============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 9 rings ring int. center anis. iso. HIS 42 0.900 -1.990 -14.337 2.286 -99.200 -91.000 PHE 46 1.000 -8.318 -5.894 1.128 -99.200 -91.000 HIS 59 0.900 -2.856 4.349 -6.830 -99.200 -91.000 PHE 77 1.000 -3.643 -0.051 -14.991 -99.200 -91.000 PHE 96 1.000 -0.385 -8.570 -4.030 -99.200 -91.000 HIS 105 0.900 -0.636 -13.466 -12.646 -99.200 -91.000 PHE 149 1.000 -8.818 15.662 4.002 -99.200 -91.000 HIS 161 0.900 -10.922 -6.647 6.124 -99.200 -91.000 HIS 164 0.900 -17.080 5.773 -2.093 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2bprA7 SER 381 H 0.00 -0.02 0.07 -0.55 8.46 7.97 2bprA7 SER 381 HA 0.00 -0.08 0.18 -0.75 4.49 3.84 2bprA7 SER 381 HB2 0.00 0.01 0.11 -0.04 3.95 4.03 2bprA7 SER 381 HB3 0.00 0.02 0.05 -0.04 3.93 3.96 2bprA7 ILE 382 H 0.00 0.09 0.10 -0.55 8.25 7.89 2bprA7 ILE 382 HA 0.00 0.22 0.73 -0.75 4.18 4.38 2bprA7 ILE 382 HB 0.00 0.02 0.11 -0.04 1.89 1.99 2bprA7 ILE 382 HG12 0.00 0.01 0.02 -0.04 1.49 1.48 2bprA7 ILE 382 HG13 0.00 -0.07 0.01 -0.04 1.21 1.11 2bprA7 ILE 382 HG23 0.00 0.00 -0.02 -0.04 0.93 0.87 2bprA7 ILE 382 HD13 0.00 0.01 -0.11 -0.04 0.88 0.74 2bprA7 GLU 383 H 0.00 -0.07 -0.17 -0.55 8.60 7.81 2bprA7 GLU 383 HA 0.00 0.16 0.56 -0.75 4.29 4.25 2bprA7 GLU 383 HB2 0.00 -0.02 0.06 -0.04 2.09 2.08 2bprA7 GLU 383 HB3 0.00 -0.03 0.13 -0.04 1.99 2.05 2bprA7 GLU 383 HG2 0.00 0.01 -0.26 -0.04 2.34 2.05 2bprA7 GLU 383 HG3 0.00 0.05 -0.09 -0.04 2.34 2.27 2bprA7 GLY 384 H 0.00 0.34 0.16 -0.55 8.43 8.39 2bprA7 GLY 384 HA2 0.00 0.01 0.54 -0.51 4.01 4.05 2bprA7 GLY 384 HA3 0.00 0.16 0.31 -0.51 4.01 3.97 2bprA7 ARG 385 H 0.00 0.13 0.21 -0.55 8.46 8.25 2bprA7 ARG 385 HA 0.00 0.11 0.56 -0.75 4.34 4.26 2bprA7 ARG 385 HB2 0.00 0.06 0.11 -0.04 1.90 2.02 2bprA7 ARG 385 HB3 0.00 -0.05 0.18 -0.04 1.80 1.89 2bprA7 ARG 385 HG2 0.00 -0.01 -0.08 -0.04 1.67 1.54 2bprA7 ARG 385 HG3 0.00 0.02 0.06 -0.04 1.67 1.71 2bprA7 ARG 385 HD2 0.00 0.02 0.03 -0.04 3.22 3.23 2bprA7 ARG 385 HD3 0.00 -0.04 0.03 -0.04 3.22 3.17 2bprA7 VAL 386 H 0.00 0.16 0.14 -0.55 8.24 7.99 2bprA7 VAL 386 HA 0.01 0.18 0.45 -0.75 4.13 4.01 2bprA7 VAL 386 HB 0.00 0.04 -0.23 -0.04 2.12 1.89 2bprA7 VAL 386 HG13 0.01 0.01 -0.33 -0.04 0.97 0.62 2bprA7 VAL 386 HG23 0.00 -0.02 -0.01 -0.04 0.95 0.88 2bprA7 LYS 387 H 0.01 0.39 -0.63 -0.55 8.42 7.62 2bprA7 LYS 387 HA 0.01 0.12 0.81 -0.75 4.32 4.50 2bprA7 LYS 387 HB2 0.01 0.02 -0.18 -0.04 1.87 1.67 2bprA7 LYS 387 HB3 0.01 -0.05 0.08 -0.04 1.79 1.79 2bprA7 LYS 387 HG2 0.01 -0.02 -0.19 -0.04 1.46 1.22 2bprA7 LYS 387 HG3 0.01 -0.00 0.05 -0.04 1.46 1.47 2bprA7 LYS 387 HD2 0.01 -0.03 0.01 -0.04 1.69 1.64 2bprA7 LYS 387 HD3 0.01 0.13 0.09 -0.04 1.68 1.87 2bprA7 LYS 387 HE2 0.00 -0.04 0.04 -0.04 2.99 2.95 2bprA7 LYS 387 HE3 0.00 -0.00 -0.02 -0.04 2.99 2.93 2bprA7 ASP 388 H 0.01 0.19 -0.08 -0.55 8.40 7.98 2bprA7 ASP 388 HA 0.01 -0.12 0.42 -0.75 4.63 4.18 2bprA7 ASP 388 HB2 0.01 0.07 -0.14 -0.04 2.71 2.60 2bprA7 ASP 388 HB3 0.01 0.04 0.13 -0.04 2.70 2.84 2bprA7 VAL 389 H 0.01 0.09 0.02 -0.55 8.24 7.81 2bprA7 VAL 389 HA 0.01 0.45 0.62 -0.75 4.13 4.46 2bprA7 VAL 389 HB 0.01 0.09 -0.15 -0.04 2.12 2.04 2bprA7 VAL 389 HG13 0.01 -0.03 0.05 -0.04 0.97 0.96 2bprA7 VAL 389 HG23 0.01 0.01 -0.05 -0.04 0.95 0.88 2bprA7 LEU 390 H 0.01 0.16 -0.32 -0.55 8.37 7.67 2bprA7 LEU 390 HA 0.01 0.26 0.59 -0.75 4.35 4.46 2bprA7 LEU 390 HB2 0.01 0.07 -0.28 -0.04 1.64 1.40 2bprA7 LEU 390 HB3 0.01 -0.22 0.08 -0.04 1.64 1.47 2bprA7 LEU 390 HG 0.00 -0.01 0.01 -0.04 1.64 1.60 2bprA7 LEU 390 HD13 0.01 -0.01 -0.10 -0.04 0.93 0.79 2bprA7 LEU 390 HD23 0.01 0.03 0.07 -0.04 0.89 0.96 2bprA7 LEU 391 H 0.01 0.04 0.01 -0.55 8.37 7.89 2bprA7 LEU 391 HA 0.01 0.42 0.92 -0.75 4.35 4.94 2bprA7 LEU 391 HB2 0.01 0.14 -0.06 -0.04 1.64 1.69 2bprA7 LEU 391 HB3 0.01 -0.05 0.19 -0.04 1.64 1.74 2bprA7 LEU 391 HG 0.01 0.00 -0.00 -0.04 1.64 1.61 2bprA7 LEU 391 HD13 0.01 0.06 0.02 -0.04 0.93 0.98 2bprA7 LEU 391 HD23 0.00 0.02 0.02 -0.04 0.89 0.89 2bprA7 LEU 392 H 0.01 0.27 0.18 -0.55 8.37 8.27 2bprA7 LEU 392 HA 0.01 0.20 0.48 -0.75 4.35 4.28 2bprA7 LEU 392 HB2 0.00 -0.00 0.13 -0.04 1.64 1.74 2bprA7 LEU 392 HB3 0.00 0.04 0.11 -0.04 1.64 1.76 2bprA7 LEU 392 HG 0.00 0.03 0.04 -0.04 1.64 1.67 2bprA7 LEU 392 HD13 0.00 0.00 0.05 -0.04 0.93 0.95 2bprA7 LEU 392 HD23 0.00 0.02 -0.05 -0.04 0.89 0.83 2bprA7 ASP 393 H 0.01 0.03 -0.77 -0.55 8.40 7.13 2bprA7 ASP 393 HA 0.01 0.29 0.73 -0.75 4.63 4.90 2bprA7 ASP 393 HB2 0.01 -0.24 -0.02 -0.04 2.71 2.42 2bprA7 ASP 393 HB3 0.01 0.06 0.03 -0.04 2.70 2.75 2bprA7 VAL 394 H 0.01 -0.21 -0.47 -0.55 8.24 7.03 2bprA7 VAL 394 HA 0.01 0.16 0.36 -0.75 4.13 3.91 2bprA7 VAL 394 HB 0.01 0.08 0.23 -0.04 2.12 2.40 2bprA7 VAL 394 HG13 0.01 0.02 -0.18 -0.04 0.97 0.77 2bprA7 VAL 394 HG23 0.01 0.05 -0.30 -0.04 0.95 0.67 2bprA7 THR 395 H 0.02 0.44 0.24 -0.55 8.28 8.44 2bprA7 THR 395 HA 0.03 0.11 0.54 -0.75 4.39 4.32 2bprA7 THR 395 HB 0.05 -0.02 0.00 -0.04 4.32 4.31 2bprA7 THR 395 HG23 0.04 0.00 -0.24 -0.04 1.22 0.98 2bprA7 PRO 396 HA 0.01 0.22 0.13 -0.51 4.44 4.30 2bprA7 PRO 396 HB2 0.01 0.18 0.03 -0.04 2.28 2.47 2bprA7 PRO 396 HB3 0.01 0.04 -0.03 -0.04 2.02 2.00 2bprA7 PRO 396 HG2 0.02 0.06 -0.12 -0.04 2.03 1.95 2bprA7 PRO 396 HG3 0.02 -0.04 0.01 -0.04 2.03 1.98 2bprA7 PRO 396 HD2 0.03 0.08 0.14 -0.04 3.68 3.89 2bprA7 PRO 396 HD3 0.02 0.16 0.24 -0.04 3.65 4.03 2bprA7 LEU 397 H 0.02 0.12 -0.51 -0.55 8.37 7.45 2bprA7 LEU 397 HA 0.01 0.08 0.60 -0.75 4.35 4.29 2bprA7 LEU 397 HB2 0.02 -0.07 -0.09 -0.04 1.64 1.46 2bprA7 LEU 397 HB3 0.02 -0.04 -0.26 -0.04 1.64 1.31 2bprA7 LEU 397 HG 0.01 0.18 -0.21 -0.04 1.64 1.58 2bprA7 LEU 397 HD13 0.02 -0.01 -0.13 -0.04 0.93 0.76 2bprA7 LEU 397 HD23 0.01 -0.08 0.11 -0.04 0.89 0.89 2bprA7 SER 398 H 0.01 0.22 0.13 -0.55 8.46 8.27 2bprA7 SER 398 HA 0.00 -0.02 0.49 -0.75 4.49 4.21 2bprA7 SER 398 HB2 -0.01 0.06 -0.02 -0.04 3.95 3.94 2bprA7 SER 398 HB3 -0.02 -0.03 0.06 -0.04 3.93 3.89 2bprA7 LEU 399 H -0.00 0.50 0.34 -0.55 8.37 8.66 2bprA7 LEU 399 HA 0.05 0.28 0.49 -0.75 4.35 4.42 2bprA7 LEU 399 HB2 0.21 -0.09 0.24 -0.04 1.64 1.96 2bprA7 LEU 399 HB3 0.33 0.01 0.00 -0.04 1.64 1.94 2bprA7 LEU 399 HG 0.10 0.14 -0.14 -0.04 1.64 1.69 2bprA7 LEU 399 HD13 0.12 -0.05 -0.07 -0.04 0.93 0.88 2bprA7 LEU 399 HD23 0.17 -0.01 -0.08 -0.04 0.89 0.92 2bprA7 GLY 400 H -0.05 0.55 0.19 -0.55 8.43 8.57 2bprA7 GLY 400 HA2 -0.20 0.16 0.84 -0.51 4.01 4.31 2bprA7 GLY 400 HA3 -0.15 0.08 0.30 -0.51 4.01 3.73 2bprA7 ILE 401 H -0.13 0.66 0.27 -0.55 8.25 8.50 2bprA7 ILE 401 HA -0.05 0.23 0.87 -0.75 