0.37 -0.55 8.46 7.80 3mi0V1 SER 455 HA -0.10 0.09 0.36 -0.75 4.49 4.08 3mi0V1 SER 455 HB2 -0.01 -0.02 0.08 -0.04 3.95 3.96 3mi0V1 SER 455 HB3 0.03 0.00 0.06 -0.04 3.93 3.98 3mi0V1 GLN 456 H -0.04 0.52 -0.46 -0.55 8.47 7.94 3mi0V1 GLN 456 HA -0.04 0.10 0.58 -0.75 4.36 4.24 3mi0V1 GLN 456 HB2 -0.02 0.13 0.04 -0.04 2.15 2.27 3mi0V1 GLN 456 HB3 -0.02 -0.12 0.11 -0.04 2.02 1.95 3mi0V1 GLN 456 HG2 -0.01 -0.04 -0.02 -0.04 2.40 2.29 3mi0V1 GLN 456 HG3 -0.00 -0.00 -0.03 -0.04 2.39 2.31 3mi0V1 GLN 456 HE21 0.01 -0.04 -0.02 -0.04 6.97 6.89 3mi0V1 GLN 456 HE22 0.01 0.03 0.00 -0.04 7.69 7.69 3mi0V1 VAL 457 H -0.19 0.61 -0.26 -0.55 8.24 7.85 3mi0V1 VAL 457 HA -0.05 -0.10 0.53 -0.75 4.13 3.76 3mi0V1 VAL 457 HB -0.35 0.18 0.19 -0.04 2.12 2.10 3mi0V1 VAL 457 HG13 0.08 -0.02 -0.14 -0.04 0.97 0.84 3mi0V1 VAL 457 HG23 0.05 -0.00 -0.10 -0.04 0.95 0.86 3mi0V1 THR 458 H -0.03 -0.07 0.25 -0.55 8.28 7.87 3mi0V1 THR 458 HA -0.01 0.26 0.88 -0.75 4.39 4.77 3mi0V1 THR 458 HB -0.01 -0.02 0.11 -0.04 4.32 4.37 3mi0V1 THR 458 HG23 -0.03 0.05 -0.24 -0.04 1.22 0.96 3mi0V1 ASP 459 H -0.03 0.05 0.22 -0.55 8.40 8.09 3mi0V1 ASP 459 HA 0.09 0.29 0.47 -0.75 4.63 4.73 3mi0V1 ASP 459 HB2 -0.05 -0.12 0.20 -0.04 2.71 2.70 3mi0V1 ASP 459 HB3 0.00 0.30 -0.00 -0.04 2.70 2.96 3mi0V1 GLY 460 H -0.26 0.26 0.11 -0.55 8.43 7.99 3mi0V1 GLY 460 HA2 -1.41 0.13 0.22 -0.51 4.01 2.44 3mi0V1 GLY 460 HA3 -0.48 0.12 0.27 -0.51 4.01 3.41 3mi0V1 ASP 461 H -0.15 0.13 -0.09 -0.55 8.40 7.74 3mi0V1 ASP 461 HA -0.10 0.13 0.45 -0.75 4.63 4.35 3mi0V1 ASP 461 HB2 -0.07 0.03 0.06 -0.04 2.71 2.69 3mi0V1 ASP 461 HB3 -0.07 0.02 0.01 -0.04 2.70 2.63 3mi0V1 SER 462 H -0.09 0.07 -0.19 -0.55 8.46 7.70 3mi0V1 SER 462 HA -0.04 0.11 0.46 -0.75 4.49 4.27 3mi0V1 SER 462 HB2 -0.04 0.28 0.11 -0.04 3.95 4.27 3mi0V1 SER 462 HB3 -0.04 0.04 0.12 -0.04 3.93 4.01 3mi0V1 GLY 463 H -0.13 0.43 -0.28 -0.55 8.43 7.90 3mi0V1 GLY 463 HA2 0.05 0.08 0.34 -0.51 4.01 3.97 3mi0V1 GLY 463 HA3 -0.01 0.11 0.17 -0.51 4.01 3.77 3mi0V1 LEU 464 H -0.09 0.45 -0.21 -0.55 8.37 7.98 3mi0V1 LEU 464 HA 0.01 0.02 0.33 -0.75 4.35 3.95 3mi0V1 LEU 464 HB2 -0.05 0.03 0.03 -0.04 1.64 1.61 3mi0V1 LEU 464 HB3 -0.05 0.09 0.12 -0.04 1.64 1.75 3mi0V1 LEU 464 HG -0.02 0.01 -0.34 -0.04 1.64 1.25 3mi0V1 LEU 464 HD13 0.01 -0.01 -0.11 -0.04 0.93 0.78 3mi0V1 LEU 464 HD23 -0.04 -0.01 -0.14 -0.04 0.89 0.66 3mi0V1 ARG 465 H -0.03 0.54 -0.19 -0.55 8.46 8.23 3mi0V1 ARG 465 HA -0.02 0.01 0.36 -0.75 4.34 3.94 3mi0V1 ARG 465 HB2 -0.03 0.00 0.08 -0.04 1.90 1.91 3mi0V1 ARG 465 HB3 -0.02 0.10 0.12 -0.04 1.80 1.96 3mi0V1 ARG 465 HG2 -0.02 -0.01 -0.25 -0.04 1.67 1.35 3mi0V1 ARG 465 HG3 -0.03 -0.02 -0.00 -0.04 1.67 1.57 3mi0V1 ARG 465 HD2 -0.03 0.00 -0.05 -0.04 3.22 3.10 