============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 12 rings ring int. center anis. iso. PHE 9 1.000 -3.263 8.652 -11.167 -99.200 -91.000 PHE 11 1.000 -8.562 8.511 -16.016 -99.200 -91.000 HIS 17 0.900 -15.268 -7.486 -21.437 -99.200 -91.000 TYR 19 0.840 -4.695 -7.088 -23.537 -99.200 -91.000 PHE 40 1.000 1.395 8.252 -24.280 -99.200 -91.000 TRP 50 1.040 -5.062 -1.236 -28.124 -99.200 -91.000 TRP6 50 1.020 -5.149 -3.472 -27.415 -99.200 -91.000 TRP 59 1.040 0.050 3.939 -7.292 -99.200 -91.000 TRP6 59 1.020 -2.110 4.672 -6.737 -99.200 -91.000 HIS 62 0.900 6.119 6.333 -7.140 -99.200 -91.000 PHE 72 1.000 -4.959 0.852 -19.573 -99.200 -91.000 PHE 76 1.000 -9.426 -5.400 -20.938 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1muzA4 GLY 402 HA2 -0.09 -0.07 0.18 -0.51 4.01 3.52 1muzA4 GLY 402 HA3 -0.20 -0.14 0.25 -0.51 4.01 3.41 1muzA4 ARG 403 H -0.28 -0.01 0.09 -0.55 8.46 7.71 1muzA4 ARG 403 HA -0.06 0.08 0.49 -0.75 4.34 4.09 1muzA4 ARG 403 HB2 -0.03 -0.14 0.19 -0.04 1.90 1.88 1muzA4 ARG 403 HB3 -0.01 0.05 0.24 -0.04 1.80 2.04 1muzA4 ARG 403 HG2 -0.34 -0.04 -0.59 -0.04 1.67 0.66 1muzA4 ARG 403 HG3 -0.16 0.19 -0.01 -0.04 1.67 1.64 1muzA4 ARG 403 HD2 -2.40 -0.05 -0.14 -0.04 3.22 0.59 1muzA4 ARG 403 HD3 -0.68 -0.02 -0.26 -0.04 3.22 2.21 1muzA4 LEU 404 H -0.08 -0.04 0.21 -0.55 8.37 7.92 1muzA4 LEU 404 HA -0.12 0.26 0.91 -0.75 4.35 4.64 1muzA4 LEU 404 HB2 -0.05 -0.02 0.06 -0.04 1.64 1.60 1muzA4 LEU 404 HB3 -0.05 0.07 -0.01 -0.04 1.64 1.61 1muzA4 LEU 404 HG -0.02 -0.08 0.08 -0.04 1.64 1.59 1muzA4 LEU 404 HD13 -0.00 -0.01 -0.05 -0.04 0.93 0.84 1muzA4 LEU 404 HD23 0.01 0.01 0.03 -0.04 0.89 0.90 1muzA4 ASP 405 H -0.20 -0.05 0.17 -0.55 8.40 7.77 1muzA4 ASP 405 HA -0.11 0.22 0.96 -0.75 4.63 4.95 1muzA4 ASP 405 HB2 -0.10 -0.03 0.03 -0.04 2.71 2.57 1muzA4 ASP 405 HB3 -0.05 0.11 0.04 -0.04 2.70 2.77 1muzA4 LEU 406 H -0.06 0.11 0.11 -0.55 8.37 7.98 1muzA4 LEU 406 HA 0.17 0.18 0.72 -0.75 4.35 4.66 1muzA4 LEU 406 HB2 0.09 0.01 0.03 -0.04 1.64 1.73 1muzA4 LEU 406 HB3 0.04 -0.04 0.03 -0.04 1.64 1.64 1muzA4 LEU 406 HG -0.02 0.26 -0.33 -0.04 1.64 1.51 1muzA4 LEU 406 HD13 -0.05 -0.01 -0.06 -0.04 0.93 0.77 1muzA4 LEU 406 HD23 0.04 -0.04 -0.10 -0.04 0.89 0.75 1muzA4 PRO 407 HA 0.25 0.17 0.55 -0.51 4.44 4.89 1muzA4 PRO 407 HB2 0.05 0.05 -0.08 -0.04 2.28 2.26 1muzA4 PRO 407 HB3 0.12 0.02 0.05 -0.04 2.02 2.17 1muzA4 PRO 407 HG2 -0.25 -0.01 0.01 -0.04 2.03 1.74 1muzA4 PRO 407 HG3 -0.28 0.03 0.02 -0.04 2.03 1.76 1muzA4 PRO 407 HD2 -0.42 0.07 0.15 -0.04 3.68 3.45 1muzA4 PRO 407 HD3 0.06 0.17 0.20 -0.04 3.65 4.05 1muzA4 PRO 408 HA 0.08 0.06 0.58 -0.51 4.44 4.65 1muzA4 PRO 408 HB2 0.05 0.04 0.03 -0.04 2.28 2.36 1muzA4 PRO 408 HB3 0.06 0.03 0.11 -0.04 2.02 2.18 1muzA4 PRO 408 HG2 0.05 0.03 0.12 -0.04 2.03 2.20 1muzA4 PRO 408 HG3 0.07 0.04 0.11 -0.04 2.03 2.21 1muzA4 PRO 408 HD2 0.08 0.07 0.21 -0.04 3.68 4.00 1muzA4 PRO 408 HD3 0.17 0.20 0.27 -0.04 3.65 4.25 1muzA4 GLY 409 H 0.07 0.17 0.19 -0.55 8.43 8.30 1muzA4 GLY 409 HA2 0.02 -0.01 0.39 -0.51 4.01 3.89 1muzA4 GLY 409 HA3 0.02 0.16 0.70 -0.51 4.01 4.37 1muzA4 PHE 410 H 0.14 0.15 -0.59 -0.55 8.34 7.48 1muzA4 PHE 410 HA -0.16 -0.03 0.37 -0.75 4.62 4.04 1muzA4 PHE 410 HB2 -0.17 -0.03 0.02 -0.04 3.15 2.92 1muzA4 PHE 410 HB3 -0.09 0.06 0.04 -0.04 3.06 3.02 1muzA4 PHE 410 