4.18 4.47 2bprA7 ILE 401 HB -0.20 -0.06 -0.05 -0.04 1.89 1.54 2bprA7 ILE 401 HG12 -0.32 -0.12 -0.44 -0.04 1.49 0.57 2bprA7 ILE 401 HG13 -0.37 0.01 -0.12 -0.04 1.21 0.69 2bprA7 ILE 401 HG23 -0.06 0.10 0.07 -0.04 0.93 1.00 2bprA7 ILE 401 HD13 -0.04 0.03 -0.10 -0.04 0.88 0.73 2bprA7 GLU 402 H -0.10 0.44 0.19 -0.55 8.60 8.58 2bprA7 GLU 402 HA -0.11 0.06 0.77 -0.75 4.29 4.26 2bprA7 GLU 402 HB2 -0.40 0.00 0.04 -0.04 2.09 1.69 2bprA7 GLU 402 HB3 -0.17 0.01 0.11 -0.04 1.99 1.90 2bprA7 GLU 402 HG2 -0.12 0.02 0.03 -0.04 2.34 2.23 2bprA7 GLU 402 HG3 -0.20 -0.03 -0.04 -0.04 2.34 2.03 2bprA7 THR 403 H -0.04 0.56 0.33 -0.55 8.28 8.58 2bprA7 THR 403 HA 0.00 0.20 0.88 -0.75 4.39 4.72 2bprA7 THR 403 HB 0.02 0.13 0.10 -0.04 4.32 4.53 2bprA7 THR 403 HG23 -0.02 0.04 -0.19 -0.04 1.22 1.01 2bprA7 MET 404 H 0.03 0.19 0.17 -0.55 8.47 8.31 2bprA7 MET 404 HA 0.04 0.03 0.37 -0.75 4.52 4.20 2bprA7 MET 404 HB2 0.03 -0.07 0.21 -0.04 2.15 2.28 2bprA7 MET 404 HB3 0.02 0.22 0.06 -0.04 2.03 2.29 2bprA7 MET 404 HG2 0.08 0.16 0.15 -0.04 2.63 2.98 2bprA7 MET 404 HG3 0.07 -0.00 0.19 -0.04 2.56 2.77 2bprA7 MET 404 HE3 0.06 0.04 -0.20 -0.04 2.10 1.96 2bprA7 GLY 405 H 0.03 0.17 0.20 -0.55 8.43 8.29 2bprA7 GLY 405 HA2 0.01 -0.03 0.22 -0.51 4.01 3.69 2bprA7 GLY 405 HA3 0.00 0.16 0.77 -0.51 4.01 4.44 2bprA7 GLY 406 H 0.03 0.22 0.16 -0.55 8.43 8.30 2bprA7 GLY 406 HA2 0.02 0.04 0.30 -0.51 4.01 3.86 2bprA7 GLY 406 HA3 0.05 0.16 0.71 -0.51 4.01 4.43 2bprA7 VAL 407 H -0.00 0.34 0.06 -0.55 8.24 8.09 2bprA7 VAL 407 HA -0.01 0.03 0.74 -0.75 4.13 4.14 2bprA7 VAL 407 HB -0.01 0.01 -0.26 -0.04 2.12 1.83 2bprA7 VAL 407 HG13 -0.01 -0.00 -0.08 -0.04 0.97 0.83 2bprA7 VAL 407 HG23 0.00 0.04 -0.53 -0.04 0.95 0.43 2bprA7 MET 408 H -0.02 0.07 0.02 -0.55 8.47 7.99 2bprA7 MET 408 HA -0.05 0.25 0.91 -0.75 4.52 4.88 2bprA7 MET 408 HB2 -0.04 0.01 -0.24 -0.04 2.15 1.84 2bprA7 MET 408 HB3 -0.02 -0.13 -0.09 -0.04 2.03 1.74 2bprA7 MET 408 HG2 -0.05 0.13 -0.20 -0.04 2.63 2.47 2bprA7 MET 408 HG3 -0.03 0.15 -0.19 -0.04 2.56 2.44 2bprA7 MET 408 HE3 -0.03 0.02 -0.30 -0.04 2.10 1.75 2bprA7 THR 409 H -0.05 0.52 0.19 -0.55 8.28 8.39 2bprA7 THR 409 HA -0.02 0.10 0.87 -0.75 4.39 4.59 2bprA7 THR 409 HB -0.05 0.04 0.10 -0.04 4.32 4.38 2bprA7 THR 409 HG23 0.07 0.04 -0.00 -0.04 1.22 1.29 2bprA7 THR 410 H -0.02 0.13 0.10 -0.55 8.28 7.94 2bprA7 THR 410 HA -0.08 0.05 0.55 -0.75 4.39 4.15 2bprA7 THR 410 HB -0.04 0.19 -0.08 -0.04 4.32 4.35 2bprA7 THR 410 HG23 -0.03 0.00 -0.17 -0.04 1.22 0.98 2bprA7 LEU 411 H -0.22 0.08 -0.73 -0.55 8.37 6.96 2bprA7 LEU 411 HA -0.16 0.24 0.66 -0.75 4.35 4.33 2bprA7 LEU 411 HB2 -1.14 0.33 0.26 -0.04 1.64 1.05 2bprA7 LEU 411 HB3 -0.92 -0.03 -0.05 -0.04 1.64 0.60 2bprA7 LEU 411 HG -0.31 -0.11 -0.18 -0.04 1.64 1.00 2bprA7 LEU 411 HD13 -0.04 0.01 -0.09 -0.04 0.93 0.78 2bprA7 LEU 411 HD23 -0.00 0.01 -0.03 -0.04 0.89 0.83 2bprA7 ILE 412 H -0.38 0.18 0.15 -0.55 8.25 7.64 2bprA7 ILE 412 HA -0.08 0.22 0.59 -0.75 4.18 4.16 2bprA7 ILE 412 HB -0.11 0.02 -0.17 -0.04 1.89 1.60 2bprA7 ILE 412 HG12 0.04 -0.02 0.01 -0.04 1.49 1.48 2bprA7 ILE 412 HG13 0.01 0.09 0.05 -0.04 1.21 1.32 2bprA7 ILE 412 HG23 0.22 -0.00 -0.17 -0.04 0.93 0.94 2bprA7 ILE 412 HD13 0.23 -0.00 -0.15 -0.04 0.88 0.92 2bprA7 ALA 413 H -0.03 0.22 -0.01 -0.55 8.40 8.04 2bprA7 ALA 413 HA 0.00 0.06 0.63 -0.75 4.34 4.28 2bprA7 ALA 413 HB3 -0.02 0.04 -0.18 -0.04 1.41 1.21 2bprA7 LYS 414 H -0.00 0.05 0.06 -0.55 8.42 7.98 2bprA7 LYS 414 HA 0.01 0.21 0.47 -0.75 4.32 4.26 2bprA7 LYS 414 HB2 0.00 0.06 0.05 -0.04 1.87 1.94 2bprA7 LYS 414 HB3 -0.00 -0.05 0.10 -0.04 1.79 1.79 2bprA7 LYS 414 HG2 -0.00 -0.02 -0.22 -0.04 1.46 1.18 2bprA7 LYS 414 HG3 0.00 0.12 -0.07 -0.04 1.46 1.48 2bprA7 LYS 414 HD2 -0.00 -0.04 -0.07 -0.04 1.69 1.54 2bprA7 LYS 414 HD3 -0.00 -0.01 -0.12 -0.04 1.68 1.51 2bprA7 LYS 414 HE2 0.00 0.19 -0.05 -0.04 2.99 3.10 2bprA7 LYS 414 HE3 0.00 -0.03 -0.02 -0.04 2.99 2.90 2bprA7 ASN 415 H 0.00 0.16 0.10 -0.55 8.53 8.25 2bprA7 ASN 415 HA -0.00 -0.01 0.23 -0.75 4.76 4.23 2bprA7 ASN 415 HB2 -0.02 0.13 0.24 -0.04 2.88 3.19 2bprA7 ASN 415 HB3 -0.01 -0.04 0.17 -0.04 2.79 2.86 2bprA7 ASN 415 HD21 -0.01 -0.06 -0.19 -0.04 7.03 6.74 2bprA7 ASN 415 HD22 -0.01 0.38 -0.27 -0.04 7.74 7.80 2bprA7 THR 416 H 0.00 0.10 0.03 -0.55 8.28 7.86 2bprA7 THR 416 HA 0.00 0.12 0.76 -0.75 4.39 4.51 2bprA7 THR 416 HB 0.03 -0.03 0.04 -0.04 4.32 4.33 2bprA7 THR 416 HG23 0.02 0.02 0.03 -0.04 1.22 1.25 2bprA7 THR 417 H 0.01 0.21 0.06 -0.55 8.28 8.02 2bprA7 THR 417 HA 0.02 0.10 0.86 -0.75 4.39 4.61 2bprA7 THR 417 HB 0.01 -0.10 -0.13 -0.04 4.32 4.07 2bprA7 THR 417 HG23 0.01 0.02 -0.00 -0.04 1.22 1.21 2bprA7 ILE 418 H 0.02 0.11 0.07 -0.55 8.25 7.90 2bprA7 ILE 418 HA 0.03 -0.02 0.09 -0.75 4.18 3.53 2bprA7 ILE 418 HB 0.02 0.10 -0.03 -0.04 1.89 1.94 2bprA7 ILE 418 HG12 0.02 -0.03 -0.09 -0.04 1.49 1.34 2bprA7 ILE 418 HG13 0.02 0.06 0.10 -0.04 1.21 1.35 2bprA7 ILE 418 HG23 0.03 -0.02 -0.14 -0.04 0.93 0.76 2bprA7 ILE 418 HD13 0.01 -0.01 -0.20 -0.04 0.88 0.64 2bprA7 PRO 419 HA 0.02 0.12 0.11 -0.51 4.44 4.19 2bprA7 PRO 419 HB2 0.02 0.11 -0.07 -0.04 2.28 2.30 2bprA7 PRO 419 HB3 0.01 -0.15 -0.23 -0.04 2.02 1.61 2bprA7 PRO 419 HG2 0.02 0.03 0.04 -0.04 2.03 2.08 2bprA7 PRO 419 HG3 0.01 -0.03 0.06 -0.04 2.03 2.02 2bprA7 PRO 419 HD2 0.01 0.08 0.31 -0.04 3.68 4.04 2bprA7 PRO 419 HD3 0.01 0.05 0.18 -0.04 3.65 3.85 2bprA7 THR 420 H 0.04 0.30 0.12 -0.55 8.28 8.19 2bprA7 THR 420 HA 0.06 0.24 0.91 -0.75 4.39 4.84 2bprA7 THR 420 HB 0.10 -0.02 -0.00 -0.04 4.32 4.36 2bprA7 THR 420 HG23 0.06 0.05 -0.41 -0.04 1.22 0.88 2bprA7 LYS 421 H 0.10 0.19 0.14 -0.55 8.42 8.29 2bprA7 LYS 421 HA 0.12 0.24 0.78 -0.75 4.32 4.71 2bprA7 LYS 421 HB2 0.06 0.13 -0.10 -0.04 1.87 1.92 2bprA7 LYS 421 HB3 0.07 -0.03 0.03 -0.04 1.79 1.82 2bprA7 LYS 421 HG2 0.05 -0.02 -0.04 -0.04 1.46 1.41 2bprA7 LYS 421 HG3 0.07 -0.04 -0.20 -0.04 1.46 1.25 2bprA7 LYS 421 HD2 0.09 0.08 -0.01 -0.04 1.69 1.80 2bprA7 LYS 421 HD3 0.07 0.03 0.04 -0.04 1.68 1.78 2bprA7 LYS 421 HE2 0.05 -0.01 -0.11 -0.04 2.99 2.89 2bprA7 LYS 421 HE3 0.04 -0.01 -0.06 -0.04 2.99 2.92 2bprA7 HIS 422 H 0.19 0.72 0.30 -0.55 8.41 9.08 2bprA7 HIS 422 HA 0.06 0.06 0.65 -0.75 4.63 4.65 2bprA7 HIS 422 HB2 0.06 0.07 -0.14 -0.04 3.26 3.21 2bprA7 HIS 422 HB3 0.09 -0.04 0.00 -0.04 3.20 3.21 2bprA7 HIS 422 HD2 0.04 -0.00 0.16 -0.04 6.97 7.12 2bprA7 HIS 422 HE1 0.03 -0.04 0.02 -0.04 7.75 7.72 2bprA7 SER 423 H -0.38 0.16 0.17 -0.55 8.46 7.87 2bprA7 SER 423 HA -0.07 0.06 0.85 -0.75 4.49 4.58 2bprA7 SER 423 HB2 -0.07 -0.00 0.05 -0.04 3.95 3.89 2bprA7 