3mi0V1 ARG 465 HD3 -0.03 -0.03 -0.03 -0.04 3.22 3.09 3mi0V1 VAL 466 H 0.01 0.58 -0.26 -0.55 8.24 8.02 3mi0V1 VAL 466 HA 0.02 0.02 0.35 -0.75 4.13 3.77 3mi0V1 VAL 466 HB 0.05 0.10 0.07 -0.04 2.12 2.31 3mi0V1 VAL 466 HG13 0.05 -0.02 -0.24 -0.04 0.97 0.73 3mi0V1 VAL 466 HG23 0.01 0.04 -0.09 -0.04 0.95 0.88 3mi0V1 ALA 467 H 0.04 0.56 -0.26 -0.55 8.40 8.20 3mi0V1 ALA 467 HA 0.06 -0.00 0.32 -0.75 4.34 3.96 3mi0V1 ALA 467 HB3 0.07 0.02 -0.04 -0.04 1.41 1.42 3mi0V1 VAL 468 H 0.03 0.58 -0.25 -0.55 8.24 8.06 3mi0V1 VAL 468 HA 0.07 0.02 0.40 -0.75 4.13 3.86 3mi0V1 VAL 468 HB 0.02 0.12 0.06 -0.04 2.12 2.28 3mi0V1 VAL 468 HG13 0.06 -0.01 -0.12 -0.04 0.97 0.85 3mi0V1 VAL 468 HG23 0.03 0.03 -0.05 -0.04 0.95 0.93 3mi0V1 GLU 469 H 0.03 0.55 -0.25 -0.55 8.60 8.39 3mi0V1 GLU 469 HA 0.07 0.02 0.45 -0.75 4.29 4.08 3mi0V1 GLU 469 HB2 -0.00 0.07 0.07 -0.04 2.09 2.18 3mi0V1 GLU 469 HB3 0.02 0.09 0.07 -0.04 1.99 2.14 3mi0V1 GLU 469 HG2 0.05 -0.02 -0.13 -0.04 2.34 2.19 3mi0V1 GLU 469 HG3 -0.00 -0.04 0.04 -0.04 2.34 2.30 3mi0V1 ALA 470 H 0.05 0.59 -0.22 -0.55 8.40 8.28 3mi0V1 ALA 470 HA 0.06 0.03 0.43 -0.75 4.34 4.10 3mi0V1 ALA 470 HB3 0.03 0.02 0.07 -0.04 1.41 1.49 3mi0V1 LEU 471 H 0.08 0.54 -0.22 -0.55 8.37 8.22 3mi0V1 LEU 471 HA 0.07 -0.03 0.37 -0.75 4.35 4.00 3mi0V1 LEU 471 HB2 0.09 0.15 0.08 -0.04 1.64 1.92 3mi0V1 LEU 471 HB3 0.07 -0.03 -0.05 -0.04 1.64 1.59 3mi0V1 LEU 471 HG 0.07 0.18 -0.03 -0.04 1.64 1.82 3mi0V1 LEU 471 HD13 0.06 -0.03 -0.31 -0.04 0.93 0.61 3mi0V1 LEU 471 HD23 0.06 -0.03 -0.16 -0.04 0.89 0.72 3mi0V1 TYR 472 H 0.19 0.44 -0.36 -0.55 8.29 8.00 3mi0V1 TYR 472 HA 0.01 0.01 0.40 -0.75 4.56 4.23 3mi0V1 TYR 472 HB2 0.03 0.05 0.12 -0.04 3.06 3.22 3mi0V1 TYR 472 HB3 0.02 0.13 0.16 -0.04 2.98 3.24 3mi0V1 TYR 472 HD2 0.02 0.02 -0.10 -0.04 7.15 7.04 3mi0V1 TYR 472 HE2 0.00 -0.00 -0.03 -0.04 6.85 6.78 3mi0V1 ASP 473 H 0.15 0.58 -0.16 -0.55 8.40 8.43 3mi0V1 ASP 473 HA 0.01 0.03 0.43 -0.75 4.63 4.36 3mi0V1 ASP 473 HB2 0.09 0.07 0.11 -0.04 2.71 2.94 3mi0V1 ASP 473 HB3 0.07 -0.04 -0.08 -0.04 2.70 2.61 3mi0V1 ALA 474 H 0.05 0.55 -0.31 -0.55 8.40 8.15 3mi0V1 ALA 474 HA 0.11 -0.05 0.39 -0.75 4.34 4.04 3mi0V1 ALA 474 HB3 0.08 -0.01 0.04 -0.04 1.41 1.48 3mi0V1 ALA 475 H -0.07 0.59 -0.22 -0.55 8.40 8.15 3mi0V1 ALA 475 HA -0.09 0.16 0.30 -0.75 4.34 3.95 3mi0V1 ALA 475 HB3 -0.15 -0.00 -0.17 -0.04 1.41 1.04 3mi0V1 ASP 476 H -0.24 0.37 -0.41 -0.55 8.40 7.57 3mi0V1 ASP 476 HA -0.24 -0.01 0.33 -0.75 4.63 3.96 3mi0V1 ASP 476 HB2 -0.30 0.15 0.13 -0.04 2.71 2.65 3mi0V1 ASP 476 HB3 -0.17 0.07 0.06 -0.04 2.70 2.62 3mi0V1 ASP 477 H -0.32 0.34 -0.38 -0.55 8.40 7.49 3mi0V1 ASP 477 HA -0.34 0.21 1.00 -0.75 4.63 4.75 3mi0V1 ASP 477 HB2 -1.39 0.04 0.06 -0.04 2.71 1.39 