HD2 -0.22 -0.01 -0.21 -0.04 7.28 6.80 1muzA4 PHE 410 HE2 -0.22 -0.02 -0.19 -0.04 7.38 6.91 1muzA4 PHE 410 HZ -0.13 -0.13 -0.21 -0.04 7.32 6.80 1muzA4 MET 411 H -1.12 0.67 0.37 -0.55 8.47 7.84 1muzA4 MET 411 HA -0.46 0.22 1.04 -0.75 4.52 4.57 1muzA4 MET 411 HB2 -1.16 -0.11 0.24 -0.04 2.15 1.08 1muzA4 MET 411 HB3 -0.71 -0.06 0.04 -0.04 2.03 1.26 1muzA4 MET 411 HG2 -0.29 0.12 -0.10 -0.04 2.63 2.31 1muzA4 MET 411 HG3 -0.41 0.01 -0.24 -0.04 2.56 1.87 1muzA4 MET 411 HE3 -0.31 -0.03 -0.27 -0.04 2.10 1.45 1muzA4 PHE 412 H -1.33 0.22 0.35 -0.55 8.34 7.04 1muzA4 PHE 412 HA -0.30 0.14 0.52 -0.75 4.62 4.23 1muzA4 PHE 412 HB2 -0.06 0.09 0.23 -0.04 3.15 3.37 1muzA4 PHE 412 HB3 -0.16 0.17 -0.01 -0.04 3.06 3.02 1muzA4 PHE 412 HD2 -0.11 0.12 -0.36 -0.04 7.28 6.88 1muzA4 PHE 412 HE2 -0.06 -0.01 -0.10 -0.04 7.38 7.17 1muzA4 PHE 412 HZ -0.06 -0.02 -0.07 -0.04 7.32 7.13 1muzA4 LYS 413 H 0.31 0.22 0.24 -0.55 8.42 8.64 1muzA4 LYS 413 HA 0.15 0.13 1.04 -0.75 4.32 4.89 1muzA4 LYS 413 HB2 0.22 -0.01 0.07 -0.04 1.87 2.10 1muzA4 LYS 413 HB3 0.16 -0.01 0.06 -0.04 1.79 1.96 1muzA4 LYS 413 HG2 0.10 0.15 0.07 -0.04 1.46 1.74 1muzA4 LYS 413 HG3 0.16 -0.04 -0.07 -0.04 1.46 1.46 1muzA4 LYS 413 HD2 0.16 -0.06 -0.03 -0.04 1.69 1.72 1muzA4 LYS 413 HD3 0.14 -0.02 -0.04 -0.04 1.68 1.72 1muzA4 LYS 413 HE2 0.09 0.04 -0.20 -0.04 2.99 2.88 1muzA4 LYS 413 HE3 0.08 -0.07 0.16 -0.04 2.99 3.12 1muzA4 VAL 414 H 0.09 1.17 0.60 -0.55 8.24 9.55 1muzA4 VAL 414 HA 0.13 0.02 1.16 -0.75 4.13 4.68 1muzA4 VAL 414 HB 0.19 0.17 0.01 -0.04 2.12 2.45 1muzA4 VAL 414 HG13 0.35 0.01 -0.29 -0.04 0.97 1.00 1muzA4 VAL 414 HG23 0.05 -0.04 -0.19 -0.04 0.95 0.72 1muzA4 GLN 415 H 0.05 1.07 0.37 -0.55 8.47 9.41 1muzA4 GLN 415 HA 0.02 0.32 1.22 -0.75 4.36 5.17 1muzA4 GLN 415 HB2 0.02 -0.02 -0.07 -0.04 2.15 2.03 1muzA4 GLN 415 HB3 0.00 -0.04 0.04 -0.04 2.02 1.98 1muzA4 GLN 415 HG2 -0.02 -0.05 -0.06 -0.04 2.40 2.23 1muzA4 GLN 415 HG3 -0.03 0.20 -0.17 -0.04 2.39 2.35 1muzA4 GLN 415 HE21 0.02 -0.03 -0.09 -0.04 6.97 6.82 1muzA4 GLN 415 HE22 0.01 -0.05 -0.05 -0.04 7.69 7.56 1muzA4 ALA 416 H 0.01 0.39 0.24 -0.55 8.40 8.49 1muzA4 ALA 416 HA -0.15 0.07 0.60 -0.75 4.34 4.10 1muzA4 ALA 416 HB3 0.03 0.04 0.09 -0.04 1.41 1.52 1muzA4 GLN 417 H -0.50 0.39 0.37 -0.55 8.47 8.19 1muzA4 GLN 417 HA -0.21 0.21 0.97 -0.75 4.36 4.58 1muzA4 GLN 417 HB2 -0.14 0.05 -0.05 -0.04 2.15 1.97 1muzA4 GLN 417 HB3 -0.21 -0.00 0.09 -0.04 2.02 1.86 1muzA4 GLN 417 HG2 -0.11 0.10 -0.32 -0.04 2.40 2.03 1muzA4 GLN 417 HG3 -0.15 -0.07 -0.17 -0.04 2.39 1.96 1muzA4 GLN 417 HE21 -0.06 0.10 -0.61 -0.04 6.97 6.36 1muzA4 GLN 417 HE22 -0.03 -0.03 -0.14 -0.04 7.69 7.45 1muzA4 HIS 418 H -0.58 0.13 0.17 -0.55 8.41 7.59 1muzA4 HIS 418 HA -0.02 0.20 0.75 -0.75 4.63 4.81 1muzA4 HIS 418 HB2 -0.16 0.05 -0.02 -0.04 3.26 3.10 1muzA4 HIS 418 HB3 0.20 -0.02 0.07 -0.04 3.20 3.39 1muzA4 HIS 418 HD2 -0.22 0.00 -0.22 -0.04 6.97 6.49 1muzA4 HIS 418 HE1 -0.01 -0.02 0.01 -0.04 7.75 7.69 1muzA4 ASP 419 H 0.31 0.27 0.13 -0.55 8.40 8.56 1muzA4 ASP 419 HA 0.33 0.16 0.90 -0.75 4.63 5.27 1muzA4 ASP 419 HB2 0.13 -0.13 0.13 -0.04 2.71 2.80 1muzA4 ASP 419 HB3 0.16 0.05 0.25 -0.04 2.70 3.12 1muzA4 TYR 420 H 0.41 0.34 0.04 -0.55 8.29 8.53 1muzA4 TYR 420 HA 0.03 0.17 0.97 -0.75 4.56 4.97 1muzA4 TYR 420 HB2 -0.58 0.03 -0.04 -0.04 3.06 2.42 