SER 423 HB3 -0.17 0.01 0.14 -0.04 3.93 3.87 2bprA7 GLN 424 H -0.00 0.57 0.32 -0.55 8.47 8.80 2bprA7 GLN 424 HA -0.02 0.05 0.72 -0.75 4.36 4.34 2bprA7 GLN 424 HB2 0.11 0.05 -0.20 -0.04 2.15 2.07 2bprA7 GLN 424 HB3 0.16 0.00 0.11 -0.04 2.02 2.26 2bprA7 GLN 424 HG2 0.23 0.01 -0.07 -0.04 2.40 2.53 2bprA7 GLN 424 HG3 0.11 -0.03 0.14 -0.04 2.39 2.56 2bprA7 GLN 424 HE21 0.31 -0.04 0.02 -0.04 6.97 7.22 2bprA7 GLN 424 HE22 0.12 0.03 0.02 -0.04 7.69 7.82 2bprA7 VAL 425 H -0.01 0.15 0.14 -0.55 8.24 7.97 2bprA7 VAL 425 HA 0.10 -0.02 0.94 -0.75 4.13 4.40 2bprA7 VAL 425 HB -0.01 -0.06 0.03 -0.04 2.12 2.04 2bprA7 VAL 425 HG13 -0.09 0.01 0.07 -0.04 0.97 0.92 2bprA7 VAL 425 HG23 -0.02 0.02 -0.24 -0.04 0.95 0.66 2bprA7 PHE 426 H 0.18 0.59 0.41 -0.55 8.34 8.96 2bprA7 PHE 426 HA 0.10 0.10 0.80 -0.75 4.62 4.87 2bprA7 PHE 426 HB2 0.04 0.02 0.06 -0.04 3.15 3.23 2bprA7 PHE 426 HB3 0.05 0.09 0.15 -0.04 3.06 3.31 2bprA7 PHE 426 HD2 0.05 0.13 -0.18 -0.04 7.28 7.24 2bprA7 PHE 426 HE2 -0.02 -0.10 -0.02 -0.04 7.38 7.19 2bprA7 PHE 426 HZ -0.05 -0.00 -0.02 -0.04 7.32 7.20 2bprA7 SER 427 H 0.26 0.48 0.21 -0.55 8.46 8.87 2bprA7 SER 427 HA 0.08 0.09 0.58 -0.75 4.49 4.49 2bprA7 SER 427 HB2 0.04 -0.16 0.13 -0.04 3.95 3.92 2bprA7 SER 427 HB3 0.03 0.02 -0.34 -0.04 3.93 3.60 2bprA7 THR 428 H 0.05 0.03 0.14 -0.55 8.28 7.95 2bprA7 THR 428 HA 0.07 0.19 0.99 -0.75 4.39 4.89 2bprA7 THR 428 HB 0.01 0.13 0.33 -0.04 4.32 4.75 2bprA7 THR 428 HG23 0.02 0.08 0.11 -0.04 1.22 1.39 2bprA7 ALA 429 H 0.07 0.26 -0.18 -0.55 8.40 8.01 2bprA7 ALA 429 HA 0.06 0.17 0.71 -0.75 4.34 4.53 2bprA7 ALA 429 HB3 0.13 0.01 0.04 -0.04 1.41 1.55 2bprA7 GLU 430 H 0.08 0.02 0.14 -0.55 8.60 8.30 2bprA7 GLU 430 HA 0.05 0.12 0.89 -0.75 4.29 4.60 2bprA7 GLU 430 HB2 0.07 0.05 0.10 -0.04 2.09 2.27 2bprA7 GLU 430 HB3 0.07 0.04 0.03 -0.04 1.99 2.09 2bprA7 GLU 430 HG2 0.10 0.07 -0.07 -0.04 2.34 2.41 2bprA7 GLU 430 HG3 0.24 -0.10 -0.19 -0.04 2.34 2.25 2bprA7 ASP 431 H 0.02 0.14 0.15 -0.55 8.40 8.15 2bprA7 ASP 431 HA 0.00 -0.08 0.39 -0.75 4.63 4.19 2bprA7 ASP 431 HB2 -0.05 0.28 0.15 -0.04 2.71 3.06 2bprA7 ASP 431 HB3 -0.02 -0.05 -0.05 -0.04 2.70 2.55 2bprA7 ASN 432 H 0.01 0.04 0.16 -0.55 8.53 8.19 2bprA7 ASN 432 HA 0.02 0.05 0.22 -0.75 4.76 4.29 2bprA7 ASN 432 HB2 0.02 -0.05 -0.36 -0.04 2.88 2.45 2bprA7 ASN 432 HB3 0.01 0.17 -0.10 -0.04 2.79 2.82 2bprA7 ASN 432 HD21 0.03 0.13 0.01 -0.04 7.03 7.15 2bprA7 ASN 432 HD22 0.03 -0.12 0.10 -0.04 7.74 7.70 2bprA7 GLN 433 H 0.01 0.34 0.02 -0.55 8.47 8.29 2bprA7 GLN 433 HA 0.01 0.12 0.70 -0.75 4.36 4.44 2bprA7 GLN 433 HB2 0.01 0.20 0.11 -0.04 2.15 2.42 2bprA7 GLN 433 HB3 0.01 -0.04 0.03 -0.04 2.02 1.99 2bprA7 GLN 433 HG2 0.01 -0.05 -0.13 -0.04 2.40 2.20 2bprA7 GLN 433 HG3 0.01 -0.01 0.01 -0.04 2.39 2.36 2bprA7 GLN 433 HE21 0.01 -0.01 -0.05 -0.04 6.97 6.87 2bprA7 GLN 433 HE22 0.00 0.25 -0.40 -0.04 7.69 7.51 2bprA7 SER 434 H 0.00 0.30 -0.04 -0.55 8.46 8.18 2bprA7 SER 434 HA 0.00 -0.44 0.28 -0.75 4.49 3.58 2bprA7 SER 434 HB2 0.00 0.08 0.06 -0.04 3.95 4.05 2bprA7 SER 434 HB3 -0.00 -0.02 -0.41 -0.04 3.93 3.45 2bprA7 ALA 435 H -0.00 0.10 0.13 -0.55 8.40 8.08 2bprA7 ALA 435 HA 0.00 0.18 0.32 -0.75 4.34 4.09 2bprA7 ALA 435 HB3 -0.01 0.03 0.06 -0.04 1.41 1.45 2bprA7 VAL 436 H 0.01 0.29 0.06 -0.55 8.24 8.05 2bprA7 VAL 436 HA 0.00 0.05 0.51 -0.75 4.13 3.93 2bprA7 VAL 436 HB 0.02 0.19 0.23 -0.04 2.12 2.52 2bprA7 VAL 436 HG13 0.02 -0.04 -0.14 -0.04 0.97 0.77 2bprA7 VAL 436 HG23 0.03 -0.01 -0.14 -0.04 0.95 0.79 2bprA7 THR 437 H 0.01 0.21 0.15 -0.55 8.28 8.11 2bprA7 THR 437 HA 0.04 0.08 0.79 -0.75 4.39 4.54 2bprA7 THR 437 HB 0.04 0.03 0.19 -0.04 4.32 4.54 2bprA7 THR 437 HG23 0.04 0.01 0.02 -0.04 1.22 1.25 2bprA7 ILE 438 H 0.07 0.46 0.07 -0.55 8.25 8.30 2bprA7 ILE 438 HA 0.07 0.23 0.58 -0.75 4.18 4.30 2bprA7 ILE 438 HB 0.16 -0.14 0.06 -0.04 1.89 1.93 2bprA7 ILE 438 HG12 0.06 -0.03 -0.04 -0.04 1.49 1.44 2bprA7 ILE 438 HG13 0.04 0.01 -0.06 -0.04 1.21 1.16 2bprA7 ILE 438 HG23 0.07 0.02 0.02 -0.04 0.93 1.00 2bprA7 ILE 438 HD13 0.03 0.03 -0.21 -0.04 0.88 0.69 2bprA7 HIS 439 H 0.13 0.48 -0.30 -0.55 8.41 8.17 2bprA7 HIS 439 HA 0.02 -0.02 0.56 -0.75 4.63 4.43 2bprA7 HIS 439 HB2 -0.01 -0.02 -0.03 -0.04 3.26 3.16 2bprA7 HIS 439 HB3 -0.01 -0.02 0.13 -0.04 3.20 3.27 2bprA7 HIS 439 HD2 -0.02 -0.01 -0.02 -0.04 6.97 6.87 2bprA7 HIS 439 HE1 -0.01 -0.05 -0.06 -0.04 7.75 7.58 2bprA7 VAL 440 H 0.19 0.24 -0.16 -0.55 8.24 7.95 2bprA7 VAL 440 HA 0.07 0.27 0.74 -0.75 4.13 4.46 2bprA7 VAL 440 HB 0.13 0.11 0.09 -0.04 2.12 2.40 2bprA7 VAL 440 HG13 0.18 -0.03 -0.04 -0.04 0.97 1.04 2bprA7 VAL 440 HG23 0.11 -0.04 -0.05 -0.04 0.95 0.92 2bprA7 LEU 441 H 0.01 0.34 -0.52 -0.55 8.37 7.65 2bprA7 LEU 441 HA 0.03 0.21 0.83 -0.75 4.35 4.68 2bprA7 LEU 441 HB2 -0.06 -0.09 -0.21 -0.04 1.64 1.24 2bprA7 LEU 441 HB3 -0.04 0.17 -0.27 -0.04 1.64 1.46 2bprA7 LEU 441 HG -0.21 -0.04 -0.37 -0.04 1.64 0.99 2bprA7 LEU 441 HD13 -0.13 0.01 -0.18 -0.04 0.93 0.60 2bprA7 LEU 441 HD23 -0.21 0.02 -0.23 -0.04 0.89 0.42 2bprA7 GLN 442 H 0.04 0.50 -0.03 -0.55 8.47 8.43 2bprA7 GLN 442 HA 0.03 0.30 0.52 -0.75 4.36 4.46 2bprA7 GLN 442 HB2 0.06 -0.03 -0.16 -0.04 2.15 1.98 2bprA7 GLN 442 HB3 0.05 0.00 -0.11 -0.04 2.02 1.92 2bprA7 GLN 442 HG2 0.03 -0.07 -0.22 -0.04 2.40 2.11 2bprA7 GLN 442 HG3 0.04 0.20 -0.15 -0.04 2.39 2.45 2bprA7 GLN 442 HE21 0.03 -0.02 -0.09 -0.04 6.97 6.86 2bprA7 GLN 442 HE22 0.03 0.07 -0.13 -0.04 7.69 7.63 2bprA7 GLY 443 H 0.01 0.79 -0.08 -0.55 8.43 8.61 2bprA7 GLY 443 HA2 0.01 0.13 0.43 -0.51 4.01 4.07 2bprA7 GLY 443 HA3 -0.00 -0.17 0.30 -0.51 4.01 3.63 2bprA7 GLU 444 H -0.01 0.05 -0.01 -0.55 8.60 8.09 2bprA7 GLU 444 HA -0.00 0.10 0.87 -0.75 4.29 4.50 2bprA7 GLU 444 HB2 -0.01 -0.03 0.12 -0.04 2.09 2.14 2bprA7 GLU 444 HB3 -0.01 0.10 0.10 -0.04 1.99 2.15 2bprA7 GLU 444 HG2 -0.00 0.04 0.04 -0.04 2.34 2.38 2bprA7 GLU 444 HG3 -0.00 -0.05 -0.37 -0.04 2.34 1.88 2bprA7 ARG 445 H -0.01 0.22 0.05 -0.55 8.46 8.17 2bprA7 ARG 445 HA -0.02 0.15 0.43 -0.75 4.34 4.15 2bprA7 ARG 445 HB2 -0.01 0.34 -0.40 -0.04 1.90 1.79 2bprA7 ARG 445 HB3 -0.01 -0.04 -0.06 -0.04 1.80 1.65 2bprA7 ARG 445 HG2 -0.02 -0.03 0.20 -0.04 1.67 1.79 2bprA7 ARG 445 HG3 -0.01 -0.03 0.04 -0.04 1.67 1.62 2bprA7 ARG 445 HD2 -0.01 -0.01 -0.09 -0.04 3.22 3.07 2bprA7 ARG 445 HD3 -0.01 0.02 -0.11 -0.04 3.22 3.07 2bprA7 LYS 446 H -0.02 0.40 0.18 -0.55 8.42 8.43 2bprA7 LYS 446 HA -0.01 -0.13 0.40 -0.75 4.32 3.84 2bprA7 LYS 446 HB2 -0.01 -0.01 -0.13 -0.04 1.87 1.68 2bprA7 LYS 446 HB3 -0.01 0.20 0.09 -0.04 1.79 2.03 2bprA7 LYS 446 HG2 -0.00 0.01 -0.02 -0.04 