3mi0V1 ASP 477 HB3 -1.59 -0.09 0.07 -0.04 2.70 1.05 3mi0V1 ASP 478 H -0.22 0.58 0.03 -0.55 8.40 8.24 3mi0V1 ASP 478 HA -0.03 0.11 0.96 -0.75 4.63 4.92 3mi0V1 ASP 478 HB2 0.25 0.03 -0.02 -0.04 2.71 2.93 3mi0V1 ASP 478 HB3 0.05 0.14 0.08 -0.04 2.70 2.93 3mi0V1 SER 479 H -0.03 0.18 0.05 -0.55 8.46 8.11 3mi0V1 SER 479 HA -0.05 0.18 0.38 -0.75 4.49 4.24 3mi0V1 SER 479 HB2 -0.03 0.02 0.09 -0.04 3.95 3.99 3mi0V1 SER 479 HB3 -0.04 0.03 0.09 -0.04 3.93 3.97 3mi0V1 ALA 480 H 0.01 -0.02 -0.49 -0.55 8.40 7.36 3mi0V1 ALA 480 HA -0.00 0.16 0.59 -0.75 4.34 4.34 3mi0V1 ALA 480 HB3 0.02 -0.02 0.01 -0.04 1.41 1.38 3mi0V1 THR 481 H -0.01 0.62 -0.31 -0.55 8.28 8.03 3mi0V1 THR 481 HA 0.00 0.06 0.77 -0.75 4.39 4.47 3mi0V1 THR 481 HB -0.01 0.16 -0.17 -0.04 4.32 4.26 3mi0V1 THR 481 HG23 0.01 -0.03 -0.18 -0.04 1.22 0.98 3mi0V1 GLY 482 H -0.01 -0.06 0.14 -0.55 8.43 7.95 3mi0V1 GLY 482 HA2 -0.04 0.17 0.65 -0.51 4.01 4.28 3mi0V1 GLY 482 HA3 -0.03 -0.06 0.33 -0.51 4.01 3.75 3mi0V1 GLY 483 H -0.07 0.14 0.14 -0.55 8.43 8.09 3mi0V1 GLY 483 HA2 -0.04 0.12 0.64 -0.51 4.01 4.22 3mi0V1 GLY 483 HA3 -0.10 0.06 0.34 -0.51 4.01 3.80 3mi0V1 PRO 484 HA -0.07 0.14 0.54 -0.51 4.44 4.53 3mi0V1 PRO 484 HB2 0.17 -0.04 -0.01 -0.04 2.28 2.37 3mi0V1 PRO 484 HB3 0.38 0.02 0.04 -0.04 2.02 2.42 3mi0V1 PRO 484 HG2 0.34 0.05 0.07 -0.04 2.03 2.44 3mi0V1 PRO 484 HG3 0.26 0.05 0.09 -0.04 2.03 2.38 3mi0V1 PRO 484 HD2 0.18 0.09 0.19 -0.04 3.68 4.10 3mi0V1 PRO 484 HD3 0.14 0.13 0.20 -0.04 3.65 4.08 3mi0V1 ASP 485 H -0.46 0.80 0.28 -0.55 8.40 8.47 3mi0V1 ASP 485 HA -0.12 0.14 0.86 -0.75 4.63 4.76 3mi0V1 ASP 485 HB2 -0.13 0.17 0.06 -0.04 2.71 2.76 3mi0V1 ASP 485 HB3 -0.23 -0.07 0.28 -0.04 2.70 2.64 3mi0V1 LEU 486 H -0.06 0.29 0.03 -0.55 8.37 8.08 3mi0V1 LEU 486 HA -0.02 0.11 0.48 -0.75 4.35 4.16 3mi0V1 LEU 486 HB2 0.01 0.01 0.09 -0.04 1.64 1.71 3mi0V1 LEU 486 HB3 0.03 0.05 -0.06 -0.04 1.64 1.62 3mi0V1 LEU 486 HG 0.13 0.01 -0.01 -0.04 1.64 1.74 3mi0V1 LEU 486 HD13 0.19 0.02 -0.20 -0.04 0.93 0.90 3mi0V1 LEU 486 HD23 0.06 0.01 -0.02 -0.04 0.89 0.90 3mi0V1 VAL 487 H -0.05 0.06 -0.09 -0.55 8.24 7.62 3mi0V1 VAL 487 HA -0.01 0.14 0.50 -0.75 4.13 4.00 3mi0V1 VAL 487 HB -0.04 -0.06 0.09 -0.04 2.12 2.07 3mi0V1 VAL 487 HG13 -0.02 0.02 -0.10 -0.04 0.97 0.83 3mi0V1 VAL 487 HG23 -0.02 0.00 0.03 -0.04 0.95 0.92 3mi0V1 ARG 488 H -0.08 0.01 -0.18 -0.55 8.46 7.65 3mi0V1 ARG 488 HA -0.03 0.17 0.48 -0.75 4.34 4.20 3mi0V1 ARG 488 HB2 -0.09 -0.02 -0.00 -0.04 1.90 1.74 3mi0V1 ARG 488 HB3 -0.05 0.04 0.02 -0.04 1.80 1.77 3mi0V1 ARG 488 HG2 -0.03 0.04 -0.05 -0.04 1.67 1.59 3mi0V1 ARG 488 HG3 -0.05 -0.08 -0.04 -0.04 1.67 1.46 3mi0V1 ARG 488 HD2 -0.05 0.01 -0.02 -0.04 3.22 3.12 3mi0V1 ARG 488 HD3 -0.04 0.01 -0.03 -0.04 