1muzA4 TYR 420 HB3 -1.10 -0.02 0.11 -0.04 2.98 1.92 1muzA4 TYR 420 HD2 -0.15 -0.01 0.03 -0.04 7.15 6.98 1muzA4 TYR 420 HE2 0.17 0.12 0.04 -0.04 6.85 7.14 1muzA4 THR 421 H -0.06 0.20 0.09 -0.55 8.28 7.96 1muzA4 THR 421 HA -0.22 0.03 0.60 -0.75 4.39 4.05 1muzA4 THR 421 HB -0.05 0.01 0.17 -0.04 4.32 4.40 1muzA4 THR 421 HG23 -0.07 0.01 -0.13 -0.04 1.22 0.99 1muzA4 ALA 422 H -0.36 0.17 0.21 -0.55 8.40 7.87 1muzA4 ALA 422 HA -0.29 0.17 0.90 -0.75 4.34 4.37 1muzA4 ALA 422 HB3 -0.32 0.01 -0.06 -0.04 1.41 1.00 1muzA4 THR 423 H -0.07 0.24 0.02 -0.55 8.28 7.93 1muzA4 THR 423 HA -0.04 0.20 0.95 -0.75 4.39 4.75 1muzA4 THR 423 HB -0.02 0.04 0.04 -0.04 4.32 4.34 1muzA4 THR 423 HG23 -0.05 -0.01 -0.25 -0.04 1.22 0.87 1muzA4 ASP 424 H -0.01 0.26 0.07 -0.55 8.40 8.17 1muzA4 ASP 424 HA -0.01 0.27 0.82 -0.75 4.63 4.96 1muzA4 ASP 424 HB2 -0.00 0.01 -0.22 -0.04 2.71 2.46 1muzA4 ASP 424 HB3 0.01 -0.21 -0.08 -0.04 2.70 2.38 1muzA4 THR 425 H -0.00 0.18 0.12 -0.55 8.28 8.03 1muzA4 THR 425 HA 0.00 0.18 0.61 -0.75 4.39 4.42 1muzA4 THR 425 HB -0.00 -0.01 0.09 -0.04 4.32 4.36 1muzA4 THR 425 HG23 -0.00 0.02 -0.09 -0.04 1.22 1.11 1muzA4 ASP 426 H 0.01 -0.13 -0.35 -0.55 8.40 7.39 1muzA4 ASP 426 HA 0.03 0.27 0.44 -0.75 4.63 4.62 1muzA4 ASP 426 HB2 0.02 -0.13 -0.12 -0.04 2.71 2.44 1muzA4 ASP 426 HB3 0.04 0.01 0.11 -0.04 2.70 2.82 1muzA4 GLU 427 H 0.03 0.14 -0.07 -0.55 8.60 8.16 1muzA4 GLU 427 HA 0.09 0.12 0.86 -0.75 4.29 4.60 1muzA4 GLU 427 HB2 0.02 -0.20 -0.06 -0.04 2.09 1.81 1muzA4 GLU 427 HB3 0.03 0.14 -0.20 -0.04 1.99 1.92 1muzA4 GLU 427 HG2 0.04 -0.02 -0.10 -0.04 2.34 2.21 1muzA4 GLU 427 HG3 0.06 -0.03 -0.14 -0.04 2.34 2.20 1muzA4 LEU 428 H 0.20 0.38 0.26 -0.55 8.37 8.66 1muzA4 LEU 428 HA 0.08 0.19 0.98 -0.75 4.35 4.84 1muzA4 LEU 428 HB2 0.19 -0.24 -0.20 -0.04 1.64 1.35 1muzA4 LEU 428 HB3 0.24 0.01 -0.18 -0.04 1.64 1.67 1muzA4 LEU 428 HG -0.00 0.02 -0.28 -0.04 1.64 1.34 1muzA4 LEU 428 HD13 0.03 -0.03 -0.12 -0.04 0.93 0.77 1muzA4 LEU 428 HD23 0.06 0.01 0.02 -0.04 0.89 0.94 1muzA4 GLN 429 H 0.03 0.17 0.14 -0.55 8.47 8.27 1muzA4 GLN 429 HA -0.10 0.14 0.81 -0.75 4.36 4.46 1muzA4 GLN 429 HB2 -0.03 0.09 0.16 -0.04 2.15 2.32 1muzA4 GLN 429 HB3 0.01 -0.02 0.08 -0.04 2.02 2.04 1muzA4 GLN 429 HG2 -0.01 0.02 -0.12 -0.04 2.40 2.25 1muzA4 GLN 429 HG3 -0.13 -0.03 0.24 -0.04 2.39 2.43 1muzA4 GLN 429 HE21 -0.09 0.15 0.07 -0.04 6.97 7.05 1muzA4 GLN 429 HE22 -0.05 0.01 -0.07 -0.04 7.69 7.54 1muzA4 LEU 430 H 0.06 0.53 0.34 -0.55 8.37 8.75 1muzA4 LEU 430 HA 0.17 0.14 0.91 -0.75 4.35 4.81 1muzA4 LEU 430 HB2 0.41 0.05 0.09 -0.04 1.64 2.15 1muzA4 LEU 430 HB3 0.72 0.01 -0.00 -0.04 1.64 2.32 1muzA4 LEU 430 HG 0.51 0.00 -0.16 -0.04 1.64 1.95 1muzA4 LEU 430 HD13 0.11 -0.02 -0.10 -0.04 0.93 0.88 1muzA4 LEU 430 HD23 0.16 0.07 -0.59 -0.04 0.89 0.48 1muzA4 LYS 431 H 0.16 0.17 0.12 -0.55 8.42 8.32 1muzA4 LYS 431 HA 0.17 0.06 0.93 -0.75 4.32 4.72 1muzA4 LYS 431 HB2 0.07 0.07 -0.09 -0.04 1.87 1.87 1muzA4 LYS 431 HB3 0.08 0.01 -0.20 -0.04 1.79 1.63 1muzA4 LYS 431 HG2 0.06 -0.00 -0.28 -0.04 1.46 1.20 1muzA4 LYS 431 HG3 0.04 0.08 -0.16 -0.04 1.46 1.38 1muzA4 LYS 431 HD2 0.08 -0.14 0.00 -0.04 1.69 1.60 1muzA4 LYS 431 HD3 0.05 -0.04 0.03 -0.04 1.68 1.68 1muzA4 LYS 431 HE2 0.05 0.03 -0.13 -0.04 2.99 2.89 1muzA4 LYS 431 HE3 0.04 0.02 -0.09 -0.04 2.99 2.92 