============================================================================= 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. HIS 8 0.900 4.119 53.883 -65.013 -99.200 -91.000 TYR 9 0.840 0.406 46.480 -65.251 -99.200 -91.000 TRP 13 1.040 1.244 58.089 -65.679 -99.200 -91.000 TRP6 13 1.020 1.503 57.723 -63.369 -99.200 -91.000 HIS 14 0.900 -2.722 51.390 -67.735 -99.200 -91.000 TYR 16 0.840 -9.395 53.067 -62.190 -99.200 -91.000 TYR 18 0.840 -18.229 61.017 -66.491 -99.200 -91.000 HIS 23 0.900 -7.645 67.317 -65.235 -99.200 -91.000 PHE 31 1.000 -2.921 64.876 -69.087 -99.200 -91.000 PHE 39 1.000 -9.715 65.494 -88.425 -99.200 -91.000 HIS 47 0.900 -8.299 68.978 -83.615 -99.200 -91.000 PHE 50 1.000 -4.545 69.052 -91.525 -99.200 -91.000 TYR 57 0.840 -19.354 70.412 -96.533 -99.200 -91.000 PHE 58 1.000 -18.719 63.748 -91.376 -99.200 -91.000 TYR 66 0.840 -25.364 62.156 -96.968 -99.200 -91.000 PHE 69 1.000 -27.211 55.798 -99.811 -99.200 -91.000 TYR 90 0.840 -28.203 45.303 -90.799 -99.200 -91.000 PHE 113 1.000 -14.793 53.257 -99.754 -99.200 -91.000 TRP 116 1.040 -7.861 51.314 -99.551 -99.200 -91.000 TRP6 116 1.020 -8.538 53.503 -98.995 -99.200 -91.000 TYR 119 0.840 -6.603 43.865 -97.719 -99.200 -91.000 PHE 129 1.000 -2.077 47.904 -97.052 -99.200 -91.000 TYR 131 0.840 -3.714 43.914-107.463 -99.200 -91.000 PHE 144 1.000 -8.712 63.643-103.848 -99.200 -91.000 HIS 149 0.900 -23.117 66.839-105.357 -99.200 -91.000 TYR 173 0.840 -10.180 65.639 -93.467 -99.200 -91.000 PHE 213 1.000 -31.796 49.377 -76.723 -99.200 -91.000 TYR 220 0.840 -25.141 47.624 -69.463 -99.200 -91.000 TYR 221 0.840 -22.879 45.259 -72.958 -99.200 -91.000 PHE 226 1.000 -7.400 49.907 -74.305 -99.200 -91.000 HIS 229 0.900 -4.489 59.196 -79.858 -99.200 -91.000 PHE 231 1.000 1.740 59.393 -76.449 -99.200 -91.000 TYR 237 0.840 2.102 66.331 -58.524 -99.200 -91.000 TYR 252 0.840 -8.012 51.511 -69.407 -99.200 -91.000 PHE 262 1.000 -19.809 62.662 -63.306 -99.200 -91.000 PHE 263 1.000 -23.135 57.514 -66.491 -99.200 -91.000 PHE 269 1.000 -29.656 49.533 -72.200 -99.200 -91.000 HIS 277 0.900 -22.453 58.333 -74.272 -99.200 -91.000 PHE 280 1.000 -20.842 59.155 -80.149 -99.200 -91.000 HIS 285 0.900 -8.113 65.737 -80.569 -99.200 -91.000 HIS 307 0.900 -36.496 40.791 -91.646 -99.200 -91.000 PHE 308 1.000 -33.476 38.516 -86.816 -99.200 -91.000 TYR 315 0.840 -23.387 34.733 -76.061 -99.200 -91.000 TYR 329 0.840 -21.763 39.944 -79.906 -99.200 -91.000 PHE 333 1.000 -22.958 32.544 -87.912 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2rfbB1 MET 10 HA 0.11 -0.22 0.22 -0.75 4.52 3.88 2rfbB1 MET 10 HB2 0.10 -0.06 -0.07 -0.04 2.15 2.08 2rfbB1 MET 10 HB3 0.27 -0.04 0.05 -0.04 2.03 2.27 2rfbB1 MET 10 HG2 0.10 0.03 0.03 -0.04 2.63 2.75 2rfbB1 MET 10 HG3 0.02 0.04 0.09 -0.04 2.56 2.67 2rfbB1 MET 10 HE3 0.02 -0.01 -0.12 -0.04 2.10 1.95 2rfbB1 ARG 11 H 0.03 -0.33 0.16 -0.55 8.46 7.77 2rfbB1 ARG 11 HA -0.00 0.17 0.73 -0.75 4.34 4.48 2rfbB1 LEU 12 H 0.00 -0.23 0.10 -0.55 8.37 7.69 2rfbB1 LEU 12 HA -0.03 -0.14 0.36 -0.75 4.35 3.78 2rfbB1 LEU 12 HB2 -0.06 0.12 -0.01 -0.04 1.64 1.65 2rfbB1 LEU 12 HB3 -0.07 0.03 -0.01 -0.04 1.64 1.55 2rfbB1 LEU 12 HG -0.09 0.03 -0.11 -0.04 1.64 1.43 2rfbB1 LEU 12 HD13 -0.28 0.01 0.00 -0.04 0.93 0.61 2rfbB1 LEU 12 HD23 -0.07 -0.02 -0.10 -0.04 0.89 0.66 2rfbB1 ASN 13 H -0.06 0.02 0.08 -0.55 8.53 8.03 2rfbB1 ASN 13 HA -0.01 0.29 0.92 -0.75 4.76 5.21 2rfbB1 ASN 13 HB2 -0.10 -0.17 0.01 -0.04 2.88 2.58 2rfbB1 ASN 13 HB3 -0.05 0.14 0.01 -0.04 2.79 2.84 2rfbB1 ASN 13 HD21 -0.00 0.06 -0.12 -0.04 7.03 6.93 2rfbB1 ASN 13 HD22 -0.03 -0.16 -0.12 -0.04 7.74 7.39 2rfbB1 ASP 14 H 0.02 0.10 0.14 -0.55 8.40 8.11 2rfbB1 ASP 14 HA 0.04 0.20 0.50 -0.75 4.63 4.61 2rfbB1 ASP 14 HB2 0.08 -0.11 0.17 -0.04 2.71 2.81 2rfbB1 ASP 14 HB3 0.13 0.13 0.01 -0.04 2.70 2.93 2rfbB1 PRO 15 HA 0.20 0.14 0.77 -0.51 4.44 5.04 2rfbB1 PRO 15 HB2 0.42 -0.03 -0.17 -0.04 2.28 2.45 2rfbB1 PRO 15 HB3 0.08 -0.04 -0.02 -0.04 2.02 2.01 2rfbB1 PRO 15 HG2 -0.08 -0.02 -0.03 -0.04 2.03 1.86 2rfbB1 PRO 15 HG3 -0.23 0.00 -0.03 -0.04 2.03 1.74 2rfbB1 PRO 15 HD2 -0.01 0.16 0.25 -0.04 3.68 4.04 2rfbB1 PRO 15 HD3 -0.04 0.15 0.15 -0.04 3.65 3.87 2rfbB1 VAL 16 H 0.36 0.39 0.25 -0.55 8.24 8.69 2rfbB1 VAL 16 HA 0.32 0.22 1.08 -0.75 4.13 5.00 2rfbB1 VAL 16 HB 0.14 0.04 -0.03 -0.04 2.12 2.23 2rfbB1 VAL 16 HG13 0.09 -0.00 0.06 -0.04 0.97 1.07 2rfbB1 VAL 16 HG23 0.04 -0.01 -0.22 -0.04 0.95 0.72 2rfbB1 HIS 17 H 0.15 0.18 0.10 -0.55 8.41 8.30 2rfbB1 HIS 17 HA -0.46 0.28 0.82 -0.75 4.63 4.52 2rfbB1 HIS 17 HB2 -2.47 -0.01 0.00 -0.04 3.26 0.75 2rfbB1 HIS 17 HB3 -0.54 -0.02 0.13 -0.04 3.20 2.72 2rfbB1 HIS 17 HD2 -1.65 -0.02 -0.42 -0.04 6.97 4.83 2rfbB1 HIS 17 HE1 -0.23 -0.04 -0.10 -0.04 7.75 7.34 2rfbB1 TYR 18 H -0.25 0.93 0.32 -0.55 8.29 8.73 2rfbB1 TYR 18 HA -0.25 0.07 0.80 -0.75 4.56 4.43 2rfbB1 TYR 18 HB2 -0.21 0.02 -0.27 -0.04 3.06 2.55 2rfbB1 TYR 18 HB3 -0.46 0.05 -0.04 -0.04 2.98 2.49 2rfbB1 TYR 18 HD2 -0.23 0.04 -0.06 -0.04 7.15 6.85 2rfbB1 TYR 18 HE2 -0.12 0.00 -0.02 -0.04 6.85 6.68 2rfbB1 ASP 19 H -0.79 0.14 0.12 -0.55 8.40 7.32 2rfbB1 ASP 19 HA -0.45 0.02 0.34 -0.75 4.63 3.79 2rfbB1 ASP 19 HB2 -0.80 -0.04 -0.18 -0.04 2.71 1.65 2rfbB1 ASP 19 HB3 -0.11 0.18 -0.07 -0.04 2.70 2.66 2rfbB1 GLY 20 H -0.35 0.02 -0.12 -0.55 8.43 7.44 2rfbB1 GLY 20 HA2 -0.03 -0.03 0.27 -0.51 4.01 3.71 2rfbB1 GLY 20 HA3 -0.08 0.09 0.43 -0.51 4.01 3.93 2rfbB1 ALA 21 H -0.48 0.40 -0.39 -0.55 8.40 7.39 2rfbB1 ALA 21 HA -0.14 0.11 0.69 -0.75 4.34 4.24 2rfbB1 ALA 21 HB3 -0.19 0.03 -0.08 -0.04 1.41 1.13 2rfbB1 TRP 22 H 0.08 0.63 0.28 -0.55 7.97 8.41 2rfbB1 TRP 22 HA 0.08 0.14 0.75 -0.75 4.62 4.84 2rfbB1 TRP 22 HB2 -0.06 0.00 0.12 -0.04 3.23 3.25 2rfbB1 TRP 22 HB3 0.01 -0.04 -0.12 -0.04 3.23 3.04 2rfbB1 TRP 22 HD1 0.05 0.19 -0.08 -0.04 7.22 7.34 2rfbB1 TRP 22 HE1 0.01 -0.08 0.03 -0.04 10.20 10.13 2rfbB1 TRP 22 HE3 0.12 -0.03 -0.52 -0.04 7.59 7.12 2rfbB1 TRP 22 HZ2 -0.09 0.06 0.05 -0.04 7.44 7.42 2rfbB1 TRP 22 HZ3 0.10 0.08 -0.10 -0.04 7.13 7.17 2rfbB1 TRP 22 HH2 -0.00 -0.01 -0.00 -0.04 7.19 7.14 2rfbB1 HIS 23 H 0.40 0.43 0.23 -0.55 8.41 8.93 2rfbB1 HIS 23 HA 0.26 0.30 1.05 -0.75 4.63 5.48 2rfbB1 HIS 23 HB2 0.03 -0.07 0.16 -0.04 3.26 3.34 2rfbB1 HIS 23 HB3 -0.01 -0.01 -0.02 -0.04 3.20 3.11 2rfbB1 HIS 23 HD2 -0.01 0.23 0.12 -0.04 6.97 7.26 2rfbB1 HIS 23 HE1 -0.00 -0.02 -0.11 -0.04 7.75 7.57 2rfbB1 VAL 24 H 0.28 0.86 0.30 -0.55 8.24 9.12 2rfbB1 VAL 24 HA 0.11 0.07 0.84 -0.75 4.13 