============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 50 rings ring int. center anis. iso. TYR 13 0.840 122.913 29.795 -10.139 -99.200 -91.000 PHE 18 1.000 110.475 35.321 -7.207 -99.200 -91.000 PHE 20 1.000 103.191 36.720 -7.415 -99.200 -91.000 PHE 27 1.000 106.926 30.980 -8.364 -99.200 -91.000 TYR 28 0.840 103.348 33.973 -15.130 -99.200 -91.000 TYR 38 0.840 106.252 25.848 -8.537 -99.200 -91.000 PHE 45 1.000 110.104 26.161 -11.103 -99.200 -91.000 PHE 48 1.000 104.054 33.552 -19.884 -99.200 -91.000 TYR 50 0.840 111.370 30.942 -24.741 -99.200 -91.000 TYR 54 0.840 117.077 36.480 -33.312 -99.200 -91.000 TRP 55 1.040 116.417 30.707 -24.372 -99.200 -91.000 TRP6 55 1.020 115.630 28.488 -24.369 -99.200 -91.000 PHE 59 1.000 125.049 29.343 -27.657 -99.200 -91.000 TYR 76 0.840 119.767 40.912 -14.985 -99.200 -91.000 TYR 80 0.840 100.872 38.471 -16.265 -99.200 -91.000 TYR 87 0.840 103.898 46.417 -20.582 -99.200 -91.000 TYR 92 0.840 123.246 41.005 -22.511 -99.200 -91.000 TYR 93 0.840 117.783 39.820 -27.342 -99.200 -91.000 HIS 94 0.900 118.278 46.780 -25.214 -99.200 -91.000 HIS 104 0.900 111.050 33.045 -29.304 -99.200 -91.000 PHE 117 1.000 116.202 52.018 -22.853 -99.200 -91.000 TRP 119 1.040 121.856 45.046 -16.163 -99.200 -91.000 TRP6 119 1.020 123.610 44.612 -14.643 -99.200 -91.000 TYR 121 0.840 119.127 45.169 -11.814 -99.200 -91.000 TYR 133 0.840 105.658 55.231 -14.125 -99.200 -91.000 PHE 134 1.000 111.806 51.619 -19.368 -99.200 -91.000 TYR 141 0.840 131.381 50.103 -17.078 -99.200 -91.000 TYR 160 0.840 106.257 51.787 -24.448 -99.200 -91.000 HIS 174 0.900 126.274 56.341 -6.353 -99.200 -91.000 PHE 187 1.000 104.962 57.636 -3.819 -99.200 -91.000 PHE 193 1.000 124.006 47.580 -4.264 -99.200 -91.000 HIS 196 0.900 124.904 52.329 1.286 -99.200 -91.000 TYR 201 0.840 110.202 62.227 -11.595 -99.200 -91.000 TRP 202 1.040 105.399 63.722 -5.206 -99.200 -91.000 TRP6 202 1.020 106.944 64.296 -3.556 -99.200 -91.000 HIS 230 0.900 102.118 50.027 4.553 -99.200 -91.000 PHE 231 1.000 105.760 52.098 -1.842 -99.200 -91.000 TRP 232 1.040 107.461 43.536 1.983 -99.200 -91.000 TRP6 232 1.020 108.762 43.125 3.918 -99.200 -91.000 HIS 243 0.900 134.611 40.844 -4.625 -99.200 -91.000 PHE 253 1.000 110.546 51.766 1.348 -99.200 -91.000 PHE 256 1.000 103.000 59.789 4.479 -99.200 -91.000 PHE 269 1.000 117.074 32.498 0.242 -99.200 -91.000 HIS 273 0.900 126.283 41.322 -2.299 -99.200 -91.000 PHE 274 1.000 117.212 40.096 -0.018 -99.200 -91.000 HIS 280 0.900 100.476 37.508 -5.096 -99.200 -91.000 TYR 285 0.840 106.104 34.255 -3.964 -99.200 -91.000 PHE 290 1.000 123.265 33.241 -3.323 -99.200 -91.000 HIS 291 0.900 119.741 28.781 -3.012 -99.200 -91.000 TYR 299 0.840 104.569 39.587 6.440 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2fpbB1 PRO 29 HA -0.00 -0.04 0.15 -0.51 4.44 4.03 2fpbB1 PRO 29 HB2 -0.00 -0.01 0.14 -0.04 2.28 2.36 2fpbB1 PRO 29 HB3 -0.00 -0.01 0.06 -0.04 2.02 2.02 2fpbB1 PRO 29 HG2 -0.00 -0.00 0.04 -0.04 2.03 2.02 2fpbB1 PRO 29 HG3 -0.00 -0.01 0.03 -0.04 2.03 2.00 2fpbB1 PRO 29 HD2 -0.00 0.00 -0.06 -0.04 3.68 3.57 2fpbB1 PRO 29 HD3 -0.00 -0.01 0.01 -0.04 3.65 3.60 2fpbB1 ILE 30 H -0.00 0.17 0.06 -0.55 8.25 7.93 2fpbB1 ILE 30 HA -0.01 0.21 1.04 -0.75 4.18 4.67 2fpbB1 ILE 30 HB -0.01 -0.02 0.01 -0.04 1.89 1.84 2fpbB1 ILE 30 HG12 -0.01 0.10 -0.28 -0.04 1.49 1.26 2fpbB1 ILE 30 HG13 -0.00 -0.08 -0.21 -0.04 1.21 0.88 2fpbB1 ILE 30 HG23 -0.01 0.04 -0.02 -0.04 0.93 0.90 2fpbB1 ILE 30 HD13 -0.01 -0.00 -0.04 -0.04 0.88 0.79 2fpbB1 LEU 31 H -0.01 0.17 0.09 -0.55 8.37 8.08 2fpbB1 LEU 31 HA -0.01 0.03 0.40 -0.75 4.35 4.02 2fpbB1 LEU 31 HB2 -0.01 -0.01 0.11 -0.04 1.64 1.69 2fpbB1 LEU 31 HB3 -0.01 0.03 0.05 -0.04 1.64 1.67 2fpbB1 LEU 31 HG -0.01 -0.02 -0.02 -0.04 1.64 1.56 2fpbB1 LEU 31 HD13 -0.01 0.00 -0.15 -0.04 0.93 0.73 2fpbB1 LEU 31 HD23 -0.01 -0.01 0.00 -0.04 0.89 0.83 2fpbB1 LYS 32 H -0.01 0.05 0.29 -0.55 8.42 8.19 2fpbB1 LYS 32 HA -0.01 0.26 1.14 -0.75 4.32 4.95 2fpbB1 LYS 32 HB2 -0.01 -0.03 0.18 -0.04 1.87 1.97 2fpbB1 LYS 32 HB3 -0.01 0.01 0.07 -0.04 1.79 1.82 2fpbB1 LYS 32 HG2 -0.00 0.09 -0.15 -0.04 1.46 1.35 2fpbB1 LYS 32 HG3 -0.00 0.06 -0.15 -0.04 1.46 1.33 2fpbB1 LYS 32 HD2 0.01 0.04 0.03 -0.04 1.69 1.73 2fpbB1 LYS 32 HD3 0.00 -0.03 -0.01 -0.04 1.68 1.60 2fpbB1 LYS 32 HE2 -0.00 -0.01 0.02 -0.04 2.99 2.96 2fpbB1 LYS 32 HE3 0.00 0.00 0.02 -0.04 2.99 2.97 2fpbB1 GLU 33 H -0.02 0.05 0.26 -0.55 8.60 8.34 2fpbB1 GLU 33 HA -0.04 0.31 1.17 -0.75 4.29 4.98 2fpbB1 GLU 33 HB2 -0.02 -0.05 0.12 -0.04 2.09 2.11 2fpbB1 GLU 33 HB3 -0.01 0.06 0.01 -0.04 1.99 2.01 2fpbB1 GLU 33 HG2 -0.01 0.06 -0.02 -0.04 2.34 2.33 2fpbB1 GLU 33 HG3 -0.01 -0.13 -0.17 -0.04 2.34 1.99 2fpbB1 ILE 34 H -0.05 0.72 0.34 -0.55 8.25 8.71 2fpbB1 ILE 34 HA -0.01 0.12 0.75 -0.75 4.18 4.29 2fpbB1 ILE 34 HB -0.01 0.03 0.09 -0.04 1.89 1.96 2fpbB1 ILE 34 HG12 -0.02 -0.02 -0.14 -0.04 1.49 1.27 2fpbB1 ILE 34 HG13 -0.04 -0.02 -0.43 -0.04 1.21 0.69 2fpbB1 ILE 34 HG23 -0.06 0.01 -0.21 -0.04 0.93 0.62 2fpbB1 ILE 34 HD13 0.02 -0.01 -0.12 -0.04 0.88 0.72 2fpbB1 LEU 35 H 0.01 0.21 0.12 -0.55 8.37 8.16 2fpbB1 LEU 35 HA 0.05 0.40 1.11 -0.75 4.35 5.16 2fpbB1 LEU 35 HB2 0.02 -0.04 0.11 -0.04 1.64 1.68 2fpbB1 LEU 35 HB3 0.06 -0.00 -0.07 -0.04 1.64 1.59 2fpbB1 LEU 35 HG -0.01 -0.07 -0.31 -0.04 1.64 1.21 2fpbB1 LEU 35 HD13 -0.08 0.00 -0.05 -0.04 0.93 0.76 2fpbB1 LEU 35 HD23 0.04 0.04 -0.02 -0.04 0.89 0.91 2fpbB1 ILE 36 H 0.07 0.80 0.21 -0.55 8.25 8.78 2fpbB1 ILE 36 HA 0.07 0.14 0.91 -0.75 4.18 4.54 2fpbB1 ILE 36 HB 0.05 -0.04 0.08 -0.04 1.89 1.94 2fpbB1 ILE 36 HG12 -0.01 0.02 -0.15 -0.04 1.49 1.31 2fpbB1 ILE 36 HG13 -0.00 -0.07 -0.46 -0.04 1.21 0.63 2fpbB1 ILE 36 HG23 -0.18 0.01 -0.22 -0.04 0.93 0.50 2fpbB1 ILE 36 HD13 -0.07 -0.00 -0.17 -0.04 0.88 0.60 2fpbB1 GLU 37 H 0.11 0.15 0.12 -0.55 8.60 8.44 2fpbB1 GLU 37 HA 0.06 0.06 0.63 -0.75 4.29 4.29 2fpbB1 GLU 37 HB2 0.06 -0.06 0.04 -0.04 2.09 2.09 2fpbB1 GLU 37 HB3 0.08 -0.05 0.14 -0.04 1.99 2.12 2fpbB1 GLU 37 HG2 0.01 0.16 -0.27 -0.04 2.34 2.20 2fpbB1 GLU 37 HG3 0.01 0.08 0.02 -0.04 2.34 2.41 2fpbB1 ALA 38 H -0.05 0.56 0.44 -0.55 8.40 8.80 2fpbB1 ALA 38 HA -1.01 0.07 0.53 -0.75 4.34 3.18 2fpbB1 ALA 38 HB3 -0.26 -0.01 -0.05 -0.04 1.41 1.04 2fpbB1 PRO 39 HA -0.09 0.16 0.62 -0.51 4.44 4.63 2fpbB1 PRO 39 HB2 -0.06 -0.07 0.02 -0.04 2.28 2.13 2fpbB1 PRO 39 HB3 -0.07 0.05 0.06 -0.04 2.02 2.01 2fpbB1 PRO 39 HG2 -0.22 0.00 -0.12 -0.04 2.03 1.66 2fpbB1 PRO 39 HG3 -0.19 0.06 -0.04 -0.04 2.03 1.82 2fpbB1 PRO 39 HD2 -0.85 0.07 0.06 -0.04 3.68 2.92 2fpbB1 PRO 39 HD3 -1.95 0.14 0.12 -0.04 3.65 1.92 2fpbB1 SER 40 H -0.00 0.06 0.09 -0.55 8.46 8.06 2fpbB1 SER 40 HA 0.05 0.00 0.37 -0.75 4.49 4.15 2fpbB1 SER 40 HB2 0.03 -0.07 -0.01 -0.04 3.95 3.86 2fpbB1 SER 40 HB3 -0.00 0.11 0.27 -0.04 3.93 4.26 2fpbB1 TYR 41 H 0.05 0.14 0.23 -0.55 8.29 8.16 2fpbB1 TYR 41 HA -0.06 0.11 0.61 -0.75 4.56 4.47 2fpbB1 TYR 41 HB2 -0.03 0.14 -0.61 -0.04 3.06 2.52 2fpbB1 TYR 41 HB3 -0.02 -0.08 -0.16 -0.04 2.98 2.68 2fpbB1 TYR 41 HD2 -0.02 -0.01 -0.15 -0.04 7.15 6.93 2fpbB1 TYR 41 HE2 0.03 0.01 -0.10 -0.04 6.85 6.74 2fpbB1 ALA 42 H -0.56 0.49 0.18 -0.55 8.40 7.95 2fpbB1 ALA 42 HA -0.37 0.09 0.29 -0.75 4.34 3.60 2fpbB1 ALA 42 HB3 -0.23 0.02 -0.13 -0.04 1.41 1.03 2fpbB1 PRO 43 HA -0.16 0.34 0.62 -0.51 4.44 4.72 2fpbB1 PRO 43 HB2 0.06 -0.02 0.05 -0.04 2.28 2.33 2fpbB1 PRO 43 HB3 0.02 0.01 -0.03 -0.04 2.02 1.98 2fpbB1 PRO 43 HG2 0.05 -0.03 -0.36 -0.04 2.03 1.66 2fpbB1 PRO 43 HG3 -0.05 0.06 -0.17 -0.04 2.03 1.82 2fpbB1 PRO 43 HD2 -0.11 0.11 0.08 -0.04 3.68 3.72 2fpbB1 PRO 43 HD3 -0.17 -0.03 0.00 -0.04 3.65 3.41 2fpbB1 ASN 44 H -0.28 0.34 0.39 -0.55 8.53 8.44 2fpbB1 ASN 44 HA -0.13 -0.09 1.13 -0.75 4.76 4.93 2fpbB1 ASN 44 HB2 -0.05 -0.14 0.02 -0.04 2.88 2.67 2fpbB1 ASN 44 HB3 -0.09 0.20 -0.12 -0.04 2.79 2.75 2fpbB1 ASN 44 HD21 -0.17 0.14 0.08 -0.04 7.03 7.05 2fpbB1 ASN 44 HD22 -0.06 -0.12 0.00 -0.04 7.74 7.52 2fpbB1 SER 45 H -0.58 0.10 0.28 -0.55 8.46 7.71 2fpbB1 SER 45 HA -0.38 0.09 0.42 -0.75 4.49 3.86 2fpbB1 SER 45 HB2 -0.13 -0.03 0.17 -0.04 3.95 3.92 2fpbB1 SER 45 HB3 -0.14 0.20 0.19 -0.04 3.93 4.14 2fpbB1 PHE 46 H -0.04 0.29 0.25 -0.55 8.34 8.28 2fpbB1 PHE 46 HA -0.17 0.51 1.11 -0.75 4.62 5.33 2fpbB1 PHE 46 HB2 -0.23 -0.04 -0.02 -0.04 3.15 2.81 2fpbB1 PHE 46 HB3 -0.66 0.03 -0.00 -0.04 3.06 2.39 2fpbB1 PHE 46 HD2 -0.19 0.05 -0.19 -0.04 7.28 6.91 2fpbB1 PHE 46 HE2 -0.09 -0.01 -0.41 -0.04 7.38 6.83 2fpbB1 PHE 46 HZ -0.07 0.11 -0.21 -0.04 7.32 7.12 2fpbB1 THR 47 H -0.18 0.45 0.36 -0.55 8.28 8.36 2fpbB1 THR 47 HA -0.13 0.10 0.28 -0.75 4.39 3.90 2fpbB1 THR 47 HB 0.01 0.39 0.12 -0.04 4.32 4.79 2fpbB1 THR 47 HG23 0.01 -0.02 -0.36 -0.04 1.22 0.81 2fpbB1 PHE 48 H 0.13 0.26 0.21 -0.55 8.34 8.39 2fpbB1 PHE 48 HA 0.07 0.16 0.86 -0.75 4.62 4.96 2fpbB1 PHE 48 HB2 -0.27 -0.01 -0.03 -0.04 3.15 2.80 2fpbB1 PHE 48 HB3 -0.15 0.08 0.03 -0.04 3.06 2.97 2fpbB1 PHE 48 HD2 -0.20 0.12 -0.05 -0.04 7.28 7.11 2fpbB1 PHE 48 HE2 -0.33 0.03 -0.18 -0.04 7.38 6.86 2fpbB1 PHE 48 HZ -1.31 0.00 -0.15 -0.04 7.32 5.82 2fpbB1 ASP 49 H -0.00 0.16 0.11 -0.55 8.40 8.12 2fpbB1 ASP 49 HA -0.85 0.19 0.64 -0.75 4.63 3.86 2fpbB1 ASP 49 HB2 -0.61 -0.03 0.13 -0.04 2.71 2.15 2fpbB1 ASP 49 HB3 -0.98 0.09 -0.07 -0.04 2.70 1.70 2fpbB1 SER 50 H -0.18 0.17 0.16 -0.55 8.46 8.06 2fpbB1 SER 50 HA -0.02 0.10 0.34 -0.75 4.49 4.16 2fpbB1 SER 50 HB2 -0.01 0.02 0.00 -0.04 3.95 3.92 2fpbB1 SER 50 HB3 0.00 0.03 0.07 -0.04 3.93 3.99 2fpbB1 THR 51 H -0.05 0.01 -0.13 -0.55 8.28 7.57 2fpbB1 THR 51 HA -0.01 0.09 0.32 -0.75 4.39 4.04 2fpbB1 THR 51 HB -0.01 0.04 0.04 -0.04 4.32 4.35 2fpbB1 THR 51 HG23 -0.02 -0.01 0.03 -0.04 1.22 1.18 2fpbB1 ASN 52 H -0.01 -0.07 -0.47 -0.55 8.53 7.43 2fpbB1 ASN 52 HA 0.11 -0.01 0.23 -0.75 4.76 4.34 2fpbB1 ASN 52 HB2 0.04 0.13 -0.31 -0.04 2.88 2.71 2fpbB1 ASN 52 HB3 0.03 0.11 0.02 -0.04 2.79 2.91 2fpbB1 ASN 52 HD21 -0.04 -0.10 -0.01 -0.04 7.03 6.84 2fpbB1 ASN 52 HD22 0.02 0.02 -0.01 -0.04 7.74 7.73 2fpbB1 LYS 53 H -0.00 0.02 -0.19 -0.55 8.42 7.70 2fpbB1 LYS 53 HA 0.03 0.13 0.39 -0.75 4.32 4.12 2fpbB1 LYS 53 HB2 -0.06 -0.06 0.04 -0.04 1.87 1.75 2fpbB1 LYS 53 HB3 -0.05 0.04 0.08 -0.04 1.79 1.81 2fpbB1 LYS 53 HG2 -0.02 -0.02 0.07 -0.04 1.46 1.45 2fpbB1 LYS 53 HG3 -0.01 0.19 -0.29 -0.04 1.46 1.32 2fpbB1 LYS 53 HD2 -0.03 -0.07 -0.08 -0.04 1.69 1.47 2fpbB1 LYS 53 HD3 -0.04 -0.02 -0.02 -0.04 1.68 1.55 2fpbB1 LYS 53 HE2 -0.02 -0.01 -0.01 -0.04 2.99 2.90 2fpbB1 LYS 53 HE3 -0.02 0.09 -0.05 -0.04 2.99 2.98 2fpbB1 GLY 54 H 0.06 0.05 0.05 -0.55 8.43 8.05 2fpbB1 GLY 54 HA2 0.13 -0.07 0.26 -0.51 4.01 3.81 2fpbB1 GLY 54 HA3 -0.18 0.42 0.56 -0.51 4.01 4.30 2fpbB1 PHE 55 H -0.51 0.45 0.36 -0.55 8.34 8.09 2fpbB1 PHE 55 HA -0.29 0.14 0.88 -0.75 4.62 4.60 2fpbB1 PHE 55 HB2 -0.66 0.03 0.07 -0.04 3.15 2.55 2fpbB1 PHE 55 HB3 -0.04 0.03 -0.42 -0.04 3.06 2.59 2fpbB1 PHE 55 HD2 0.17 0.05 -0.36 -0.04 7.28 7.09 2fpbB1 PHE 55 HE2 0.11 -0.01 -0.19 -0.04 7.38 7.25 2fpbB1 PHE 55 HZ -0.08 0.00 -0.14 -0.04 7.32 7.05 2fpbB1 TYR 56 H 0.01 0.55 0.38 -0.55 8.29 8.68 2fpbB1 TYR 56 HA -0.08 0.17 0.97 -0.75 4.56 4.87 2fpbB1 TYR 56 HB2 -0.10 -0.06 -0.04 -0.04 3.06 2.81 2fpbB1 TYR 56 HB3 -0.10 0.00 -0.08 -0.04 2.98 2.76 2fpbB1 TYR 56 HD2 -0.33 0.09 -0.19 -0.04 7.15 6.68 2fpbB1 TYR 56 HE2 -0.99 -0.05 -0.13 -0.04 6.85 5.64 2fpbB1 THR 57 H 0.12 0.27 0.19 -0.55 8.28 8.31 2fpbB1 THR 57 HA -0.12 