3.22 3.12 3mi0V1 GLY 489 H -0.12 0.10 -0.40 -0.55 8.43 7.46 3mi0V1 GLY 489 HA2 -0.04 -0.01 0.27 -0.51 4.01 3.72 3mi0V1 GLY 489 HA3 0.05 0.05 0.44 -0.51 4.01 4.03 3mi0V1 ILE 490 H -0.42 0.30 0.09 -0.55 8.25 7.66 3mi0V1 ILE 490 HA -0.10 0.18 0.96 -0.75 4.18 4.47 3mi0V1 ILE 490 HB -0.17 -0.08 0.11 -0.04 1.89 1.70 3mi0V1 ILE 490 HG12 -0.05 0.06 -0.14 -0.04 1.49 1.32 3mi0V1 ILE 490 HG13 -0.10 -0.06 -0.49 -0.04 1.21 0.53 3mi0V1 ILE 490 HG23 -0.05 0.09 0.00 -0.04 0.93 0.93 3mi0V1 ILE 490 HD13 -0.06 -0.01 -0.10 -0.04 0.88 0.68 3mi0V1 PHE 491 H 0.11 0.23 0.15 -0.55 8.34 8.28 3mi0V1 PHE 491 HA 0.01 0.15 0.96 -0.75 4.62 5.00 3mi0V1 PHE 491 HB2 0.01 0.01 -0.06 -0.04 3.15 3.06 3mi0V1 PHE 491 HB3 0.01 0.05 0.01 -0.04 3.06 3.09 3mi0V1 PHE 491 HD2 0.01 0.04 -0.14 -0.04 7.28 7.16 3mi0V1 PHE 491 HE2 0.01 0.03 -0.16 -0.04 7.38 7.21 3mi0V1 PHE 491 HZ 0.00 0.01 -0.11 -0.04 7.32 7.19 3mi0V1 PRO 492 HA 0.06 0.11 0.50 -0.51 4.44 4.60 3mi0V1 PRO 492 HB2 0.09 -0.06 -0.05 -0.04 2.28 2.22 3mi0V1 PRO 492 HB3 0.07 0.08 -0.03 -0.04 2.02 2.10 3mi0V1 PRO 492 HG2 0.12 0.02 0.01 -0.04 2.03 2.14 3mi0V1 PRO 492 HG3 0.08 0.08 0.00 -0.04 2.03 2.14 3mi0V1 PRO 492 HD2 0.25 0.07 0.14 -0.04 3.68 4.10 3mi0V1 PRO 492 HD3 0.16 0.12 0.12 -0.04 3.65 4.01 3mi0V1 THR 493 H 0.03 0.39 0.37 -0.55 8.28 8.52 3mi0V1 THR 493 HA 0.03 0.20 0.94 -0.75 4.39 4.81 3mi0V1 THR 493 HB -0.01 -0.01 0.16 -0.04 4.32 4.42 3mi0V1 THR 493 HG23 -0.00 0.03 0.04 -0.04 1.22 1.24 3mi0V1 ALA 494 H 0.02 0.28 0.27 -0.55 8.40 8.42 3mi0V1 ALA 494 HA 0.04 0.25 0.91 -0.75 4.34 4.78 3mi0V1 ALA 494 HB3 0.03 0.00 -0.11 -0.04 1.41 1.30 3mi0V1 VAL 495 H 0.05 0.71 0.38 -0.55 8.24 8.83 3mi0V1 VAL 495 HA 0.03 0.20 1.01 -0.75 4.13 4.61 3mi0V1 VAL 495 HB 0.07 -0.04 -0.01 -0.04 2.12 2.09 3mi0V1 VAL 495 HG13 0.05 0.00 -0.35 -0.04 0.97 0.64 3mi0V1 VAL 495 HG23 0.03 -0.02 -0.32 -0.04 0.95 0.60 3mi0V1 ILE 496 H 0.04 0.71 0.32 -0.55 8.25 8.77 3mi0V1 ILE 496 HA 0.12 0.27 1.14 -0.75 4.18 4.96 3mi0V1 ILE 496 HB 0.05 -0.06 -0.05 -0.04 1.89 1.78 3mi0V1 ILE 496 HG12 0.19 -0.01 -0.18 -0.04 1.49 1.45 3mi0V1 ILE 496 HG13 0.27 0.14 0.03 -0.04 1.21 1.61 3mi0V1 ILE 496 HG23 0.03 0.03 -0.08 -0.04 0.93 0.88 3mi0V1 ILE 496 HD13 -0.07 -0.03 -0.10 -0.04 0.88 0.64 3mi0V1 ILE 497 H 0.15 0.64 0.30 -0.55 8.25 8.79 3mi0V1 ILE 497 HA 0.02 0.37 0.90 -0.75 4.18 4.72 3mi0V1 ILE 497 HB 0.13 -0.04 -0.12 -0.04 1.89 1.82 3mi0V1 ILE 497 HG12 0.06 0.03 -0.56 -0.04 1.49 0.99 3mi0V1 ILE 497 HG13 0.10 0.04 -0.44 -0.04 1.21 0.88 3mi0V1 ILE 497 HG23 0.11 0.03 -0.30 -0.04 0.93 0.73 3mi0V1 ILE 497 HD13 0.12 -0.03 -0.49 -0.04 0.88 0.45 3mi0V1 ASP 498 H -0.08 0.42 0.13 -0.55 8.40 8.32 3mi0V1 ASP 498 HA -0.30 0.27 0.81 -0.75 4.63 4.66 3mi0V1 ASP 498 HB2 -0.11 0.07 