1.46 1.41 2bprA7 LYS 446 HG3 -0.01 -0.03 0.05 -0.04 1.46 1.44 2bprA7 LYS 446 HD2 -0.01 0.02 -0.03 -0.04 1.69 1.64 2bprA7 LYS 446 HD3 -0.00 0.01 -0.01 -0.04 1.68 1.63 2bprA7 LYS 446 HE2 -0.01 -0.00 -0.05 -0.04 2.99 2.89 2bprA7 LYS 446 HE3 -0.01 0.01 -0.02 -0.04 2.99 2.93 2bprA7 ARG 447 H -0.00 0.11 0.10 -0.55 8.46 8.11 2bprA7 ARG 447 HA 0.00 0.08 0.42 -0.75 4.34 4.08 2bprA7 ARG 447 HB2 -0.00 0.18 0.17 -0.04 1.90 2.21 2bprA7 ARG 447 HB3 0.00 -0.00 0.05 -0.04 1.80 1.81 2bprA7 ARG 447 HG2 0.00 0.04 0.03 -0.04 1.67 1.70 2bprA7 ARG 447 HG3 -0.00 -0.06 -0.15 -0.04 1.67 1.41 2bprA7 ARG 447 HD2 0.00 0.00 -0.02 -0.04 3.22 3.16 2bprA7 ARG 447 HD3 0.00 0.01 -0.03 -0.04 3.22 3.16 2bprA7 ALA 448 H -0.00 0.34 0.06 -0.55 8.40 8.26 2bprA7 ALA 448 HA -0.01 -0.02 0.24 -0.75 4.34 3.79 2bprA7 ALA 448 HB3 -0.02 0.02 -0.23 -0.04 1.41 1.14 2bprA7 ALA 449 H -0.01 0.54 0.22 -0.55 8.40 8.61 2bprA7 ALA 449 HA -0.00 0.21 0.52 -0.75 4.34 4.31 2bprA7 ALA 449 HB3 -0.00 0.00 -0.19 -0.04 1.41 1.18 2bprA7 ASP 450 H -0.01 0.07 -0.27 -0.55 8.40 7.63 2bprA7 ASP 450 HA -0.00 0.20 0.60 -0.75 4.63 4.67 2bprA7 ASP 450 HB2 -0.02 0.05 -0.05 -0.04 2.71 2.65 2bprA7 ASP 450 HB3 -0.02 -0.12 0.06 -0.04 2.70 2.58 2bprA7 ASN 451 H -0.00 0.21 -0.89 -0.55 8.53 7.30 2bprA7 ASN 451 HA -0.03 0.19 0.35 -0.75 4.76 4.52 2bprA7 ASN 451 HB2 0.00 0.03 -0.06 -0.04 2.88 2.81 2bprA7 ASN 451 HB3 0.00 0.03 -0.01 -0.04 2.79 2.77 2bprA7 ASN 451 HD21 -0.01 0.43 -0.22 -0.04 7.03 7.19 2bprA7 ASN 451 HD22 -0.01 0.02 -0.16 -0.04 7.74 7.55 2bprA7 LYS 452 H 0.01 0.25 -0.58 -0.55 8.42 7.55 2bprA7 LYS 452 HA 0.03 0.00 0.65 -0.75 4.32 4.25 2bprA7 LYS 452 HB2 0.02 -0.17 0.10 -0.04 1.87 1.78 2bprA7 LYS 452 HB3 0.03 1.01 0.37 -0.04 1.79 3.16 2bprA7 LYS 452 HG2 0.03 -0.01 -0.08 -0.04 1.46 1.36 2bprA7 LYS 452 HG3 0.04 0.06 -0.23 -0.04 1.46 1.29 2bprA7 LYS 452 HD2 0.02 -0.08 -0.02 -0.04 1.69 1.57 2bprA7 LYS 452 HD3 0.02 0.05 -0.07 -0.04 1.68 1.64 2bprA7 LYS 452 HE2 0.03 0.12 0.03 -0.04 2.99 3.12 2bprA7 LYS 452 HE3 0.03 -0.20 0.14 -0.04 2.99 2.92 2bprA7 SER 453 H 0.04 0.12 0.17 -0.55 8.46 8.25 2bprA7 SER 453 HA 0.15 0.08 0.44 -0.75 4.49 4.40 2bprA7 SER 453 HB2 0.02 0.00 0.10 -0.04 3.95 4.04 2bprA7 SER 453 HB3 0.05 0.04 0.14 -0.04 3.93 4.12 2bprA7 LEU 454 H 0.15 0.40 0.27 -0.55 8.37 8.65 2bprA7 LEU 454 HA 0.07 0.17 0.60 -0.75 4.35 4.44 2bprA7 LEU 454 HB2 0.07 0.04 -0.24 -0.04 1.64 1.48 2bprA7 LEU 454 HB3 0.09 -0.01 -0.36 -0.04 1.64 1.33 2bprA7 LEU 454 HG 0.10 -0.05 0.05 -0.04 1.64 1.70 2bprA7 LEU 454 HD13 0.07 0.02 -0.09 -0.04 0.93 0.89 2bprA7 LEU 454 HD23 0.16 -0.03 -0.36 -0.04 0.89 0.62 2bprA7 GLY 455 H 0.06 0.07 -0.02 -0.55 8.43 7.99 2bprA7 GLY 455 HA2 0.10 0.06 0.22 -0.51 4.01 3.88 2bprA7 GLY 455 HA3 0.12 -0.11 0.94 -0.51 4.01 4.44 2bprA7 GLN 456 H -0.04 0.25 0.18 -0.55 8.47 8.31 2bprA7 GLN 456 HA -0.30 -0.02 0.25 -0.75 4.36 3.53 2bprA7 GLN 456 HB2 -0.46 0.01 0.05 -0.04 2.15 1.72 2bprA7 GLN 456 HB3 -0.40 -0.01 0.15 -0.04 2.02 1.72 2bprA7 GLN 456 HG2 -0.39 -0.03 0.07 -0.04 2.40 2.00 2bprA7 GLN 456 HG3 -1.35 0.13 0.22 -0.04 2.39 1.35 2bprA7 GLN 456 HE21 -0.36 0.13 0.11 -0.04 6.97 6.80 2bprA7 GLN 456 HE22 -0.14 -0.04 0.03 -0.04 7.69 7.50 2bprA7 PHE 457 H 0.02 0.24 -0.01 -0.55 8.34 8.04 2bprA7 PHE 457 HA -0.03 0.21 0.58 -0.75 4.62 4.62 2bprA7 PHE 457 HB2 -0.02 0.02 0.10 -0.04 3.15 3.20 2bprA7 PHE 457 HB3 -0.02 -0.05 0.20 -0.04 3.06 3.15 2bprA7 PHE 457 HD2 -0.03 -0.02 0.02 -0.04 7.28 7.20 2bprA7 PHE 457 HE2 -0.03 -0.02 -0.02 -0.04 7.38 7.27 2bprA7 PHE 457 HZ -0.03 -0.01 -0.02 -0.04 7.32 7.22 2bprA7 ASN 458 H 0.18 0.25 0.15 -0.55 8.53 8.57 2bprA7 ASN 458 HA 0.06 0.06 0.69 -0.75 4.76 4.82 2bprA7 ASN 458 HB2 0.03 0.08 -0.15 -0.04 2.88 2.80 2bprA7 ASN 458 HB3 0.04 0.00 0.01 -0.04 2.79 2.80 2bprA7 ASN 458 HD21 0.01 0.00 -0.11 -0.04 7.03 6.90 2bprA7 ASN 458 HD22 0.00 0.01 -0.14 -0.04 7.74 7.58 2bprA7 LEU 459 H 0.03 0.67 0.24 -0.55 8.37 8.77 2bprA7 LEU 459 HA 0.01 0.16 0.85 -0.75 4.35 4.62 2bprA7 LEU 459 HB2 0.01 -0.03 0.06 -0.04 1.64 1.64 2bprA7 LEU 459 HB3 0.02 -0.02 0.12 -0.04 1.64 1.72 2bprA7 LEU 459 HG -0.00 0.04 -0.08 -0.04 1.64 1.56 2bprA7 LEU 459 HD13 -0.00 -0.02 -0.07 -0.04 0.93 0.80 2bprA7 LEU 459 HD23 0.01 0.01 -0.35 -0.04 0.89 0.52 2bprA7 ASP 460 H 0.01 0.29 0.09 -0.55 8.40 8.25 2bprA7 ASP 460 HA 0.01 0.03 0.45 -0.75 4.63 4.36 2bprA7 ASP 460 HB2 0.00 0.15 0.16 -0.04 2.71 2.99 2bprA7 ASP 460 HB3 0.01 -0.10 -0.23 -0.04 2.70 2.34 2bprA7 GLY 461 H 0.00 0.59 0.17 -0.55 8.43 8.65 2bprA7 GLY 461 HA2 0.00 -0.01 0.39 -0.51 4.01 3.88 2bprA7 GLY 461 HA3 0.00 0.18 0.74 -0.51 4.01 4.43 2bprA7 ILE 462 H 0.00 0.05 -0.03 -0.55 8.25 7.72 2bprA7 ILE 462 HA 0.00 0.26 0.72 -0.75 4.18 4.41 2bprA7 ILE 462 HB 0.01 -0.14 -0.38 -0.04 1.89 1.33 2bprA7 ILE 462 HG12 0.01 0.06 -0.26 -0.04 1.49 1.25 2bprA7 ILE 462 HG13 0.00 0.15 -0.84 -0.04 1.21 0.49 2bprA7 ILE 462 HG23 0.01 -0.00 0.01 -0.04 0.93 0.90 2bprA7 ILE 462 HD13 0.01 -0.03 -0.42 -0.04 0.88 0.40 2bprA7 ASN 463 H 0.00 -0.05 -0.15 -0.55 8.53 7.78 2bprA7 ASN 463 HA 0.00 0.11 0.44 -0.75 4.76 4.56 2bprA7 ASN 463 HB2 0.00 -0.01 0.10 -0.04 2.88 2.93 2bprA7 ASN 463 HB3 0.00 -0.07 0.15 -0.04 2.79 2.83 2bprA7 ASN 463 HD21 0.00 0.02 -0.18 -0.04 7.03 6.83 2bprA7 ASN 463 HD22 0.00 0.01 -0.10 -0.04 7.74 7.61 2bprA7 PRO 464 HA 0.00 -0.08 0.38 -0.51 4.44 4.23 2bprA7 PRO 464 HB2 0.00 0.04 0.04 -0.04 2.28 2.32 2bprA7 PRO 464 HB3 0.00 -0.00 0.06 -0.04 2.02 2.04 2bprA7 PRO 464 HG2 0.00 0.04 0.23 -0.04 2.03 2.26 2bprA7 PRO 464 HG3 0.00 0.02 0.10 -0.04 2.03 2.11 2bprA7 PRO 464 HD2 0.00 0.11 0.35 -0.04 3.68 4.10 2bprA7 PRO 464 HD3 0.00 0.10 0.08 -0.04 3.65 3.78 2bprA7 ALA 465 H 0.00 0.05 -0.02 -0.55 8.40 7.89 2bprA7 ALA 465 HA 0.01 0.24 0.51 -0.75 4.34 4.33 2bprA7 ALA 465 HB3 0.01 0.03 0.04 -0.04 1.41 1.44 2bprA7 PRO 466 HA 0.01 -0.12 0.45 -0.51 4.44 4.27 2bprA7 PRO 466 HB2 0.01 0.06 0.03 -0.04 2.28 2.34 2bprA7 PRO 466 HB3 0.01 -0.01 0.04 -0.04 2.02 2.02 2bprA7 PRO 466 HG2 0.01 0.14 0.18 -0.04 2.03 2.32 2bprA7 PRO 466 HG3 0.01 0.05 0.07 -0.04 2.03 2.11 2bprA7 PRO 466 HD2 0.01 0.23 0.12 -0.04 3.68 3.99 2bprA7 PRO 466 HD3 0.01 0.03 0.01 -0.04 3.65 3.66 2bprA7 ARG 467 H 0.01 -0.23 0.23 -0.55 8.46 7.92 2bprA7 ARG 467 HA 0.03 -0.01 0.25 -0.75 4.34 3.85 2bprA7 ARG 467 HB2 0.02 0.21 -0.02 -0.04 1.90 2.06 2bprA7 ARG 467 HB3 0.03 0.13 0.10 -0.04 1.80 2.02 2bprA7 ARG 467 HG2 0.04 -0.16 0.29 -0.04 1.67 1.79 2bprA7 ARG 467 HG3 0.02 -0.14 -0.03 -0.04 1.67 1.49 2bprA7 ARG 467 HD2 0.04 0.08 0.01 -0.04 3.22 3.30 2bprA7 ARG 467 HD3 0.04 -0.01 0.01 -0.04 3.22 3.22 2bprA7 GLY 468 H 0.03 