0.35 0.87 -0.75 4.39 4.74 2fpbB1 THR 57 HB 0.40 0.02 -0.27 -0.04 4.32 4.43 2fpbB1 THR 57 HG23 0.31 -0.01 -0.15 -0.04 1.22 1.33 2fpbB1 SER 58 H -0.24 0.18 0.25 -0.55 8.46 8.10 2fpbB1 SER 58 HA -0.11 0.17 0.82 -0.75 4.49 4.62 2fpbB1 SER 58 HB2 -0.17 0.22 0.02 -0.04 3.95 3.97 2fpbB1 SER 58 HB3 -0.13 -0.08 -0.10 -0.04 3.93 3.58 2fpbB1 VAL 59 H -0.11 0.43 0.23 -0.55 8.24 8.24 2fpbB1 VAL 59 HA -0.11 0.45 0.84 -0.75 4.13 4.55 2fpbB1 VAL 59 HB -0.05 -0.09 0.08 -0.04 2.12 2.02 2fpbB1 VAL 59 HG13 -0.10 0.04 -0.41 -0.04 0.97 0.45 2fpbB1 VAL 59 HG23 -0.05 -0.04 -0.18 -0.04 0.95 0.64 2fpbB1 GLN 60 H 0.02 0.53 0.31 -0.55 8.47 8.78 2fpbB1 GLN 60 HA -0.00 0.07 0.20 -0.75 4.36 3.88 2fpbB1 GLN 60 HB2 0.16 0.13 0.06 -0.04 2.15 2.46 2fpbB1 GLN 60 HB3 0.15 -0.08 0.14 -0.04 2.02 2.20 2fpbB1 GLN 60 HG2 0.19 0.00 -0.05 -0.04 2.40 2.50 2fpbB1 GLN 60 HG3 0.08 0.01 -0.16 -0.04 2.39 2.28 2fpbB1 GLN 60 HE21 0.12 -0.03 0.01 -0.04 6.97 7.02 2fpbB1 GLN 60 HE22 0.10 0.07 -0.00 -0.04 7.69 7.82 2fpbB1 ASP 61 H 0.08 -0.01 -0.04 -0.55 8.40 7.88 2fpbB1 ASP 61 HA 0.12 0.20 0.40 -0.75 4.63 4.60 2fpbB1 ASP 61 HB2 0.22 0.40 0.28 -0.04 2.71 3.56 2fpbB1 ASP 61 HB3 0.11 0.00 0.21 -0.04 2.70 2.98 2fpbB1 GLY 62 H 0.07 0.36 -0.53 -0.55 8.43 7.78 2fpbB1 GLY 62 HA2 0.09 -0.10 0.07 -0.51 4.01 3.56 2fpbB1 GLY 62 HA3 0.30 0.29 0.47 -0.51 4.01 4.57 2fpbB1 ARG 63 H -0.03 -0.01 -0.38 -0.55 8.46 7.48 2fpbB1 ARG 63 HA -0.50 0.21 0.73 -0.75 4.34 4.03 2fpbB1 ARG 63 HB2 -0.15 -0.09 -0.03 -0.04 1.90 1.58 2fpbB1 ARG 63 HB3 -0.31 0.04 0.02 -0.04 1.80 1.52 2fpbB1 ARG 63 HG2 -0.93 0.08 -0.03 -0.04 1.67 0.75 2fpbB1 ARG 63 HG3 -0.43 0.01 -0.12 -0.04 1.67 1.08 2fpbB1 ARG 63 HD2 -0.25 0.04 -0.08 -0.04 3.22 2.89 2fpbB1 ARG 63 HD3 -0.44 -0.01 -0.08 -0.04 3.22 2.65 2fpbB1 VAL 64 H -0.39 0.68 0.27 -0.55 8.24 8.25 2fpbB1 VAL 64 HA -0.09 0.25 0.45 -0.75 4.13 4.00 2fpbB1 VAL 64 HB -0.11 -0.09 0.05 -0.04 2.12 1.93 2fpbB1 VAL 64 HG13 0.09 0.01 -0.17 -0.04 0.97 0.86 2fpbB1 VAL 64 HG23 -0.11 0.01 -0.25 -0.04 0.95 0.56 2fpbB1 LYS 66 HA -0.43 -0.02 0.42 -0.75 4.32 3.54 2fpbB1 LYS 66 HB2 -0.34 -0.06 -0.05 -0.04 1.87 1.37 2fpbB1 LYS 66 HB3 -0.14 0.02 0.04 -0.04 1.79 1.68 2fpbB1 LYS 66 HG2 -0.43 -0.05 -0.45 -0.04 1.46 0.49 2fpbB1 LYS 66 HG3 -1.05 0.05 -0.15 -0.04 1.46 0.27 2fpbB1 LYS 66 HD2 -0.26 0.00 -0.10 -0.04 1.69 1.30 2fpbB1 LYS 66 HD3 -0.16 -0.01 -0.11 -0.04 1.68 1.35 2fpbB1 LYS 66 HE2 -0.30 0.03 -0.13 -0.04 2.99 2.54 2fpbB1 LYS 66 HE3 -0.49 -0.03 -0.11 -0.04 2.99 2.31 2fpbB1 TYR 67 H -0.64 0.64 0.29 -0.55 8.29 8.03 2fpbB1 TYR 67 HA -0.68 0.23 0.93 -0.75 4.56 4.29 2fpbB1 TYR 67 HB2 -1.25 0.01 -0.04 -0.04 3.06 1.75 2fpbB1 TYR 67 HB3 -1.87 -0.10 0.12 -0.04 2.98 1.09 2fpbB1 TYR 67 HD2 -1.21 0.00 -0.24 -0.04 7.15 5.66 2fpbB1 TYR 67 HE2 -0.21 0.00 -0.17 -0.04 6.85 6.43 2fpbB1 GLU 68 H -0.58 0.61 0.18 -0.55 8.60 8.26 2fpbB1 GLU 68 HA -0.36 0.13 0.52 -0.75 4.29 3.83 2fpbB1 GLU 68 HB2 -0.31 -0.12 0.01 -0.04 2.09 1.63 2fpbB1 GLU 68 HB3 -0.23 -0.04 -0.01 -0.04 1.99 1.67 2fpbB1 GLU 68 HG2 -0.28 0.13 -0.05 -0.04 2.34 2.09 2fpbB1 GLU 68 HG3 -0.19 0.02 -0.12 -0.04 2.34 2.01 2fpbB1 GLY 69 H -0.92 0.35 0.16 -0.55 8.43 7.47 2fpbB1 GLY 69 HA2 -0.48 0.11 0.24 -0.51 4.01 3.36 2fpbB1 GLY 69 HA3 -0.29 0.07 0.42 -0.51 4.01 3.70 2fpbB1 PRO 70 HA 0.05 0.13 0.45 -0.51 4.44 4.57 2fpbB1 PRO 70 HB2 0.00 0.02 0.02 -0.04 2.28 2.28 2fpbB1 PRO 70 HB3 0.07 0.07 0.08 -0.04 2.02 2.19 2fpbB1 PRO 70 HG2 0.04 0.07 0.06 -0.04 2.03 2.16 2fpbB1 PRO 70 HG3 0.15 0.07 0.04 -0.04 2.03 2.24 2fpbB1 PRO 70 HD2 -0.05 0.10 0.19 -0.04 3.68 3.88 2fpbB1 PRO 70 HD3 -0.02 0.16 0.18 -0.04 3.65 3.93 2fpbB1 ASN 71 H -0.09 0.08 -0.13 -0.55 8.53 7.84 2fpbB1 ASN 71 HA -0.03 0.16 0.58 -0.75 4.76 4.71 2fpbB1 ASN 71 HB2 -0.06 -0.01 -0.02 -0.04 2.88 2.75 2fpbB1 ASN 71 HB3 -0.04 0.04 0.03 -0.04 2.79 2.78 2fpbB1 ASN 71 HD21 -0.03 0.01 -0.01 -0.04 7.03 6.96 2fpbB1 ASN 71 HD22 -0.04 0.02 -0.01 -0.04 7.74 7.67 2fpbB1 SER 72 H -0.18 -0.05 -0.28 -0.55 8.46 7.41 2fpbB1 SER 72 HA -0.09 0.16 0.54 -0.75 4.49 4.35 2fpbB1 SER 72 HB2 -0.20 0.07 -0.09 -0.04 3.95 3.68 2fpbB1 SER 72 HB3 -0.11 0.02 -0.00 -0.04 3.93 3.79 2fpbB1 GLY 73 H -0.33 0.50 0.03 -0.55 8.43 8.08 2fpbB1 GLY 73 HA2 -0.08 0.02 0.28 -0.51 4.01 3.72 2fpbB1 GLY 73 HA3 -0.01 0.13 0.46 -0.51 4.01 4.07 2fpbB1 PHE 74 H 0.24 0.13 0.18 -0.55 8.34 8.33 2fpbB1 PHE 74 HA 0.00 0.25 0.77 -0.75 4.62 4.89 2fpbB1 PHE 74 HB2 0.05 -0.06 0.13 -0.04 3.15 3.23 2fpbB1 PHE 74 HB3 0.02 0.05 -0.09 -0.04 3.06 2.99 2fpbB1 PHE 74 HD2 0.06 0.05 -0.07 -0.04 7.28 7.28 2fpbB1 PHE 74 HE2 0.01 0.09 -0.16 -0.04 7.38 7.28 2fpbB1 PHE 74 HZ -0.09 -0.04 -0.24 -0.04 7.32 6.92 2fpbB1 VAL 75 H 0.03 0.77 0.31 -0.55 8.24 8.80 2fpbB1 VAL 75 HA 0.05 0.09 0.82 -0.75 4.13 4.34 2fpbB1 VAL 75 HB 0.01 -0.02 0.10 -0.04 2.12 2.17 2fpbB1 VAL 75 HG13 -0.02 -0.02 -0.17 -0.04 0.97 0.72 2fpbB1 VAL 75 HG23 -0.03 0.03 -0.08 -0.04 0.95 0.83 2fpbB1 ASP 76 H 0.00 0.05 0.09 -0.55 8.40 7.99 2fpbB1 ASP 76 HA -0.14 0.03 0.46 -0.75 4.63 4.22 2fpbB1 ASP 76 HB2 -0.03 -0.02 0.09 -0.04 2.71 2.71 2fpbB1 ASP 76 HB3 -0.26 0.03 -0.09 -0.04 2.70 2.34 2fpbB1 PHE 77 H -0.16 0.41 0.38 -0.55 8.34 8.41 2fpbB1 PHE 77 HA -0.12 0.25 1.05 -0.75 4.62 5.05 2fpbB1 PHE 77 HB2 0.02 0.10 0.00 -0.04 3.15 3.23 2fpbB1 PHE 77 HB3 -0.05 0.04 0.05 -0.04 3.06 3.06 2fpbB1 PHE 77 HD2 -0.03 0.01 -0.11 -0.04 7.28 7.11 2fpbB1 PHE 77 HE2 -0.12 0.09 -0.22 -0.04 7.38 7.08 2fpbB1 PHE 77 HZ -0.07 0.01 -0.18 -0.04 7.32 7.04 2fpbB1 ALA 78 H -0.31 0.46 0.31 -0.55 8.40 8.32 2fpbB1 ALA 78 HA -0.66 0.18 0.85 -0.75 4.34 3.95 2fpbB1 ALA 78 HB3 -0.45 0.00 -0.11 -0.04 1.41 0.82 2fpbB1 TYR 79 H -0.27 0.61 0.11 -0.55 8.29 8.19 2fpbB1 TYR 79 HA -0.31 0.18 0.64 -0.75 4.56 4.32 2fpbB1 TYR 79 HB2 -0.32 0.10 -0.05 -0.04 3.06 2.75 2fpbB1 TYR 79 HB3 -0.29 0.03 0.02 -0.04 2.98 2.70 2fpbB1 TYR 79 HD2 -1.18 0.02 -0.29 -0.04 7.15 5.66 2fpbB1 TYR 79 HE2 -1.01 -0.02 -0.17 -0.04 6.85 5.61 2fpbB1 ALA 80 H -0.07 0.24 0.05 -0.55 8.40 8.08 2fpbB1 ALA 80 HA -0.07 0.05 0.50 -0.75 4.34 4.07 2fpbB1 ALA 80 HB3 0.02 -0.00 -0.05 -0.04 1.41 1.33 2fpbB1 SER 81 H -0.12 0.12 -0.09 -0.55 8.46 7.82 2fpbB1 SER 81 HA -1.43 0.15 0.36 -0.75 4.49 2.82 2fpbB1 SER 81 HB2 -0.33 0.05 -0.22 -0.04 3.95 3.41 2fpbB1 SER 81 HB3 0.06 -0.01 0.09 -0.04 3.93 4.03 2fpbB1 PRO 82 HA -0.35 0.10 0.67 -0.51 4.44 4.35 2fpbB1 PRO 82 HB2 -1.71 -0.01 0.02 -0.04 2.28 0.54 2fpbB1 PRO 82 HB3 -0.58 0.01 0.15 -0.04 2.02 1.56 2fpbB1 PRO 82 HG2 -0.10 -0.01 0.10 -0.04 2.03 1.99 2fpbB1 PRO 82 HG3 -0.18 0.13 0.12 -0.04 2.03 2.06 2fpbB1 PRO 82 HD2 -0.24 0.05 0.22 -0.04 3.68 3.67 2fpbB1 PRO 82 HD3 -0.33 0.38 0.30 -0.04 3.65 3.96 2fpbB1 TYR 83 H -0.10 0.05 -0.44 -0.55 8.29 7.24 2fpbB1 TYR 83 HA -0.04 0.22 0.71 -0.75 4.56 4.69 2fpbB1 TYR 83 HB2 0.01 0.05 -0.01 -0.04 3.06 3.07 2fpbB1 TYR 83 HB3 -0.04 -0.04 0.04 -0.04 2.98 2.89 2fpbB1 TYR 83 HD2 0.03 0.05 -0.06 -0.04 7.15 7.13 2fpbB1 TYR 83 HE2 0.07 0.01 -0.02 -0.04 6.85 6.87 2fpbB1 TRP 84 H 0.21 0.19 -0.21 -0.55 7.97 7.62 2fpbB1 TRP 84 HA 0.04 0.03 0.48 -0.75 4.62 4.41 2fpbB1 TRP 84 HB2 -0.03 0.05 0.10 -0.04 3.23 3.32 2fpbB1 TRP 84 HB3 -0.35 -0.02 -0.04 -0.04 3.23 2.78 2fpbB1 TRP 84 HD1 0.07 0.31 0.16 -0.04 7.22 7.72 2fpbB1 TRP 84 HE1 0.07 0.61 0.06 -0.04 10.20 10.90 2fpbB1 TRP 84 HE3 -0.35 0.02 -0.47 -0.04 7.59 6.75 2fpbB1 TRP 84 HZ2 0.06 -0.06 -0.14 -0.04 7.44 7.26 2fpbB1 TRP 84 HZ3 -0.01 -0.05 -0.15 -0.04 7.13 6.88 2fpbB1 TRP 84 HH2 0.07 -0.02 -0.06 -0.04 7.19 7.14 2fpbB1 ASN 85 H -0.86 0.19 0.18 -0.55 8.53 7.49 2fpbB1 ASN 85 HA -0.14 0.13 0.73 -0.75 4.76 4.72 2fpbB1 ASN 85 HB2 -0.11 0.31 -0.10 -0.04 2.88 2.94 2fpbB1 ASN 85 HB3 -0.19 -0.06 0.15 -0.04 2.79 2.65 2fpbB1 ASN 85 HD21 -0.07 -0.03 0.00 -0.04 7.03 6.89 2fpbB1 ASN 85 HD22 -0.06 0.13 -0.01 -0.04 7.74 7.76 2fpbB1 LYS 86 H -0.14 0.20 0.13 -0.55 8.42 8.05 2fpbB1 LYS 86 HA -0.70 0.07 0.24 -0.75 4.32 3.16 2fpbB1 LYS 86 HB2 0.25 0.06 0.07 -0.04 1.87 2.22 2fpbB1 LYS 86 HB3 0.02 -0.03 0.16 -0.04 1.79 1.90 2fpbB1 LYS 86 HG2 0.04 0.03 -0.19 -0.04 1.46 1.29 2fpbB1 LYS 86 HG3 0.17 -0.01 -0.00 -0.04 1.46 1.57 2fpbB1 LYS 86 HD2 0.19 0.02 -0.01 -0.04 1.69 1.86 2fpbB1 LYS 86 HD3 0.10 -0.01 0.00 -0.04 1.68 1.74 2fpbB1 LYS 86 HE2 0.07 0.01 -0.01 -0.04 2.99 3.01 2fpbB1 LYS 86 HE3 0.06 0.00 -0.04 -0.04 2.99 2.97 2fpbB1 ALA 87 H -0.09 0.07 0.01 -0.55 8.40 7.84 2fpbB1 ALA 87 HA -0.05 0.09 0.42 -0.75 4.34 4.05 2fpbB1 ALA 87 HB3 -0.02 -0.00 0.06 -0.04 1.41 1.41 2fpbB1 PHE 88 H -0.04 0.02 -0.28 -0.55 8.34 7.48 2fpbB1 PHE 88 HA -0.13 0.09 0.34 -0.75 4.62 4.17 2fpbB1 PHE 88 HB2 -0.14 -0.06 0.04 -0.04 3.15 2.95 2fpbB1 PHE 88 HB3 -0.23 0.04 0.05 -0.04 3.06 2.87 2fpbB1 PHE 88 HD2 -0.13 0.01 -0.06 -0.04 7.28 7.05 2fpbB1 PHE 88 HE2 -0.07 -0.00 0.01 -0.04 7.38 7.28 2fpbB1 PHE 88 HZ -0.07 -0.01 -0.02 -0.04 7.32 7.19 2fpbB1 CYS 89 H -0.42 0.36 -0.07 -0.55 8.50 7.83 2fpbB1 CYS 89 HA -0.33 0.13 0.68 -0.75 4.58 4.31 2fpbB1 CYS 89 HB2 -1.59 0.15 0.16 -0.04 2.97 1.65 2fpbB1 CYS 89 HB3 -0.62 0.13 0.03 -0.04 2.97 2.47 2fpbB1 GLU 90 H -0.28 0.45 0.12 -0.55 8.60 8.34 2fpbB1 GLU 90 HA 0.37 -0.05 0.31 -0.75 4.29 4.17 2fpbB1 GLU 90 HB2 0.42 -0.07 0.12 -0.04 2.09 2.51 2fpbB1 GLU 90 HB3 0.06 0.16 0.17 -0.04 1.99 2.34 2fpbB1 GLU 90 HG2 0.11 0.04 -0.22 -0.04 2.34 2.23 2fpbB1 GLU 90 HG3 0.25 -0.06 0.02 -0.04 2.34 2.50 2fpbB1 ASN 91 H 0.14 0.03 0.26 -0.55 8.53 8.41 2fpbB1 ASN 91 HA 0.04 -0.08 0.40 -0.75 4.76 4.36 2fpbB1 ASN 91 HB2 0.01 0.28 -0.29 -0.04 2.88 2.84 2fpbB1 ASN 91 HB3 -0.01 -0.01 0.20 -0.04 2.79 2.93 2fpbB1 ASN 91 HD21 0.04 -0.01 -0.01 -0.04 7.03 7.00 2fpbB1 ASN 91 HD22 0.03 0.07 -0.12 -0.04 7.74 7.68 2fpbB1 SER 92 H -0.01 0.36 -0.18 -0.55 8.46 8.09 2fpbB1 SER 92 HA -0.10 0.04 0.34 -0.75 4.49 4.02 2fpbB1 SER 92 HB2 -0.21 -0.03 0.13 -0.04 3.95 3.79 2fpbB1 SER 92 HB3 -0.14 0.28 0.13 -0.04 3.93 4.15 2fpbB1 THR 93 H -0.09 0.09 0.21 -0.55 8.28 7.94 2fpbB1 THR 93 HA -0.06 0.27 0.87 -0.75 4.39 4.72 2fpbB1 THR 93 HB -0.14 0.01 0.14 -0.04 4.32 4.29 2fpbB1 THR 93 HG23 -0.13 0.03 -0.06 -0.04 1.22 1.02 2fpbB1 ASP 94 H -0.10 0.07 0.04 -0.55 8.40 7.87 2fpbB1 ASP 94 HA -0.05 0.12 0.56 -0.75 4.63 4.51 2fpbB1 ASP 94 HB2 -0.07 0.06 0.06 -0.04 2.71 2.72 2fpbB1 ASP 94 HB3 -0.12 0.05 0.15 -0.04 2.70 2.74 2fpbB1 ALA 95 H -0.02 0.17 0.22 -0.55 8.40 8.23 2fpbB1 ALA 95 HA -0.01 0.18 0.21 -0.75 4.34 3.96 2fpbB1 ALA 95 HB3 0.01 0.03 0.09 -0.04 1.41 1.50 2fpbB1 GLU 96 H -0.03 0.06 -0.07 -0.55 8.60 8.01 2fpbB1 GLU 96 HA -0.03 0.12 0.52 -0.75 4.29 4.15 2fpbB1 GLU 96 HB2 -0.01 0.01 -0.02 -0.04 2.09 2.03 2fpbB1 GLU 96 HB3 0.00 0.05 0.11 -0.04 1.99 2.10 2fpbB1 GLU 96 HG2 -0.01 -0.06 0.06 -0.04 2.34 2.29 2fpbB1 GLU 96 HG3 -0.00 0.04 0.03 -0.04 2.34 2.37 2fpbB1 LYS 97 H -0.06 0.29 -0.56 -0.55 8.42 7.52 2fpbB1 LYS 97 HA 0.07 0.12 0.74 -0.75 4.32 4.49 2fpbB1 LYS 97 HB2 -0.16 0.22 0.08 -0.04 1.87 1.97 2fpbB1 LYS 97 HB3 -0.23 0.00 0.09 -0.04 1.79 1.61 2fpbB1 LYS 97 HG2 -0.25 -0.01 -0.04 -0.04 1.46 1.12 2fpbB1 LYS 97 HG3 -0.21 -0.13 -0.05 -0.04 1.46 1.03 2fpbB1 LYS 97 HD2 -0.48 -0.04 0.09 -0.04 1.69 1.23 2fpbB1 LYS 97 HD3 -1.52 0.15 0.07 -0.04 1.68 0.34 2fpbB1 LYS 97 HE2 -0.65 -0.04 0.02 -0.04 2.99 2.28 2fpbB1 LYS 97 HE3 -0.30 -0.11 0.02 -0.04 2.99 2.57 2fpbB1 ARG 98 H -0.10 0.39 -0.27 -0.55 8.46 7.93 2fpbB1 ARG 98 HA -0.06 0.13 0.19 -0.75 4.34 3.84 2fpbB1 ARG 98 HB2 -0.29 0.10 0.07 -0.04 1.90 1.74 2fpbB1 ARG 98 HB3 -0.31 -0.12 -0.14 -0.04 1.80 1.19 2fpbB1 ARG 98 HG2 0.08 0.04 -0.05 -0.04 1.67 1.69 2fpbB1 ARG 98 HG3 -0.01 0.01 -0.02 -0.04 1.67 1.61 2fpbB1 ARG 98 HD2 -0.00 0.06 0.18 -0.04 3.22 3.41 2fpbB1 ARG 98 HD3 0.06 -0.10 -0.01 -0.04 3.22 3.13 2fpbB1 PRO 99 HA -0.66 0.04 0.30 -0.51 4.44 3.61 2fpbB1 PRO 99 HB2 -0.09 0.04 -0.03 -0.04 2.28 2.16 2fpbB1 PRO 99 HB3 -0.11 0.04 0.06 -0.04 2.02 1.98 2fpbB1 PRO 99 HG2 -0.10 0.05 0.03 -0.04 2.03 1.97 2fpbB1 PRO 99 HG3 -0.35 -0.01 0.01 -0.04 2.03 1.64 2fpbB1 PRO 99 HD2 -0.12 0.30 -0.29 -0.04 3.68 3.53 2fpbB1 PRO 99 HD3 -0.25 0.10 -0.06 -0.04 3.65 3.40 2fpbB1 LEU 100 H 0.00 0.23 -0.35 -0.55 8.37 7.71 2fpbB1 LEU 100 HA 0.17 0.12 0.68 -0.75 4.35 4.57 2fpbB1 LEU 100 HB2 0.02 -0.04 0.03 -0.04 1.64 1.61 2fpbB1 LEU 100 HB3 0.15 0.08 0.04 -0.04 1.64 1.87 2fpbB1 LEU 100 HG -0.17 -0.04 -0.03 -0.04 1.64 1.37 2fpbB1 LEU 100 HD13 0.00 -0.01 -0.20 -0.04 0.93 0.68 2fpbB1 LEU 100 HD23 -0.02 -0.01 -0.01 -0.04 0.89 0.81 2fpbB1 CYS 101 H 0.10 0.47 0.04 -0.55 8.50 8.56 2fpbB1 CYS 101 HA 0.18 -0.07 0.33 -0.75 4.58 4.27 2fpbB1 CYS 101 HB2 0.08 0.04 -0.06 -0.04 2.97 2.99 2fpbB1 CYS 101 HB3 0.20 0.12 -0.03 -0.04 2.97 3.22 2fpbB1 GLY 102 H 0.16 0.75 -0.16 -0.55 8.43 8.63 2fpbB1 GLY 102 HA2 0.42 -0.06 0.26 -0.51 4.01 4.12 2fpbB1 GLY 102 HA3 0.30 -0.02 0.56 -0.51 4.01 4.33 2fpbB1 ARG 103 H 0.35 0.01 0.09 -0.55 8.46 8.35 2fpbB1 ARG 103 HA 0.05 0.21 0.47 -0.75 4.34 4.31 2fpbB1 ARG 103 HB2 0.23 -0.02 -0.07 -0.04 1.90 2.00 2fpbB1 ARG 103 HB3 0.27 -0.13 0.09 -0.04 1.80 1.99 2fpbB1 ARG 103 HG2 -0.01 0.27 0.19 -0.04 1.67 2.08 2fpbB1 ARG 103 HG3 0.06 -0.06 0.03 -0.04 1.67 1.67 2fpbB1 ARG 103 HD2 -1.31 -0.11 -0.20 -0.04 3.22 1.56 2fpbB1 ARG 103 HD3 -0.49 0.12 -0.19 -0.04 3.22 2.62 2fpbB1 THR 104 H -0.08 0.30 0.07 -0.55 8.28 8.01 2fpbB1 THR 104 HA 0.06 0.02 1.00 -0.75 4.39 4.71 2fpbB1 THR 104 HB -0.09 0.07 0.04 -0.04 4.32 4.29 2fpbB1 THR 104 HG23 -0.05 0.01 -0.22 -0.04 1.22 0.92 2fpbB1 TYR 105 H 0.16 0.41 0.37 -0.55 8.29 8.67 2fpbB1 TYR 105 HA -0.10 0.17 0.88 -0.75 4.56 4.75 2fpbB1 TYR 105 HB2 -0.03 0.06 0.17 -0.04 3.06 3.22 2fpbB1 TYR 105 HB3 -0.59 0.08 0.19 -0.04 2.98 2.62 2fpbB1 TYR 105 HD2 0.00 -0.01 0.02 -0.04 7.15 7.12 2fpbB1 TYR 105 HE2 0.13 -0.05 -0.01 -0.04 6.85 6.89 2fpbB1 ASP 106 H -0.00 0.26 0.13 -0.55 8.40 8.24 2fpbB1 ASP 106 HA -0.07 0.10 0.72 -0.75 4.63 4.63 2fpbB1 ASP 106 HB2 -0.01 0.41 -0.27 -0.04 2.71 2.80 2fpbB1 ASP 106 HB3 0.02 -0.12 -0.23 -0.04 2.70 2.33 2fpbB1 ILE 107 H -0.04 0.32 0.15 -0.55 8.25 8.13 2fpbB1 ILE 107 HA -0.03 0.34 0.80 -0.75 4.18 4.54 2fpbB1 ILE 107 HB -0.08 0.03 -0.18 -0.04 1.89 1.62 2fpbB1 ILE 107 HG12 -0.08 -0.10 -0.24 -0.04 1.49 1.02 2fpbB1 ILE 107 HG13 -0.05 0.03 -0.37 -0.04 1.21 0.78 2fpbB1 ILE 107 HG23 -0.07 -0.02 -0.32 -0.04 0.93 0.49 2fpbB1 ILE 107 HD13 -0.05 0.02 -0.40 -0.04 0.88 0.42 2fpbB1 SER 108 H -0.01 0.72 0.14 -0.55 8.46 8.75 2fpbB1 SER 108 HA 0.06 0.04 0.83 -0.75 4.49 4.67 2fpbB1 SER 108 HB2 0.05 0.19 -0.28 -0.04 3.95 3.87 2fpbB1 SER 108 HB3 0.06 -0.01 -0.09 -0.04 3.93 3.85 2fpbB1 TYR 109 H 0.19 0.04 0.12 -0.55 8.29 8.09 2fpbB1 TYR 109 HA 0.00 0.27 0.44 -0.75 4.56 4.52 2fpbB1 TYR 109 HB2 -0.02 -0.05 0.10 -0.04 3.06 3.05 2fpbB1 TYR 109 HB3 0.01 -0.06 -0.07 -0.04 2.98 2.82 2fpbB1 TYR 109 HD2 -0.16 -0.01 -0.26 -0.04 7.15 6.67 2fpbB1 TYR 109 HE2 -0.77 -0.01 -0.22 -0.04 6.85 5.81 2fpbB1 ASN 110 H 0.09 0.92 0.29 -0.55 8.53 9.28 2fpbB1 ASN 110 HA 0.14 0.11 0.88 -0.75 4.76 5.15 2fpbB1 ASN 110 HB2 0.26 0.12 0.07 -0.04 2.88 3.28 2fpbB1 ASN 110 HB3 0.16 -0.00 0.18 -0.04 2.79 3.09 2fpbB1 ASN 110 HD21 0.09 0.02 -0.01 -0.04 7.03 7.09 2fpbB1 ASN 110 HD22 0.17 0.11 -0.01 -0.04 7.74 7.97 2fpbB1 LEU 111 H 0.12 0.22 0.02 -0.55 8.37 8.19 2fpbB1 LEU 111 HA 0.12 0.02 0.27 -0.75 4.35 4.00 2fpbB1 LEU 111 HB2 0.06 -0.01 0.14 -0.04 1.64 1.78 2fpbB1 LEU 111 HB3 0.04 0.03 0.01 -0.04 1.64 1.69 2fpbB1 LEU 111 HG 0.10 0.01 -0.05 -0.04 1.64 1.66 2fpbB1 LEU 111 HD13 0.05 0.01 0.02 -0.04 0.93 0.97 2fpbB1 LEU 111 HD23 -0.01 0.01 -0.17 -0.04 0.89 0.68 2fpbB1 GLN 112 H 0.07 0.10 -0.01 -0.55 8.47 8.09 2fpbB1 GLN 112 HA 0.05 0.07 0.29 -0.75 4.36 4.01 2fpbB1 GLN 112 HB2 0.04 0.02 0.10 -0.04 2.15 2.27 2fpbB1 GLN 112 HB3 0.05 -0.01 0.14 -0.04 2.02 2.16 2fpbB1 GLN 112 HG2 0.06 -0.06 -0.11 -0.04 2.40 2.25 2fpbB1 GLN 112 HG3 0.04 0.01 -0.14 -0.04 2.39 2.27 2fpbB1 GLN 112 HE21 0.03 0.07 -0.01 -0.04 6.97 7.02 2fpbB1 GLN 112 HE22 0.03 -0.04 -0.02 -0.04 7.69 7.62 2fpbB1 ASN 113 H 0.09 0.06 -0.38 -0.55 8.53 7.76 2fpbB1 ASN 113 HA 0.05 0.28 1.05 -0.75 4.76 5.39 2fpbB1 ASN 113 HB2 0.04 0.01 0.13 -0.04 2.88 3.02 2fpbB1 ASN 113 HB3 0.05 0.01 -0.06 -0.04 2.79 2.75 2fpbB1 ASN 113 HD21 0.10 0.03 -0.04 -0.04 7.03 7.08 2fpbB1 ASN 113 HD22 0.06 0.01 -0.05 -0.04 7.74 7.73 2fpbB1 ASN 114 H 0.11 0.41 -0.20 -0.55 8.53 8.30 2fpbB1 ASN 114 HA 0.28 -0.02 0.39 -0.75 4.76 4.65 2fpbB1 ASN 114 HB2 0.08 0.04 -0.08 -0.04 2.88 2.88 2fpbB1 ASN 114 HB3 0.10 -0.00 0.19 -0.04 2.79 3.04 2fpbB1 ASN 114 HD21 0.08 -0.02 0.05 -0.04 7.03 7.10 2fpbB1 ASN 114 HD22 0.08 0.02 0.06 -0.04 7.74 7.86 2fpbB1 GLN 115 H 0.11 0.35 -0.03 -0.55 8.47 8.35 2fpbB1 GLN 115 HA -0.14 0.24 0.74 -0.75 4.36 4.45 2fpbB1 GLN 115 HB2 0.00 -0.10 -0.08 -0.04 2.15 1.93 2fpbB1 GLN 115 HB3 -0.23 0.04 0.01 -0.04 2.02 1.81 2fpbB1 GLN 115 HG2 -0.09 -0.01 -0.04 -0.04 2.40 2.22 2fpbB1 GLN 115 HG3 -0.01 0.18 -0.21 -0.04 2.39 2.31 2fpbB1 GLN 115 HE21 0.04 0.01 -0.06 -0.04 6.97 6.91 2fpbB1 GLN 115 HE22 0.05 -0.06 -0.07 -0.04 7.69 7.57 2fpbB1 TYR 117 HA -0.14 0.01 0.42 -0.75 4.56 4.10 2fpbB1 TYR 117 HB2 -0.08 0.01 0.06 -0.04 3.06 3.00 2fpbB1 TYR 117 HB3 -0.13 0.00 -0.10 -0.04 2.98 2.71 2fpbB1 TYR 117 HD2 -0.13 0.08 -0.15 -0.04 7.15 6.91 2fpbB1 TYR 117 HE2 -0.05 -0.03 -0.12 -0.04 6.85 6.62 2fpbB1 ILE 118 H -0.07 0.68 0.18 -0.55 8.25 8.50 2fpbB1 ILE 118 HA -0.04 0.25 0.90 -0.75 4.18 4.54 2fpbB1 ILE 118 HB -0.08 -0.06 -0.13 -0.04 1.89 1.58 2fpbB1 ILE 118 HG12 -0.08 0.01 -0.19 -0.04 1.49 1.19 2fpbB1 ILE 118 HG13 -0.12 0.04 -0.53 -0.04 1.21 0.56 2fpbB1 ILE 118 HG23 -0.03 -0.01 -0.29 -0.04 0.93 0.56 2fpbB1 ILE 118 HD13 -0.13 -0.02 -0.31 -0.04 0.88 0.37 2fpbB1 VAL 119 H 0.00 0.52 0.11 -0.55 8.24 8.32 2fpbB1 VAL 119 HA -0.00 0.28 0.56 -0.75 4.13 4.22 2fpbB1 VAL 119 HB 0.08 -0.06 -0.29 -0.04 2.12 1.81 2fpbB1 VAL 119 HG13 -0.08 0.01 -0.21 -0.04 0.97 0.65 2fpbB1 VAL 119 HG23 0.07 -0.03 -0.34 -0.04 0.95 0.62 2fpbB1 ASP 120 H 0.11 0.62 0.05 -0.55 8.40 8.63 2fpbB1 ASP 120 HA 0.19 0.16 1.02 -0.75 4.63 5.24 2fpbB1 ASP 120 HB2 0.10 0.05 -0.18 -0.04 2.71 2.64 2fpbB1 ASP 120 HB3 0.15 0.07 -0.07 -0.04 2.70 2.81 2fpbB1 CYS 121 H 0.31 0.69 0.36 -0.55 8.50 9.31 2fpbB1 CYS 121 HA 0.16 0.03 0.37 -0.75 4.58 4.39 2fpbB1 CYS 121 HB2 -0.13 0.09 0.17 -0.04 2.97 3.06 2fpbB1 CYS 121 HB3 0.02 0.02 0.21 -0.04 2.97 3.18 2fpbB1 TYR 122 H 0.18 -0.10 -0.22 -0.55 8.29 7.60 2fpbB1 TYR 122 HA -0.14 0.30 0.83 -0.75 4.56 4.79 2fpbB1 TYR 122 HB2 0.06 -0.06 -0.02 -0.04 3.06 3.00 2fpbB1 TYR 122 HB3 -0.26 0.14 0.07 -0.04 2.98 2.89 2fpbB1 TYR 122 HD2 0.02 -0.04 -0.04 -0.04 7.15 7.05 2fpbB1 TYR 122 HE2 -0.03 0.02 -0.07 -0.04 6.85 6.73 2fpbB1 TYR 123 H 0.08 -0.15 -0.16 -0.55 8.29 7.52 2fpbB1 TYR 123 HA -0.25 0.27 0.85 -0.75 4.56 4.67 2fpbB1 TYR 123 HB2 0.02 -0.14 -0.16 -0.04 3.06 2.74 2fpbB1 TYR 123 HB3 0.00 0.10 -0.03 -0.04 2.98 3.01 2fpbB1 TYR 123 HD2 0.10 -0.11 -0.11 -0.04 7.15 6.99 2fpbB1 TYR 123 HE2 0.18 0.01 -0.15 -0.04 6.85 6.84 2fpbB1 HIS 124 H -0.10 0.21 -0.10 -0.55 8.41 7.89 2fpbB1 HIS 124 HA 0.13 0.04 0.30 -0.75 4.63 4.34 2fpbB1 HIS 124 HB2 0.19 0.20 -0.03 -0.04 3.26 3.58 2fpbB1 HIS 124 HB3 0.41 -0.04 0.18 -0.04 3.20 3.71 2fpbB1 HIS 124 HD2 0.09 -0.02 -0.16 -0.04 6.97 6.84 2fpbB1 HIS 124 HE1 0.05 0.12 -0.06 -0.04 7.75 7.81 2fpbB1 LEU 125 H 0.20 0.34 0.29 -0.55 8.37 8.65 2fpbB1 LEU 125 HA -0.12 0.26 0.80 -0.75 4.35 4.53 2fpbB1 LEU 125 HB2 -0.64 -0.05 0.07 -0.04 1.64 0.98 2fpbB1 LEU 125 HB3 -0.19 -0.02 0.23 -0.04 1.64 1.63 2fpbB1 LEU 125 HG -0.33 -0.01 -0.34 -0.04 1.64 0.92 2fpbB1 LEU 125 HD13 -0.36 0.07 -0.05 -0.04 0.93 0.55 2fpbB1 LEU 125 HD23 -0.79 -0.02 -0.16 -0.04 0.89 -0.12 2fpbB1 SER 126 H -0.08 0.72 0.41 -0.55 8.46 8.96 2fpbB1 SER 126 HA -0.10 0.15 0.76 -0.75 4.49 4.55 2fpbB1 SER 126 HB2 -0.07 -0.01 -0.22 -0.04 3.95 3.61 2fpbB1 SER 126 HB3 -0.01 0.04 -0.32 -0.04 3.93 3.60 2fpbB1 VAL 127 H -0.16 0.56 0.29 -0.55 8.24 8.38 2fpbB1 VAL 127 HA -0.37 0.10 0.68 -0.75 4.13 3.78 2fpbB1 VAL 127 HB -0.54 0.03 -0.18 -0.04 2.12 1.39 2fpbB1 VAL 127 HG13 -0.21 0.01 -0.14 -0.04 0.97 0.59 2fpbB1 VAL 127 HG23 -0.96 0.04 -0.01 -0.04 0.95 -0.02 2fpbB1 VAL 128 H -0.32 0.31 0.18 -0.55 8.24 7.86 2fpbB1 VAL 128 HA -0.18 0.12 0.66 -0.75 4.13 3.98 2fpbB1 VAL 128 HB -0.21 -0.05 -0.28 -0.04 2.12 1.54 2fpbB1 VAL 128 HG13 -0.26 0.03 -0.22 -0.04 0.97 0.49 2fpbB1 VAL 128 HG23 -0.27 0.04 -0.24 -0.04 0.95 0.45 2fpbB1 GLY 129 H -0.14 0.17 0.11 -0.55 8.43 8.03 2fpbB1 GLY 129 HA2 -0.08 0.18 0.63 -0.51 4.01 4.22 2fpbB1 GLY 129 HA3 -0.06 0.02 0.39 -0.51 4.01 3.85 2fpbB1 SER 130 H 0.04 0.25 0.27 -0.55 8.46 8.47 2fpbB1 SER 130 HA 0.26 0.05 0.28 -0.75 4.49 4.33 2fpbB1 SER 130 HB2 0.17 -0.07 0.13 -0.04 3.95 4.14 2fpbB1 SER 130 HB3 0.14 0.26 0.25 -0.04 3.93 4.54 2fpbB1 GLU 131 H 0.02 -0.01 -0.48 -0.55 8.60 7.58 2fpbB1 GLU 131 HA 0.11 0.15 0.64 -0.75 4.29 4.44 2fpbB1 GLU 131 HB2 0.00 0.01 0.10 -0.04 2.09 2.16 2fpbB1 GLU 131 HB3 0.03 -0.06 0.01 -0.04 1.99 1.92 2fpbB1 GLU 131 HG2 -0.06 0.18 -0.14 -0.04 2.34 2.28 2fpbB1 GLU 131 HG3 -0.02 -0.01 -0.04 -0.04 2.34 2.22 2fpbB1 GLY 132 H -0.23 0.42 -0.32 -0.55 8.43 7.75 2fpbB1 GLY 132 HA2 -1.23 -0.04 0.15 -0.51 4.01 2.39 2fpbB1 GLY 132 HA3 -0.99 0.22 0.47 -0.51 4.01 3.20 2fpbB1 GLY 133 H -0.49 0.68 0.41 -0.55 8.43 8.47 2fpbB1 GLY 133 HA2 -0.09 -0.02 0.29 -0.51 4.01 3.68 2fpbB1 GLY 133 HA3 -0.11 0.13 0.74 -0.51 4.01 4.27 2fpbB1 HIS 134 H 0.10 0.09 0.14 -0.55 8.41 8.19 2fpbB1 HIS 134 HA 0.00 0.20 0.57 -0.75 4.63 4.65 2fpbB1 HIS 134 HB2 -0.10 -0.06 0.12 -0.04 3.26 3.19 2fpbB1 HIS 134 HB3 -0.13 0.10 0.01 -0.04 3.20 3.13 2fpbB1 HIS 134 HD2 -0.08 -0.06 0.07 -0.04 6.97 6.86 2fpbB1 HIS 134 HE1 -0.22 0.08 -0.11 -0.04 7.75 7.46 2fpbB1 ALA 135 H -0.05 0.43 0.21 -0.55 8.40 8.44 2fpbB1 ALA 135 HA -0.11 0.09 0.42 -0.75 4.34 3.98 2fpbB1 ALA 135 HB3 -0.11 -0.03 -0.11 -0.04 1.41 1.13 2fpbB1 THR 136 H -0.10 0.65 0.36 -0.55 8.28 8.64 2fpbB1 THR 136 HA -0.04 0.10 0.87 -0.75 4.39 4.57 2fpbB1 THR 136 HB -0.08 -0.06 0.17 -0.04 4.32 4.31 2fpbB1 THR 136 HG23 -0.02 0.04 -0.03 -0.04 1.22 1.16 2fpbB1 GLN 137 H 0.00 0.13 0.14 -0.55 8.47 8.19 2fpbB1 GLN 137 HA 0.00 0.11 0.51 -0.75 4.36 4.23 2fpbB1 GLN 137 HB2 0.08 0.04 0.10 -0.04 2.15 2.33 2fpbB1 GLN 137 HB3 0.06 -0.05 0.07 -0.04 2.02 2.06 2fpbB1 GLN 137 HG2 0.10 -0.12 -0.17 -0.04 2.40 2.17 2fpbB1 GLN 137 HG3 0.12 0.20 0.03 -0.04 2.39 2.69 2fpbB1 GLN 137 HE21 0.20 -0.08 0.01 -0.04 6.97 7.07 2fpbB1 GLN 137 HE22 0.21 0.25 0.06 -0.04 7.69 8.17 2fpbB1 LEU 138 H -0.04 0.75 0.45 -0.55 8.37 8.99 2fpbB1 LEU 138 HA -0.04 0.19 0.94 -0.75 4.35 4.68 2fpbB1 LEU 138 HB2 -0.30 0.05 -0.16 -0.04 1.64 1.18 2fpbB1 LEU 138 HB3 -0.76 -0.06 -0.16 -0.04 1.64 0.63 2fpbB1 LEU 138 HG -0.16 0.08 -0.24 -0.04 1.64 1.28 2fpbB1 LEU 138 HD13 -0.29 -0.01 -0.21 -0.04 0.93 0.37 2fpbB1 LEU 138 HD23 -0.01 0.03 -0.08 -0.04 0.89 0.79 2fpbB1 ALA 139 H 0.03 0.36 0.23 -0.55 8.40 8.48 2fpbB1 ALA 139 HA 0.11 0.08 0.59 -0.75 4.34 4.36 2fpbB1 ALA 139 HB3 0.24 0.05 -0.06 -0.04 1.41 1.60 2fpbB1 THR 140 H -0.03 0.16 