1muzA4 ALA 432 H 0.12 0.04 -0.37 -0.55 8.40 7.64 1muzA4 ALA 432 HA -0.06 -0.07 -0.22 -0.75 4.34 3.24 1muzA4 ALA 432 HB3 -0.03 0.05 -0.08 -0.04 1.41 1.32 1muzA4 GLY 433 H -0.06 -0.01 -0.04 -0.55 8.43 7.77 1muzA4 GLY 433 HA2 -0.04 0.13 0.39 -0.51 4.01 3.99 1muzA4 GLY 433 HA3 -0.02 0.09 0.79 -0.51 4.01 4.36 1muzA4 ASP 434 H 0.01 -0.07 0.33 -0.55 8.40 8.12 1muzA4 ASP 434 HA 0.03 0.26 1.01 -0.75 4.63 5.18 1muzA4 ASP 434 HB2 0.07 0.03 0.16 -0.04 2.71 2.93 1muzA4 ASP 434 HB3 0.08 -0.10 0.12 -0.04 2.70 2.76 1muzA4 VAL 435 H 0.04 0.14 0.26 -0.55 8.24 8.13 1muzA4 VAL 435 HA 0.04 0.41 1.22 -0.75 4.13 5.04 1muzA4 VAL 435 HB 0.09 0.03 0.08 -0.04 2.12 2.28 1muzA4 VAL 435 HG13 0.05 0.05 -0.05 -0.04 0.97 0.99 1muzA4 VAL 435 HG23 0.06 -0.04 0.19 -0.04 0.95 1.12 1muzA4 VAL 436 H 0.01 0.71 0.31 -0.55 8.24 8.71 1muzA4 VAL 436 HA -0.05 0.16 0.97 -0.75 4.13 4.45 1muzA4 VAL 436 HB -0.21 -0.06 -0.19 -0.04 2.12 1.62 1muzA4 VAL 436 HG13 -0.69 0.02 -0.35 -0.04 0.97 -0.09 1muzA4 VAL 436 HG23 -0.12 -0.01 -0.40 -0.04 0.95 0.39 1muzA4 LEU 437 H -0.12 1.06 0.38 -0.55 8.37 9.15 1muzA4 LEU 437 HA 0.00 0.18 1.20 -0.75 4.35 4.98 1muzA4 LEU 437 HB2 -0.07 0.03 -0.09 -0.04 1.64 1.47 1muzA4 LEU 437 HB3 -0.15 -0.00 -0.04 -0.04 1.64 1.41 1muzA4 LEU 437 HG -0.16 0.14 0.10 -0.04 1.64 1.68 1muzA4 LEU 437 HD13 -1.14 0.00 -0.07 -0.04 0.93 -0.32 1muzA4 LEU 437 HD23 0.05 -0.06 -0.28 -0.04 0.89 0.57 1muzA4 VAL 438 H -0.27 0.81 0.40 -0.55 8.24 8.63 1muzA4 VAL 438 HA -0.07 0.11 0.73 -0.75 4.13 4.15 1muzA4 VAL 438 HB -1.13 -0.07 0.22 -0.04 2.12 1.09 1muzA4 VAL 438 HG13 -0.46 0.01 -0.16 -0.04 0.97 0.32 1muzA4 VAL 438 HG23 0.07 -0.02 -0.15 -0.04 0.95 0.81 1muzA4 ILE 439 H -0.09 0.57 0.40 -0.55 8.25 8.59 1muzA4 ILE 439 HA -0.16 0.13 0.81 -0.75 4.18 4.21 1muzA4 ILE 439 HB -0.01 0.12 -0.10 -0.04 1.89 1.86 1muzA4 ILE 439 HG12 -0.02 0.04 -0.31 -0.04 1.49 1.16 1muzA4 ILE 439 HG13 0.01 0.01 -0.26 -0.04 1.21 0.93 1muzA4 ILE 439 HG23 0.04 -0.04 -0.38 -0.04 0.93 0.51 1muzA4 ILE 439 HD13 -0.02 -0.00 -0.17 -0.04 0.88 0.65 1muzA4 PRO 440 HA -0.40 -0.05 0.56 -0.51 4.44 4.04 1muzA4 PRO 440 HB2 0.02 0.10 0.04 -0.04 2.28 2.40 1muzA4 PRO 440 HB3 -0.10 -0.01 0.06 -0.04 2.02 1.92 1muzA4 PRO 440 HG2 -0.00 0.09 0.14 -0.04 2.03 2.22 1muzA4 PRO 440 HG3 -0.05 0.21 0.09 -0.04 2.03 2.24 1muzA4 PRO 440 HD2 -0.02 0.11 -0.09 -0.04 3.68 3.63 1muzA4 PRO 440 HD3 -0.11 0.24 -0.48 -0.04 3.65 3.26 1muzA4 PHE 441 H -0.72 0.03 0.19 -0.55 8.34 7.29 1muzA4 PHE 441 HA 0.02 0.10 0.28 -0.75 4.62 4.27 1muzA4 PHE 441 HB2 0.01 -0.17 0.16 -0.04 3.15 3.12 1muzA4 PHE 441 HB3 0.03 0.02 0.15 -0.04 3.06 3.22 1muzA4 PHE 441 HD2 0.01 0.02 -0.18 -0.04 7.28 7.09 1muzA4 PHE 441 HE2 -0.00 0.05 -0.03 -0.04 7.38 7.35 1muzA4 PHE 441 HZ -0.01 0.03 -0.01 -0.04 7.32 7.29 1muzA4 GLN 442 H 0.15 0.09 0.14 -0.55 8.47 8.31 1muzA4 GLN 442 HA 0.08 0.22 0.59 -0.75 4.36 4.50 1muzA4 GLN 442 HB2 0.01 0.02 0.07 -0.04 2.15 2.21 1muzA4 GLN 442 HB3 0.04 0.04 0.10 -0.04 2.02 2.15 1muzA4 GLN 442 HG2 -0.02 -0.17 0.15 -0.04 2.40 2.32 1muzA4 GLN 442 HG3 -0.03 -0.00 -0.10 -0.04 2.39 2.21 1muzA4 GLN 442 HE21 -0.02 -0.04 -0.01 -0.04 6.97 6.86 1muzA4 GLN 442 HE22 0.01 0.04 -0.01 -0.04 7.69 7.68 1muzA4 ASN 443 H -0.24 0.13 0.01 -0.55 8.53 7.88 1muzA4 ASN 443 HA -0.22 0.25 0.50 -0.75 4.76 4.54 1muzA4 ASN 443 HB2 -0.13 -0.01 -0.19 -0.04 