0.08 -0.14 -0.55 8.43 7.85 2bprA7 GLY 468 HA2 0.02 -0.06 0.41 -0.51 4.01 3.87 2bprA7 GLY 468 HA3 0.02 0.12 0.32 -0.51 4.01 3.96 2bprA7 MET 469 H 0.01 0.01 0.06 -0.55 8.47 8.00 2bprA7 MET 469 HA 0.00 0.30 0.68 -0.75 4.52 4.75 2bprA7 MET 469 HB2 0.01 -0.36 0.06 -0.04 2.15 1.81 2bprA7 MET 469 HB3 0.00 0.11 -0.06 -0.04 2.03 2.04 2bprA7 MET 469 HG2 0.01 0.04 -0.62 -0.04 2.63 2.02 2bprA7 MET 469 HG3 0.01 -0.06 -0.10 -0.04 2.56 2.36 2bprA7 MET 469 HE3 0.01 0.03 -0.07 -0.04 2.10 2.02 2bprA7 PRO 470 HA 0.00 -0.16 0.38 -0.51 4.44 4.16 2bprA7 PRO 470 HB2 -0.05 0.06 -0.09 -0.04 2.28 2.17 2bprA7 PRO 470 HB3 -0.03 -0.01 0.01 -0.04 2.02 1.95 2bprA7 PRO 470 HG2 -0.06 0.04 0.15 -0.04 2.03 2.11 2bprA7 PRO 470 HG3 -0.08 0.04 0.04 -0.04 2.03 1.99 2bprA7 PRO 470 HD2 -0.03 0.11 0.37 -0.04 3.68 4.09 2bprA7 PRO 470 HD3 -0.03 0.15 -0.00 -0.04 3.65 3.73 2bprA7 GLN 471 H 0.01 0.04 0.03 -0.55 8.47 8.01 2bprA7 GLN 471 HA -0.00 0.25 0.86 -0.75 4.36 4.72 2bprA7 GLN 471 HB2 0.01 -0.03 0.09 -0.04 2.15 2.18 2bprA7 GLN 471 HB3 0.00 -0.04 0.21 -0.04 2.02 2.15 2bprA7 GLN 471 HG2 -0.01 0.07 -0.08 -0.04 2.40 2.34 2bprA7 GLN 471 HG3 -0.01 -0.10 -0.58 -0.04 2.39 1.67 2bprA7 GLN 471 HE21 -0.00 -0.02 -0.14 -0.04 6.97 6.76 2bprA7 GLN 471 HE22 -0.00 0.04 -0.02 -0.04 7.69 7.67 2bprA7 ILE 472 H 0.03 0.40 -0.08 -0.55 8.25 8.05 2bprA7 ILE 472 HA 0.03 0.02 0.72 -0.75 4.18 4.21 2bprA7 ILE 472 HB 0.09 0.03 0.00 -0.04 1.89 1.97 2bprA7 ILE 472 HG12 0.04 -0.20 -0.36 -0.04 1.49 0.93 2bprA7 ILE 472 HG13 0.06 0.03 -0.19 -0.04 1.21 1.06 2bprA7 ILE 472 HG23 0.04 -0.01 -0.29 -0.04 0.93 0.63 2bprA7 ILE 472 HD13 0.02 -0.01 -0.12 -0.04 0.88 0.74 2bprA7 GLU 473 H 0.03 0.22 0.06 -0.55 8.60 8.36 2bprA7 GLU 473 HA 0.05 -0.04 0.79 -0.75 4.29 4.33 2bprA7 GLU 473 HB2 0.01 -0.02 -0.03 -0.04 2.09 2.01 2bprA7 GLU 473 HB3 0.01 -0.00 0.03 -0.04 1.99 1.99 2bprA7 GLU 473 HG2 0.01 0.06 -0.01 -0.04 2.34 2.37 2bprA7 GLU 473 HG3 0.02 -0.03 -0.08 -0.04 2.34 2.21 2bprA7 VAL 474 H 0.09 0.27 0.18 -0.55 8.24 8.23 2bprA7 VAL 474 HA 0.06 0.09 1.07 -0.75 4.13 4.60 2bprA7 VAL 474 HB 0.17 0.21 0.25 -0.04 2.12 2.72 2bprA7 VAL 474 HG13 0.12 -0.02 -0.22 -0.04 0.97 0.81 2bprA7 VAL 474 HG23 0.10 0.02 -0.13 -0.04 0.95 0.89 2bprA7 THR 475 H 0.05 0.51 0.24 -0.55 8.28 8.53 2bprA7 THR 475 HA 0.07 0.09 0.95 -0.75 4.39 4.75 2bprA7 THR 475 HB 0.04 -0.01 0.04 -0.04 4.32 4.34 2bprA7 THR 475 HG23 0.03 0.00 -0.12 -0.04 1.22 1.09 2bprA7 PHE 476 H 0.21 0.61 0.36 -0.55 8.34 8.97 2bprA7 PHE 476 HA 0.02 0.07 0.66 -0.75 4.62 4.62 2bprA7 PHE 476 HB2 0.07 0.10 0.10 -0.04 3.15 3.37 2bprA7 PHE 476 HB3 0.09 -0.06 0.09 -0.04 3.06 3.14 2bprA7 PHE 476 HD2 0.03 -0.05 -0.18 -0.04 7.28 7.05 2bprA7 PHE 476 HE2 0.01 -0.02 -0.05 -0.04 7.38 7.27 2bprA7 PHE 476 HZ 0.01 0.01 -0.04 -0.04 7.32 7.26 2bprA7 ASP 477 H -0.23 0.37 0.15 -0.55 8.40 8.15 2bprA7 ASP 477 HA 0.08 0.15 0.85 -0.75 4.63 4.95 2bprA7 ASP 477 HB2 0.09 -0.09 -0.08 -0.04 2.71 2.58 2bprA7 ASP 477 HB3 0.16 0.13 0.23 -0.04 2.70 3.19 2bprA7 ILE 478 H 0.06 0.14 0.01 -0.55 8.25 7.91 2bprA7 ILE 478 HA -0.04 0.04 0.86 -0.75 4.18 4.29 2bprA7 ILE 478 HB 0.07 -0.03 -0.01 -0.04 1.89 1.88 2bprA7 ILE 478 HG12 0.01 -0.04 -0.24 -0.04 1.49 1.18 2bprA7 ILE 478 HG13 -0.04 -0.05 -0.11 -0.04 1.21 0.97 2bprA7 ILE 478 HG23 0.05 -0.02 -0.11 -0.04 0.93 0.81 2bprA7 ILE 478 HD13 0.08 0.02 -0.11 -0.04 0.88 0.83 2bprA7 ASP 479 H 0.00 0.37 0.22 -0.55 8.40 8.44 2bprA7 ASP 479 HA -0.00 0.25 0.59 -0.75 4.63 4.71 2bprA7 ASP 479 HB2 -0.01 0.27 0.22 -0.04 2.71 3.15 2bprA7 ASP 479 HB3 -0.00 -0.40 0.21 -0.04 2.70 2.46 2bprA7 ALA 480 H -0.01 0.17 0.19 -0.55 8.40 8.21 2bprA7 ALA 480 HA 0.01 0.20 0.49 -0.75 4.34 4.28 2bprA7 ALA 480 HB3 0.00 0.03 0.08 -0.04 1.41 1.48 2bprA7 ASP 481 H -0.00 -0.11 -0.14 -0.55 8.40 7.60 2bprA7 ASP 481 HA 0.00 0.22 0.69 -0.75 4.63 4.79 2bprA7 ASP 481 HB2 -0.00 -0.17 0.11 -0.04 2.71 2.61 2bprA7 ASP 481 HB3 0.00 0.08 0.00 -0.04 2.70 2.74 2bprA7 GLY 482 H 0.00 -0.28 -0.03 -0.55 8.43 7.58 2bprA7 GLY 482 HA2 0.01 0.11 0.11 -0.51 4.01 3.73 2bprA7 GLY 482 HA3 0.01 0.26 0.74 -0.51 4.01 4.51 2bprA7 ILE 483 H 0.00 -0.30 0.14 -0.55 8.25 7.54 2bprA7 ILE 483 HA 0.00 0.17 0.75 -0.75 4.18 4.36 2bprA7 ILE 483 HB 0.00 -0.06 0.01 -0.04 1.89 1.80 2bprA7 ILE 483 HG12 0.00 -0.04 -0.10 -0.04 1.49 1.32 2bprA7 ILE 483 HG13 0.00 0.03 -0.10 -0.04 1.21 1.10 2bprA7 ILE 483 HG23 0.00 -0.00 -0.07 -0.04 0.93 0.82 2bprA7 ILE 483 HD13 0.00 0.06 -0.48 -0.04 0.88 0.42 2bprA7 LEU 484 H -0.01 0.52 0.14 -0.55 8.37 8.47 2bprA7 LEU 484 HA -0.08 -0.02 0.68 -0.75 4.35 4.18 2bprA7 LEU 484 HB2 -0.05 0.02 0.01 -0.04 1.64 1.58 2bprA7 LEU 484 HB3 -0.05 0.19 0.21 -0.04 1.64 1.95 2bprA7 LEU 484 HG -0.27 -0.07 -0.34 -0.04 1.64 0.91 2bprA7 LEU 484 HD13 -0.88 0.01 -0.25 -0.04 0.93 -0.23 2bprA7 LEU 484 HD23 -0.03 0.02 -0.08 -0.04 0.89 0.76 2bprA7 HIS 485 H -0.04 0.33 0.33 -0.55 8.41 8.49 2bprA7 HIS 485 HA -0.10 0.33 0.98 -0.75 4.63 5.08 2bprA7 HIS 485 HB2 -0.06 -0.10 0.04 -0.04 3.26 3.10 2bprA7 HIS 485 HB3 -0.07 0.18 0.28 -0.04 3.20 3.54 2bprA7 HIS 485 HD2 -0.05 -0.01 -0.07 -0.04 6.97 6.79 2bprA7 HIS 485 HE1 -0.04 -0.01 -0.09 -0.04 7.75 7.56 2bprA7 VAL 486 H -0.37 0.48 0.20 -0.55 8.24 8.00 2bprA7 VAL 486 HA -0.25 0.27 1.05 -0.75 4.13 4.44 2bprA7 VAL 486 HB -0.67 -0.06 -0.17 -0.04 2.12 1.18 2bprA7 VAL 486 HG13 -0.15 0.01 -0.03 -0.04 0.97 0.75 2bprA7 VAL 486 HG23 0.07 0.03 -0.30 -0.04 0.95 0.71 2bprA7 SER 487 H -0.12 0.59 0.22 -0.55 8.46 8.61 2bprA7 SER 487 HA -0.13 0.19 0.77 -0.75 4.49 4.57 2bprA7 SER 487 HB2 -0.04 -0.01 -0.11 -0.04 3.95 3.75 2bprA7 SER 487 HB3 -0.10 0.02 -0.04 -0.04 3.93 3.77 2bprA7 ALA 488 H -0.05 0.51 0.17 -0.55 8.40 8.48 2bprA7 ALA 488 HA 0.03 0.08 0.80 -0.75 4.34 4.49 2bprA7 ALA 488 HB3 0.01 0.01 0.07 -0.04 1.41 1.46 2bprA7 LYS 489 H 0.02 0.45 0.33 -0.55 8.42 8.67 2bprA7 LYS 489 HA 0.00 0.02 0.58 -0.75 4.32 4.17 2bprA7 LYS 489 HB2 0.01 -0.04 -0.07 -0.04 1.87 1.72 2bprA7 LYS 489 HB3 0.02 0.26 0.18 -0.04 1.79 2.21 2bprA7 LYS 489 HG2 0.01 -0.03 -0.09 -0.04 1.46 1.31 2bprA7 LYS 489 HG3 0.01 -0.00 -0.33 -0.04 1.46 1.10 2bprA7 LYS 489 HD2 0.00 -0.06 -0.13 -0.04 1.69 1.46 2bprA7 LYS 489 HD3 0.00 -0.02 -0.09 -0.04 1.68 1.53 2bprA7 LYS 489 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.89 2bprA7 LYS 489 HE3 0.01 -0.00 -0.04 -0.04 2.99 2.91 2bprA7 ASP 490 H 0.01 0.35 -0.08 -0.55 8.40 8.13 2bprA7 ASP 490 HA 0.02 0.13 0.73 -0.75 4.63 4.76 2bprA7 ASP 490 HB2 0.01 -0.11 0.22 -0.04 2.71 2.79 2bprA7 ASP 490 HB3 0.01 -0.02 0.11 -0.04 2.70 2.76 2bprA7 LYS 491 H 0.01 0.62 0.30 -0.55 8.42 8.80 2bprA7 LYS 491 HA 0.00 0.14 