============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TYR 29 0.840 -7.419 67.696 0.735 -99.200 -91.000 TYR 32 0.840 -20.031 63.102 3.834 -99.200 -91.000 TYR 41 0.840 -3.133 81.078 16.484 -99.200 -91.000 PHE 98 1.000 -2.344 48.934 2.570 -99.200 -91.000 TYR 109 0.840 -22.448 52.631 18.266 -99.200 -91.000 HIS 121 0.900 -3.404 56.670 -0.702 -99.200 -91.000 PHE 122 1.000 -7.713 62.155 7.291 -99.200 -91.000 HIS 127 0.900 0.810 59.414 0.557 -99.200 -91.000 TYR 131 0.840 7.386 61.981 -2.591 -99.200 -91.000 HIS 133 0.900 13.291 62.239 6.825 -99.200 -91.000 HIS 143 0.900 27.167 69.498 -0.388 -99.200 -91.000 TRP 159 1.040 17.290 63.447 6.626 -99.200 -91.000 TRP6 159 1.020 16.280 64.533 8.473 -99.200 -91.000 PHE 190 1.000 14.010 54.074 2.191 -99.200 -91.000 PHE 215 1.000 10.481 70.921 7.609 -99.200 -91.000 TYR 222 0.840 27.311 65.287 13.751 -99.200 -91.000 TYR 224 0.840 35.783 63.523 5.393 -99.200 -91.000 PHE 262 1.000 -9.280 71.681 13.651 -99.200 -91.000 HIS 264 0.900 -2.185 69.399 10.923 -99.200 -91.000 PHE 268 1.000 7.558 55.190 15.632 -99.200 -91.000 HIS 273 0.900 4.926 65.812 20.147 -99.200 -91.000 TYR 290 0.840 -16.045 73.703 27.420 -99.200 -91.000 PHE 297 1.000 4.629 54.497 22.958 -99.200 -91.000 PHE 306 1.000 -0.541 68.198 26.321 -99.200 -91.000 TYR 307 0.840 1.029 67.046 31.320 -99.200 -91.000 TYR 313 0.840 9.271 73.100 22.208 -99.200 -91.000 PHE 316 1.000 -1.114 74.482 23.187 -99.200 -91.000 HIS 333 0.900 0.237 47.518 34.855 -99.200 -91.000 PHE 353 1.000 -5.488 52.132 42.503 -99.200 -91.000 HIS 359 0.900 0.455 55.484 34.778 -99.200 -91.000 PHE 366 1.000 3.930 66.745 34.442 -99.200 -91.000 PHE 377 1.000 -14.123 43.149 27.798 -99.200 -91.000 TYR 389 0.840 -17.390 52.329 40.426 -99.200 -91.000 TRP 403 1.040 -16.342 49.041 22.401 -99.200 -91.000 TRP6 403 1.020 -17.693 47.121 22.107 -99.200 -91.000 PHE 428 1.000 2.039 73.189 31.647 -99.200 -91.000 HIS 429 0.900 3.625 73.382 38.310 -99.200 -91.000 TYR 432 0.840 12.135 68.959 31.219 -99.200 -91.000 TYR 450 0.840 10.296 57.405 32.459 -99.200 -91.000 TYR 457 0.840 22.790 59.908 31.515 -99.200 -91.000 TYR 468 0.840 23.702 65.073 20.929 -99.200 -91.000 TYR 473 0.840 22.347 71.326 17.552 -99.200 -91.000 TYR 485 0.840 4.215 47.410 25.733 -99.200 -91.000 PHE 487 1.000 4.795 53.758 36.188 -99.200 -91.000 PHE 500 1.000 12.255 52.223 38.258 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1fpmB1 ILE 8 HA 0.02 -0.04 0.26 -0.75 4.18 3.67 1fpmB1 ILE 8 HB -0.00 -0.13 0.04 -0.04 1.89 1.76 1fpmB1 ILE 8 HG12 -0.01 0.11 0.10 -0.04 1.49 1.66 1fpmB1 ILE 8 HG13 -0.02 -0.34 0.12 -0.04 1.21 0.93 1fpmB1 ILE 8 HG23 0.02 0.04 0.06 -0.04 0.93 1.00 1fpmB1 ILE 8 HD13 -0.00 0.04 0.03 -0.04 0.88 0.91 1fpmB1 GLU 9 H -0.00 0.16 0.12 -0.55 8.60 8.33 1fpmB1 GLU 9 HA -0.15 0.14 0.42 -0.75 4.29 3.95 1fpmB1 GLU 9 HB2 -0.05 0.00 0.15 -0.04 2.09 2.14 1fpmB1 GLU 9 HB3 -0.01 0.01 0.12 -0.04 1.99 2.07 1fpmB1 GLU 9 HG2 -0.07 0.01 -0.15 -0.04 2.34 2.08 1fpmB1 GLU 9 HG3 -0.16 0.08 0.12 -0.04 2.34 2.34 1fpmB1 ILE 10 H -0.03 0.05 -0.40 -0.55 8.25 7.32 1fpmB1 ILE 10 HA -0.05 0.08 0.42 -0.75 4.18 3.88 1fpmB1 ILE 10 HB -0.02 0.02 0.01 -0.04 1.89 1.86 1fpmB1 ILE 10 HG12 -0.02 0.06 -0.32 -0.04 1.49 1.17 1fpmB1 ILE 10 HG13 -0.02 -0.07 -0.03 -0.04 1.21 1.04 1fpmB1 ILE 10 HG23 -0.02 0.01 -0.03 -0.04 0.93 0.86 1fpmB1 ILE 10 HD13 -0.01 0.02 -0.07 -0.04 0.88 0.78 1fpmB1 ALA 11 H -0.04 0.14 -0.17 -0.55 8.40 7.79 1fpmB1 ALA 11 HA -0.03 0.01 0.31 -0.75 4.34 3.88 1fpmB1 ALA 11 HB3 -0.03 0.06 0.09 -0.04 1.41 1.49 1fpmB1 GLN 12 H -0.11 0.08 -1.16 -0.55 8.47 6.73 1fpmB1 GLN 12 HA -0.16 0.04 0.29 -0.75 4.36 3.78 1fpmB1 GLN 12 HB2 -0.23 0.07 0.07 -0.04 2.15 2.02 1fpmB1 GLN 12 HB3 -0.25 -0.03 0.21 -0.04 2.02 1.91 1fpmB1 GLN 12 HG2 -0.47 -0.00 -0.02 -0.04 2.40 1.87 1fpmB1 GLN 12 HG3 -0.75 -0.10 -0.02 -0.04 2.39 1.47 1fpmB1 GLN 12 HE21 -0.40 0.04 0.02 -0.04 6.97 6.58 1fpmB1 GLN 12 HE22 -0.87 -0.07 -0.02 -0.04 7.69 6.69 1fpmB1 ALA 13 H -0.06 0.77 -0.33 -0.55 8.40 8.23 1fpmB1 ALA 13 HA -0.06 0.08 0.87 -0.75 4.34 4.47 1fpmB1 ALA 13 HB3 -0.02 -0.02 0.07 -0.04 1.41 1.40 1fpmB1 ALA 14 H -0.06 0.31 -0.02 -0.55 8.40 8.08 1fpmB1 ALA 14 HA -0.02 -0.01 0.58 -0.75 4.34 4.14 1fpmB1 ALA 14 HB3 -0.02 0.04 -0.07 -0.04 1.41 1.32 1fpmB1 LYS 15 H -0.03 0.07 0.11 -0.55 8.42 8.02 1fpmB1 LYS 15 HA -0.04 -0.03 0.44 -0.75 4.32 3.93 1fpmB1 LYS 15 HB2 -0.02 -0.07 -0.08 -0.04 1.87 1.66 1fpmB1 LYS 15 HB3 -0.03 0.21 0.14 -0.04 1.79 2.07 1fpmB1 LYS 15 HG2 -0.02 -0.03 0.01 -0.04 1.46 1.38 1fpmB1 LYS 15 HG3 -0.04 0.05 0.01 -0.04 1.46 1.44 1fpmB1 LYS 15 HD2 -0.02 -0.00 -0.06 -0.04 1.69 1.56 1fpmB1 LYS 15 HD3 -0.05 0.14 -0.13 -0.04 1.68 1.60 1fpmB1 LYS 15 HE2 -0.01 -0.08 0.06 -0.04 2.99 2.92 1fpmB1 LYS 15 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 1fpmB1 MET 16 H -0.15 0.01 0.10 -0.55 8.47 7.87 1fpmB1 MET 16 HA -0.23 0.29 0.81 -0.75 4.52 4.63 1fpmB1 MET 16 HB2 -0.74 -0.08 -0.00 -0.04 2.15 1.29 1fpmB1 MET 16 HB3 -0.91 0.03 0.05 -0.04 2.03 1.16 1fpmB1 MET 16 HG2 -0.20 0.12 -0.12 -0.04 2.63 2.39 1fpmB1 MET 16 HG3 -0.16 -0.07 -0.26 -0.04 2.56 2.02 1fpmB1 MET 16 HE3 0.05 -0.02 -0.07 -0.04 2.10 2.02 1fpmB1 LYS 17 H -0.35 0.20 0.12 -0.55 8.42 7.83 1fpmB1 LYS 17 HA -0.08 0.19 0.85 -0.75 4.32 4.52 1fpmB1 LYS 17 HB2 -0.08 -0.01 -0.04 -0.04 1.87 1.71 1fpmB1 LYS 17 HB3 -0.03 0.06 0.00 -0.04 1.79 1.78 1fpmB1 LYS 17 HG2 -0.05 0.14 -0.12 -0.04 1.46 1.38 1fpmB1 LYS 17 HG3 -0.07 0.00 -0.36 -0.04 1.46 0.99 1fpmB1 LYS 17 HD2 -0.03 0.04 -0.07 -0.04 1.69 1.59 1fpmB1 LYS 17 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 1fpmB1 LYS 17 HE2 -0.02 -0.02 -0.04 -0.04 2.99 2.88 1fpmB1 LYS 17 HE3 -0.02 0.02 -0.07 -0.04 2.99 2.87 1fpmB1 PRO 18 HA 0.22 0.22 0.54 -0.51 4.44 4.90 1fpmB1 PRO 18 HB2 0.05 -0.06 0.14 -0.04 2.28 2.37 1fpmB1 PRO 18 HB3 0.07 0.02 0.13 -0.04 2.02 2.19 1fpmB1 PRO 18 HG2 0.07 0.06 0.10 -0.04 2.03 2.22 1fpmB1 PRO 18 HG3 0.15 0.04 0.09 -0.04 2.03 2.27 1fpmB1 PRO 18 HD2 0.04 0.13 0.20 -0.04 3.68 4.02 1fpmB1 PRO 18 HD3 0.11 0.17 0.20 -0.04 3.65 4.10 1fpmB1 VAL 19 H 0.12 0.43 0.31 -0.55 8.24 8.55 1fpmB1 VAL 19 HA 0.01 0.14 0.41 -0.75 4.13 3.93 1fpmB1 VAL 19 HB 0.04 -0.03 -0.12 -0.04 2.12 1.96 1fpmB1 VAL 19 HG13 -0.02 0.02 -0.25 -0.04 0.97 0.69 1fpmB1 VAL 19 HG23 0.06 0.03 -0.17 -0.04 0.95 0.83 1fpmB1 MET 20 H 0.04 0.11 -0.09 -0.55 8.47 7.98 1fpmB1 MET 20 HA 0.01 0.13 0.23 -0.75 4.52 4.14 1fpmB1 MET 20 HB2 0.02 -0.03 0.09 -0.04 2.15 2.18 1fpmB1 MET 20 HB3 0.02 0.02 -0.09 -0.04 2.03 1.93 1fpmB1 MET 20 HG2 0.02 0.04 0.00 -0.04 2.63 2.65 1fpmB1 MET 20 HG3 0.01 -0.01 -0.01 -0.04 2.56 2.51 1fpmB1 MET 20 HE3 0.02 -0.01 0.06 -0.04 2.10 2.13 1fpmB1 GLU 21 H 0.02 0.07 -0.61 -0.55 8.60 7.53 1fpmB1 GLU 21 HA 0.01 0.06 0.40 -0.75 4.29 4.00 1fpmB1 GLU 21 HB2 0.02 -0.09 0.05 -0.04 2.09 2.03 1fpmB1 GLU 21 HB3 0.01 0.23 0.07 -0.04 1.99 2.26 1fpmB1 GLU 21 HG2 0.00 -0.03 -0.06 -0.04 2.34 2.21 1fpmB1 GLU 21 HG3 0.01 -0.03 0.01 -0.04 2.34 2.28 1fpmB1 LEU 22 H -0.00 0.32 -0.11 -0.55 8.37 8.03 1fpmB1 LEU 22 HA -0.02 0.06 0.33 -0.75 4.35 3.96 1fpmB1 LEU 22 HB2 -0.04 0.05 -0.01 -0.04 1.64 1.61 1fpmB1 LEU 22 HB3 -0.05 0.07 -0.00 -0.04 1.64 1.62 1fpmB1 LEU 22 HG -0.01 0.16 0.13 -0.04 1.64 1.88 1fpmB1 LEU 22 HD13 -0.05 -0.01 -0.15 -0.04 0.93 0.68 1fpmB1 LEU 22 HD23 -0.03 -0.04 -0.06 -0.04 0.89 0.72 1fpmB1 ALA 23 H -0.01 0.66 -0.33 -0.55 8.40 8.17 1fpmB1 ALA 23 HA -0.02 0.06 0.18 -0.75 4.34 3.80 1fpmB1 ALA 23 HB3 0.00 0.02 -0.09 -0.04 1.41 1.31 1fpmB1 ARG 24 H -0.00 0.27 -0.67 -0.55 8.46 7.50 1fpmB1 ARG 24 HA 0.00 0.03 0.58 -0.75 4.34 4.20 1fpmB1 ARG 24 HB2 -0.00 0.30 0.32 -0.04 1.90 2.48 1fpmB1 ARG 24 HB3 -0.00 -0.11 0.05 -0.04 1.80 1.71 1fpmB1 ARG 24 HG2 0.00 -0.10 0.05 -0.04 1.67 1.59 1fpmB1 ARG 24 HG3 0.01 0.20 0.09 -0.04 1.67 1.93 1fpmB1 ARG 24 HD2 0.01 -0.12 0.03 -0.04 3.22 3.10 1fpmB1 ARG 24 HD3 0.00 -0.04 0.03 -0.04 3.22 3.17 1fpmB1 GLY 25 H -0.01 0.61 0.11 -0.55 8.43 8.60 1fpmB1 GLY 25 HA2 -0.01 -0.02 0.38 -0.51 4.01 3.85 1fpmB1 GLY 25 HA3 -0.01 -0.05 0.39 -0.51 4.01 3.83 1fpmB1 LEU 26 H -0.01 0.30 -0.34 -0.55 8.37 7.77 1fpmB1 LEU 26 HA -0.02 0.07 0.49 -0.75 4.35 4.14 1fpmB1 LEU 26 HB2 -0.04 0.09 -0.21 -0.04 1.64 1.44 1fpmB1 LEU 26 HB3 -0.02 -0.00 -0.21 -0.04 1.64 1.37 1fpmB1 LEU 26 HG 0.00 0.00 0.04 -0.04 1.64 1.64 1fpmB1 LEU 26 HD13 -0.03 0.03 0.10 -0.04 0.93 0.99 1fpmB1 LEU 26 HD23 -0.04 -0.05 -0.12 -0.04 0.89 0.65 1fpmB1 GLY 27 H -0.00 0.36 0.25 -0.55 8.43 8.49 1fpmB1 GLY 27 HA2 0.00 -0.07 0.37 -0.51 4.01 3.80 1fpmB1 GLY 27 HA3 0.00 0.15 0.74 -0.51 4.01 4.39 1fpmB1 ILE 28 H 0.01 0.40 0.29 -0.55 8.25 8.40 1fpmB1 ILE 28 HA 0.03 0.11 0.90 -0.75 4.18 4.46 1fpmB1 ILE 28 HB 0.02 -0.04 -0.05 -0.04 1.89 1.78 1fpmB1 ILE 28 HG12 0.05 0.02 -0.21 -0.04 1.49 1.31 1fpmB1 ILE 28 HG13 0.02 0.02 -0.32 -0.04 1.21 0.89 1fpmB1 ILE 28 HG23 0.04 0.00 -0.08 -0.04 0.93 0.86 1fpmB1 ILE 28 HD13 0.02 -0.06 -0.06 -0.04 0.88 0.74 1fpmB1 GLN 29 H 0.02 0.15 0.06 -0.55 8.47 8.15 1fpmB1 GLN 29 HA 0.01 0.06 0.42 -0.75 4.36 4.10 1fpmB1 GLN 29 HB2 0.02 -0.04 0.00 -0.04 2.15 2.09 1fpmB1 GLN 29 HB3 0.01 -0.05 0.05 -0.04 2.02 1.99 1fpmB1 GLN 29 HG2 0.01 0.06 -0.01 -0.04 2.40 2.41 1fpmB1 GLN 29 HG3 0.01 0.07 0.05 -0.04 2.39 2.49 1fpmB1 GLN 29 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 1fpmB1 GLN 29 HE22 0.01 0.09 -0.01 -0.04 7.69 7.73 1fpmB1 GLU 30 H 0.01 0.15 0.16 -0.55 8.60 8.37 1fpmB1 GLU 30 HA 0.02 0.15 0.28 -0.75 4.29 3.98 1fpmB1 GLU 30 HB2 0.01 0.05 0.11 -0.04 2.09 2.22 1fpmB1 GLU 30 HB3 0.01 -0.05 0.12 -0.04 1.99 2.04 1fpmB1 GLU 30 HG2 0.01 -0.02 -0.25 -0.04 2.34 2.04 1fpmB1 GLU 30 HG3 0.01 0.02 -0.04 -0.04 2.34 2.29 1fpmB1 ASP 31 H 0.01 0.02 -0.46 -0.55 8.40 7.43 1fpmB1 ASP 31 HA 0.02 0.11 0.43 -0.75 4.63 4.43 1fpmB1 ASP 31 HB2 0.02 0.01 0.14 -0.04 2.71 2.84 1fpmB1 ASP 31 HB3 0.01 -0.02 0.05 -0.04 2.70 2.70 1fpmB1 GLU 32 H 0.03 0.52 -0.85 -0.55 8.60 7.75 1fpmB1 GLU 32 HA 0.04 0.09 0.85 -0.75 4.29 4.51 1fpmB1 GLU 32 HB2 0.04 0.15 0.07 -0.04 2.09 2.31 1fpmB1 GLU 32 HB3 0.05 -0.14 0.16 -0.04 1.99 2.02 1fpmB1 GLU 32 HG2 0.03 0.04 -0.26 -0.04 2.34 2.10 1fpmB1 GLU 32 HG3 0.02 -0.07 -0.32 -0.04 2.34 1.93 1fpmB1 VAL 33 H 0.03 0.27 -0.16 -0.55 8.24 7.83 1fpmB1 VAL 33 HA 0.05 0.35 0.63 -0.75 4.13 4.40 1fpmB1 VAL 33 HB 0.03 0.01 -0.08 -0.04 2.12 2.04 1fpmB1 VAL 33 HG13 0.03 -0.06 -0.37 -0.04 0.97 0.53 1fpmB1 VAL 33 HG23 0.03 0.06 -0.19 -0.04 0.95 0.81 1fpmB1 GLU 34 H 0.06 0.95 0.18 -0.55 8.60 9.25 1fpmB1 GLU 34 HA 0.08 0.09 0.76 -0.75 4.29 4.46 1fpmB1 GLU 34 HB2 0.10 -0.01 0.02 -0.04 2.09 2.16 1fpmB1 GLU 34 HB3 0.17 -0.05 0.21 -0.04 1.99 2.28 1fpmB1 GLU 34 HG2 0.35 -0.01 -0.03 -0.04 2.34 2.60 1fpmB1 GLU 34 HG3 0.15 0.08 -0.08 -0.04 2.34 2.45 1fpmB1 LEU 35 H 0.07 0.16 0.12 -0.55 8.37 8.17 1fpmB1 LEU 35 HA 0.11 0.16 0.73 -0.75 4.35 4.59 1fpmB1 LEU 35 HB2 0.03 -0.08 0.14 -0.04 1.64 1.69 1fpmB1 LEU 35 HB3 0.04 0.36 0.15 -0.04 1.64 2.14 1fpmB1 LEU 35 HG 0.03 0.06 0.01 -0.04 1.64 1.70 1fpmB1 LEU 35 HD13 0.01 -0.02 0.04 -0.04 0.93 0.92 1fpmB1 LEU 35 HD23 0.03 -0.02 -0.13 -0.04 0.89 0.73 1fpmB1 TYR 36 H 0.16 0.65 0.15 -0.55 8.29 8.70 1fpmB1 TYR 36 HA -0.05 0.12 0.75 -0.75 4.56 4.63 1fpmB1 TYR 36 HB2 -0.11 -0.03 0.04 -0.04 3.06 2.92 1fpmB1 TYR 36 HB3 -0.09 -0.02 0.11 -0.04 2.98 2.94 1fpmB1 TYR 36 HD2 -0.05 -0.05 -0.46 -0.04 7.15 6.56 1fpmB1 TYR 36 HE2 -0.01 0.06 -0.06 -0.04 6.85 6.80 1fpmB1 GLY 37 H 0.01 0.20 -0.16 -0.55 8.43 7.93 1fpmB1 GLY 37 HA2 -0.05 0.05 0.31 -0.51 4.01 3.81 1fpmB1 GLY 37 HA3 -0.03 0.15 0.82 -0.51 4.01 4.44 1fpmB1 LYS 38 H -0.21 0.15 0.15 -0.55 8.42 7.96 1fpmB1 LYS 38 HA -0.06 0.18 0.71 -0.75 4.32 4.39 1fpmB1 LYS 38 HB2 -0.60 0.01 0.07 -0.04 1.87 1.31 1fpmB1 LYS 38 HB3 -0.20 -0.00 0.10 -0.04 1.79 1.65 1fpmB1 LYS 38 HG2 -0.15 -0.04 0.00 -0.04 1.46 1.23 1fpmB1 LYS 38 HG3 -0.15 0.05 0.02 -0.04 1.46 1.33 1fpmB1 LYS 38 HD2 -0.05 -0.01 0.05 -0.04 1.69 1.64 1fpmB1 LYS 38 HD3 -0.06 0.04 -0.07 -0.04 1.68 1.55 1fpmB1 LYS 38 HE2 -0.06 -0.01 -0.04 -0.04 2.99 2.85 1fpmB1 LYS 38 HE3 -0.05 0.02 -0.00 -0.04 2.99 2.91 1fpmB1 TYR 39 H -0.05 0.05 -0.14 -0.55 8.29 7.60 1fpmB1 TYR 39 HA -0.02 0.24 1.00 -0.75 4.56 5.03 1fpmB1 TYR 39 HB2 -0.01 -0.03 0.08 -0.04 3.06 3.06 1fpmB1 TYR 39 HB3 -0.01 0.07 0.20 -0.04 2.98 3.19 1fpmB1 TYR 39 HD2 -0.01 0.14 -0.27 -0.04 7.15 6.97 1fpmB1 TYR 39 HE2 -0.00 0.01 -0.21 -0.04 6.85 6.60 1fpmB1 LYS 40 H 0.04 0.25 -0.26 -0.55 8.42 7.89 1fpmB1 LYS 40 HA -0.05 0.39 0.68 -0.75 4.32 4.59 1fpmB1 LYS 40 HB2 -0.14 -0.01 -0.04 -0.04 1.87 1.65 1fpmB1 LYS 40 HB3 -0.33 -0.01 0.07 -0.04 1.79 1.47 1fpmB1 LYS 40 HG2 -0.06 0.24 -0.15 -0.04 1.46 1.46 1fpmB1 LYS 40 HG3 -0.01 -0.21 -0.39 -0.04 1.46 0.81 1fpmB1 LYS 40 HD2 -0.49 -0.02 -0.09 -0.04 1.69 1.05 1fpmB1 LYS 40 HD3 -0.07 -0.12 -0.05 -0.04 1.68 1.40 1fpmB1 LYS 40 HE2 -0.09 -0.02 -0.11 -0.04 2.99 2.72 1fpmB1 LYS 40 HE3 -0.01 0.44 0.10 -0.04 2.99 3.47 1fpmB1 ALA 41 H -0.09 0.30 0.23 -0.55 8.40 8.29 1fpmB1 ALA 41 HA -0.06 0.12 0.72 -0.75 4.34 4.37 1fpmB1 ALA 41 HB3 0.01 0.01 -0.31 -0.04 1.41 1.08 1fpmB1 LYS 42 H -0.12 0.53 0.25 -0.55 8.42 8.53 1fpmB1 LYS 42 HA -0.08 0.26 0.49 -0.75 4.32 4.23 1fpmB1 LYS 42 HB2 0.03 -0.08 0.20 -0.04 1.87 1.97 1fpmB1 LYS 42 HB3 -0.01 0.03 -0.07 -0.04 1.79 1.69 1fpmB1 LYS 42 HG2 -0.64 -0.14 0.02 -0.04 1.46 0.65 1fpmB1 LYS 42 HG3 -0.13 -0.03 0.03 -0.04 1.46 1.29 1fpmB1 LYS 42 HD2 -0.09 0.07 0.01 -0.04 1.69 1.65 1fpmB1 LYS 42 HD3 -0.18 0.08 -0.29 -0.04 1.68 1.24 1fpmB1 LYS 42 HE2 -0.29 -0.22 -0.02 -0.04 2.99 2.42 1fpmB1 LYS 42 HE3 -0.09 -0.02 -0.01 -0.04 2.99 2.82 1fpmB1 ILE 43 H 0.07 0.64 0.24 -0.55 8.25 8.65 1fpmB1 ILE 43 HA 0.07 0.19 0.87 -0.75 4.18 4.55 1fpmB1 ILE 43 HB 0.23 -0.01 0.04 -0.04 1.89 2.12 1fpmB1 ILE 43 HG12 0.08 -0.04 -0.21 -0.04 1.49 1.28 1fpmB1 ILE 43 HG13 0.19 0.10 -0.12 -0.04 1.21 1.34 1fpmB1 ILE 43 HG23 0.12 0.07 0.05 -0.04 0.93 1.13 1fpmB1 ILE 43 HD13 0.16 -0.01 -0.11 -0.04 0.88 0.88 1fpmB1 SER 44 H 0.06 0.23 0.01 -0.55 8.46 8.21 1fpmB1 SER 44 HA 0.04 0.11 0.40 -0.75 4.49 4.29 1fpmB1 SER 44 HB2 0.04 0.09 0.08 -0.04 3.95 4.12 1fpmB1 SER 44 HB3 0.05 0.03 0.10 -0.04 3.93 4.07 1fpmB1 LEU 45 H 0.04 0.13 0.18 -0.55 8.37 8.17 1fpmB1 LEU 45 HA 0.05 0.22 0.55 -0.75 4.35 4.41 1fpmB1 LEU 45 HB2 0.03 -0.06 0.13 -0.04 1.64 1.70 1fpmB1 LEU 45 HB3 0.04 0.00 0.06 -0.04 1.64 1.71 1fpmB1 LEU 45 HG -0.01 0.12 0.10 -0.04 1.64 1.81 1fpmB1 LEU 45 HD13 0.03 0.08 -0.10 -0.04 0.93 0.90 1fpmB1 LEU 45 HD23 -0.00 -0.02 0.09 -0.04 0.89 0.92 1fpmB1 ASP 46 H 0.05 0.02 -0.17 -0.55 8.40 7.76 1fpmB1 ASP 46 HA 0.05 0.06 0.33 -0.75 4.63 4.32 1fpmB1 ASP 46 HB2 0.04 -0.00 0.00 -0.04 2.71 2.71 1fpmB1 ASP 46 HB3 0.03 0.06 -0.03 -0.04 2.70 2.72 1fpmB1 VAL 47 H 0.07 0.16 -0.50 -0.55 8.24 7.42 1fpmB1 VAL 47 HA 0.04 0.02 0.32 -0.75 4.13 3.76 1fpmB1 VAL 47 HB 0.10 0.06 0.07 -0.04 2.12 2.31 1fpmB1 VAL 47 HG13 0.09 0.05 -0.18 -0.04 0.97 0.89 1fpmB1 VAL 47 HG23 0.07 -0.03 0.03 -0.04 0.95 0.98 1fpmB1 TYR 48 H 0.18 0.11 -0.12 -0.55 8.29 7.92 1fpmB1 TYR 48 HA 0.01 0.16 0.29 -0.75 4.56 4.26 1fpmB1 TYR 48 HB2 -0.01 0.01 0.09 -0.04 3.06 3.12 1fpmB1 TYR 48 HB3 0.00 -0.03 0.17 -0.04 2.98 3.08 1fpmB1 TYR 48 HD2 -0.01 -0.01 -0.12 -0.04 7.15 6.98 1fpmB1 TYR 48 HE2 -0.01 0.03 -0.05 -0.04 6.85 6.78 1fpmB1 ARG 49 H 0.30 0.23 -0.06 -0.55 8.46 8.37 1fpmB1 ARG 49 HA -0.02 0.00 0.29 -0.75 4.34 3.86 1fpmB1 ARG 49 HB2 0.14 -0.03 0.07 -0.04 1.90 2.04 1fpmB1 ARG 49 HB3 0.05 0.07 0.05 -0.04 1.80 1.93 1fpmB1 ARG 49 HG2 0.05 -0.01 0.02 -0.04 1.67 1.69 1fpmB1 ARG 49 HG3 0.05 -0.09 -0.03 -0.04 1.67 1.55 1fpmB1 ARG 49 HD2 0.01 -0.00 -0.18 -0.04 3.22 3.01 1fpmB1 ARG 49 HD3 -0.01 0.07 -0.55 -0.04 3.22 2.69 1fpmB1 ARG 50 H -0.02 0.45 -0.32 -0.55 8.46 8.01 1fpmB1 ARG 50 HA -0.04 -0.01 0.64 -0.75 4.34 4.18 1fpmB1 ARG 50 HB2 -0.02 -0.09 0.10 -0.04 1.90 1.85 1fpmB1 ARG 50 HB3 -0.01 -0.08 0.12 -0.04 1.80 1.80 1fpmB1 ARG 50 HG2 0.00 0.10 0.17 -0.04 1.67 1.90 1fpmB1 ARG 50 HG3 -0.03 0.10 0.19 -0.04 1.67 1.89 1fpmB1 ARG 50 HD2 -0.01 -0.02 -0.03 -0.04 3.22 3.11 1fpmB1 ARG 50 HD3 -0.00 -0.12 0.01 -0.04 3.22 3.07 1fpmB1 LEU 51 H -0.08 0.64 0.19 -0.55 8.37 8.56 1fpmB1 LEU 51 HA -0.08 -0.05 0.61 -0.75 4.35 4.08 1fpmB1 LEU 51 HB2 -0.08 0.06 0.11 -0.04 1.64 1.69 1fpmB1 LEU 51 HB3 -0.06 -0.00 0.17 -0.04 1.64 1.70 1fpmB1 LEU 51 HG -0.01 0.14 0.09 -0.04 1.64 1.81 1fpmB1 LEU 51 HD13 -0.01 0.01 -0.03 -0.04 0.93 0.86 1fpmB1 LEU 51 HD23 -0.03 -0.06 -0.05 -0.04 0.89 0.72 1fpmB1 LYS 52 H -0.19 0.16 -1.28 -0.55 8.42 6.55 1fpmB1 LYS 52 HA -0.64 0.01 0.22 -0.75 4.32 3.16 1fpmB1 LYS 52 HB2 -0.24 0.29 0.11 -0.04 1.87 1.98 1fpmB1 LYS 52 HB3 -0.13 -0.10 0.08 -0.04 1.79 1.59 1fpmB1 LYS 52 HG2 -0.11 0.01 -0.17 -0.04 1.46 1.16 1fpmB1 LYS 52 HG3 -0.23 -0.04 -0.01 -0.04 1.46 1.14 1fpmB1 LYS 52 HD2 -0.03 -0.02 0.04 -0.04 1.69 1.63 1fpmB1 LYS 52 HD3 -0.04 -0.03 -0.00 -0.04 1.68 1.57 1fpmB1 LYS 52 HE2 0.02 0.03 -0.03 -0.04 2.99 2.98 1fpmB1 LYS 52 HE3 0.09 -0.02 -0.01 -0.04 2.99 3.00 1fpmB1 ASP 53 H -0.10 0.07 -0.15 -0.55 8.40 7.67 1fpmB1 ASP 53 HA -0.06 0.15 0.65 -0.75 4.63 4.61 1fpmB1 ASP 53 HB2 -0.05 -0.02 0.05 -0.04 2.71 2.64 1fpmB1 ASP 53 HB3 -0.03 -0.03 0.03 -0.04 2.70 2.63 1fpmB1 LYS 54 H -0.08 -0.04 -0.22 -0.55 8.42 7.52 1fpmB1 LYS 54 HA -0.04 -0.07 0.34 -0.75 4.32 3.79 1fpmB1 LYS 54 HB2 -0.06 0.16 0.07 -0.04 1.87 2.00 1fpmB1 LYS 54 HB3 -0.04 0.14 0.07 -0.04 1.79 1.92 1fpmB1 LYS 54 HG2 -0.05 -0.12 0.12 -0.04 1.46 1.37 1fpmB1 LYS 54 HG3 -0.04 0.01 0.07 -0.04 1.46 1.46 1fpmB1 LYS 54 HD2 -0.03 0.04 0.07 -0.04 1.69 1.73 1fpmB1 LYS 54 HD3 -0.03 -0.02 0.04 -0.04 1.68 1.63 1fpmB1 LYS 54 HE2 -0.03 -0.02 0.03 -0.04 2.99 2.93 1fpmB1 LYS 54 HE3 -0.03 -0.01 0.02 -0.04 2.99 2.94 1fpmB1 PRO 55 HA -0.03 -0.04 0.54 -0.51 4.44 4.40 1fpmB1 PRO 55 HB2 -0.03 0.13 0.08 -0.04 2.28 2.41 1fpmB1 PRO 55 HB3 -0.02 -0.09 0.16 -0.04 2.02 2.02 1fpmB1 PRO 55 HG2 -0.04 0.15 0.20 -0.04 2.03 2.29 1fpmB1 PRO 55 HG3 -0.03 -0.08 0.13 -0.04 2.03 2.01 1fpmB1 PRO 55 HD2 -0.03 0.01 0.25 -0.04 3.68 3.87 1fpmB1 PRO 55 HD3 -0.03 0.03 0.21 -0.04 3.65 3.82 1fpmB1 ASP 56 H -0.03 -0.02 0.16 -0.55 8.40 7.96 1fpmB1 ASP 56 HA -0.04 0.07 0.22 -0.75 4.63 4.13 1fpmB1 ASP 56 HB2 -0.04 -0.03 0.15 -0.04 2.71 2.75 1fpmB1 ASP 56 HB3 -0.07 -0.23 0.20 -0.04 2.70 2.57 1fpmB1 GLY 57 H -0.05 0.07 0.09 -0.55 8.43 7.99 1fpmB1 GLY 57 HA2 -0.05 0.13 0.72 -0.51 4.01 4.30 1fpmB1 GLY 57 HA3 -0.05 0.07 0.07 -0.51 4.01 3.60 1fpmB1 LYS 58 H 0.14 0.43 0.46 -0.55 8.42 8.89 1fpmB1 LYS 58 HA 0.07 0.16 0.65 -0.75 4.32 4.45 1fpmB1 LYS 58 HB2 0.26 -0.15 0.05 -0.04 1.87 1.98 1fpmB1 LYS 58 HB3 0.10 -0.07 0.11 -0.04 1.79 1.89 1fpmB1 LYS 58 HG2 0.48 0.13 0.07 -0.04 1.46 2.10 1fpmB1 LYS 58 HG3 0.22 -0.01 -0.01 -0.04 1.46 1.62 1fpmB1 LYS 58 HD2 0.09 0.05 0.01 -0.04 1.69 1.80 1fpmB1 LYS 58 HD3 0.09 0.02 -0.22 -0.04 1.68 1.53 1fpmB1 LYS 58 HE2 0.12 0.04 -0.01 -0.04 2.99 3.10 1fpmB1 LYS 58 HE3 0.14 -0.02 -0.02 -0.04 2.99 3.06 1fpmB1 LEU 59 H 0.06 0.13 0.02 -0.55 8.37 8.03 1fpmB1 LEU 59 HA 0.06 0.31 0.80 -0.75 4.35 4.77 1fpmB1 LEU 59 HB2 0.04 0.06 -0.22 -0.04 1.64 1.47 1fpmB1 LEU 59 HB3 0.09 -0.07 0.22 -0.04 1.64 1.84 1fpmB1 LEU 59 HG 0.17 -0.04 -0.07 -0.04 1.64 1.66 1fpmB1 LEU 59 HD13 0.01 0.05 -0.04 -0.04 0.93 0.91 1fpmB1 LEU 59 HD23 0.25 -0.00 -0.05 -0.04 0.89 1.05 1fpmB1 ILE 60 H 0.04 0.17 -0.11 -0.55 8.25 7.80 1fpmB1 ILE 60 HA -0.00 0.06 0.23 -0.75 4.18 3.72 1fpmB1 ILE 60 HB 0.00 -0.06 0.10 -0.04 1.89 1.90 1fpmB1 ILE 60 HG12 -0.04 0.08 -0.13 -0.04 1.49 1.36 1fpmB1 ILE 60 HG13 0.01 -0.06 -0.11 -0.04 1.21 1.01 1fpmB1 ILE 60 HG23 -0.02 -0.00 -0.18 -0.04 0.93 0.68 1fpmB1 ILE 60 HD13 -0.07 0.00 -0.14 -0.04 0.88 0.63 1fpmB1 LEU 61 H -0.03 0.67 0.09 -0.55 8.37 8.56 1fpmB1 LEU 61 HA -0.12 0.16 0.58 -0.75 4.35 4.22 1fpmB1 LEU 61 HB2 -0.31 -0.03 0.10 -0.04 1.64 1.35 1fpmB1 LEU 61 HB3 -0.20 0.13 0.27 -0.04 1.64 1.81 1fpmB1 LEU 61 HG -0.45 -0.05 -0.34 -0.04 1.64 0.77 1fpmB1 LEU 61 HD13 -0.55 0.13 -0.08 -0.04 0.93 0.39 1fpmB1 LEU 61 HD23 -1.71 -0.01 -0.04 -0.04 0.89 -0.91 1fpmB1 VAL 62 H -0.08 0.49 0.34 -0.55 8.24 8.43 1fpmB1 VAL 62 HA -0.07 -0.02 0.69 -0.75 4.13 3.98 1fpmB1 VAL 62 HB -0.03 -0.00 -0.03 -0.04 2.12 2.02 1fpmB1 VAL 62 HG13 -0.04 -0.01 -0.15 -0.04 0.97 0.73 1fpmB1 VAL 62 HG23 -0.04 -0.04 -0.14 -0.04 0.95 0.69 1fpmB1 THR 63 H -0.08 0.26 0.11 -0.55 8.28 8.03 