2.88 2.51 1muzA4 ASN 443 HB3 -0.20 -0.23 -0.05 -0.04 2.79 2.28 1muzA4 ASN 443 HD21 -0.04 -0.05 0.06 -0.04 7.03 6.97 1muzA4 ASN 443 HD22 -0.05 0.21 -0.10 -0.04 7.74 7.76 1muzA4 PRO 444 HA -1.07 0.10 0.56 -0.51 4.44 3.53 1muzA4 PRO 444 HB2 -0.07 0.07 0.01 -0.04 2.28 2.25 1muzA4 PRO 444 HB3 0.03 0.05 0.09 -0.04 2.02 2.15 1muzA4 PRO 444 HG2 -0.08 0.06 0.05 -0.04 2.03 2.02 1muzA4 PRO 444 HG3 -0.02 0.09 0.05 -0.04 2.03 2.11 1muzA4 PRO 444 HD2 -0.17 0.10 0.21 -0.04 3.68 3.78 1muzA4 PRO 444 HD3 -0.18 0.23 0.15 -0.04 3.65 3.81 1muzA4 GLU 445 H -0.22 0.11 -0.21 -0.55 8.60 7.73 1muzA4 GLU 445 HA -0.09 0.16 0.45 -0.75 4.29 4.06 1muzA4 GLU 445 HB2 -0.07 0.04 0.08 -0.04 2.09 2.10 1muzA4 GLU 445 HB3 -0.09 -0.01 0.07 -0.04 1.99 1.92 1muzA4 GLU 445 HG2 -0.09 0.01 -0.04 -0.04 2.34 2.18 1muzA4 GLU 445 HG3 -0.13 -0.06 -0.20 -0.04 2.34 1.91 1muzA4 GLU 446 H -0.25 0.12 -0.57 -0.55 8.60 7.35 1muzA4 GLU 446 HA -0.08 0.20 0.73 -0.75 4.29 4.39 1muzA4 GLU 446 HB2 -0.12 0.04 0.01 -0.04 2.09 1.98 1muzA4 GLU 446 HB3 -0.05 0.00 0.06 -0.04 1.99 1.96 1muzA4 GLU 446 HG2 -0.09 -0.04 -0.29 -0.04 2.34 1.88 1muzA4 GLU 446 HG3 -0.12 -0.06 -0.06 -0.04 2.34 2.06 1muzA4 GLN 447 H -0.19 0.09 -0.33 -0.55 8.47 7.50 1muzA4 GLN 447 HA 0.08 0.07 0.67 -0.75 4.36 4.43 1muzA4 GLN 447 HB2 0.12 -0.09 0.15 -0.04 2.15 2.29 1muzA4 GLN 447 HB3 0.18 0.07 0.09 -0.04 2.02 2.32 1muzA4 GLN 447 HG2 0.20 0.02 0.24 -0.04 2.40 2.81 1muzA4 GLN 447 HG3 0.44 -0.23 0.16 -0.04 2.39 2.71 1muzA4 GLN 447 HE21 0.15 0.28 0.02 -0.04 6.97 7.38 1muzA4 GLN 447 HE22 0.12 -0.26 0.03 -0.04 7.69 7.54 1muzA4 ASP 448 H 0.08 0.14 0.14 -0.55 8.40 8.22 1muzA4 ASP 448 HA -0.01 0.25 0.88 -0.75 4.63 5.00 1muzA4 ASP 448 HB2 -0.18 0.05 -0.06 -0.04 2.71 2.49 1muzA4 ASP 448 HB3 -0.16 -0.07 -0.08 -0.04 2.70 2.35 1muzA4 GLU 449 H 0.05 0.17 0.12 -0.55 8.60 8.40 1muzA4 GLU 449 HA 0.10 0.08 0.56 -0.75 4.29 4.28 1muzA4 GLU 449 HB2 0.06 0.01 0.19 -0.04 2.09 2.31 1muzA4 GLU 449 HB3 0.08 0.02 0.07 -0.04 1.99 2.11 1muzA4 GLU 449 HG2 0.05 -0.00 0.03 -0.04 2.34 2.38 1muzA4 GLU 449 HG3 0.04 0.04 0.01 -0.04 2.34 2.38 1muzA4 GLY 450 H 0.10 0.23 0.26 -0.55 8.43 8.48 1muzA4 GLY 450 HA2 -0.07 -0.01 0.34 -0.51 4.01 3.76 1muzA4 GLY 450 HA3 0.01 0.21 0.81 -0.51 4.01 4.54 1muzA4 TRP 451 H 0.32 0.58 -0.03 -0.55 7.97 8.29 1muzA4 TRP 451 HA -0.26 0.08 0.91 -0.75 4.62 4.60 1muzA4 TRP 451 HB2 -0.07 -0.04 -0.12 -0.04 3.23 2.97 1muzA4 TRP 451 HB3 -0.14 -0.01 -0.28 -0.04 3.23 2.76 1muzA4 TRP 451 HD1 -0.07 -0.05 -0.91 -0.04 7.22 6.14 1muzA4 TRP 451 HE1 -0.07 0.08 -0.11 -0.04 10.20 10.06 1muzA4 TRP 451 HE3 -0.21 -0.03 -0.22 -0.04 7.59 7.09 1muzA4 TRP 451 HZ2 -0.11 0.02 -0.06 -0.04 7.44 7.25 1muzA4 TRP 451 HZ3 -0.99 0.03 -0.05 -0.04 7.13 6.08 1muzA4 TRP 451 HH2 -0.26 0.01 -0.05 -0.04 7.19 6.86 1muzA4 LEU 452 H -0.35 0.61 0.34 -0.55 8.37 8.42 1muzA4 LEU 452 HA 0.07 0.18 0.93 -0.75 4.35 4.77 1muzA4 LEU 452 HB2 -0.17 0.11 0.05 -0.04 1.64 1.59 1muzA4 LEU 452 HB3 -0.13 0.05 0.07 -0.04 1.64 1.59 1muzA4 LEU 452 HG -0.25 -0.14 -0.24 -0.04 1.64 0.97 1muzA4 LEU 452 HD13 -0.92 -0.01 -0.08 -0.04 0.93 -0.12 1muzA4 LEU 452 HD23 -0.14 0.01 -0.08 -0.04 0.89 0.64 1muzA4 MET 453 H -0.04 0.13 0.23 -0.55 8.47 8.24 1muzA4 MET 453 HA 0.23 0.27 0.98 -0.75 4.52 5.24 1muzA4 MET 453 HB2 0.23 -0.05 0.11 -0.04 2.15 2.40 1muzA4 MET 453 HB3 