0.29 -0.04 2.71 2.92 3mi0V1 ASP 498 HB3 0.06 0.00 -0.07 -0.04 2.70 2.65 3mi0V1 ALA 499 H -0.43 0.25 0.20 -0.55 8.40 7.87 3mi0V1 ALA 499 HA -0.66 0.08 0.37 -0.75 4.34 3.39 3mi0V1 ALA 499 HB3 -0.07 0.02 0.13 -0.04 1.41 1.44 3mi0V1 ASP 500 H -0.11 0.01 -0.34 -0.55 8.40 7.40 3mi0V1 ASP 500 HA 0.01 0.17 0.66 -0.75 4.63 4.71 3mi0V1 ASP 500 HB2 -0.04 -0.01 0.00 -0.04 2.71 2.62 3mi0V1 ASP 500 HB3 -0.03 0.03 0.13 -0.04 2.70 2.79 3mi0V1 GLY 501 H -0.08 0.50 -0.29 -0.55 8.43 8.01 3mi0V1 GLY 501 HA2 -0.81 0.05 0.40 -0.51 4.01 3.14 3mi0V1 GLY 501 HA3 -0.39 0.18 0.87 -0.51 4.01 4.16 3mi0V1 ALA 502 H -0.26 0.63 0.37 -0.55 8.40 8.59 3mi0V1 ALA 502 HA -0.02 0.23 0.84 -0.75 4.34 4.63 3mi0V1 ALA 502 HB3 -0.01 -0.04 -0.07 -0.04 1.41 1.24 3mi0V1 VAL 503 H 0.00 0.69 0.38 -0.55 8.24 8.76 3mi0V1 VAL 503 HA -0.01 0.11 0.81 -0.75 4.13 4.29 3mi0V1 VAL 503 HB -0.01 0.03 0.04 -0.04 2.12 2.14 3mi0V1 VAL 503 HG13 -0.04 0.01 -0.29 -0.04 0.97 0.61 3mi0V1 VAL 503 HG23 -0.00 0.00 -0.07 -0.04 0.95 0.84 3mi0V1 ASP 504 H -0.00 0.13 0.16 -0.55 8.40 8.14 3mi0V1 ASP 504 HA 0.01 0.12 0.67 -0.75 4.63 4.68 3mi0V1 ASP 504 HB2 0.00 -0.04 0.14 -0.04 2.71 2.77 3mi0V1 ASP 504 HB3 0.00 0.08 0.04 -0.04 2.70 2.78 3mi0V1 VAL 505 H 0.01 0.67 0.35 -0.55 8.24 8.73 3mi0V1 VAL 505 HA -0.00 0.11 0.62 -0.75 4.13 4.10 3mi0V1 VAL 505 HB 0.01 -0.02 0.07 -0.04 2.12 2.14 3mi0V1 VAL 505 HG13 -0.02 0.02 -0.13 -0.04 0.97 0.80 3mi0V1 VAL 505 HG23 0.01 -0.00 -0.19 -0.04 0.95 0.73 3mi0V1 PRO 506 HA -0.01 0.10 0.53 -0.51 4.44 4.55 3mi0V1 PRO 506 HB2 -0.02 -0.12 0.05 -0.04 2.28 2.15 3mi0V1 PRO 506 HB3 -0.01 0.12 0.13 -0.04 2.02 2.22 3mi0V1 PRO 506 HG2 -0.03 -0.15 0.11 -0.04 2.03 1.92 3mi0V1 PRO 506 HG3 -0.02 0.10 0.09 -0.04 2.03 2.16 3mi0V1 PRO 506 HD2 -0.02 0.05 0.23 -0.04 3.68 3.90 3mi0V1 PRO 506 HD3 -0.01 0.27 0.20 -0.04 3.65 4.07 3mi0V1 GLU 507 H 0.00 0.20 0.21 -0.55 8.60 8.46 3mi0V1 GLU 507 HA -0.00 0.15 0.38 -0.75 4.29 4.06 3mi0V1 GLU 507 HB2 0.04 0.09 0.18 -0.04 2.09 2.36 3mi0V1 GLU 507 HB3 0.02 -0.03 0.17 -0.04 1.99 2.11 3mi0V1 GLU 507 HG2 0.02 -0.08 -0.16 -0.04 2.34 2.08 3mi0V1 GLU 507 HG3 0.15 0.03 0.06 -0.04 2.34 2.54 3mi0V1 SER 508 H -0.03 0.08 -0.26 -0.55 8.46 7.70 3mi0V1 SER 508 HA -0.10 0.08 0.22 -0.75 4.49 3.94 3mi0V1 SER 508 HB2 -0.05 0.05 0.05 -0.04 3.95 3.96 3mi0V1 SER 508 HB3 -0.03 0.02 0.09 -0.04 3.93 3.96 3mi0V1 ARG 509 H -0.06 0.25 -0.19 -0.55 8.46 7.91 3mi0V1 ARG 509 HA -0.08 0.08 0.49 -0.75 4.34 4.08 3mi0V1 ARG 509 HB2 -0.05 -0.01 0.06 -0.04 1.90 1.87 3mi0V1 ARG 509 HB3 -0.05 0.09 0.02 -0.04 1.80 1.82 3mi0V1 ARG 509 HG2 -0.05 -0.01 -0.03 -0.04 1.67 1.54 3mi0V1 ARG 509 HG3 -0.05 0.01 -0.17 -0.04 1.67 1.42 3mi0V1 ARG 509 HD2 -0.06 -0.06 0.13 -0.04 3.22 3.19 3mi0V1 ARG 509 