1fpmB1 THR 63 HA -0.12 0.09 0.62 -0.75 4.39 4.22 1fpmB1 THR 63 HB -0.19 0.11 -0.11 -0.04 4.32 4.08 1fpmB1 THR 63 HG23 -0.08 0.14 0.04 -0.04 1.22 1.29 1fpmB1 ALA 64 H -0.14 0.31 0.17 -0.55 8.40 8.20 1fpmB1 ALA 64 HA -0.09 0.06 0.67 -0.75 4.34 4.22 1fpmB1 ALA 64 HB3 -0.08 -0.01 -0.16 -0.04 1.41 1.11 1fpmB1 ILE 65 H -0.10 0.10 -0.05 -0.55 8.25 7.65 1fpmB1 ILE 65 HA -0.41 0.16 0.39 -0.75 4.18 3.57 1fpmB1 ILE 65 HB -0.01 -0.35 0.24 -0.04 1.89 1.72 1fpmB1 ILE 65 HG12 -0.05 0.06 -0.06 -0.04 1.49 1.40 1fpmB1 ILE 65 HG13 -0.05 -0.06 -0.21 -0.04 1.21 0.85 1fpmB1 ILE 65 HG23 0.04 0.10 0.14 -0.04 0.93 1.17 1fpmB1 ILE 65 HD13 -0.01 0.02 0.05 -0.04 0.88 0.91 1fpmB1 THR 66 H 0.01 0.17 0.08 -0.55 8.28 8.00 1fpmB1 THR 66 HA -0.08 0.16 0.90 -0.75 4.39 4.62 1fpmB1 THR 66 HB 0.08 -0.05 0.17 -0.04 4.32 4.48 1fpmB1 THR 66 HG23 0.02 0.09 -0.13 -0.04 1.22 1.16 1fpmB1 PRO 67 HA -0.08 -0.11 0.33 -0.51 4.44 4.06 1fpmB1 PRO 67 HB2 -0.46 0.04 -0.07 -0.04 2.28 1.75 1fpmB1 PRO 67 HB3 -0.18 -0.05 0.06 -0.04 2.02 1.81 1fpmB1 PRO 67 HG2 -0.63 0.08 -0.14 -0.04 2.03 1.30 1fpmB1 PRO 67 HG3 -0.37 -0.04 -0.03 -0.04 2.03 1.55 1fpmB1 PRO 67 HD2 -0.17 0.24 0.26 -0.04 3.68 3.98 1fpmB1 PRO 67 HD3 -0.12 0.08 0.03 -0.04 3.65 3.60 1fpmB1 THR 68 H -0.02 0.12 0.22 -0.55 8.28 8.05 1fpmB1 THR 68 HA 0.10 0.25 0.58 -0.75 4.39 4.56 1fpmB1 THR 68 HB -0.01 0.06 0.14 -0.04 4.32 4.47 1fpmB1 THR 68 HG23 0.07 0.15 -0.15 -0.04 1.22 1.25 1fpmB1 PRO 69 HA 0.01 0.08 0.39 -0.51 4.44 4.41 1fpmB1 PRO 69 HB2 -0.02 0.02 0.14 -0.04 2.28 2.39 1fpmB1 PRO 69 HB3 -0.00 0.04 0.13 -0.04 2.02 2.14 1fpmB1 PRO 69 HG2 -0.02 0.05 -0.01 -0.04 2.03 2.00 1fpmB1 PRO 69 HG3 -0.02 0.07 0.07 -0.04 2.03 2.10 1fpmB1 PRO 69 HD2 0.00 0.18 0.22 -0.04 3.68 4.04 1fpmB1 PRO 69 HD3 0.05 0.16 0.15 -0.04 3.65 3.97 1fpmB1 ALA 70 H -0.02 -0.04 -1.00 -0.55 8.40 6.79 1fpmB1 ALA 70 HA -0.09 0.18 0.68 -0.75 4.34 4.36 1fpmB1 ALA 70 HB3 -0.07 -0.02 -0.13 -0.04 1.41 1.15 1fpmB1 GLY 71 H -0.05 0.08 -0.07 -0.55 8.43 7.85 1fpmB1 GLY 71 HA2 -0.07 -0.02 0.29 -0.51 4.01 3.70 1fpmB1 GLY 71 HA3 -0.13 0.19 0.68 -0.51 4.01 4.23 1fpmB1 GLU 72 H -0.04 0.14 0.09 -0.55 8.60 8.25 1fpmB1 GLU 72 HA -0.04 0.11 0.38 -0.75 4.29 3.99 1fpmB1 GLU 72 HB2 -0.05 -0.16 0.11 -0.04 2.09 1.95 1fpmB1 GLU 72 HB3 -0.05 0.09 0.06 -0.04 1.99 2.04 1fpmB1 GLU 72 HG2 -0.05 0.11 0.08 -0.04 2.34 2.44 1fpmB1 GLU 72 HG3 -0.04 0.05 0.15 -0.04 2.34 2.46 1fpmB1 GLY 73 H -0.03 0.07 0.08 -0.55 8.43 8.01 1fpmB1 GLY 73 HA2 0.01 -0.00 0.20 -0.51 4.01 3.71 1fpmB1 GLY 73 HA3 -0.00 0.26 0.75 -0.51 4.01 4.51 1fpmB1 LYS 74 H -0.03 -0.01 -0.06 -0.55 8.42 7.76 1fpmB1 LYS 74 HA -0.04 0.16 0.18 -0.75 4.32 3.87 1fpmB1 LYS 74 HB2 -0.06 -0.08 0.04 -0.04 1.87 1.72 1fpmB1 LYS 74 HB3 -0.06 -0.10 0.07 -0.04 1.79 1.66 1fpmB1 LYS 74 HG2 -0.07 0.05 -0.22 -0.04 1.46 1.18 1fpmB1 LYS 74 HG3 -0.07 -0.00 -0.27 -0.04 1.46 1.07 1fpmB1 LYS 74 HD2 -0.10 -0.10 -0.01 -0.04 1.69 1.44 1fpmB1 LYS 74 HD3 -0.10 0.41 0.02 -0.04 1.68 1.97 1fpmB1 LYS 74 HE2 -0.09 0.05 -0.04 -0.04 2.99 2.87 1fpmB1 LYS 74 HE3 -0.08 -0.00 -0.15 -0.04 2.99 2.72 1fpmB1 THR 75 H -0.03 0.02 -0.12 -0.55 8.28 7.61 1fpmB1 THR 75 HA -0.02 0.21 0.35 -0.75 4.39 4.17 1fpmB1 THR 75 HB -0.01 -0.08 0.10 -0.04 4.32 4.29 1fpmB1 THR 75 HG23 -0.02 0.03 -0.13 -0.04 1.22 1.06 1fpmB1 THR 76 H 0.03 0.09 -0.23 -0.55 8.28 7.62 1fpmB1 THR 76 HA 0.05 0.03 0.23 -0.75 4.39 3.94 1fpmB1 THR 76 HB 0.10 -0.10 0.02 -0.04 4.32 4.29 1fpmB1 THR 76 HG23 0.18 0.07 -0.32 -0.04 1.22 1.11 1fpmB1 THR 77 H 0.06 0.23 -0.17 -0.55 8.28 7.84 1fpmB1 THR 77 HA 0.05 -0.10 0.19 -0.75 4.39 3.79 1fpmB1 THR 77 HB 0.01 0.23 -0.05 -0.04 4.32 4.47 1fpmB1 THR 77 HG23 0.02 0.00 -0.19 -0.04 1.22 1.01 1fpmB1 SER 78 H 0.01 0.23 -0.59 -0.55 8.46 7.56 1fpmB1 SER 78 HA -0.00 0.01 0.34 -0.75 4.49 4.08 1fpmB1 SER 78 HB2 -0.01 0.08 0.18 -0.04 3.95 4.17 1fpmB1 SER 78 HB3 -0.01 -0.01 -0.06 -0.04 3.93 3.82 1fpmB1 VAL 79 H 0.02 0.58 0.17 -0.55 8.24 8.46 1fpmB1 VAL 79 HA 0.02 0.15 0.67 -0.75 4.13 4.21 1fpmB1 VAL 79 HB 0.02 0.10 0.27 -0.04 2.12 2.46 1fpmB1 VAL 79 HG13 0.01 -0.04 -0.03 -0.04 0.97 0.86 1fpmB1 VAL 79 HG23 0.01 0.05 0.10 -0.04 0.95 1.07 1fpmB1 GLY 80 H 0.03 0.68 0.02 -0.55 8.43 8.62 1fpmB1 GLY 80 HA2 0.04 0.02 0.27 -0.51 4.01 3.83 1fpmB1 GLY 80 HA3 0.05 -0.06 0.08 -0.51 4.01 3.57 1fpmB1 LEU 81 H 0.02 0.40 -0.72 -0.55 8.37 7.52 1fpmB1 LEU 81 HA 0.01 0.04 0.53 -0.75 4.35 4.18 1fpmB1 LEU 81 HB2 0.01 -0.01 0.02 -0.04 1.64 1.62 1fpmB1 LEU 81 HB3 0.01 0.24 0.03 -0.04 1.64 1.88 1fpmB1 LEU 81 HG -0.01 -0.06 -0.21 -0.04 1.64 1.33 1fpmB1 LEU 81 HD13 -0.01 -0.00 -0.06 -0.04 0.93 0.81 1fpmB1 LEU 81 HD23 -0.01 0.02 -0.11 -0.04 0.89 0.74 1fpmB1 THR 82 H 0.02 0.47 -0.15 -0.55 8.28 8.06 1fpmB1 THR 82 HA 0.02 0.04 0.58 -0.75 4.39 4.27 1fpmB1 THR 82 HB 0.02 0.05 0.17 -0.04 4.32 4.52 1fpmB1 THR 82 HG23 0.03 0.00 -0.07 -0.04 1.22 1.13 1fpmB1 ASP 83 H 0.02 0.33 -0.18 -0.55 8.40 8.02 1fpmB1 ASP 83 HA 0.01 0.09 0.44 -0.75 4.63 4.41 1fpmB1 ASP 83 HB2 0.02 0.05 0.12 -0.04 2.71 2.86 1fpmB1 ASP 83 HB3 0.02 -0.16 0.14 -0.04 2.70 2.66 1fpmB1 ALA 84 H 0.01 0.05 -0.80 -0.55 8.40 7.12 1fpmB1 ALA 84 HA 0.01 0.14 0.70 -0.75 4.34 4.44 1fpmB1 ALA 84 HB3 0.01 0.06 -0.05 -0.04 1.41 1.38 1fpmB1 LEU 85 H 0.00 0.81 0.09 -0.55 8.37 8.73 1fpmB1 LEU 85 HA -0.02 0.02 0.25 -0.75 4.35 3.84 1fpmB1 LEU 85 HB2 -0.01 0.24 0.20 -0.04 1.64 2.02 1fpmB1 LEU 85 HB3 0.02 -0.05 0.13 -0.04 1.64 1.69 1fpmB1 LEU 85 HG -0.12 0.00 -0.06 -0.04 1.64 1.43 1fpmB1 LEU 85 HD13 -0.05 -0.01 -0.14 -0.04 0.93 0.70 1fpmB1 LEU 85 HD23 -0.10 0.00 -0.25 -0.04 0.89 0.50 1fpmB1 ALA 86 H 0.03 0.39 -0.10 -0.55 8.40 8.17 1fpmB1 ALA 86 HA 0.06 -0.03 0.51 -0.75 4.34 4.12 1fpmB1 ALA 86 HB3 0.03 0.04 0.15 -0.04 1.41 1.60 1fpmB1 ARG 87 H 0.01 0.14 -0.95 -0.55 8.46 7.10 1fpmB1 ARG 87 HA 0.01 -0.01 0.38 -0.75 4.34 3.97 1fpmB1 ARG 87 HB2 0.01 0.44 0.17 -0.04 1.90 2.48 1fpmB1 ARG 87 HB3 0.01 0.10 0.14 -0.04 1.80 2.01 1fpmB1 ARG 87 HG2 0.00 -0.06 0.15 -0.04 1.67 1.72 1fpmB1 ARG 87 HG3 0.00 -0.05 0.16 -0.04 1.67 1.74 1fpmB1 ARG 87 HD2 0.00 0.12 0.12 -0.04 3.22 3.42 1fpmB1 ARG 87 HD3 0.00 -0.07 -0.08 -0.04 3.22 3.04 1fpmB1 LEU 88 H 0.02 0.13 -1.40 -0.55 8.37 6.57 1fpmB1 LEU 88 HA 0.01 0.06 0.68 -0.75 4.35 4.34 1fpmB1 LEU 88 HB2 0.01 0.20 0.04 -0.04 1.64 1.85 1fpmB1 LEU 88 HB3 0.01 -0.08 0.13 -0.04 1.64 1.65 1fpmB1 LEU 88 HG 0.00 0.19 -0.31 -0.04 1.64 1.48 1fpmB1 LEU 88 HD13 -0.01 -0.04 -0.08 -0.04 0.93 0.76 1fpmB1 LEU 88 HD23 0.00 0.01 -0.02 -0.04 0.89 0.84 1fpmB1 GLY 89 H 0.02 0.26 -0.07 -0.55 8.43 8.09 1fpmB1 GLY 89 HA2 0.02 0.02 0.39 -0.51 4.01 3.93 1fpmB1 GLY 89 HA3 0.02 -0.03 0.38 -0.51 4.01 3.86 1fpmB1 LYS 90 H 0.05 0.23 0.21 -0.55 8.42 8.35 1fpmB1 LYS 90 HA 0.12 0.19 0.88 -0.75 4.32 4.74 1fpmB1 LYS 90 HB2 0.12 -0.09 -0.34 -0.04 1.87 1.52 1fpmB1 LYS 90 HB3 0.40 -0.06 -0.15 -0.04 1.79 1.94 1fpmB1 LYS 90 HG2 0.06 0.12 -0.54 -0.04 1.46 1.06 1fpmB1 LYS 90 HG3 0.04 -0.08 -0.17 -0.04 1.46 1.22 1fpmB1 LYS 90 HD2 0.29 -0.10 0.00 -0.04 1.69 1.84 1fpmB1 LYS 90 HD3 0.13 0.25 0.18 -0.04 1.68 2.20 1fpmB1 LYS 90 HE2 0.05 0.24 0.00 -0.04 2.99 3.23 1fpmB1 LYS 90 HE3 0.04 -0.11 -0.03 -0.04 2.99 2.84 1fpmB1 ARG 91 H 0.01 0.18 0.11 -0.55 8.46 8.21 1fpmB1 ARG 91 HA -0.00 0.21 0.83 -0.75 4.34 4.63 1fpmB1 ARG 91 HB2 -0.06 0.02 0.11 -0.04 1.90 1.93 1fpmB1 ARG 91 HB3 -0.18 -0.06 0.33 -0.04 1.80 1.84 1fpmB1 ARG 91 HG2 -0.08 -0.14 0.16 -0.04 1.67 1.56 1fpmB1 ARG 91 HG3 -0.04 0.11 0.08 -0.04 1.67 1.78 1fpmB1 ARG 91 HD2 -0.05 -0.07 0.00 -0.04 3.22 3.06 1fpmB1 ARG 91 HD3 -0.09 0.02 -0.03 -0.04 3.22 3.09 1fpmB1 VAL 92 H 0.06 0.40 0.20 -0.55 8.24 8.35 1fpmB1 VAL 92 HA 0.07 0.39 0.84 -0.75 4.13 4.68 1fpmB1 VAL 92 HB 0.41 -0.06 -0.30 -0.04 2.12 2.13 1fpmB1 VAL 92 HG13 0.09 0.01 -0.14 -0.04 0.97 0.90 1fpmB1 VAL 92 HG23 0.13 0.03 -0.35 -0.04 0.95 0.71 1fpmB1 MET 93 H 0.07 0.14 0.06 -0.55 8.47 8.20 1fpmB1 MET 93 HA 0.01 0.30 0.95 -0.75 4.52 5.02 1fpmB1 MET 93 HB2 0.08 0.01 0.15 -0.04 2.15 2.35 1fpmB1 MET 93 HB3 0.01 -0.31 0.33 -0.04 2.03 2.03 1fpmB1 MET 93 HG2 -0.08 -0.00 0.04 -0.04 2.63 2.54 1fpmB1 MET 93 HG3 -0.01 0.01 -0.22 -0.04 2.56 2.30 1fpmB1 MET 93 HE3 -0.69 -0.04 -0.25 -0.04 2.10 1.07 1fpmB1 VAL 94 H 0.07 0.34 0.36 -0.55 8.24 8.47 1fpmB1 VAL 94 HA 0.06 0.25 0.63 -0.75 4.13 4.32 1fpmB1 VAL 94 HB 0.05 -0.13 0.04 -0.04 2.12 2.03 1fpmB1 VAL 94 HG13 0.04 -0.01 0.05 -0.04 0.97 1.00 1fpmB1 VAL 94 HG23 0.02 0.03 -0.28 -0.04 0.95 0.68 1fpmB1 CYS 95 H 0.07 0.26 0.07 -0.55 8.50 8.35 1fpmB1 CYS 95 HA 0.17 0.18 0.61 -0.75 4.58 4.78 1fpmB1 CYS 95 HB2 0.10 -0.05 -0.10 -0.04 2.97 2.88 1fpmB1 CYS 95 HB3 0.08 0.02 0.07 -0.04 2.97 3.09 1fpmB1 LEU 96 H 0.08 0.52 0.24 -0.55 8.37 8.66 1fpmB1 LEU 96 HA -0.00 0.20 0.88 -0.75 4.35 4.68 1fpmB1 LEU 96 HB2 -0.00 0.02 0.07 -0.04 1.64 1.68 1fpmB1 LEU 96 HB3 -0.03 -0.10 0.16 -0.04 1.64 1.63 1fpmB1 LEU 96 HG 0.03 0.04 -0.07 -0.04 1.64 1.60 1fpmB1 LEU 96 HD13 -0.01 -0.01 -0.07 -0.04 0.93 0.80 1fpmB1 LEU 96 HD23 0.00 0.04 -0.17 -0.04 0.89 0.72 1fpmB1 ARG 97 H -0.05 0.19 0.08 -0.55 8.46 8.12 1fpmB1 ARG 97 HA -0.03 0.20 0.47 -0.75 4.34 4.23 1fpmB1 ARG 97 HB2 -0.08 -0.10 -0.20 -0.04 1.90 1.48 1fpmB1 ARG 97 HB3 -0.06 0.05 -0.21 -0.04 1.80 1.54 1fpmB1 ARG 97 HG2 -0.06 0.09 -0.51 -0.04 1.67 1.15 1fpmB1 ARG 97 HG3 -0.05 -0.20 -0.82 -0.04 1.67 0.56 1fpmB1 ARG 97 HD2 -0.12 -0.01 -0.37 -0.04 3.22 2.68 1fpmB1 ARG 97 HD3 -0.12 0.05 -0.40 -0.04 3.22 2.71 1fpmB1 GLU 98 H -0.07 0.53 0.12 -0.55 8.60 8.63 1fpmB1 GLU 98 HA -0.26 0.10 0.52 -0.75 4.29 3.90 1fpmB1 GLU 98 HB2 -0.27 -0.05 0.02 -0.04 2.09 1.75 1fpmB1 GLU 98 HB3 -0.11 -0.12 -0.06 -0.04 1.99 1.66 1fpmB1 GLU 98 HG2 -0.26 0.11 -0.06 -0.04 2.34 2.09 1fpmB1 GLU 98 HG3 -0.55 -0.09 -0.03 -0.04 2.34 1.64 1fpmB1 PRO 99 HA -0.07 -0.04 0.46 -0.51 4.44 4.29 1fpmB1 PRO 99 HB2 -0.07 0.05 0.02 -0.04 2.28 2.24 1fpmB1 PRO 99 HB3 -0.08 -0.02 0.05 -0.04 2.02 1.92 1fpmB1 PRO 99 HG2 -0.10 0.13 0.02 -0.04 2.03 2.05 1fpmB1 PRO 99 HG3 -0.10 -0.02 0.00 -0.04 2.03 1.87 1fpmB1 PRO 99 HD2 -0.21 0.10 0.07 -0.04 3.68 3.60 1fpmB1 PRO 99 HD3 -0.15 0.20 0.19 -0.04 3.65 3.85 1fpmB1 SER 100 H -0.02 0.05 0.12 -0.55 8.46 8.07 1fpmB1 SER 100 HA 0.00 -0.04 0.33 -0.75 4.49 4.04 1fpmB1 SER 100 HB2 0.06 0.02 0.10 -0.04 3.95 4.08 1fpmB1 SER 100 HB3 0.03 0.03 -0.00 -0.04 3.93 3.94 1fpmB1 LEU 101 H 0.03 -0.05 0.22 -0.55 8.37 8.02 1fpmB1 LEU 101 HA -0.00 0.48 0.66 -0.75 4.35 4.73 1fpmB1 LEU 101 HB2 0.04 0.04 0.19 -0.04 1.64 1.87 1fpmB1 LEU 101 HB3 0.11 -0.01 0.31 -0.04 1.64 2.02 1fpmB1 LEU 101 HG 0.47 -0.08 -0.14 -0.04 1.64 1.85 1fpmB1 LEU 101 HD13 0.05 0.08 0.06 -0.04 0.93 1.08 1fpmB1 LEU 101 HD23 0.14 -0.02 -0.02 -0.04 0.89 0.95 1fpmB1 GLY 102 H 0.10 0.33 0.16 -0.55 8.43 8.47 1fpmB1 GLY 102 HA2 0.20 -0.02 0.39 -0.51 4.01 4.08 1fpmB1 GLY 102 HA3 0.09 -0.09 0.21 -0.51 4.01 3.72 1fpmB1 PRO 103 HA 0.02 -0.09 0.45 -0.51 4.44 4.32 1fpmB1 PRO 103 HB2 -0.04 0.18 -0.01 -0.04 2.28 2.38 1fpmB1 PRO 103 HB3 -0.01 -0.00 0.03 -0.04 2.02 1.99 1fpmB1 PRO 103 HG2 0.00 0.04 -0.09 -0.04 2.03 1.94 1fpmB1 PRO 103 HG3 0.03 -0.04 -0.08 -0.04 2.03 1.89 1fpmB1 PRO 103 HD2 0.01 0.53 -1.02 -0.04 3.68 3.15 1fpmB1 PRO 103 HD3 0.05 -0.11 -0.31 -0.04 3.65 3.23 1fpmB1 SER 104 H -0.12 0.81 -0.02 -0.55 8.46 8.59 1fpmB1 SER 104 HA -0.20 0.23 0.07 -0.75 4.49 3.83 1fpmB1 SER 104 HB2 -0.92 -0.01 -0.02 -0.04 3.95 2.97 1fpmB1 SER 104 HB3 -0.61 -0.16 -0.10 -0.04 3.93 3.02 1fpmB1 PHE 105 H -0.03 0.29 -0.28 -0.55 8.34 7.77 1fpmB1 PHE 105 HA 0.00 0.18 0.64 -0.75 4.62 4.68 1fpmB1 PHE 105 HB2 0.00 0.01 0.01 -0.04 3.15 3.13 1fpmB1 PHE 105 HB3 0.00 -0.02 0.11 -0.04 3.06 3.11 1fpmB1 PHE 105 HD2 0.00 0.04 -0.10 -0.04 7.28 7.18 1fpmB1 PHE 105 HE2 -0.01 -0.01 -0.13 -0.04 7.38 7.19 1fpmB1 PHE 105 HZ -0.05 -0.01 -0.09 -0.04 7.32 7.12 1fpmB1 GLY 106 H 0.03 0.49 -0.34 -0.55 8.43 8.07 1fpmB1 GLY 106 HA2 0.06 0.09 1.05 -0.51 4.01 4.70 1fpmB1 GLY 106 HA3 0.05 0.03 0.39 -0.51 4.01 3.97 1fpmB1 ILE 107 H 0.00 0.54 0.24 -0.55 8.25 8.48 1fpmB1 ILE 107 HA 0.00 0.18 0.92 -0.75 4.18 4.53 1fpmB1 ILE 107 HB 0.00 -0.01 0.19 -0.04 1.89 2.03 1fpmB1 ILE 107 HG12 0.01 -0.08 0.04 -0.04 1.49 1.42 1fpmB1 ILE 107 HG13 -0.01 0.23 0.11 -0.04 1.21 1.50 1fpmB1 ILE 107 HG23 0.01 -0.02 -0.08 -0.04 0.93 0.81 1fpmB1 ILE 107 HD13 -0.01 -0.02 0.00 -0.04 0.88 0.82 1fpmB1 LYS 108 H -0.02 -0.02 -0.32 -0.55 8.42 7.51 1fpmB1 LYS 108 HA -0.06 0.14 0.36 -0.75 4.32 4.01 1fpmB1 LYS 108 HB2 -0.02 0.13 -0.26 -0.04 1.87 1.69 1fpmB1 LYS 108 HB3 -0.03 -0.14 0.28 -0.04 1.79 1.87 1fpmB1 LYS 108 HG2 -0.02 0.10 0.15 -0.04 1.46 1.65 1fpmB1 LYS 108 HG3 -0.01 -0.05 -0.05 -0.04 1.46 1.32 1fpmB1 LYS 108 HD2 0.00 -0.03 -0.01 -0.04 1.69 1.60 1fpmB1 LYS 108 HD3 -0.01 -0.01 0.06 -0.04 1.68 1.68 1fpmB1 LYS 108 HE2 -0.00 0.31 0.12 -0.04 2.99 3.38 1fpmB1 LYS 108 HE3 0.00 -0.02 0.03 -0.04 2.99 2.96 1fpmB1 GLY 109 H -0.05 0.20 0.24 -0.55 8.43 8.26 1fpmB1 GLY 109 HA2 -0.07 0.19 0.71 -0.51 4.01 4.33 1fpmB1 GLY 109 HA3 -0.09 -0.02 0.29 -0.51 4.01 3.68 1fpmB1 GLY 110 H -0.05 0.27 0.17 -0.55 8.43 8.28 1fpmB1 GLY 110 HA2 -0.02 0.13 0.80 -0.51 4.01 4.41 1fpmB1 GLY 110 HA3 -0.02 0.05 0.28 -0.51 4.01 3.81 1fpmB1 ALA 111 H -0.02 0.07 0.07 -0.55 8.40 7.97 1fpmB1 ALA 111 HA -0.03 0.10 0.45 -0.75 4.34 4.10 1fpmB1 ALA 111 HB3 -0.04 0.01 -0.04 -0.04 1.41 1.30 1fpmB1 ALA 112 H -0.03 0.27 0.07 -0.55 8.40 8.17 1fpmB1 ALA 112 HA -0.04 0.09 0.40 -0.75 4.34 4.03 1fpmB1 ALA 112 HB3 -0.03 0.05 0.15 -0.04 1.41 1.53 1fpmB1 GLY 113 H -0.02 0.38 0.24 -0.55 8.43 8.49 1fpmB1 GLY 113 HA2 -0.00 -0.17 0.21 -0.51 4.01 3.55 1fpmB1 GLY 113 HA3 0.00 0.29 0.71 -0.51 4.01 4.50 1fpmB1 GLY 114 H 0.01 0.36 -0.22 -0.55 8.43 8.03 1fpmB1 GLY 114 HA2 0.03 0.05 0.28 -0.51 4.01 3.86 1fpmB1 GLY 114 HA3 0.13 0.02 0.35 -0.51 4.01 4.01 1fpmB1 GLY 115 H -0.10 0.10 0.11 -0.55 8.43 8.00 1fpmB1 GLY 115 HA2 -0.48 0.09 0.35 -0.51 4.01 3.46 1fpmB1 GLY 115 HA3 -0.31 0.05 0.39 -0.51 4.01 3.63 1fpmB1 TYR 116 H 0.23 0.52 0.28 -0.55 8.29 8.76 1fpmB1 TYR 116 HA -0.10 0.13 0.62 -0.75 4.56 4.45 1fpmB1 TYR 116 HB2 -0.08 -0.03 0.34 -0.04 3.06 3.25 1fpmB1 TYR 116 HB3 -0.07 -0.01 0.25 -0.04 2.98 3.11 1fpmB1 TYR 116 HD2 -0.18 0.09 0.14 -0.04 7.15 7.16 1fpmB1 TYR 116 HE2 -0.20 -0.00 -0.01 -0.04 6.85 6.60 1fpmB1 ALA 117 H -0.04 0.48 -0.31 -0.55 8.40 7.99 1fpmB1 ALA 117 HA 0.02 0.05 0.39 -0.75 4.34 4.03 1fpmB1 ALA 117 HB3 0.04 0.01 -0.12 -0.04 1.41 1.30 1fpmB1 GLN 118 H -0.06 0.18 0.12 -0.55 8.47 8.16 1fpmB1 GLN 118 HA -0.02 0.39 0.67 -0.75 4.36 4.64 1fpmB1 GLN 118 HB2 -0.05 -0.04 -0.15 -0.04 2.15 1.87 1fpmB1 GLN 118 HB3 -0.05 -0.17 -0.23 -0.04 2.02 1.52 1fpmB1 GLN 118 HG2 -0.14 0.17 0.20 -0.04 2.40 2.58 1fpmB1 GLN 118 HG3 -0.10 0.01 0.06 -0.04 2.39 2.33 1fpmB1 GLN 118 HE21 -0.09 0.07 -0.01 -0.04 6.97 6.89 1fpmB1 GLN 118 HE22 -0.07 -0.05 -0.04 -0.04 7.69 7.49 1fpmB1 VAL 119 H -0.01 0.40 0.27 -0.55 8.24 8.35 1fpmB1 VAL 119 HA -0.01 0.14 0.49 -0.75 4.13 4.00 1fpmB1 VAL 119 HB 0.00 -0.13 0.06 -0.04 2.12 2.01 1fpmB1 VAL 119 HG13 0.05 0.10 -0.18 -0.04 0.97 0.89 1fpmB1 VAL 119 HG23 0.01 0.02 -0.05 -0.04 0.95 0.89 1fpmB1 VAL 120 H 0.00 0.52 0.16 -0.55 8.24 8.37 1fpmB1 VAL 120 HA 0.03 0.13 0.60 -0.75 4.13 4.14 1fpmB1 VAL 120 HB -0.02 -0.14 0.03 -0.04 2.12 1.95 1fpmB1 VAL 120 HG13 -0.04 0.06 -0.29 -0.04 0.97 0.66 1fpmB1 VAL 120 HG23 -0.06 0.01 -0.24 -0.04 0.95 0.62 1fpmB1 PRO 121 HA 0.02 0.06 0.34 -0.51 4.44 4.35 1fpmB1 PRO 121 HB2 0.07 -0.12 -0.07 -0.04 2.28 2.12 1fpmB1 PRO 121 HB3 0.09 0.07 0.07 -0.04 2.02 2.21 1fpmB1 PRO 121 HG2 0.12 -0.09 -0.00 -0.04 2.03 2.01 1fpmB1 PRO 121 HG3 0.10 0.04 0.04 -0.04 2.03 2.17 1fpmB1 PRO 121 HD2 0.09 0.21 0.30 -0.04 3.68 4.24 1fpmB1 PRO 121 HD3 0.10 0.14 0.29 -0.04 3.65 4.14 1fpmB1 MET 122 H 0.01 0.17 0.10 -0.55 8.47 8.20 1fpmB1 MET 122 HA 0.01 0.16 0.45 -0.75 4.52 4.39 1fpmB1 MET 122 HB2 -0.02 0.12 0.14 -0.04 2.15 2.35 1fpmB1 MET 122 HB3 -0.01 -0.15 0.17 -0.04 2.03 2.01 1fpmB1 MET 122 HG2 -0.02 0.01 -0.21 -0.04 2.63 2.37 1fpmB1 MET 122 HG3 -0.02 -0.05 -0.00 -0.04 2.56 2.44 1fpmB1 MET 122 HE3 -0.03 0.02 -0.04 -0.04 2.10 2.01 1fpmB1 GLU 123 H 0.02 0.14 0.01 -0.55 8.60 8.23 1fpmB1 GLU 123 HA 0.01 0.03 0.25 -0.75 4.29 3.83 1fpmB1 GLU 123 HB2 0.05 -0.01 0.03 -0.04 2.09 2.12 1fpmB1 GLU 123 HB3 0.04 0.04 -0.05 -0.04 1.99 1.98 1fpmB1 GLU 123 HG2 0.00 0.01 0.02 -0.04 2.34 2.33 1fpmB1 GLU 123 HG3 0.01 -0.02 0.06 -0.04 2.34 2.36 1fpmB1 ASP 124 H 0.10 0.09 -0.35 -0.55 8.40 7.69 1fpmB1 ASP 124 HA 0.16 -0.05 0.35 -0.75 4.63 4.33 1fpmB1 ASP 124 HB2 0.16 0.14 -0.03 -0.04 2.71 2.93 1fpmB1 ASP 124 HB3 0.12 0.00 0.01 -0.04 2.70 2.79 1fpmB1 ILE 125 H 0.14 0.78 -0.36 -0.55 8.25 8.27 1fpmB1 ILE 125 HA 0.02 0.04 0.50 -0.75 4.18 3.98 1fpmB1 ILE 125 HB -0.03 -0.05 0.20 -0.04 1.89 1.97 1fpmB1 ILE 125 HG12 0.06 -0.08 -0.11 -0.04 1.49 1.32 1fpmB1 ILE 125 HG13 0.18 0.34 0.09 -0.04 1.21 1.79 1fpmB1 ILE 125 HG23 -0.30 -0.02 -0.11 -0.04 0.93 0.46 1fpmB1 ILE 125 HD13 -0.00 -0.05 -0.13 -0.04 0.88 0.65 1fpmB1 ASN 126 H -0.02 0.13 0.02 -0.55 8.53 8.11 1fpmB1 ASN 126 HA -0.08 0.14 0.37 -0.75 4.76 4.44 1fpmB1 ASN 126 HB2 -0.08 -0.06 0.00 -0.04 2.88 2.71 1fpmB1 ASN 126 HB3 -0.12 -0.02 0.09 -0.04 2.79 2.70 1fpmB1 ASN 126 HD21 -0.06 0.30 0.21 -0.04 7.03 7.44 1fpmB1 ASN 126 HD22 -0.08 0.03 0.13 -0.04 7.74 7.78 1fpmB1 LEU 127 H 0.02 0.26 -0.73 -0.55 8.37 7.38 1fpmB1 LEU 127 HA -0.06 0.09 0.59 -0.75 4.35 4.22 1fpmB1 LEU 127 HB2 0.08 0.18 0.05 -0.04 1.64 1.92 1fpmB1 LEU 127 HB3 0.02 -0.35 0.20 -0.04 1.64 1.48 1fpmB1 LEU 127 HG -0.02 -0.02 -0.09 -0.04 1.64 1.47 1fpmB1 LEU 127 HD13 0.09 -0.02 -0.07 -0.04 0.93 0.89 1fpmB1 LEU 127 HD23 0.02 0.01 -0.08 -0.04 0.89 0.80 1fpmB1 HIS 128 H 0.10 0.06 0.11 -0.55 8.41 8.14 1fpmB1 HIS 128 HA 0.16 0.02 0.51 -0.75 4.63 4.56 1fpmB1 HIS 128 HB2 0.17 0.05 0.12 -0.04 3.26 3.56 1fpmB1 HIS 128 HB3 0.25 -0.01 0.02 -0.04 3.20 3.42 1fpmB1 HIS 128 HD2 0.13 0.01 0.03 -0.04 6.97 7.10 1fpmB1 HIS 128 HE1 0.13 -0.01 -0.02 -0.04 7.75 7.81 1fpmB1 PHE 129 H 0.29 0.06 0.09 -0.55 8.34 8.22 1fpmB1 PHE 129 HA 0.08 0.07 0.34 -0.75 4.62 4.35 1fpmB1 PHE 129 HB2 0.03 0.25 -0.16 -0.04 3.15 3.22 1fpmB1 PHE 129 HB3 0.03 -0.17 0.28 -0.04 3.06 3.16 1fpmB1 PHE 129 HD2 0.00 -0.02 -0.36 -0.04 7.28 6.86 1fpmB1 PHE 129 HE2 -0.01 0.08 -0.08 -0.04 7.38 7.33 1fpmB1 PHE 129 HZ 0.00 0.02 -0.12 -0.04 7.32 7.18 1fpmB1 THR 130 H 0.17 0.15 0.15 -0.55 8.28 8.20 1fpmB1 THR 130 HA 0.20 0.18 0.67 -0.75 4.39 4.69 1fpmB1 THR 130 HB -1.00 0.05 0.10 -0.04 4.32 3.43 1fpmB1 THR 130 HG23 -0.70 0.00 -0.03 -0.04 1.22 0.45 1fpmB1 GLY 131 H 0.25 0.49 -0.72 -0.55 8.43 7.90 1fpmB1 GLY 131 HA2 0.16 0.03 0.33 -0.51 4.01 4.01 1fpmB1 GLY 131 HA3 0.29 0.03 0.26 -0.51 4.01 4.09 1fpmB1 ASP 132 H 0.14 0.12 -0.15 -0.55 8.40 7.96 1fpmB1 ASP 132 HA 0.10 0.20 0.52 -0.75 4.63 4.70 1fpmB1 ASP 132 HB2 0.12 -0.04 0.09 -0.04 2.71 2.84 1fpmB1 ASP 132 HB3 0.09 -0.03 -0.03 -0.04 2.70 2.70 1fpmB1 ILE 133 H -0.01 0.14 -0.05 -0.55 8.25 7.78 1fpmB1 ILE 133 HA 0.05 0.10 0.33 -0.75 4.18 3.91 1fpmB1 ILE 133 HB -0.17 -0.05 0.11 -0.04 1.89 1.73 1fpmB1 ILE 133 HG12 -0.00 0.06 -0.05 -0.04 1.49 1.45 1fpmB1 ILE 133 HG13 -0.04 0.02 0.06 -0.04 1.21 1.20 1fpmB1 ILE 133 HG23 0.02 -0.02 -0.09 -0.04 0.93 0.80 1fpmB1 ILE 133 HD13 -0.04 0.03 -0.05 -0.04 0.88 0.78 1fpmB1 HIS 134 H -0.34 0.13 -0.12 -0.55 8.41 7.54 1fpmB1 HIS 134 HA 0.22 -0.04 0.26 -0.75 4.63 4.31 1fpmB1 HIS 134 HB2 0.14 0.18 -0.01 -0.04 3.26 3.53 1fpmB1 HIS 134 HB3 0.17 0.04 -0.00 -0.04 3.20 3.37 1fpmB1 HIS 134 HD2 0.17 0.07 0.04 -0.04 6.97 7.20 1fpmB1 HIS 134 HE1 0.23 -0.01 0.01 -0.04 7.75 7.94 1fpmB1 ALA 135 H 0.20 0.25 -0.66 -0.55 8.40 7.65 1fpmB1 ALA 135 HA 0.18 0.05 0.37 -0.75 4.34 4.18 1fpmB1 ALA 135 HB3 0.15 0.08 0.14 -0.04 1.41 1.73 1fpmB1 VAL 136 H 0.16 0.44 0.04 -0.55 8.24 8.33 1fpmB1 VAL 136 HA 0.19 0.02 0.32 -0.75 4.13 3.90 1fpmB1 VAL 136 HB 0.11 0.01 0.17 -0.04 2.12 2.37 1fpmB1 VAL 136 HG13 0.11 -0.03 -0.25 -0.04 0.97 0.75 1fpmB1 VAL 136 HG23 0.15 0.04 -0.05 -0.04 0.95 1.04 1fpmB1 THR 137 H 0.15 0.39 -0.22 -0.55 8.28 8.05 1fpmB1 THR 137 HA 0.03 -0.06 0.23 -0.75 4.39 3.84 1fpmB1 THR 137 HB 0.26 0.19 0.06 -0.04 4.32 4.79 1fpmB1 THR 137 HG23 -0.07 0.03 -0.13 -0.04 1.22 1.01 1fpmB1 TYR 138 H 0.37 0.70 -0.23 -0.55 8.29 8.58 1fpmB1 TYR 138 HA 0.09 -0.05 0.61 -0.75 4.56 4.46 1fpmB1 TYR 138 HB2 0.10 0.23 0.16 -0.04 3.06 3.50 1fpmB1 TYR 138 HB3 0.07 -0.04 0.01 -0.04 2.98 2.98 1fpmB1 TYR 138 HD2 0.09 0.12 0.04 -0.04 7.15 7.36 1fpmB1 TYR 138 HE2 0.05 -0.03 -0.01 -0.04 6.85 6.82 1fpmB1 ALA 139 H 0.21 0.65 0.04 -0.55 8.40 8.74 1fpmB1 ALA 139 HA 0.09 -0.02 0.44 -0.75 4.34 4.09 1fpmB1 ALA 139 HB3 0.12 0.00 0.08 -0.04 1.41 1.57 1fpmB1 HIS 140 H 0.18 0.32 -0.66 -0.55 8.41 7.70 1fpmB1 HIS 140 HA 0.23 0.11 0.74 -0.75 4.63 4.96 1fpmB1 HIS 140 HB2 0.06 -0.04 -0.06 -0.04 3.26 3.17 1fpmB1 HIS 140 HB3 -0.01 0.04 0.13 -0.04 3.20 3.33 1fpmB1 HIS 140 HD2 -0.06 -0.04 -0.33 -0.04 6.97 6.50 1fpmB1 HIS 140 HE1 -1.45 -0.05 0.02 -0.04 7.75 6.22 1fpmB1 ASN 141 H 0.11 0.55 0.23 -0.55 8.53 8.88 1fpmB1 ASN 141 HA 0.08 -0.01 0.41 -0.75 4.76 4.49 1fpmB1 ASN 141 HB2 -0.14 0.04 0.23 -0.04 2.88 2.96 1fpmB1 ASN 141 HB3 -0.06 -0.02 0.04 -0.04 2.79 2.71 1fpmB1 ASN 141 HD21 -0.11 0.27 0.17 -0.04 7.03 7.32 1fpmB1 ASN 141 HD22 -0.42 -0.07 -0.00 -0.04 7.74 7.21 1fpmB1 LEU 142 H 0.05 0.56 -0.15 -0.55 8.37 8.28 1fpmB1 LEU 142 HA 0.04 -0.01 0.36 -0.75 4.35 3.99 1fpmB1 LEU 142 HB2 0.09 0.01 0.08 -0.04 1.64 1.78 1fpmB1 LEU 142 HB3 0.04 0.09 0.04 -0.04 1.64 1.76 1fpmB1 LEU 142 HG -0.01 -0.02 -0.51 -0.04 1.64 1.05 1fpmB1 LEU 142 HD13 0.03 -0.01 -0.01 -0.04 0.93 0.90 1fpmB1 LEU 142 HD23 0.03 0.00 -0.09 -0.04 0.89 0.78 1fpmB1 LEU 143 H -0.03 0.32 -0.30 -0.55 8.37 7.81 1fpmB1 LEU 143 HA -0.18 -0.05 0.37 -0.75 4.35 3.74 1fpmB1 LEU 143 HB2 -0.34 0.07 0.17 -0.04 1.64 1.49 1fpmB1 LEU 143 HB3 -0.21 0.21 0.19 -0.04 1.64 1.79 1fpmB1 LEU 143 HG -1.03 -0.00 -0.19 -0.04 1.64 0.37 1fpmB1 LEU 143 HD13 -0.43 -0.04 0.02 -0.04 0.93 0.44 1fpmB1 LEU 143 HD23 -1.69 0.01 -0.02 -0.04 0.89 -0.85 1fpmB1 ALA 144 H 0.14 0.48 -0.19 -0.55 8.40 8.28 1fpmB1 ALA 144 HA 0.15 -0.01 0.35 -0.75 4.34 4.08 1fpmB1 ALA 144 HB3 0.18 0.08 0.04 -0.04 1.41 1.67 1fpmB1 ALA 145 H 0.03 0.59 -0.12 -0.55 8.40 8.36 1fpmB1 ALA 145 HA 0.03 -0.03 0.42 -0.75 4.34 3.99 1fpmB1 ALA 145 HB3 0.02 0.01 0.10 -0.04 1.41 1.51 1fpmB1 MET 146 H -0.02 0.66 -0.07 -0.55 8.47 8.48 1fpmB1 MET 146 HA 0.00 0.02 0.51 -0.75 4.52 4.29 1fpmB1 MET 146 HB2 -0.08 0.12 0.17 -0.04 2.15 2.33 1fpmB1 MET 146 HB3 -0.03 -0.02 0.02 -0.04 2.03 1.95 1fpmB1 MET 146 HG2 -0.01 -0.02 -0.02 -0.04 2.63 2.54 1fpmB1 MET 146 HG3 -0.02 0.07 -0.04 -0.04 2.56 2.53 1fpmB1 MET 146 HE3 -0.02 0.03 -0.12 -0.04 2.10 1.95 1fpmB1 VAL 147 H -0.05 0.66 -0.04 -0.55 8.24 8.26 1fpmB1 VAL 147 HA -0.05 -0.03 0.38 -0.75 4.13 3.68 1fpmB1 VAL 147 HB -0.01 0.18 0.21 -0.04 2.12 2.46 1fpmB1 VAL 147 HG13 -0.03 -0.02 -0.17 -0.04 0.97 0.71 1fpmB1 VAL 147 HG23 -0.17 0.03 -0.04 -0.04 0.95 0.73 1fpmB1 ASP 148 H 0.02 0.70 0.03 -0.55 8.40 8.60 1fpmB1 ASP 148 HA 0.03 -0.02 0.34 -0.75 4.63 4.23 1fpmB1 ASP 148 HB2 0.03 0.17 0.14 -0.04 2.71 3.01 1fpmB1 ASP 148 HB3 0.03 -0.00 -0.09 -0.04 2.70 2.60 1fpmB1 ASN 149 H 0.03 0.45 -0.45 -0.55 8.53 8.02 1fpmB1 ASN 149 HA 0.02 0.01 0.42 -0.75 4.76 4.46 1fpmB1 ASN 149 HB2 0.01 0.00 0.10 -0.04 2.88 2.96 1fpmB1 ASN 149 HB3 0.02 0.07 0.22 -0.04 2.79 3.06 1fpmB1 ASN 149 HD21 -0.01 -0.03 -0.04 -0.04 7.03 6.91 1fpmB1 ASN 149 HD22 0.00 0.00 -0.01 -0.04 7.74 7.70 1fpmB1 HIS 150 H 0.10 0.72 -0.08 -0.55 8.41 8.61 1fpmB1 HIS 150 HA -0.02 -0.02 0.42 -0.75 4.63 4.25 1fpmB1 HIS 150 HB2 -0.04 0.18 0.22 -0.04 3.26 3.58 1fpmB1 HIS 150 HB3 -0.04 0.07 0.26 -0.04 3.20 3.45 1fpmB1 HIS 150 HD2 -0.04 -0.01 -0.27 -0.04 6.97 6.61 1fpmB1 HIS 150 HE1 -0.04 0.12 -0.04 -0.04 7.75 7.75 1fpmB1 LEU 151 H 0.13 0.49 -0.04 -0.55 8.37 8.40 1fpmB1 LEU 151 HA 0.11 -0.12 0.37 -0.75 4.35 3.97 1fpmB1 LEU 151 HB2 0.04 0.18 0.15 -0.04 1.64 1.97 1fpmB1 LEU 151 HB3 0.04 -0.01 0.04 -0.04 1.64 1.67 1fpmB1 LEU 151 HG 0.03 0.19 0.05 -0.04 1.64 1.86 1fpmB1 LEU 151 HD13 0.03 -0.00 -0.03 -0.04 0.93 0.88 1fpmB1 LEU 151 HD23 -0.00 -0.05 -0.02 -0.04 0.89 0.78 1fpmB1 GLN 152 H 0.04 0.44 -0.24 -0.55 8.47 8.15 1fpmB1 GLN 152 HA 0.02 -0.06 0.31 -0.75 4.36 3.88 1fpmB1 GLN 152 HB2 0.02 -0.10 0.13 -0.04 2.15 2.16 1fpmB1 GLN 152 HB3 0.01 0.21 0.17 -0.04 2.02 2.36 1fpmB1 GLN 152 HG2 0.01 -0.03 -0.04 -0.04 2.40 2.29 1fpmB1 GLN 152 HG3 0.00 0.02 -0.20 -0.04 2.39 2.18 1fpmB1 GLN 152 HE21 0.01 0.73 0.21 -0.04 6.97 7.88 1fpmB1 GLN 152 HE22 0.01 -0.07 0.05 -0.04 7.69 7.64 1fpmB1 GLN 153 H -0.02 0.70 -0.12 -0.55 8.47 8.49 1fpmB1 GLN 153 HA -0.04 0.02 0.56 -0.75 4.36 4.15 1fpmB1 GLN 153 HB2 -0.20 -0.04 0.22 -0.04 2.15 2.09 1fpmB1 GLN 153 HB3 -0.12 -0.10 0.08 -0.04 2.02 1.85 1fpmB1 GLN 153 HG2 -0.06 0.41 -0.01 -0.04 2.40 2.69 1fpmB1 GLN 153 HG3 -0.11 -0.11 -0.01 -0.04 2.39 2.12 1fpmB1 GLN 153 HE21 -0.03 -0.03 0.01 -0.04 6.97 6.88 1fpmB1 GLN 153 HE22 -0.05 -0.03 0.06 -0.04 7.69 7.62 1fpmB1 GLY 154 H -0.02 0.05 0.12 -0.55 8.43 8.03 1fpmB1 GLY 154 HA2 0.00 0.06 0.26 -0.51 4.01 3.83 1fpmB1 GLY 154 HA3 -0.02 0.07 0.59 -0.51 4.01 4.14 1fpmB1 ASN 155 H 0.05 0.14 0.12 -0.55 8.53 8.30 1fpmB1 ASN 155 HA 0.39 -0.06 0.23 -0.75 4.76 4.57 1fpmB1 ASN 155 HB2 0.05 0.08 0.04 -0.04 2.88 3.01 1fpmB1 ASN 155 HB3 0.02 0.19 -0.00 -0.04 2.79 2.95 1fpmB1 ASN 155 HD21 -0.34 0.13 -0.15 -0.04 7.03 6.63 1fpmB1 ASN 155 HD22 -0.14 0.07 0.04 -0.04 7.74 7.66 1fpmB1 VAL 156 H 0.04 0.12 -0.17 -0.55 8.24 7.69 1fpmB1 VAL 156 HA 0.04 0.16 0.31 -0.75 4.13 3.89 1fpmB1 VAL 156 HB 0.02 -0.04 0.03 -0.04 2.12 2.09 1fpmB1 VAL 156 HG13 0.03 0.01 -0.10 -0.04 0.97 0.87 1fpmB1 VAL 156 HG23 -0.09 0.01 -0.05 -0.04 0.95 0.78 1fpmB1 LEU 157 H 0.30 -0.01 -0.36 -0.55 8.37 7.76 1fpmB1 LEU 157 HA -0.00 0.22 0.62 -0.75 4.35 4.43 1fpmB1 LEU 157 HB2 -0.31 -0.08 -0.06 -0.04 1.64 1.15 1fpmB1 LEU 157 HB3 -0.12 0.03 0.05 -0.04 1.64 1.57 1fpmB1 LEU 157 HG 0.18 -0.09 -0.08 -0.04 1.64 1.62 1fpmB1 LEU 157 HD13 -0.19 0.04 -0.11 -0.04 0.93 0.63 1fpmB1 LEU 157 HD23 0.02 0.05 -0.08 -0.04 0.89 0.84 1fpmB1 ASN 158 H -0.02 0.60 -0.44 -0.55 8.53 8.13 1fpmB1 ASN 158 HA -0.18 0.16 0.34 -0.75 4.76 4.32 1fpmB1 ASN 158 HB2 -0.05 0.09 -0.08 -0.04 2.88 2.80 1fpmB1 ASN 158 HB3 -0.08 0.09 0.05 -0.04 2.79 2.81 1fpmB1 ASN 158 HD21 0.09 -0.05 0.05 -0.04 7.03 7.09 1fpmB1 ASN 158 HD22 -0.08 0.13 0.08 -0.04 7.74 7.83 1fpmB1 ILE 159 H -0.19 -0.04 -0.25 -0.55 8.25 7.22 1fpmB1 ILE 159 HA -0.15 0.13 0.42 -0.75 4.18 3.82 1fpmB1 ILE 159 HB -0.17 -0.08 -0.05 -0.04 1.89 1.55 1fpmB1 ILE 159 HG12 -0.14 0.09 -0.27 -0.04 1.49 1.12 1fpmB1 ILE 159 HG13 -0.24 -0.09 -0.23 -0.04 1.21 0.61 1fpmB1 ILE 159 HG23 -0.07 0.02 -0.34 -0.04 0.93 0.50 1fpmB1 ILE 159 HD13 -0.26 -0.01 -0.15 -0.04 0.88 0.42 1fpmB1 ASP 160 H -0.01 0.68 0.24 -0.55 8.40 8.76 1fpmB1 ASP 160 HA 0.18 0.26 0.85 -0.75 4.63 5.17 1fpmB1 ASP 160 HB2 0.41 0.05 -0.20 -0.04 2.71 2.93 1fpmB1 ASP 160 HB3 0.17 -0.03 0.09 -0.04 2.70 2.89 1fpmB1 PRO 161 HA 0.04 0.04 0.31 -0.51 4.44 4.33 1fpmB1 PRO 161 HB2 0.07 0.04 0.01 -0.04 2.28 2.36 1fpmB1 PRO 161 HB3 0.05 0.09 0.05 -0.04 2.02 2.16 1fpmB1 PRO 161 HG2 0.08 0.08 0.05 -0.04 2.03 2.20 1fpmB1 PRO 161 HG3 0.04 0.01 0.03 -0.04 2.03 2.08 1fpmB1 PRO 161 HD2 0.20 0.06 0.18 -0.04 3.68 4.08 1fpmB1 PRO 161 HD3 0.07 0.46 0.32 -0.04 3.65 4.47 1fpmB1 ARG 162 H 0.11 0.03 -0.61 -0.55 8.46 7.44 1fpmB1 ARG 162 HA 0.05 0.17 0.62 -0.75 4.34 4.43 1fpmB1 ARG 162 HB2 0.07 -0.00 -0.03 -0.04 1.90 1.90 1fpmB1 ARG 162 HB3 0.04 0.02 0.10 -0.04 1.80 1.92 1fpmB1 ARG 162 HG2 0.05 0.03 -0.03 -0.04 1.67 1.67 1fpmB1 ARG 162 HG3 0.08 -0.07 -0.02 -0.04 1.67 1.62 1fpmB1 ARG 162 HD2 0.02 0.00 -0.00 -0.04 3.22 3.20 1fpmB1 ARG 162 HD3 0.03 0.01 -0.01 -0.04 3.22 3.21 1fpmB1 THR 163 H 0.10 0.84 -0.04 -0.55 8.28 8.64 1fpmB1 THR 163 HA 0.08 0.20 0.84 -0.75 4.39 4.76 1fpmB1 THR 163 HB 0.17 -0.03 0.13 -0.04 4.32 4.55 1fpmB1 THR 163 HG23 0.08 -0.01 -0.07 -0.04 1.22 1.19 1fpmB1 ILE 164 H 0.08 0.17 -0.27 -0.55 8.25 7.69 1fpmB1 ILE 164 HA 0.08 -0.07 0.47 -0.75 4.18 3.90 1fpmB1 ILE 164 HB 0.06 0.16 0.11 -0.04 1.89 2.18 1fpmB1 ILE 164 HG12 0.02 -0.09 -0.10 -0.04 1.49 1.28 1fpmB1 ILE 164 HG13 0.05 -0.03 0.02 -0.04 1.21 1.21 1fpmB1 ILE 164 HG23 0.09 -0.03 -0.10 -0.04 0.93 0.85 1fpmB1 ILE 164 HD13 0.03 0.00 -0.04 -0.04 0.88 0.83 1fpmB1 THR 165 H 0.12 0.62 0.50 -0.55 8.28 8.97 1fpmB1 THR 165 HA 0.08 0.17 0.82 -0.75 4.39 4.70 1fpmB1 THR 165 HB 0.10 -0.08 0.16 -0.04 4.32 4.45 1fpmB1 THR 165 HG23 0.20 0.04 0.01 -0.04 1.22 1.43 1fpmB1 TRP 166 H 0.23 0.18 0.05 -0.55 7.97 7.88 1fpmB1 TRP 166 HA -0.03 0.10 0.82 -0.75 4.62 4.76 1fpmB1 TRP 166 HB2 -0.11 -0.02 0.20 -0.04 3.23 3.26 1fpmB1 TRP 166 HB3 -0.09 -0.05 0.19 -0.04 3.23 3.24 1fpmB1 TRP 166 HD1 -0.15 -0.07 -0.11 -0.04 7.22 6.85 1fpmB1 TRP 166 HE1 -0.79 0.02 -0.04 -0.04 10.20 9.36 1fpmB1 TRP 166 HE3 -0.12 0.15 -0.05 -0.04 7.59 7.53 1fpmB1 TRP 166 HZ2 -0.97 -0.05 0.00 -0.04 7.44 6.38 1fpmB1 TRP 166 HZ3 -0.10 -0.00 -0.07 -0.04 7.13 6.91 1fpmB1 TRP 166 HH2 -0.17 -0.07 -0.06 -0.04 7.19 6.84 1fpmB1 ARG 167 H -0.30 0.19 0.20 -0.55 8.46 8.00 1fpmB1 ARG 167 HA -0.12 0.04 0.53 -0.75 4.34 4.04 1fpmB1 ARG 167 HB2 -0.30 0.04 -0.01 -0.04 1.90 1.59 1fpmB1 ARG 167 HB3 -0.18 0.06 0.06 -0.04 1.80 1.69 1fpmB1 ARG 167 HG2 -0.09 0.03 -0.06 -0.04 1.67 1.51 1fpmB1 ARG 167 HG3 -0.19 0.07 0.12 -0.04 1.67 1.62 1fpmB1 ARG 167 HD2 -0.11 0.00 -0.03 -0.04 3.22 3.04 1fpmB1 ARG 167 HD3 -0.16 -0.03 -0.15 -0.04 3.22 2.84 1fpmB1 ARG 168 H -0.44 0.47 0.34 -0.55 8.46 8.27 1fpmB1 ARG 168 HA -0.27 0.11 0.64 -0.75 4.34 4.06 1fpmB1 ARG 168 HB2 -0.64 0.04 0.12 -0.04 1.90 1.38 1fpmB1 ARG 168 HB3 -2.59 -0.02 0.03 -0.04 1.80 -0.83 1fpmB1 ARG 168 HG2 -0.43 -0.04 0.08 -0.04 1.67 1.24 1fpmB1 ARG 168 HG3 -0.25 -0.02 0.18 -0.04 1.67 1.54 1fpmB1 ARG 168 HD2 -0.09 0.00 -0.02 -0.04 3.22 3.07 1fpmB1 ARG 168 HD3 -0.00 -0.01 -0.01 -0.04 3.22 3.15 1fpmB1 VAL 169 H -0.43 0.17 0.18 -0.55 8.24 7.61 1fpmB1 VAL 169 HA -0.20 0.21 0.90 -0.75 4.13 4.29 1fpmB1 VAL 169 HB -0.24 -0.05 0.05 -0.04 2.12 1.84 1fpmB1 VAL 169 HG13 -0.19 0.06 -0.25 -0.04 0.97 0.54 1fpmB1 VAL 169 HG23 -0.97 0.02 -0.34 -0.04 0.95 -0.39 1fpmB1 ILE 170 H 0.14 0.50 0.22 -0.55 8.25 8.56 1fpmB1 ILE 170 HA 0.10 0.17 0.80 -0.75 4.18 4.49 1fpmB1 ILE 170 HB 0.12 0.10 -0.07 -0.04 1.89 2.00 1fpmB1 ILE 170 HG12 -0.04 0.06 -0.05 -0.04 1.49 1.42 1fpmB1 ILE 170 HG13 0.04 -0.18 -0.10 -0.04 1.21 0.92 1fpmB1 ILE 170 HG23 0.07 -0.00 -0.06 -0.04 0.93 0.90 1fpmB1 ILE 170 HD13 0.05 0.01 0.05 -0.04 0.88 0.95 1fpmB1 ASP 171 H 0.08 0.24 0.09 -0.55 8.40 8.27 1fpmB1 ASP 171 HA 0.04 -0.00 0.95 -0.75 4.63 4.87 1fpmB1 ASP 171 HB2 0.07 0.03 0.09 -0.04 2.71 2.86 1fpmB1 ASP 171 HB3 0.10 0.11 0.22 -0.04 2.70 3.09 1fpmB1 LEU 172 H 0.04 0.36 -0.32 -0.55 8.37 7.90 1fpmB1 LEU 172 HA 0.07 0.08 0.80 -0.75 4.35 4.55 1fpmB1 LEU 172 HB2 -0.01 0.03 -0.10 -0.04 1.64 1.52 1fpmB1 LEU 172 HB3 0.01 0.06 -0.04 -0.04 1.64 1.64 1fpmB1 LEU 172 HG 0.03 -0.17 -0.30 -0.04 1.64 1.16 1fpmB1 LEU 172 HD13 -0.05 0.03 -0.09 -0.04 0.93 0.79 1fpmB1 LEU 172 HD23 0.03 0.09 -0.09 -0.04 0.89 0.88 1fpmB1 ASN 173 H 0.06 0.18 -0.00 -0.55 8.53 8.22 1fpmB1 ASN 173 HA 0.03 0.17 0.26 -0.75 4.76 4.47 1fpmB1 ASN 173 HB2 0.04 -0.00 0.10 -0.04 2.88 2.98 1fpmB1 ASN 173 HB3 0.03 -0.05 -0.26 -0.04 2.79 2.47 1fpmB1 ASN 173 HD21 0.05 -0.03 -0.59 -0.04 7.03 6.42 1fpmB1 ASN 173 HD22 0.07 0.09 -0.17 -0.04 7.74 7.68 1fpmB1 ASP 174 H 0.00 0.47 0.07 -0.55 8.40 8.40 1fpmB1 ASP 174 HA -0.02 0.10 0.90 -0.75 4.63 4.86 1fpmB1 ASP 174 HB2 -0.06 -0.04 -0.16 -0.04 2.71 2.41 1fpmB1 ASP 174 HB3 -0.07 0.06 0.05 -0.04 2.70 2.70 1fpmB1 ARG 175 H -0.01 0.16 0.17 -0.55 8.46 8.23 1fpmB1 ARG 175 HA 0.00 0.24 0.44 -0.75 4.34 4.27 1fpmB1 ARG 175 HB2 -0.00 -0.04 0.20 -0.04 1.90 2.01 1fpmB1 ARG 175 HB3 -0.00 0.03 -0.01 -0.04 1.80 1.78 1fpmB1 ARG 175 HG2 0.00 0.05 -0.01 -0.04 1.67 1.68 1fpmB1 ARG 175 HG3 0.01 -0.01 -0.04 -0.04 1.67 1.59 1fpmB1 ARG 175 HD2 -0.00 -0.01 -0.02 -0.04 3.22 3.15 1fpmB1 ARG 175 HD3 0.00 0.01 -0.02 -0.04 3.22 3.17 1fpmB1 ALA 176 H -0.02 0.09 0.03 -0.55 8.40 7.95 1fpmB1 ALA 176 HA -0.02 0.09 0.30 -0.75 4.34 3.97 1fpmB1 ALA 176 HB3 -0.03 0.01 0.05 -0.04 1.41 1.40 1fpmB1 LEU 177 H -0.04 0.12 -1.15 -0.55 8.37 6.75 1fpmB1 LEU 177 HA -0.04 0.21 0.82 -0.75 4.35 4.58 1fpmB1 LEU 177 HB2 -0.10 0.12 -0.05 -0.04 1.64 1.57 1fpmB1 LEU 177 HB3 -0.14 -0.06 0.08 -0.04 1.64 1.47 1fpmB1 LEU 177 HG -0.19 -0.07 -0.21 -0.04 1.64 1.13 1fpmB1 LEU 177 HD13 -0.66 -0.02 -0.09 -0.04 0.93 0.12 1fpmB1 LEU 177 HD23 -0.31 0.03 -0.10 -0.04 0.89 0.47 1fpmB1 ARG 178 H 0.01 0.77 0.07 -0.55 8.46 8.75 1fpmB1 ARG 178 HA 0.04 0.11 0.67 -0.75 4.34 4.41 1fpmB1 ARG 178 HB2 0.01 -0.01 0.11 -0.04 1.90 1.96 1fpmB1 ARG 178 HB3 0.01 -0.05 0.17 -0.04 1.80 1.88 1fpmB1 ARG 178 HG2 0.01 0.02 0.11 -0.04 1.67 1.77 1fpmB1 ARG 178 HG3 0.01 0.18 0.33 -0.04 1.67 2.15 1fpmB1 ARG 178 HD2 0.01 -0.10 0.09 -0.04 3.22 3.19 1fpmB1 ARG 178 HD3 0.01 0.32 0.09 -0.04 3.22 3.60 1fpmB1 ASN 179 H 0.02 0.20 -0.33 -0.55 8.53 7.88 1fpmB1 ASN 179 HA 0.03 0.22 0.70 -0.75 4.76 4.95 1fpmB1 ASN 179 HB2 0.01 -0.08 0.03 -0.04 2.88 2.80 1fpmB1 ASN 179 HB3 0.01 -0.00 0.00 -0.04 2.79 2.76 1fpmB1 ASN 179 HD21 0.00 -0.02 -0.09 -0.04 7.03 6.89 1fpmB1 ASN 179 HD22 0.01 -0.08 -0.14 -0.04 7.74 7.49 1fpmB1 ILE 180 H 0.04 0.66 0.30 -0.55 8.25 8.70 1fpmB1 ILE 180 HA 0.02 0.15 0.82 -0.75 4.18 4.42 1fpmB1 ILE 180 HB 0.04 -0.03 0.03 -0.04 1.89 1.89 1fpmB1 ILE 180 HG12 0.08 0.12 -0.26 -0.04 1.49 1.40 1fpmB1 ILE 180 HG13 0.09 -0.04 -0.43 -0.04 1.21 0.79 1fpmB1 ILE 180 HG23 0.03 -0.03 -0.31 -0.04 0.93 0.58 1fpmB1 ILE 180 HD13 0.23 0.01 -0.19 -0.04 0.88 0.90 1fpmB1 VAL 181 H 0.03 0.22 0.16 -0.55 8.24 8.09 1fpmB1 VAL 181 HA 0.03 0.30 1.10 -0.75 4.13 4.80 1fpmB1 VAL 181 HB 0.02 -0.06 0.13 -0.04 2.12 2.16 1fpmB1 VAL 181 HG13 0.02 0.02 -0.12 -0.04 0.97 0.85 1fpmB1 VAL 181 HG23 0.02 -0.01 -0.16 -0.04 0.95 0.76 1fpmB1 ILE 182 H 0.04 0.48 0.26 -0.55 8.25 8.47 1fpmB1 ILE 182 HA 0.04 0.18 0.96 -0.75 4.18 4.61 1fpmB1 ILE 182 HB 0.05 -0.05 0.11 -0.04 1.89 1.96 1fpmB1 ILE 182 HG12 0.04 0.06 -0.01 -0.04 1.49 1.53 1fpmB1 ILE 182 HG13 0.04 0.10 -0.32 -0.04 1.21 0.99 1fpmB1 ILE 182 HG23 0.08 -0.00 -0.19 -0.04 0.93 0.78 1fpmB1 ILE 182 HD13 0.04 -0.00 -0.09 -0.04 0.88 0.79 1fpmB1 GLY 183 H 0.03 0.16 0.09 -0.55 8.43 8.17 1fpmB1 GLY 183 HA2 0.03 0.26 0.17 -0.51 4.01 3.96 1fpmB1 GLY 183 HA3 0.03 0.15 0.03 -0.51 4.01 3.71 1fpmB1 LEU 184 H 0.02 -0.01 -0.49 -0.55 8.37 7.35 1fpmB1 LEU 184 HA 0.02 0.01 0.31 -0.75 4.35 3.94 1fpmB1 LEU 184 HB2 0.02 -0.00 0.00 -0.04 1.64 1.62 1fpmB1 LEU 184 HB3 0.01 -0.03 -0.00 -0.04 1.64 1.58 1fpmB1 LEU 184 HG 0.02 0.04 -0.20 -0.04 1.64 1.46 1fpmB1 LEU 184 HD13 0.01 -0.00 -0.02 -0.04 0.93 0.89 1fpmB1 LEU 184 HD23 0.02 -0.00 -0.05 -0.04 0.89 0.81 1fpmB1 GLY 185 H 0.01 0.05 0.15 -0.55 8.43 8.11 1fpmB1 GLY 185 HA2 0.01 -0.03 0.31 -0.51 4.01 3.79 1fpmB1 GLY 185 HA3 0.01 0.27 0.94 -0.51 4.01 4.73 1fpmB1 GLY 186 H 0.01 0.22 0.07 -0.55 8.43 8.18 1fpmB1 GLY 186 HA2 0.01 0.03 0.37 -0.51 4.01 3.92 1fpmB1 GLY 186 HA3 0.01 0.23 0.94 -0.51 4.01 4.68 1fpmB1 LYS 187 H 0.01 0.14 0.16 -0.55 8.42 8.18 1fpmB1 LYS 187 HA 0.01 0.12 0.32 -0.75 4.32 4.02 1fpmB1 LYS 187 HB2 0.01 0.07 0.07 -0.04 1.87 1.98 1fpmB1 LYS 187 HB3 0.01 0.02 0.16 -0.04 1.79 1.93 1fpmB1 LYS 187 HG2 0.01 -0.07 0.14 -0.04 1.46 1.50 1fpmB1 LYS 187 HG3 0.01 0.01 -0.01 -0.04 1.46 1.43 1fpmB1 LYS 187 HD2 0.01 0.04 0.01 -0.04 1.69 1.70 1fpmB1 LYS 187 HD3 0.01 0.00 0.05 -0.04 1.68 1.70 1fpmB1 LYS 187 HE2 0.01 -0.02 0.03 -0.04 2.99 2.97 1fpmB1 LYS 187 HE3 0.01 0.00 0.00 -0.04 2.99 2.96 1fpmB1 ALA 188 H 0.01 0.04 -0.58 -0.55 8.40 7.32 1fpmB1 ALA 188 HA 0.01 0.24 0.91 -0.75 4.34 4.74 1fpmB1 ALA 188 HB3 0.01 -0.01 0.02 -0.04 1.41 1.39 1fpmB1 ASN 189 H 0.01 0.93 0.01 -0.55 8.53 8.94 1fpmB1 ASN 189 HA 0.02 0.11 0.76 -0.75 4.76 4.89 1fpmB1 ASN 189 HB2 0.02 -0.03 -0.26 -0.04 2.88 2.56 1fpmB1 ASN 189 HB3 0.02 0.02 -0.12 -0.04 2.79 2.67 1fpmB1 ASN 189 HD21 0.01 -0.05 -0.14 -0.04 7.03 6.80 1fpmB1 ASN 189 HD22 0.01 0.13 -0.59 -0.04 7.74 7.25 1fpmB1 GLY 190 H 0.02 0.08 -0.37 -0.55 8.43 7.61 1fpmB1 GLY 190 HA2 0.02 0.04 0.22 -0.51 4.01 3.78 1fpmB1 GLY 190 HA3 0.02 0.10 0.55 -0.51 4.01 4.17 1fpmB1 VAL 191 H 0.03 0.12 0.08 -0.55 8.24 7.92 1fpmB1 VAL 191 HA 0.03 0.20 0.79 -0.75 4.13 4.39 1fpmB1 VAL 191 HB 0.04 -0.05 0.09 -0.04 2.12 2.16 1fpmB1 VAL 191 HG13 0.04 0.05 -0.10 -0.04 0.97 0.92 1fpmB1 VAL 191 HG23 0.03 -0.01 -0.16 -0.04 0.95 0.77 1fpmB1 PRO 192 HA 0.03 0.41 0.57 -0.51 4.44 4.93 1fpmB1 PRO 192 HB2 0.02 -0.04 0.01 -0.04 2.28 2.23 1fpmB1 PRO 192 HB3 0.02 -0.03 -0.05 -0.04 2.02 1.92 1fpmB1 PRO 192 HG2 0.02 -0.09 -0.00 -0.04 2.03 1.91 1fpmB1 PRO 192 HG3 0.02 0.05 -0.47 -0.04 2.03 1.59 1fpmB1 PRO 192 HD2 0.03 -0.01 0.20 -0.04 3.68 3.86 1fpmB1 PRO 192 HD3 0.02 0.64 0.16 -0.04 3.65 4.43 1fpmB1 ARG 193 H 0.03 0.47 0.33 -0.55 8.46 8.75 1fpmB1 ARG 193 HA 0.03 0.02 0.39 -0.75 4.34 4.03 1fpmB1 ARG 193 HB2 0.04 0.02 0.07 -0.04 1.90 1.99 1fpmB1 ARG 193 HB3 0.04 0.14 -0.19 -0.04 1.80 1.74 1fpmB1 ARG 193 HG2 0.04 0.07 -0.15 -0.04 1.67 1.58 1fpmB1 ARG 193 HG3 0.04 -0.07 -0.40 -0.04 1.67 1.19 1fpmB1 ARG 193 HD2 0.04 -0.03 0.00 -0.04 3.22 3.19 1fpmB1 ARG 193 HD3 0.04 -0.06 -0.07 -0.04 3.22 3.09 1fpmB1 GLU 194 H 0.03 0.21 0.16 -0.55 8.60 8.45 1fpmB1 GLU 194 HA 0.03 0.21 1.23 -0.75 4.29 5.01 1fpmB1 GLU 194 HB2 0.02 0.01 0.15 -0.04 2.09 2.24 1fpmB1 GLU 194 HB3 0.02 0.09 0.09 -0.04 1.99 2.15 1fpmB1 GLU 194 HG2 0.02 0.01 -0.11 -0.04 2.34 2.22 1fpmB1 GLU 194 HG3 0.02 -0.07 -0.04 -0.04 2.34 2.21 1fpmB1 THR 195 H 0.03 0.41 0.27 -0.55 8.28 8.45 1fpmB1 THR 195 HA 0.01 0.21 0.64 -0.75 4.39 4.49 1fpmB1 THR 195 HB 0.02 -0.06 -0.04 -0.04 4.32 4.21 1fpmB1 THR 195 HG23 -0.06 -0.31 0.18 -0.04 1.22 0.99 1fpmB1 GLY 196 H -0.04 0.26 0.23 -0.55 8.43 8.34 1fpmB1 GLY 196 HA2 0.12 0.04 0.32 -0.51 4.01 3.98 1fpmB1 GLY 196 HA3 0.04 0.21 0.25 -0.51 4.01 4.00 1fpmB1 PHE 197 H 0.17 0.55 0.28 -0.55 8.34 8.78 1fpmB1 PHE 197 HA -0.11 0.19 0.79 -0.75 4.62 4.74 1fpmB1 PHE 197 HB2 -0.05 0.12 0.03 -0.04 3.15 3.21 1fpmB1 PHE 197 HB3 -0.08 -0.05 -0.12 -0.04 3.06 2.77 1fpmB1 PHE 197 HD2 -0.06 -0.05 -0.31 -0.04 7.28 6.82 1fpmB1 PHE 197 HE2 -0.04 0.04 -0.17 -0.04 7.38 7.17 1fpmB1 PHE 197 HZ -0.03 0.02 -0.07 -0.04 7.32 7.21 1fpmB1 ASP 198 H -0.18 0.42 0.27 -0.55 8.40 8.36 1fpmB1 ASP 198 HA -0.09 0.23 0.87 -0.75 4.63 4.89 1fpmB1 ASP 198 HB2 -0.29 -0.04 0.04 -0.04 2.71 2.38 1fpmB1 ASP 198 HB3 -0.26 0.05 0.17 -0.04 2.70 2.62 1fpmB1 ILE 199 H -0.14 0.63 0.35 -0.55 8.25 8.54 1fpmB1 ILE 199 HA -0.03 0.23 0.52 -0.75 4.18 4.15 1fpmB1 ILE 199 HB -0.03 0.12 0.06 -0.04 1.89 1.99 1fpmB1 ILE 199 HG12 0.02 -0.21 0.12 -0.04 1.49 1.39 1fpmB1 ILE 199 HG13 0.03 0.15 -0.06 -0.04 1.21 1.28 1fpmB1 ILE 199 HG23 -0.05 -0.06 -0.19 -0.04 0.93 0.58 1fpmB1 ILE 199 HD13 0.09 -0.01 -0.14 -0.04 0.88 0.77 1fpmB1 SER 200 H -0.02 0.10 0.14 -0.55 8.46 8.13 1fpmB1 SER 200 HA -0.14 0.18 0.33 -0.75 4.49 4.10 1fpmB1 SER 200 HB2 0.01 -0.10 0.05 -0.04 3.95 3.87 1fpmB1 SER 200 HB3 0.00 0.02 -0.11 -0.04 3.93 3.79 1fpmB1 VAL 201 H 0.00 0.03 -0.03 -0.55 8.24 7.69 1fpmB1 VAL 201 HA 0.03 0.10 0.32 -0.75 4.13 3.82 1fpmB1 VAL 201 HB 0.12 0.22 -0.01 -0.04 2.12 2.41 1fpmB1 VAL 201 HG13 0.03 -0.03 0.06 -0.04 0.97 0.98 1fpmB1 VAL 201 HG23 0.15 -0.04 -0.05 -0.04 0.95 0.97 1fpmB1 ALA 202 H -0.20 0.04 -0.87 -0.55 8.40 6.83 1fpmB1 ALA 202 HA -0.32 -0.02 0.47 -0.75 4.34 3.72 1fpmB1 ALA 202 HB3 -1.24 0.04 0.04 -0.04 1.41 0.21 1fpmB1 SER 203 H -0.12 0.54 -0.48 -0.55 8.46 7.85 1fpmB1 SER 203 HA -0.26 0.16 0.56 -0.75 4.49 4.19 1fpmB1 SER 203 HB2 -0.28 0.09 0.08 -0.04 3.95 3.80 1fpmB1 SER 203 HB3 -0.04 -0.03 0.11 -0.04 3.93 3.93 1fpmB1 GLU 204 H -0.09 0.25 0.15 -0.55 8.60 8.37 1fpmB1 GLU 204 HA 0.07 0.11 0.35 -0.75 4.29 4.06 1fpmB1 GLU 204 HB2 0.03 0.08 0.10 -0.04 2.09 2.25 1fpmB1 GLU 204 HB3 0.18 -0.00 0.05 -0.04 1.99 2.18 1fpmB1 GLU 204 HG2 0.21 0.02 -0.11 -0.04 2.34 2.41 1fpmB1 GLU 204 HG3 0.12 0.04 0.02 -0.04 2.34 2.48 1fpmB1 VAL 205 H 0.21 0.02 -0.39 -0.55 8.24 7.53 1fpmB1 VAL 205 HA 0.33 0.15 0.34 -0.75 4.13 4.19 1fpmB1 VAL 205 HB 0.24 -0.08 -0.05 -0.04 2.12 2.19 1fpmB1 VAL 205 HG13 0.25 0.03 -0.28 -0.04 0.97 0.94 1fpmB1 VAL 205 HG23 0.13 0.03 -0.12 -0.04 0.95 0.94 1fpmB1 MET 206 H 0.10 0.11 -0.21 -0.55 8.47 7.93 1fpmB1 MET 206 HA 0.12 -0.01 0.23 -0.75 4.52 4.10 1fpmB1 MET 206 HB2 0.06 -0.08 0.01 -0.04 2.15 2.09 1fpmB1 MET 206 HB3 0.06 0.23 0.04 -0.04 2.03 2.31 1fpmB1 MET 206 HG2 0.06 0.36 -0.26 -0.04 2.63 2.74 1fpmB1 MET 206 HG3 0.07 -0.05 -0.53 -0.04 2.56 2.01 1fpmB1 MET 206 HE3 0.04 0.05 -0.21 -0.04 2.10 1.95 1fpmB1 ALA 207 H 0.11 0.33 -0.66 -0.55 8.40 7.63 1fpmB1 ALA 207 HA 0.16 -0.06 0.27 -0.75 4.34 3.96 1fpmB1 ALA 207 HB3 0.11 0.09 0.06 -0.04 1.41 1.64 1fpmB1 CYS 208 H 0.16 0.66 0.10 -0.55 8.50 8.88 1fpmB1 CYS 208 HA 0.06 0.10 0.27 -0.75 4.58 4.26 1fpmB1 CYS 208 HB2 0.37 -0.00 0.09 -0.04 2.97 3.38 1fpmB1 CYS 208 HB3 0.06 -0.06 -0.12 -0.04 2.97 2.81 1fpmB1 LEU 209 H 0.14 0.55 -0.51 -0.55 8.37 8.01 1fpmB1 LEU 209 HA 0.01 -0.07 0.25 -0.75 4.35 3.78 1fpmB1 LEU 209 HB2 0.14 -0.07 -0.02 -0.04 1.64 1.64 1fpmB1 LEU 209 HB3 0.09 0.39 0.17 -0.04 1.64 2.25 1fpmB1 LEU 209 HG 0.02 -0.02 -0.25 -0.04 1.64 1.34 1fpmB1 LEU 209 HD13 0.17 0.03 -0.18 -0.04 0.93 0.91 1fpmB1 LEU 209 HD23 0.17 -0.03 -0.07 -0.04 0.89 0.92 1fpmB1 CYS 210 H 0.06 0.52 0.05 -0.55 8.50 8.57 1fpmB1 CYS 210 HA -0.08 -0.19 0.37 -0.75 4.58 3.92 1fpmB1 CYS 210 HB2 0.20 0.07 0.07 -0.04 2.97 3.26 1fpmB1 CYS 210 HB3 0.20 0.15 -0.16 -0.04 2.97 3.12 1fpmB1 LEU 211 H -0.02 0.54 -0.81 -0.55 8.37 7.53 1fpmB1 LEU 211 HA -0.09 0.08 0.90 -0.75 4.35 4.49 1fpmB1 LEU 211 HB2 -0.01 0.04 0.10 -0.04 1.64 1.73 1fpmB1 LEU 211 HB3 0.03 -0.03 0.09 -0.04 1.64 1.69 1fpmB1 LEU 211 HG -0.26 0.00 -0.32 -0.04 1.64 1.03 1fpmB1 LEU 211 HD13 -0.08 -0.01 -0.07 -0.04 0.93 0.74 1fpmB1 LEU 211 HD23 -0.61 0.04 -0.18 -0.04 0.89 0.10 1fpmB1 ALA 212 H -0.09 0.16 0.05 -0.55 8.40 7.97 1fpmB1 ALA 212 HA -0.07 0.13 0.80 -0.75 4.34 4.45 1fpmB1 ALA 212 HB3 -0.10 0.01 -0.08 -0.04 1.41 1.20 1fpmB1 SER 213 H -0.07 0.15 0.12 -0.55 8.46 8.12 1fpmB1 SER 213 HA -0.12 0.12 0.44 -0.75 4.49 4.18 1fpmB1 SER 213 HB2 -0.05 -0.16 0.15 -0.04 3.95 3.84 1fpmB1 SER 213 HB3 -0.06 0.07 0.03 -0.04 3.93 3.93 1fpmB1 ASP 214 H -0.07 0.09 0.11 -0.55 8.40 7.98 1fpmB1 ASP 214 HA -0.05 0.27 0.45 -0.75 4.63 4.53 1fpmB1 ASP 214 HB2 -0.02 -0.07 0.13 -0.04 2.71 2.72 1fpmB1 ASP 214 HB3 -0.03 0.27 -0.08 -0.04 2.70 2.82 1fpmB1 LEU 215 H -0.02 0.26 0.09 -0.55 8.37 8.15 1fpmB1 LEU 215 HA -0.07 0.10 0.29 -0.75 4.35 3.91 1fpmB1 LEU 215 HB2 -0.01 -0.02 0.13 -0.04 1.64 1.69 1fpmB1 LEU 215 HB3 -0.02 0.03 -0.07 -0.04 1.64 1.54 1fpmB1 LEU 215 HG 0.00 0.04 0.03 -0.04 1.64 1.67 1fpmB1 LEU 215 HD13 0.02 0.01 -0.00 -0.04 0.93 0.91 1fpmB1 LEU 215 HD23 -0.01 0.02 -0.12 -0.04 0.89 0.74 1fpmB1 MET 216 H -0.03 0.13 -0.18 -0.55 8.47 7.85 1fpmB1 MET 216 HA -0.04 0.04 0.34 -0.75 4.52 4.12 1fpmB1 MET 216 HB2 -0.02 -0.01 0.02 -0.04 2.15 2.10 1fpmB1 MET 216 HB3 -0.02 0.07 -0.02 -0.04 2.03 2.02 1fpmB1 MET 216 HG2 -0.01 -0.06 0.02 -0.04 2.63 2.54 1fpmB1 MET 216 HG3 -0.01 0.07 0.00 -0.04 2.56 2.58 1fpmB1 MET 216 HE3 -0.01 -0.02 -0.08 -0.04 2.10 1.95 1fpmB1 ASP 217 H -0.06 0.14 -0.33 -0.55 8.40 7.60 1fpmB1 ASP 217 HA -0.06 0.09 0.46 -0.75 4.63 4.36 1fpmB1 ASP 217 HB2 -0.05 0.02 0.16 -0.04 2.71 2.79 1fpmB1 ASP 217 HB3 -0.08 -0.11 0.27 -0.04 2.70 2.74 1fpmB1 LEU 218 H -0.13 0.52 0.01 -0.55 8.37 8.22 1fpmB1 LEU 218 HA -0.27 0.07 0.23 -0.75 4.35 3.62 1fpmB1 LEU 218 HB2 -0.18 -0.02 -0.11 -0.04 1.64 1.29 1fpmB1 LEU 218 HB3 -0.26 0.04 0.04 -0.04 1.64 1.42 1fpmB1 LEU 218 HG -1.04 -0.02 -0.26 -0.04 1.64 0.28 1fpmB1 LEU 218 HD13 -0.19 0.01 -0.32 -0.04 0.93 0.38 1fpmB1 LEU 218 HD23 -0.12 -0.01 -0.15 -0.04 0.89 0.57 1fpmB1 LYS 219 H -0.17 0.99 -0.15 -0.55 8.42 8.53 1fpmB1 LYS 219 HA -0.13 -0.00 0.25 -0.75 4.32 3.68 1fpmB1 LYS 219 HB2 -0.04 -0.01 -0.01 -0.04 1.87 1.76 1fpmB1 LYS 219 HB3 -0.05 0.14 0.11 -0.04 1.79 1.96 1fpmB1 LYS 219 HG2 0.01 -0.02 -0.34 -0.04 1.46 1.08 1fpmB1 LYS 219 HG3 0.05 -0.03 -0.33 -0.04 1.46 1.11 1fpmB1 LYS 219 HD2 0.02 -0.14 -0.03 -0.04 1.69 1.50 1fpmB1 LYS 219 HD3 0.00 0.02 -0.04 -0.04 1.68 1.62 1fpmB1 LYS 219 HE2 -0.01 0.08 0.00 -0.04 2.99 3.02 1fpmB1 LYS 219 HE3 -0.00 -0.02 -0.05 -0.04 2.99 2.87 1fpmB1 GLU 220 H -0.06 0.51 -0.07 -0.55 8.60 8.43 1fpmB1 GLU 220 HA -0.00 -0.08 0.50 -0.75 4.29 3.95 1fpmB1 GLU 220 HB2 -0.03 0.02 0.18 -0.04 2.09 2.22 1fpmB1 GLU 220 HB3 -0.04 0.12 0.15 -0.04 1.99 2.18 1fpmB1 GLU 220 HG2 -0.02 -0.04 -0.01 -0.04 2.34 2.23 1fpmB1 GLU 220 HG3 -0.02 -0.06 0.06 -0.04 2.34 2.28 1fpmB1 ARG 221 H -0.09 0.81 -0.03 -0.55 8.46 8.60 1fpmB1 ARG 221 HA -0.02 0.01 0.35 -0.75 4.34 3.93 1fpmB1 ARG 221 HB2 -0.13 0.03 -0.03 -0.04 1.90 1.72 1fpmB1 ARG 221 HB3 -0.06 -0.02 -0.05 -0.04 1.80 1.63 1fpmB1 ARG 221 HG2 -0.05 -0.02 0.03 -0.04 1.67 1.59 1fpmB1 ARG 221 HG3 -0.08 -0.05 -0.01 -0.04 1.67 1.48 1fpmB1 ARG 221 HD2 -0.08 -0.20 -0.01 -0.04 3.22 2.88 1fpmB1 ARG 221 HD3 -0.05 0.01 -0.02 -0.04 3.22 3.13 1fpmB1 PHE 222 H 0.07 0.24 -1.03 -0.55 8.34 7.06 1fpmB1 PHE 222 HA -0.03 0.05 0.63 -0.75 4.62 4.52 1fpmB1 PHE 222 HB2 -0.03 0.55 0.26 -0.04 3.15 3.88 1fpmB1 PHE 222 HB3 -0.07 -0.16 -0.04 -0.04 3.06 2.75 1fpmB1 PHE 222 HD2 0.01 0.05 -0.07 -0.04 7.28 7.23 1fpmB1 PHE 222 HE2 0.06 -0.03 -0.22 -0.04 7.38 7.16 1fpmB1 PHE 222 HZ 0.08 -0.05 -0.17 -0.04 7.32 7.14 1fpmB1 SER 223 H 0.10 0.34 0.17 -0.55 8.46 8.52 1fpmB1 SER 223 HA -0.04 -0.15 0.32 -0.75 4.49 3.86 1fpmB1 SER 223 HB2 -0.01 -0.10 0.10 -0.04 3.95 3.90 1fpmB1 SER 223 HB3 0.01 -0.08 0.17 -0.04 3.93 3.98 1fpmB1 ARG 224 H 0.03 0.32 -0.47 -0.55 8.46 7.79 1fpmB1 ARG 224 HA 0.03 0.00 0.55 -0.75 4.34 4.17 1fpmB1 ARG 224 HB2 0.05 0.32 0.10 -0.04 1.90 2.32 1fpmB1 ARG 224 HB3 0.09 -0.06 0.11 -0.04 1.80 1.89 1fpmB1 ARG 224 HG2 0.00 -0.10 -0.06 -0.04 1.67 1.48 1fpmB1 ARG 224 HG3 0.01 0.17 -0.00 -0.04 1.67 1.81 1fpmB1 ARG 224 HD2 -0.02 0.03 -0.04 -0.04 3.22 3.15 1fpmB1 ARG 224 HD3 -0.01 -0.00 -0.01 -0.04 3.22 3.16 1fpmB1 ILE 225 H -0.01 0.41 -0.21 -0.55 8.25 7.89 1fpmB1 ILE 225 HA -0.01 -0.12 0.28 -0.75 4.18 3.57 1fpmB1 ILE 225 HB 0.05 0.08 -0.01 -0.04 1.89 1.96 1fpmB1 ILE 225 HG12 -0.11 0.06 -0.40 -0.04 1.49 0.99 1fpmB1 ILE 225 HG13 0.25 -0.06 -0.08 -0.04 1.21 1.28 1fpmB1 ILE 225 HG23 -0.34 0.28 0.14 -0.04 0.93 0.98 1fpmB1 ILE 225 HD13 0.70 -0.02 -0.08 -0.04 0.88 1.44 1fpmB1 VAL 226 H -0.12 0.05 0.24 -0.55 8.24 7.87 1fpmB1 VAL 226 HA -0.20 0.09 0.71 -0.75 4.13 3.98 1fpmB1 VAL 226 HB -0.26 -0.05 0.19 -0.04 2.12 1.95 1fpmB1 VAL 226 HG13 -0.42 0.01 -0.16 -0.04 0.97 0.37 1fpmB1 VAL 226 HG23 -0.25 0.04 0.01 -0.04 0.95 0.71 1fpmB1 VAL 227 H -0.23 0.40 0.37 -0.55 8.24 8.23 1fpmB1 VAL 227 HA 0.06 0.14 0.73 -0.75 4.13 4.30 1fpmB1 VAL 227 HB -0.14 -0.03 0.03 -0.04 2.12 1.93 1fpmB1 VAL 227 HG13 -0.67 0.01 -0.09 -0.04 0.97 0.17 1fpmB1 VAL 227 HG23 -0.20 0.03 -0.14 -0.04 0.95 0.60 1fpmB1 GLY 228 H -0.24 0.39 0.27 -0.55 8.43 8.30 1fpmB1 GLY 228 HA2 -0.06 0.19 0.35 -0.51 4.01 3.98 1fpmB1 GLY 228 HA3 -0.01 0.03 0.30 -0.51 4.01 3.82 1fpmB1 TYR 229 H 0.27 0.17 0.04 -0.55 8.29 8.22 1fpmB1 TYR 229 HA -0.01 0.24 0.80 -0.75 4.56 4.84 1fpmB1 TYR 229 HB2 0.03 0.04 -0.05 -0.04 3.06 3.04 1fpmB1 TYR 229 HB3 0.02 -0.02 -0.33 -0.04 2.98 2.61 1fpmB1 TYR 229 HD2 0.04 0.09 -0.13 -0.04 7.15 7.11 1fpmB1 TYR 229 HE2 0.06 0.05 -0.03 -0.04 6.85 6.89 1fpmB1 THR 230 H 0.13 0.21 0.06 -0.55 8.28 8.12 1fpmB1 THR 230 HA -0.07 0.09 1.04 -0.75 4.39 4.69 1fpmB1 THR 230 HB -0.05 0.01 0.30 -0.04 4.32 4.55 1fpmB1 THR 230 HG23 -0.07 -0.00 -0.31 -0.04 1.22 0.80 1fpmB1 TYR 231 H -0.08 0.56 0.27 -0.55 8.29 8.50 1fpmB1 TYR 231 HA 0.02 0.08 0.49 -0.75 4.56 4.40 1fpmB1 TYR 231 HB2 0.02 0.02 0.14 -0.04 3.06 3.20 1fpmB1 TYR 231 HB3 0.01 0.00 0.08 -0.04 2.98 3.03 1fpmB1 TYR 231 HD2 0.02 -0.02 -0.05 -0.04 7.15 7.06 1fpmB1 TYR 231 HE2 0.02 -0.08 0.02 -0.04 6.85 6.77 1fpmB1 ASP 232 H 0.10 0.05 -0.15 -0.55 8.40 7.85 1fpmB1 ASP 232 HA 0.07 0.19 0.63 -0.75 4.63 4.76 1fpmB1 ASP 232 HB2 0.05 -0.05 0.07 -0.04 2.71 2.75 1fpmB1 ASP 232 HB3 0.05 0.05 0.10 -0.04 2.70 2.86 1fpmB1 GLY 233 H 0.10 0.25 -0.52 -0.55 8.43 7.71 1fpmB1 GLY 233 HA2 0.06 0.05 0.23 -0.51 4.01 3.84 1fpmB1 GLY 233 HA3 0.04 0.18 0.60 -0.51 4.01 4.31 1fpmB1 LYS 234 H 0.09 -0.07 -0.17 -0.55 8.42 7.71 1fpmB1 LYS 234 HA 0.11 0.21 0.53 -0.75 4.32 4.42 1fpmB1 LYS 234 HB2 0.05 0.02 0.03 -0.04 1.87 1.93 1fpmB1 LYS 234 HB3 0.04 -0.13 0.12 -0.04 1.79 1.79 1fpmB1 LYS 234 HG2 0.02 0.19 -0.21 -0.04 1.46 1.43 1fpmB1 LYS 234 HG3 0.04 0.04 0.02 -0.04 1.46 1.53 1fpmB1 LYS 234 HD2 0.02 -0.03 0.01 -0.04 1.69 1.66 1fpmB1 LYS 234 HD3 0.01 -0.03 0.00 -0.04 1.68 1.63 1fpmB1 LYS 234 HE2 0.00 0.00 0.01 -0.04 2.99 2.97 1fpmB1 LYS 234 HE3 0.02 0.03 0.02 -0.04 2.99 3.01 1fpmB1 PRO 235 HA -0.21 0.07 0.50 -0.51 4.44 4.29 1fpmB1 PRO 235 HB2 0.08 -0.01 0.03 -0.04 2.28 2.34 1fpmB1 PRO 235 HB3 -0.09 0.01 0.09 -0.04 2.02 1.99 1fpmB1 PRO 235 HG2 0.27 0.04 0.10 -0.04 2.03 2.39 1fpmB1 PRO 235 HG3 0.34 0.06 0.10 -0.04 2.03 2.48 1fpmB1 PRO 235 HD2 0.12 0.08 0.23 -0.04 3.68 4.07 1fpmB1 PRO 235 HD3 0.19 0.28 0.36 -0.04 3.65 4.45 1fpmB1 VAL 236 H -0.26 0.62 0.43 -0.55 8.24 8.47 1fpmB1 VAL 236 HA -0.09 0.14 0.85 -0.75 4.13 4.28 1fpmB1 VAL 236 HB -0.17 -0.08 -0.03 -0.04 2.12 1.80 1fpmB1 VAL 236 HG13 -0.16 0.00 -0.11 -0.04 0.97 0.65 1fpmB1 VAL 236 HG23 -0.10 0.02 -0.24 -0.04 0.95 0.59 1fpmB1 THR 237 H -0.10 0.11 0.17 -0.55 8.28 7.91 1fpmB1 THR 237 HA -0.18 0.20 1.06 -0.75 4.39 4.72 1fpmB1 THR 237 HB -0.09 0.31 0.03 -0.04 4.32 4.53 1fpmB1 THR 237 HG23 -0.01 0.01 -0.21 -0.04 1.22 0.97 1fpmB1 ALA 238 H -0.25 0.71 0.17 -0.55 8.40 8.49 1fpmB1 ALA 238 HA -0.28 0.03 0.36 -0.75 4.34 3.70 1fpmB1 ALA 238 HB3 -0.31 0.03 0.01 -0.04 1.41 1.09 1fpmB1 GLY 239 H -0.10 0.47 -0.29 -0.55 8.43 7.96 1fpmB1 GLY 239 HA2 -0.05 -0.06 0.45 -0.51 4.01 3.84 1fpmB1 GLY 239 HA3 -0.05 0.16 0.32 -0.51 4.01 3.93 1fpmB1 ASP 240 H -0.07 0.09 -0.02 -0.55 8.40 7.86 1fpmB1 ASP 240 HA -0.03 0.05 0.34 -0.75 4.63 4.23 1fpmB1 ASP 240 HB2 -0.09 0.03 0.09 -0.04 2.71 2.70 1fpmB1 ASP 240 HB3 -0.05 0.02 0.11 -0.04 2.70 2.75 1fpmB1 LEU 241 H -0.09 0.16 -1.00 -0.55 8.37 6.90 1fpmB1 LEU 241 HA -0.01 0.14 0.75 -0.75 4.35 4.48 1fpmB1 LEU 241 HB2 -0.15 0.02 0.12 -0.04 1.64 1.59 1fpmB1 LEU 241 HB3 -0.09 -0.05 0.01 -0.04 1.64 1.47 1fpmB1 LEU 241 HG -0.14 -0.03 -0.29 -0.04 1.64 1.14 1fpmB1 LEU 241 HD13 -0.21 -0.02 -0.21 -0.04 0.93 0.46 1fpmB1 LEU 241 HD23 -0.08 0.01 -0.07 -0.04 0.89 0.71 1fpmB1 GLU 242 H -0.05 0.52 0.15 -0.55 8.60 8.67 1fpmB1 GLU 242 HA -0.03 -0.02 0.39 -0.75 4.29 3.88 1fpmB1 GLU 242 HB2 -0.02 0.30 0.36 -0.04 2.09 2.69 1fpmB1 GLU 242 HB3 -0.01 -0.12 0.24 -0.04 1.99 2.06 1fpmB1 GLU 242 HG2 -0.01 0.08 -0.51 -0.04 2.34 1.85 1fpmB1 GLU 242 HG3 -0.01 -0.02 -0.09 -0.04 2.34 2.19 1fpmB1 ALA 243 H -0.08 0.35 -0.04 -0.55 8.40 8.08 1fpmB1 ALA 243 HA -0.04 0.17 0.69 -0.75 4.34 4.41 1fpmB1 ALA 243 HB3 -0.13 0.02 0.03 -0.04 1.41 1.29 1fpmB1 GLN 244 H -0.03 0.12 -0.23 -0.55 8.47 7.79 1fpmB1 GLN 244 HA 0.07 0.11 0.29 -0.75 4.36 4.09 1fpmB1 GLN 244 HB2 0.05 0.11 -0.03 -0.04 2.15 2.24 1fpmB1 GLN 244 HB3 0.02 0.00 0.07 -0.04 2.02 2.06 1fpmB1 GLN 244 HG2 0.01 -0.35 0.05 -0.04 2.40 2.06 1fpmB1 GLN 244 HG3 0.00 0.10 0.02 -0.04 2.39 2.47 1fpmB1 GLN 244 HE21 -0.02 0.13 0.18 -0.04 6.97 7.22 1fpmB1 GLN 244 HE22 -0.01 0.04 0.03 -0.04 7.69 7.71 1fpmB1 GLY 245 H 0.03 0.15 -0.06 -0.55 8.43 8.01 1fpmB1 GLY 245 HA2 0.05 0.03 0.33 -0.51 4.01 3.91 1fpmB1 GLY 245 HA3 0.03 0.08 0.24 -0.51 4.01 3.85 1fpmB1 SER 246 H 0.02 0.11 -0.38 -0.55 8.46 7.67 1fpmB1 SER 246 HA 0.03 0.02 0.30 -0.75 4.49 4.09 1fpmB1 SER 246 HB2 0.00 0.06 0.12 -0.04 3.95 4.09 1fpmB1 SER 246 HB3 0.02 0.00 0.02 -0.04 3.93 3.93 1fpmB1 MET 247 H 0.03 0.67 -0.02 -0.55 8.47 8.61 1fpmB1 MET 247 HA 0.06 -0.05 0.37 -0.75 4.52 4.15 1fpmB1 MET 247 HB2 0.11 0.16 0.18 -0.04 2.15 2.56 1fpmB1 MET 247 HB3 -0.15 -0.06 0.06 -0.04 2.03 1.84 1fpmB1 MET 247 HG2 -0.16 0.11 0.17 -0.04 2.63 2.71 1fpmB1 MET 247 HG3 -0.09 0.04 0.17 -0.04 2.56 2.63 1fpmB1 MET 247 HE3 -0.84 0.00 0.03 -0.04 2.10 1.25 1fpmB1 ALA 248 H 0.21 0.48 -0.28 -0.55 8.40 8.26 1fpmB1 ALA 248 HA 0.20 -0.04 0.29 -0.75 4.34 4.04 1fpmB1 ALA 248 HB3 0.06 0.03 0.07 -0.04 1.41 1.52 1fpmB1 LEU 249 H 0.08 0.70 0.02 -0.55 8.37 8.62 1fpmB1 LEU 249 HA 0.05 -0.05 0.46 -0.75 4.35 4.06 1fpmB1 LEU 249 HB2 0.04 -0.04 0.10 -0.04 1.64 1.70 1fpmB1 LEU 249 HB3 0.05 0.16 0.11 -0.04 1.64 1.92 1fpmB1 LEU 249 HG 0.04 0.01 -0.15 -0.04 1.64 1.49 1fpmB1 LEU 249 HD13 0.03 -0.03 0.10 -0.04 0.93 0.99 1fpmB1 LEU 249 HD23 0.02 -0.01 -0.02 -0.04 0.89 0.84 1fpmB1 LEU 250 H 0.10 0.52 -0.24 -0.55 8.37 8.20 1fpmB1 LEU 250 HA 0.07 0.01 0.47 -0.75 4.35 4.15 1fpmB1 LEU 250 HB2 0.14 0.26 0.12 -0.04 1.64 2.12 1fpmB1 LEU 250 HB3 0.14 -0.05 0.09 -0.04 1.64 1.78 1fpmB1 LEU 250 HG 0.14 -0.05 -0.12 -0.04 1.64 1.56 1fpmB1 LEU 250 HD13 0.07 -0.02 -0.04 -0.04 0.93 0.90 1fpmB1 LEU 250 HD23 0.08 -0.06 -0.10 -0.04 0.89 0.77 1fpmB1 MET 251 H 0.12 0.43 -0.50 -0.55 8.47 7.98 1fpmB1 MET 251 HA 0.12 0.07 0.79 -0.75 4.52 4.76 1fpmB1 MET 251 HB2 0.14 0.19 0.08 -0.04 2.15 2.52 1fpmB1 MET 251 HB3 0.13 -0.14 0.04 -0.04 2.03 2.02 1fpmB1 MET 251 HG2 0.23 0.13 -0.18 -0.04 2.63 2.77 1fpmB1 MET 251 HG3 0.38 -0.02 -0.15 -0.04 2.56 2.72 1fpmB1 MET 251 HE3 0.23 -0.01 -0.14 -0.04 2.10 2.14 1fpmB1 LYS 252 H 0.07 0.34 -0.08 -0.55 8.42 8.20 1fpmB1 LYS 252 HA 0.04 -0.03 0.34 -0.75 4.32 3.91 1fpmB1 LYS 252 HB2 0.04 -0.02 0.14 -0.04 1.87 1.99 1fpmB1 LYS 252 HB3 0.04 0.12 0.08 -0.04 1.79 2.00 1fpmB1 LYS 252 HG2 0.04 0.02 -0.22 -0.04 1.46 1.26 1fpmB1 LYS 252 HG3 0.03 -0.07 0.07 -0.04 1.46 1.45 1fpmB1 LYS 252 HD2 0.03 -0.02 0.01 -0.04 1.69 1.66 1fpmB1 LYS 252 HD3 0.03 0.05 -0.02 -0.04 1.68 1.70 1fpmB1 LYS 252 HE2 0.03 0.01 -0.05 -0.04 2.99 2.94 1fpmB1 LYS 252 HE3 0.02 -0.03 -0.01 -0.04 2.99 2.93 1fpmB1 ASP 253 H 0.07 0.08 -0.67 -0.55 8.40 7.34 1fpmB1 ASP 253 HA 0.06 0.18 0.81 -0.75 4.63 4.93 1fpmB1 ASP 253 HB2 0.10 0.04 -0.00 -0.04 2.71 2.81 1fpmB1 ASP 253 HB3 0.14 0.03 0.01 -0.04 2.70 2.84 1fpmB1 ALA 254 H 0.08 0.24 0.08 -0.55 8.40 8.25 1fpmB1 ALA 254 HA -0.01 0.18 0.68 -0.75 4.34 4.43 1fpmB1 ALA 254 HB3 0.11 -0.01 0.12 -0.04 1.41 1.58 1fpmB1 ILE 255 H 0.07 0.43 -0.09 -0.55 8.25 8.11 1fpmB1 ILE 255 HA 0.15 0.02 0.26 -0.75 4.18 3.86 1fpmB1 ILE 255 HB 0.04 -0.00 -0.02 -0.04 1.89 1.86 1fpmB1 ILE 255 HG12 -0.01 -0.26 -0.04 -0.04 1.49 1.14 1fpmB1 ILE 255 HG13 0.03 0.04 -0.11 -0.04 1.21 1.12 1fpmB1 ILE 255 HG23 0.03 0.00 -0.19 -0.04 0.93 0.74 1fpmB1 ILE 255 HD13 0.01 0.03 -0.06 -0.04 0.88 0.82 1fpmB1 LYS 256 H 0.00 0.07 -0.85 -0.55 8.42 7.08 1fpmB1 LYS 256 HA 0.02 0.08 0.50 -0.75 4.32 4.16 1fpmB1 LYS 256 HB2 -0.04 0.11 -0.02 -0.04 1.87 1.88 1fpmB1 LYS 256 HB3 -0.01 0.17 -0.12 -0.04 1.79 1.80 1fpmB1 LYS 256 HG2 0.03 -0.13 -0.07 -0.04 1.46 1.25 1fpmB1 LYS 256 HG3 0.03 0.00 -0.06 -0.04 1.46 1.39 1fpmB1 LYS 256 HD2 0.05 0.04 -0.01 -0.04 1.69 1.72 1fpmB1 LYS 256 HD3 0.04 -0.02 -0.27 -0.04 1.68 1.38 1fpmB1 LYS 256 HE2 0.04 -0.13 -0.04 -0.04 2.99 2.82 1fpmB1 LYS 256 HE3 0.04 0.12 0.02 -0.04 2.99 3.13 1fpmB1 PRO 257 HA -0.39 -0.03 0.47 -0.51 4.44 3.98 1fpmB1 PRO 257 HB2 -0.29 0.10 0.04 -0.04 2.28 2.08 1fpmB1 PRO 257 HB3 0.01 -0.07 0.04 -0.04 2.02 1.96 1fpmB1 PRO 257 HG2 0.10 -0.03 0.07 -0.04 2.03 2.14 1fpmB1 PRO 257 HG3 -0.24 0.07 -0.00 -0.04 2.03 1.81 1fpmB1 PRO 257 HD2 0.02 0.51 0.28 -0.04 3.68 4.45 1fpmB1 PRO 257 HD3 0.02 0.09 0.14 -0.04 3.65 3.86 1fpmB1 ASN 258 H 0.06 0.02 0.05 -0.55 8.53 8.12 1fpmB1 ASN 258 HA -0.03 0.14 0.56 -0.75 4.76 4.67 1fpmB1 ASN 258 HB2 0.28 0.16 0.09 -0.04 2.88 3.37 1fpmB1 ASN 258 HB3 0.08 -0.09 0.07 -0.04 2.79 2.80 1fpmB1 ASN 258 HD21 0.21 -0.14 0.07 -0.04 7.03 7.13 1fpmB1 ASN 258 HD22 0.39 0.37 0.20 -0.04 7.74 8.66 1fpmB1 LEU 259 H -0.01 -0.03 0.13 -0.55 8.37 7.92 1fpmB1 LEU 259 HA -0.02 0.26 0.85 -0.75 4.35 4.69 1fpmB1 LEU 259 HB2 0.01 0.11 -0.20 -0.04 1.64 1.53 1fpmB1 LEU 259 HB3 -0.02 -0.04 0.10 -0.04 1.64 1.63 1fpmB1 LEU 259 HG -0.10 -0.10 -0.27 -0.04 1.64 1.13 1fpmB1 LEU 259 HD13 -0.49 0.05 -0.07 -0.04 0.93 0.39 1fpmB1 LEU 259 HD23 -0.08 -0.01 -0.18 -0.04 0.89 0.58 1fpmB1 VAL 260 H -0.03 0.88 0.36 -0.55 8.24 8.91 1fpmB1 VAL 260 HA -0.01 0.07 0.60 -0.75 4.13 4.04 1fpmB1 VAL 260 HB 0.05 0.24 0.26 -0.04 2.12 2.62 1fpmB1 VAL 260 HG13 0.05 0.02 0.09 -0.04 0.97 1.10 1fpmB1 VAL 260 HG23 0.15 -0.06 -0.21 -0.04 0.95 0.79 1fpmB1 GLN 261 H -0.03 0.16 0.15 -0.55 8.47 8.21 1fpmB1 GLN 261 HA -0.04 0.31 0.75 -0.75 4.36 4.63 1fpmB1 GLN 261 HB2 -0.05 -0.29 0.04 -0.04 2.15 1.81 1fpmB1 GLN 261 HB3 -0.06 0.14 -0.17 -0.04 2.02 1.89 1fpmB1 GLN 261 HG2 -0.08 -0.02 0.04 -0.04 2.40 2.30 1fpmB1 GLN 261 HG3 -0.10 0.04 0.04 -0.04 2.39 2.32 1fpmB1 GLN 261 HE21 -0.09 0.43 -0.03 -0.04 6.97 7.23 1fpmB1 GLN 261 HE22 -0.13 -0.04 0.07 -0.04 7.69 7.54 1fpmB1 THR 262 H -0.03 0.01 -0.07 -0.55 8.28 7.64 1fpmB1 THR 262 HA -0.02 0.20 0.57 -0.75 4.39 4.38 1fpmB1 THR 262 HB -0.01 -0.23 -0.13 -0.04 4.32 3.90 1fpmB1 THR 262 HG23 -0.01 -0.05 -0.11 -0.04 1.22 1.01 1fpmB1 LEU 263 H -0.03 0.16 -0.02 -0.55 8.37 7.94 1fpmB1 LEU 263 HA -0.06 0.15 0.49 -0.75 4.35 4.18 1fpmB1 LEU 263 HB2 -0.01 -0.07 0.02 -0.04 1.64 1.54 1fpmB1 LEU 263 HB3 -0.04 0.09 0.10 -0.04 1.64 1.74 1fpmB1 LEU 263 HG -0.08 0.10 0.07 -0.04 1.64 1.69 1fpmB1 LEU 263 HD13 -0.22 -0.03 0.07 -0.04 0.93 0.71 1fpmB1 LEU 263 HD23 -0.12 0.03 0.06 -0.04 0.89 0.81 1fpmB1 GLU 264 H -0.01 -0.05 -0.29 -0.55 8.60 7.70 1fpmB1 GLU 264 HA -0.01 0.26 0.64 -0.75 4.29 4.43 1fpmB1 GLU 264 HB2 0.00 -0.07 0.09 -0.04 2.09 2.07 1fpmB1 GLU 264 HB3 0.00 0.13 0.20 -0.04 1.99 2.27 1fpmB1 GLU 264 HG2 0.02 0.09 -0.00 -0.04 2.34 2.40 1fpmB1 GLU 264 HG3 0.03 -0.11 -0.04 -0.04 2.34 2.18 1fpmB1 ASN 265 H -0.04 0.47 -0.79 -0.55 8.53 7.62 1fpmB1 ASN 265 HA -0.05 -0.03 0.25 -0.75 4.76 4.17 1fpmB1 ASN 265 HB2 -0.03 0.16 -0.15 -0.04 2.88 2.82 1fpmB1 ASN 265 HB3 -0.04 -0.03 0.09 -0.04 2.79 2.77 1fpmB1 ASN 265 HD21 -0.04 0.04 -0.11 -0.04 7.03 6.87 1fpmB1 ASN 265 HD22 -0.03 -0.02 -0.09 -0.04 7.74 7.55 1fpmB1 THR 266 H -0.02 -0.16 -0.66 -0.55 8.28 6.90 1fpmB1 THR 266 HA -0.02 0.24 0.50 -0.75 4.39 4.35 1fpmB1 THR 266 HB -0.00 -0.10 -0.11 -0.04 4.32 4.07 1fpmB1 THR 266 HG23 0.01 0.08 0.01 -0.04 1.22 1.28 1fpmB1 PRO 267 HA -0.10 -0.04 0.35 -0.51 4.44 4.13 1fpmB1 PRO 267 HB2 -0.08 0.04 0.16 -0.04 2.28 2.35 1fpmB1 PRO 267 HB3 -0.16 0.03 0.02 -0.04 2.02 1.87 1fpmB1 PRO 267 HG2 -0.05 0.14 0.12 -0.04 2.03 2.20 1fpmB1 PRO 267 HG3 -0.07 -0.02 0.09 -0.04 2.03 2.00 1fpmB1 PRO 267 HD2 -0.03 0.15 0.30 -0.04 3.68 4.06 1fpmB1 PRO 267 HD3 -0.03 0.27 0.39 -0.04 3.65 4.24 1fpmB1 ALA 268 H -0.09 0.67 0.43 -0.55 8.40 8.85 1fpmB1 ALA 268 HA -0.02 0.04 0.98 -0.75 4.34 4.59 1fpmB1 ALA 268 HB3 0.01 -0.01 -0.17 -0.04 1.41 1.20 1fpmB1 PHE 269 H 0.15 0.40 0.08 -0.55 8.34 8.41 1fpmB1 PHE 269 HA 0.06 0.26 0.75 -0.75 4.62 4.94 1fpmB1 PHE 269 HB2 0.05 0.34 0.30 -0.04 3.15 3.81 1fpmB1 PHE 269 HB3 0.08 -0.16 0.01 -0.04 3.06 2.95 1fpmB1 PHE 269 HD2 0.05 0.26 0.13 -0.04 7.28 7.67 1fpmB1 PHE 269 HE2 0.03 0.02 -0.10 -0.04 7.38 7.30 1fpmB1 PHE 269 HZ 0.04 -0.01 -0.09 -0.04 7.32 7.22 1fpmB1 ILE 270 H 0.30 0.28 -0.15 -0.55 8.25 8.14 1fpmB1 ILE 270 HA 0.09 0.02 0.49 -0.75 4.18 4.02 1fpmB1 ILE 270 HB 0.06 0.03 -0.27 -0.04 1.89 1.67 1fpmB1 ILE 270 HG12 -0.22 -0.04 -0.19 -0.04 1.49 1.00 1fpmB1 ILE 270 HG13 -0.11 -0.02 -0.42 -0.04 1.21 0.62 1fpmB1 ILE 270 HG23 0.31 0.02 -0.18 -0.04 0.93 1.03 1fpmB1 ILE 270 HD13 -0.32 0.00 -0.16 -0.04 0.88 0.35 1fpmB1 HIS 271 H 0.15 0.41 -0.06 -0.55 8.41 8.36 1fpmB1 HIS 271 HA 0.05 0.08 0.90 -0.75 4.63 4.91 1fpmB1 HIS 271 HB2 0.04 -0.18 -0.05 -0.04 3.26 3.03 1fpmB1 HIS 271 HB3 -0.03 0.03 0.09 -0.04 3.20 3.25 1fpmB1 HIS 271 HD2 0.02 -0.21 -0.03 -0.04 6.97 6.71 1fpmB1 HIS 271 HE1 -0.03 0.34 -0.50 -0.04 7.75 7.51 1fpmB1 GLY 272 H 0.27 0.09 0.12 -0.55 8.43 8.36 1fpmB1 GLY 272 HA2 0.10 0.04 0.30 -0.51 4.01 3.94 1fpmB1 GLY 272 HA3 0.00 0.16 0.76 -0.51 4.01 4.42 1fpmB1 GLY 273 H 0.02 0.17 -0.02 -0.55 8.43 8.05 1fpmB1 GLY 273 HA2 -0.04 0.09 0.18 -0.51 4.01 3.73 1fpmB1 GLY 273 HA3 -0.01 0.13 0.46 -0.51 4.01 4.08 1fpmB1 PRO 274 HA 0.09 0.32 0.59 -0.51 4.44 4.93 1fpmB1 PRO 274 HB2 0.12 -0.01 -0.14 -0.04 2.28 2.21 1fpmB1 PRO 274 HB3 0.12 0.05 -0.14 -0.04 2.02 2.01 1fpmB1 PRO 274 HG2 -0.24 -0.20 -0.21 -0.04 2.03 1.35 1fpmB1 PRO 274 HG3 -0.22 0.24 -0.04 -0.04 2.03 1.97 1fpmB1 PRO 274 HD2 -0.11 0.12 -0.15 -0.04 3.68 3.49 1fpmB1 PRO 274 HD3 -0.03 0.02 0.07 -0.04 3.65 3.67 1fpmB1 PHE 275 H 0.24 0.22 0.03 -0.55 8.34 8.28 1fpmB1 PHE 275 HA -0.07 0.03 0.40 -0.75 4.62 4.23 1fpmB1 PHE 275 HB2 0.00 0.11 0.08 -0.04 3.15 3.31 1fpmB1 PHE 275 HB3 0.04 -0.17 -0.02 -0.04 3.06 2.87 1fpmB1 PHE 275 HD2 0.01 -0.01 -0.20 -0.04 7.28 7.04 1fpmB1 PHE 275 HE2 0.01 -0.01 -0.18 -0.04 7.38 7.16 1fpmB1 PHE 275 HZ 