0.03 -0.05 0.26 -0.04 2.03 2.22 1muzA4 MET 453 HG2 0.06 0.02 -0.29 -0.04 2.63 2.38 1muzA4 MET 453 HG3 0.11 0.14 -0.15 -0.04 2.56 2.62 1muzA4 MET 453 HE3 0.12 -0.02 -0.09 -0.04 2.10 2.07 1muzA4 GLY 454 H 0.31 0.43 0.25 -0.55 8.43 8.87 1muzA4 GLY 454 HA2 0.03 0.16 0.91 -0.51 4.01 4.60 1muzA4 GLY 454 HA3 -0.11 -0.05 0.17 -0.51 4.01 3.51 1muzA4 VAL 455 H -0.11 0.62 0.32 -0.55 8.24 8.51 1muzA4 VAL 455 HA -0.02 0.22 0.96 -0.75 4.13 4.53 1muzA4 VAL 455 HB -0.00 0.01 -0.17 -0.04 2.12 1.91 1muzA4 VAL 455 HG13 -0.07 0.04 -0.10 -0.04 0.97 0.80 1muzA4 VAL 455 HG23 0.05 -0.03 -0.10 -0.04 0.95 0.83 1muzA4 LYS 456 H 0.01 0.18 0.18 -0.55 8.42 8.24 1muzA4 LYS 456 HA -0.01 0.24 0.76 -0.75 4.32 4.55 1muzA4 LYS 456 HB2 0.03 0.06 0.23 -0.04 1.87 2.15 1muzA4 LYS 456 HB3 0.05 -0.21 0.19 -0.04 1.79 1.78 1muzA4 LYS 456 HG2 0.02 0.08 0.18 -0.04 1.46 1.71 1muzA4 LYS 456 HG3 -0.00 0.03 0.02 -0.04 1.46 1.48 1muzA4 LYS 456 HD2 0.04 -0.08 0.11 -0.04 1.69 1.71 1muzA4 LYS 456 HD3 0.05 0.06 0.11 -0.04 1.68 1.86 1muzA4 LYS 456 HE2 0.04 0.15 0.13 -0.04 2.99 3.27 1muzA4 LYS 456 HE3 0.03 -0.05 0.11 -0.04 2.99 3.05 1muzA4 GLU 457 H 0.08 0.57 0.38 -0.55 8.60 9.08 1muzA4 GLU 457 HA 0.30 0.12 0.38 -0.75 4.29 4.34 1muzA4 GLU 457 HB2 0.14 0.01 0.10 -0.04 2.09 2.30 1muzA4 GLU 457 HB3 0.09 -0.04 0.19 -0.04 1.99 2.19 1muzA4 GLU 457 HG2 0.07 0.02 -0.16 -0.04 2.34 2.23 1muzA4 GLU 457 HG3 0.20 0.01 0.04 -0.04 2.34 2.54 1muzA4 SER 458 H 0.08 0.09 -0.02 -0.55 8.46 8.05 1muzA4 SER 458 HA 0.05 0.16 0.44 -0.75 4.49 4.38 1muzA4 SER 458 HB2 0.04 -0.02 0.14 -0.04 3.95 4.07 1muzA4 SER 458 HB3 0.04 0.04 -0.01 -0.04 3.93 3.96 1muzA4 ASP 459 H 0.09 0.01 -0.27 -0.55 8.40 7.68 1muzA4 ASP 459 HA 0.07 0.10 0.34 -0.75 4.63 4.39 1muzA4 ASP 459 HB2 0.08 0.05 0.08 -0.04 2.71 2.87 1muzA4 ASP 459 HB3 0.07 0.08 -0.01 -0.04 2.70 2.81 1muzA4 TRP 460 H 0.26 0.39 -0.50 -0.55 7.97 7.58 1muzA4 TRP 460 HA 0.02 0.00 0.27 -0.75 4.62 4.16 1muzA4 TRP 460 HB2 -0.02 0.02 0.06 -0.04 3.23 3.25 1muzA4 TRP 460 HB3 -0.02 0.29 0.11 -0.04 3.23 3.57 1muzA4 TRP 460 HD1 -0.00 -0.07 0.17 -0.04 7.22 7.28 1muzA4 TRP 460 HE1 -0.22 0.04 0.02 -0.04 10.20 10.00 1muzA4 TRP 460 HE3 -0.05 -0.03 -0.03 -0.04 7.59 7.45 1muzA4 TRP 460 HZ2 -0.30 -0.00 -0.08 -0.04 7.44 7.02 1muzA4 TRP 460 HZ3 -0.06 -0.03 -0.06 -0.04 7.13 6.95 1muzA4 TRP 460 HH2 -0.17 0.00 -0.07 -0.04 7.19 6.92 1muzA4 ASN 461 H 0.12 0.41 -0.53 -0.55 8.53 7.98 1muzA4 ASN 461 HA -0.09 -0.18 0.47 -0.75 4.76 4.20 1muzA4 ASN 461 HB2 0.01 0.05 0.01 -0.04 2.88 2.91 1muzA4 ASN 461 HB3 -0.04 -0.04 0.11 -0.04 2.79 2.78 1muzA4 ASN 461 HD21 -0.17 -0.19 -0.03 -0.04 7.03 6.59 1muzA4 ASN 461 HD22 -0.06 0.08 0.08 -0.04 7.74 7.79 1muzA4 GLN 462 H 0.11 0.57 -0.43 -0.55 8.47 8.18 1muzA4 GLN 462 HA 0.06 0.11 0.57 -0.75 4.36 4.34 1muzA4 GLN 462 HB2 0.07 0.15 0.07 -0.04 2.15 2.40 1muzA4 GLN 462 HB3 0.04 -0.06 0.05 -0.04 2.02 2.02 1muzA4 GLN 462 HG2 0.05 0.05 0.02 -0.04 2.40 2.48 1muzA4 GLN 462 HG3 0.04 -0.01 -0.01 -0.04 2.39 2.37 1muzA4 GLN 462 HE21 0.02 0.00 -0.05 -0.04 6.97 6.90 1muzA4 GLN 462 HE22 0.02 0.01 -0.03 -0.04 7.69 7.65 1muzA4 HIS 463 H 0.23 0.43 -0.80 -0.55 8.41 7.72 1muzA4 HIS 463 HA 0.12 -0.06 0.28 -0.75 4.63 4.21 1muzA4 HIS 463 HB2 0.31 0.09 0.16 -0.04 3.26 3.78 1muzA4 HIS 463 HB3 0.10 -0.03 0.12 -0.04 3.20 3.35 1muzA4 HIS 463 HD2 0.04 -0.08 -0.19 -0.04 6.97 6.69 1muzA4 HIS 463 HE1 0.06 0.12 -0.31 -0.04 7.75 7.58 1muzA4 LYS 464 H 0.09 0.11 -0.83 -0.55 8.42 7.23 1muzA4 LYS 464 HA -0.02 0.03 0.36 -0.75 4.32 3.94 1muzA4 LYS 464 HB2 0.04 0.03 0.04 -0.04 1.87 1.93 1muzA4 LYS 464 HB3 0.01 0.01 -0.06 -0.04 1.79 1.71 1muzA4 LYS 464 HG2 0.02 -0.00 0.07 -0.04 1.46 1.51 1muzA4 LYS 464 HG3 0.07 -0.03 0.03 -0.04 1.46 1.48 1muzA4 LYS 464 HD2 0.02 -0.01 -0.00 -0.04 1.69 1.66 1muzA4 LYS 464 HD3 0.02 -0.02 0.01 -0.04 1.68 1.65 1muzA4 LYS 464 HE2 0.01 -0.00 0.00 -0.04 2.99 2.96 1muzA4 LYS 464 HE3 0.03 0.01 0.02 -0.04 2.99 3.01 1muzA4 LYS 465 H -0.00 1.09 -0.22 -0.55 8.42 8.73 1muzA4 LYS 465 HA -0.04 0.08 0.54 -0.75 4.32 4.14 1muzA4 LYS 465 HB2 -0.00 -0.06 0.13 -0.04 1.87 1.89 1muzA4 LYS 465 HB3 -0.01 0.13 -0.10 -0.04 1.79 1.76 1muzA4 LYS 465 HG2 0.01 -0.01 -0.08 -0.04 1.46 1.34 1muzA4 LYS 465 HG3 0.01 -0.01 0.04 -0.04 1.46 1.46 1muzA4 LYS 465 HD2 0.00 0.01 -0.05 -0.04 1.69 1.62 1muzA4 LYS 465 HD3 0.01 -0.01 -0.07 -0.04 1.68 1.57 1muzA4 LYS 465 HE2 0.01 0.00 -0.00 -0.04 2.99 2.96 1muzA4 LYS 465 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.93 1muzA4 LEU 466 H -0.05 0.35 -0.05 -0.55 8.37 8.06 1muzA4 LEU 466 HA 0.03 0.13 0.37 -0.75 4.35 4.13 1muzA4 LEU 466 HB2 0.05 -0.01 -0.11 -0.04 1.64 1.53 1muzA4 LEU 466 HB3 0.07 0.05 -0.13 -0.04 1.64 1.59 1muzA4 LEU 466 HG 0.00 -0.01 -0.22 -0.04 1.64 1.37 1muzA4 LEU 466 HD13 0.05 0.01 -0.11 -0.04 0.93 0.84 1muzA4 LEU 466 HD23 -0.11 -0.01 0.07 -0.04 0.89 0.79 1muzA4 GLU 467 H -0.02 0.16 -0.19 -0.55 8.60 8.01 1muzA4 GLU 467 HA 0.02 0.07 0.30 -0.75 4.29 3.93 1muzA4 GLU 467 HB2 -0.01 0.00 0.03 -0.04 2.09 2.07 1muzA4 GLU 467 HB3 0.00 0.04 -0.02 -0.04 1.99 1.98 1muzA4 GLU 467 HG2 0.02 0.01 0.04 -0.04 2.34 2.36 1muzA4 GLU 467 HG3 -0.01 0.01 0.02 -0.04 2.34 2.33 1muzA4 LYS 468 H 0.01 0.27 -0.93 -0.55 8.42 7.22 1muzA4 LYS 468 HA 0.01 0.19 0.88 -0.75 4.32 4.65 1muzA4 LYS 468 HB2 0.01 0.12 0.04 -0.04 1.87 2.00 1muzA4 LYS 468 HB3 0.01 -0.01 0.15 -0.04 1.79 1.90 1muzA4 LYS 468 HG2 0.00 -0.11 -0.47 -0.04 1.46 0.84 1muzA4 LYS 468 HG3 0.00 -0.00 -0.06 -0.04 1.46 1.36 1muzA4 LYS 468 HD2 0.01 0.03 0.02 -0.04 1.69 1.70 1muzA4 LYS 468 HD3 0.00 -0.01 -0.06 -0.04 1.68 1.57 1muzA4 LYS 468 HE2 0.00 -0.02 -0.01 -0.04 2.99 2.92 1muzA4 LYS 468 HE3 0.00 0.01 -0.00 -0.04 2.99 2.96 1muzA4 CYS 469 H 0.02 0.80 -0.12 -0.55 8.50 8.67 1muzA4 CYS 469 HA 0.03 0.20 0.91 -0.75 4.58 4.96 1muzA4 CYS 469 HB2 0.03 0.05 0.03 -0.04 2.97 3.05 1muzA4 CYS 469 HB3 0.04 -0.10 0.09 -0.04 2.97 2.96 1muzA4 ARG 470 H 0.03 0.05 -0.10 -0.55 8.46 7.89 1muzA4 ARG 470 HA 0.05 0.00 0.36 -0.75 4.34 4.00 1muzA4 ARG 470 HB2 0.05 0.02 -0.04 -0.04 1.90 1.89 1muzA4 ARG 470 HB3 0.07 -0.05 0.01 -0.04 1.80 1.78 1muzA4 ARG 470 HG2 0.04 0.07 -0.17 -0.04 1.67 1.56 1muzA4 ARG 470 HG3 0.03 0.06 0.05 -0.04 1.67 1.77 1muzA4 ARG 470 HD2 0.06 -0.02 -0.09 -0.04 3.22 3.12 1muzA4 ARG 470 HD3 0.04 -0.02 -0.17 -0.04 3.22 3.03 1muzA4 GLY 471 H 0.09 0.22 0.19 -0.55 8.43 8.38 1muzA4 GLY 471 HA2 0.09 0.41 0.33 -0.51 4.01 4.34 1muzA4 GLY 471 HA3 0.10 0.05 -0.08 -0.51 4.01 3.57 1muzA4 VAL 472 H 0.18 0.06 0.21 -0.55 8.24 8.14 1muzA4 VAL 472 HA 0.31 0.27 1.10 -0.75 4.13 5.05 1muzA4 VAL 472 HB 0.14 -0.02 0.05 -0.04 2.12 2.25 1muzA4 VAL 472 HG13 0.22 -0.02 -0.22 -0.04 0.97 0.91 1muzA4 VAL 472 