0.15 -0.55 8.28 8.01 2fpbB1 THR 140 HA 0.07 0.22 1.06 -0.75 4.39 4.98 2fpbB1 THR 140 HB -0.17 0.05 0.13 -0.04 4.32 4.30 2fpbB1 THR 140 HG23 0.19 0.02 -0.18 -0.04 1.22 1.21 2fpbB1 SER 141 H -0.45 0.22 0.11 -0.55 8.46 7.80 2fpbB1 SER 141 HA -1.39 0.12 0.47 -0.75 4.49 2.93 2fpbB1 SER 141 HB2 -0.34 0.05 -0.37 -0.04 3.95 3.25 2fpbB1 SER 141 HB3 -0.31 -0.02 -0.57 -0.04 3.93 2.99 2fpbB1 VAL 142 H -0.25 0.58 0.05 -0.55 8.24 8.07 2fpbB1 VAL 142 HA -0.03 0.07 0.37 -0.75 4.13 3.78 2fpbB1 VAL 142 HB 0.19 0.07 -0.21 -0.04 2.12 2.13 2fpbB1 VAL 142 HG13 0.12 0.02 -0.16 -0.04 0.97 0.91 2fpbB1 VAL 142 HG23 0.06 0.02 -0.13 -0.04 0.95 0.86 2fpbB1 ASP 143 H -0.00 0.20 0.11 -0.55 8.40 8.16 2fpbB1 ASP 143 HA -0.01 0.05 0.33 -0.75 4.63 4.25 2fpbB1 ASP 143 HB2 -0.01 0.17 0.23 -0.04 2.71 3.06 2fpbB1 ASP 143 HB3 -0.00 0.01 0.23 -0.04 2.70 2.90 2fpbB1 GLY 144 H -0.04 0.03 -0.27 -0.55 8.43 7.60 2fpbB1 GLY 144 HA2 -0.05 -0.02 0.20 -0.51 4.01 3.63 2fpbB1 GLY 144 HA3 -0.03 0.11 0.46 -0.51 4.01 4.04 2fpbB1 VAL 145 H -0.07 0.28 -0.59 -0.55 8.24 7.31 2fpbB1 VAL 145 HA -0.05 0.22 0.85 -0.75 4.13 4.39 2fpbB1 VAL 145 HB -0.02 0.04 0.12 -0.04 2.12 2.21 2fpbB1 VAL 145 HG13 -0.01 0.01 -0.04 -0.04 0.97 0.89 2fpbB1 VAL 145 HG23 -0.02 0.04 -0.15 -0.04 0.95 0.78 2fpbB1 PRO 146 HA -0.33 -0.00 0.44 -0.51 4.44 4.04 2fpbB1 PRO 146 HB2 -0.09 0.16 -0.03 -0.04 2.28 2.28 2fpbB1 PRO 146 HB3 -0.12 -0.03 0.08 -0.04 2.02 1.91 2fpbB1 PRO 146 HG2 -0.04 0.05 0.07 -0.04 2.03 2.07 2fpbB1 PRO 146 HG3 -0.05 0.01 0.07 -0.04 2.03 2.02 2fpbB1 PRO 146 HD2 -0.05 0.10 0.28 -0.04 3.68 3.97 2fpbB1 PRO 146 HD3 -0.08 0.18 0.09 -0.04 3.65 3.80 2fpbB1 PHE 147 H -0.56 0.44 0.27 -0.55 8.34 7.94 2fpbB1 PHE 147 HA -0.01 0.04 0.58 -0.75 4.62 4.48 2fpbB1 PHE 147 HB2 -0.28 0.06 0.00 -0.04 3.15 2.89 2fpbB1 PHE 147 HB3 0.06 -0.15 -0.06 -0.04 3.06 2.88 2fpbB1 PHE 147 HD2 -0.01 0.05 -0.09 -0.04 7.28 7.18 2fpbB1 PHE 147 HE2 0.09 0.06 -0.38 -0.04 7.38 7.11 2fpbB1 PHE 147 HZ 0.33 0.08 -0.32 -0.04 7.32 7.36 2fpbB1 LYS 148 H 0.19 0.12 0.19 -0.55 8.42 8.37 2fpbB1 LYS 148 HA 0.12 0.28 0.96 -0.75 4.32 4.92 2fpbB1 LYS 148 HB2 0.07 0.13 -0.30 -0.04 1.87 1.72 2fpbB1 LYS 148 HB3 0.13 -0.03 -0.41 -0.04 1.79 1.44 2fpbB1 LYS 148 HG2 0.05 -0.08 -0.87 -0.04 1.46 0.52 2fpbB1 LYS 148 HG3 0.07 -0.10 -0.27 -0.04 1.46 1.11 2fpbB1 LYS 148 HD2 0.04 0.09 -0.17 -0.04 1.69 1.61 2fpbB1 LYS 148 HD3 0.01 0.09 -0.17 -0.04 1.68 1.57 2fpbB1 LYS 148 HE2 0.05 -0.07 -0.01 -0.04 2.99 2.92 2fpbB1 LYS 148 HE3 0.05 0.03 -0.02 -0.04 2.99 3.01 2fpbB1 TRP 149 H 0.23 0.02 0.05 -0.55 7.97 7.73 2fpbB1 TRP 149 HA -0.03 0.20 0.65 -0.75 4.62 4.69 2fpbB1 TRP 149 HB2 -0.05 0.06 0.01 -0.04 3.23 3.20 2fpbB1 TRP 149 HB3 -0.04 -0.09 0.12 -0.04 3.23 3.19 2fpbB1 TRP 149 HD1 -0.06 0.32 -0.20 -0.04 7.22 7.24 2fpbB1 TRP 149 HE1 -1.37 0.06 -0.00 -0.04 10.20 8.85 2fpbB1 TRP 149 HE3 -0.04 0.10 -0.40 -0.04 7.59 7.21 2fpbB1 TRP 149 HZ2 -0.34 0.07 -0.00 -0.04 7.44 7.12 2fpbB1 TRP 149 HZ3 -0.07 -0.01 -0.22 -0.04 7.13 6.78 2fpbB1 TRP 149 HH2 -0.06 0.04 -0.01 -0.04 7.19 7.12 2fpbB1 LEU 150 H 0.29 0.19 -0.02 -0.55 8.37 8.28 2fpbB1 LEU 150 HA 0.06 0.21 0.71 -0.75 4.35 4.58 2fpbB1 LEU 150 HB2 0.18 0.01 -0.17 -0.04 1.64 1.62 2fpbB1 LEU 150 HB3 0.11 0.01 -0.07 -0.04 1.64 1.65 2fpbB1 LEU 150 HG 0.09 0.00 -0.03 -0.04 1.64 1.65 2fpbB1 LEU 150 HD13 -0.12 -0.01 -0.12 -0.04 0.93 0.63 2fpbB1 LEU 150 HD23 -0.51 -0.01 -0.14 -0.04 0.89 0.19 2fpbB1 TYR 151 H 0.14 0.26 0.27 -0.55 8.29 8.41 2fpbB1 TYR 151 HA 0.08 0.13 0.90 -0.75 4.56 4.92 2fpbB1 TYR 151 HB2 -0.47 0.03 -0.34 -0.04 3.06 2.25 2fpbB1 TYR 151 HB3 -0.21 0.04 -0.05 -0.04 2.98 2.71 2fpbB1 TYR 151 HD2 -0.82 0.03 -0.18 -0.04 7.15 6.14 2fpbB1 TYR 151 HE2 -0.30 0.03 0.03 -0.04 6.85 6.57 2fpbB1 ALA 152 H 0.13 0.11 0.25 -0.55 8.40 8.34 2fpbB1 ALA 152 HA 0.07 0.25 0.91 -0.75 4.34 4.81 2fpbB1 ALA 152 HB3 0.12 0.04 -0.09 -0.04 1.41 1.43 2fpbB1 VAL 153 H 0.07 0.33 0.19 -0.55 8.24 8.28 2fpbB1 VAL 153 HA 0.16 0.30 0.96 -0.75 4.13 4.79 2fpbB1 VAL 153 HB 0.06 -0.05 -0.42 -0.04 2.12 1.67 2fpbB1 VAL 153 HG13 0.03 -0.01 -0.45 -0.04 0.97 0.50 2fpbB1 VAL 153 HG23 0.02 0.00 -0.25 -0.04 0.95 0.68 2fpbB1 THR 154 H 0.13 0.70 0.32 -0.55 8.28 8.88 2fpbB1 THR 154 HA 0.07 0.11 0.43 -0.75 4.39 4.24 2fpbB1 THR 154 HB 0.09 0.22 0.12 -0.04 4.32 4.71 2fpbB1 THR 154 HG23 0.15 -0.07 -0.11 -0.04 1.22 1.15 2fpbB1 VAL 155 H 0.06 0.19 0.13 -0.55 8.24 8.07 2fpbB1 VAL 155 HA -0.04 0.31 1.06 -0.75 4.13 4.71 2fpbB1 VAL 155 HB 0.05 -0.05 -0.02 -0.04 2.12 2.06 2fpbB1 VAL 155 HG13 -0.08 -0.00 -0.19 -0.04 0.97 0.65 2fpbB1 VAL 155 HG23 0.03 -0.01 -0.28 -0.04 0.95 0.66 2fpbB1 ASP 156 H 0.08 0.87 0.22 -0.55 8.40 9.02 2fpbB1 ASP 156 HA 0.07 0.09 0.69 -0.75 4.63 4.73 2fpbB1 ASP 156 HB2 0.30 0.10 0.10 -0.04 2.71 3.17 2fpbB1 ASP 156 HB3 0.13 -0.13 0.26 -0.04 2.70 2.93 2fpbB1 GLN 157 H 0.04 0.28 0.16 -0.55 8.47 8.41 2fpbB1 GLN 157 HA 0.05 0.05 0.35 -0.75 4.36 4.05 2fpbB1 GLN 157 HB2 0.03 0.02 0.11 -0.04 2.15 2.27 2fpbB1 GLN 157 HB3 0.04 -0.04 0.11 -0.04 2.02 2.09 2fpbB1 GLN 157 HG2 0.04 0.10 0.19 -0.04 2.40 2.69 2fpbB1 GLN 157 HG3 0.04 0.02 0.10 -0.04 2.39 2.52 2fpbB1 GLN 157 HE21 0.10 0.41 0.25 -0.04 6.97 7.68 2fpbB1 GLN 157 HE22 0.07 0.22 0.14 -0.04 7.69 8.07 2fpbB1 ARG 158 H 0.03 0.05 -0.20 -0.55 8.46 7.79 2fpbB1 ARG 158 HA 0.03 0.11 0.43 -0.75 4.34 4.15 2fpbB1 ARG 158 HB2 0.02 0.03 0.07 -0.04 1.90 1.98 2fpbB1 ARG 158 HB3 0.03 -0.07 0.06 -0.04 1.80 1.77 2fpbB1 ARG 158 HG2 0.03 0.04 -0.33 -0.04 1.67 1.37 2fpbB1 ARG 158 HG3 0.02 -0.00 -0.01 -0.04 1.67 1.64 2fpbB1 ARG 158 HD2 0.03 -0.02 -0.11 -0.04 3.22 3.08 2fpbB1 ARG 158 HD3 0.03 0.01 -0.08 -0.04 3.22 3.13 2fpbB1 THR 159 H 0.05 0.00 -0.08 -0.55 8.28 7.70 2fpbB1 THR 159 HA 0.03 0.23 0.74 -0.75 4.39 4.64 2fpbB1 THR 159 HB 0.04 0.03 0.09 -0.04 4.32 4.44 2fpbB1 THR 159 HG23 0.06 0.01 -0.02 -0.04 1.22 1.22 2fpbB1 GLY 160 H 0.03 0.59 -0.06 -0.55 8.43 8.45 2fpbB1 GLY 160 HA2 0.02 0.01 0.28 -0.51 4.01 3.81 2fpbB1 GLY 160 HA3 0.02 0.10 0.70 -0.51 4.01 4.32 2fpbB1 ILE 161 H 0.00 -0.08 -0.19 -0.55 8.25 7.43 2fpbB1 ILE 161 HA -0.14 0.18 0.63 -0.75 4.18 4.10 2fpbB1 ILE 161 HB -0.01 -0.12 0.05 -0.04 1.89 1.78 2fpbB1 ILE 161 HG12 -0.06 0.02 -0.04 -0.04 1.49 1.37 2fpbB1 ILE 161 HG13 -0.01 -0.04 -0.14 -0.04 1.21 0.98 2fpbB1 ILE 161 HG23 -0.53 0.04 -0.10 -0.04 0.93 0.29 2fpbB1 ILE 161 HD13 0.07 0.01 -0.02 -0.04 0.88 0.90 2fpbB1 VAL 162 H -0.26 0.75 0.40 -0.55 8.24 8.58 2fpbB1 VAL 162 HA -0.17 0.28 1.09 -0.75 4.13 4.58 2fpbB1 VAL 162 HB -0.09 -0.06 0.15 -0.04 2.12 2.08 2fpbB1 VAL 162 HG13 -0.17 -0.01 -0.23 -0.04 0.97 0.52 2fpbB1 VAL 162 HG23 -0.78 0.02 -0.13 -0.04 0.95 0.01 2fpbB1 TYR 163 H 0.17 0.54 0.31 -0.55 8.29 8.76 2fpbB1 TYR 163 HA 0.12 0.21 1.03 -0.75 4.56 5.17 2fpbB1 TYR 163 HB2 0.03 -0.07 -0.01 -0.04 3.06 2.97 2fpbB1 TYR 163 HB3 -0.01 0.05 0.02 -0.04 2.98 2.99 2fpbB1 TYR 163 HD2 -0.01 0.07 -0.09 -0.04 7.15 7.08 2fpbB1 TYR 163 HE2 0.02 -0.01 -0.11 -0.04 6.85 6.71 2fpbB1 PHE 164 H -0.06 0.34 0.24 -0.55 8.34 8.31 2fpbB1 PHE 164 HA 0.02 0.22 0.66 -0.75 4.62 4.76 2fpbB1 PHE 164 HB2 -0.05 0.03 0.18 -0.04 3.15 3.27 2fpbB1 PHE 164 HB3 -0.03 0.01 -0.24 -0.04 3.06 2.76 2fpbB1 PHE 164 HD2 -0.15 -0.04 -0.28 -0.04 7.28 6.77 2fpbB1 PHE 164 HE2 -0.45 0.01 -0.30 -0.04 7.38 6.60 2fpbB1 PHE 164 HZ 0.17 0.00 -0.22 -0.04 7.32 7.23 2fpbB1 THR 165 H 0.14 0.32 0.33 -0.55 8.28 8.52 2fpbB1 THR 165 HA -0.20 0.35 1.09 -0.75 4.39 4.87 2fpbB1 THR 165 HB 0.01 -0.09 -0.10 -0.04 4.32 4.09 2fpbB1 THR 165 HG23 -0.04 -0.02 -0.14 -0.04 1.22 0.98 2fpbB1 ASP 166 H -0.14 0.61 0.33 -0.55 8.40 8.65 2fpbB1 ASP 166 HA -0.05 0.13 0.77 -0.75 4.63 4.72 2fpbB1 ASP 166 HB2 -0.11 0.02 -0.01 -0.04 2.71 2.57 2fpbB1 ASP 166 HB3 -0.02 0.01 0.13 -0.04 2.70 2.77 2fpbB1 VAL 167 H -0.22 0.65 0.15 -0.55 8.24 8.27 2fpbB1 VAL 167 HA -0.23 0.09 0.57 -0.75 4.13 3.80 2fpbB1 VAL 167 HB -0.49 -0.08 0.04 -0.04 2.12 1.55 2fpbB1 VAL 167 HG13 -1.03 0.06 -0.21 -0.04 0.97 -0.25 2fpbB1 VAL 167 HG23 -0.69 0.03 -0.12 -0.04 0.95 0.12 2fpbB1 SER 168 H 0.02 0.09 -0.10 -0.55 8.46 7.91 2fpbB1 SER 168 HA 0.01 0.14 0.36 -0.75 4.49 4.24 2fpbB1 SER 168 HB2 0.09 0.15 -0.29 -0.04 3.95 3.86 2fpbB1 SER 168 HB3 0.16 0.28 -0.06 -0.04 3.93 4.28 2fpbB1 THR 169 H -0.00 0.10 0.12 -0.55 8.28 7.95 2fpbB1 THR 169 HA 0.03 0.23 0.89 -0.75 4.39 4.79 2fpbB1 THR 169 HB -0.01 0.06 0.10 -0.04 4.32 4.43 2fpbB1 THR 169 HG23 0.01 0.07 -0.02 -0.04 1.22 1.24 2fpbB1 LEU 170 H -0.09 -0.12 0.04 -0.55 8.37 7.66 2fpbB1 LEU 170 HA -0.19 0.28 0.86 -0.75 4.35 4.55 2fpbB1 LEU 170 HB2 -0.84 -0.04 0.06 -0.04 1.64 0.78 2fpbB1 LEU 170 HB3 -0.68 0.04 -0.00 -0.04 1.64 0.96 2fpbB1 LEU 170 HG -0.13 -0.15 -0.04 -0.04 1.64 1.27 2fpbB1 LEU 170 HD13 -0.10 0.01 -0.03 -0.04 0.93 0.77 2fpbB1 LEU 170 HD23 -0.11 0.05 -0.12 -0.04 0.89 0.66 2fpbB1 TYR 171 H -0.01 -0.01 0.01 -0.55 8.29 7.73 2fpbB1 TYR 171 HA 0.07 0.25 0.92 -0.75 4.56 5.04 2fpbB1 TYR 171 HB2 0.14 -0.01 -0.08 -0.04 3.06 3.06 2fpbB1 TYR 171 HB3 0.09 0.01 0.00 -0.04 2.98 3.04 2fpbB1 TYR 171 HD2 0.06 0.01 -0.07 -0.04 7.15 7.10 2fpbB1 TYR 171 HE2 0.04 0.03 -0.11 -0.04 6.85 6.77 2fpbB1 ASP 172 H 0.14 0.10 0.08 -0.55 8.40 8.17 2fpbB1 ASP 172 HA 0.12 0.25 0.77 -0.75 4.63 5.03 2fpbB1 ASP 172 HB2 -0.44 -0.03 0.22 -0.04 2.71 2.42 2fpbB1 ASP 172 HB3 -0.07 0.27 0.01 -0.04 2.70 2.87 2fpbB1 ASP 173 H -1.57 0.23 0.11 -0.55 8.40 6.63 2fpbB1 ASP 173 HA -1.70 0.10 0.50 -0.75 4.63 2.78 2fpbB1 ASP 173 HB2 -0.32 -0.01 0.09 -0.04 2.71 2.42 2fpbB1 ASP 173 HB3 -0.08 0.04 -0.16 -0.04 2.70 2.46 2fpbB1 ARG 174 H -0.09 0.11 -0.37 -0.55 8.46 7.55 2fpbB1 ARG 174 HA -0.02 0.20 0.76 -0.75 4.34 4.52 2fpbB1 ARG 174 HB2 0.02 0.01 0.16 -0.04 1.90 2.05 2fpbB1 ARG 174 HB3 0.01 0.02 0.05 -0.04 1.80 1.83 2fpbB1 ARG 174 HG2 0.05 -0.12 -0.03 -0.04 1.67 1.54 2fpbB1 ARG 174 HG3 0.06 0.03 -0.04 -0.04 1.67 1.68 2fpbB1 ARG 174 HD2 0.01 -0.05 -0.11 -0.04 3.22 3.04 2fpbB1 ARG 174 HD3 0.05 0.05 -0.04 -0.04 3.22 3.23 2fpbB1 GLY 175 H -0.03 0.48 -0.36 -0.55 8.43 7.97 2fpbB1 GLY 175 HA2 -0.02 0.18 0.88 -0.51 4.01 4.53 2fpbB1 GLY 175 HA3 0.04 -0.00 0.27 -0.51 4.01 3.81 2fpbB1 VAL 176 H 0.04 0.22 -0.13 -0.55 8.24 7.83 2fpbB1 VAL 176 HA 0.13 0.06 0.34 -0.75 4.13 3.90 2fpbB1 VAL 176 HB 0.05 -0.01 0.04 -0.04 2.12 2.16 2fpbB1 VAL 176 HG13 0.03 0.02 -0.06 -0.04 0.97 0.92 2fpbB1 VAL 176 HG23 0.22 0.02 0.05 -0.04 0.95 1.20 2fpbB1 GLN 177 H -0.00 0.07 -0.17 -0.55 8.47 7.82 2fpbB1 GLN 177 HA 0.00 0.11 0.37 -0.75 4.36 4.08 2fpbB1 GLN 177 HB2 0.02 -0.02 0.09 -0.04 2.15 2.19 2fpbB1 GLN 177 HB3 -0.02 -0.04 0.03 -0.04 2.02 1.94 2fpbB1 GLN 177 HG2 0.03 -0.03 0.00 -0.04 2.40 2.37 2fpbB1 GLN 177 HG3 0.02 0.05 -0.06 -0.04 2.39 2.36 2fpbB1 GLN 177 HE21 0.18 0.01 0.04 -0.04 6.97 7.16 2fpbB1 GLN 177 HE22 0.06 0.04 0.05 -0.04 7.69 7.80 2fpbB1 GLN 178 H -0.18 0.02 -0.32 -0.55 8.47 7.44 2fpbB1 GLN 178 HA -0.16 0.05 0.29 -0.75 4.36 3.79 2fpbB1 GLN 178 HB2 -1.12 0.07 0.08 -0.04 2.15 1.15 2fpbB1 GLN 178 HB3 -0.67 -0.03 -0.00 -0.04 2.02 1.28 2fpbB1 GLN 178 HG2 -0.14 -0.00 0.00 -0.04 2.40 2.22 2fpbB1 GLN 178 HG3 -0.13 0.01 -0.01 -0.04 2.39 2.22 2fpbB1 GLN 178 HE21 -0.04 0.03 0.03 -0.04 6.97 6.95 2fpbB1 GLN 178 HE22 -0.07 -0.02 -0.02 -0.04 7.69 7.54 2fpbB1 ILE 179 H -0.25 0.40 -0.16 -0.55 8.25 7.70 2fpbB1 ILE 179 HA 0.04 -0.11 0.24 -0.75 4.18 3.60 2fpbB1 ILE 179 HB 0.01 0.18 0.16 -0.04 1.89 2.20 2fpbB1 ILE 179 HG12 0.29 -0.12 -0.00 -0.04 1.49 1.62 2fpbB1 ILE 179 HG13 0.11 0.09 -0.06 -0.04 1.21 1.32 