0.01 0.09 -0.04 -0.04 7.32 7.35 1fpmB1 ALA 276 H -0.36 0.11 0.14 -0.55 8.40 7.74 1fpmB1 ALA 276 HA -0.06 0.20 0.20 -0.75 4.34 3.93 1fpmB1 ALA 276 HB3 -0.64 0.02 0.02 -0.04 1.41 0.77 1fpmB1 ASN 277 H 0.28 -0.11 -0.25 -0.55 8.53 7.90 1fpmB1 ASN 277 HA 0.27 0.29 0.61 -0.75 4.76 5.18 1fpmB1 ASN 277 HB2 0.08 0.08 -0.07 -0.04 2.88 2.92 1fpmB1 ASN 277 HB3 0.21 -0.07 -0.01 -0.04 2.79 2.88 1fpmB1 ASN 277 HD21 0.26 -0.00 -0.11 -0.04 7.03 7.14 1fpmB1 ASN 277 HD22 0.09 -0.03 -0.10 -0.04 7.74 7.66 1fpmB1 ILE 278 H 0.31 -0.05 -0.11 -0.55 8.25 7.84 1fpmB1 ILE 278 HA 0.13 0.10 0.35 -0.75 4.18 4.00 1fpmB1 ILE 278 HB 0.25 -0.10 0.00 -0.04 1.89 2.01 1fpmB1 ILE 278 HG12 0.08 -0.01 -0.02 -0.04 1.49 1.51 1fpmB1 ILE 278 HG13 0.08 0.03 -0.01 -0.04 1.21 1.27 1fpmB1 ILE 278 HG23 0.05 0.01 -0.14 -0.04 0.93 0.82 1fpmB1 ILE 278 HD13 0.19 0.05 -0.11 -0.04 0.88 0.97 1fpmB1 ALA 279 H 0.20 0.18 -0.58 -0.55 8.40 7.66 1fpmB1 ALA 279 HA 0.16 0.13 0.55 -0.75 4.34 4.43 1fpmB1 ALA 279 HB3 0.21 0.03 -0.11 -0.04 1.41 1.49 1fpmB1 HIS 280 H 0.36 0.13 -0.01 -0.55 8.41 8.34 1fpmB1 HIS 280 HA 0.04 0.14 0.19 -0.75 4.63 4.25 1fpmB1 HIS 280 HB2 -0.04 0.05 -0.10 -0.04 3.26 3.13 1fpmB1 HIS 280 HB3 -0.02 0.01 0.02 -0.04 3.20 3.17 1fpmB1 HIS 280 HD2 0.02 -0.19 -0.06 -0.04 6.97 6.69 1fpmB1 HIS 280 HE1 -0.08 0.30 -0.21 -0.04 7.75 7.72 1fpmB1 GLY 281 H -0.07 0.00 -0.94 -0.55 8.43 6.88 1fpmB1 GLY 281 HA2 -0.21 0.08 -0.21 -0.51 4.01 3.17 1fpmB1 GLY 281 HA3 -0.19 -0.12 0.28 -0.51 4.01 3.47 1fpmB1 CYS 282 H -1.25 0.04 -0.35 -0.55 8.50 6.40 1fpmB1 CYS 282 HA -0.16 0.14 0.89 -0.75 4.58 4.71 1fpmB1 CYS 282 HB2 -0.09 0.14 -0.08 -0.04 2.97 2.90 1fpmB1 CYS 282 HB3 0.04 0.06 0.08 -0.04 2.97 3.11 1fpmB1 ASN 283 H -0.03 0.22 0.11 -0.55 8.53 8.28 1fpmB1 ASN 283 HA -0.06 -0.06 0.40 -0.75 4.76 4.29 1fpmB1 ASN 283 HB2 -0.01 0.21 0.21 -0.04 2.88 3.25 1fpmB1 ASN 283 HB3 -0.01 -0.09 -0.08 -0.04 2.79 2.57 1fpmB1 ASN 283 HD21 0.08 -0.14 0.06 -0.04 7.03 6.99 1fpmB1 ASN 283 HD22 0.03 0.17 0.16 -0.04 7.74 8.07 1fpmB1 SER 284 H -0.10 0.46 0.28 -0.55 8.46 8.55 1fpmB1 SER 284 HA -0.08 0.16 0.63 -0.75 4.49 4.44 1fpmB1 SER 284 HB2 -0.42 0.02 -0.08 -0.04 3.95 3.43 1fpmB1 SER 284 HB3 -0.40 -0.09 -0.12 -0.04 3.93 3.28 1fpmB1 ILE 285 H -0.12 0.19 0.06 -0.55 8.25 7.83 1fpmB1 ILE 285 HA -0.02 0.12 0.48 -0.75 4.18 4.01 1fpmB1 ILE 285 HB -0.10 -0.06 0.12 -0.04 1.89 1.81 1fpmB1 ILE 285 HG12 -0.29 -0.01 0.01 -0.04 1.49 1.15 1fpmB1 ILE 285 HG13 -0.15 0.29 0.19 -0.04 1.21 1.51 1fpmB1 ILE 285 HG23 0.02 0.01 -0.14 -0.04 0.93 0.78 1fpmB1 ILE 285 HD13 -0.15 -0.02 -0.11 -0.04 0.88 0.56 1fpmB1 ILE 286 H -0.13 0.31 0.09 -0.55 8.25 7.97 1fpmB1 ILE 286 HA -0.21 0.05 0.33 -0.75 4.18 3.59 1fpmB1 ILE 286 HB -0.12 -0.01 0.08 -0.04 1.89 1.80 1fpmB1 ILE 286 HG12 -0.07 0.13 -0.02 -0.04 1.49 1.49 1fpmB1 ILE 286 HG13 -0.25 -0.28 -0.17 -0.04 1.21 0.47 1fpmB1 ILE 286 HG23 -0.12 0.04 0.15 -0.04 0.93 0.96 1fpmB1 ILE 286 HD13 0.08 0.03 -0.26 -0.04 0.88 0.68 1fpmB1 ALA 287 H -0.21 0.02 -0.69 -0.55 8.40 6.97 1fpmB1 ALA 287 HA -0.54 0.03 0.37 -0.75 4.34 3.46 1fpmB1 ALA 287 HB3 -0.17 0.02 0.03 -0.04 1.41 1.25 1fpmB1 THR 288 H -0.05 0.65 0.10 -0.55 8.28 8.43 1fpmB1 THR 288 HA 0.01 0.08 0.56 -0.75 4.39 4.29 1fpmB1 THR 288 HB 0.18 0.03 0.08 -0.04 4.32 4.57 1fpmB1 THR 288 HG23 0.01 -0.00 -0.18 -0.04 1.22 1.00 1fpmB1 LYS 289 H 0.02 0.30 -0.23 -0.55 8.42 7.96 1fpmB1 LYS 289 HA -0.19 0.09 0.26 -0.75 4.32 3.73 1fpmB1 LYS 289 HB2 -0.03 0.09 0.01 -0.04 1.87 1.90 1fpmB1 LYS 289 HB3 0.11 -0.07 -0.09 -0.04 1.79 1.71 1fpmB1 LYS 289 HG2 -0.21 -0.12 -0.09 -0.04 1.46 0.99 1fpmB1 LYS 289 HG3 -0.47 0.08 -0.37 -0.04 1.46 0.66 1fpmB1 LYS 289 HD2 -0.65 0.06 -0.04 -0.04 1.69 1.02 1fpmB1 LYS 289 HD3 -0.25 -0.09 -0.03 -0.04 1.68 1.27 1fpmB1 LYS 289 HE2 -0.39 -0.03 0.15 -0.04 2.99 2.68 1fpmB1 LYS 289 HE3 -1.28 -0.04 0.01 -0.04 2.99 1.64 1fpmB1 THR 290 H -0.08 0.34 -0.62 -0.55 8.28 7.37 1fpmB1 THR 290 HA 0.28 0.06 0.62 -0.75 4.39 4.60 1fpmB1 THR 290 HB -0.12 0.45 0.18 -0.04 4.32 4.78 1fpmB1 THR 290 HG23 0.08 -0.00 -0.20 -0.04 1.22 1.06 1fpmB1 ALA 291 H -0.03 0.36 -0.09 -0.55 8.40 8.09 1fpmB1 ALA 291 HA 0.39 -0.02 0.29 -0.75 4.34 4.26 1fpmB1 ALA 291 HB3 0.25 -0.02 0.14 -0.04 1.41 1.74 1fpmB1 LEU 292 H 0.01 0.71 -0.42 -0.55 8.37 8.12 1fpmB1 LEU 292 HA -0.01 -0.03 0.09 -0.75 4.35 3.64 1fpmB1 LEU 292 HB2 -0.05 0.11 -0.01 -0.04 1.64 1.65 1fpmB1 LEU 292 HB3 -0.07 -0.07 -0.07 -0.04 1.64 1.38 1fpmB1 LEU 292 HG -0.19 0.16 -0.20 -0.04 1.64 1.37 1fpmB1 LEU 292 HD13 -0.47 -0.03 -0.08 -0.04 0.93 0.31 1fpmB1 LEU 292 HD23 -0.10 -0.05 -0.18 -0.04 0.89 0.52 1fpmB1 LYS 293 H 0.03 0.17 -0.18 -0.55 8.42 7.89 1fpmB1 LYS 293 HA -0.02 0.18 0.25 -0.75 4.32 3.97 1fpmB1 LYS 293 HB2 0.05 0.02 0.12 -0.04 1.87 2.02 1fpmB1 LYS 293 HB3 -0.01 -0.09 -0.06 -0.04 1.79 1.60 1fpmB1 LYS 293 HG2 -0.13 -0.05 -0.01 -0.04 1.46 1.23 1fpmB1 LYS 293 HG3 -0.07 0.08 -0.02 -0.04 1.46 1.40 1fpmB1 LYS 293 HD2 0.00 -0.13 0.04 -0.04 1.69 1.57 1fpmB1 LYS 293 HD3 0.09 -0.01 0.10 -0.04 1.68 1.83 1fpmB1 LYS 293 HE2 -0.02 -0.15 0.04 -0.04 2.99 2.81 1fpmB1 LYS 293 HE3 -0.43 -0.12 -0.00 -0.04 2.99 2.39 1fpmB1 LEU 294 H 0.06 0.30 -0.28 -0.55 8.37 7.90 1fpmB1 LEU 294 HA 0.01 0.00 0.34 -0.75 4.35 3.95 1fpmB1 LEU 294 HB2 0.11 0.03 0.01 -0.04 1.64 1.76 1fpmB1 LEU 294 HB3 0.05 -0.04 0.14 -0.04 1.64 1.74 1fpmB1 LEU 294 HG 0.11 0.19 -0.03 -0.04 1.64 1.87 1fpmB1 LEU 294 HD13 0.18 -0.06 -0.13 -0.04 0.93 0.88 1fpmB1 LEU 294 HD23 0.04 -0.01 -0.08 -0.04 0.89 0.80 1fpmB1 ALA 295 H -0.02 0.83 -0.63 -0.55 8.40 8.03 1fpmB1 ALA 295 HA -0.06 -0.14 0.43 -0.75 4.34 3.81 1fpmB1 ALA 295 HB3 -0.01 0.02 -0.06 -0.04 1.41 1.32 1fpmB1 ASP 296 H -0.23 0.51 0.42 -0.55 8.40 8.55 1fpmB1 ASP 296 HA -0.29 0.22 0.76 -0.75 4.63 4.56 1fpmB1 ASP 296 HB2 -1.04 0.01 0.26 -0.04 2.71 1.90 1fpmB1 ASP 296 HB3 -1.20 -0.08 0.10 -0.04 2.70 1.47 1fpmB1 TYR 297 H -0.23 0.56 0.39 -0.55 8.29 8.47 1fpmB1 TYR 297 HA 0.00 0.05 0.80 -0.75 4.56 4.66 1fpmB1 TYR 297 HB2 0.01 -0.06 -0.14 -0.04 3.06 2.83 1fpmB1 TYR 297 HB3 0.01 -0.09 -0.05 -0.04 2.98 2.80 1fpmB1 TYR 297 HD2 0.00 -0.03 -0.23 -0.04 7.15 6.85 1fpmB1 TYR 297 HE2 0.00 0.01 -0.07 -0.04 6.85 6.75 1fpmB1 VAL 298 H 0.14 0.16 -0.12 -0.55 8.24 7.87 1fpmB1 VAL 298 HA 0.09 -0.04 0.50 -0.75 4.13 3.93 1fpmB1 VAL 298 HB 0.05 0.03 -0.03 -0.04 2.12 2.13 1fpmB1 VAL 298 HG13 0.09 -0.03 -0.29 -0.04 0.97 0.70 1fpmB1 VAL 298 HG23 0.04 0.04 -0.55 -0.04 0.95 0.43 1fpmB1 VAL 299 H 0.07 0.28 -0.17 -0.55 8.24 7.87 1fpmB1 VAL 299 HA 0.03 0.18 0.75 -0.75 4.13 4.34 1fpmB1 VAL 299 HB 0.03 0.03 0.24 -0.04 2.12 2.38 1fpmB1 VAL 299 HG13 0.01 0.04 -0.04 -0.04 0.97 0.93 1fpmB1 VAL 299 HG23 0.04 -0.02 -0.07 -0.04 0.95 0.85 1fpmB1 THR 300 H 0.03 0.30 -0.03 -0.55 8.28 8.04 1fpmB1 THR 300 HA 0.04 0.14 1.08 -0.75 4.39 4.90 1fpmB1 THR 300 HB 0.12 -0.02 -0.15 -0.04 4.32 4.22 1fpmB1 THR 300 HG23 0.16 0.01 -0.11 -0.04 1.22 1.23 1fpmB1 GLU 301 H 0.00 0.24 0.25 -0.55 8.60 8.55 1fpmB1 GLU 301 HA -0.10 0.57 1.07 -0.75 4.29 5.07 1fpmB1 GLU 301 HB2 -0.07 -0.00 0.02 -0.04 2.09 1.99 1fpmB1 GLU 301 HB3 -0.05 -0.06 -0.12 -0.04 1.99 1.73 1fpmB1 GLU 301 HG2 -0.03 0.01 0.02 -0.04 2.34 2.30 1fpmB1 GLU 301 HG3 -0.06 0.04 -0.29 -0.04 2.34 1.99 1fpmB1 ALA 302 H -0.11 0.24 0.21 -0.55 8.40 8.19 1fpmB1 ALA 302 HA -0.09 0.16 0.94 -0.75 4.34 4.60 1fpmB1 ALA 302 HB3 -0.07 0.01 -0.08 -0.04 1.41 1.23 1fpmB1 GLY 303 H -0.16 0.49 0.21 -0.55 8.43 8.42 1fpmB1 GLY 303 HA2 -0.27 -0.07 0.55 -0.51 4.01 3.72 1fpmB1 GLY 303 HA3 -0.34 -0.05 0.42 -0.51 4.01 3.53 1fpmB1 PHE 304 H -0.42 -0.02 0.18 -0.55 8.34 7.53 1fpmB1 PHE 304 HA -0.15 -0.08 0.36 -0.75 4.62 3.99 1fpmB1 PHE 304 HB2 -0.08 0.19 -0.07 -0.04 3.15 3.14 1fpmB1 PHE 304 HB3 -0.12 -0.21 0.29 -0.04 3.06 2.98 1fpmB1 PHE 304 HD2 -0.13 0.14 -0.17 -0.04 7.28 7.08 1fpmB1 PHE 304 HE2 -0.12 -0.04 -0.08 -0.04 7.38 7.10 1fpmB1 PHE 304 HZ -0.19 -0.02 -0.02 -0.04 7.32 7.05 1fpmB1 GLY 305 H 0.06 0.05 0.24 -0.55 8.43 8.24 1fpmB1 GLY 305 HA2 -0.12 0.23 0.49 -0.51 4.01 4.10 1fpmB1 GLY 305 HA3 -0.10 0.05 0.56 -0.51 4.01 4.01 1fpmB1 ALA 306 H -0.30 0.45 0.37 -0.55 8.40 8.38 1fpmB1 ALA 306 HA -0.09 -0.04 0.67 -0.75 4.34 4.13 1fpmB1 ALA 306 HB3 -0.10 0.04 0.14 -0.04 1.41 1.45 1fpmB1 ASP 307 H 0.10 0.05 -0.08 -0.55 8.40 7.91 1fpmB1 ASP 307 HA 0.16 0.21 0.48 -0.75 4.63 4.72 1fpmB1 ASP 307 HB2 0.22 0.07 -0.02 -0.04 2.71 2.94 1fpmB1 ASP 307 HB3 0.50 0.10 0.03 -0.04 2.70 3.28 1fpmB1 LEU 308 H 0.08 -0.02 -0.41 -0.55 8.37 7.47 1fpmB1 LEU 308 HA 0.14 0.22 0.81 -0.75 4.35 4.76 1fpmB1 LEU 308 HB2 0.14 -0.16 0.10 -0.04 1.64 1.68 1fpmB1 LEU 308 HB3 0.19 0.15 -0.06 -0.04 1.64 1.89 1fpmB1 LEU 308 HG 0.16 -0.05 -0.17 -0.04 1.64 1.54 1fpmB1 LEU 308 HD13 -0.22 -0.01 -0.06 -0.04 0.93 0.59 1fpmB1 LEU 308 HD23 0.20 0.05 -0.01 -0.04 0.89 1.09 1fpmB1 GLY 309 H 0.07 0.28 0.07 -0.55 8.43 8.31 1fpmB1 GLY 309 HA2 0.01 0.13 0.40 -0.51 4.01 4.03 1fpmB1 GLY 309 HA3 -0.04 0.39 0.34 -0.51 4.01 4.18 1fpmB1 ALA 310 H -0.10 0.16 0.00 -0.55 8.40 7.92 1fpmB1 ALA 310 HA -0.51 0.04 0.38 -0.75 4.34 3.50 1fpmB1 ALA 310 HB3 -0.21 0.15 0.16 -0.04 1.41 1.47 1fpmB1 GLU 311 H -0.03 0.31 -0.34 -0.55 8.60 7.99 1fpmB1 GLU 311 HA 0.05 0.07 0.32 -0.75 4.29 3.98 1fpmB1 GLU 311 HB2 0.31 -0.02 0.07 -0.04 2.09 2.42 1fpmB1 GLU 311 HB3 0.10 0.13 -0.03 -0.04 1.99 2.16 1fpmB1 GLU 311 HG2 0.07 0.07 0.08 -0.04 2.34 2.52 1fpmB1 GLU 311 HG3 0.11 0.03 0.02 -0.04 2.34 2.46 1fpmB1 LYS 312 H 0.04 0.62 -0.26 -0.55 8.42 8.27 1fpmB1 LYS 312 HA 0.11 -0.04 0.36 -0.75 4.32 4.01 1fpmB1 LYS 312 HB2 0.08 0.24 0.18 -0.04 1.87 2.33 1fpmB1 LYS 312 HB3 0.13 -0.24 0.03 -0.04 1.79 1.68 1fpmB1 LYS 312 HG2 0.14 -0.12 0.03 -0.04 1.46 1.46 1fpmB1 LYS 312 HG3 0.12 0.19 0.12 -0.04 1.46 1.85 1fpmB1 LYS 312 HD2 0.13 0.11 -0.23 -0.04 1.69 1.65 1fpmB1 LYS 312 HD3 0.15 -0.20 -0.41 -0.04 1.68 1.17 1fpmB1 LYS 312 HE2 0.15 -0.30 -0.16 -0.04 2.99 2.63 1fpmB1 LYS 312 HE3 0.16 -0.04 0.01 -0.04 2.99 3.08 1fpmB1 PHE 313 H -0.01 0.75 -0.11 -0.55 8.34 8.41 1fpmB1 PHE 313 HA -0.10 -0.13 0.46 -0.75 4.62 4.10 1fpmB1 PHE 313 HB2 -0.23 -0.03 0.08 -0.04 3.15 2.93 1fpmB1 PHE 313 HB3 -0.56 0.24 0.20 -0.04 3.06 2.90 1fpmB1 PHE 313 HD2 -0.16 0.06 -0.38 -0.04 7.28 6.76 1fpmB1 PHE 313 HE2 0.06 0.02 -0.09 -0.04 7.38 7.33 1fpmB1 PHE 313 HZ 0.10 -0.01 -0.05 -0.04 7.32 7.33 1fpmB1 TYR 314 H -0.09 0.59 -0.26 -0.55 8.29 7.98 1fpmB1 TYR 314 HA 0.27 0.02 0.48 -0.75 4.56 4.58 1fpmB1 TYR 314 HB2 -0.20 0.18 0.16 -0.04 3.06 3.16 1fpmB1 TYR 314 HB3 0.13 -0.03 0.04 -0.04 2.98 3.08 1fpmB1 TYR 314 HD2 -0.81 -0.08 -0.11 -0.04 7.15 6.11 1fpmB1 TYR 314 HE2 -0.33 -0.02 -0.07 -0.04 6.85 6.38 1fpmB1 ASP 315 H 0.11 0.31 -0.13 -0.55 8.40 8.14 1fpmB1 ASP 315 HA -0.00 0.21 0.94 -0.75 4.63 5.02 1fpmB1 ASP 315 HB2 0.20 0.03 0.02 -0.04 2.71 2.91 1fpmB1 ASP 315 HB3 -0.10 -0.09 0.07 -0.04 2.70 2.55 1fpmB1 VAL 316 H -0.14 0.48 -0.05 -0.55 8.24 7.97 1fpmB1 VAL 316 HA -0.50 0.15 0.88 -0.75 4.13 3.91 1fpmB1 VAL 316 HB -0.19 0.05 0.17 -0.04 2.12 2.11 1fpmB1 VAL 316 HG13 -0.41 -0.03 -0.15 -0.04 0.97 0.34 1fpmB1 VAL 316 HG23 0.00 -0.03 -0.08 -0.04 0.95 0.80 1fpmB1 LYS 317 H -0.38 0.23 0.13 -0.55 8.42 7.85 1fpmB1 LYS 317 HA -0.53 0.03 0.39 -0.75 4.32 3.47 1fpmB1 LYS 317 HB2 -0.38 -0.04 0.18 -0.04 1.87 1.59 1fpmB1 LYS 317 HB3 -0.92 0.08 0.29 -0.04 1.79 1.20 1fpmB1 LYS 317 HG2 -0.89 -0.02 -0.12 -0.04 1.46 0.39 1fpmB1 LYS 317 HG3 -0.40 0.01 0.00 -0.04 1.46 1.03 1fpmB1 LYS 317 HD2 -0.19 -0.02 -0.03 -0.04 1.69 1.40 1fpmB1 LYS 317 HD3 -0.81 0.01 -0.02 -0.04 1.68 0.82 1fpmB1 LYS 317 HE2 -0.03 -0.07 -0.09 -0.04 2.99 2.76 1fpmB1 LYS 317 HE3 -0.08 0.14 -0.22 -0.04 2.99 2.80 1fpmB1 CYS 318 H -0.75 0.50 0.08 -0.55 8.50 7.79 1fpmB1 CYS 318 HA -0.72 -0.16 0.24 -0.75 4.58 3.19 1fpmB1 CYS 318 HB2 -0.20 0.11 0.05 -0.04 2.97 2.89 1fpmB1 CYS 318 HB3 -0.62 0.17 -0.14 -0.04 2.97 2.34 1fpmB1 ARG 319 H -0.26 0.01 -0.88 -0.55 8.46 6.77 1fpmB1 ARG 319 HA 0.03 0.05 0.27 -0.75 4.34 3.93 1fpmB1 ARG 319 HB2 -0.19 -0.04 -0.38 -0.04 1.90 1.25 1fpmB1 ARG 319 HB3 -0.39 -0.01 0.00 -0.04 1.80 1.36 1fpmB1 ARG 319 HG2 0.10 -0.04 -0.06 -0.04 1.67 1.63 1fpmB1 ARG 319 HG3 -0.00 -0.04 0.03 -0.04 1.67 1.62 1fpmB1 ARG 319 HD2 -0.01 0.46 0.15 -0.04 3.22 3.79 1fpmB1 ARG 319 HD3 0.34 -0.07 0.02 -0.04 3.22 3.47 1fpmB1 TYR 320 H -0.46 0.40 0.02 -0.55 8.29 7.70 1fpmB1 TYR 320 HA -0.06 0.01 0.40 -0.75 4.56 4.16 1fpmB1 TYR 320 HB2 -0.16 -0.02 0.08 -0.04 3.06 2.92 1fpmB1 TYR 320 HB3 -0.09 -0.09 0.04 -0.04 2.98 2.80 1fpmB1 TYR 320 HD2 -0.09 -0.05 -0.01 -0.04 7.15 6.96 1fpmB1 TYR 320 HE2 -0.06 -0.06 0.02 -0.04 6.85 6.71 1fpmB1 ALA 321 H -0.25 0.54 -0.10 -0.55 8.40 8.04 1fpmB1 ALA 321 HA -0.01 0.04 0.49 -0.75 4.34 4.10 1fpmB1 ALA 321 HB3 -0.47 -0.04 -0.06 -0.04 1.41 0.80 1fpmB1 GLY 322 H -0.07 0.43 -0.49 -0.55 8.43 7.76 1fpmB1 GLY 322 HA2 0.05 0.11 0.33 -0.51 4.01 3.99 1fpmB1 GLY 322 HA3 0.10 -0.06 0.36 -0.51 4.01 3.90 1fpmB1 PHE 323 H -0.06 0.01 -0.07 -0.55 8.34 7.66 1fpmB1 PHE 323 HA -0.09 0.15 0.52 -0.75 4.62 4.44 1fpmB1 PHE 323 HB2 -0.29 -0.06 -0.01 -0.04 3.15 2.75 1fpmB1 PHE 323 HB3 -0.11 -0.08 0.06 -0.04 3.06 2.90 1fpmB1 PHE 323 HD2 -0.09 0.03 -0.38 -0.04 7.28 6.80 1fpmB1 PHE 323 HE2 -0.08 0.06 -0.09 -0.04 7.38 7.22 1fpmB1 PHE 323 HZ -0.11 -0.16 -0.10 -0.04 7.32 6.91 1fpmB1 LYS 324 H 0.01 0.06 0.00 -0.55 8.42 7.94 1fpmB1 LYS 324 HA -0.42 0.15 0.51 -0.75 4.32 3.81 1fpmB1 LYS 324 HB2 0.04 -0.03 0.09 -0.04 1.87 1.92 1fpmB1 LYS 324 HB3 0.12 -0.03 0.17 -0.04 1.79 2.01 1fpmB1 LYS 324 HG2 0.24 0.06 0.06 -0.04 1.46 1.78 1fpmB1 LYS 324 HG3 0.04 0.22 -0.66 -0.04 1.46 1.02 1fpmB1 LYS 324 HD2 0.07 -0.03 -0.03 -0.04 1.69 1.66 1fpmB1 LYS 324 HD3 0.11 -0.05 0.04 -0.04 1.68 1.74 1fpmB1 LYS 324 HE2 0.16 0.05 0.01 -0.04 2.99 3.16 1fpmB1 LYS 324 HE3 0.10 0.09 -0.06 -0.04 2.99 3.09 1fpmB1 PRO 325 HA 0.11 -0.07 0.41 -0.51 4.44 4.38 1fpmB1 PRO 325 HB2 0.20 0.08 0.11 -0.04 2.28 2.63 1fpmB1 PRO 325 HB3 0.17 0.11 0.22 -0.04 2.02 2.47 1fpmB1 PRO 325 HG2 0.58 0.04 -0.01 -0.04 2.03 2.60 1fpmB1 PRO 325 HG3 0.53 -0.05 0.06 -0.04 2.03 2.53 1fpmB1 PRO 325 HD2 -0.76 0.21 -0.04 -0.04 3.68 3.04 1fpmB1 PRO 325 HD3 -0.26 -0.01 -0.17 -0.04 3.65 3.17 1fpmB1 ASP 326 H 0.06 0.06 0.32 -0.55 8.40 8.29 1fpmB1 ASP 326 HA 0.05 0.08 0.52 -0.75 4.63 4.52 1fpmB1 ASP 326 HB2 0.05 -0.30 0.15 -0.04 2.71 2.57 1fpmB1 ASP 326 HB3 0.04 0.07 0.19 -0.04 2.70 2.97 1fpmB1 ALA 327 H 0.04 0.04 -0.34 -0.55 8.40 7.60 1fpmB1 ALA 327 HA 0.02 0.24 0.78 -0.75 4.34 4.63 1fpmB1 ALA 327 HB3 0.00 -0.07 -0.11 -0.04 1.41 1.20 1fpmB1 THR 328 H 0.01 0.12 -0.13 -0.55 8.28 7.72 1fpmB1 THR 328 HA -0.03 0.15 0.47 -0.75 4.39 4.22 1fpmB1 THR 328 HB 0.05 0.21 -0.09 -0.04 4.32 4.44 1fpmB1 THR 328 HG23 0.03 -0.01 -0.09 -0.04 1.22 1.11 1fpmB1 VAL 329 H -0.04 0.41 0.10 -0.55 8.24 8.16 1fpmB1 VAL 329 HA 0.00 0.20 0.85 -0.75 4.13 4.43 1fpmB1 VAL 329 HB -0.02 -0.09 -0.06 -0.04 2.12 1.90 1fpmB1 VAL 329 HG13 0.00 -0.02 -0.14 -0.04 0.97 0.77 1fpmB1 VAL 329 HG23 -0.01 0.00 -0.26 -0.04 0.95 0.64 1fpmB1 ILE 330 H 0.00 0.49 0.18 -0.55 8.25 8.37 1fpmB1 ILE 330 HA -0.04 0.03 0.60 -0.75 4.18 4.01 1fpmB1 ILE 330 HB 0.01 0.09 -0.15 -0.04 1.89 1.80 1fpmB1 ILE 330 HG12 -0.01 0.16 -0.25 -0.04 1.49 1.36 1fpmB1 ILE 330 HG13 -0.07 -0.13 -0.20 -0.04 1.21 0.76 1fpmB1 ILE 330 HG23 0.04 -0.00 0.01 -0.04 0.93 0.93 1fpmB1 ILE 330 HD13 0.06 -0.02 -0.05 -0.04 0.88 0.83 1fpmB1 VAL 331 H -0.04 0.51 0.21 -0.55 8.24 8.36 1fpmB1 VAL 331 HA 0.00 0.14 0.55 -0.75 4.13 4.07 1fpmB1 VAL 331 HB -0.03 -0.16 -0.01 -0.04 2.12 1.87 1fpmB1 VAL 331 HG13 0.00 -0.07 -0.13 -0.04 0.97 0.73 1fpmB1 VAL 331 HG23 -0.02 0.13 -0.00 -0.04 0.95 1.02 1fpmB1 ALA 332 H 0.01 0.11 0.16 -0.55 8.40 8.13 1fpmB1 ALA 332 HA -0.01 -0.12 0.42 -0.75 4.34 3.88 1fpmB1 ALA 332 HB3 0.02 0.11 0.20 -0.04 1.41 1.71 1fpmB1 THR 333 H -0.00 0.13 0.24 -0.55 8.28 8.10 1fpmB1 THR 333 HA 0.01 0.18 1.05 -0.75 4.39 4.88 1fpmB1 THR 333 HB -0.03 0.02 0.13 -0.04 4.32 4.40 1fpmB1 THR 333 HG23 -0.04 0.03 0.06 -0.04 1.22 1.22 1fpmB1 VAL 334 H -0.00 0.19 0.17 -0.55 8.24 8.05 1fpmB1 VAL 334 HA 0.02 0.21 0.52 -0.75 4.13 4.13 1fpmB1 VAL 334 HB 0.01 -0.14 0.24 -0.04 2.12 2.19 1fpmB1 VAL 334 HG13 0.00 0.03 -0.09 -0.04 0.97 0.87 1fpmB1 VAL 334 HG23 -0.02 0.05 0.05 -0.04 0.95 0.99 1fpmB1 ARG 335 H -0.03 0.14 0.07 -0.55 8.46 8.09 1fpmB1 ARG 335 HA -0.01 0.11 0.32 -0.75 4.34 4.00 1fpmB1 ARG 335 HB2 -0.16 -0.05 -0.00 -0.04 1.90 1.65 1fpmB1 ARG 335 HB3 -0.10 0.06 -0.01 -0.04 1.80 1.70 1fpmB1 ARG 335 HG2 -0.03 0.24 0.07 -0.04 1.67 1.91 1fpmB1 ARG 335 HG3 -0.03 -0.12 0.04 -0.04 1.67 1.51 1fpmB1 ARG 335 HD2 -0.42 -0.06 -0.05 -0.04 3.22 2.66 1fpmB1 ARG 335 HD3 -0.17 0.00 -0.05 -0.04 3.22 2.96 1fpmB1 ALA 336 H -0.03 -0.03 -0.78 -0.55 8.40 7.02 1fpmB1 ALA 336 HA 0.02 -0.00 0.42 -0.75 4.34 4.01 1fpmB1 ALA 336 HB3 0.00 0.05 0.03 -0.04 1.41 1.45 1fpmB1 LEU 337 H 0.04 0.47 0.05 -0.55 8.37 8.39 1fpmB1 LEU 337 HA 0.08 0.05 0.46 -0.75 4.35 4.18 1fpmB1 LEU 337 HB2 0.07 0.12 0.20 -0.04 1.64 1.99 1fpmB1 LEU 337 HB3 0.09 0.05 -0.10 -0.04 1.64 1.64 1fpmB1 LEU 337 HG -0.10 -0.05 0.09 -0.04 1.64 1.54 1fpmB1 LEU 337 HD13 0.01 0.04 0.11 -0.04 0.93 1.05 1fpmB1 LEU 337 HD23 0.10 0.00 0.09 -0.04 0.89 1.04 1fpmB1 LYS 338 H 0.06 0.29 -0.50 -0.55 8.42 7.71 1fpmB1 LYS 338 HA 0.06 0.07 0.19 -0.75 4.32 3.89 1fpmB1 LYS 338 HB2 0.02 -0.05 -0.09 -0.04 1.87 1.72 1fpmB1 LYS 338 HB3 0.02 0.10 -0.00 -0.04 1.79 1.87 1fpmB1 LYS 338 HG2 0.03 -0.07 -0.14 -0.04 1.46 1.23 1fpmB1 LYS 338 HG3 0.03 -0.06 -0.07 -0.04 1.46 1.32 1fpmB1 LYS 338 HD2 0.01 0.10 -0.04 -0.04 1.69 1.72 1fpmB1 LYS 338 HD3 0.01 -0.06 -0.05 -0.04 1.68 1.54 1fpmB1 LYS 338 HE2 0.01 -0.12 -0.05 -0.04 2.99 2.78 1fpmB1 LYS 338 HE3 0.00 -0.11 -0.07 -0.04 2.99 2.77 1fpmB1 MET 339 H 0.04 0.48 -0.06 -0.55 8.47 8.39 1fpmB1 MET 339 HA -0.00 0.16 0.43 -0.75 4.52 4.35 1fpmB1 MET 339 HB2 -0.01 0.11 0.12 -0.04 2.15 2.33 1fpmB1 MET 339 HB3 -0.06 -0.02 0.05 -0.04 2.03 1.97 1fpmB1 MET 339 HG2 -0.02 0.16 -0.00 -0.04 2.63 2.72 1fpmB1 MET 339 HG3 -0.01 0.26 0.17 -0.04 2.56 2.94 1fpmB1 MET 339 HE3 -0.03 0.05 -0.23 -0.04 2.10 1.84 1fpmB1 HIS 340 H 0.20 0.25 -0.58 -0.55 8.41 7.73 1fpmB1 HIS 340 HA 0.02 -0.01 0.43 -0.75 4.63 4.32 1fpmB1 HIS 340 HB2 0.03 0.27 0.17 -0.04 3.26 3.69 1fpmB1 HIS 340 HB3 0.04 -0.02 0.33 -0.04 3.20 3.50 1fpmB1 HIS 340 HD2 0.01 0.32 0.10 -0.04 6.97 7.35 1fpmB1 HIS 340 HE1 -0.05 0.09 0.09 -0.04 7.75 7.83 1fpmB1 GLY 341 H 0.07 0.51 -0.83 -0.55 8.43 7.64 1fpmB1 GLY 341 HA2 0.07 0.13 0.88 -0.51 4.01 4.58 1fpmB1 GLY 341 HA3 0.06 -0.02 0.42 -0.51 4.01 3.97 1fpmB1 GLY 342 H 0.01 0.81 0.08 -0.55 8.43 8.78 1fpmB1 GLY 342 HA2 -0.01 0.01 0.31 -0.51 4.01 3.82 1fpmB1 GLY 342 HA3 0.01 0.13 0.79 -0.51 4.01 4.43 1fpmB1 VAL 343 H 0.01 0.12 -0.17 -0.55 8.24 7.65 1fpmB1 VAL 343 HA 0.00 0.08 0.34 -0.75 4.13 3.79 1fpmB1 VAL 343 HB 0.01 -0.13 -0.55 -0.04 2.12 1.41 1fpmB1 VAL 343 HG13 -0.00 0.05 -0.29 -0.04 0.97 0.69 1fpmB1 VAL 343 HG23 0.02 -0.00 -0.17 -0.04 0.95 0.75 1fpmB1 PRO 344 HA -0.02 0.13 0.42 -0.51 4.44 4.46 1fpmB1 PRO 344 HB2 -0.01 -0.13 -0.05 -0.04 2.28 2.05 1fpmB1 PRO 344 HB3 -0.01 0.01 0.14 -0.04 2.02 2.11 1fpmB1 PRO 344 HG2 -0.01 0.02 0.06 -0.04 2.03 2.07 1fpmB1 PRO 344 HG3 -0.01 0.16 0.11 -0.04 2.03 2.25 1fpmB1 PRO 344 HD2 -0.01 0.02 0.14 -0.04 3.68 3.80 1fpmB1 PRO 344 HD3 -0.00 0.33 0.29 -0.04 3.65 4.22 1fpmB1 LYS 345 H -0.02 0.17 0.17 -0.55 8.42 8.18 1fpmB1 LYS 345 HA -0.03 0.18 0.54 -0.75 4.32 4.26 1fpmB1 LYS 345 HB2 -0.03 0.03 0.11 -0.04 1.87 1.95 1fpmB1 LYS 345 HB3 -0.02 -0.02 0.12 -0.04 1.79 1.83 1fpmB1 LYS 345 HG2 -0.03 -0.03 -0.07 -0.04 1.46 1.29 1fpmB1 LYS 345 HG3 -0.04 0.07 0.05 -0.04 1.46 1.50 1fpmB1 LYS 345 HD2 -0.02 -0.03 0.06 -0.04 1.69 1.65 1fpmB1 LYS 345 HD3 -0.02 -0.03 0.02 -0.04 1.68 1.61 1fpmB1 LYS 345 HE2 -0.02 -0.06 0.04 -0.04 2.99 2.91 1fpmB1 LYS 345 HE3 -0.03 0.35 0.14 -0.04 2.99 3.41 1fpmB1 SER 346 H -0.01 0.10 -0.03 -0.55 8.46 7.97 1fpmB1 SER 346 HA -0.01 0.17 0.60 -0.75 4.49 4.49 1fpmB1 SER 346 HB2 -0.01 0.03 0.04 -0.04 3.95 3.97 1fpmB1 SER 346 HB3 -0.00 0.05 0.17 -0.04 3.93 4.10 1fpmB1 ASP 347 H -0.01 0.21 -1.01 -0.55 8.40 7.04 1fpmB1 ASP 347 HA -0.00 0.18 0.78 -0.75 4.63 4.83 1fpmB1 ASP 347 HB2 -0.01 0.02 -0.05 -0.04 2.71 2.64 1fpmB1 ASP 347 HB3 -0.00 0.02 0.12 -0.04 2.70 2.79 1fpmB1 LEU 348 H -0.01 0.24 -0.16 -0.55 8.37 7.89 1fpmB1 LEU 348 HA -0.01 0.15 0.56 -0.75 