HD3 -0.05 0.02 0.02 -0.04 3.22 3.17 3mi0V1 ILE 510 H -0.09 0.36 -0.27 -0.55 8.25 7.69 3mi0V1 ILE 510 HA -0.08 0.03 0.39 -0.75 4.18 3.76 3mi0V1 ILE 510 HB -0.06 0.10 0.09 -0.04 1.89 1.98 3mi0V1 ILE 510 HG12 -0.01 -0.04 -0.13 -0.04 1.49 1.27 3mi0V1 ILE 510 HG13 -0.03 -0.08 -0.13 -0.04 1.21 0.93 3mi0V1 ILE 510 HG23 0.02 0.06 -0.15 -0.04 0.93 0.83 3mi0V1 ILE 510 HD13 0.01 0.05 -0.15 -0.04 0.88 0.75 3mi0V1 ALA 511 H -0.33 0.67 -0.05 -0.55 8.40 8.14 3mi0V1 ALA 511 HA -1.70 0.04 0.39 -0.75 4.34 2.32 3mi0V1 ALA 511 HB3 -0.66 0.02 0.01 -0.04 1.41 0.75 3mi0V1 GLU 512 H -0.21 0.49 -0.16 -0.55 8.60 8.17 3mi0V1 GLU 512 HA -0.12 0.06 0.43 -0.75 4.29 3.90 3mi0V1 GLU 512 HB2 -0.07 -0.03 0.03 -0.04 2.09 1.98 3mi0V1 GLU 512 HB3 -0.09 0.00 0.07 -0.04 1.99 1.94 3mi0V1 GLU 512 HG2 -0.11 0.27 0.26 -0.04 2.34 2.72 3mi0V1 GLU 512 HG3 -0.08 0.02 0.03 -0.04 2.34 2.27 3mi0V1 LEU 513 H -0.12 0.50 -0.22 -0.55 8.37 7.98 3mi0V1 LEU 513 HA -0.06 0.02 0.41 -0.75 4.35 3.96 3mi0V1 LEU 513 HB2 -0.07 0.10 0.15 -0.04 1.64 1.79 3mi0V1 LEU 513 HB3 -0.05 -0.04 -0.02 -0.04 1.64 1.49 3mi0V1 LEU 513 HG -0.06 0.15 0.07 -0.04 1.64 1.75 3mi0V1 LEU 513 HD13 -0.04 -0.03 -0.14 -0.04 0.93 0.68 3mi0V1 LEU 513 HD23 -0.05 -0.02 -0.01 -0.04 0.89 0.77 3mi0V1 ALA 514 H -0.12 0.56 -0.26 -0.55 8.40 8.03 3mi0V1 ALA 514 HA -0.02 0.01 0.41 -0.75 4.34 3.99 3mi0V1 ALA 514 HB3 0.11 0.02 0.10 -0.04 1.41 1.60 3mi0V1 ARG 515 H -0.06 0.58 -0.12 -0.55 8.46 8.30 3mi0V1 ARG 515 HA 0.03 0.00 0.47 -0.75 4.34 4.09 3mi0V1 ARG 515 HB2 -0.00 0.11 0.12 -0.04 1.90 2.09 3mi0V1 ARG 515 HB3 -0.04 0.08 0.12 -0.04 1.80 1.92 3mi0V1 ARG 515 HG2 -0.00 -0.02 -0.09 -0.04 1.67 1.52 3mi0V1 ARG 515 HG3 0.03 -0.04 0.04 -0.04 1.67 1.67 3mi0V1 ARG 515 HD2 -0.01 0.00 -0.03 -0.04 3.22 3.14 3mi0V1 ARG 515 HD3 0.01 -0.01 -0.03 -0.04 3.22 3.15 3mi0V1 ALA 516 H -0.06 0.58 -0.22 -0.55 8.40 8.15 3mi0V1 ALA 516 HA -0.04 -0.01 0.41 -0.75 4.34 3.95 3mi0V1 ALA 516 HB3 -0.05 0.04 0.11 -0.04 1.41 1.47 3mi0V1 ILE 517 H -0.09 0.50 -0.19 -0.55 8.25 7.92 3mi0V1 ILE 517 HA -0.13 0.00 0.40 -0.75 4.18 3.71 3mi0V1 ILE 517 HB -0.22 0.13 0.18 -0.04 1.89 1.94 3mi0V1 ILE 517 HG12 -0.09 -0.05 0.01 -0.04 1.49 1.31 3mi0V1 ILE 517 HG13 -0.08 0.12 0.05 -0.04 1.21 1.26 3mi0V1 ILE 517 HG23 -0.51 -0.02 -0.11 -0.04 0.93 0.25 3mi0V1 ILE 517 HD13 -0.05 -0.01 -0.13 -0.04 0.88 0.66 3mi0V1 ILE 518 H -0.16 0.54 -0.13 -0.55 8.25 7.95 3mi0V1 ILE 518 HA -0.18 -0.00 0.43 -0.75 4.18 3.68 3mi0V1 ILE 518 HB -0.02 0.11 0.22 -0.04 1.89 2.16 3mi0V1 ILE 518 HG12 0.11 -0.03 0.04 -0.04 1.49 1.57 3mi0V1 ILE 518 HG13 -0.12 0.12 0.10 -0.04 1.21 1.27 3mi0V1 ILE 518 HG23 0.02 -0.02 -0.10 -0.04 0.93 0.79 3mi0V1 ILE 518 HD13 0.14 -0.02 -0.05 -0.04 0.88 0.91 3mi0V1 GLU 519 H -0.05 