HG23 0.15 0.02 -0.20 -0.04 0.95 0.88 1muzA4 PHE 473 H 0.26 0.66 0.34 -0.55 8.34 9.05 1muzA4 PHE 473 HA 0.25 0.18 0.67 -0.75 4.62 4.97 1muzA4 PHE 473 HB2 0.13 0.04 -0.07 -0.04 3.15 3.21 1muzA4 PHE 473 HB3 0.17 0.06 -0.38 -0.04 3.06 2.87 1muzA4 PHE 473 HD2 0.13 0.05 -0.23 -0.04 7.28 7.18 1muzA4 PHE 473 HE2 0.02 0.04 -0.47 -0.04 7.38 6.92 1muzA4 PHE 473 HZ -0.03 0.01 -0.27 -0.04 7.32 6.99 1muzA4 PRO 474 HA -0.83 0.25 0.86 -0.51 4.44 4.22 1muzA4 PRO 474 HB2 -0.91 -0.08 0.03 -0.04 2.28 1.27 1muzA4 PRO 474 HB3 -2.95 0.10 0.06 -0.04 2.02 -0.82 1muzA4 PRO 474 HG2 -1.17 0.01 0.07 -0.04 2.03 0.90 1muzA4 PRO 474 HG3 -1.97 0.08 0.04 -0.04 2.03 0.14 1muzA4 PRO 474 HD2 -0.45 0.11 0.16 -0.04 3.68 3.46 1muzA4 PRO 474 HD3 -0.41 0.18 0.17 -0.04 3.65 3.55 1muzA4 GLU 475 H -0.45 0.32 0.25 -0.55 8.60 8.18 1muzA4 GLU 475 HA -0.12 0.09 0.34 -0.75 4.29 3.85 1muzA4 GLU 475 HB2 -0.27 0.02 -0.00 -0.04 2.09 1.79 1muzA4 GLU 475 HB3 -0.20 -0.01 0.03 -0.04 1.99 1.77 1muzA4 GLU 475 HG2 -0.06 0.02 -0.21 -0.04 2.34 2.04 1muzA4 GLU 475 HG3 -0.01 0.03 -0.11 -0.04 2.34 2.21 1muzA4 ASN 476 H -0.28 0.20 -0.05 -0.55 8.53 7.85 1muzA4 ASN 476 HA -0.09 0.13 0.39 -0.75 4.76 4.44 1muzA4 ASN 476 HB2 -0.12 0.03 0.09 -0.04 2.88 2.84 1muzA4 ASN 476 HB3 -0.14 -0.01 0.11 -0.04 2.79 2.70 1muzA4 ASN 476 HD21 -0.71 0.03 0.08 -0.04 7.03 6.39 1muzA4 ASN 476 HD22 -0.31 -0.07 0.17 -0.04 7.74 7.49 1muzA4 PHE 477 H -0.04 0.18 -0.96 -0.55 8.34 6.97 1muzA4 PHE 477 HA -0.10 0.18 0.77 -0.75 4.62 4.71 1muzA4 PHE 477 HB2 -0.29 -0.03 -0.01 -0.04 3.15 2.78 1muzA4 PHE 477 HB3 -0.38 0.07 0.03 -0.04 3.06 2.73 1muzA4 PHE 477 HD2 0.02 0.17 -0.18 -0.04 7.28 7.25 1muzA4 PHE 477 HE2 0.20 -0.10 -0.46 -0.04 7.38 6.98 1muzA4 PHE 477 HZ 0.20 -0.02 -0.17 -0.04 7.32 7.28 1muzA4 THR 478 H 0.02 0.52 -0.25 -0.55 8.28 8.02 1muzA4 THR 478 HA -0.20 -0.05 0.90 -0.75 4.39 4.29 1muzA4 THR 478 HB 0.19 -0.03 -0.12 -0.04 4.32 4.31 1muzA4 THR 478 HG23 0.30 0.01 -0.23 -0.04 1.22 1.26 1muzA4 GLU 479 H 0.01 0.44 0.16 -0.55 8.60 8.67 1muzA4 GLU 479 HA -0.00 0.21 0.99 -0.75 4.29 4.73 1muzA4 GLU 479 HB2 -0.04 0.01 -0.07 -0.04 2.09 1.95 1muzA4 GLU 479 HB3 -0.02 -0.02 -0.02 -0.04 1.99 1.89 1muzA4 GLU 479 HG2 -0.03 -0.09 0.16 -0.04 2.34 2.34 1muzA4 GLU 479 HG3 -0.03 0.01 0.01 -0.04 2.34 2.29 1muzA4 ARG 480 H -0.02 0.17 0.15 -0.55 8.46 8.20 1muzA4 ARG 480 HA 0.06 0.07 0.73 -0.75 4.34 4.45 1muzA4 ARG 480 HB2 -0.16 -0.01 0.08 -0.04 1.90 1.77 1muzA4 ARG 480 HB3 -0.43 0.09 -0.01 -0.04 1.80 1.41 1muzA4 ARG 480 HG2 0.08 -0.03 -0.12 -0.04 1.67 1.56 1muzA4 ARG 480 HG3 -0.05 0.01 0.02 -0.04 1.67 1.61 1muzA4 ARG 480 HD2 -0.73 0.05 -0.05 -0.04 3.22 2.45 1muzA4 ARG 480 HD3 0.15 -0.02 -0.07 -0.04 3.22 3.24 1muzA4 VAL 481 H 0.04 0.61 0.50 -0.55 8.24 8.83 1muzA4 VAL 481 HA -0.01 0.19 0.86 -0.75 4.13 4.41 1muzA4 VAL 481 HB 0.08 0.11 -0.14 -0.04 2.12 2.13 1muzA4 VAL 481 HG13 0.04 -0.03 -0.11 -0.04 0.97 0.83 1muzA4 VAL 481 HG23 0.04 -0.04 -0.30 -0.04 0.95 0.61 1muzA4 PRO 482 HA -0.06 0.16 0.34 -0.51 4.44 4.37 1muzA4 PRO 482 HB2 -0.01 0.02 0.07 -0.04 2.28 2.33 1muzA4 PRO 482 HB3 -0.04 0.03 0.04 -0.04 2.02 2.02 1muzA4 PRO 482 HG2 -0.01 0.02 0.07 -0.04 2.03 2.07 1muzA4 PRO 482 HG3 -0.02 0.05 0.06 -0.04 2.03 2.07 1muzA4 PRO 482 HD2 0.00 0.08 0.15 -0.04 3.68 3.87 1muzA4 PRO 482 HD3 -0.03 0.23 0.23 -0.04 3.65 4.04