4.35 4.30 1fpmB1 LEU 348 HB2 -0.04 0.05 0.09 -0.04 1.64 1.70 1fpmB1 LEU 348 HB3 -0.06 -0.10 0.04 -0.04 1.64 1.48 1fpmB1 LEU 348 HG -0.03 0.15 0.10 -0.04 1.64 1.82 1fpmB1 LEU 348 HD13 -0.08 -0.01 0.02 -0.04 0.93 0.81 1fpmB1 LEU 348 HD23 -0.03 -0.05 0.00 -0.04 0.89 0.77 1fpmB1 ALA 349 H 0.01 0.05 -0.20 -0.55 8.40 7.70 1fpmB1 ALA 349 HA 0.05 0.01 0.32 -0.75 4.34 3.96 1fpmB1 ALA 349 HB3 0.02 0.01 0.01 -0.04 1.41 1.41 1fpmB1 THR 350 H 0.01 0.09 -0.48 -0.55 8.28 7.35 1fpmB1 THR 350 HA 0.01 0.13 0.75 -0.75 4.39 4.53 1fpmB1 THR 350 HB 0.01 0.08 -0.03 -0.04 4.32 4.33 1fpmB1 THR 350 HG23 0.00 0.07 0.10 -0.04 1.22 1.36 1fpmB1 GLU 351 H 0.01 0.08 0.17 -0.55 8.60 8.31 1fpmB1 GLU 351 HA 0.01 0.14 0.65 -0.75 4.29 4.33 1fpmB1 GLU 351 HB2 0.00 0.04 0.10 -0.04 2.09 2.19 1fpmB1 GLU 351 HB3 0.00 0.02 0.13 -0.04 1.99 2.10 1fpmB1 GLU 351 HG2 -0.00 -0.02 -0.24 -0.04 2.34 2.04 1fpmB1 GLU 351 HG3 -0.00 -0.05 -0.02 -0.04 2.34 2.23 1fpmB1 ASN 352 H 0.00 0.17 -0.01 -0.55 8.53 8.15 1fpmB1 ASN 352 HA 0.01 0.09 0.49 -0.75 4.76 4.59 1fpmB1 ASN 352 HB2 0.01 0.30 -0.08 -0.04 2.88 3.06 1fpmB1 ASN 352 HB3 0.01 0.01 0.04 -0.04 2.79 2.82 1fpmB1 ASN 352 HD21 0.01 0.05 0.03 -0.04 7.03 7.07 1fpmB1 ASN 352 HD22 0.01 0.14 0.03 -0.04 7.74 7.88 1fpmB1 LEU 353 H 0.00 0.25 0.09 -0.55 8.37 8.16 1fpmB1 LEU 353 HA -0.00 0.15 0.54 -0.75 4.35 4.29 1fpmB1 LEU 353 HB2 -0.00 0.04 0.04 -0.04 1.64 1.68 1fpmB1 LEU 353 HB3 -0.01 0.12 0.11 -0.04 1.64 1.82 1fpmB1 LEU 353 HG -0.01 -0.00 -0.17 -0.04 1.64 1.42 1fpmB1 LEU 353 HD13 -0.00 -0.06 -0.03 -0.04 0.93 0.79 1fpmB1 LEU 353 HD23 -0.01 0.02 -0.07 -0.04 0.89 0.78 1fpmB1 GLU 354 H 0.01 -0.03 -0.34 -0.55 8.60 7.70 1fpmB1 GLU 354 HA 0.01 0.28 0.82 -0.75 4.29 4.65 1fpmB1 GLU 354 HB2 0.01 -0.01 0.06 -0.04 2.09 2.12 1fpmB1 GLU 354 HB3 0.02 0.10 0.04 -0.04 1.99 2.10 1fpmB1 GLU 354 HG2 0.01 -0.17 -0.06 -0.04 2.34 2.08 1fpmB1 GLU 354 HG3 0.01 0.07 -0.00 -0.04 2.34 2.37 1fpmB1 ALA 355 H 0.02 0.03 0.01 -0.55 8.40 7.91 1fpmB1 ALA 355 HA 0.04 0.17 0.53 -0.75 4.34 4.32 1fpmB1 ALA 355 HB3 0.03 0.03 0.04 -0.04 1.41 1.47 1fpmB1 LEU 356 H 0.03 0.23 -0.13 -0.55 8.37 7.96 1fpmB1 LEU 356 HA 0.06 0.03 0.20 -0.75 4.35 3.88 1fpmB1 LEU 356 HB2 0.02 0.17 0.16 -0.04 1.64 1.95 1fpmB1 LEU 356 HB3 0.02 -0.03 -0.02 -0.04 1.64 1.57 1fpmB1 LEU 356 HG 0.00 -0.07 -0.02 -0.04 1.64 1.51 1fpmB1 LEU 356 HD13 0.03 0.02 -0.13 -0.04 0.93 0.80 1fpmB1 LEU 356 HD23 0.04 -0.02 -0.06 -0.04 0.89 0.80 1fpmB1 ARG 357 H 0.04 -0.09 -1.06 -0.55 8.46 6.79 1fpmB1 ARG 357 HA 0.04 0.07 0.32 -0.75 4.34 4.02 1fpmB1 ARG 357 HB2 0.00 0.13 0.13 -0.04 1.90 2.13 1fpmB1 ARG 357 HB3 0.03 0.22 0.26 -0.04 1.80 2.27 1fpmB1 ARG 357 HG2 0.05 -0.01 -0.09 -0.04 1.67 1.58 1fpmB1 ARG 357 HG3 0.01 0.01 -0.07 -0.04 1.67 1.59 1fpmB1 ARG 357 HD2 0.01 -0.04 0.08 -0.04 3.22 3.22 1fpmB1 ARG 357 HD3 0.01 -0.01 0.01 -0.04 3.22 3.19 1fpmB1 GLU 358 H 0.07 0.41 0.13 -0.55 8.60 8.66 1fpmB1 GLU 358 HA 0.10 0.02 0.36 -0.75 4.29 4.01 1fpmB1 GLU 358 HB2 0.07 -0.04 0.25 -0.04 2.09 2.32 1fpmB1 GLU 358 HB3 0.07 0.02 0.08 -0.04 1.99 2.12 1fpmB1 GLU 358 HG2 0.05 0.09 0.17 -0.04 2.34 2.61 1fpmB1 GLU 358 HG3 0.04 -0.01 0.08 -0.04 2.34 2.41 1fpmB1 GLY 359 H 0.10 0.33 -0.12 -0.55 8.43 8.19 1fpmB1 GLY 359 HA2 0.15 0.09 0.11 -0.51 4.01 3.85 1fpmB1 GLY 359 HA3 0.14 0.36 0.15 -0.51 4.01 4.15 1fpmB1 PHE 360 H 0.22 0.46 -0.64 -0.55 8.34 7.83 1fpmB1 PHE 360 HA 0.00 -0.17 0.41 -0.75 4.62 4.11 1fpmB1 PHE 360 HB2 0.02 0.01 0.20 -0.04 3.15 3.34 1fpmB1 PHE 360 HB3 0.02 0.48 0.23 -0.04 3.06 3.75 1fpmB1 PHE 360 HD2 0.02 -0.01 -0.08 -0.04 7.28 7.17 1fpmB1 PHE 360 HE2 0.02 0.03 -0.13 -0.04 7.38 7.27 1fpmB1 PHE 360 HZ 0.03 0.10 -0.24 -0.04 7.32 7.16 1fpmB1 ALA 361 H 0.09 1.06 -0.12 -0.55 8.40 8.88 1fpmB1 ALA 361 HA -0.14 -0.02 0.31 -0.75 4.34 3.73 1fpmB1 ALA 361 HB3 0.02 -0.02 0.09 -0.04 1.41 1.46 1fpmB1 ASN 362 H -0.15 0.67 -0.38 -0.55 8.53 8.12 1fpmB1 ASN 362 HA -0.03 0.13 0.40 -0.75 4.76 4.50 1fpmB1 ASN 362 HB2 -0.46 0.06 0.24 -0.04 2.88 2.68 1fpmB1 ASN 362 HB3 -0.38 -0.13 0.22 -0.04 2.79 2.46 1fpmB1 ASN 362 HD21 -0.17 -0.09 0.08 -0.04 7.03 6.81 1fpmB1 ASN 362 HD22 0.04 0.37 0.17 -0.04 7.74 8.28 1fpmB1 LEU 363 H -0.29 0.20 0.13 -0.55 8.37 7.87 1fpmB1 LEU 363 HA 0.06 -0.06 0.42 -0.75 4.35 4.02 1fpmB1 LEU 363 HB2 -0.10 -0.13 0.18 -0.04 1.64 1.55 1fpmB1 LEU 363 HB3 -0.63 0.18 0.19 -0.04 1.64 1.34 1fpmB1 LEU 363 HG -0.02 0.07 -0.19 -0.04 1.64 1.46 1fpmB1 LEU 363 HD13 0.04 -0.02 0.04 -0.04 0.93 0.95 1fpmB1 LEU 363 HD23 0.21 -0.02 -0.03 -0.04 0.89 1.00 1fpmB1 GLU 364 H -0.82 0.44 -0.29 -0.55 8.60 7.38 1fpmB1 GLU 364 HA -0.17 0.03 0.36 -0.75 4.29 3.75 1fpmB1 GLU 364 HB2 -0.45 -0.01 -0.05 -0.04 2.09 1.54 1fpmB1 GLU 364 HB3 -0.35 0.02 0.02 -0.04 1.99 1.63 1fpmB1 GLU 364 HG2 -0.04 0.03 -0.21 -0.04 2.34 2.08 1fpmB1 GLU 364 HG3 0.02 -0.01 -0.03 -0.04 2.34 2.28 1fpmB1 LYS 365 H -0.24 0.64 -0.07 -0.55 8.42 8.20 1fpmB1 LYS 365 HA -0.16 0.01 0.47 -0.75 4.32 3.88 1fpmB1 LYS 365 HB2 -0.31 -0.03 0.19 -0.04 1.87 1.67 1fpmB1 LYS 365 HB3 -0.35 0.05 0.31 -0.04 1.79 1.76 1fpmB1 LYS 365 HG2 -1.43 -0.01 0.08 -0.04 1.46 0.06 1fpmB1 LYS 365 HG3 -0.68 -0.04 -0.14 -0.04 1.46 0.55 1fpmB1 LYS 365 HD2 -0.22 -0.10 0.12 -0.04 1.69 1.45 1fpmB1 LYS 365 HD3 -0.32 -0.06 0.06 -0.04 1.68 1.32 1fpmB1 LYS 365 HE2 -0.40 0.16 -0.03 -0.04 2.99 2.69 1fpmB1 LYS 365 HE3 -0.25 0.04 0.06 -0.04 2.99 2.79 1fpmB1 HIS 366 H -0.21 0.50 -0.02 -0.55 8.41 8.14 1fpmB1 HIS 366 HA 0.13 0.01 0.33 -0.75 4.63 4.35 1fpmB1 HIS 366 HB2 0.02 0.11 0.15 -0.04 3.26 3.50 1fpmB1 HIS 366 HB3 0.07 -0.05 -0.01 -0.04 3.20 3.16 1fpmB1 HIS 366 HD2 -0.03 -0.09 -0.17 -0.04 6.97 6.65 1fpmB1 HIS 366 HE1 -0.15 -0.07 -0.01 -0.04 7.75 7.48 1fpmB1 ILE 367 H 0.09 0.49 -0.13 -0.55 8.25 8.15 1fpmB1 ILE 367 HA 0.08 -0.06 0.25 -0.75 4.18 3.70 1fpmB1 ILE 367 HB 0.03 0.16 0.10 -0.04 1.89 2.14 1fpmB1 ILE 367 HG12 0.00 0.67 0.26 -0.04 1.49 2.37 1fpmB1 ILE 367 HG13 0.06 -0.08 -0.07 -0.04 1.21 1.08 1fpmB1 ILE 367 HG23 0.06 -0.02 -0.20 -0.04 0.93 0.73 1fpmB1 ILE 367 HD13 0.07 -0.07 -0.05 -0.04 0.88 0.79 1fpmB1 GLU 368 H 0.02 0.43 -0.20 -0.55 8.60 8.30 1fpmB1 GLU 368 HA 0.03 -0.05 0.36 -0.75 4.29 3.87 1fpmB1 GLU 368 HB2 -0.02 0.15 0.17 -0.04 2.09 2.34 1fpmB1 GLU 368 HB3 -0.01 -0.09 0.05 -0.04 1.99 1.90 1fpmB1 GLU 368 HG2 0.01 -0.11 0.07 -0.04 2.34 2.27 1fpmB1 GLU 368 HG3 -0.03 0.53 0.23 -0.04 2.34 3.03 1fpmB1 ASN 369 H 0.06 0.48 -0.01 -0.55 8.53 8.51 1fpmB1 ASN 369 HA 0.04 -0.02 0.36 -0.75 4.76 4.39 1fpmB1 ASN 369 HB2 0.20 0.08 0.17 -0.04 2.88 3.29 1fpmB1 ASN 369 HB3 0.25 -0.11 -0.01 -0.04 2.79 2.88 1fpmB1 ASN 369 HD21 -0.02 0.32 0.36 -0.04 7.03 7.64 1fpmB1 ASN 369 HD22 0.03 -0.16 -0.05 -0.04 7.74 7.51 1fpmB1 ILE 370 H 0.17 0.52 -0.20 -0.55 8.25 8.19 1fpmB1 ILE 370 HA 0.33 -0.07 0.29 -0.75 4.18 3.97 1fpmB1 ILE 370 HB 0.11 0.26 0.17 -0.04 1.89 2.39 1fpmB1 ILE 370 HG12 0.14 -0.05 -0.06 -0.04 1.49 1.47 1fpmB1 ILE 370 HG13 0.16 0.04 -0.12 -0.04 1.21 1.24 1fpmB1 ILE 370 HG23 0.09 -0.01 -0.18 -0.04 0.93 0.79 1fpmB1 ILE 370 HD13 0.07 -0.05 -0.16 -0.04 0.88 0.70 1fpmB1 GLY 371 H 0.08 0.39 -0.04 -0.55 8.43 8.31 1fpmB1 GLY 371 HA2 0.04 0.13 0.32 -0.51 4.01 3.99 1fpmB1 GLY 371 HA3 0.04 -0.02 0.30 -0.51 4.01 3.82 1fpmB1 LYS 372 H 0.03 0.45 -0.51 -0.55 8.42 7.83 1fpmB1 LYS 372 HA -0.04 -0.06 0.36 -0.75 4.32 3.83 1fpmB1 LYS 372 HB2 -0.33 0.24 0.13 -0.04 1.87 1.86 1fpmB1 LYS 372 HB3 -0.26 -0.13 0.10 -0.04 1.79 1.46 1fpmB1 LYS 372 HG2 -0.07 -0.12 0.01 -0.04 1.46 1.24 1fpmB1 LYS 372 HG3 -0.04 0.30 0.04 -0.04 1.46 1.73 1fpmB1 LYS 372 HD2 -0.11 0.01 -0.02 -0.04 1.69 1.53 1fpmB1 LYS 372 HD3 -0.12 -0.10 0.00 -0.04 1.68 1.42 1fpmB1 LYS 372 HE2 -0.05 -0.09 -0.05 -0.04 2.99 2.76 1fpmB1 LYS 372 HE3 -0.04 0.00 -0.18 -0.04 2.99 2.73 1fpmB1 PHE 373 H 0.13 0.72 -0.19 -0.55 8.34 8.44 1fpmB1 PHE 373 HA -0.17 0.15 0.71 -0.75 4.62 4.56 1fpmB1 PHE 373 HB2 -0.54 0.10 0.04 -0.04 3.15 2.71 1fpmB1 PHE 373 HB3 -0.62 -0.05 0.14 -0.04 3.06 2.50 1fpmB1 PHE 373 HD2 -0.12 0.21 0.11 -0.04 7.28 7.44 1fpmB1 PHE 373 HE2 0.18 -0.09 -0.09 -0.04 7.38 7.34 1fpmB1 PHE 373 HZ 0.20 -0.09 -0.02 -0.04 7.32 7.37 1fpmB1 GLY 374 H -0.06 0.48 -0.29 -0.55 8.43 8.00 1fpmB1 GLY 374 HA2 -0.07 -0.03 0.28 -0.51 4.01 3.68 1fpmB1 GLY 374 HA3 -0.62 0.19 0.49 -0.51 4.01 3.57 1fpmB1 VAL 375 H -0.04 0.27 -0.03 -0.55 8.24 7.89 1fpmB1 VAL 375 HA 0.01 0.09 0.53 -0.75 4.13 4.00 1fpmB1 VAL 375 HB 0.05 0.19 -0.12 -0.04 2.12 2.20 1fpmB1 VAL 375 HG13 -0.10 0.01 -0.55 -0.04 0.97 0.28 1fpmB1 VAL 375 HG23 0.02 -0.05 -0.33 -0.04 0.95 0.55 1fpmB1 PRO 376 HA 0.02 -0.03 0.39 -0.51 4.44 4.31 1fpmB1 PRO 376 HB2 0.02 -0.12 0.12 -0.04 2.28 2.26 1fpmB1 PRO 376 HB3 0.02 -0.02 0.24 -0.04 2.02 2.21 1fpmB1 PRO 376 HG2 0.02 0.27 0.33 -0.04 2.03 2.62 1fpmB1 PRO 376 HG3 0.02 -0.10 0.08 -0.04 2.03 1.99 1fpmB1 PRO 376 HD2 0.03 0.44 0.20 -0.04 3.68 4.30 1fpmB1 PRO 376 HD3 0.02 -0.02 0.14 -0.04 3.65 3.75 1fpmB1 ALA 377 H 0.02 0.24 0.29 -0.55 8.40 8.41 1fpmB1 ALA 377 HA 0.03 0.43 0.65 -0.75 4.34 4.69 1fpmB1 ALA 377 HB3 0.05 -0.00 -0.07 -0.04 1.41 1.35 1fpmB1 VAL 378 H 0.03 0.25 0.17 -0.55 8.24 8.13 1fpmB1 VAL 378 HA 0.03 0.15 0.50 -0.75 4.13 4.06 1fpmB1 VAL 378 HB 0.01 -0.08 -0.11 -0.04 2.12 1.90 1fpmB1 VAL 378 HG13 0.02 -0.02 -0.29 -0.04 0.97 0.63 1fpmB1 VAL 378 HG23 0.01 -0.01 -0.18 -0.04 0.95 0.73 1fpmB1 VAL 379 H 0.05 0.99 0.28 -0.55 8.24 9.01 1fpmB1 VAL 379 HA 0.05 0.16 0.67 -0.75 4.13 4.26 1fpmB1 VAL 379 HB 0.08 -0.13 0.28 -0.04 2.12 2.31 1fpmB1 VAL 379 HG13 0.10 -0.02 -0.21 -0.04 0.97 0.80 1fpmB1 VAL 379 HG23 0.10 0.05 0.05 -0.04 0.95 1.10 1fpmB1 ALA 380 H 0.04 0.69 0.35 -0.55 8.40 8.93 1fpmB1 ALA 380 HA 0.04 0.24 0.85 -0.75 4.34 4.71 1fpmB1 ALA 380 HB3 0.02 -0.04 -0.12 -0.04 1.41 1.23 1fpmB1 ILE 381 H 0.06 0.31 0.26 -0.55 8.25 8.34 1fpmB1 ILE 381 HA 0.05 0.56 1.28 -0.75 4.18 5.32 1fpmB1 ILE 381 HB 0.10 -0.15 0.04 -0.04 1.89 1.84 1fpmB1 ILE 381 HG12 0.11 0.04 -0.45 -0.04 1.49 1.15 1fpmB1 ILE 381 HG13 0.13 -0.03 -0.23 -0.04 1.21 1.04 1fpmB1 ILE 381 HG23 0.03 0.02 -0.08 -0.04 0.93 0.86 1fpmB1 ILE 381 HD13 0.09 0.09 -0.24 -0.04 0.88 0.78 1fpmB1 ASN 382 H 0.03 0.48 0.37 -0.55 8.53 8.86 1fpmB1 ASN 382 HA 0.05 0.12 0.66 -0.75 4.76 4.83 1fpmB1 ASN 382 HB2 0.01 0.05 0.04 -0.04 2.88 2.93 1fpmB1 ASN 382 HB3 -0.00 -0.14 0.07 -0.04 2.79 2.68 1fpmB1 ASN 382 HD21 -0.05 -0.06 -0.07 -0.04 7.03 6.82 1fpmB1 ASN 382 HD22 -0.05 0.10 -0.10 -0.04 7.74 7.64 1fpmB1 ALA 383 H 0.06 0.18 0.29 -0.55 8.40 8.38 1fpmB1 ALA 383 HA 0.04 0.15 0.88 -0.75 4.34 4.65 1fpmB1 ALA 383 HB3 0.05 -0.01 0.02 -0.04 1.41 1.44 1fpmB1 PHE 384 H 0.07 0.25 0.21 -0.55 8.34 8.32 1fpmB1 PHE 384 HA -0.18 0.27 0.91 -0.75 4.62 4.87 1fpmB1 PHE 384 HB2 -0.12 0.02 -0.17 -0.04 3.15 2.84 1fpmB1 PHE 384 HB3 -0.09 -0.12 0.08 -0.04 3.06 2.89 1fpmB1 PHE 384 HD2 -0.21 -0.05 -0.01 -0.04 7.28 6.97 1fpmB1 PHE 384 HE2 -0.21 0.03 -0.00 -0.04 7.38 7.16 1fpmB1 PHE 384 HZ -0.12 0.04 0.01 -0.04 7.32 7.21 1fpmB1 PRO 385 HA -0.21 0.08 0.33 -0.51 4.44 4.12 1fpmB1 PRO 385 HB2 -0.56 0.04 0.02 -0.04 2.28 1.73 1fpmB1 PRO 385 HB3 -0.27 0.07 0.11 -0.04 2.02 1.89 1fpmB1 PRO 385 HG2 -0.63 0.07 0.09 -0.04 2.03 1.51 1fpmB1 PRO 385 HG3 -0.36 0.06 0.09 -0.04 2.03 1.78 1fpmB1 PRO 385 HD2 -2.91 0.12 0.20 -0.04 3.68 1.04 1fpmB1 PRO 385 HD3 -0.77 0.17 0.22 -0.04 3.65 3.23 1fpmB1 THR 386 H -0.02 -0.05 -0.68 -0.55 8.28 6.98 1fpmB1 THR 386 HA -0.01 0.24 0.98 -0.75 4.39 4.85 1fpmB1 THR 386 HB 0.07 0.17 0.15 -0.04 4.32 4.67 1fpmB1 THR 386 HG23 0.06 -0.01 -0.09 -0.04 1.22 1.14 1fpmB1 ASP 387 H 0.06 0.63 0.09 -0.55 8.40 8.62 1fpmB1 ASP 387 HA 0.02 0.07 0.61 -0.75 4.63 4.58 1fpmB1 ASP 387 HB2 0.02 0.02 0.32 -0.04 2.71 3.04 1fpmB1 ASP 387 HB3 -0.02 0.04 0.23 -0.04 2.70 2.91 1fpmB1 THR 388 H -0.01 0.58 -0.19 -0.55 8.28 8.11 1fpmB1 THR 388 HA -0.02 0.12 0.18 -0.75 4.39 3.91 1fpmB1 THR 388 HB -0.02 -0.11 0.17 -0.04 4.32 4.33 1fpmB1 THR 388 HG23 -0.01 0.11 0.08 -0.04 1.22 1.36 1fpmB1 GLU 389 H -0.02 0.17 0.14 -0.55 8.60 8.34 1fpmB1 GLU 389 HA -0.04 0.12 0.42 -0.75 4.29 4.04 1fpmB1 GLU 389 HB2 -0.01 -0.06 0.15 -0.04 2.09 2.13 1fpmB1 GLU 389 HB3 -0.00 0.08 0.05 -0.04 1.99 2.08 1fpmB1 GLU 389 HG2 -0.01 -0.05 0.14 -0.04 2.34 2.38 1fpmB1 GLU 389 HG3 -0.00 0.07 0.06 -0.04 2.34 2.43 1fpmB1 ALA 390 H -0.02 0.10 -0.03 -0.55 8.40 7.91 1fpmB1 ALA 390 HA -0.01 0.11 0.32 -0.75 4.34 4.00 1fpmB1 ALA 390 HB3 -0.01 0.01 0.04 -0.04 1.41 1.40 1fpmB1 GLU 391 H -0.03 0.03 -0.41 -0.55 8.60 7.64 1fpmB1 GLU 391 HA -0.03 0.01 0.29 -0.75 4.29 3.80 1fpmB1 GLU 391 HB2 -0.04 0.21 -0.09 -0.04 2.09 2.12 1fpmB1 GLU 391 HB3 -0.03 -0.01 -0.05 -0.04 1.99 1.85 1fpmB1 GLU 391 HG2 -0.01 -0.10 -0.03 -0.04 2.34 2.15 1fpmB1 GLU 391 HG3 -0.01 -0.06 -0.00 -0.04 2.34 2.22 1fpmB1 LEU 392 H -0.12 0.56 -0.13 -0.55 8.37 8.13 1fpmB1 LEU 392 HA -0.29 -0.02 0.43 -0.75 4.35 3.72 1fpmB1 LEU 392 HB2 -0.27 0.05 0.20 -0.04 1.64 1.57 1fpmB1 LEU 392 HB3 -0.87 -0.04 0.01 -0.04 1.64 0.70 1fpmB1 LEU 392 HG -0.13 0.43 0.08 -0.04 1.64 1.98 1fpmB1 LEU 392 HD13 -0.11 -0.05 -0.03 -0.04 0.93 0.70 1fpmB1 LEU 392 HD23 -0.19 -0.06 0.04 -0.04 0.89 0.65 1fpmB1 ASN 393 H -0.11 0.57 0.03 -0.55 8.53 8.46 1fpmB1 ASN 393 HA 0.25 0.01 0.34 -0.75 4.76 4.60 1fpmB1 ASN 393 HB2 0.01 0.07 0.01 -0.04 2.88 2.94 1fpmB1 ASN 393 HB3 0.07 -0.00 0.09 -0.04 2.79 2.91 1fpmB1 ASN 393 HD21 0.02 -0.15 -0.07 -0.04 7.03 6.79 1fpmB1 ASN 393 HD22 -0.01 0.05 -0.30 -0.04 7.74 7.44 1fpmB1 LEU 394 H -0.06 0.21 -0.93 -0.55 8.37 7.04 1fpmB1 LEU 394 HA -0.03 0.10 0.62 -0.75 4.35 4.29 1fpmB1 LEU 394 HB2 -0.03 -0.00 0.06 -0.04 1.64 1.63 1fpmB1 LEU 394 HB3 -0.05 0.22 0.19 -0.04 1.64 1.96 1fpmB1 LEU 394 HG -0.07 0.03 -0.27 -0.04 1.64 1.28 1fpmB1 LEU 394 HD13 -0.05 -0.01 0.03 -0.04 0.93 0.86 1fpmB1 LEU 394 HD23 -0.02 0.01 0.02 -0.04 0.89 0.86 1fpmB1 LEU 395 H -0.07 0.37 0.16 -0.55 8.37 8.29 1fpmB1 LEU 395 HA -0.11 0.07 0.40 -0.75 4.35 3.96 1fpmB1 LEU 395 HB2 0.01 -0.03 0.09 -0.04 1.64 1.67 1fpmB1 LEU 395 HB3 -0.05 0.02 0.15 -0.04 1.64 1.71 1fpmB1 LEU 395 HG 0.10 0.04 -0.26 -0.04 1.64 1.49 1fpmB1 LEU 395 HD13 0.26 0.01 -0.01 -0.04 0.93 1.15 1fpmB1 LEU 395 HD23 0.05 -0.02 -0.12 -0.04 0.89 0.76 1fpmB1 TYR 396 H 0.02 0.82 -0.05 -0.55 8.29 8.53 1fpmB1 TYR 396 HA 0.00 0.01 0.26 -0.75 4.56 4.08 1fpmB1 TYR 396 HB2 -0.02 -0.04 0.04 -0.04 3.06 3.00 1fpmB1 TYR 396 HB3 -0.01 0.04 -0.06 -0.04 2.98 2.91 1fpmB1 TYR 396 HD2 0.00 0.00 -0.09 -0.04 7.15 7.02 1fpmB1 TYR 396 HE2 0.01 -0.05 -0.07 -0.04 6.85 6.70 1fpmB1 GLU 397 H 0.11 0.26 -0.25 -0.55 8.60 8.17 1fpmB1 GLU 397 HA 0.01 0.06 0.36 -0.75 4.29 3.96 1fpmB1 GLU 397 HB2 -0.02 -0.03 0.04 -0.04 2.09 2.04 1fpmB1 GLU 397 HB3 0.02 -0.06 0.09 -0.04 1.99 2.00 1fpmB1 GLU 397 HG2 0.01 0.21 0.20 -0.04 2.34 2.72 1fpmB1 GLU 397 HG3 -0.05 0.03 -0.04 -0.04 2.34 2.25 1fpmB1 LEU 398 H -0.11 0.37 -0.40 -0.55 8.37 7.69 1fpmB1 LEU 398 HA -0.26 0.01 0.43 -0.75 4.35 3.77 1fpmB1 LEU 398 HB2 -0.42 0.05 0.21 -0.04 1.64 1.44 1fpmB1 LEU 398 HB3 -1.58 -0.03 -0.04 -0.04 1.64 -0.05 1fpmB1 LEU 398 HG -0.42 -0.09 -0.07 -0.04 1.64 1.02 1fpmB1 LEU 398 HD13 -0.41 -0.01 0.03 -0.04 0.93 0.50 1fpmB1 LEU 398 HD23 -0.15 0.07 0.00 -0.04 0.89 0.78 1fpmB1 CYS 399 H -0.03 0.48 -0.32 -0.55 8.50 8.09 1fpmB1 CYS 399 HA 0.36 0.03 0.27 -0.75 4.58 4.48 1fpmB1 CYS 399 HB2 0.10 0.10 0.05 -0.04 2.97 3.18 1fpmB1 CYS 399 HB3 0.16 -0.02 0.15 -0.04 2.97 3.21 1fpmB1 ALA 400 H -0.01 0.27 -1.24 -0.55 8.40 6.86 1fpmB1 ALA 400 HA 0.02 -0.08 0.29 -0.75 4.34 3.82 1fpmB1 ALA 400 HB3 0.00 0.02 0.14 -0.04 1.41 1.53 1fpmB1 LYS 401 H 0.05 0.05 0.44 -0.55 8.42 8.40 1fpmB1 LYS 401 HA 0.04 -0.01 0.42 -0.75 4.32 4.01 1fpmB1 LYS 401 HB2 0.08 0.16 -0.32 -0.04 1.87 1.76 1fpmB1 LYS 401 HB3 0.08 0.01 -0.14 -0.04 1.79 1.70 1fpmB1 LYS 401 HG2 0.04 -0.01 -0.07 -0.04 1.46 1.38 1fpmB1 LYS 401 HG3 0.04 -0.03 0.10 -0.04 1.46 1.53 1fpmB1 LYS 401 HD2 0.06 0.00 -0.02 -0.04 1.69 1.69 1fpmB1 LYS 401 HD3 0.06 -0.03 -0.08 -0.04 1.68 1.58 1fpmB1 LYS 401 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.95 1fpmB1 LYS 401 HE3 0.03 0.02 -0.11 -0.04 2.99 2.90 1fpmB1 ALA 402 H 0.05 0.43 0.31 -0.55 8.40 8.65 1fpmB1 ALA 402 HA 0.02 0.02 0.42 -0.75 4.34 4.06 1fpmB1 ALA 402 HB3 0.04 0.08 -0.01 -0.04 1.41 1.47 1fpmB1 GLY 403 H 0.02 0.18 0.19 -0.55 8.43 8.28 1fpmB1 GLY 403 HA2 0.01 -0.04 0.38 -0.51 4.01 3.85 1fpmB1 GLY 403 HA3 0.01 0.07 0.40 -0.51 4.01 3.98 1fpmB1 ALA 404 H -0.00 0.10 0.08 -0.55 8.40 8.03 1fpmB1 ALA 404 HA 0.05 0.10 0.83 -0.75 4.34 4.56 1fpmB1 ALA 404 HB3 0.06 0.04 0.05 -0.04 1.41 1.52 1fpmB1 GLU 405 H 0.04 0.58 0.14 -0.55 8.60 8.81 1fpmB1 GLU 405 HA 0.00 0.14 0.96 -0.75 4.29 4.64 1fpmB1 GLU 405 HB2 0.02 0.06 0.06 -0.04 2.09 2.19 1fpmB1 GLU 405 HB3 0.02 -0.03 -0.08 -0.04 1.99 1.85 1fpmB1 GLU 405 HG2 -0.01 -0.08 -0.32 -0.04 2.34 1.89 1fpmB1 GLU 405 HG3 -0.01 0.04 -0.09 -0.04 2.34 2.24 1fpmB1 VAL 406 H 0.09 0.13 0.15 -0.55 8.24 8.06 1fpmB1 VAL 406 HA 0.11 0.07 0.67 -0.75 4.13 4.23 1fpmB1 VAL 406 HB 0.31 0.03 0.02 -0.04 2.12 2.44 1fpmB1 VAL 406 HG13 0.14 -0.01 0.01 -0.04 0.97 1.07 1fpmB1 VAL 406 HG23 0.08 -0.00 -0.17 -0.04 0.95 0.82 1fpmB1 ALA 407 H 0.07 0.63 0.29 -0.55 8.40 8.84 1fpmB1 ALA 407 HA 0.05 0.41 1.01 -0.75 4.34 5.06 1fpmB1 ALA 407 HB3 0.05 -0.01 -0.02 -0.04 1.41 1.39 1fpmB1 LEU 408 H 0.06 0.49 0.15 -0.55 8.37 8.51 1fpmB1 LEU 408 HA 0.11 0.12 0.91 -0.75 4.35 4.73 1fpmB1 LEU 408 HB2 0.06 0.06 0.00 -0.04 1.64 1.72 1fpmB1 LEU 408 HB3 0.06 0.01 0.16 -0.04 1.64 1.83 1fpmB1 LEU 408 HG 0.08 -0.00 0.03 -0.04 1.64 1.71 1fpmB1 LEU 408 HD13 0.04 0.03 -0.04 -0.04 0.93 0.92 1fpmB1 LEU 408 HD23 0.14 -0.02 -0.02 -0.04 0.89 0.95 1fpmB1 SER 409 H 0.10 0.25 -0.47 -0.55 8.46 7.79 1fpmB1 SER 409 HA 0.07 0.32 0.20 -0.75 4.49 4.33 1fpmB1 SER 409 HB2 0.11 -0.07 -0.17 -0.04 3.95 3.78 1fpmB1 SER 409 HB3 0.09 0.02 -0.28 -0.04 3.93 3.72 1fpmB1 TRP 412 H 0.32 0.09 -0.27 -0.55 7.97 7.56 1fpmB1 TRP 412 HA 0.09 -0.01 0.23 -0.75 4.62 4.18 1fpmB1 TRP 412 HB2 0.06 0.02 0.09 -0.04 3.23 3.36 1fpmB1 TRP 412 HB3 0.05 -0.10 0.14 -0.04 3.23 3.29 1fpmB1 TRP 412 HD1 0.06 -0.05 -0.07 -0.04 7.22 7.12 1fpmB1 TRP 412 HE1 0.06 -0.01 0.02 -0.04 10.20 10.22 1fpmB1 TRP 412 HE3 0.03 -0.07 0.02 -0.04 7.59 7.53 1fpmB1 TRP 412 HZ2 0.06 -0.00 0.01 -0.04 7.44 7.47 1fpmB1 TRP 412 HZ3 0.00 0.05 0.01 -0.04 7.13 7.15 1fpmB1 TRP 412 HH2 0.04 0.05 0.00 -0.04 7.19 7.24 1fpmB1 ALA 413 H 0.50 0.12 -0.04 -0.55 8.40 8.44 1fpmB1 ALA 413 HA -0.17 0.13 0.60 -0.75 4.34 4.15 1fpmB1 ALA 413 HB3 0.28 0.01 0.11 -0.04 1.41 1.76 1fpmB1 LYS 414 H 0.02 0.19 -0.47 -0.55 8.42 7.61 1fpmB1 LYS 414 HA -0.17 0.25 1.01 -0.75 4.32 4.65 1fpmB1 LYS 414 HB2 0.01 0.21 0.08 -0.04 1.87 2.13 1fpmB1 LYS 414 HB3 -0.03 -0.12 0.15 -0.04 1.79 1.75 1fpmB1 LYS 414 HG2 -0.04 0.07 -0.01 -0.04 1.46 1.44 1fpmB1 LYS 414 HG3 0.01 -0.08 -0.31 -0.04 1.46 1.04 1fpmB1 LYS 414 HD2 0.03 -0.05 0.01 -0.04 1.69 1.63 1fpmB1 LYS 414 HD3 0.00 -0.00 -0.03 -0.04 1.68 1.61 1fpmB1 LYS 414 HE2 0.00 0.04 -0.03 -0.04 2.99 2.96 1fpmB1 LYS 414 HE3 0.02 -0.03 -0.05 -0.04 2.99 2.90 1fpmB1 GLY 415 H -0.04 0.48 0.13 -0.55 8.43 8.46 1fpmB1 GLY 415 HA2 0.10 0.20 0.48 -0.51 4.01 4.27 1fpmB1 GLY 415 HA3 -0.01 0.06 0.56 -0.51 4.01 4.11 1fpmB1 GLY 416 H 0.03 0.21 0.21 -0.55 8.43 8.33 1fpmB1 GLY 416 HA2 0.02 0.14 0.21 -0.51 4.01 3.87 1fpmB1 GLY 416 HA3 0.01 0.28 0.07 -0.51 4.01 3.86 1fpmB1 GLU 417 H -0.01 0.20 -0.81 -0.55 8.60 7.43 1fpmB1 GLU 417 HA -0.00 0.10 0.40 -0.75 4.29 4.04 1fpmB1 GLU 417 HB2 -0.03 0.03 0.12 -0.04 2.09 2.17 1fpmB1 GLU 417 HB3 -0.03 0.18 0.16 -0.04 1.99 2.25 1fpmB1 GLU 417 HG2 -0.01 -0.08 -0.28 -0.04 2.34 1.93 1fpmB1 GLU 417 HG3 -0.01 0.01 -0.01 -0.04 2.34 2.28 1fpmB1 GLY 418 H 0.01 0.25 -0.22 -0.55 8.43 7.92 1fpmB1 GLY 418 HA2 0.03 0.06 0.24 -0.51 4.01 3.83 1fpmB1 GLY 418 HA3 0.04 -0.06 -0.17 -0.51 4.01 3.31 1fpmB1 GLY 419 H 0.02 0.29 -1.47 -0.55 8.43 6.73 1fpmB1 GLY 419 HA2 0.03 0.01 0.66 -0.51 4.01 4.19 1fpmB1 GLY 419 HA3 0.02 0.17 0.12 -0.51 4.01 3.81 1fpmB1 LEU 420 H 0.01 0.90 0.17 -0.55 8.37 8.91 1fpmB1 LEU 420 HA -0.00 0.07 0.36 -0.75 4.35 4.02 1fpmB1 LEU 420 HB2 0.00 0.05 0.22 -0.04 1.64 1.87 1fpmB1 LEU 420 HB3 0.00 -0.03 -0.01 -0.04 1.64 1.56 1fpmB1 LEU 420 HG -0.00 -0.05 0.05 -0.04 1.64 1.60 1fpmB1 LEU 420 HD13 -0.00 0.01 -0.03 -0.04 0.93 0.87 1fpmB1 LEU 420 HD23 0.00 -0.01 0.15 -0.04 0.89 0.99 1fpmB1 GLU 421 H 0.01 0.13 -0.13 -0.55 8.60 8.06 1fpmB1 