0.77 -0.03 -0.55 8.60 8.75 3mi0V1 GLU 519 HA -0.02 -0.01 0.49 -0.75 4.29 4.00 3mi0V1 GLU 519 HB2 -0.03 0.08 0.17 -0.04 2.09 2.27 3mi0V1 GLU 519 HB3 -0.02 -0.05 0.01 -0.04 1.99 1.89 3mi0V1 GLU 519 HG2 -0.01 -0.04 0.03 -0.04 2.34 2.28 3mi0V1 GLU 519 HG3 -0.01 0.07 0.06 -0.04 2.34 2.42 3mi0V1 SER 520 H -0.05 0.68 -0.13 -0.55 8.46 8.40 3mi0V1 SER 520 HA -0.01 -0.02 0.42 -0.75 4.49 4.13 3mi0V1 SER 520 HB2 -0.05 0.14 0.18 -0.04 3.95 4.17 3mi0V1 SER 520 HB3 -0.01 -0.07 0.03 -0.04 3.93 3.84 3mi0V1 ARG 521 H -0.07 0.68 -0.03 -0.55 8.46 8.48 3mi0V1 ARG 521 HA 0.01 -0.01 0.39 -0.75 4.34 3.97 3mi0V1 ARG 521 HB2 -0.03 0.09 0.15 -0.04 1.90 2.06 3mi0V1 ARG 521 HB3 0.05 -0.05 0.00 -0.04 1.80 1.76 3mi0V1 ARG 521 HG2 -0.15 0.21 0.06 -0.04 1.67 1.74 3mi0V1 ARG 521 HG3 -0.03 -0.04 -0.03 -0.04 1.67 1.54 3mi0V1 ARG 521 HD2 0.07 -0.01 -0.01 -0.04 3.22 3.23 3mi0V1 ARG 521 HD3 0.01 -0.04 -0.02 -0.04 3.22 3.14 3mi0V1 SER 522 H -0.01 0.60 -0.18 -0.55 8.46 8.33 3mi0V1 SER 522 HA 0.11 -0.01 0.42 -0.75 4.49 4.26 3mi0V1 SER 522 HB2 0.01 0.05 0.12 -0.04 3.95 4.09 3mi0V1 SER 522 HB3 0.01 0.12 0.19 -0.04 3.93 4.22 3mi0V1 GLY 523 H -0.06 0.59 -0.06 -0.55 8.43 8.36 3mi0V1 GLY 523 HA2 -0.38 0.00 0.44 -0.51 4.01 3.57 3mi0V1 GLY 523 HA3 -0.30 0.04 0.34 -0.51 4.01 3.58 3mi0V1 ALA 524 H -0.05 0.65 -0.06 -0.55 8.40 8.39 3mi0V1 ALA 524 HA 0.19 -0.03 0.38 -0.75 4.34 4.13 3mi0V1 ALA 524 HB3 0.07 0.01 0.10 -0.04 1.41 1.55 3mi0V1 ASP 525 H 0.02 0.65 -0.19 -0.55 8.40 8.33 3mi0V1 ASP 525 HA 0.06 -0.05 0.27 -0.75 4.63 4.15 3mi0V1 ASP 525 HB2 0.09 -0.02 0.09 -0.04 2.71 2.83 3mi0V1 ASP 525 HB3 0.19 0.11 0.15 -0.04 2.70 3.11 3mi0V1 THR 526 H -0.16 0.43 -0.14 -0.55 8.28 7.86 3mi0V1 THR 526 HA -0.15 -0.01 0.47 -0.75 4.39 3.95 3mi0V1 THR 526 HB -0.48 0.11 0.18 -0.04 4.32 4.09 3mi0V1 THR 526 HG23 -0.18 -0.03 -0.07 -0.04 1.22 0.90 3mi0V1 PHE 527 H -0.20 0.50 -0.06 -0.55 8.34 8.02 3mi0V1 PHE 527 HA -0.02 -0.04 0.44 -0.75 4.62 4.24 3mi0V1 PHE 527 HB2 0.00 0.06 0.13 -0.04 3.15 3.30 3mi0V1 PHE 527 HB3 -0.00 -0.10 -0.00 -0.04 3.06 2.91 3mi0V1 PHE 527 HD2 -0.01 -0.01 -0.06 -0.04 7.28 7.16 3mi0V1 PHE 527 HE2 -0.01 -0.04 -0.05 -0.04 7.38 7.24 3mi0V1 PHE 527 HZ -0.01 -0.05 -0.02 -0.04 7.32 7.20 3mi0V1 GLY 528 H 0.12 0.53 -0.14 -0.55 8.43 8.39 3mi0V1 GLY 528 HA2 0.08 -0.04 0.49 -0.51 4.01 4.03 3mi0V1 GLY 528 HA3 0.08 -0.04 0.33 -0.51 4.01 3.87 3mi0V1 SER 529 H 0.05 0.21 0.23 -0.55 8.46 8.40 3mi0V1 SER 529 HA 0.02 0.14 0.45 -0.75 4.49 4.34 3mi0V1 SER 529 HB2 -0.02 0.03 -0.52 -0.04 3.95 3.41 3mi0V1 SER 529 HB3 0.02 0.27 -0.34 -0.04 3.93 3.83 3mi0V1 ASP 530 H -0.01 0.93 0.23 -0.55 8.40 9.01 3mi0V1 ASP 530 HA 0.06 0.13 0.85 -0.75 4.63 4.92 3mi0V1 ASP 530 HB2 0.16 -0.01 0.13 -0.04 2.71 2.95 3mi0V1 