2fpbB1 ILE 179 HG23 -0.02 -0.01 0.07 -0.04 0.93 0.93 2fpbB1 ILE 179 HD13 0.23 0.00 -0.17 -0.04 0.88 0.91 2fpbB1 ASP 181 HA 0.02 -0.08 0.35 -0.75 4.63 4.17 2fpbB1 ASP 181 HB2 -0.02 -0.06 0.06 -0.04 2.71 2.65 2fpbB1 ASP 181 HB3 0.01 -0.07 0.05 -0.04 2.70 2.64 2fpbB1 THR 182 H 0.01 0.86 -0.45 -0.55 8.28 8.15 2fpbB1 THR 182 HA 0.05 0.09 0.69 -0.75 4.39 4.46 2fpbB1 THR 182 HB 0.10 -0.08 0.06 -0.04 4.32 4.36 2fpbB1 THR 182 HG23 0.09 0.00 -0.04 -0.04 1.22 1.23 2fpbB1 SER 183 H 0.05 0.33 0.42 -0.55 8.46 8.71 2fpbB1 SER 183 HA 0.08 0.03 0.32 -0.75 4.49 4.16 2fpbB1 SER 183 HB2 0.07 0.01 -0.24 -0.04 3.95 3.75 2fpbB1 SER 183 HB3 0.11 0.01 0.30 -0.04 3.93 4.31 2fpbB1 ASP 184 H 0.09 0.56 0.10 -0.55 8.40 8.60 2fpbB1 ASP 184 HA 0.10 -0.01 0.21 -0.75 4.63 4.18 2fpbB1 ASP 184 HB2 0.20 0.05 0.10 -0.04 2.71 3.03 2fpbB1 ASP 184 HB3 0.11 -0.00 0.20 -0.04 2.70 2.97 2fpbB1 LYS 185 H 0.03 0.15 0.11 -0.55 8.42 8.16 2fpbB1 LYS 185 HA 0.04 0.19 0.87 -0.75 4.32 4.66 2fpbB1 LYS 185 HB2 -0.16 0.17 0.04 -0.04 1.87 1.88 2fpbB1 LYS 185 HB3 -0.08 -0.04 0.19 -0.04 1.79 1.82 2fpbB1 LYS 185 HG2 -0.13 0.09 -0.07 -0.04 1.46 1.31 2fpbB1 LYS 185 HG3 -0.22 -0.10 -0.30 -0.04 1.46 0.80 2fpbB1 LYS 185 HD2 -0.77 0.03 -0.03 -0.04 1.69 0.87 2fpbB1 LYS 185 HD3 -0.23 -0.02 0.02 -0.04 1.68 1.40 2fpbB1 LYS 185 HE2 -0.16 0.15 0.01 -0.04 2.99 2.95 2fpbB1 LYS 185 HE3 -0.33 -0.06 -0.02 -0.04 2.99 2.54 2fpbB1 THR 186 H 0.02 0.12 -0.10 -0.55 8.28 7.77 2fpbB1 THR 186 HA -0.01 0.19 0.87 -0.75 4.39 4.69 2fpbB1 THR 186 HB -0.01 0.04 0.22 -0.04 4.32 4.53 2fpbB1 THR 186 HG23 -0.01 0.01 -0.08 -0.04 1.22 1.10 2fpbB1 GLY 187 H -0.01 0.51 0.13 -0.55 8.43 8.51 2fpbB1 GLY 187 HA2 -0.05 0.14 0.42 -0.51 4.01 4.01 2fpbB1 GLY 187 HA3 -0.06 -0.01 0.32 -0.51 4.01 3.75 2fpbB1 ARG 188 H -0.08 0.60 0.34 -0.55 8.46 8.76 2fpbB1 ARG 188 HA -0.07 0.18 0.86 -0.75 4.34 4.57 2fpbB1 ARG 188 HB2 -0.03 -0.06 0.04 -0.04 1.90 1.81 2fpbB1 ARG 188 HB3 -0.06 0.02 -0.03 -0.04 1.80 1.69 2fpbB1 ARG 188 HG2 -0.02 0.04 -0.02 -0.04 1.67 1.62 2fpbB1 ARG 188 HG3 -0.01 0.10 -0.45 -0.04 1.67 1.26 2fpbB1 ARG 188 HD2 0.04 -0.01 -0.06 -0.04 3.22 3.14 2fpbB1 ARG 188 HD3 0.02 0.01 -0.05 -0.04 3.22 3.15 2fpbB1 LEU 189 H -0.12 0.28 0.13 -0.55 8.37 8.11 2fpbB1 LEU 189 HA -0.21 0.34 0.85 -0.75 4.35 4.58 2fpbB1 LEU 189 HB2 -0.13 0.01 -0.09 -0.04 1.64 1.39 2fpbB1 LEU 189 HB3 -0.20 -0.02 0.05 -0.04 1.64 1.43 2fpbB1 LEU 189 HG -0.19 0.03 -0.02 -0.04 1.64 1.42 2fpbB1 LEU 189 HD13 -0.07 0.07 -0.04 -0.04 0.93 0.85 2fpbB1 LEU 189 HD23 -0.26 -0.01 -0.14 -0.04 0.89 0.43 2fpbB1 LYS 191 HA -0.06 0.05 0.50 -0.75 4.32 4.05 2fpbB1 LYS 191 HB2 -0.29 -0.02 -0.03 -0.04 1.87 1.49 2fpbB1 LYS 191 HB3 -0.09 -0.08 0.01 -0.04 1.79 1.59 2fpbB1 LYS 191 HG2 0.06 0.03 -0.02 -0.04 1.46 1.48 2fpbB1 LYS 191 HG3 0.01 -0.08 0.08 -0.04 1.46 1.42 2fpbB1 LYS 191 HD2 -0.04 -0.03 -0.15 -0.04 1.69 1.43 2fpbB1 LYS 191 HD3 0.09 -0.01 -0.08 -0.04 1.68 1.64 2fpbB1 LYS 191 HE2 0.04 -0.00 -0.07 -0.04 2.99 2.91 2fpbB1 LYS 191 HE3 0.02 -0.03 -0.09 -0.04 2.99 2.84 2fpbB1 TYR 192 H 0.09 0.70 0.40 -0.55 8.29 8.92 2fpbB1 TYR 192 HA 0.07 0.33 0.82 -0.75 4.56 5.03 2fpbB1 TYR 192 HB2 0.17 0.01 -0.06 -0.04 3.06 3.13 2fpbB1 TYR 192 HB3 -0.05 -0.04 0.03 -0.04 2.98 2.87 2fpbB1 TYR 192 HD2 0.03 -0.02 -0.29 -0.04 7.15 6.83 2fpbB1 TYR 192 HE2 0.08 0.10 -0.18 -0.04 6.85 6.81 2fpbB1 ASP 193 H -0.76 0.35 -0.00 -0.55 8.40 7.43 2fpbB1 ASP 193 HA -0.15 0.17 0.79 -0.75 4.63 4.69 2fpbB1 ASP 193 HB2 -0.13 0.10 -0.13 -0.04 2.71 2.51 2fpbB1 ASP 193 HB3 -0.20 -0.07 0.18 -0.04 2.70 2.57 2fpbB1 PRO 194 HA 0.09 0.08 0.16 -0.51 4.44 4.26 2fpbB1 PRO 194 HB2 0.09 0.02 0.01 -0.04 2.28 2.36 2fpbB1 PRO 194 HB3 0.23 0.04 0.04 -0.04 2.02 2.29 2fpbB1 PRO 194 HG2 0.09 0.15 0.09 -0.04 2.03 2.32 2fpbB1 PRO 194 HG3 0.23 0.03 0.03 -0.04 2.03 2.28 2fpbB1 PRO 194 HD2 -0.03 0.08 0.06 -0.04 3.68 3.74 2fpbB1 PRO 194 HD3 -0.03 0.22 0.19 -0.04 3.65 4.00 2fpbB1 SER 195 H -0.03 0.10 -0.22 -0.55 8.46 7.77 2fpbB1 SER 195 HA 0.00 0.09 0.42 -0.75 4.49 4.25 2fpbB1 SER 195 HB2 -0.00 0.02 0.04 -0.04 3.95 3.96 2fpbB1 SER 195 HB3 -0.00 0.02 0.08 -0.04 3.93 4.00 2fpbB1 THR 196 H -0.09 0.10 -0.07 -0.55 8.28 7.68 2fpbB1 THR 196 HA -0.04 0.15 0.64 -0.75 4.39 4.39 2fpbB1 THR 196 HB -0.05 0.01 0.11 -0.04 4.32 4.35 2fpbB1 THR 196 HG23 -0.03 -0.01 -0.01 -0.04 1.22 1.13 2fpbB1 LYS 197 H -0.18 0.33 -0.34 -0.55 8.42 7.68 2fpbB1 LYS 197 HA -0.33 -0.03 0.14 -0.75 4.32 3.35 2fpbB1 LYS 197 HB2 -0.00 0.09 -0.29 -0.04 1.87 1.62 2fpbB1 LYS 197 HB3 0.06 -0.05 0.20 -0.04 1.79 1.96 2fpbB1 LYS 197 HG2 0.18 -0.05 0.03 -0.04 1.46 1.57 2fpbB1 LYS 197 HG3 0.05 0.32 0.02 -0.04 1.46 1.80 2fpbB1 LYS 197 HD2 0.03 0.01 -0.06 -0.04 1.69 1.63 2fpbB1 LYS 197 HD3 0.06 -0.06 0.00 -0.04 1.68 1.64 2fpbB1 LYS 197 HE2 0.08 -0.04 0.00 -0.04 2.99 3.00 2fpbB1 LYS 197 HE3 0.05 0.11 0.02 -0.04 2.99 3.13 2fpbB1 GLU 198 H -0.27 0.05 -0.31 -0.55 8.60 7.53 2fpbB1 GLU 198 HA -0.03 0.19 0.88 -0.75 4.29 4.58 2fpbB1 GLU 198 HB2 -0.08 -0.09 -0.02 -0.04 2.09 1.85 2fpbB1 GLU 198 HB3 -0.03 0.05 -0.13 -0.04 1.99 1.84 2fpbB1 GLU 198 HG2 -0.00 -0.00 -0.02 -0.04 2.34 2.28 2fpbB1 GLU 198 HG3 -0.03 0.20 -0.19 -0.04 2.34 2.28 2fpbB1 THR 199 H 0.09 0.15 0.20 -0.55 8.28 8.18 2fpbB1 THR 199 HA 0.23 0.31 0.93 -0.75 4.39 5.11 2fpbB1 THR 199 HB 0.18 -0.09 0.21 -0.04 4.32 4.59 2fpbB1 THR 199 HG23 0.43 0.01 -0.22 -0.04 1.22 1.39 2fpbB1 THR 200 H 0.08 0.92 0.30 -0.55 8.28 9.03 2fpbB1 THR 200 HA 0.04 0.06 1.02 -0.75 4.39 4.75 2fpbB1 THR 200 HB 0.03 0.04 0.02 -0.04 4.32 4.37 2fpbB1 THR 200 HG23 0.03 0.02 -0.01 -0.04 1.22 1.22 2fpbB1 LEU 201 H 0.02 0.05 0.08 -0.55 8.37 7.98 2fpbB1 LEU 201 HA -0.05 0.16 0.71 -0.75 4.35 4.42 2fpbB1 LEU 201 HB2 0.02 -0.08 0.00 -0.04 1.64 1.54 2fpbB1 LEU 201 HB3 0.01 -0.02 0.08 -0.04 1.64 1.67 2fpbB1 LEU 201 HG -0.03 0.06 -0.22 -0.04 1.64 1.41 2fpbB1 LEU 201 HD13 -0.04 0.03 0.05 -0.04 0.93 0.93 2fpbB1 LEU 201 HD23 0.00 0.00 -0.07 -0.04 0.89 0.78 2fpbB1 LEU 202 H -0.13 0.79 0.29 -0.55 8.37 8.77 2fpbB1 LEU 202 HA -0.08 0.17 0.66 -0.75 4.35 4.35 2fpbB1 LEU 202 HB2 -0.35 0.01 0.04 -0.04 1.64 1.31 2fpbB1 LEU 202 HB3 -0.91 -0.06 -0.01 -0.04 1.64 0.63 2fpbB1 LEU 202 HG -0.08 0.23 -0.25 -0.04 1.64 1.51 2fpbB1 LEU 202 HD13 -0.00 -0.05 -0.20 -0.04 0.93 0.64 2fpbB1 LEU 202 HD23 0.07 -0.00 -0.15 -0.04 0.89 0.77 2fpbB1 LYS 204 HA -0.03 -0.06 0.27 -0.75 4.32 3.75 2fpbB1 LYS 204 HB2 -0.01 -0.02 0.00 -0.04 1.87 1.79 2fpbB1 LYS 204 HB3 -0.01 -0.04 0.01 -0.04 1.79 1.71 2fpbB1 LYS 204 HG2 -0.00 0.01 -0.08 -0.04 1.46 1.35 2fpbB1 LYS 204 HG3 -0.00 0.03 -0.15 -0.04 1.46 1.30 2fpbB1 LYS 204 HD2 0.00 0.00 -0.06 -0.04 1.69 1.59 2fpbB1 LYS 204 HD3 0.00 -0.00 -0.06 -0.04 1.68 1.58 2fpbB1 LYS 204 HE2 -0.01 0.01 -0.04 -0.04 2.99 2.91 2fpbB1 LYS 204 HE3 -0.00 -0.01 -0.03 -0.04 2.99 2.90 2fpbB1 GLU 205 H -0.02 0.08 0.04 -0.55 8.60 8.16 2fpbB1 GLU 205 HA -0.03 0.14 0.32 -0.75 4.29 3.97 2fpbB1 GLU 205 HB2 -0.02 0.15 -0.25 -0.04 2.09 1.93 2fpbB1 GLU 205 HB3 -0.03 -0.03 0.21 -0.04 1.99 2.09 2fpbB1 GLU 205 HG2 -0.02 0.07 0.13 -0.04 2.34 2.47 2fpbB1 GLU 205 HG3 -0.01 -0.08 -0.07 -0.04 2.34 2.14 2fpbB1 LEU 206 H -0.03 0.55 -0.29 -0.55 8.37 8.06 2fpbB1 LEU 206 HA -0.01 0.17 0.66 -0.75 4.35 4.41 2fpbB1 LEU 206 HB2 -0.04 -0.15 -0.31 -0.04 1.64 1.10 2fpbB1 LEU 206 HB3 -0.03 -0.05 -0.19 -0.04 1.64 1.34 2fpbB1 LEU 206 HG -0.04 0.20 -0.40 -0.04 1.64 1.35 2fpbB1 LEU 206 HD13 -0.07 -0.04 -0.42 -0.04 0.93 0.36 2fpbB1 LEU 206 HD23 -0.02 0.01 -0.21 -0.04 0.89 0.63 2fpbB1 HIS 207 H 0.07 0.16 -0.01 -0.55 8.41 8.08 2fpbB1 HIS 207 HA -0.04 0.23 0.52 -0.75 4.63 4.60 2fpbB1 HIS 207 HB2 -0.04 0.05 0.07 -0.04 3.26 3.30 2fpbB1 HIS 207 HB3 -0.06 -0.18 0.12 -0.04 3.20 3.03 2fpbB1 HIS 207 HD2 -0.02 0.20 -0.19 -0.04 6.97 6.92 2fpbB1 HIS 207 HE1 -0.04 0.04 -0.06 -0.04 7.75 7.64 2fpbB1 VAL 208 H 0.02 0.33 0.16 -0.55 8.24 8.19 2fpbB1 VAL 208 HA -0.15 0.15 0.43 -0.75 4.13 3.81 2fpbB1 VAL 208 HB -0.05 0.00 0.32 -0.04 2.12 2.35 2fpbB1 VAL 208 HG13 -0.33 -0.02 0.05 -0.04 0.97 0.62 2fpbB1 VAL 208 HG23 -0.04 0.04 -0.01 -0.04 0.95 0.90 2fpbB1 PRO 209 HA -0.08 0.48 0.65 -0.51 4.44 4.97 2fpbB1 PRO 209 HB2 -0.10 0.00 0.05 -0.04 2.28 2.19 2fpbB1 PRO 209 HB3 -0.07 0.02 -0.10 -0.04 2.02 1.82 2fpbB1 PRO 209 HG2 -0.14 0.10 -0.06 -0.04 2.03 1.89 2fpbB1 PRO 209 HG3 -0.08 -0.06 -0.14 -0.04 2.03 1.71 2fpbB1 PRO 209 HD2 -0.19 0.08 0.23 -0.04 3.68 3.75 2fpbB1 PRO 209 HD3 -0.08 0.04 0.04 -0.04 3.65 3.60 2fpbB1 GLY 210 H -0.15 0.39 0.25 -0.55 8.43 8.37 2fpbB1 GLY 210 HA2 -0.56 0.03 0.34 -0.51 4.01 3.30 2fpbB1 GLY 210 HA3 -0.29 0.04 0.31 -0.51 4.01 3.56 2fpbB1 GLY 211 H -0.01 0.24 -0.28 -0.55 8.43 7.83 2fpbB1 GLY 211 HA2 0.10 0.06 0.49 -0.51 4.01 4.15 2fpbB1 GLY 211 HA3 0.08 0.20 0.24 -0.51 4.01 4.02 2fpbB1 ALA 212 H 0.09 0.33 0.21 -0.55 8.40 8.48 2fpbB1 ALA 212 HA 0.04 0.31 0.77 -0.75 4.34 4.70 2fpbB1 ALA 212 HB3 0.04 -0.00 -0.17 -0.04 1.41 1.24 2fpbB1 GLU 213 H 0.04 0.58 0.28 -0.55 8.60 8.96 2fpbB1 GLU 213 HA 0.09 0.10 0.55 -0.75 4.29 4.27 2fpbB1 GLU 213 HB2 0.16 0.32 -0.20 -0.04 2.09 2.34 2fpbB1 GLU 213 HB3 0.22 -0.07 -0.14 -0.04 1.99 1.96 2fpbB1 GLU 213 HG2 0.24 -0.16 -0.05 -0.04 2.34 2.33 2fpbB1 GLU 213 HG3 0.23 0.23 -0.10 -0.04 2.34 2.66 2fpbB1 VAL 214 H 0.04 0.16 0.15 -0.55 8.24 8.04 2fpbB1 VAL 214 HA -0.22 0.22 0.92 -0.75 4.13 4.30 2fpbB1 VAL 214 HB -0.15 0.01 -0.01 -0.04 2.12 1.93 2fpbB1 VAL 214 HG13 0.03 -0.02 -0.09 -0.04 0.97 0.85 2fpbB1 VAL 214 HG23 -0.18 0.05 0.03 -0.04 0.95 0.81 2fpbB1 SER 215 H -0.53 0.49 0.32 -0.55 8.46 8.19 2fpbB1 SER 215 HA -0.05 0.20 0.66 -0.75 4.49 4.54 2fpbB1 SER 215 HB2 -0.45 -0.06 0.14 -0.04 3.95 3.54 2fpbB1 SER 215 HB3 -2.28 0.16 0.12 -0.04 3.93 1.88 2fpbB1 ALA 216 H -0.14 0.25 0.24 -0.55 8.40 8.20 2fpbB1 ALA 216 HA -0.08 0.11 0.49 -0.75 4.34 4.10 2fpbB1 ALA 216 HB3 -0.11 0.03 0.16 -0.04 1.41 1.46 2fpbB1 ASP 217 H -0.10 -0.03 -0.30 -0.55 8.40 7.43 2fpbB1 ASP 217 HA -0.01 0.33 1.02 -0.75 4.63 5.21 2fpbB1 ASP 217 HB2 0.03 0.06 0.15 -0.04 2.71 2.91 2fpbB1 ASP 217 HB3 0.01 0.03 -0.01 -0.04 2.70 2.68 2fpbB1 SER 218 H -0.12 0.37 -0.23 -0.55 8.46 7.92 2fpbB1 SER 218 HA -0.07 0.06 0.31 -0.75 4.49 4.03 2fpbB1 SER 218 HB2 0.02 0.39 -0.18 -0.04 3.95 4.14 2fpbB1 SER 218 HB3 0.04 -0.00 0.13 -0.04 3.93 4.05 2fpbB1 SER 219 H -0.09 -0.06 -0.27 -0.55 8.46 7.49 2fpbB1 SER 219 HA 0.13 0.16 0.32 -0.75 4.49 4.35 2fpbB1 SER 219 HB2 0.41 0.05 -0.01 -0.04 3.95 4.36 2fpbB1 SER 219 HB3 0.18 0.07 -0.03 -0.04 3.93 4.11 2fpbB1 PHE 220 H -0.40 0.01 0.03 -0.55 8.34 7.43 2fpbB1 PHE 220 HA -0.11 0.07 0.88 -0.75 4.62 4.70 2fpbB1 PHE 220 HB2 -0.62 0.18 -0.06 -0.04 3.15 2.62 2fpbB1 PHE 220 HB3 -0.64 0.03 -0.24 -0.04 3.06 2.17 2fpbB1 PHE 220 HD2 -0.18 0.03 -0.34 -0.04 7.28 6.75 2fpbB1 PHE 220 HE2 -0.29 0.01 -0.10 -0.04 7.38 6.97 2fpbB1 PHE 220 HZ -0.06 -0.01 -0.01 -0.04 7.32 7.19 2fpbB1 VAL 221 H 0.06 0.95 0.40 -0.55 8.24 9.09 2fpbB1 VAL 221 HA -0.17 0.16 1.10 -0.75 4.13 4.47 2fpbB1 VAL 221 HB -0.07 0.01 -0.18 -0.04 2.12 1.84 2fpbB1 VAL 221 HG13 -0.31 -0.01 -0.11 -0.04 0.97 0.50 2fpbB1 VAL 221 HG23 -0.12 0.04 -0.10 -0.04 0.95 0.72 2fpbB1 LEU 222 H -0.01 0.73 0.36 -0.55 8.37 8.91 2fpbB1 LEU 222 HA -0.04 0.39 1.11 -0.75 4.35 5.06 2fpbB1 LEU 222 HB2 -0.00 -0.09 -0.01 -0.04 1.64 1.49 2fpbB1 LEU 222 HB3 -0.02 0.05 -0.05 -0.04 1.64 1.58 2fpbB1 LEU 222 HG 0.06 -0.07 -0.19 -0.04 1.64 1.40 2fpbB1 LEU 222 HD13 -0.52 -0.01 -0.21 -0.04 0.93 0.15 2fpbB1 LEU 222 HD23 -0.26 0.01 -0.20 -0.04 0.89 0.40 2fpbB1 VAL 223 H -0.03 0.56 0.32 -0.55 8.24 8.53 2fpbB1 VAL 223 HA 0.01 0.24 0.68 -0.75 4.13 4.30 2fpbB1 VAL 223 HB -0.03 0.06 0.11 -0.04 2.12 2.22 2fpbB1 VAL 223 HG13 -0.04 -0.01 -0.27 -0.04 0.97 0.61 2fpbB1 VAL 223 HG23 -0.03 0.01 -0.35 -0.04 0.95 0.54 2fpbB1 ALA 224 H 0.01 0.59 0.18 -0.55 8.40 8.63 2fpbB1 ALA 224 HA -0.01 0.18 0.80 -0.75 4.34 4.55 2fpbB1 ALA 224 HB3 0.04 -0.02 -0.12 -0.04 1.41 1.26 2fpbB1 GLU 225 H -0.03 0.67 0.22 -0.55 8.60 8.91 2fpbB1 GLU 225 HA -0.02 0.13 0.70 -0.75 4.29 4.35 2fpbB1 GLU 225 HB2 -0.01 0.00 0.16 -0.04 2.09 2.20 2fpbB1 GLU 225 HB3 0.04 -0.01 0.05 -0.04 1.99 2.03 2fpbB1 GLU 225 HG2 0.01 -0.10 -0.14 -0.04 2.34 2.07 2fpbB1 GLU 225 HG3 -0.01 0.04 -0.22 -0.04 2.34 2.10 2fpbB1 PHE 226 H 0.04 0.63 0.24 -0.55 8.34 8.70 2fpbB1 PHE 226 HA -0.12 0.12 0.36 -0.75 4.62 4.22 2fpbB1 PHE 226 HB2 -0.17 0.03 0.24 -0.04 3.15 3.21 2fpbB1 PHE 226 HB3 -0.21 -0.00 0.26 -0.04 3.06 3.07 2fpbB1 PHE 226 HD2 -0.11 0.13 -0.24 -0.04 7.28 7.02 2fpbB1 PHE 226 HE2 0.02 0.02 -0.10 -0.04 7.38 7.28 2fpbB1 PHE 226 HZ 0.16 0.00 -0.03 -0.04 7.32 7.41 2fpbB1 LEU 227 H -0.22 0.49 -0.00 -0.55 8.37 8.09 2fpbB1 LEU 227 HA -0.51 0.09 0.42 -0.75 4.35 3.59 2fpbB1 LEU 227 HB2 -0.90 0.07 -0.02 -0.04 1.64 0.74 2fpbB1 LEU 227 HB3 -0.98 0.02 0.06 -0.04 1.64 0.70 2fpbB1 LEU 227 HG 0.00 -0.03 -0.04 -0.04 1.64 1.53 2fpbB1 LEU 227 HD13 -0.07 0.02 -0.06 -0.04 0.93 0.78 2fpbB1 LEU 227 HD23 -0.08 0.01 -0.05 -0.04 0.89 0.73 2fpbB1 SER 228 H -0.29 0.31 -0.38 -0.55 8.46 7.55 2fpbB1 SER 228 HA -0.10 0.22 0.90 -0.75 4.49 4.76 2fpbB1 SER 228 HB2 0.11 -0.07 0.01 -0.04 3.95 3.96 2fpbB1 SER 228 HB3 0.03 -0.03 0.04 -0.04 3.93 3.93 2fpbB1 HIS 229 H -0.39 0.26 -0.04 -0.55 8.41 7.70 2fpbB1 HIS 229 HA -0.15 0.09 0.47 -0.75 4.63 4.29 2fpbB1 HIS 229 HB2 -0.08 0.13 -0.21 -0.04 3.26 3.05 2fpbB1 HIS 229 HB3 -0.10 -0.06 0.06 -0.04 3.20 3.06 2fpbB1 HIS 229 HD2 -0.08 0.03 -0.15 -0.04 6.97 6.73 2fpbB1 HIS 229 HE1 -0.22 -0.00 0.06 -0.04 7.75 7.54 2fpbB1 GLN 230 H -0.05 0.22 -0.05 -0.55 8.47 8.04 2fpbB1 GLN 230 HA -0.07 0.15 0.93 -0.75 4.36 4.62 2fpbB1 GLN 230 HB2 -0.06 -0.01 0.02 -0.04 2.15 2.06 2fpbB1 GLN 230 HB3 -0.03 0.10 -0.14 -0.04 2.02 1.91 2fpbB1 GLN 230 HG2 -0.03 -0.06 -0.13 -0.04 2.40 2.14 2fpbB1 GLN 230 HG3 -0.03 -0.08 -0.25 -0.04 2.39 1.98 2fpbB1 GLN 230 HE21 -0.00 0.01 -0.05 -0.04 6.97 6.88 2fpbB1 GLN 230 HE22 0.00 -0.06 -0.08 -0.04 7.69 7.51 2fpbB1 ILE 231 H -0.16 0.67 0.34 -0.55 8.25 8.55 2fpbB1 ILE 231 HA -0.08 0.26 0.99 -0.75 4.18 4.60 2fpbB1 ILE 231 HB -0.32 -0.11 0.08 -0.04 1.89 1.50 2fpbB1 ILE 231 HG12 -0.31 0.03 -0.15 -0.04 1.49 1.02 2fpbB1 ILE 231 HG13 -0.75 -0.03 -0.18 -0.04 1.21 0.21 2fpbB1 ILE 231 HG23 -0.06 0.01 -0.21 -0.04 0.93 0.63 2fpbB1 ILE 231 HD13 -0.03 0.02 -0.23 -0.04 0.88 0.61 2fpbB1 VAL 232 H -0.06 0.83 0.33 -0.55 8.24 8.79 2fpbB1 VAL 232 HA -0.09 0.12 1.00 -0.75 4.13 4.40 2fpbB1 VAL 232 HB -0.03 0.01 0.01 -0.04 2.12 2.07 2fpbB1 VAL 232 HG13 -0.01 0.01 -0.23 -0.04 0.97 0.69 2fpbB1 VAL 232 HG23 -0.03 -0.00 -0.25 -0.04 0.95 0.63 2fpbB1 LYS 233 H -0.16 0.68 0.31 -0.55 8.42 8.70 2fpbB1 LYS 233 HA -0.24 0.17 0.93 -0.75 4.32 4.43 2fpbB1 LYS 233 HB2 -0.45 -0.03 -0.06 -0.04 1.87 1.29 2fpbB1 LYS 233 HB3 -0.56 0.03 0.10 -0.04 1.79 1.31 2fpbB1 LYS 233 HG2 -1.13 0.02 -0.24 -0.04 1.46 0.07 2fpbB1 LYS 233 HG3 -1.09 -0.05 -0.12 -0.04 1.46 0.16 2fpbB1 LYS 233 HD2 -1.11 0.03 -0.10 -0.04 1.69 0.48 2fpbB1 LYS 233 HD3 -2.32 -0.05 -0.14 -0.04 1.68 -0.87 2fpbB1 LYS 233 HE2 -1.92 -0.11 -0.05 -0.04 2.99 0.87 2fpbB1 LYS 233 HE3 -0.71 0.05 -0.04 -0.04 2.99 2.25 2fpbB1 TYR 234 H -0.03 1.03 0.38 -0.55 8.29 9.12 2fpbB1 TYR 234 HA -0.04 0.29 0.99 -0.75 4.56 5.04 2fpbB1 TYR 234 HB2 -0.04 -0.03 -0.09 -0.04 3.06 2.86 2fpbB1 TYR 234 HB3 -0.06 -0.07 0.09 -0.04 2.98 2.89 2fpbB1 TYR 234 HD2 0.02 -0.11 -0.32 -0.04 7.15 6.69 2fpbB1 TYR 234 HE2 0.06 0.08 -0.13 -0.04 6.85 6.82 2fpbB1 TRP 235 H -0.19 0.64 0.23 -0.55 7.97 8.10 2fpbB1 TRP 235 HA 0.04 0.01 0.76 -0.75 4.62 4.68 2fpbB1 TRP 235 HB2 -0.18 0.26 0.08 -0.04 3.23 3.35 2fpbB1 TRP 235 HB3 -0.09 -0.03 -0.26 -0.04 3.23 2.81 2fpbB1 TRP 235 HD1 0.08 0.17 0.07 -0.04 7.22 7.51 2fpbB1 TRP 235 HE1 0.06 -0.09 -0.09 -0.04 10.20 10.05 2fpbB1 TRP 235 HE3 -0.10 0.21 -0.08 -0.04 7.59 7.58 2fpbB1 TRP 235 HZ2 -0.07 -0.04 -0.07 -0.04 7.44 7.23 2fpbB1 TRP 235 HZ3 -0.07 0.02 -0.13 -0.04 7.13 6.90 2fpbB1 TRP 235 HH2 -0.07 0.00 -0.07 -0.04 7.19 7.01 2fpbB1 LEU 236 H 0.22 0.38 0.38 -0.55 8.37 8.80 2fpbB1 LEU 236 HA 0.19 0.12 0.78 -0.75 4.35 4.68 2fpbB1 LEU 236 HB2 0.11 0.11 -0.03 -0.04 1.64 1.80 2fpbB1 LEU 236 HB3 0.15 -0.03 0.03 -0.04 1.64 1.75 2fpbB1 LEU 236 HG 0.08 -0.07 -0.14 -0.04 1.64 1.48 2fpbB1 LEU 236 HD13 -0.21 -0.03 -0.25 -0.04 0.93 0.41 2fpbB1 LEU 236 HD23 0.23 0.01 -0.12 -0.04 0.89 0.97 2fpbB1 GLU 237 H 0.30 0.39 0.22 -0.55 8.60 8.97 2fpbB1 GLU 237 HA 0.08 0.19 0.83 -0.75 4.29 4.63 2fpbB1 GLU 237 HB2 0.13 0.01 -0.03 -0.04 2.09 2.15 2fpbB1 GLU 237 HB3 0.11 -0.04 -0.02 -0.04 1.99 2.00 2fpbB1 GLU 237 HG2 0.06 -0.03 0.00 -0.04 2.34 2.34 2fpbB1 GLU 237 HG3 0.06 -0.05 0.12 -0.04 2.34 2.42 2fpbB1 GLY 238 H 0.02 0.10 0.13 -0.55 8.43 8.14 2fpbB1 GLY 238 HA2 -0.04 0.02 0.36 -0.51 4.01 3.84 2fpbB1 GLY 238 HA3 -0.10 0.13 0.61 -0.51 4.01 4.13 2fpbB1 PRO 239 HA -0.09 0.14 0.39 -0.51 4.44 4.37 2fpbB1 PRO 239 HB2 -0.14 0.06 0.00 -0.04 2.28 2.16 2fpbB1 PRO 239 HB3 -0.09 0.03 0.10 -0.04 2.02 2.02 2fpbB1 PRO 239 HG2 -0.13 0.06 0.08 -0.04 2.03 2.00 2fpbB1 PRO 239 HG3 -0.08 0.03 0.09 -0.04 2.03 2.02 2fpbB1 PRO 239 HD2 -0.27 0.10 0.18 -0.04 3.68 3.66 2fpbB1 PRO 239 HD3 -0.12 0.08 0.25 -0.04 3.65 3.81 2fpbB1 LYS 240 H -0.45 0.09 -0.18 -0.55 8.42 7.32 2fpbB1 LYS 240 HA -0.23 0.17 0.67 -0.75 4.32 4.17 2fpbB1 LYS 240 HB2 -1.38 -0.03 0.02 -0.04 1.87 0.44 2fpbB1 LYS 240 HB3 -0.59 0.03 0.10 -0.04 1.79 1.28 2fpbB1 LYS 240 HG2 -0.31 0.05 -0.01 -0.04 1.46 1.15 2fpbB1 LYS 240 HG3 -0.52 -0.07 -0.04 -0.04 1.46 0.80 2fpbB1 LYS 240 HD2 -1.70 0.00 -0.05 -0.04 1.69 -0.10 2fpbB1 LYS 240 HD3 -0.23 0.04 -0.05 -0.04 1.68 1.40 2fpbB1 LYS 240 HE2 -0.17 0.00 -0.03 -0.04 2.99 2.75 2fpbB1 LYS 240 HE3 -0.37 -0.04 -0.03 -0.04 2.99 2.51 2fpbB1 LYS 241 H -0.12 0.20 -0.68 -0.55 8.42 7.26 2fpbB1 LYS 241 HA 0.05 0.02 0.07 -0.75 4.32 3.71 2fpbB1 LYS 241 HB2 0.04 -0.07 -0.39 -0.04 1.87 1.40 2fpbB1 LYS 241 HB3 -0.02 0.08 -0.04 -0.04 1.79 1.77 2fpbB1 LYS 241 HG2 0.02 -0.07 -0.25 -0.04 1.46 1.11 2fpbB1 LYS 241 HG3 0.03 0.06 -0.19 -0.04 1.46 1.32 2fpbB1 LYS 241 HD2 0.06 -0.08 -0.02 -0.04 1.69 1.60 2fpbB1 LYS 241 HD3 0.08 0.41 0.06 -0.04 1.68 2.18 2fpbB1 LYS 241 HE2 0.04 -0.06 0.05 -0.04 2.99 2.98 2fpbB1 LYS 241 HE3 0.03 -0.05 0.01 -0.04 2.99 2.94 2fpbB1 GLY 242 H -0.18 0.55 0.26 -0.55 8.43 8.52 2fpbB1 GLY 242 HA2 -0.08 0.01 0.37 -0.51 4.01 3.80 2fpbB1 GLY 242 HA3 -0.00 0.05 0.54 -0.51 4.01 4.08 2fpbB1 THR 243 H -0.10 0.34 -0.14 -0.55 8.28 7.82 2fpbB1 THR 243 HA 0.01 0.22 1.06 -0.75 4.39 4.92 2fpbB1 THR 243 HB 0.06 0.03 0.10 -0.04 4.32 4.46 2fpbB1 THR 243 HG23 0.01 -0.01 -0.08 -0.04 1.22 1.10 2fpbB1 ALA 244 H 0.07 0.16 0.21 -0.55 8.40 8.30 2fpbB1 ALA 244 HA 0.06 0.40 1.03 -0.75 4.34 5.08 2fpbB1 ALA 244 HB3 0.13 -0.02 -0.03 -0.04 1.41 1.45 2fpbB1 GLU 245 H -0.01 0.35 0.28 -0.55 8.60 8.67 2fpbB1 GLU 245 HA 0.03 0.05 0.53 -0.75 4.29 4.14 2fpbB1 GLU 245 HB2 0.06 0.02 0.03 -0.04 2.09 2.16 2fpbB1 GLU 245 HB3 0.12 0.12 -0.05 -0.04 1.99 2.15 2fpbB1 GLU 245 HG2 0.16 0.03 -0.20 -0.04 2.34 2.30 2fpbB1 GLU 245 HG3 -0.06 -0.06 -0.17 -0.04 2.34 2.02 2fpbB1 VAL 246 H -0.01 0.14 0.14 -0.55 8.24 7.96 2fpbB1 VAL 246 HA -0.06 0.05 0.46 -0.75 4.13 3.83 2fpbB1 VAL 246 HB -0.02 -0.00 0.11 -0.04 2.12 2.16 2fpbB1 VAL 246 HG13 -0.05 0.01 -0.18 -0.04 0.97 0.71 2fpbB1 VAL 246 HG23 -0.02 0.00 0.00 -0.04 0.95 0.90 2fpbB1 LEU 247 H -0.12 0.72 0.49 -0.55 8.37 8.92 2fpbB1 LEU 247 HA -0.11 0.13 0.63 -0.75 4.35 4.24 2fpbB1 LEU 247 HB2 -0.23 -0.05 -0.11 -0.04 1.64 1.21 2fpbB1 LEU 247 HB3 -0.20 -0.00 -0.05 -0.04 1.64 1.34 2fpbB1 LEU 247 HG -0.15 -0.04 -0.36 -0.04 1.64 1.06 2fpbB1 LEU 247 HD13 -0.16 -0.01 -0.14 -0.04 0.93 0.58 2fpbB1 LEU 247 HD23 -0.18 -0.03 -0.21 -0.04 0.89 0.43 2fpbB1 VAL 248 H -0.16 0.34 0.27 -0.55 8.24 8.13 2fpbB1 VAL 248 HA -0.11 0.12 0.56 -0.75 4.13 3.95 2fpbB1 VAL 248 HB -0.19 0.07 -0.23 -0.04 2.12 1.73 2fpbB1 VAL 248 HG13 -0.60 -0.03 -0.25 -0.04 0.97 0.05 2fpbB1 VAL 248 HG23 -0.14 0.04 -0.02 -0.04 0.95 0.79 2fpbB1 LYS 249 H -0.09 0.17 0.15 -0.55 8.42 8.10 2fpbB1 LYS 249 HA -0.07 0.27 0.93 -0.75 4.32 4.70 2fpbB1 LYS 249 HB2 -0.06 -0.06 0.17 -0.04 1.87 1.88 2fpbB1 LYS 249 HB3 -0.05 0.08 0.02 -0.04 1.79 1.80 2fpbB1 LYS 249 HG2 -0.05 -0.03 -0.08 -0.04 1.46 1.26 2fpbB1 LYS 249 HG3 -0.04 -0.03 0.03 -0.04 1.46 1.37 2fpbB1 LYS 249 HD2 -0.02 -0.03 -0.02 -0.04 1.69 1.58 2fpbB1 LYS 249 HD3 -0.03 -0.04 -0.00 -0.04 1.68 1.57 2fpbB1 LYS 249 HE2 -0.00 -0.05 -0.02 -0.04 2.99 2.88 2fpbB1 LYS 249 HE3 -0.01 0.17 0.05 -0.04 2.99 3.16 2fpbB1 ILE 250 H -0.06 0.66 0.12 -0.55 8.25 8.42 2fpbB1 ILE 250 HA -0.06 0.11 0.62 -0.75 4.18 4.09 2fpbB1 ILE 250 HB -0.07 -0.04 -0.22 -0.04 1.89 1.52 2fpbB1 ILE 250 HG12 -0.18 -0.08 -1.05 -0.04 1.49 0.14 2fpbB1 ILE 250 HG13 -0.28 -0.03 -0.35 -0.04 1.21 0.51 2fpbB1 ILE 250 HG23 0.00 0.03 -0.30 -0.04 0.93 0.62 2fpbB1 ILE 250 HD13 -0.14 -0.00 -0.22 -0.04 0.88 0.48 2fpbB1 PRO 251 HA -0.24 0.06 0.50 -0.51 4.44 4.25 2fpbB1 PRO 251 HB2 -0.11 -0.05 -0.08 -0.04 2.28 2.00 2fpbB1 PRO 251 HB3 -0.27 0.05 0.03 -0.04 2.02 1.79 2fpbB1 PRO 251 HG2 -0.04 0.02 0.04 -0.04 2.03 2.01 2fpbB1 PRO 251 HG3 -0.09 0.05 0.03 -0.04 2.03 1.97 2fpbB1 PRO 251 HD2 -0.02 0.09 0.09 -0.04 3.68 3.80 2fpbB1 PRO 251 HD3 -0.07 0.15 0.12 -0.04 3.65 3.81 2fpbB1 ASN 252 H 0.69 0.15 0.21 -0.55 8.53 9.03 2fpbB1 ASN 252 HA -0.68 0.26 0.46 -0.75 4.76 4.05 2fpbB1 ASN 252 HB2 -0.07 -0.07 -0.52 -0.04 2.88 2.18 2fpbB1 ASN 252 HB3 -0.34 0.01 0.09 -0.04 2.79 2.51 2fpbB1 ASN 252 HD21 -0.18 -0.02 0.03 -0.04 7.03 6.82 2fpbB1 ASN 252 HD22 -1.27 0.07 0.03 -0.04 7.74 6.53 2fpbB1 PRO 253 HA 0.07 0.44 0.72 -0.51 4.44 5.16 2fpbB1 PRO 253 HB2 0.04 -0.00 -0.20 -0.04 2.28 2.08 2fpbB1 PRO 253 HB3 0.01 0.00 -0.17 -0.04 2.02 1.82 2fpbB1 PRO 253 HG2 -0.03 -0.01 -0.17 -0.04 2.03 1.78 2fpbB1 PRO 253 HG3 -0.03 0.08 -0.24 -0.04 2.03 1.80 2fpbB1 PRO 253 HD2 -0.17 0.08 0.22 -0.04 3.68 3.77 2fpbB1 PRO 253 HD3 -0.06 0.06 0.11 -0.04 3.65 3.71 2fpbB1 GLY 254 H 0.07 0.35 0.14 -0.55 8.43 8.44 2fpbB1 GLY 254 HA2 0.10 0.09 0.74 -0.51 4.01 4.42 2fpbB1 GLY 254 HA3 0.05 0.05 0.46 -0.51 4.01 4.06 2fpbB1 ASN 255 H 0.04 0.37 0.33 -0.55 8.53 8.72 2fpbB1 ASN 255 HA 0.10 -0.02 0.58 -0.75 4.76 4.67 2fpbB1 ASN 255 HB2 0.03 0.03 0.28 -0.04 2.88 3.18 2fpbB1 ASN 255 HB3 0.08 -0.03 0.07 -0.04 2.79 2.86 2fpbB1 ASN 255 HD21 0.07 0.02 0.12 -0.04 7.03 7.20 2fpbB1 ASN 255 HD22 0.13 0.14 0.29 -0.04 7.74 8.26 2fpbB1 ILE 256 H 0.12 0.07 0.27 -0.55 8.25 8.15 2fpbB1 ILE 256 HA 0.21 0.40 1.11 -0.75 4.18 5.14 2fpbB1 ILE 256 HB 0.16 -0.09 -0.19 -0.04 1.89 1.72 2fpbB1 ILE 256 HG12 0.27 0.06 -0.21 -0.04 1.49 1.56 2fpbB1 ILE 256 HG13 0.14 0.09 -0.33 -0.04 1.21 1.07 2fpbB1 ILE 256 HG23 0.26 -0.02 -0.31 -0.04 0.93 0.83 2fpbB1 ILE 256 HD13 0.13 -0.02 -0.42 -0.04 0.88 0.53 2fpbB1 LYS 257 H 0.22 0.67 0.31 -0.55 8.42 9.06 2fpbB1 LYS 257 HA 0.13 0.12 1.05 -0.75 4.32 4.87 2fpbB1 LYS 257 HB2 0.17 0.05 0.21 -0.04 1.87 2.26 2fpbB1 LYS 257 HB3 0.13 0.05 0.13 -0.04 1.79 2.06 2fpbB1 LYS 257 HG2 0.12 -0.04 -0.54 -0.04 1.46 0.96 2fpbB1 LYS 257 HG3 0.13 -0.05 -0.09 -0.04 1.46 1.41 2fpbB1 LYS 257 HD2 0.11 0.02 0.13 -0.04 1.69 1.91 2fpbB1 LYS 257 HD3 0.11 -0.03 0.20 -0.04 1.68 1.92 2fpbB1 LYS 257 HE2 0.09 -0.00 0.27 -0.04 2.99 3.30 2fpbB1 LYS 257 HE3 0.09 0.01 0.14 -0.04 2.99 3.19 2fpbB1 ARG 258 H 0.06 0.12 0.18 -0.55 8.46 8.26 2fpbB1 ARG 258 HA -0.36 0.18 0.66 -0.75 4.34 4.07 2fpbB1 ARG 258 HB2 -0.07 -0.01 0.21 -0.04 1.90 1.99 2fpbB1 ARG 258 HB3 -0.11 -0.02 0.06 -0.04 1.80 1.68 2fpbB1 ARG 258 HG2 -0.58 0.07 0.09 -0.04 1.67 1.20 2fpbB1 ARG 258 HG3 -0.86 -0.01 0.01 -0.04 1.67 0.77 2fpbB1 ARG 258 HD2 -0.30 -0.10 0.12 -0.04 3.22 2.90 2fpbB1 ARG 258 HD3 -0.21 -0.05 0.10 -0.04 3.22 3.02 2fpbB1 ASN 259 H -0.22 0.49 0.29 -0.55 8.53 8.55 2fpbB1 ASN 259 HA 0.04 0.37 0.95 -0.75 4.76 5.36 2fpbB1 ASN 259 HB2 0.12 -0.06 0.20 -0.04 2.88 3.10 2fpbB1 ASN 259 HB3 0.23 0.11 0.06 -0.04 2.79 3.14 2fpbB1 ASN 259 HD21 0.08 0.01 -0.06 -0.04 7.03 7.02 2fpbB1 ASN 259 HD22 0.24 0.08 -0.05 -0.04 7.74 7.97 2fpbB1 ALA 260 H 0.01 0.18 0.16 -0.55 8.40 8.21 2fpbB1 ALA 260 HA -0.05 0.14 0.36 -0.75 4.34 4.04 2fpbB1 ALA 260 HB3 -0.02 0.02 0.12 -0.04 1.41 1.49 2fpbB1 ASP 261 H -0.07 -0.02 -0.36 -0.55 8.40 7.41 2fpbB1 ASP 261 HA -0.13 0.17 0.46 -0.75 4.63 4.37 2fpbB1 ASP 261 HB2 -0.08 -0.08 0.05 -0.04 2.71 2.56 2fpbB1 ASP 261 HB3 -0.40 0.03 0.00 -0.04 2.70 2.29 2fpbB1 GLY 262 H -0.24 0.41 -0.23 -0.55 8.43 7.83 2fpbB1 GLY 262 HA2 -0.30 0.03 0.37 -0.51 4.01 3.60 2fpbB1 GLY 262 HA3 -0.26 0.14 0.82 -0.51 4.01 4.19 2fpbB1 HIS 263 H -0.33 -0.11 -0.12 -0.55 8.41 7.31 2fpbB1 HIS 263 HA -0.28 0.16 0.68 -0.75 4.63 4.44 2fpbB1 HIS 263 HB2 -0.23 -0.10 -0.01 -0.04 3.26 2.88 2fpbB1 HIS 263 HB3 -0.29 0.09 0.07 -0.04 3.20 3.02 2fpbB1 HIS 263 HD2 -0.04 -0.08 -0.06 -0.04 6.97 6.75 2fpbB1 HIS 263 HE1 -0.02 0.03 -0.06 -0.04 7.75 7.66 2fpbB1 PHE 264 H -0.30 0.55 0.30 -0.55 8.34 8.33 2fpbB1 PHE 264 HA -0.20 0.16 0.78 -0.75 4.62 4.61 2fpbB1 PHE 264 HB2 -1.74 -0.01 -0.06 -0.04 3.15 1.30 2fpbB1 PHE 264 HB3 -0.49 0.05 -0.19 -0.04 3.06 2.40 2fpbB1 PHE 264 HD2 -0.18 0.04 -0.19 -0.04 7.28 6.90 2fpbB1 PHE 264 HE2 -0.01 -0.02 -0.19 -0.04 7.38 7.12 2fpbB1 PHE 264 HZ -0.06 -0.18 -0.02 -0.04 7.32 7.01 2fpbB1 TRP 265 H 0.18 0.50 0.24 -0.55 7.97 8.34 2fpbB1 TRP 265 HA 0.03 0.21 0.92 -0.75 4.62 5.03 2fpbB1 TRP 265 HB2 0.01 0.11 0.26 -0.04 3.23 3.57 2fpbB1 TRP 265 HB3 0.04 0.17 0.00 -0.04 3.23 3.41 2fpbB1 TRP 265 HD1 -0.05 -0.01 -0.04 -0.04 7.22 7.08 2fpbB1 TRP 265 HE1 -0.16 -0.05 -0.11 -0.04 10.20 9.83 2fpbB1 TRP 265 HE3 0.06 0.10 -0.28 -0.04 7.59 7.43 2fpbB1 TRP 265 HZ2 -0.47 -0.01 -0.15 -0.04 7.44 6.77 2fpbB1 TRP 265 HZ3 0.03 0.13 -0.60 -0.04 7.13 6.65 2fpbB1 TRP 265 HH2 -0.06 0.01 -0.22 -0.04 7.19 6.88 2fpbB1 VAL 266 H 0.49 0.51 0.34 -0.55 8.24 9.02 2fpbB1 VAL 266 HA 0.24 0.43 0.98 -0.75 4.13 5.02 2fpbB1 VAL 266 HB 0.47 -0.08 -0.22 -0.04 2.12 2.25 2fpbB1 VAL 266 HG13 0.36 0.02 -0.13 -0.04 0.97 1.18 2fpbB1 VAL 266 HG23 0.14 0.13 -0.16 -0.04 0.95 1.02 2fpbB1 SER 267 H 0.03 0.36 0.17 -0.55 8.46 8.47 2fpbB1 SER 267 HA 0.08 0.11 0.84 -0.75 4.49 4.76 2fpbB1 SER 267 HB2 -1.15 0.08 -0.15 -0.04 3.95 2.69 2fpbB1 SER 267 HB3 -1.01 -0.12 -0.28 -0.04 3.93 2.48 2fpbB1 SER 268 H 0.29 0.61 0.32 -0.55 8.46 9.14 2fpbB1 SER 268 HA 0.08 0.33 0.72 -0.75 4.49 4.87 2fpbB1 SER 268 HB2 0.12 -0.07 -0.14 -0.04 3.95 3.82 2fpbB1 SER 268 HB3 0.16 -0.09 0.20 -0.04 3.93 4.16 2fpbB1 SER 269 H 0.11 0.83 0.15 -0.55 8.46 9.00 2fpbB1 SER 269 HA 0.17 0.10 0.76 -0.75 4.49 4.76 2fpbB1 SER 269 HB2 0.30 0.14 0.17 -0.04 3.95 4.52 2fpbB1 SER 269 HB3 0.05 -0.05 0.08 -0.04 3.93 3.97 2fpbB1 GLU 270 H 0.04 0.40 -0.29 -0.55 8.60 8.21 2fpbB1 GLU 270 HA -0.04 -0.01 0.11 -0.75 4.29 3.59 2fpbB1 GLU 270 HB2 -0.02 0.07 0.03 -0.04 2.09 2.14 2fpbB1 GLU 270 HB3 -0.02 -0.04 0.10 -0.04 1.99 1.99 2fpbB1 GLU 270 HG2 -0.06 0.01 -0.35 -0.04 2.34 1.90 2fpbB1 GLU 270 HG3 -0.12 -0.03 -0.07 -0.04 2.34 2.08 2fpbB1 GLU 271 H -0.03 0.17 0.18 -0.55 8.60 8.38 2fpbB1 GLU 271 HA -0.03 0.26 0.70 -0.75 4.29 4.46 2fpbB1 GLU 271 HB2 0.03 0.04 0.20 -0.04 2.09 2.32 2fpbB1 GLU 271 HB3 0.03 -0.24 0.18 -0.04 1.99 1.92 2fpbB1 GLU 271 HG2 0.09 0.27 0.05 -0.04 2.34 2.71 2fpbB1 GLU 271 HG3 0.08 0.09 -0.01 -0.04 2.34 2.46 2fpbB1 LEU 272 H -0.02 0.53 0.10 -0.55 8.37 8.44 2fpbB1 LEU 272 HA -0.02 0.05 0.21 -0.75 4.35 3.84 2fpbB1 LEU 272 HB2 -0.00 0.02 -0.00 -0.04 1.64 1.61 2fpbB1 LEU 272 HB3 -0.00 -0.02 -0.02 -0.04 1.64 1.55 2fpbB1 LEU 272 HG -0.01 0.09 -0.12 -0.04 1.64 1.56 2fpbB1 LEU 272 HD13 -0.00 -0.01 -0.11 -0.04 0.93 0.77 2fpbB1 LEU 272 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.77 2fpbB1 ASP 273 H 0.01 0.18 -0.27 -0.55 8.40 7.77 2fpbB1 ASP 273 HA 0.01 0.20 0.79 -0.75 4.63 4.88 2fpbB1 ASP 273 HB2 0.03 -0.00 0.05 -0.04 2.71 2.75 2fpbB1 ASP 273 HB3 0.03 0.04 0.13 -0.04 2.70 2.86 2fpbB1 GLY 274 H 0.01 0.42 -0.37 -0.55 8.43 7.95 2fpbB1 GLY 274 HA2 0.03 0.07 0.29 -0.51 4.01 3.88 2fpbB1 GLY 274 HA3 0.02 0.02 0.33 -0.51 4.01 3.88 2fpbB1 ASN 275 H 0.04 0.14 -0.20 -0.55 8.53 7.97 2fpbB1 ASN 275 HA 0.03 0.11 0.21 -0.75 4.76 4.35 2fpbB1 ASN 275 HB2 0.02 0.01 0.11 -0.04 2.88 2.98 2fpbB1 ASN 275 HB3 0.04 0.26 -0.05 -0.04 2.79 3.00 2fpbB1 ASN 275 HD21 0.06 -0.09 -0.20 -0.04 7.03 6.76 2fpbB1 ASN 275 HD22 0.04 0.34 -0.39 -0.04 7.74 7.70 2fpbB1 HIS 277 HA 0.07 -0.03 0.31 -0.75 4.63 4.22 2fpbB1 HIS 277 HB2 0.04 -0.02 -0.04 -0.04 3.26 3.20 2fpbB1 HIS 277 HB3 0.04 -0.02 0.07 -0.04 3.20 3.24 2fpbB1 HIS 277 HD2 0.03 0.01 0.03 -0.04 6.97 7.00 2fpbB1 HIS 277 HE1 0.02 -0.02 0.02 -0.04 7.75 7.73 2fpbB1 GLY 278 H 0.09 0.31 -0.23 -0.55 8.43 8.04 2fpbB1 GLY 278 HA2 0.06 0.07 0.62 -0.51 4.01 4.25 2fpbB1 GLY 278 HA3 0.05 -0.09 0.34 -0.51 4.01 3.80 2fpbB1 ARG 279 H 0.02 0.01 0.13 -0.55 8.46 8.07 2fpbB1 ARG 279 HA 0.01 0.14 0.40 -0.75 4.34 4.14 2fpbB1 ARG 279 HB2 0.01 -0.08 0.11 -0.04 1.90 1.90 2fpbB1 ARG 279 HB3 0.00 0.04 -0.03 -0.04 1.80 1.77 2fpbB1 ARG 279 HG2 0.01 0.05 0.05 -0.04 1.67 1.74 2fpbB1 ARG 279 HG3 0.01 0.02 0.05 -0.04 1.67 1.71 2fpbB1 ARG 279 HD2 0.01 0.01 0.00 -0.04 3.22 3.19 2fpbB1 ARG 279 HD3 0.01 0.00 0.02 -0.04 3.22 3.21 2fpbB1 VAL 280 H -0.01 0.26 0.15 -0.55 8.24 8.08 2fpbB1 VAL 280 HA -0.06 0.28 0.90 -0.75 4.13 4.50 2fpbB1 VAL 280 HB -0.07 0.04 -0.48 -0.04 2.12 1.57 2fpbB1 VAL 280 HG13 -0.17 -0.01 -0.58 -0.04 0.97 0.17 2fpbB1 VAL 280 HG23 -0.26 0.03 -0.27 -0.04 0.95 0.42 2fpbB1 ASP 281 H -0.02 0.69 0.05 -0.55 8.40 8.57 2fpbB1 ASP 281 HA 0.01 0.16 1.01 -0.75 4.63 5.06 2fpbB1 ASP 281 HB2 -0.00 -0.05 -0.07 -0.04 2.71 2.55 2fpbB1 ASP 281 HB3 0.01 -0.04 0.18 -0.04 2.70 2.81 2fpbB1 PRO 282 HA 0.22 0.27 0.51 -0.51 4.44 4.93 2fpbB1 PRO 282 HB2 -0.13 -0.04 -0.05 -0.04 2.28 2.02 2fpbB1 PRO 282 HB3 0.20 0.23 0.06 -0.04 2.02 2.47 2fpbB1 PRO 282 HG2 -0.00 -0.05 0.05 -0.04 2.03 1.98 2fpbB1 PRO 282 HG3 0.07 0.21 0.06 -0.04 2.03 2.33 2fpbB1 PRO 282 HD2 0.02 0.04 0.25 -0.04 3.68 3.95 2fpbB1 PRO 282 HD3 0.03 0.24 0.03 -0.04 3.65 3.91 2fpbB1 LYS 283 H 0.30 0.79 0.51 -0.55 8.42 9.46 2fpbB1 LYS 283 HA 0.09 0.19 0.93 -0.75 4.32 4.78 2fpbB1 LYS 283 HB2 0.13 -0.00 0.06 -0.04 1.87 2.02 2fpbB1 LYS 283 HB3 0.14 -0.03 -0.13 -0.04 1.79 1.73 2fpbB1 LYS 283 HG2 0.07 -0.04 -0.14 -0.04 1.46 1.30 2fpbB1 LYS 283 HG3 0.07 0.07 -0.45 -0.04 1.46 1.10 2fpbB1 LYS 283 HD2 0.06 -0.01 -0.07 -0.04 1.69 1.63 2fpbB1 LYS 283 HD3 0.05 -0.05 -0.10 -0.04 1.68 1.55 2fpbB1 LYS 283 HE2 0.02 -0.05 -0.05 -0.04 2.99 2.87 2fpbB1 LYS 283 HE3 0.03 -0.01 -0.11 -0.04 2.99 2.86 2fpbB1 GLY 284 H 0.16 0.75 0.30 -0.55 8.43 9.09 2fpbB1 GLY 284 HA2 0.44 0.23 0.94 -0.51 4.01 5.11 2fpbB1 GLY 284 HA3 0.26 -0.03 0.34 -0.51 4.01 4.07 2fpbB1 ILE 285 H 0.43 0.74 0.28 -0.55 8.25 9.15 2fpbB1 ILE 285 HA 0.22 0.29 1.21 -0.75 4.18 5.15 2fpbB1 ILE 285 HB 0.20 0.01 -0.01 -0.04 1.89 2.05 2fpbB1 ILE 285 HG12 0.13 0.02 -0.11 -0.04 1.49 1.49 2fpbB1 ILE 285 HG13 0.19 -0.07 -0.59 -0.04 1.21 0.71 2fpbB1 ILE 285 HG23 0.11 0.00 -0.14 -0.04 0.93 0.86 2fpbB1 ILE 285 HD13 0.07 0.01 -0.11 -0.04 0.88 0.80 2fpbB1 LYS 286 H -0.21 0.50 0.30 -0.55 8.42 8.46 2fpbB1 LYS 286 HA -0.70 0.39 1.09 -0.75 4.32 4.35 2fpbB1 LYS 286 HB2 -3.07 0.00 -0.06 -0.04 1.87 -1.30 2fpbB1 LYS 286 HB3 -0.84 -0.05 0.10 -0.04 1.79 0.96 2fpbB1 LYS 286 HG2 -0.52 -0.09 -0.20 -0.04 1.46 0.61 2fpbB1 LYS 286 HG3 -0.75 0.06 -0.05 -0.04 1.46 0.68 2fpbB1 LYS 286 HD2 -0.68 -0.06 -0.14 -0.04 1.69 0.78 2fpbB1 LYS 286 HD3 -0.91 0.03 -0.12 -0.04 1.68 0.63 2fpbB1 LYS 286 HE2 -0.21 0.03 -0.15 -0.04 2.99 2.62 2fpbB1 LYS 286 HE3 -0.17 -0.05 -0.11 -0.04 2.99 2.62 2fpbB1 PHE 287 H -0.52 0.71 0.37 -0.55 8.34 8.35 2fpbB1 PHE 287 HA -0.15 0.14 0.85 -0.75 4.62 4.70 2fpbB1 PHE 287 HB2 -0.05 -0.05 -0.10 -0.04 3.15 2.91 2fpbB1 PHE 287 HB3 -0.06 0.02 -0.26 -0.04 3.06 2.71 2fpbB1 PHE 287 HD2 -0.05 0.08 -0.31 -0.04 7.28 6.95 2fpbB1 PHE 287 HE2 -0.13 0.02 -0.28 -0.04 7.38 6.95 2fpbB1 PHE 287 HZ -0.04 -0.01 -0.26 -0.04 7.32 6.97 2fpbB1 ASP 288 H 0.16 0.37 0.23 -0.55 8.40 8.62 2fpbB1 ASP 288 HA 0.19 0.22 0.94 -0.75 4.63 5.23 2fpbB1 ASP 288 HB2 0.15 -0.02 0.14 -0.04 2.71 2.94 2fpbB1 ASP 288 HB3 -0.09 0.09 -0.01 -0.04 2.70 2.65 2fpbB1 GLU 289 H 0.07 0.19 0.14 -0.55 8.60 8.46 2fpbB1 GLU 289 HA -0.10 0.13 0.35 -0.75 4.29 3.92 2fpbB1 GLU 289 HB2 -0.09 0.02 0.11 -0.04 2.09 2.08 2fpbB1 GLU 289 HB3 0.18 0.04 0.15 -0.04 1.99 2.32 2fpbB1 GLU 289 HG2 -0.55 -0.05 0.06 -0.04 2.34 1.76 2fpbB1 GLU 289 HG3 -1.94 0.07 -0.19 -0.04 2.34 0.23 2fpbB1 PHE 290 H -0.06 -0.06 -0.51 -0.55 8.34 7.15 2fpbB1 PHE 290 HA -0.04 0.30 0.87 -0.75 4.62 5.00 2fpbB1 PHE 290 HB2 0.03 -0.04 -0.02 -0.04 3.15 3.07 2fpbB1 PHE 290 HB3 0.02 0.08 0.11 -0.04 3.06 3.23 2fpbB1 PHE 290 HD2 0.05 0.04 -0.07 -0.04 7.28 7.27 2fpbB1 PHE 290 HE2 0.08 0.01 -0.05 -0.04 7.38 7.39 2fpbB1 PHE 290 HZ 0.08 0.01 -0.04 -0.04 7.32 7.33 2fpbB1 GLY 291 H 0.08 0.42 -0.24 -0.55 8.43 8.15 2fpbB1 GLY 291 HA2 -0.00 -0.01 0.14 -0.51 4.01 3.63 2fpbB1 GLY 291 HA3 -0.01 0.35 0.47 -0.51 4.01 4.30 2fpbB1 ASN 292 H 0.13 -0.07 -0.09 -0.55 8.53 7.94 2fpbB1 ASN 292 HA 0.03 0.20 0.84 -0.75 4.76 5.09 2fpbB1 ASN 292 HB2 0.09 -0.15 0.03 -0.04 2.88 2.81 2fpbB1 ASN 292 HB3 0.04 0.11 -0.03 -0.04 2.79 2.87 2fpbB1 ASN 292 HD21 0.04 0.02 -0.09 -0.04 7.03 6.96 2fpbB1 ASN 292 HD22 0.03 0.06 -0.03 -0.04 7.74 7.76 2fpbB1 ILE 293 H 0.01 0.19 0.12 -0.55 8.25 8.03 2fpbB1 ILE 293 HA 0.06 0.15 0.75 -0.75 4.18 4.39 2fpbB1 ILE 293 HB 0.00 -0.01 0.12 -0.04 1.89 1.96 2fpbB1 ILE 293 HG12 0.01 0.03 -0.11 -0.04 1.49 1.37 2fpbB1 ILE 293 HG13 -0.02 -0.02 -0.10 -0.04 1.21 1.03 2fpbB1 ILE 293 HG23 0.02 0.01 -0.10 -0.04 0.93 0.81 2fpbB1 ILE 293 HD13 -0.03 0.02 -0.02 -0.04 0.88 0.81 2fpbB1 LEU 294 H -0.08 0.73 0.38 -0.55 8.37 8.85 2fpbB1 LEU 294 HA -0.05 0.23 1.01 -0.75 4.35 4.78 2fpbB1 LEU 294 HB2 -0.25 -0.02 -0.09 -0.04 1.64 1.24 2fpbB1 LEU 294 HB3 -0.14 -0.02 0.03 -0.04 1.64 1.47 2fpbB1 LEU 294 HG -0.15 0.07 -0.29 -0.04 1.64 1.22 2fpbB1 LEU 294 HD13 -0.69 -0.03 -0.21 -0.04 0.93 -0.03 2fpbB1 LEU 294 HD23 -0.10 0.01 -0.11 -0.04 0.89 0.64 2fpbB1 GLU 295 H -0.08 0.31 0.24 -0.55 8.60 8.53 2fpbB1 GLU 295 HA 0.04 0.12 0.64 -0.75 4.29 4.33 2fpbB1 GLU 295 HB2 -0.06 -0.01 -0.47 -0.04 2.09 1.51 2fpbB1 GLU 295 HB3 -0.10 -0.07 -0.09 -0.04 1.99 1.68 2fpbB1 GLU 295 HG2 0.27 0.03 -0.12 -0.04 2.34 2.48 2fpbB1 GLU 295 HG3 0.13 0.05 0.12 -0.04 2.34 2.60 2fpbB1 VAL 296 H 0.10 0.27 0.15 -0.55 8.24 8.21 2fpbB1 VAL 296 HA 0.17 0.33 0.85 -0.75 4.13 4.73 2fpbB1 VAL 