GLU 421 HA -0.00 0.04 0.30 -0.75 4.29 3.88 1fpmB1 GLU 421 HB2 0.02 -0.02 0.10 -0.04 2.09 2.15 1fpmB1 GLU 421 HB3 0.02 0.05 0.12 -0.04 1.99 2.14 1fpmB1 GLU 421 HG2 -0.01 0.01 -0.03 -0.04 2.34 2.27 1fpmB1 GLU 421 HG3 -0.00 -0.00 0.04 -0.04 2.34 2.33 1fpmB1 LEU 422 H 0.01 0.16 -0.22 -0.55 8.37 7.77 1fpmB1 LEU 422 HA 0.00 -0.04 0.26 -0.75 4.35 3.82 1fpmB1 LEU 422 HB2 0.02 0.00 -0.11 -0.04 1.64 1.52 1fpmB1 LEU 422 HB3 0.01 0.08 -0.00 -0.04 1.64 1.69 1fpmB1 LEU 422 HG 0.00 0.01 -0.22 -0.04 1.64 1.39 1fpmB1 LEU 422 HD13 0.01 0.02 -0.03 -0.04 0.93 0.90 1fpmB1 LEU 422 HD23 0.02 -0.01 -0.10 -0.04 0.89 0.75 1fpmB1 ALA 423 H -0.00 0.65 -0.23 -0.55 8.40 8.26 1fpmB1 ALA 423 HA -0.03 -0.06 0.32 -0.75 4.34 3.81 1fpmB1 ALA 423 HB3 -0.01 0.03 0.03 -0.04 1.41 1.41 1fpmB1 ARG 424 H -0.02 0.54 0.00 -0.55 8.46 8.43 1fpmB1 ARG 424 HA -0.03 0.01 0.36 -0.75 4.34 3.93 1fpmB1 ARG 424 HB2 -0.01 0.13 0.15 -0.04 1.90 2.13 1fpmB1 ARG 424 HB3 -0.02 -0.06 0.03 -0.04 1.80 1.71 1fpmB1 ARG 424 HG2 -0.01 -0.01 0.03 -0.04 1.67 1.64 1fpmB1 ARG 424 HG3 -0.01 0.07 0.04 -0.04 1.67 1.73 1fpmB1 ARG 424 HD2 -0.01 -0.01 -0.03 -0.04 3.22 3.13 1fpmB1 ARG 424 HD3 -0.01 -0.03 -0.00 -0.04 3.22 3.14 1fpmB1 LYS 425 H -0.02 0.36 -0.26 -0.55 8.42 7.94 1fpmB1 LYS 425 HA -0.02 -0.07 0.34 -0.75 4.32 3.82 1fpmB1 LYS 425 HB2 -0.01 -0.03 0.07 -0.04 1.87 1.86 1fpmB1 LYS 425 HB3 -0.01 0.20 0.14 -0.04 1.79 2.08 1fpmB1 LYS 425 HG2 -0.00 -0.07 -0.07 -0.04 1.46 1.28 1fpmB1 LYS 425 HG3 -0.01 0.03 -0.13 -0.04 1.46 1.31 1fpmB1 LYS 425 HD2 -0.01 0.00 0.04 -0.04 1.69 1.68 1fpmB1 LYS 425 HD3 -0.02 -0.01 -0.03 -0.04 1.68 1.59 1fpmB1 LYS 425 HE2 -0.01 -0.20 0.05 -0.04 2.99 2.80 1fpmB1 LYS 425 HE3 -0.00 0.05 0.07 -0.04 2.99 3.06 1fpmB1 VAL 426 H -0.03 0.58 -0.05 -0.55 8.24 8.19 1fpmB1 VAL 426 HA -0.03 0.02 0.31 -0.75 4.13 3.68 1fpmB1 VAL 426 HB -0.07 0.07 -0.03 -0.04 2.12 2.05 1fpmB1 VAL 426 HG13 -0.04 -0.01 -0.14 -0.04 0.97 0.74 1fpmB1 VAL 426 HG23 -0.02 0.06 -0.08 -0.04 0.95 0.87 1fpmB1 LEU 427 H -0.07 0.47 -0.16 -0.55 8.37 8.07 1fpmB1 LEU 427 HA -0.13 0.04 0.43 -0.75 4.35 3.94 1fpmB1 LEU 427 HB2 -0.06 0.19 0.23 -0.04 1.64 1.96 1fpmB1 LEU 427 HB3 -0.06 -0.04 -0.01 -0.04 1.64 1.49 1fpmB1 LEU 427 HG -0.20 -0.05 -0.04 -0.04 1.64 1.31 1fpmB1 LEU 427 HD13 -0.07 0.01 -0.11 -0.04 0.93 0.72 1fpmB1 LEU 427 HD23 -0.21 -0.00 -0.04 -0.04 0.89 0.60 1fpmB1 GLN 428 H -0.03 0.83 0.10 -0.55 8.47 8.82 1fpmB1 GLN 428 HA -0.01 -0.00 0.39 -0.75 4.36 3.97 1fpmB1 GLN 428 HB2 -0.02 0.06 0.05 -0.04 2.15 2.20 1fpmB1 GLN 428 HB3 -0.02 0.07 0.15 -0.04 2.02 2.19 1fpmB1 GLN 428 HG2 -0.01 -0.01 -0.11 -0.04 2.40 2.23 1fpmB1 GLN 428 HG3 -0.01 -0.03 0.02 -0.04 2.39 2.34 1fpmB1 GLN 428 HE21 -0.01 -0.04 -0.03 -0.04 6.97 6.84 1fpmB1 GLN 428 HE22 -0.01 0.02 -0.05 -0.04 7.69 7.60 1fpmB1 THR 429 H -0.02 0.86 -0.00 -0.55 8.28 8.57 1fpmB1 THR 429 HA -0.00 0.02 0.63 -0.75 4.39 4.29 1fpmB1 THR 429 HB 0.00 0.01 0.22 -0.04 4.32 4.51 1fpmB1 THR 429 HG23 -0.00 -0.04 0.08 -0.04 1.22 1.21 1fpmB1 LEU 430 H -0.02 0.30 -0.58 -0.55 8.37 7.53 1fpmB1 LEU 430 HA 0.00 0.27 0.80 -0.75 4.35 4.67 1fpmB1 LEU 430 HB2 -0.02 -0.09 0.02 -0.04 1.64 1.51 1fpmB1 LEU 430 HB3 -0.04 0.23 0.23 -0.04 1.64 2.02 1fpmB1 LEU 430 HG 0.01 0.02 -0.11 -0.04 1.64 1.51 1fpmB1 LEU 430 HD13 0.02 -0.01 -0.07 -0.04 0.93 0.84 1fpmB1 LEU 430 HD23 -0.07 -0.06 -0.09 -0.04 0.89 0.63 1fpmB1 GLU 431 H -0.01 0.13 -0.05 -0.55 8.60 8.13 1fpmB1 GLU 431 HA 0.02 0.10 0.62 -0.75 4.29 4.28 1fpmB1 GLU 431 HB2 0.00 0.01 0.07 -0.04 2.09 2.13 1fpmB1 GLU 431 HB3 -0.00 0.09 0.23 -0.04 1.99 2.27 1fpmB1 GLU 431 HG2 0.01 0.00 -0.26 -0.04 2.34 2.05 1fpmB1 GLU 431 HG3 0.02 -0.03 0.02 -0.04 2.34 2.31 1fpmB1 SER 432 H 0.00 0.22 0.07 -0.55 8.46 8.21 1fpmB1 SER 432 HA 0.01 0.15 0.77 -0.75 4.49 4.67 1fpmB1 SER 432 HB2 0.01 -0.04 0.08 -0.04 3.95 3.95 1fpmB1 SER 432 HB3 0.00 -0.05 0.07 -0.04 3.93 3.91 1fpmB1 ARG 433 H 0.01 0.03 -0.44 -0.55 8.46 7.51 1fpmB1 ARG 433 HA 0.01 0.20 0.90 -0.75 4.34 4.70 1fpmB1 ARG 433 HB2 0.01 -0.16 0.05 -0.04 1.90 1.76 1fpmB1 ARG 433 HB3 0.01 0.42 0.32 -0.04 1.80 2.50 1fpmB1 ARG 433 HG2 0.02 0.04 -0.09 -0.04 1.67 1.60 1fpmB1 ARG 433 HG3 0.01 -0.00 -0.04 -0.04 1.67 1.60 1fpmB1 ARG 433 HD2 0.01 -0.08 0.08 -0.04 3.22 3.19 1fpmB1 ARG 433 HD3 0.01 -0.01 0.16 -0.04 3.22 3.35 1fpmB1 PRO 434 HA 0.03 0.10 0.60 -0.51 4.44 4.65 1fpmB1 PRO 434 HB2 0.02 0.01 0.01 -0.04 2.28 2.28 1fpmB1 PRO 434 HB3 0.02 0.02 0.00 -0.04 2.02 2.03 1fpmB1 PRO 434 HG2 0.02 -0.02 0.16 -0.04 2.03 2.15 1fpmB1 PRO 434 HG3 0.02 -0.03 0.05 -0.04 2.03 2.03 1fpmB1 PRO 434 HD2 0.01 0.08 0.27 -0.04 3.68 4.00 1fpmB1 PRO 434 HD3 0.02 0.19 -0.38 -0.04 3.65 3.44 1fpmB1 SER 435 H 0.03 0.21 0.27 -0.55 8.46 8.43 1fpmB1 SER 435 HA 0.02 0.09 0.75 -0.75 4.49 4.59 1fpmB1 SER 435 HB2 0.01 0.52 -0.02 -0.04 3.95 4.42 1fpmB1 SER 435 HB3 0.02 -0.06 0.01 -0.04 3.93 3.86 1fpmB1 ASN 436 H 0.01 0.18 0.07 -0.55 8.53 8.25 1fpmB1 ASN 436 HA 0.06 0.08 0.78 -0.75 4.76 4.93 1fpmB1 ASN 436 HB2 0.05 -0.03 0.01 -0.04 2.88 2.87 1fpmB1 ASN 436 HB3 0.06 -0.03 0.20 -0.04 2.79 2.97 1fpmB1 ASN 436 HD21 0.12 -0.06 -0.06 -0.04 7.03 6.99 1fpmB1 ASN 436 HD22 0.18 -0.02 0.02 -0.04 7.74 7.89 1fpmB1 PHE 437 H 0.17 0.09 -0.02 -0.55 8.34 8.03 1fpmB1 PHE 437 HA -0.24 0.35 0.51 -0.75 4.62 4.49 1fpmB1 PHE 437 HB2 -0.03 0.01 -0.14 -0.04 3.15 2.96 1fpmB1 PHE 437 HB3 0.01 -0.07 0.13 -0.04 3.06 3.10 1fpmB1 PHE 437 HD2 -0.03 0.01 -0.19 -0.04 7.28 7.03 1fpmB1 PHE 437 HE2 0.02 -0.09 -0.12 -0.04 7.38 7.15 1fpmB1 PHE 437 HZ 0.09 0.32 0.01 -0.04 7.32 7.69 1fpmB1 HIS 438 H -1.16 0.69 0.31 -0.55 8.41 7.71 1fpmB1 HIS 438 HA -0.28 0.04 0.81 -0.75 4.63 4.44 1fpmB1 HIS 438 HB2 -0.16 -0.04 -0.01 -0.04 3.26 3.02 1fpmB1 HIS 438 HB3 -0.12 -0.00 -0.10 -0.04 3.20 2.93 1fpmB1 HIS 438 HD2 -0.26 -0.07 -0.19 -0.04 6.97 6.41 1fpmB1 HIS 438 HE1 -0.07 -0.11 -0.04 -0.04 7.75 7.48 1fpmB1 VAL 439 H -0.10 0.07 0.14 -0.55 8.24 7.81 1fpmB1 VAL 439 HA -0.08 0.12 0.51 -0.75 4.13 3.93 1fpmB1 VAL 439 HB -0.24 -0.05 0.12 -0.04 2.12 1.91 1fpmB1 VAL 439 HG13 0.06 0.04 0.08 -0.04 0.97 1.12 1fpmB1 VAL 439 HG23 -0.05 -0.04 0.14 -0.04 0.95 0.96 1fpmB1 LEU 440 H 0.13 0.13 0.14 -0.55 8.37 8.22 1fpmB1 LEU 440 HA -0.13 0.18 0.39 -0.75 4.35 4.03 1fpmB1 LEU 440 HB2 -0.65 0.10 0.07 -0.04 1.64 1.11 1fpmB1 LEU 440 HB3 0.18 -0.08 0.02 -0.04 1.64 1.72 1fpmB1 LEU 440 HG -0.03 -0.07 0.08 -0.04 1.64 1.58 1fpmB1 LEU 440 HD13 -0.37 0.02 0.02 -0.04 0.93 0.56 1fpmB1 LEU 440 HD23 -0.19 -0.01 -0.02 -0.04 0.89 0.63 1fpmB1 TYR 441 H -0.14 0.18 -0.61 -0.55 8.29 7.17 1fpmB1 TYR 441 HA 0.00 0.08 0.41 -0.75 4.56 4.30 1fpmB1 TYR 441 HB2 0.04 -0.11 0.11 -0.04 3.06 3.06 1fpmB1 TYR 441 HB3 0.04 0.16 -0.27 -0.04 2.98 2.87 1fpmB1 TYR 441 HD2 0.09 0.07 -0.38 -0.04 7.15 6.89 1fpmB1 TYR 441 HE2 0.11 0.03 -0.17 -0.04 6.85 6.78 1fpmB1 ASN 442 H 0.26 0.10 0.12 -0.55 8.53 8.46 1fpmB1 ASN 442 HA 0.06 0.35 1.16 -0.75 4.76 5.57 1fpmB1 ASN 442 HB2 0.06 0.11 -0.03 -0.04 2.88 2.98 1fpmB1 ASN 442 HB3 0.09 -0.10 0.04 -0.04 2.79 2.78 1fpmB1 ASN 442 HD21 0.03 0.04 0.01 -0.04 7.03 7.08 1fpmB1 ASN 442 HD22 0.03 0.06 -0.02 -0.04 7.74 7.77 1fpmB1 LEU 443 H 0.09 0.23 0.14 -0.55 8.37 8.29 1fpmB1 LEU 443 HA 0.22 0.14 0.27 -0.75 4.35 4.22 1fpmB1 LEU 443 HB2 0.10 -0.00 0.10 -0.04 1.64 1.80 1fpmB1 LEU 443 HB3 0.08 -0.02 0.02 -0.04 1.64 1.68 1fpmB1 LEU 443 HG 0.09 0.36 0.17 -0.04 1.64 2.22 1fpmB1 LEU 443 HD13 0.19 -0.03 -0.13 -0.04 0.93 0.92 1fpmB1 LEU 443 HD23 0.08 -0.02 0.03 -0.04 0.89 0.94 1fpmB1 ASP 444 H 0.09 -0.06 -0.41 -0.55 8.40 7.47 1fpmB1 ASP 444 HA 0.06 0.26 0.83 -0.75 4.63 5.02 1fpmB1 ASP 444 HB2 0.05 -0.05 -0.01 -0.04 2.71 2.65 1fpmB1 ASP 444 HB3 0.04 0.01 0.12 -0.04 2.70 2.83 1fpmB1 LEU 445 H 0.10 0.22 -0.37 -0.55 8.37 7.78 1fpmB1 LEU 445 HA 0.05 0.06 0.34 -0.75 4.35 4.04 1fpmB1 LEU 445 HB2 0.09 0.21 0.06 -0.04 1.64 1.96 1fpmB1 LEU 445 HB3 0.05 -0.28 0.16 -0.04 1.64 1.53 1fpmB1 LEU 445 HG 0.10 -0.08 0.07 -0.04 1.64 1.69 1fpmB1 LEU 445 HD13 0.11 0.05 0.03 -0.04 0.93 1.08 1fpmB1 LEU 445 HD23 0.04 0.01 -0.00 -0.04 0.89 0.90 1fpmB1 SER 446 H 0.04 0.10 0.11 -0.55 8.46 8.16 1fpmB1 SER 446 HA 0.04 0.36 0.84 -0.75 4.49 4.98 1fpmB1 SER 446 HB2 0.02 0.18 -0.06 -0.04 3.95 4.05 1fpmB1 SER 446 HB3 0.02 -0.20 0.11 -0.04 3.93 3.82 1fpmB1 ILE 447 H 0.07 0.31 0.13 -0.55 8.25 8.21 1fpmB1 ILE 447 HA 0.06 0.20 0.35 -0.75 4.18 4.04 1fpmB1 ILE 447 HB 0.12 -0.09 0.11 -0.04 1.89 1.98 1fpmB1 ILE 447 HG12 0.11 0.18 0.12 -0.04 1.49 1.86 1fpmB1 ILE 447 HG13 0.10 0.04 0.21 -0.04 1.21 1.51 1fpmB1 ILE 447 HG23 0.17 0.01 -0.09 -0.04 0.93 0.98 1fpmB1 ILE 447 HD13 0.19 -0.01 0.09 -0.04 0.88 1.10 1fpmB1 LYS 448 H 0.04 0.08 -0.31 -0.55 8.42 7.68 1fpmB1 LYS 448 HA 0.11 0.11 0.39 -0.75 4.32 4.17 1fpmB1 LYS 448 HB2 -0.04 -0.04 0.04 -0.04 1.87 1.79 1fpmB1 LYS 448 HB3 -0.11 0.05 -0.08 -0.04 1.79 1.61 1fpmB1 LYS 448 HG2 -0.11 -0.00 -0.03 -0.04 1.46 1.27 1fpmB1 LYS 448 HG3 -0.16 0.03 -0.02 -0.04 1.46 1.27 1fpmB1 LYS 448 HD2 -0.49 0.01 -0.02 -0.04 1.69 1.15 1fpmB1 LYS 448 HD3 -1.31 -0.00 -0.01 -0.04 1.68 0.31 1fpmB1 LYS 448 HE2 -0.65 0.03 -0.06 -0.04 2.99 2.26 1fpmB1 LYS 448 HE3 -0.36 0.01 -0.03 -0.04 2.99 2.57 1fpmB1 ASP 449 H 0.02 0.08 -0.18 -0.55 8.40 7.77 1fpmB1 ASP 449 HA 0.02 0.13 0.71 -0.75 4.63 4.74 1fpmB1 ASP 449 HB2 0.02 -0.15 0.16 -0.04 2.71 2.71 1fpmB1 ASP 449 HB3 0.02 0.05 0.09 -0.04 2.70 2.82 1fpmB1 LYS 450 H 0.00 0.88 -0.01 -0.55 8.42 8.73 1fpmB1 LYS 450 HA -0.15 0.04 0.46 -0.75 4.32 3.91 1fpmB1 LYS 450 HB2 -0.12 0.07 0.00 -0.04 1.87 1.79 1fpmB1 LYS 450 HB3 -0.57 0.00 -0.08 -0.04 1.79 1.11 1fpmB1 LYS 450 HG2 0.01 0.04 -0.07 -0.04 1.46 1.39 1fpmB1 LYS 450 HG3 0.00 0.02 -0.19 -0.04 1.46 1.25 1fpmB1 LYS 450 HD2 0.03 -0.02 -0.25 -0.04 1.69 1.40 1fpmB1 LYS 450 HD3 0.06 0.03 -0.19 -0.04 1.68 1.55 1fpmB1 LYS 450 HE2 0.13 -0.02 -0.34 -0.04 2.99 2.73 1fpmB1 LYS 450 HE3 0.07 -0.26 -0.77 -0.04 2.99 1.99 1fpmB1 ILE 451 H 0.03 0.43 -0.19 -0.55 8.25 7.97 1fpmB1 ILE 451 HA 0.03 0.06 0.35 -0.75 4.18 3.86 1fpmB1 ILE 451 HB 0.23 0.11 0.05 -0.04 1.89 2.24 1fpmB1 ILE 451 HG12 0.06 -0.05 -0.04 -0.04 1.49 1.42 1fpmB1 ILE 451 HG13 0.11 0.31 0.09 -0.04 1.21 1.67 1fpmB1 ILE 451 HG23 0.09 -0.02 -0.18 -0.04 0.93 0.78 1fpmB1 ILE 451 HD13 0.10 -0.03 -0.08 -0.04 0.88 0.83 1fpmB1 ALA 452 H 0.07 0.16 -0.52 -0.55 8.40 7.56 1fpmB1 ALA 452 HA 0.10 -0.02 0.35 -0.75 4.34 4.01 1fpmB1 ALA 452 HB3 0.04 0.17 0.20 -0.04 1.41 1.78 1fpmB1 LYS 453 H 0.02 0.51 -0.05 -0.55 8.42 8.34 1fpmB1 LYS 453 HA 0.03 0.00 0.50 -0.75 4.32 4.09 1fpmB1 LYS 453 HB2 0.04 0.05 0.13 -0.04 1.87 2.05 1fpmB1 LYS 453 HB3 0.04 0.12 0.13 -0.04 1.79 2.03 1fpmB1 LYS 453 HG2 0.01 -0.02 0.07 -0.04 1.46 1.48 1fpmB1 LYS 453 HG3 0.02 -0.01 0.09 -0.04 1.46 1.52 1fpmB1 LYS 453 HD2 0.02 -0.06 0.04 -0.04 1.69 1.65 1fpmB1 LYS 453 HD3 0.06 -0.07 0.08 -0.04 1.68 1.71 1fpmB1 LYS 453 HE2 0.03 -0.05 0.04 -0.04 2.99 2.98 1fpmB1 LYS 453 HE3 0.05 0.26 0.16 -0.04 2.99 3.41 1fpmB1 ILE 454 H 0.02 0.30 -0.48 -0.55 8.25 7.54 1fpmB1 ILE 454 HA 0.04 0.12 0.59 -0.75 4.18 4.18 1fpmB1 ILE 454 HB 0.05 0.02 0.11 -0.04 1.89 2.03 1fpmB1 ILE 454 HG12 0.14 -0.01 -0.06 -0.04 1.49 1.52 1fpmB1 ILE 454 HG13 -0.13 0.24 0.03 -0.04 1.21 1.31 1fpmB1 ILE 454 HG23 0.01 -0.02 -0.03 -0.04 0.93 0.85 1fpmB1 ILE 454 HD13 -0.23 -0.05 -0.10 -0.04 0.88 0.47 1fpmB1 ALA 455 H 0.12 0.62 -0.06 -0.55 8.40 8.54 1fpmB1 ALA 455 HA 0.53 0.00 0.52 -0.75 4.34 4.64 1fpmB1 ALA 455 HB3 0.20 -0.00 0.07 -0.04 1.41 1.63 1fpmB1 THR 456 H 0.09 0.68 0.06 -0.55 8.28 8.56 1fpmB1 THR 456 HA 0.06 0.21 0.31 -0.75 4.39 4.21 1fpmB1 THR 456 HB 0.02 -0.14 0.18 -0.04 4.32 4.34 1fpmB1 THR 456 HG23 -0.01 0.01 -0.15 -0.04 1.22 1.03 1fpmB1 GLU 457 H 0.01 0.21 -0.03 -0.55 8.60 8.24 1fpmB1 GLU 457 HA -0.03 0.04 0.34 -0.75 4.29 3.89 1fpmB1 GLU 457 HB2 -0.03 0.24 0.18 -0.04 2.09 2.44 1fpmB1 GLU 457 HB3 -0.06 0.04 -0.03 -0.04 1.99 1.89 1fpmB1 GLU 457 HG2 -0.05 -0.00 0.04 -0.04 2.34 2.28 1fpmB1 GLU 457 HG3 -0.03 -0.12 0.05 -0.04 2.34 2.20 1fpmB1 ILE 458 H -0.01 0.16 -0.28 -0.55 8.25 7.57 1fpmB1 ILE 458 HA 0.02 0.18 0.76 -0.75 4.18 4.39 1fpmB1 ILE 458 HB -0.23 0.14 0.22 -0.04 1.89 1.98 1fpmB1 ILE 458 HG12 0.02 0.01 0.07 -0.04 1.49 1.55 1fpmB1 ILE 458 HG13 0.18 -0.04 0.05 -0.04 1.21 1.36 1fpmB1 ILE 458 HG23 0.07 -0.01 -0.03 -0.04 0.93 0.91 1fpmB1 ILE 458 HD13 0.05 0.01 -0.16 -0.04 0.88 0.74 1fpmB1 TYR 459 H -0.04 0.29 0.11 -0.55 8.29 8.10 1fpmB1 TYR 459 HA 0.37 -0.06 0.54 -0.75 4.56 4.65 1fpmB1 TYR 459 HB2 0.23 -0.05 0.29 -0.04 3.06 3.49 1fpmB1 TYR 459 HB3 0.24 0.09 0.00 -0.04 2.98 3.28 1fpmB1 TYR 459 HD2 0.17 -0.13 0.07 -0.04 7.15 7.22 1fpmB1 TYR 459 HE2 0.07 -0.11 -0.14 -0.04 6.85 6.63 1fpmB1 GLY 460 H 0.33 0.71 0.23 -0.55 8.43 9.15 1fpmB1 GLY 460 HA2 0.01 0.33 0.24 -0.51 4.01 4.08 1fpmB1 GLY 460 HA3 0.03 0.13 0.79 -0.51 4.01 4.45 1fpmB1 ALA 461 H 0.29 0.57 -0.01 -0.55 8.40 8.70 1fpmB1 ALA 461 HA 0.17 -0.02 0.33 -0.75 4.34 4.06 1fpmB1 ALA 461 HB3 0.28 0.02 -0.08 -0.04 1.41 1.59 1fpmB1 ASP 462 H -0.12 0.29 0.07 -0.55 8.40 8.10 1fpmB1 ASP 462 HA -0.06 0.08 0.40 -0.75 4.63 4.29 1fpmB1 ASP 462 HB2 -0.03 0.08 0.09 -0.04 2.71 2.81 1fpmB1 ASP 462 HB3 -0.04 -0.06 0.09 -0.04 2.70 2.65 1fpmB1 GLY 463 H 0.08 0.09 -0.17 -0.55 8.43 7.88 1fpmB1 GLY 463 HA2 0.07 0.14 0.38 -0.51 4.01 4.09 1fpmB1 GLY 463 HA3 0.06 0.04 0.23 -0.51 4.01 3.82 1fpmB1 VAL 464 H 0.12 0.26 0.14 -0.55 8.24 8.21 1fpmB1 VAL 464 HA 0.12 0.35 1.08 -0.75 4.13 4.92 1fpmB1 VAL 464 HB 0.40 -0.02 -0.01 -0.04 2.12 2.45 1fpmB1 VAL 464 HG13 0.03 -0.01 -0.09 -0.04 0.97 0.86 1fpmB1 VAL 464 HG23 0.15 0.00 -0.23 -0.04 0.95 0.84 1fpmB1 ASN 465 H 0.09 0.55 0.38 -0.55 8.53 9.01 1fpmB1 ASN 465 HA 0.22 0.20 0.97 -0.75 4.76 5.40 1fpmB1 ASN 465 HB2 0.06 -0.06 0.03 -0.04 2.88 2.87 1fpmB1 ASN 465 HB3 0.08 0.00 -0.08 -0.04 2.79 2.76 1fpmB1 ASN 465 HD21 0.05 0.02 -0.10 -0.04 7.03 6.96 1fpmB1 ASN 465 HD22 0.06 -0.01 -0.03 -0.04 7.74 7.72 1fpmB1 TYR 466 H 0.30 0.22 0.11 -0.55 8.29 8.37 1fpmB1 TYR 466 HA 0.01 0.32 1.09 -0.75 4.56 5.23 1fpmB1 TYR 466 HB2 0.01 -0.03 0.09 -0.04 3.06 3.09 1fpmB1 TYR 466 HB3 0.01 0.02 -0.16 -0.04 2.98 2.81 1fpmB1 TYR 466 HD2 0.02 -0.10 -0.41 -0.04 7.15 6.62 1fpmB1 TYR 466 HE2 0.04 0.01 -0.18 -0.04 6.85 6.67 1fpmB1 THR 467 H 0.04 0.55 0.26 -0.55 8.28 8.59 1fpmB1 THR 467 HA 0.04 0.08 0.37 -0.75 4.39 4.13 1fpmB1 THR 467 HB 0.01 -0.06 0.21 -0.04 4.32 4.44 1fpmB1 THR 467 HG23 0.01 0.08 0.05 -0.04 1.22 1.32 1fpmB1 ALA 468 H 0.02 0.15 0.19 -0.55 8.40 8.21 1fpmB1 ALA 468 HA 0.02 0.11 0.37 -0.75 4.34 4.07 1fpmB1 ALA 468 HB3 0.00 0.02 0.12 -0.04 1.41 1.52 1fpmB1 GLU 469 H 0.01 0.04 -0.36 -0.55 8.60 7.75 1fpmB1 GLU 469 HA -0.01 0.10 0.62 -0.75 4.29 4.24 1fpmB1 GLU 469 HB2 0.00 0.18 0.19 -0.04 2.09 2.42 1fpmB1 GLU 469 HB3 -0.01 0.01 0.03 -0.04 1.99 1.98 1fpmB1 GLU 469 HG2 -0.01 0.04 0.01 -0.04 2.34 2.34 1fpmB1 GLU 469 HG3 -0.00 -0.12 0.00 -0.04 2.34 2.18 1fpmB1 ALA 470 H 0.02 0.26 0.02 -0.55 8.40 8.16 1fpmB1 ALA 470 HA 0.04 -0.04 0.14 -0.75 4.34 3.73 1fpmB1 ALA 470 HB3 0.04 0.03 -0.19 -0.04 1.41 1.25 1fpmB1 ASP 471 H 0.06 0.26 -0.87 -0.55 8.40 7.31 1fpmB1 ASP 471 HA 0.07 0.04 0.49 -0.75 4.63 4.48 1fpmB1 ASP 471 HB2 0.02 0.06 0.02 -0.04 2.71 2.77 1fpmB1 ASP 471 HB3 0.01 -0.04 -0.06 -0.04 2.70 2.57 1fpmB1 LYS 472 H -0.01 0.39 0.07 -0.55 8.42 8.31 1fpmB1 LYS 472 HA -0.04 -0.00 0.37 -0.75 4.32 3.89 1fpmB1 LYS 472 HB2 -0.04 0.10 0.31 -0.04 1.87 2.20 1fpmB1 LYS 472 HB3 -0.07 -0.01 0.01 -0.04 1.79 1.68 1fpmB1 LYS 472 HG2 -0.04 -0.03 0.10 -0.04 1.46 1.45 1fpmB1 LYS 472 HG3 -0.02 0.03 0.13 -0.04 1.46 1.56 1fpmB1 LYS 472 HD2 -0.03 -0.01 0.05 -0.04 1.69 1.65 1fpmB1 LYS 472 HD3 -0.05 0.00 0.02 -0.04 1.68 1.62 1fpmB1 LYS 472 HE2 -0.03 0.00 0.03 -0.04 2.99 2.95 1fpmB1 LYS 472 HE3 -0.02 -0.01 0.03 -0.04 2.99 2.95 1fpmB1 ALA 473 H -0.09 0.50 -0.21 -0.55 8.40 8.05 1fpmB1 ALA 473 HA -0.36 0.01 0.41 -0.75 4.34 3.65 1fpmB1 ALA 473 HB3 -0.30 0.01 0.06 -0.04 1.41 1.14 1fpmB1 ILE 474 H -0.05 0.39 -0.11 -0.55 8.25 7.93 1fpmB1 ILE 474 HA 0.17 -0.01 0.31 -0.75 4.18 3.89 1fpmB1 ILE 474 HB 0.06 0.14 0.19 -0.04 1.89 2.25 1fpmB1 ILE 474 HG12 0.22 -0.08 0.03 -0.04 1.49 1.62 1fpmB1 ILE 474 HG13 0.16 0.49 0.21 -0.04 1.21 2.03 1fpmB1 ILE 474 HG23 0.09 -0.04 -0.13 -0.04 0.93 0.81 1fpmB1 ILE 474 HD13 0.36 -0.06 -0.08 -0.04 0.88 1.06 1fpmB1 GLN 475 H -0.03 0.55 -0.32 -0.55 8.47 8.13 1fpmB1 GLN 475 HA 0.02 -0.04 0.37 -0.75 4.36 3.96 1fpmB1 GLN 475 HB2 -0.01 -0.06 0.05 -0.04 2.15 2.09 1fpmB1 GLN 475 HB3 -0.03 0.22 0.14 -0.04 2.02 2.31 1fpmB1 GLN 475 HG2 -0.01 0.04 -0.31 -0.04 2.40 2.09 1fpmB1 GLN 475 HG3 0.01 -0.05 -0.03 -0.04 2.39 2.27 1fpmB1 GLN 475 HE21 -0.01 -0.04 -0.01 -0.04 6.97 6.87 1fpmB1 GLN 475 HE22 -0.02 0.04 -0.02 -0.04 7.69 7.65 1fpmB1 ARG 476 H -0.10 0.60 0.09 -0.55 8.46 8.49 1fpmB1 ARG 476 HA 0.01 -0.01 0.41 -0.75 4.34 4.00 1fpmB1 ARG 476 HB2 -0.23 0.04 0.23 -0.04 1.90 1.89 1fpmB1 ARG 476 HB3 -0.03 -0.04 0.07 -0.04 1.80 1.76 1fpmB1 ARG 476 HG2 -0.06 -0.06 0.07 -0.04 1.67 1.58 1fpmB1 ARG 476 HG3 -0.12 0.43 0.14 -0.04 1.67 2.08 1fpmB1 ARG 476 HD2 -0.21 -0.03 0.01 -0.04 3.22 2.95 1fpmB1 ARG 476 HD3 -0.14 0.00 0.02 -0.04 3.22 3.06 1fpmB1 TYR 477 H -0.15 0.74 -0.09 -0.55 8.29 8.24 1fpmB1 TYR 477 HA 0.19 -0.05 0.31 -0.75 4.56 4.25 1fpmB1 TYR 477 HB2 0.10 0.18 0.08 -0.04 3.06 3.38 1fpmB1 TYR 477 HB3 0.15 0.07 -0.18 -0.04 2.98 2.98 1fpmB1 TYR 477 HD2 0.10 -0.03 -0.08 -0.04 7.15 7.11 1fpmB1 TYR 477 HE2 0.08 0.03 -0.12 -0.04 6.85 6.79 1fpmB1 GLU 478 H 0.18 0.70 -0.07 -0.55 8.60 8.85 1fpmB1 GLU 478 HA 0.12 -0.10 0.46 -0.75 4.29 4.02 1fpmB1 GLU 478 HB2 0.08 0.11 0.14 -0.04 2.09 2.38 1fpmB1 GLU 478 HB3 0.07 -0.02 0.05 -0.04 1.99 2.05 1fpmB1 GLU 478 HG2 0.09 -0.04 0.06 -0.04 2.34 2.41 1fpmB1 GLU 478 HG3 0.16 0.04 0.03 -0.04 2.34 2.52 1fpmB1 SER 479 H 0.09 0.74 -0.11 -0.55 8.46 8.64 1fpmB1 SER 479 HA 0.05 -0.00 0.48 -0.75 4.49 4.26 1fpmB1 SER 479 HB2 0.03 -0.08 0.08 -0.04 3.95 3.95 1fpmB1 SER 479 HB3 0.05 0.10 0.17 -0.04 3.93 4.21 1fpmB1 LEU 480 H 0.15 0.21 -0.44 -0.55 8.37 7.74 1fpmB1 LEU 480 HA 0.09 0.10 0.80 -0.75 4.35 4.59 1fpmB1 LEU 480 HB2 0.32 0.09 0.21 -0.04 1.64 2.21 1fpmB1 LEU 480 HB3 0.29 -0.10 0.03 -0.04 1.64 1.82 1fpmB1 LEU 480 HG 0.28 -0.07 0.06 -0.04 1.64 1.86 1fpmB1 LEU 480 HD13 0.12 0.00 -0.07 -0.04 0.93 0.94 1fpmB1 LEU 480 HD23 0.26 0.08 -0.13 -0.04 0.89 1.06 1fpmB1 GLY 481 H 0.11 0.65 0.24 -0.55 8.43 8.90 1fpmB1 GLY 481 HA2 -0.02 0.05 0.38 -0.51 4.01 3.91 1fpmB1 GLY 481 HA3 -0.13 0.20 0.86 -0.51 4.01 4.43 1fpmB1 TYR 482 H 0.17 0.24 0.14 -0.55 8.29 8.29 1fpmB1 TYR 482 HA 0.00 0.12 0.45 -0.75 4.56 4.38 1fpmB1 TYR 482 HB2 -0.01 -0.03 0.15 -0.04 3.06 3.13 1fpmB1 TYR 482 HB3 -0.12 0.00 0.15 -0.04 2.98 2.97 1fpmB1 TYR 482 HD2 0.03 0.03 0.02 -0.04 7.15 7.19 1fpmB1 TYR 482 HE2 0.00 0.05 0.02 -0.04 6.85 6.88 1fpmB1 GLY 483 H 0.07 0.40 -0.91 -0.55 8.43 7.44 1fpmB1 GLY 483 HA2 0.13 0.13 0.72 -0.51 4.01 4.48 1fpmB1 GLY 483 HA3 0.10 -0.01 0.20 -0.51 4.01 3.79 1fpmB1 ASN 484 H 0.04 0.24 0.11 -0.55 8.53 8.37 1fpmB1 ASN 484 HA 0.07 0.20 0.53 -0.75 4.76 4.80 1fpmB1 ASN 484 HB2 0.01 -0.00 0.18 -0.04 2.88 3.03 1fpmB1 ASN 484 HB3 0.03 0.00 0.23 -0.04 2.79 3.01 1fpmB1 ASN 484 HD21 0.02 -0.02 0.06 -0.04 7.03 7.05 1fpmB1 ASN 484 HD22 0.01 0.01 0.11 -0.04 7.74 7.83 1fpmB1 LEU 485 H 0.08 0.05 -0.89 -0.55 8.37 7.07 1fpmB1 LEU 485 HA 0.10 0.17 0.73 -0.75 4.35 4.60 1fpmB1 LEU 485 HB2 0.08 0.01 -0.13 -0.04 1.64 1.56 1fpmB1 LEU 485 HB3 0.09 -0.01 0.08 -0.04 1.64 1.77 1fpmB1 LEU 485 HG 0.05 -0.14 -0.26 -0.04 1.64 1.25 1fpmB1 LEU 485 HD13 0.14 0.04 -0.11 -0.04 0.93 0.97 1fpmB1 LEU 485 HD23 0.03 0.13 0.06 -0.04 0.89 1.07 1fpmB1 PRO 486 HA 0.38 0.11 0.32 -0.51 4.44 4.74 1fpmB1 PRO 486 HB2 0.21 -0.12 -0.05 -0.04 2.28 2.28 1fpmB1 PRO 486 HB3 0.29 0.14 0.07 -0.04 2.02 2.48 1fpmB1 PRO 486 HG2 0.44 0.04 0.06 -0.04 2.03 2.53 1fpmB1 PRO 486 HG3 0.29 0.09 0.07 -0.04 2.03 2.43 1fpmB1 PRO 486 HD2 0.20 0.04 0.05 -0.04 3.68 3.92 1fpmB1 PRO 486 HD3 0.17 0.18 0.19 -0.04 3.65 4.15 1fpmB1 VAL 487 H 0.26 0.25 0.03 -0.55 8.24 8.24 1fpmB1 VAL 487 HA 0.09 0.16 0.88 -0.75 4.13 4.50 1fpmB1 VAL 487 HB -0.08 -0.02 -0.06 -0.04 2.12 1.93 1fpmB1 VAL 487 HG13 0.05 -0.02 -0.24 -0.04 0.97 0.71 1fpmB1 VAL 487 HG23 -0.00 0.00 -0.28 -0.04 0.95 0.63 1fpmB1 VAL 488 H 0.09 0.89 0.20 -0.55 8.24 8.87 1fpmB1 VAL 488 HA 0.13 0.15 0.79 -0.75 4.13 4.45 1fpmB1 