0.62 -0.75 4.32 4.33 2bprA7 LYS 491 HB2 0.01 0.09 0.22 -0.04 1.87 2.14 2bprA7 LYS 491 HB3 0.00 0.05 0.19 -0.04 1.79 1.99 2bprA7 LYS 491 HG2 0.01 -0.05 -0.24 -0.04 1.46 1.14 2bprA7 LYS 491 HG3 0.00 -0.08 -0.12 -0.04 1.46 1.22 2bprA7 LYS 491 HD2 -0.00 -0.02 -0.06 -0.04 1.69 1.57 2bprA7 LYS 491 HD3 -0.00 0.04 -0.01 -0.04 1.68 1.67 2bprA7 LYS 491 HE2 0.00 0.02 -0.04 -0.04 2.99 2.93 2bprA7 LYS 491 HE3 0.00 0.00 -0.12 -0.04 2.99 2.83 2bprA7 ASN 492 H 0.01 -0.10 -0.52 -0.55 8.53 7.37 2bprA7 ASN 492 HA 0.00 0.26 0.87 -0.75 4.76 5.13 2bprA7 ASN 492 HB2 0.01 0.04 0.00 -0.04 2.88 2.88 2bprA7 ASN 492 HB3 0.00 -0.15 0.06 -0.04 2.79 2.66 2bprA7 ASN 492 HD21 0.00 -0.13 -0.20 -0.04 7.03 6.66 2bprA7 ASN 492 HD22 0.00 0.05 -0.14 -0.04 7.74 7.61 2bprA7 SER 493 H 0.00 -0.26 0.12 -0.55 8.46 7.78 2bprA7 SER 493 HA 0.00 0.18 0.39 -0.75 4.49 4.31 2bprA7 SER 493 HB2 0.00 0.17 -0.17 -0.04 3.95 3.91 2bprA7 SER 493 HB3 0.00 -0.05 -0.12 -0.04 3.93 3.73 2bprA7 GLY 494 H 0.00 -0.06 0.22 -0.55 8.43 8.04 2bprA7 GLY 494 HA2 0.00 0.13 0.35 -0.51 4.01 3.98 2bprA7 GLY 494 HA3 0.00 0.15 0.69 -0.51 4.01 4.34 2bprA7 LYS 495 H 0.00 -0.14 0.05 -0.55 8.42 7.78 2bprA7 LYS 495 HA -0.00 0.18 0.65 -0.75 4.32 4.40 2bprA7 LYS 495 HB2 0.00 -0.13 0.16 -0.04 1.87 1.87 2bprA7 LYS 495 HB3 0.00 0.12 -0.00 -0.04 1.79 1.87 2bprA7 LYS 495 HG2 0.00 -0.17 -0.08 -0.04 1.46 1.17 2bprA7 LYS 495 HG3 0.00 0.07 -0.01 -0.04 1.46 1.49 2bprA7 LYS 495 HD2 0.00 0.06 -0.01 -0.04 1.69 1.71 2bprA7 LYS 495 HD3 0.00 0.04 -0.08 -0.04 1.68 1.59 2bprA7 LYS 495 HE2 0.00 -0.01 -0.09 -0.04 2.99 2.85 2bprA7 LYS 495 HE3 0.00 0.05 -0.04 -0.04 2.99 2.96 2bprA7 GLU 496 H -0.00 0.28 0.24 -0.55 8.60 8.57 2bprA7 GLU 496 HA -0.01 0.42 1.04 -0.75 4.29 4.99 2bprA7 GLU 496 HB2 -0.01 -0.07 -0.16 -0.04 2.09 1.81 2bprA7 GLU 496 HB3 -0.00 -0.06 -0.18 -0.04 1.99 1.71 2bprA7 GLU 496 HG2 -0.01 0.05 0.04 -0.04 2.34 2.39 2bprA7 GLU 496 HG3 -0.02 -0.09 -0.30 -0.04 2.34 1.90 2bprA7 GLN 497 H -0.03 0.31 0.08 -0.55 8.47 8.29 2bprA7 GLN 497 HA -0.04 0.10 0.62 -0.75 4.36 4.28 2bprA7 GLN 497 HB2 -0.04 -0.05 0.13 -0.04 2.15 2.15 2bprA7 GLN 497 HB3 -0.07 -0.00 -0.02 -0.04 2.02 1.89 2bprA7 GLN 497 HG2 -0.02 0.02 -0.42 -0.04 2.40 1.95 2bprA7 GLN 497 HG3 -0.03 -0.05 -0.04 -0.04 2.39 2.24 2bprA7 GLN 497 HE21 -0.01 -0.01 -0.01 -0.04 6.97 6.90 2bprA7 GLN 497 HE22 -0.02 -0.06 0.07 -0.04 7.69 7.64 2bprA7 LYS 498 H -0.06 0.20 0.04 -0.55 8.42 8.04 2bprA7 LYS 498 HA -0.20 0.26 0.84 -0.75 4.32 4.46 2bprA7 LYS 498 HB2 -0.02 -0.00 0.16 -0.04 1.87 1.97 2bprA7 LYS 498 HB3 -0.21 0.06 -0.05 -0.04 1.79 1.55 2bprA7 LYS 498 HG2 -0.07 -0.05 -0.14 -0.04 1.46 1.15 2bprA7 LYS 498 HG3 -0.02 -0.01 -0.04 -0.04 1.46 1.35 2bprA7 LYS 498 HD2 0.11 0.01 -0.03 -0.04 1.69 1.74 2bprA7 LYS 498 HD3 0.17 0.02 -0.08 -0.04 1.68 1.75 2bprA7 LYS 498 HE2 0.03 -0.02 -0.07 -0.04 2.99 2.89 2bprA7 LYS 498 HE3 0.03 0.01 -0.05 -0.04 2.99 2.94 2bprA7 ILE 499 H -0.19 0.54 0.36 -0.55 8.25 8.40 2bprA7 ILE 499 HA -0.14 0.13 0.74 -0.75 4.18 4.15 2bprA7 ILE 499 HB -0.17 -0.05 0.06 -0.04 1.89 1.68 2bprA7 ILE 499 HG12 -0.12 0.12 0.19 -0.04 1.49 1.64 2bprA7 ILE 499 HG13 -0.15 -0.05 0.12 -0.04 1.21 1.09 2bprA7 ILE 499 HG23 -0.25 0.01 -0.05 -0.04 0.93 0.59 2bprA7 ILE 499 HD13 -0.03 -0.01 0.02 -0.04 0.88 0.82 2bprA7 THR 500 H -0.10 0.15 -0.01 -0.55 8.28 7.77 2bprA7 THR 500 HA -0.01 0.33 0.73 -0.75 4.39 4.68 2bprA7 THR 500 HB 0.01 -0.05 0.04 -0.04 4.32 4.28 2bprA7 THR 500 HG23 0.13 0.02 -0.17 -0.04 1.22 1.16 2bprA7 ILE 501 H -0.05 0.66 0.06 -0.55 8.25 8.37 2bprA7 ILE 501 HA 0.00 0.09 0.88 -0.75 4.18 4.40 2bprA7 ILE 501 HB -0.01 -0.08 -0.02 -0.04 1.89 1.75 2bprA7 ILE 501 HG12 0.06 0.13 -0.14 -0.04 1.49 1.49 2bprA7 ILE 501 HG13 0.07 -0.04 0.04 -0.04 1.21 1.24 2bprA7 ILE 501 HG23 -0.00 0.05 0.05 -0.04 0.93 0.99 2bprA7 ILE 501 HD13 0.18 0.03 -0.20 -0.04 0.88 0.84 2bprA7 LYS 502 H 0.02 0.16 0.19 -0.55 8.42 8.23 2bprA7 LYS 502 HA 0.01 -0.02 0.44 -0.75 4.32 4.00 2bprA7 LYS 502 HB2 0.01 0.04 0.11 -0.04 1.87 1.98 2bprA7 LYS 502 HB3 0.02 0.02 0.10 -0.04 1.79 1.88 2bprA7 LYS 502 HG2 0.01 -0.03 -0.02 -0.04 1.46 1.38 2bprA7 LYS 502 HG3 0.01 0.02 -0.03 -0.04 1.46 1.42 2bprA7 LYS 502 HD2 0.01 0.02 -0.07 -0.04 1.69 1.61 2bprA7 LYS 502 HD3 0.02 -0.07 -0.31 -0.04 1.68 1.27 2bprA7 LYS 502 HE2 0.01 -0.04 -0.08 -0.04 2.99 2.85 2bprA7 LYS 502 HE3 0.01 0.06 -0.19 -0.04 2.99 2.83 2bprA7 ALA 503 H 0.02 0.16 0.09 -0.55 8.40 8.12 2bprA7 ALA 503 HA 0.03 0.21 0.86 -0.75 4.34 4.69 2bprA7 ALA 503 HB3 0.03 0.06 0.11 -0.04 1.41 1.57 2bprA7 SER 504 H 0.02 0.15 -0.10 -0.55 8.46 7.98 2bprA7 SER 504 HA 0.01 0.03 0.36 -0.75 4.49 4.14 2bprA7 SER 504 HB2 0.01 -0.04 0.05 -0.04 3.95 3.93 2bprA7 SER 504 HB3 0.02 0.02 0.01 -0.04 3.93 3.93 2bprA7 SER 505 H 0.01 0.09 0.20 -0.55 8.46 8.21 2bprA7 SER 505 HA 0.01 0.18 0.79 -0.75 4.49 4.72 2bprA7 SER 505 HB2 0.01 0.09 0.06 -0.04 3.95 4.07 2bprA7 SER 505 HB3 0.01 -0.02 0.10 -0.04 3.93 3.98 2bprA7 GLY 506 H 0.01 0.12 0.09 -0.55 8.43 8.11 2bprA7 GLY 506 HA2 0.01 0.01 0.32 -0.51 4.01 3.84 2bprA7 GLY 506 HA3 0.01 0.17 0.71 -0.51 4.01 4.39 2bprA7 LEU 507 H 0.01 0.20 0.23 -0.55 8.37 8.26 2bprA7 LEU 507 HA 0.01 0.12 0.54 -0.75 4.35 4.26 2bprA7 LEU 507 HB2 0.01 -0.10 0.16 -0.04 1.64 1.66 2bprA7 LEU 507 HB3 0.01 0.18 0.05 -0.04 1.64 1.84 2bprA7 LEU 507 HG 0.01 0.03 -0.07 -0.04 1.64 1.57 2bprA7 LEU 507 HD13 0.01 -0.04 -0.21 -0.04 0.93 0.66 2bprA7 LEU 507 HD23 0.01 -0.01 -0.10 -0.04 0.89 0.75 2bprA7 ASN 508 H 0.01 0.14 0.21 -0.55 8.53 8.34 2bprA7 ASN 508 HA 0.00 0.30 0.88 -0.75 4.76 5.19 2bprA7 ASN 508 HB2 0.00 -0.04 -0.02 -0.04 2.88 2.79 2bprA7 ASN 508 HB3 0.00 -0.04 0.09 -0.04 2.79 2.81 2bprA7 ASN 508 HD21 0.00 -0.03 0.02 -0.04 7.03 6.98 2bprA7 ASN 508 HD22 0.00 0.05 -0.07 -0.04 7.74 7.69 2bprA7 GLU 509 H 0.00 0.30 0.17 -0.55 8.60 8.52 2bprA7 GLU 509 HA 0.00 0.17 0.37 -0.75 4.29 4.07 2bprA7 GLU 509 HB2 0.00 0.02 0.11 -0.04 2.09 2.17 2bprA7 GLU 509 HB3 0.00 0.25 0.12 -0.04 1.99 2.32 2bprA7 GLU 509 HG2 0.00 -0.04 0.12 -0.04 2.34 2.38 2bprA7 GLU 509 HG3 0.00 -0.02 -0.13 -0.04 2.34 2.15 2bprA7 ASP 510 H 0.00 0.19 -0.37 -0.55 8.40 7.68 2bprA7 ASP 510 HA 0.00 -0.16 0.60 -0.75 4.63 4.32 2bprA7 ASP 510 HB2 0.00 0.04 0.09 -0.04 2.71 2.80 2bprA7 ASP 510 HB3 0.00 0.11 -0.08 -0.04 2.70 2.68 2bprA7 GLU 511 H 0.00 0.19 -0.39 -0.55 8.60 7.86 2bprA7 GLU 511 HA 0.00 0.22 0.78 -0.75 4.29 4.54 2bprA7 GLU 511 HB2 0.00 -0.08 0.17 -0.04 2.09 2.15 2bprA7 GLU 511 HB3 0.00 0.35 0.33 -0.04 1.99 2.63 2bprA7 GLU 511 HG2 0.01 0.03 0.11 -0.04 2.34 2.44 2bprA7 GLU 511 HG3 0.00 0.07 -0.08 -0.04 2.34 2.29 2bprA7 