296 HB 0.07 -0.04 0.09 -0.04 2.12 2.20 2fpbB1 VAL 296 HG13 0.09 0.00 -0.18 -0.04 0.97 0.84 2fpbB1 VAL 296 HG23 0.06 -0.02 -0.18 -0.04 0.95 0.77 2fpbB1 ILE 297 H 0.24 0.62 0.22 -0.55 8.25 8.78 2fpbB1 ILE 297 HA 0.10 0.25 0.95 -0.75 4.18 4.72 2fpbB1 ILE 297 HB 0.09 -0.08 0.10 -0.04 1.89 1.95 2fpbB1 ILE 297 HG12 0.16 0.07 -0.02 -0.04 1.49 1.66 2fpbB1 ILE 297 HG13 0.28 -0.12 -0.53 -0.04 1.21 0.81 2fpbB1 ILE 297 HG23 -0.00 0.01 -0.17 -0.04 0.93 0.73 2fpbB1 ILE 297 HD13 0.17 -0.01 -0.12 -0.04 0.88 0.87 2fpbB1 PRO 298 HA 0.03 0.21 0.78 -0.51 4.44 4.94 2fpbB1 PRO 298 HB2 0.01 0.08 -0.05 -0.04 2.28 2.28 2fpbB1 PRO 298 HB3 0.03 0.01 0.09 -0.04 2.02 2.10 2fpbB1 PRO 298 HG2 0.03 0.01 0.10 -0.04 2.03 2.12 2fpbB1 PRO 298 HG3 0.03 0.01 0.05 -0.04 2.03 2.09 2fpbB1 PRO 298 HD2 0.06 0.12 0.23 -0.04 3.68 4.05 2fpbB1 PRO 298 HD3 0.06 0.11 -0.05 -0.04 3.65 3.73 2fpbB1 LEU 299 H -0.05 0.44 0.18 -0.55 8.37 8.40 2fpbB1 LEU 299 HA -0.06 0.08 0.45 -0.75 4.35 4.07 2fpbB1 LEU 299 HB2 -0.09 -0.01 -0.09 -0.04 1.64 1.42 2fpbB1 LEU 299 HB3 -0.05 0.01 -0.04 -0.04 1.64 1.52 2fpbB1 LEU 299 HG -0.35 0.04 -0.28 -0.04 1.64 1.01 2fpbB1 LEU 299 HD13 -1.39 0.01 -0.16 -0.04 0.93 -0.66 2fpbB1 LEU 299 HD23 -0.31 -0.01 -0.21 -0.04 0.89 0.31 2fpbB1 PRO 300 HA -0.00 0.13 0.64 -0.51 4.44 4.70 2fpbB1 PRO 300 HB2 -0.02 0.15 0.09 -0.04 2.28 2.46 2fpbB1 PRO 300 HB3 -0.01 -0.01 0.10 -0.04 2.02 2.07 2fpbB1 PRO 300 HG2 0.05 0.06 -0.07 -0.04 2.03 2.03 2fpbB1 PRO 300 HG3 0.01 0.00 0.03 -0.04 2.03 2.03 2fpbB1 PRO 300 HD2 0.07 0.03 0.14 -0.04 3.68 3.87 2fpbB1 PRO 300 HD3 -0.01 0.21 0.16 -0.04 3.65 3.97 2fpbB1 PRO 301 HA -0.11 0.00 0.53 -0.51 4.44 4.35 2fpbB1 PRO 301 HB2 -0.07 0.03 0.01 -0.04 2.28 2.20 2fpbB1 PRO 301 HB3 -0.06 0.07 0.09 -0.04 2.02 2.09 2fpbB1 PRO 301 HG2 -0.03 0.03 0.08 -0.04 2.03 2.07 2fpbB1 PRO 301 HG3 -0.02 0.07 0.07 -0.04 2.03 2.10 2fpbB1 PRO 301 HD2 -0.03 0.10 0.22 -0.04 3.68 3.92 2fpbB1 PRO 301 HD3 -0.02 0.16 0.19 -0.04 3.65 3.94 2fpbB1 PRO 302 HA -0.16 0.04 0.33 -0.51 4.44 4.15 2fpbB1 PRO 302 HB2 -0.17 0.06 0.11 -0.04 2.28 2.24 2fpbB1 PRO 302 HB3 -0.14 -0.00 0.07 -0.04 2.02 1.91 2fpbB1 PRO 302 HG2 -1.45 0.05 -0.11 -0.04 2.03 0.48 2fpbB1 PRO 302 HG3 -0.54 -0.01 0.01 -0.04 2.03 1.45 2fpbB1 PRO 302 HD2 -1.25 0.09 0.10 -0.04 3.68 2.57 2fpbB1 PRO 302 HD3 -0.41 0.08 0.21 -0.04 3.65 3.49 2fpbB1 PHE 303 H -0.38 0.47 0.07 -0.55 8.34 7.95 2fpbB1 PHE 303 HA 0.16 0.11 0.51 -0.75 4.62 4.65 2fpbB1 PHE 303 HB2 -0.17 0.03 -0.07 -0.04 3.15 2.90 2fpbB1 PHE 303 HB3 -0.07 -0.00 -0.03 -0.04 3.06 2.91 2fpbB1 PHE 303 HD2 -0.15 0.05 -0.11 -0.04 7.28 7.03 2fpbB1 PHE 303 HE2 -0.25 -0.00 -0.07 -0.04 7.38 7.01 2fpbB1 PHE 303 HZ -0.17 -0.02 -0.11 -0.04 7.32 6.98 2fpbB1 ALA 304 H 0.01 0.09 -0.36 -0.55 8.40 7.59 2fpbB1 ALA 304 HA 0.03 0.04 0.31 -0.75 4.34 3.97 2fpbB1 ALA 304 HB3 0.00 0.02 -0.10 -0.04 1.41 1.29 2fpbB1 GLY 305 H 0.02 0.11 0.23 -0.55 8.43 8.25 2fpbB1 GLY 305 HA2 0.01 0.25 0.50 -0.51 4.01 4.26 2fpbB1 GLY 305 HA3 0.01 -0.03 0.49 -0.51 4.01 3.97 2fpbB1 GLU 306 H 0.06 0.22 -0.05 -0.55 8.60 8.28 2fpbB1 GLU 306 HA -0.01 0.06 0.76 -0.75 4.29 4.35 2fpbB1 GLU 306 HB2 0.03 0.15 -0.42 -0.04 2.09 1.80 2fpbB1 GLU 306 HB3 0.21 0.06 -0.10 -0.04 1.99 2.12 2fpbB1 GLU 306 HG2 -1.43 -0.05 -0.06 -0.04 2.34 0.75 2fpbB1 GLU 306 HG3 -0.50 -0.12 0.04 -0.04 2.34 1.73 2fpbB1 HIS 307 H 0.26 0.10 0.09 -0.55 8.41 8.32 2fpbB1 HIS 307 HA 0.25 0.04 0.37 -0.75 4.63 4.53 2fpbB1 HIS 307 HB2 0.17 -0.06 0.04 -0.04 3.26 3.37 2fpbB1 HIS 307 HB3 0.18 0.04 -0.01 -0.04 3.20 3.37 2fpbB1 HIS 307 HD2 0.25 0.03 -0.02 -0.04 6.97 7.19 2fpbB1 HIS 307 HE1 0.04 0.10 -0.17 -0.04 7.75 7.67 2fpbB1 PHE 308 H 0.45 0.22 0.18 -0.55 8.34 8.63 2fpbB1 PHE 308 HA 0.23 0.02 0.53 -0.75 4.62 4.65 2fpbB1 PHE 308 HB2 0.03 0.09 0.16 -0.04 3.15 3.39 2fpbB1 PHE 308 HB3 0.17 0.12 -0.15 -0.04 3.06 3.16 2fpbB1 PHE 308 HD2 0.02 0.06 -0.05 -0.04 7.28 7.27 2fpbB1 PHE 308 HE2 0.01 0.04 -0.23 -0.04 7.38 7.16 2fpbB1 PHE 308 HZ 0.05 0.03 -0.20 -0.04 7.32 7.16 2fpbB1 GLU 309 H 0.14 0.44 0.36 -0.55 8.60 8.99 2fpbB1 GLU 309 HA -0.04 0.09 0.73 -0.75 4.29 4.32 2fpbB1 GLU 309 HB2 0.04 0.03 -0.07 -0.04 2.09 2.06 2fpbB1 GLU 309 HB3 0.02 0.06 0.04 -0.04 1.99 2.07 2fpbB1 GLU 309 HG2 0.12 -0.14 -0.11 -0.04 2.34 2.17 2fpbB1 GLU 309 HG3 0.09 0.09 -0.04 -0.04 2.34 2.45 2fpbB1 GLN 310 H 0.04 0.43 0.25 -0.55 8.47 8.64 2fpbB1 GLN 310 HA -0.02 0.15 0.91 -0.75 4.36 4.64 2fpbB1 GLN 310 HB2 0.04 0.13 -0.10 -0.04 2.15 2.18 2fpbB1 GLN 310 HB3 0.15 -0.11 0.07 -0.04 2.02 2.08 2fpbB1 GLN 310 HG2 0.17 -0.03 -0.39 -0.04 2.40 2.10 2fpbB1 GLN 310 HG3 0.10 0.03 -0.09 -0.04 2.39 2.39 2fpbB1 GLN 310 HE21 -0.01 -0.16 0.25 -0.04 6.97 7.01 2fpbB1 GLN 310 HE22 0.01 0.15 0.16 -0.04 7.69 7.96 2fpbB1 ILE 311 H 0.09 0.26 0.04 -0.55 8.25 8.09 2fpbB1 ILE 311 HA 0.01 0.40 0.74 -0.75 4.18 4.57 2fpbB1 ILE 311 HB 0.24 0.04 -0.04 -0.04 1.89 2.09 2fpbB1 ILE 311 HG12 -0.96 -0.08 -0.28 -0.04 1.49 0.13 2fpbB1 ILE 311 HG13 -0.53 0.05 -0.18 -0.04 1.21 0.52 2fpbB1 ILE 311 HG23 0.24 -0.04 -0.18 -0.04 0.93 0.92 2fpbB1 ILE 311 HD13 -0.68 -0.02 -0.12 -0.04 0.88 0.02 2fpbB1 GLN 312 H -0.06 0.59 0.16 -0.55 8.47 8.62 2fpbB1 GLN 312 HA 0.01 0.18 1.00 -0.75 4.36 4.80 2fpbB1 GLN 312 HB2 0.14 0.02 -0.12 -0.04 2.15 2.15 2fpbB1 GLN 312 HB3 0.13 -0.05 0.04 -0.04 2.02 2.09 2fpbB1 GLN 312 HG2 0.15 0.00 -0.34 -0.04 2.40 2.17 2fpbB1 GLN 312 HG3 0.13 0.06 0.03 -0.04 2.39 2.57 2fpbB1 GLN 312 HE21 0.14 0.36 0.11 -0.04 6.97 7.54 2fpbB1 GLN 312 HE22 0.18 -0.08 -0.00 -0.04 7.69 7.74 2fpbB1 GLU 313 H 0.03 0.18 0.11 -0.55 8.60 8.38 2fpbB1 GLU 313 HA -0.11 0.40 0.82 -0.75 4.29 4.64 2fpbB1 GLU 313 HB2 -0.08 0.01 -0.01 -0.04 2.09 1.96 2fpbB1 GLU 313 HB3 0.25 -0.07 0.13 -0.04 1.99 2.26 2fpbB1 GLU 313 HG2 0.12 -0.11 -0.22 -0.04 2.34 2.09 2fpbB1 GLU 313 HG3 0.07 0.09 -0.15 -0.04 2.34 2.31 2fpbB1 HIS 314 H 0.09 0.76 0.26 -0.55 8.41 8.97 2fpbB1 HIS 314 HA -0.14 -0.02 0.57 -0.75 4.63 4.29 2fpbB1 HIS 314 HB2 -0.43 0.10 -0.19 -0.04 3.26 2.69 2fpbB1 HIS 314 HB3 -0.23 0.03 -0.00 -0.04 3.20 2.95 2fpbB1 HIS 314 HD2 -0.62 0.02 -0.14 -0.04 6.97 6.19 2fpbB1 HIS 314 HE1 -0.26 0.01 -0.02 -0.04 7.75 7.44 2fpbB1 ASP 315 H -0.32 0.12 0.11 -0.55 8.40 7.76 2fpbB1 ASP 315 HA -0.17 0.00 0.38 -0.75 4.63 4.09 2fpbB1 ASP 315 HB2 -0.26 0.14 0.02 -0.04 2.71 2.57 2fpbB1 ASP 315 HB3 -0.15 0.02 0.21 -0.04 2.70 2.75 2fpbB1 GLY 316 H 0.02 0.00 -0.12 -0.55 8.43 7.78 2fpbB1 GLY 316 HA2 0.14 -0.01 0.27 -0.51 4.01 3.91 2fpbB1 GLY 316 HA3 0.02 0.10 0.33 -0.51 4.01 3.94 2fpbB1 LEU 317 H -0.01 0.43 -0.59 -0.55 8.37 7.65 2fpbB1 LEU 317 HA -0.08 0.25 1.09 -0.75 4.35 4.87 2fpbB1 LEU 317 HB2 -0.15 0.05 0.02 -0.04 1.64 1.51 2fpbB1 LEU 317 HB3 -0.38 -0.02 -0.04 -0.04 1.64 1.16 2fpbB1 LEU 317 HG -0.06 0.14 -0.12 -0.04 1.64 1.56 2fpbB1 LEU 317 HD13 -0.09 -0.02 -0.08 -0.04 0.93 0.69 2fpbB1 LEU 317 HD23 -0.08 0.01 -0.09 -0.04 0.89 0.69 2fpbB1 LEU 318 H -0.26 0.72 0.23 -0.55 8.37 8.52 2fpbB1 LEU 318 HA -0.29 0.29 0.89 -0.75 4.35 4.50 2fpbB1 LEU 318 HB2 -0.35 -0.06 0.11 -0.04 1.64 1.30 2fpbB1 LEU 318 HB3 -0.53 0.01 -0.13 -0.04 1.64 0.96 2fpbB1 LEU 318 HG -0.44 -0.05 -0.45 -0.04 1.64 0.65 2fpbB1 LEU 318 HD13 -0.63 0.00 -0.18 -0.04 0.93 0.08 2fpbB1 LEU 318 HD23 -1.19 -0.00 -0.26 -0.04 0.89 -0.60 2fpbB1 TYR 319 H 0.01 0.63 0.22 -0.55 8.29 8.61 2fpbB1 TYR 319 HA -0.46 0.28 0.85 -0.75 4.56 4.48 2fpbB1 TYR 319 HB2 -0.41 -0.04 0.13 -0.04 3.06 2.70 2fpbB1 TYR 319 HB3 -1.51 0.01 -0.08 -0.04 2.98 1.37 2fpbB1 TYR 319 HD2 -0.70 0.12 -0.07 -0.04 7.15 6.46 2fpbB1 TYR 319 HE2 -0.32 0.02 -0.12 -0.04 6.85 6.40 2fpbB1 ILE 320 H -0.29 0.82 0.34 -0.55 8.25 8.57 2fpbB1 ILE 320 HA -0.04 0.34 1.04 -0.75 4.18 4.76 2fpbB1 ILE 320 HB -0.67 -0.13 0.19 -0.04 1.89 1.24 2fpbB1 ILE 320 HG12 -0.33 0.07 -0.30 -0.04 1.49 0.89 2fpbB1 ILE 320 HG13 -0.48 -0.02 -0.14 -0.04 1.21 0.54 2fpbB1 ILE 320 HG23 -0.81 0.01 -0.12 -0.04 0.93 -0.04 2fpbB1 ILE 320 HD13 -0.28 0.02 -0.35 -0.04 0.88 0.23 2fpbB1 GLY 321 H 0.22 0.55 0.30 -0.55 8.43 8.95 2fpbB1 GLY 321 HA2 0.16 0.31 0.88 -0.51 4.01 4.86 2fpbB1 GLY 321 HA3 0.12 0.06 0.22 -0.51 4.01 3.91 2fpbB1 THR 322 H -0.02 0.84 0.50 -0.55 8.28 9.05 2fpbB1 THR 322 HA 0.16 -0.04 0.96 -0.75 4.39 4.71 2fpbB1 THR 322 HB 0.01 0.10 -0.22 -0.04 4.32 4.18 2fpbB1 THR 322 HG23 -0.11 0.04 0.07 -0.04 1.22 1.17 2fpbB1 LEU 323 H 0.24 0.21 0.14 -0.55 8.37 8.41 2fpbB1 LEU 323 HA 0.03 0.29 0.90 -0.75 4.35 4.82 2fpbB1 LEU 323 HB2 0.22 -0.02 0.05 -0.04 1.64 1.86 2fpbB1 LEU 323 HB3 0.21 0.02 0.16 -0.04 1.64 2.00 2fpbB1 LEU 323 HG 0.17 -0.03 -0.14 -0.04 1.64 1.60 2fpbB1 LEU 323 HD13 0.31 0.00 -0.01 -0.04 0.93 1.19 2fpbB1 LEU 323 HD23 0.19 0.04 0.03 -0.04 0.89 1.11 2fpbB1 PHE 324 H -0.13 -0.07 -0.05 -0.55 8.34 7.54 2fpbB1 PHE 324 HA 0.07 0.22 0.82 -0.75 4.62 4.98 2fpbB1 PHE 324 HB2 0.20 0.02 0.11 -0.04 3.15 3.44 2fpbB1 PHE 324 HB3 0.15 -0.03 -0.23 -0.04 3.06 2.92 2fpbB1 PHE 324 HD2 0.20 -0.06 -0.04 -0.04 7.28 7.34 2fpbB1 PHE 324 HE2 0.26 0.09 -0.05 -0.04 7.38 7.63 2fpbB1 PHE 324 HZ 0.15 0.18 -0.04 -0.04 7.32 7.57 2fpbB1 HIS 325 H -0.58 0.01 0.05 -0.55 8.41 7.34 2fpbB1 HIS 325 HA -0.31 0.29 1.12 -0.75 4.63 4.98 2fpbB1 HIS 325 HB2 -1.06 0.03 -0.00 -0.04 3.26 2.19 2fpbB1 HIS 325 HB3 -0.27 0.12 0.10 -0.04 3.20 3.10 2fpbB1 HIS 325 HD2 0.05 0.10 0.01 -0.04 6.97 7.09 2fpbB1 HIS 325 HE1 -0.06 0.00 -0.06 -0.04 7.75 7.59 2fpbB1 GLY 326 H -0.77 0.17 0.15 -0.55 8.43 7.44 2fpbB1 GLY 326 HA2 -0.16 0.05 0.82 -0.51 4.01 4.21 2fpbB1 GLY 326 HA3 -0.07 0.07 0.39 -0.51 4.01 3.89 2fpbB1 SER 327 H 0.23 0.11 -0.21 -0.55 8.46 8.04 2fpbB1 SER 327 HA 0.08 0.17 1.03 -0.75 4.49 5.02 2fpbB1 SER 327 HB2 0.39 -0.05 -0.10 -0.04 3.95 4.14 2fpbB1 SER 327 HB3 0.16 0.06 -0.26 -0.04 3.93 3.84 2fpbB1 VAL 328 H 0.15 0.61 0.29 -0.55 8.24 8.75 2fpbB1 VAL 328 HA 0.18 0.19 0.74 -0.75 4.13 4.48 2fpbB1 VAL 328 HB 0.12 -0.08 0.10 -0.04 2.12 2.22 2fpbB1 VAL 328 HG13 -0.22 0.00 -0.19 -0.04 0.97 0.52 2fpbB1 VAL 328 HG23 0.42 0.01 -0.04 -0.04 0.95 1.30 2fpbB1 GLY 329 H -0.03 0.42 0.31 -0.55 8.43 8.59 2fpbB1 GLY 329 HA2 0.10 0.24 1.00 -0.51 4.01 4.84 2fpbB1 GLY 329 HA3 0.03 0.02 0.37 -0.51 4.01 3.91 2fpbB1 ILE 330 H -0.08 0.58 0.29 -0.55 8.25 8.48 2fpbB1 ILE 330 HA -0.43 0.34 0.95 -0.75 4.18 4.28 2fpbB1 ILE 330 HB -0.19 -0.07 0.10 -0.04 1.89 1.68 2fpbB1 ILE 330 HG12 -0.79 0.04 -0.20 -0.04 1.49 0.50 2fpbB1 ILE 330 HG13 -0.27 -0.06 -0.60 -0.04 1.21 0.24 2fpbB1 ILE 330 HG23 -0.42 -0.01 -0.27 -0.04 0.93 0.20 2fpbB1 ILE 330 HD13 -0.17 -0.01 -0.18 -0.04 0.88 0.47 2fpbB1 LEU 331 H -0.27 0.70 0.29 -0.55 8.37 8.54 2fpbB1 LEU 331 HA -0.09 0.20 1.06 -0.75 4.35 4.77 2fpbB1 LEU 331 HB2 -0.19 -0.10 0.05 -0.04 1.64 1.36 2fpbB1 LEU 331 HB3 -0.08 0.09 0.02 -0.04 1.64 1.63 2fpbB1 LEU 331 HG -0.19 0.00 -0.07 -0.04 1.64 1.33 2fpbB1 LEU 331 HD13 -0.15 -0.00 -0.08 -0.04 0.93 0.66 2fpbB1 LEU 331 HD23 -0.03 0.01 -0.11 -0.04 0.89 0.72 2fpbB1 VAL 332 H -0.04 0.89 0.37 -0.55 8.24 8.91 2fpbB1 VAL 332 HA -0.03 0.07 0.84 -0.75 4.13 4.25 2fpbB1 VAL 332 HB -0.02 0.05 0.28 -0.04 2.12 2.38 2fpbB1 VAL 332 HG13 -0.01 -0.01 -0.05 -0.04 0.97 0.85 2fpbB1 VAL 332 HG23 -0.05 -0.01 -0.17 -0.04 0.95 0.69 2fpbB1 TYR 333 H 0.08 0.52 0.22 -0.55 8.29 8.56 2fpbB1 TYR 333 HA -0.02 0.14 0.32 -0.75 4.56 4.25 2fpbB1 TYR 333 HB2 -0.08 -0.02 -0.23 -0.04 3.06 2.70 2fpbB1 TYR 333 HB3 -0.03 0.21 -0.08 -0.04 2.98 3.04 2fpbB1 TYR 333 HD2 0.06 -0.01 -0.10 -0.04 7.15 7.05 2fpbB1 TYR 333 HE2 0.21 -0.03 -0.08 -0.04 6.85 6.92