VAL 488 HB 0.10 -0.01 -0.08 -0.04 2.12 2.09 1fpmB1 VAL 488 HG13 0.13 0.02 -0.65 -0.04 0.97 0.43 1fpmB1 VAL 488 HG23 0.11 -0.04 -0.19 -0.04 0.95 0.79 1fpmB1 MET 489 H 0.15 0.24 0.02 -0.55 8.47 8.32 1fpmB1 MET 489 HA 0.10 0.00 0.43 -0.75 4.52 4.29 1fpmB1 MET 489 HB2 0.28 0.06 0.16 -0.04 2.15 2.62 1fpmB1 MET 489 HB3 0.23 -0.05 -0.01 -0.04 2.03 2.16 1fpmB1 MET 489 HG2 0.18 0.04 -0.05 -0.04 2.63 2.76 1fpmB1 MET 489 HG3 0.54 0.05 -0.05 -0.04 2.56 3.06 1fpmB1 MET 489 HE3 0.07 -0.01 -0.09 -0.04 2.10 2.03 1fpmB1 ALA 490 H 0.05 0.28 0.14 -0.55 8.40 8.32 1fpmB1 ALA 490 HA 0.07 0.25 0.39 -0.75 4.34 4.29 1fpmB1 ALA 490 HB3 0.05 -0.02 -0.14 -0.04 1.41 1.26 1fpmB1 LYS 491 H -0.02 0.58 -0.08 -0.55 8.42 8.34 1fpmB1 LYS 491 HA -0.08 -0.05 1.03 -0.75 4.32 4.46 1fpmB1 LYS 491 HB2 -0.21 -0.04 0.05 -0.04 1.87 1.63 1fpmB1 LYS 491 HB3 -0.15 -0.01 -0.11 -0.04 1.79 1.47 1fpmB1 LYS 491 HG2 -0.09 0.02 -0.19 -0.04 1.46 1.16 1fpmB1 LYS 491 HG3 -0.20 0.10 -0.27 -0.04 1.46 1.06 1fpmB1 LYS 491 HD2 -0.54 -0.10 -0.11 -0.04 1.69 0.90 1fpmB1 LYS 491 HD3 -1.66 0.08 -0.11 -0.04 1.68 -0.04 1fpmB1 LYS 491 HE2 -0.37 -0.26 -0.25 -0.04 2.99 2.07 1fpmB1 LYS 491 HE3 -0.71 0.09 -0.22 -0.04 2.99 2.11 1fpmB1 THR 492 H -0.12 0.01 0.16 -0.55 8.28 7.78 1fpmB1 THR 492 HA -0.12 -0.06 0.35 -0.75 4.39 3.81 1fpmB1 THR 492 HB -0.09 -0.07 0.15 -0.04 4.32 4.27 1fpmB1 THR 492 HG23 -0.12 0.02 -0.11 -0.04 1.22 0.96 1fpmB1 GLN 493 H -0.28 0.02 0.18 -0.55 8.47 7.84 1fpmB1 GLN 493 HA -0.29 0.26 0.49 -0.75 4.36 4.07 1fpmB1 GLN 493 HB2 -0.65 -0.11 0.17 -0.04 2.15 1.52 1fpmB1 GLN 493 HB3 -1.55 0.06 0.13 -0.04 2.02 0.62 1fpmB1 GLN 493 HG2 -0.86 0.08 -0.19 -0.04 2.40 1.39 1fpmB1 GLN 493 HG3 -0.56 -0.06 0.01 -0.04 2.39 1.73 1fpmB1 GLN 493 HE21 0.13 0.00 0.00 -0.04 6.97 7.07 1fpmB1 GLN 493 HE22 0.32 -0.03 0.01 -0.04 7.69 7.95 1fpmB1 TYR 494 H 0.23 -0.00 -0.23 -0.55 8.29 7.74 1fpmB1 TYR 494 HA -0.12 0.12 0.46 -0.75 4.56 4.27 1fpmB1 TYR 494 HB2 -0.12 -0.01 0.05 -0.04 3.06 2.94 1fpmB1 TYR 494 HB3 -0.11 0.10 0.15 -0.04 2.98 3.08 1fpmB1 TYR 494 HD2 -0.12 -0.00 -0.03 -0.04 7.15 6.96 1fpmB1 TYR 494 HE2 -0.07 -0.05 -0.09 -0.04 6.85 6.61 1fpmB1 SER 495 H -0.15 0.28 -0.76 -0.55 8.46 7.29 1fpmB1 SER 495 HA -0.26 0.00 0.32 -0.75 4.49 3.80 1fpmB1 SER 495 HB2 -0.05 0.29 0.20 -0.04 3.95 4.35 1fpmB1 SER 495 HB3 -0.10 0.04 -0.28 -0.04 3.93 3.54 1fpmB1 PHE 496 H -0.40 0.24 0.15 -0.55 8.34 7.77 1fpmB1 PHE 496 HA 0.29 0.01 0.37 -0.75 4.62 4.53 1fpmB1 PHE 496 HB2 0.17 0.01 0.02 -0.04 3.15 3.31 1fpmB1 PHE 496 HB3 0.33 0.03 0.24 -0.04 3.06 3.62 1fpmB1 PHE 496 HD2 0.15 -0.02 0.10 -0.04 7.28 7.47 1fpmB1 PHE 496 HE2 -0.07 0.11 0.14 -0.04 7.38 7.53 1fpmB1 PHE 496 HZ -0.79 -0.03 0.13 -0.04 7.32 6.60 1fpmB1 SER 497 H -0.14 0.04 -0.42 -0.55 8.46 7.40 1fpmB1 SER 497 HA -0.81 0.10 0.49 -0.75 4.49 3.52 1fpmB1 SER 497 HB2 -0.60 -0.14 0.05 -0.04 3.95 3.22 1fpmB1 SER 497 HB3 -1.00 0.11 -0.05 -0.04 3.93 2.96 1fpmB1 ASP 498 H -0.33 0.15 0.12 -0.55 8.40 7.78 1fpmB1 ASP 498 HA -0.21 0.14 0.41 -0.75 4.63 4.20 1fpmB1 ASP 498 HB2 -0.13 -0.11 0.15 -0.04 2.71 2.58 1fpmB1 ASP 498 HB3 -0.18 0.06 0.17 -0.04 2.70 2.70 1fpmB1 ASP 499 H -0.19 0.06 -0.39 -0.55 8.40 7.33 1fpmB1 ASP 499 HA -0.09 0.03 0.49 -0.75 4.63 4.31 1fpmB1 ASP 499 HB2 -0.09 0.04 0.09 -0.04 2.71 2.71 1fpmB1 ASP 499 HB3 -0.08 0.01 0.15 -0.04 2.70 2.74 1fpmB1 MET 500 H -0.09 0.16 0.20 -0.55 8.47 8.19 1fpmB1 MET 500 HA -0.07 0.16 0.15 -0.75 4.52 4.01 1fpmB1 MET 500 HB2 -0.20 -0.01 0.12 -0.04 2.15 2.01 1fpmB1 MET 500 HB3 -0.12 -0.02 0.13 -0.04 2.03 1.98 1fpmB1 MET 500 HG2 -0.10 -0.04 0.03 -0.04 2.63 2.47 1fpmB1 MET 500 HG3 -0.13 0.06 -0.26 -0.04 2.56 2.19 1fpmB1 MET 500 HE3 -0.25 0.01 -0.01 -0.04 2.10 1.80 1fpmB1 THR 501 H -0.07 -0.10 -0.87 -0.55 8.28 6.69 1fpmB1 THR 501 HA -0.07 0.25 0.93 -0.75 4.39 4.75 1fpmB1 THR 501 HB -0.04 0.02 0.06 -0.04 4.32 4.32 1fpmB1 THR 501 HG23 -0.06 -0.02 -0.13 -0.04 1.22 0.97 1fpmB1 LYS 502 H -0.05 0.28 -0.05 -0.55 8.42 8.05 1fpmB1 LYS 502 HA 0.01 0.06 0.61 -0.75 4.32 4.24 1fpmB1 LYS 502 HB2 -0.03 0.04 0.21 -0.04 1.87 2.05 1fpmB1 LYS 502 HB3 0.06 0.07 0.11 -0.04 1.79 1.99 1fpmB1 LYS 502 HG2 0.03 0.05 0.02 -0.04 1.46 1.52 1fpmB1 LYS 502 HG3 -0.01 -0.14 0.03 -0.04 1.46 1.29 1fpmB1 LYS 502 HD2 -0.05 -0.08 0.04 -0.04 1.69 1.56 1fpmB1 LYS 502 HD3 0.11 0.06 0.03 -0.04 1.68 1.84 1fpmB1 LYS 502 HE2 0.05 0.06 0.01 -0.04 2.99 3.07 1fpmB1 LYS 502 HE3 -0.00 -0.07 0.02 -0.04 2.99 2.89 1fpmB1 LEU 503 H -0.02 0.19 0.19 -0.55 8.37 8.19 1fpmB1 LEU 503 HA -0.04 0.17 0.54 -0.75 4.35 4.27 1fpmB1 LEU 503 HB2 -0.06 0.01 0.06 -0.04 1.64 1.61 1fpmB1 LEU 503 HB3 -0.32 -0.16 0.22 -0.04 1.64 1.33 1fpmB1 LEU 503 HG -0.29 -0.06 -0.09 -0.04 1.64 1.16 1fpmB1 LEU 503 HD13 -0.17 -0.01 -0.13 -0.04 0.93 0.57 1fpmB1 LEU 503 HD23 -0.07 0.05 0.05 -0.04 0.89 0.87 1fpmB1 GLY 504 H 0.77 0.03 0.25 -0.55 8.43 8.93 1fpmB1 GLY 504 HA2 0.25 0.04 0.43 -0.51 4.01 4.23 1fpmB1 GLY 504 HA3 0.17 0.07 0.58 -0.51 4.01 4.32 1fpmB1 ARG 505 H 0.12 0.10 0.04 -0.55 8.46 8.18 1fpmB1 ARG 505 HA 0.22 0.21 0.81 -0.75 4.34 4.83 1fpmB1 ARG 505 HB2 -0.03 0.02 -0.15 -0.04 1.90 1.70 1fpmB1 ARG 505 HB3 0.01 -0.08 0.14 -0.04 1.80 1.83 1fpmB1 ARG 505 HG2 -0.07 -0.02 0.08 -0.04 1.67 1.61 1fpmB1 ARG 505 HG3 -0.26 0.11 0.06 -0.04 1.67 1.54 1fpmB1 ARG 505 HD2 -0.13 0.07 0.06 -0.04 3.22 3.18 1fpmB1 ARG 505 HD3 -0.07 -0.09 0.04 -0.04 3.22 3.07 1fpmB1 PRO 506 HA 0.18 -0.08 0.38 -0.51 4.44 4.41 1fpmB1 PRO 506 HB2 0.51 -0.07 -0.05 -0.04 2.28 2.63 1fpmB1 PRO 506 HB3 0.19 0.01 0.06 -0.04 2.02 2.23 1fpmB1 PRO 506 HG2 0.54 0.06 -0.00 -0.04 2.03 2.58 1fpmB1 PRO 506 HG3 0.20 -0.02 0.04 -0.04 2.03 2.21 1fpmB1 PRO 506 HD2 0.56 0.22 -0.06 -0.04 3.68 4.36 1fpmB1 PRO 506 HD3 0.25 0.30 -0.50 -0.04 3.65 3.67 1fpmB1 ARG 507 H 0.11 0.08 0.23 -0.55 8.46 8.33 1fpmB1 ARG 507 HA -0.23 0.33 0.96 -0.75 4.34 4.65 1fpmB1 ARG 507 HB2 -0.02 -0.07 0.06 -0.04 1.90 1.84 1fpmB1 ARG 507 HB3 -0.08 -0.06 0.16 -0.04 1.80 1.77 1fpmB1 ARG 507 HG2 -0.07 0.07 0.01 -0.04 1.67 1.65 1fpmB1 ARG 507 HG3 0.00 0.28 -0.10 -0.04 1.67 1.81 1fpmB1 ARG 507 HD2 0.00 -0.08 0.01 -0.04 3.22 3.11 1fpmB1 ARG 507 HD3 -0.03 -0.05 0.02 -0.04 3.22 3.13 1fpmB1 ASN 508 H -0.22 0.24 0.16 -0.55 8.53 8.17 1fpmB1 ASN 508 HA -0.12 0.04 0.41 -0.75 4.76 4.34 1fpmB1 ASN 508 HB2 -0.00 0.15 -0.03 -0.04 2.88 2.96 1fpmB1 ASN 508 HB3 -0.02 -0.02 0.14 -0.04 2.79 2.84 1fpmB1 ASN 508 HD21 -0.02 0.02 -0.08 -0.04 7.03 6.91 1fpmB1 ASN 508 HD22 0.00 0.08 -0.29 -0.04 7.74 7.49 1fpmB1 PHE 509 H -0.21 0.06 -1.16 -0.55 8.34 6.48 1fpmB1 PHE 509 HA 0.01 0.06 0.31 -0.75 4.62 4.25 1fpmB1 PHE 509 HB2 0.02 -0.17 0.14 -0.04 3.15 3.10 1fpmB1 PHE 509 HB3 0.02 0.06 -0.01 -0.04 3.06 3.09 1fpmB1 PHE 509 HD2 0.04 -0.08 -0.45 -0.04 7.28 6.75 1fpmB1 PHE 509 HE2 0.09 0.09 -0.35 -0.04 7.38 7.16 1fpmB1 PHE 509 HZ 0.14 0.07 -0.92 -0.04 7.32 6.58 1fpmB1 THR 510 H 0.41 0.25 0.16 -0.55 8.28 8.55 1fpmB1 THR 510 HA 0.28 0.03 0.52 -0.75 4.39 4.47 1fpmB1 THR 510 HB 0.10 -0.09 -0.13 -0.04 4.32 4.17 1fpmB1 THR 510 HG23 0.09 0.03 -0.25 -0.04 1.22 1.05 1fpmB1 ILE 511 H 0.15 0.54 0.30 -0.55 8.25 8.69 1fpmB1 ILE 511 HA -0.04 0.07 1.04 -0.75 4.18 4.50 1fpmB1 ILE 511 HB 0.04 0.03 0.12 -0.04 1.89 2.04 1fpmB1 ILE 511 HG12 0.19 -0.06 -0.10 -0.04 1.49 1.48 1fpmB1 ILE 511 HG13 -0.04 0.13 -0.00 -0.04 1.21 1.26 1fpmB1 ILE 511 HG23 -0.15 0.01 -0.07 -0.04 0.93 0.68 1fpmB1 ILE 511 HD13 -0.38 0.07 -0.05 -0.04 0.88 0.47 1fpmB1 THR 512 H -0.05 0.15 0.17 -0.55 8.28 8.00 1fpmB1 THR 512 HA -0.01 0.10 1.08 -0.75 4.39 4.81 1fpmB1 THR 512 HB -0.03 -0.04 0.02 -0.04 4.32 4.23 1fpmB1 THR 512 HG23 0.00 -0.01 -0.21 -0.04 1.22 0.97 1fpmB1 VAL 513 H -0.17 1.11 0.42 -0.55 8.24 9.06 1fpmB1 VAL 513 HA -0.14 0.18 0.97 -0.75 4.13 4.39 1fpmB1 VAL 513 HB -0.35 -0.01 -0.08 -0.04 2.12 1.64 1fpmB1 VAL 513 HG13 -1.09 -0.03 0.02 -0.04 0.97 -0.17 1fpmB1 VAL 513 HG23 -0.17 0.01 -0.17 -0.04 0.95 0.58 1fpmB1 ARG 514 H -0.06 0.40 0.34 -0.55 8.46 8.59 1fpmB1 ARG 514 HA -0.02 -0.09 0.73 -0.75 4.34 4.21 1fpmB1 ARG 514 HB2 -0.03 0.23 0.24 -0.04 1.90 2.30 1fpmB1 ARG 514 HB3 -0.02 -0.08 0.04 -0.04 1.80 1.71 1fpmB1 ARG 514 HG2 -0.02 -0.09 0.03 -0.04 1.67 1.55 1fpmB1 ARG 514 HG3 -0.03 -0.05 -0.08 -0.04 1.67 1.47 1fpmB1 ARG 514 HD2 -0.04 0.51 0.18 -0.04 3.22 3.84 1fpmB1 ARG 514 HD3 -0.02 -0.08 0.03 -0.04 3.22 3.11 1fpmB1 GLU 515 H -0.03 0.39 0.20 -0.55 8.60 8.62 1fpmB1 GLU 515 HA 0.00 0.11 0.89 -0.75 4.29 4.55 1fpmB1 GLU 515 HB2 0.00 -0.04 -0.05 -0.04 2.09 1.96 1fpmB1 GLU 515 HB3 0.01 0.04 -0.01 -0.04 1.99 1.99 1fpmB1 GLU 515 HG2 0.03 -0.22 0.04 -0.04 2.34 2.15 1fpmB1 GLU 515 HG3 0.01 0.01 0.01 -0.04 2.34 2.33 1fpmB1 VAL 516 H 0.05 0.13 0.02 -0.55 8.24 7.90 1fpmB1 VAL 516 HA 0.08 0.23 0.82 -0.75 4.13 4.50 1fpmB1 VAL 516 HB 0.09 -0.10 0.00 -0.04 2.12 2.07 1fpmB1 VAL 516 HG13 0.39 -0.00 -0.18 -0.04 0.97 1.13 1fpmB1 VAL 516 HG23 0.06 0.04 -0.11 -0.04 0.95 0.89 1fpmB1 ARG 517 H 0.09 0.43 0.26 -0.55 8.46 8.69 1fpmB1 ARG 517 HA 0.20 0.09 0.85 -0.75 4.34 4.73 1fpmB1 ARG 517 HB2 0.05 -0.00 0.14 -0.04 1.90 2.05 1fpmB1 ARG 517 HB3 0.06 0.07 0.04 -0.04 1.80 1.93 1fpmB1 ARG 517 HG2 0.07 -0.07 -0.12 -0.04 1.67 1.51 1fpmB1 ARG 517 HG3 0.05 -0.02 0.01 -0.04 1.67 1.67 1fpmB1 ARG 517 HD2 0.04 0.07 0.02 -0.04 3.22 3.31 1fpmB1 ARG 517 HD3 0.03 -0.01 -0.01 -0.04 3.22 3.20 1fpmB1 LEU 518 H 0.13 0.15 0.21 -0.55 8.37 8.32 1fpmB1 LEU 518 HA -0.27 0.13 0.79 -0.75 4.35 4.25 1fpmB1 LEU 518 HB2 -1.59 0.05 0.07 -0.04 1.64 0.13 1fpmB1 LEU 518 HB3 -0.23 -0.02 0.19 -0.04 1.64 1.53 1fpmB1 LEU 518 HG -0.34 -0.16 -0.46 -0.04 1.64 0.64 1fpmB1 LEU 518 HD13 -0.31 0.04 -0.05 -0.04 0.93 0.57 1fpmB1 LEU 518 HD23 -0.84 0.00 0.01 -0.04 0.89 0.02 1fpmB1 SER 519 H -0.08 0.57 0.20 -0.55 8.46 8.60 1fpmB1 SER 519 HA 0.01 0.16 0.90 -0.75 4.49 4.81 1fpmB1 SER 519 HB2 0.03 0.04 0.00 -0.04 3.95 3.99 1fpmB1 SER 519 HB3 0.06 -0.05 -0.02 -0.04 3.93 3.87 1fpmB1 ALA 520 H -0.09 0.17 -0.06 -0.55 8.40 7.86 1fpmB1 ALA 520 HA 0.08 0.18 0.33 -0.75 4.34 4.18 1fpmB1 ALA 520 HB3 -0.04 -0.05 0.09 -0.04 1.41 1.37 1fpmB1 GLY 521 H 0.06 0.34 -1.28 -0.55 8.43 7.00 1fpmB1 GLY 521 HA2 0.07 0.29 0.74 -0.51 4.01 4.59 1fpmB1 GLY 521 HA3 0.12 -0.07 0.29 -0.51 4.01 3.84 1fpmB1 GLY 522 H 0.03 0.23 -0.17 -0.55 8.43 7.98 1fpmB1 GLY 522 HA2 0.03 0.04 0.29 -0.51 4.01 3.87 1fpmB1 GLY 522 HA3 0.08 0.02 0.75 -0.51 4.01 4.35 1fpmB1 ARG 523 H 0.08 0.03 0.02 -0.55 8.46 8.04 1fpmB1 ARG 523 HA 0.09 0.29 1.01 -0.75 4.34 4.97 1fpmB1 ARG 523 HB2 0.11 -0.40 -0.17 -0.04 1.90 1.40 1fpmB1 ARG 523 HB3 0.17 0.09 -0.12 -0.04 1.80 1.89 1fpmB1 ARG 523 HG2 0.11 0.01 -0.23 -0.04 1.67 1.52 1fpmB1 ARG 523 HG3 0.13 0.03 -0.08 -0.04 1.67 1.70 1fpmB1 ARG 523 HD2 0.08 0.05 -0.23 -0.04 3.22 3.07 1fpmB1 ARG 523 HD3 0.08 0.00 -0.11 -0.04 3.22 3.15 1fpmB1 LEU 524 H 0.08 0.19 -0.08 -0.55 8.37 8.02 1fpmB1 LEU 524 HA -0.01 0.08 0.98 -0.75 4.35 4.65 1fpmB1 LEU 524 HB2 0.06 0.15 0.13 -0.04 1.64 1.95 1fpmB1 LEU 524 HB3 0.05 -0.02 -0.12 -0.04 1.64 1.51 1fpmB1 LEU 524 HG -0.00 -0.03 -0.48 -0.04 1.64 1.09 1fpmB1 LEU 524 HD13 0.08 0.11 -0.03 -0.04 0.93 1.04 1fpmB1 LEU 524 HD23 -0.22 -0.01 -0.02 -0.04 0.89 0.60 1fpmB1 ILE 525 H 0.03 0.59 0.26 -0.55 8.25 8.58 1fpmB1 ILE 525 HA 0.07 0.38 0.87 -0.75 4.18 4.75 1fpmB1 ILE 525 HB 0.05 -0.15 0.19 -0.04 1.89 1.94 1fpmB1 ILE 525 HG12 0.04 0.09 0.06 -0.04 1.49 1.63 1fpmB1 ILE 525 HG13 0.05 -0.05 -0.01 -0.04 1.21 1.16 1fpmB1 ILE 525 HG23 0.08 -0.01 0.02 -0.04 0.93 0.98 1fpmB1 ILE 525 HD13 0.07 0.10 -0.18 -0.04 0.88 0.83 1fpmB1 VAL 526 H 0.06 0.39 0.11 -0.55 8.24 8.25 1fpmB1 VAL 526 HA 0.04 0.17 0.87 -0.75 4.13 4.45 1fpmB1 VAL 526 HB 0.03 0.02 -0.04 -0.04 2.12 2.10 1fpmB1 VAL 526 HG13 0.05 -0.02 -0.02 -0.04 0.97 0.94 1fpmB1 VAL 526 HG23 -0.10 0.00 -0.11 -0.04 0.95 0.70 1fpmB1 PRO 527 HA -0.00 0.27 0.71 -0.51 4.44 4.91 1fpmB1 PRO 527 HB2 -0.00 0.03 -0.05 -0.04 2.28 2.22 1fpmB1 PRO 527 HB3 0.02 0.02 0.00 -0.04 2.02 2.03 1fpmB1 PRO 527 HG2 0.00 -0.17 -0.07 -0.04 2.03 1.75 1fpmB1 PRO 527 HG3 0.03 -0.01 -0.11 -0.04 2.03 1.89 1fpmB1 PRO 527 HD2 0.03 0.20 -0.06 -0.04 3.68 3.82 1fpmB1 PRO 527 HD3 0.04 0.17 -0.15 -0.04 3.65 3.67 1fpmB1 ILE 528 H -0.04 0.55 0.31 -0.55 8.25 8.52 1fpmB1 ILE 528 HA -0.08 0.13 0.97 -0.75 4.18 4.45 1fpmB1 ILE 528 HB -0.10 -0.18 0.35 -0.04 1.89 1.93 1fpmB1 ILE 528 HG12 -0.09 0.10 -0.22 -0.04 1.49 1.24 1fpmB1 ILE 528 HG13 -0.16 -0.02 -0.06 -0.04 1.21 0.93 1fpmB1 ILE 528 HG23 -0.11 0.05 0.11 -0.04 0.93 0.93 1fpmB1 ILE 528 HD13 -0.11 0.05 -0.27 -0.04 0.88 0.51 1fpmB1 THR 529 H -0.08 -0.00 0.26 -0.55 8.28 7.91 1fpmB1 THR 529 HA -0.05 0.18 0.66 -0.75 4.39 4.43 1fpmB1 THR 529 HB -0.05 -0.11 0.22 -0.04 4.32 4.33 1fpmB1 THR 529 HG23 -0.06 0.02 0.09 -0.04 1.22 1.24 1fpmB1 GLY 530 H -0.03 0.15 0.10 -0.55 8.43 8.10 1fpmB1 GLY 530 HA2 -0.01 0.20 0.43 -0.51 4.01 4.11 1fpmB1 GLY 530 HA3 -0.02 0.05 0.40 -0.51 4.01 3.94 1fpmB1 ALA 531 H -0.02 0.49 -0.56 -0.55 8.40 7.77 1fpmB1 ALA 531 HA 0.01 0.04 0.36 -0.75 4.34 3.99 1fpmB1 ALA 531 HB3 -0.00 0.02 -0.09 -0.04 1.41 1.30 1fpmB1 ILE 532 H 0.02 0.60 -0.60 -0.55 8.25 7.73 1fpmB1 ILE 532 HA 0.05 0.22 0.74 -0.75 4.18 4.43 1fpmB1 ILE 532 HB 0.01 0.00 -0.11 -0.04 1.89 1.76 1fpmB1 ILE 532 HG12 -0.00 -0.05 0.18 -0.04 1.49 1.58 1fpmB1 ILE 532 HG13 0.00 0.03 0.07 -0.04 1.21 1.27 1fpmB1 ILE 532 HG23 0.01 0.02 -0.05 -0.04 0.93 0.87 1fpmB1 ILE 532 HD13 -0.00 0.02 0.00 -0.04 0.88 0.86 1fpmB1 MET 533 H 0.10 0.11 -0.39 -0.55 8.47 7.74 1fpmB1 MET 533 HA 0.06 0.17 0.41 -0.75 4.52 4.41 1fpmB1 MET 533 HB2 0.07 0.03 0.06 -0.04 2.15 2.28 1fpmB1 MET 533 HB3 0.16 -0.02 0.07 -0.04 2.03 2.20 1fpmB1 MET 533 HG2 0.08 -0.02 0.01 -0.04 2.63 2.67 1fpmB1 MET 533 HG3 0.13 -0.07 -0.02 -0.04 2.56 2.56 1fpmB1 MET 533 HE3 0.02 -0.01 -0.00 -0.04 2.10 2.07 1fpmB1 THR 534 H 0.02 0.84 -0.35 -0.55 8.28 8.24 1fpmB1 THR 534 HA -0.23 0.02 0.38 -0.75 4.39 3.82 1fpmB1 THR 534 HB -0.22 -0.03 0.20 -0.04 4.32 4.23 1fpmB1 THR 534 HG23 -0.13 -0.01 -0.04 -0.04 1.22 0.99 1fpmB1 MET 535 H 0.04 0.08 -0.93 -0.55 8.47 7.10 1fpmB1 MET 535 HA 0.00 -0.08 0.48 -0.75 4.52 4.17 1fpmB1 MET 535 HB2 -0.02 0.06 -0.14 -0.04 2.15 2.01 1fpmB1 MET 535 HB3 0.01 0.02 0.15 -0.04 2.03 2.17 1fpmB1 MET 535 HG2 0.00 -0.16 -0.14 -0.04 2.63 2.28 1fpmB1 MET 535 HG3 0.03 0.12 -0.08 -0.04 2.56 2.59 1fpmB1 MET 535 HE3 0.02 -0.08 -0.11 -0.04 2.10 1.89 1fpmB1 PRO 536 HA 0.05 0.12 0.41 -0.51 4.44 4.51 1fpmB1 PRO 536 HB2 0.06 -0.06 -0.09 -0.04 2.28 2.15 1fpmB1 PRO 536 HB3 0.06 0.04 0.07 -0.04 2.02 2.16 1fpmB1 PRO 536 HG2 0.13 -0.01 -0.03 -0.04 2.03 2.08 1fpmB1 PRO 536 HG3 0.15 0.13 -0.00 -0.04 2.03 2.27 1fpmB1 PRO 536 HD2 0.08 0.02 0.01 -0.04 3.68 3.74 1fpmB1 PRO 536 HD3 0.12 0.16 -0.06 -0.04 3.65 3.83 1fpmB1 GLY 537 H 0.03 0.21 0.05 -0.55 8.43 8.16 1fpmB1 GLY 537 HA2 0.02 0.14 0.51 -0.51 4.01 4.17 1fpmB1 GLY 537 HA3 0.01 0.04 0.23 -0.51 4.01 3.79 1fpmB1 LEU 538 H 0.02 0.30 0.20 -0.55 8.37 8.34 1fpmB1 LEU 538 HA 0.03 -0.03 0.38 -0.75 4.35 3.97 1fpmB1 LEU 538 HB2 0.02 0.08 0.04 -0.04 1.64 1.73 1fpmB1 LEU 538 HB3 0.03 0.01 0.22 -0.04 1.64 1.86 1fpmB1 LEU 538 HG 0.02 0.24 0.28 -0.04 1.64 2.14 1fpmB1 LEU 538 HD13 0.01 -0.01 0.03 -0.04 0.93 0.91 1fpmB1 LEU 538 HD23 0.06 -0.06 0.03 -0.04 0.89 0.88 1fpmB1 PRO 539 HA 0.01 0.18 0.64 -0.51 4.44 4.75 1fpmB1 PRO 539 HB2 0.01 -0.15 -0.07 -0.04 2.28 2.04 1fpmB1 PRO 539 HB3 0.01 0.04 0.11 -0.04 2.02 2.14 1fpmB1 PRO 539 HG2 0.01 0.19 -0.00 -0.04 2.03 2.19 1fpmB1 PRO 539 HG3 0.01 0.04 -0.02 -0.04 2.03 2.02 1fpmB1 PRO 539 HD2 0.02 0.08 0.17 -0.04 3.68 3.91 1fpmB1 PRO 539 HD3 0.03 -0.03 0.22 -0.04 3.65 3.82 1fpmB1 LYS 540 H 0.01 0.14 0.14 -0.55 8.42 8.15 1fpmB1 LYS 540 HA 0.01 0.14 0.53 -0.75 4.32 4.24 1fpmB1 LYS 540 HB2 0.00 0.03 0.14 -0.04 1.87 2.00 1fpmB1 LYS 540 HB3 0.00 -0.02 0.13 -0.04 1.79 1.86 1fpmB1 LYS 540 HG2 0.00 -0.04 -0.04 -0.04 1.46 1.34 1fpmB1 LYS 540 HG3 0.00 0.05 -0.34 -0.04 1.46 1.13 1fpmB1 LYS 540 HD2 0.00 0.00 -0.02 -0.04 1.69 1.63 1fpmB1 LYS 540 HD3 0.00 0.01 0.02 -0.04 1.68 1.67 1fpmB1 LYS 540 HE2 -0.00 -0.00 0.03 -0.04 2.99 2.98 1fpmB1 LYS 540 HE3 -0.00 -0.01 0.02 -0.04 2.99 2.95 1fpmB1 ARG 541 H 0.01 -0.02 -0.44 -0.55 8.46 7.46 1fpmB1 ARG 541 HA 0.01 0.21 0.75 -0.75 4.34 4.56 1fpmB1 ARG 541 HB2 0.01 0.01 -0.07 -0.04 1.90 1.81 1fpmB1 ARG 541 HB3 0.01 -0.06 0.13 -0.04 1.80 1.83 1fpmB1 ARG 541 HG2 0.01 0.01 -0.04 -0.04 1.67 1.61 1fpmB1 ARG 541 HG3 0.01 0.05 0.01 -0.04 1.67 1.69 1fpmB1 ARG 541 HD2 0.01 -0.04 0.02 -0.04 3.22 3.16 1fpmB1 ARG 541 HD3 0.01 -0.00 -0.00 -0.04 3.22 3.18 1fpmB1 PRO 542 HA 0.03 0.25 0.70 -0.51 4.44 4.91 1fpmB1 PRO 542 HB2 0.04 -0.22 0.15 -0.04 2.28 2.21 1fpmB1 PRO 542 HB3 0.04 0.08 0.30 -0.04 2.02 2.40 1fpmB1 PRO 542 HG2 0.02 0.01 0.07 -0.04 2.03 2.08 1fpmB1 PRO 542 HG3 0.02 0.30 0.06 -0.04 2.03 2.37 1fpmB1 PRO 542 HD2 0.02 0.07 0.07 -0.04 3.68 3.79 1fpmB1 PRO 542 HD3 0.01 0.15 -0.78 -0.04 3.65 2.99 1fpmB1 ALA 543 H 0.04 0.39 0.07 -0.55 8.40 8.35 1fpmB1 ALA 543 HA 0.03 0.12 0.38 -0.75 4.34 4.11 1fpmB1 ALA 543 HB3 0.01 0.00 -0.07 -0.04 1.41 1.31 1fpmB1 ALA 544 H 0.09 0.28 -0.25 -0.55 8.40 7.98 1fpmB1 ALA 544 HA 0.19 0.02 0.48 -0.75 4.34 4.27 1fpmB1 ALA 544 HB3 0.10 0.01 0.13 -0.04 1.41 1.61 1fpmB1 CYS 545 H 0.04 0.14 -0.14 -0.55 8.50 8.00 1fpmB1 CYS 545 HA 0.03 0.02 0.33 -0.75 4.58 4.21 1fpmB1 CYS 545 HB2 0.02 0.18 0.07 -0.04 2.97 3.21 1fpmB1 CYS 545 HB3 0.02 -0.00 0.01 -0.04 2.97 2.96 1fpmB1 ASN 546 H 0.04 0.07 -0.90 -0.55 8.53 7.20 1fpmB1 ASN 546 HA 0.02 0.15 0.79 -0.75 4.76 4.97 1fpmB1 ASN 546 HB2 0.02 -0.01 -0.07 -0.04 2.88 2.78 1fpmB1 ASN 546 HB3 0.02 0.03 0.00 -0.04 2.79 2.81 1fpmB1 ASN 546 HD21 0.01 -0.05 -0.00 -0.04 7.03 6.95 1fpmB1 ASN 546 HD22 0.02 0.00 -0.06 -0.04 7.74 7.66 1fpmB1 ILE 547 H 0.06 0.32 -0.02 -0.55 8.25 8.07 1fpmB1 ILE 547 HA 0.04 0.08 0.62 -0.75 4.18 4.17 1fpmB1 ILE 547 HB 0.14 0.04 0.14 -0.04 1.89 2.16 1fpmB1 ILE 547 HG12 0.03 -0.13 -0.28 -0.04 1.49 1.07 1fpmB1 ILE 547 HG13 0.06 0.57 0.00 -0.04 1.21 1.80 1fpmB1 ILE 547 HG23 0.10 -0.07 -0.26 -0.04 0.93 0.66 1fpmB1 ILE 547 HD13 0.05 -0.03 -0.13 -0.04 0.88 0.73 1fpmB1 ASP 548 H 0.04 0.37 0.30 -0.55 8.40 8.55 1fpmB1 ASP 548 HA 0.04 0.13 0.69 -0.75 4.63 4.73 1fpmB1 ASP 548 HB2 0.03 0.13 -0.24 -0.04 2.71 2.59 1fpmB1 ASP 548 HB3 0.02 -0.04 -0.02 -0.04 2.70 2.62 1fpmB1 ILE 549 H 0.03 0.26 0.04 -0.55 8.25 8.04 1fpmB1 ILE 549 HA 0.03 0.02 0.84 -0.75 4.18 4.31 1fpmB1 ILE 549 HB 0.05 -0.08 -0.03 -0.04 1.89 1.79 1fpmB1 ILE 549 HG12 0.03 0.24 -0.60 -0.04 1.49 1.12 1fpmB1 ILE 549 HG13 0.03 -0.10 -0.26 -0.04 1.21 0.84 1fpmB1 ILE 549 HG23 0.04 0.00 -0.00 -0.04 0.93 0.93 1fpmB1 ILE 549 HD13 0.03 -0.01 -0.08 -0.04 0.88 0.78 1fpmB1 ASP 550 H 0.02 0.35 -0.22 -0.55 8.40 8.00 1fpmB1 ASP 550 HA 0.02 0.09 0.30 -0.75 4.63 4.28 1fpmB1 ASP 550 HB2 0.02 0.36 0.16 -0.04 2.71 3.20 1fpmB1 ASP 550 HB3 0.01 -0.37 0.05 -0.04 2.70 2.35 1fpmB1 ALA 551 H 0.01 0.16 0.11 -0.55 8.40 8.13 1fpmB1 ALA 551 HA 0.01 0.12 0.35 -0.75 4.34 4.07 1fpmB1 ALA 551 HB3 0.01 0.00 0.11 -0.04 1.41 1.49 1fpmB1 ASP 552 H 0.01 -0.33 -1.86 -0.55 8.40 5.68 1fpmB1 ASP 552 HA 0.01 0.18 0.72 -0.75 4.63 4.79 1fpmB1 ASP 552 HB2 0.01 -0.16 0.11 -0.04 2.71 2.63 1fpmB1 ASP 552 HB3 0.01 0.03 0.03 -0.04 2.70 2.72 1fpmB1 GLY 553 H 0.01 0.12 0.11 -0.55 8.43 8.12 1fpmB1 GLY 553 HA2 0.02 0.23 1.01 -0.51 4.01 4.76 1fpmB1 GLY 553 HA3 0.02 0.04 0.28 -0.51 4.01 3.84 1fpmB1 VAL 554 H 0.03 0.11 0.17 -0.55 8.24 7.99 1fpmB1 VAL 554 HA 0.03 0.08 0.49 -0.75 4.13 3.98 1fpmB1 VAL 554 HB 0.02 -0.02 0.02 -0.04 2.12 2.10 1fpmB1 VAL 554 HG13 0.02 -0.01 -0.06 -0.04 0.97 0.88 1fpmB1 VAL 554 HG23 0.04 0.01 0.08 -0.04 0.95 1.03 1fpmB1 ILE 555 H 0.02 0.44 0.28 -0.55 8.25 8.44 1fpmB1 ILE 555 HA 0.01 0.05 0.83 -0.75 4.18 4.32 1fpmB1 ILE 555 HB 0.01 0.08 -0.11 -0.04 1.89 1.84 1fpmB1 ILE 555 HG12 0.01 0.03 -0.10 -0.04 1.49 1.40 1fpmB1 ILE 555 HG13 0.01 -0.02 0.09 -0.04 1.21 1.24 1fpmB1 ILE 555 HG23 0.02 0.07 0.08 -0.04 0.93 1.06 1fpmB1 ILE 555 HD13 0.01 -0.01 0.01 -0.04 0.88 0.85 1fpmB1 THR 556 H 0.00 0.14 0.10 -0.55 8.28 7.97 1fpmB1 THR 556 HA 0.00 0.02 0.33 -0.75 4.39 3.98 1fpmB1 THR 556 HB 0.02 0.65 0.91 -0.04 4.32 5.86 1fpmB1 THR 556 HG23 0.01 -0.02 -0.17 -0.04 1.22 1.01 1fpmB1 GLY 557 H -0.00 -0.02 -0.19 -0.55 8.43 7.66 1fpmB1 GLY 557 HA2 -0.05 0.22 0.15 -0.51 4.01 3.82 1fpmB1 GLY 557 HA3 -0.04 0.00 0.11 -0.51 4.01 3.57