ASP 530 HB3 0.12 -0.00 0.23 -0.04 2.70 3.01 3mi0V1 GLY 531 H 0.03 0.34 0.10 -0.55 8.43 8.35 3mi0V1 GLY 531 HA2 0.02 0.03 0.30 -0.51 4.01 3.86 3mi0V1 GLY 531 HA3 0.02 0.04 0.40 -0.51 4.01 3.96 3mi0V1 GLY 532 H 0.01 0.07 -0.52 -0.55 8.43 7.44 3mi0V1 GLY 532 HA2 -0.00 0.01 0.24 -0.51 4.01 3.75 3mi0V1 GLY 532 HA3 -0.01 0.21 0.81 -0.51 4.01 4.52 3mi0V1 GLU 533 H -0.04 0.44 -0.29 -0.55 8.60 8.17 3mi0V1 GLU 533 HA -0.10 0.16 0.71 -0.75 4.29 4.30 3mi0V1 GLU 533 HB2 -0.08 0.02 0.02 -0.04 2.09 2.00 3mi0V1 GLU 533 HB3 -0.14 0.05 0.08 -0.04 1.99 1.94 3mi0V1 GLU 533 HG2 -0.23 -0.02 -0.08 -0.04 2.34 1.97 3mi0V1 GLU 533 HG3 -0.91 -0.06 -0.43 -0.04 2.34 0.89 3mi0V1 LYS 534 H -0.17 0.24 0.18 -0.55 8.42 8.11 3mi0V1 LYS 534 HA -0.14 0.09 0.93 -0.75 4.32 4.44 3mi0V1 LYS 534 HB2 0.01 -0.04 0.18 -0.04 1.87 1.98 3mi0V1 LYS 534 HB3 -0.02 0.09 0.08 -0.04 1.79 1.90 3mi0V1 LYS 534 HG2 -0.01 0.01 -0.02 -0.04 1.46 1.39 3mi0V1 LYS 534 HG3 -0.00 -0.03 -0.02 -0.04 1.46 1.37 3mi0V1 LYS 534 HD2 0.03 0.24 0.07 -0.04 1.69 1.99 3mi0V1 LYS 534 HD3 0.07 -0.14 0.06 -0.04 1.68 1.63 3mi0V1 LYS 534 HE2 0.04 -0.10 0.14 -0.04 2.99 3.03 3mi0V1 LYS 534 HE3 0.04 -0.12 0.11 -0.04 2.99 2.99 3mi0V1 HIS 535 H -0.18 0.14 0.13 -0.55 8.41 7.96 3mi0V1 HIS 535 HA -0.27 0.18 0.78 -0.75 4.63 4.56 3mi0V1 HIS 535 HB2 -0.46 0.01 0.06 -0.04 3.26 2.83 3mi0V1 HIS 535 HB3 -0.58 0.01 0.07 -0.04 3.20 2.65 3mi0V1 HIS 535 HD2 -0.10 0.02 -0.03 -0.04 6.97 6.81 3mi0V1 HIS 535 HE1 -0.01 0.03 -0.01 -0.04 7.75 7.71 3mi0V1 HIS 536 H -0.15 0.14 0.06 -0.55 8.41 7.91 3mi0V1 HIS 536 HA -0.17 0.19 0.85 -0.75 4.63 4.75 3mi0V1 HIS 536 HB2 0.03 0.01 -0.07 -0.04 3.26 3.20 3mi0V1 HIS 536 HB3 0.03 0.01 0.06 -0.04 3.20 3.27 3mi0V1 HIS 536 HD2 0.03 0.02 -0.02 -0.04 6.97 6.95 3mi0V1 HIS 536 HE1 0.01 0.01 -0.05 -0.04 7.75 7.67 3mi0V1 HIS 537 H 0.08 0.25 0.19 -0.55 8.41 8.38 3mi0V1 HIS 537 HA -0.04 0.21 0.79 -0.75 4.63 4.83 3mi0V1 HIS 537 HB2 -0.55 -0.05 -0.00 -0.04 3.26 2.62 3mi0V1 HIS 537 HB3 -0.26 0.04 -0.03 -0.04 3.20 2.90 3mi0V1 HIS 537 HD2 -0.01 -0.03 -0.10 -0.04 6.97 6.78 3mi0V1 HIS 537 HE1 -0.05 0.02 -0.07 -0.04 7.75 7.60 3mi0V1 HIS 538 H 0.03 0.24 0.04 -0.55 8.41 8.18 3mi0V1 HIS 538 HA 0.02 0.10 0.59 -0.75 4.63 4.59 3mi0V1 HIS 538 HB2 -0.03 0.03 0.21 -0.04 3.26 3.43 3mi0V1 HIS 538 HB3 -0.01 0.00 0.13 -0.04 3.20 3.29 3mi0V1 HIS 538 HD2 0.02 -0.17 -0.43 -0.04 6.97 6.34 3mi0V1 HIS 538 HE1 -0.04 0.16 0.11 -0.04 7.75 7.93 3mi0V1 HIS 539 H 0.01 0.44 -0.23 -0.55 8.41 8.09 3mi0V1 HIS 539 HA 0.07 0.05 0.05 -0.75 4.63 4.05 3mi0V1 HIS 539 HB2 0.05 0.01 0.05 -0.04 3.26 3.34 3mi0V1 HIS 539 HB3 0.05 0.01 0.04 -0.04 3.20 3.26 3mi0V1 HIS 539 HD2 0.09 0.08 0.13 -0.04 6.97 7.22 3mi0V1 HIS 539 HE1 0.12 0.01 -0.01 -0.04 7.75 7.82