ILE 512 H 0.00 0.18 0.04 -0.55 8.25 7.92 2bprA7 ILE 512 HA 0.00 0.23 0.50 -0.75 4.18 4.16 2bprA7 ILE 512 HB 0.00 0.01 0.15 -0.04 1.89 2.00 2bprA7 ILE 512 HG12 0.00 -0.03 0.04 -0.04 1.49 1.46 2bprA7 ILE 512 HG13 0.00 0.09 0.05 -0.04 1.21 1.31 2bprA7 ILE 512 HG23 -0.00 0.00 -0.15 -0.04 0.93 0.74 2bprA7 ILE 512 HD13 0.01 0.02 0.03 -0.04 0.88 0.90 2bprA7 GLN 513 H 0.00 0.49 0.11 -0.55 8.47 8.52 2bprA7 GLN 513 HA 0.00 0.10 0.40 -0.75 4.36 4.11 2bprA7 GLN 513 HB2 0.00 0.14 0.22 -0.04 2.15 2.47 2bprA7 GLN 513 HB3 0.00 -0.06 0.18 -0.04 2.02 2.10 2bprA7 GLN 513 HG2 0.00 -0.02 -0.06 -0.04 2.40 2.28 2bprA7 GLN 513 HG3 0.00 0.01 0.09 -0.04 2.39 2.45 2bprA7 GLN 513 HE21 0.00 0.01 0.03 -0.04 6.97 6.97 2bprA7 GLN 513 HE22 0.00 0.02 0.01 -0.04 7.69 7.68 2bprA7 LYS 514 H 0.00 -0.02 -0.63 -0.55 8.42 7.22 2bprA7 LYS 514 HA 0.00 0.10 0.67 -0.75 4.32 4.34 2bprA7 LYS 514 HB2 0.00 0.19 0.08 -0.04 1.87 2.10 2bprA7 LYS 514 HB3 0.00 -0.06 0.08 -0.04 1.79 1.77 2bprA7 LYS 514 HG2 0.00 -0.02 0.13 -0.04 1.46 1.52 2bprA7 LYS 514 HG3 0.00 0.00 0.07 -0.04 1.46 1.50 2bprA7 LYS 514 HD2 0.00 -0.03 0.00 -0.04 1.69 1.62 2bprA7 LYS 514 HD3 0.00 0.01 0.02 -0.04 1.68 1.67 2bprA7 LYS 514 HE2 -0.00 -0.05 0.11 -0.04 2.99 3.00 2bprA7 LYS 514 HE3 0.00 0.01 0.04 -0.04 2.99 3.01 2bprA7 MET 515 H 0.00 0.27 -0.55 -0.55 8.47 7.64 2bprA7 MET 515 HA -0.00 -0.00 0.81 -0.75 4.52 4.57 2bprA7 MET 515 HB2 -0.00 -0.09 0.16 -0.04 2.15 2.18 2bprA7 MET 515 HB3 0.00 0.13 0.14 -0.04 2.03 2.26 2bprA7 MET 515 HG2 0.00 0.16 0.15 -0.04 2.63 2.90 2bprA7 MET 515 HG3 -0.00 -0.11 -0.02 -0.04 2.56 2.38 2bprA7 MET 515 HE3 0.00 0.01 -0.17 -0.04 2.10 1.90 2bprA7 VAL 516 H 0.00 0.17 -0.76 -0.55 8.24 7.10 2bprA7 VAL 516 HA -0.00 0.09 0.59 -0.75 4.13 4.06 2bprA7 VAL 516 HB -0.00 0.07 0.02 -0.04 2.12 2.18 2bprA7 VAL 516 HG13 0.00 0.03 -0.02 -0.04 0.97 0.94 2bprA7 VAL 516 HG23 -0.00 -0.01 -0.09 -0.04 0.95 0.82 2bprA7 ARG 517 H 0.00 0.28 -0.22 -0.55 8.46 7.97 2bprA7 ARG 517 HA 0.00 0.21 0.81 -0.75 4.34 4.61 2bprA7 ARG 517 HB2 0.00 0.04 0.13 -0.04 1.90 2.02 2bprA7 ARG 517 HB3 0.00 0.03 0.26 -0.04 1.80 2.05 2bprA7 ARG 517 HG2 0.00 0.00 -0.14 -0.04 1.67 1.49 2bprA7 ARG 517 HG3 0.00 0.01 0.02 -0.04 1.67 1.66 2bprA7 ARG 517 HD2 0.00 0.00 0.01 -0.04 3.22 3.19 2bprA7 ARG 517 HD3 0.00 0.00 0.03 -0.04 3.22 3.21 2bprA7 ASP 518 H -0.00 0.43 0.13 -0.55 8.40 8.41 2bprA7 ASP 518 HA -0.00 0.09 0.33 -0.75 4.63 4.29 2bprA7 ASP 518 HB2 -0.00 0.02 0.16 -0.04 2.71 2.85 2bprA7 ASP 518 HB3 -0.00 0.02 0.20 -0.04 2.70 2.87 2bprA7 ALA 519 H -0.00 0.11 -0.29 -0.55 8.40 7.67 2bprA7 ALA 519 HA -0.01 0.01 0.29 -0.75 4.34 3.88 2bprA7 ALA 519 HB3 -0.00 0.04 0.15 -0.04 1.41 1.55 2bprA7 GLU 520 H -0.00 0.12 -0.87 -0.55 8.60 7.30 2bprA7 GLU 520 HA -0.00 0.24 0.29 -0.75 4.29 4.06 2bprA7 GLU 520 HB2 0.00 -0.14 0.05 -0.04 2.09 1.96 2bprA7 GLU 520 HB3 0.00 0.23 0.03 -0.04 1.99 2.21 2bprA7 GLU 520 HG2 0.00 0.09 -0.21 -0.04 2.34 2.18 2bprA7 GLU 520 HG3 0.00 -0.08 -0.54 -0.04 2.34 1.69 2bprA7 ALA 521 H 0.00 0.27 -0.19 -0.55 8.40 7.93 2bprA7 ALA 521 HA 0.02 0.03 0.41 -0.75 4.34 4.05 2bprA7 ALA 521 HB3 0.01 0.03 0.15 -0.04 1.41 1.55 2bprA7 ASN 522 H -0.01 0.35 -0.18 -0.55 8.53 8.15 2bprA7 ASN 522 HA -0.03 0.16 0.93 -0.75 4.76 5.06 2bprA7 ASN 522 HB2 -0.01 0.03 -0.14 -0.04 2.88 2.72 2bprA7 ASN 522 HB3 -0.02 0.09 0.03 -0.04 2.79 2.85 2bprA7 ASN 522 HD21 -0.03 0.02 -0.09 -0.04 7.03 6.89 2bprA7 ASN 522 HD22 -0.04 -0.00 -0.01 -0.04 7.74 7.64 2bprA7 ALA 523 H -0.02 0.34 -0.01 -0.55 8.40 8.17 2bprA7 ALA 523 HA -0.03 0.10 0.31 -0.75 4.34 3.97 2bprA7 ALA 523 HB3 -0.01 0.05 0.23 -0.04 1.41 1.64 2bprA7 GLU 524 H -0.02 0.40 0.13 -0.55 8.60 8.56 2bprA7 GLU 524 HA -0.03 -0.03 0.80 -0.75 4.29 4.28 2bprA7 GLU 524 HB2 -0.01 0.14 0.02 -0.04 2.09 2.20 2bprA7 GLU 524 HB3 -0.01 -0.01 0.08 -0.04 1.99 2.00 2bprA7 GLU 524 HG2 -0.01 0.03 -0.10 -0.04 2.34 2.22 2bprA7 GLU 524 HG3 -0.01 -0.02 -0.12 -0.04 2.34 2.16 2bprA7 ALA 525 H -0.02 -0.02 -0.39 -0.55 8.40 7.43 2bprA7 ALA 525 HA 0.08 0.15 0.69 -0.75 4.34 4.51 2bprA7 ALA 525 HB3 0.05 0.07 0.00 -0.04 1.41 1.49 2bprA7 ASP 526 H -0.11 0.24 -0.30 -0.55 8.40 7.69 2bprA7 ASP 526 HA -1.09 0.10 0.26 -0.75 4.63 3.14 2bprA7 ASP 526 HB2 -0.17 0.26 0.16 -0.04 2.71 2.91 2bprA7 ASP 526 HB3 -0.32 -0.02 0.01 -0.04 2.70 2.33 2bprA7 ARG 527 H -0.14 0.31 -0.20 -0.55 8.46 7.87 2bprA7 ARG 527 HA -0.14 0.15 0.61 -0.75 4.34 4.21 2bprA7 ARG 527 HB2 -0.07 0.05 0.15 -0.04 1.90 1.99 2bprA7 ARG 527 HB3 -0.05 0.09 0.23 -0.04 1.80 2.02 2bprA7 ARG 527 HG2 -0.03 -0.04 -0.16 -0.04 1.67 1.41 2bprA7 ARG 527 HG3 -0.05 -0.00 0.03 -0.04 1.67 1.61 2bprA7 ARG 527 HD2 -0.03 0.01 0.01 -0.04 3.22 3.17 2bprA7 ARG 527 HD3 -0.02 0.00 -0.02 -0.04 3.22 3.14 2bprA7 LYS 528 H -0.05 0.06 -0.08 -0.55 8.42 7.79 2bprA7 LYS 528 HA 0.01 0.09 0.41 -0.75 4.32 4.07 2bprA7 LYS 528 HB2 0.01 0.42 0.21 -0.04 1.87 2.46 2bprA7 LYS 528 HB3 0.02 -0.05 0.03 -0.04 1.79 1.76 2bprA7 LYS 528 HG2 0.02 0.02 -0.04 -0.04 1.46 1.42 2bprA7 LYS 528 HG3 -0.00 -0.04 0.05 -0.04 1.46 1.42 2bprA7 LYS 528 HD2 -0.03 -0.01 -0.02 -0.04 1.69 1.59 2bprA7 LYS 528 HD3 -0.00 0.02 -0.02 -0.04 1.68 1.63 2bprA7 LYS 528 HE2 0.07 0.02 -0.04 -0.04 2.99 3.00 2bprA7 LYS 528 HE3 0.02 -0.01 -0.05 -0.04 2.99 2.92 2bprA7 PHE 529 H -0.01 0.32 -0.60 -0.55 8.34 7.50 2bprA7 PHE 529 HA -0.00 -0.04 0.56 -0.75 4.62 4.38 2bprA7 PHE 529 HB2 -0.01 -0.20 0.11 -0.04 3.15 3.01 2bprA7 PHE 529 HB3 -0.01 0.19 0.09 -0.04 3.06 3.29 2bprA7 PHE 529 HD2 -0.01 -0.02 -0.17 -0.04 7.28 7.05 2bprA7 PHE 529 HE2 -0.01 -0.00 -0.05 -0.04 7.38 7.29 2bprA7 PHE 529 HZ -0.00 -0.01 -0.01 -0.04 7.32 7.26 2bprA7 GLU 530 H -0.13 0.40 -0.29 -0.55 8.60 8.02 2bprA7 GLU 530 HA 0.22 0.00 0.11 -0.75 4.29 3.87 2bprA7 GLU 530 HB2 -0.19 0.09 0.17 -0.04 2.09 2.11 2bprA7 GLU 530 HB3 -0.08 0.08 0.14 -0.04 1.99 2.08 2bprA7 GLU 530 HG2 0.03 -0.00 0.09 -0.04 2.34 2.41 2bprA7 GLU 530 HG3 0.11 -0.03 0.08 -0.04 2.34 2.45 2bprA7 GLU 531 H 0.03 0.29 -0.24 -0.55 8.60 8.14 2bprA7 GLU 531 HA 0.04 0.14 0.54 -0.75 4.29 4.26 2bprA7 GLU 531 HB2 0.01 0.04 -0.32 -0.04 2.09 1.78 2bprA7 GLU 531 HB3 0.01 0.00 -0.02 -0.04 1.99 1.95 2bprA7 GLU 531 HG2 0.03 -0.03 0.15 -0.04 2.34 2.44 2bprA7 GLU 531 HG3 0.03 0.04 0.14 -0.04 2.34 2.50 2bprA7 LEU 532 H 0.06 0.04 0.01 -0.55 8.37 7.93 2bprA7 LEU 532 HA 0.07 0.18 0.78 -0.75 4.35 4.63 2bprA7 LEU 532 HB2 0.04 0.02 0.17 -0.04 1.64 1.83 2bprA7 LEU 532 HB3 0.05 -0.03 0.14 -0.04 1.64 1.76 2bprA7 LEU 532 HG 0.05 0.08 0.04 -0.04 1.64 1.77 2bprA7 LEU 532 HD13 0.02 -0.04 -0.26 -0.04 0.93 0.61 2bprA7 LEU 532 HD23 0.07 -0.02 -0.01 -0.04 0.89 0.89 2bprA7 VAL 533 H 0.08 0.00 0.13 -0.55 8.24 7.91 2bprA7 VAL 533 HA 0.07 0.21 0.94 -0.75 4.13 4.59 2bprA7 VAL 533 HB 0.09 0.02 0.32 -0.04 2.12 2.50 2bprA7 VAL 533 HG13 0.01 -0.00 -0.13 -0.04 0.97 0.80 2bprA7 VAL 533 HG23 0.06 0.03 -0.12 -0.04 0.95 0.88 2bprA7 GLN 534 H 0.07 0.43 0.30 -0.55 8.47 8.72 2bprA7 GLN 534 HA 0.02 0.10 0.23 -0.75 4.36 3.96 2bprA7 GLN 534 HB2 -0.16 0.16 0.31 -0.04 2.15 2.42 2bprA7 GLN 534 HB3 -0.06 -0.01 0.18 -0.04 2.02 2.09 2bprA7 GLN 534 HG2 -0.03 -0.03 -0.03 -0.04 2.40 2.27 2bprA7 GLN 534 HG3 0.01 0.02 -0.04 -0.04 2.39 2.34 2bprA7 GLN 534 HE21 0.05 0.03 -0.25 -0.04 6.97 6.76 2bprA7 GLN 534 HE22 0.10 0.07 -0.50 -0.04 7.69 7.31 2bprA7 THR 535 H 0.07 -0.02 0.17 -0.55 8.28 7.95 2bprA7 THR 535 HA -0.06 -0.10 0.31 -0.75 4.39 3.79 2bprA7 THR 535 HB 0.16 -0.01 -0.14 -0.04 4.32 4.29 2bprA7 THR 535 HG23 -0.03 0.03 -0.12 -0.04 1.22 1.07 2bprA7 ARG 536 H -0.06 0.00 -0.21 -0.55 8.46 7.64 2bprA7 ARG 536 HA -0.08 0.10 0.54 -0.75 4.34 4.15 2bprA7 ARG 536 HB2 -0.05 -0.02 -0.04 -0.04 1.90 1.75 2bprA7 ARG 536 HB3 -0.07 0.24 -0.13 -0.04 1.80 1.80 2bprA7 ARG 536 HG2 -0.08 -0.02 -0.84 -0.04 1.67 0.69 2bprA7 ARG 536 HG3 -0.06 -0.12 -0.11 -0.04 1.67 1.34 2bprA7 ARG 536 HD2 -0.11 0.07 -0.11 -0.04 3.22 3.03 2bprA7 ARG 536 HD3 -0.23 0.05 -0.08 -0.04 3.22 2.91 2bprA7 ASN 537 H -0.07 0.14 0.04 -0.55 8.53 8.08 2bprA7 ASN 537 HA -0.02 0.07 0.25 -0.75 4.76 4.31 2bprA7 ASN 537 HB2 -0.02 0.08 0.06 -0.04 2.88 2.95 2bprA7 ASN 537 HB3 -0.04 -0.05 0.12 -0.04 2.79 2.79 2bprA7 ASN 537 HD21 -0.02 0.08 -0.16 -0.04 7.03 6.88 2bprA7 ASN 537 HD22 -0.03 -0.02 -0.03 -0.04 7.74 7.62 2bprA7 GLN 538 H -0.00 0.30 0.08 -0.55 8.47 8.30 2bprA7 GLN 538 HA -0.01 0.18 0.74 -0.75 4.36 4.52 2bprA7 GLN 538 HB2 0.02 -0.08 0.12 -0.04 2.15 2.16 2bprA7 GLN 538 HB3 0.01 0.00 0.05 -0.04 2.02 2.05 2bprA7 GLN 538 HG2 -0.00 0.05 -0.05 -0.04 2.40 2.36 2bprA7 GLN 538 HG3 -0.01 0.10 -0.54 -0.04 2.39 1.90 2bprA7 GLN 538 HE21 0.01 0.02 -0.03 -0.04 6.97 6.94 2bprA7 GLN 538 HE22 0.02 -0.03 -0.04 -0.04 7.69 7.60 2bprA7 GLY 539 H 0.01 0.13 0.06 -0.55 8.43 8.09 2bprA7 GLY 539 HA2 -0.01 0.09 0.49 -0.51 4.01 4.08 2bprA7 GLY 539 HA3 -0.01 0.00 0.40 -0.51 4.01 3.89 2bprA7 ASP 540 H -0.06 0.16 0.17 -0.55 8.40 8.13 2bprA7 ASP 540 HA 0.02 0.23 0.81 -0.75 4.63 4.94 2bprA7 ASP 540 HB2 -0.45 0.02 0.03 -0.04 2.71 2.27 2bprA7 ASP 540 HB3 -0.22 -0.02 0.14 -0.04 2.70 2.57 2bprA7 HIS 541 H 0.01 0.17 0.09 -0.55 8.41 8.13 2bprA7 HIS 541 HA -0.34 0.06 0.43 -0.75 4.63 4.03 2bprA7 HIS 541 HB2 -0.05 0.08 0.23 -0.04 3.26 3.48 2bprA7 HIS 541 HB3 -0.11 -0.01 0.02 -0.04 3.20 3.06 2bprA7 HIS 541 HD2 -0.06 0.02 -0.09 -0.04 6.97 6.80 2bprA7 HIS 541 HE1 -0.19 0.03 0.02 -0.04 7.75 7.56 2bprA7 LEU 542 H 0.14 0.40 0.22 -0.55 8.37 8.59 2bprA7 LEU 542 HA 0.11 0.01 0.15 -0.75 4.35 3.87 2bprA7 LEU 542 HB2 0.07 0.06 0.04 -0.04 1.64 1.77 2bprA7 LEU 542 HB3 0.08 -0.08 -0.14 -0.04 1.64 1.46 2bprA7 LEU 542 HG 0.06 0.09 -0.19 -0.04 1.64 1.55 2bprA7 LEU 542 HD13 0.05 -0.00 -0.03 -0.04 0.93 0.92 2bprA7 LEU 542 HD23 0.05 0.00 -0.01 -0.04 0.89 0.89 2bprA7 LEU 543 H 0.10 -0.09 -0.05 -0.55 8.37 7.79 2bprA7 LEU 543 HA 0.09 0.04 0.69 -0.75 4.35 4.41 2bprA7 LEU 543 HB2 0.12 0.11 -0.24 -0.04 1.64 1.60 2bprA7 LEU 543 HB3 0.10 0.19 0.23 -0.04 1.64 2.12 2bprA7 LEU 543 HG 0.04 -0.04 -0.10 -0.04 1.64 1.50 2bprA7 LEU 543 HD13 0.03 0.01 0.11 -0.04 0.93 1.04 2bprA7 LEU 543 HD23 -0.01 0.01 0.03 -0.04 0.89 0.88 2bprA7 HIS 544 H 0.15 0.16 0.12 -0.55 8.41 8.30 2bprA7 HIS 544 HA 0.03 -0.27 0.51 -0.75 4.63 4.15 2bprA7 HIS 544 HB2 0.02 -0.01 0.16 -0.04 3.26 3.39 2bprA7 HIS 544 HB3 0.02 0.08 0.22 -0.04 3.20 3.48 2bprA7 HIS 544 HD2 0.02 0.03 -0.21 -0.04 6.97 6.77 2bprA7 HIS 544 HE1 0.02 -0.03 -0.06 -0.04 7.75 7.63 2bprA7 SER 545 H -0.22 0.08 0.44 -0.55 8.46 8.22 2bprA7 SER 545 HA -0.10 0.01 0.76 -0.75 4.49 4.39 2bprA7 SER 545 HB2 -0.12 0.13 0.30 -0.04 3.95 4.22 2bprA7 SER 545 HB3 -0.07 -0.11 -0.12 -0.04 3.93 3.59 2bprA7 THR 546 H -0.09 0.13 0.20 -0.55 8.28 7.97 2bprA7 THR 546 HA -0.12 0.10 0.46 -0.75 4.39 4.07 2bprA7 THR 546 HB 0.06 0.10 0.03 -0.04 4.32 4.46 2bprA7 THR 546 HG23 0.01 -0.01 -0.01 -0.04 1.22 1.17 2bprA7 ARG 547 H 0.00 0.20 0.06 -0.55 8.46 8.17 2bprA7 ARG 547 HA -0.01 0.07 0.56 -0.75 4.34 4.20 2bprA7 ARG 547 HB2 -0.03 0.15 -0.37 -0.04 1.90 1.60 2bprA7 ARG 547 HB3 -0.01 -0.03 -0.02 -0.04 1.80 1.69 2bprA7 ARG 547 HG2 -0.00 -0.03 -0.39 -0.04 1.67 1.21 2bprA7 ARG 547 HG3 -0.01 0.02 -0.06 -0.04 1.67 1.58 2bprA7 ARG 547 HD2 -0.00 -0.01 -0.10 -0.04 3.22 3.07 2bprA7 ARG 547 HD3 -0.01 0.03 -0.14 -0.04 3.22 3.06 2bprA7 LYS 548 H 0.00 0.17 0.00 -0.55 8.42 8.04 2bprA7 LYS 548 HA 0.02 0.12 0.60 -0.75 4.32 4.30 2bprA7 LYS 548 HB2 0.01 -0.00 0.06 -0.04 1.87 1.90 2bprA7 LYS 548 HB3 0.01 -0.01 0.17 -0.04 1.79 1.91 2bprA7 LYS 548 HG2 0.01 0.02 -0.21 -0.04 1.46 1.23 2bprA7 LYS 548 HG3 0.01 0.03 -0.03 -0.04 1.46 1.43 2bprA7 LYS 548 HD2 0.01 0.01 -0.04 -0.04 1.69 1.63 2bprA7 LYS 548 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.63 2bprA7 LYS 548 HE2 0.00 -0.02 0.00 -0.04 2.99 2.94 2bprA7 LYS 548 HE3 0.00 -0.01 -0.03 -0.04 2.99 2.91 2bprA7 GLN 549 H 0.01 0.32 0.20 -0.55 8.47 8.45 2bprA7 GLN 549 HA 0.01 0.03 0.51 -0.75 4.36 4.15 2bprA7 GLN 549 HB2 0.01 0.06 0.03 -0.04 2.15 2.20 2bprA7 GLN 549 HB3 0.01 -0.01 0.03 -0.04 2.02 2.01 2bprA7 GLN 549 HG2 0.02 0.01 0.14 -0.04 2.40 2.52 2bprA7 GLN 549 HG3 0.01 0.01 -0.08 -0.04 2.39 2.28 2bprA7 GLN 549 HE21 0.03 0.03 0.04 -0.04 6.97 7.02 2bprA7 GLN 549 HE22 0.02 -0.02 0.00 -0.04 7.69 7.65 2bprA7 VAL 550 H 0.01 0.08 0.17 -0.55 8.24 7.94 2bprA7 VAL 550 HA 0.01 0.08 0.50 -0.75 4.13 3.97 2bprA7 VAL 550 HB 0.00 0.02 -0.05 -0.04 2.12 2.05 2bprA7 VAL 550 HG13 0.00 0.02 0.01 -0.04 0.97 0.95 2bprA7 VAL 550 HG23 0.00 -0.00 -0.01 -0.04 0.95 0.90 2bprA7 GLU 551 H 0.01 0.14 0.02 -0.55 8.60 8.22 2bprA7 GLU 551 HA 0.01 0.19 0.77 -0.75 4.29 4.50 2bprA7 GLU 551 HB2 0.01 -0.06 0.17 -0.04 2.09 2.17 2bprA7 GLU 551 HB3 0.01 0.00 0.07 -0.04 1.99 2.03 2bprA7 GLU 551 HG2 0.01 0.03 -0.07 -0.04 2.34 2.27 2bprA7 GLU 551 HG3 0.01 0.12 -0.48 -0.04 2.34 1.95 2bprA7 GLU 552 H 0.01 0.12 0.15 -0.55 8.60 8.33 2bprA7 GLU 552 HA 0.00 0.09 0.61 -0.75 4.29 4.24 2bprA7 GLU 552 HB2 0.00 0.00 0.13 -0.04 2.09 2.19 2bprA7 GLU 552 HB3 0.00 0.04 0.03 -0.04 1.99 2.02 2bprA7 GLU 552 HG2 0.00 0.03 0.00 -0.04 2.34 2.34 2bprA7 GLU 552 HG3 0.00 -0.04 0.04 -0.04 2.34 2.30 2bprA7 ALA 553 H 0.00 0.13 0.10 -0.55 8.40 8.08 2bprA7 ALA 553 HA 0.00 0.14 0.35 -0.75 4.34 4.07 2bprA7 ALA 553 HB3 0.00 0.04 -0.15 -0.04 1.41 1.27