4.39 2rfbB1 VAL 24 HB 0.02 0.06 0.05 -0.04 2.12 2.21 2rfbB1 VAL 24 HG13 -0.06 0.01 -0.29 -0.04 0.97 0.59 2rfbB1 VAL 24 HG23 -0.02 0.01 -0.24 -0.04 0.95 0.67 2rfbB1 TYR 25 H -0.26 0.10 0.18 -0.55 8.29 7.75 2rfbB1 TYR 25 HA 0.13 0.20 0.96 -0.75 4.56 5.09 2rfbB1 TYR 25 HB2 -0.07 0.03 0.04 -0.04 3.06 3.02 2rfbB1 TYR 25 HB3 -0.20 0.03 -0.25 -0.04 2.98 2.51 2rfbB1 TYR 25 HD2 -0.02 0.05 -0.13 -0.04 7.15 7.01 2rfbB1 TYR 25 HE2 -0.00 0.04 -0.00 -0.04 6.85 6.85 2rfbB1 LYS 26 H -0.33 0.00 0.11 -0.55 8.42 7.64 2rfbB1 LYS 26 HA -0.02 0.31 0.87 -0.75 4.32 4.73 2rfbB1 LYS 26 HB2 -0.20 -0.08 0.10 -0.04 1.87 1.64 2rfbB1 LYS 26 HB3 -0.05 -0.06 0.04 -0.04 1.79 1.68 2rfbB1 LYS 26 HG2 -0.79 0.01 -0.07 -0.04 1.46 0.56 2rfbB1 LYS 26 HG3 -0.21 0.03 -0.01 -0.04 1.46 1.22 2rfbB1 LYS 26 HD2 0.01 -0.07 0.05 -0.04 1.69 1.64 2rfbB1 LYS 26 HD3 0.01 0.14 -0.03 -0.04 1.68 1.77 2rfbB1 LYS 26 HE2 0.02 0.01 -0.03 -0.04 2.99 2.95 2rfbB1 LYS 26 HE3 0.05 -0.00 0.00 -0.04 2.99 3.00 2rfbB1 TYR 27 H 0.16 0.25 0.19 -0.55 8.29 8.34 2rfbB1 TYR 27 HA -0.07 0.09 0.20 -0.75 4.56 4.03 2rfbB1 TYR 27 HB2 -0.02 0.27 0.24 -0.04 3.06 3.50 2rfbB1 TYR 27 HB3 -0.12 -0.08 0.12 -0.04 2.98 2.86 2rfbB1 TYR 27 HD2 -0.46 0.12 -0.24 -0.04 7.15 6.53 2rfbB1 TYR 27 HE2 -0.41 0.01 -0.05 -0.04 6.85 6.36 2rfbB1 SER 28 H 0.13 0.10 -0.08 -0.55 8.46 8.07 2rfbB1 SER 28 HA 0.07 0.17 0.39 -0.75 4.49 4.37 2rfbB1 SER 28 HB2 0.24 0.11 0.12 -0.04 3.95 4.38 2rfbB1 SER 28 HB3 0.07 -0.11 0.09 -0.04 3.93 3.93 2rfbB1 ASP 29 H -0.03 0.21 -0.32 -0.55 8.40 7.72 2rfbB1 ASP 29 HA 0.00 0.09 0.42 -0.75 4.63 4.39 2rfbB1 ASP 29 HB2 -0.09 0.08 0.09 -0.04 2.71 2.75 2rfbB1 ASP 29 HB3 -0.07 0.07 0.03 -0.04 2.70 2.69 2rfbB1 VAL 30 H -0.09 0.43 -0.12 -0.55 8.24 7.91 2rfbB1 VAL 30 HA -0.10 0.06 0.42 -0.75 4.13 3.76 2rfbB1 VAL 30 HB -0.18 0.06 -0.07 -0.04 2.12 1.89 2rfbB1 VAL 30 HG13 -0.10 0.01 -0.24 -0.04 0.97 0.60 2rfbB1 VAL 30 HG23 -0.00 0.02 -0.24 -0.04 0.95 0.69 2rfbB1 LYS 31 H -0.22 0.54 -0.24 -0.55 8.42 7.94 2rfbB1 LYS 31 HA -0.15 0.03 0.29 -0.75 4.32 3.73 2rfbB1 LYS 31 HB2 -0.37 0.04 0.02 -0.04 1.87 1.52 2rfbB1 LYS 31 HB3 -0.11 0.05 0.08 -0.04 1.79 1.78 2rfbB1 LYS 31 HG2 -0.00 0.00 -0.21 -0.04 1.46 1.20 2rfbB1 LYS 31 HG3 -0.06 -0.05 -0.02 -0.04 1.46 1.28 2rfbB1 LYS 31 HD2 -0.04 0.03 -0.06 -0.04 1.69 1.58 2rfbB1 LYS 31 HD3 0.03 0.00 -0.05 -0.04 1.68 1.62 2rfbB1 LYS 31 HE2 0.05 -0.01 -0.06 -0.04 2.99 2.94 2rfbB1 LYS 31 HE3 0.03 -0.03 -0.04 -0.04 2.99 2.91 2rfbB1 HIS 32 H 0.05 0.34 -0.34 -0.55 8.41 7.92 2rfbB1 HIS 32 HA 0.00 0.02 0.31 -0.75 4.63 4.21 2rfbB1 HIS 32 HB2 -0.00 0.04 0.12 -0.04 3.26 3.38 2rfbB1 HIS 32 HB3 -0.04 0.05 0.16 -0.04 3.20 3.34 2rfbB1 HIS 32 HD2 0.04 0.00 -0.11 -0.04 6.97 6.85 2rfbB1 HIS 32 HE1 0.05 -0.01 -0.02 -0.04 7.75 7.73 2rfbB1 VAL 33 H -0.08 0.48 -0.15 -0.55 8.24 7.94 2rfbB1 VAL 33 HA -0.18 0.02 0.37 -0.75 4.13 3.58 2rfbB1 VAL 33 HB -0.22 0.05 0.06 -0.04 2.12 1.98 2rfbB1 VAL 33 HG13 -0.50 0.00 -0.25 -0.04 0.97 0.18 2rfbB1 VAL 33 HG23 -0.48 0.04 -0.04 -0.04 0.95 0.44 2rfbB1 LEU 34 H -0.10 0.52 -0.17 -0.55 8.37 8.08 2rfbB1 LEU 34 HA -0.03 0.08 0.36 -0.75 4.35 4.00 2rfbB1 LEU 34 HB2 -0.06 0.04 0.03 -0.04 1.64 1.60 2rfbB1 LEU 34 HB3 -0.02 0.09 0.03 -0.04 1.64 1.70 2rfbB1 LEU 34 HG -0.09 0.06 -0.00 -0.04 1.64 1.57 2rfbB1 LEU 34 HD13 -0.05 -0.05 -0.09 -0.04 0.93 0.69 2rfbB1 LEU 34 HD23 -0.06 -0.00 -0.05 -0.04 0.89 0.74 2rfbB1 MET 35 H -0.05 0.61 -0.24 -0.55 8.47 8.25 2rfbB1 MET 35 HA -0.01 -0.07 0.47 -0.75 4.52 4.16 2rfbB1 MET 35 HB2 -0.02 0.16 0.08 -0.04 2.15 2.33 2rfbB1 MET 35 HB3 0.00 -0.11 0.07 -0.04 2.03 1.95 2rfbB1 MET 35 HG2 -0.02 0.16 0.02 -0.04 2.63 2.76 2rfbB1 MET 35 HG3 0.01 -0.06 -0.04 -0.04 2.56 2.43 2rfbB1 MET 35 HE3 0.02 -0.00 0.02 -0.04 2.10 2.10 2rfbB1 ASN 36 H -0.03 0.41 -0.66 -0.55 8.53 7.70 2rfbB1 ASN 36 HA -0.04 0.09 0.82 -0.75 4.76 4.88 2rfbB1 ASN 36 HB2 -0.15 0.36 0.20 -0.04 2.88 3.25 2rfbB1 ASN 36 HB3 -0.09 -0.22 0.23 -0.04 2.79 2.67 2rfbB1 ASN 36 HD21 -0.01 0.00 -0.01 -0.04 7.03 6.97 2rfbB1 ASN 36 HD22 -0.05 -0.13 0.04 -0.04 7.74 7.56 2rfbB1 ASP 37 H -0.00 0.27 -0.09 -0.55 8.40 8.03 2rfbB1 ASP 37 HA 0.04 0.42 0.29 -0.75 4.63 4.62 2rfbB1 ASP 37 HB2 0.03 -0.05 0.11 -0.04 2.71 2.75 2rfbB1 ASP 37 HB3 0.02 0.09 0.12 -0.04 2.70 2.90 2rfbB1 LYS 38 H -0.03 0.05 -0.17 -0.55 8.42 7.71 2rfbB1 LYS 38 HA -0.02 0.06 0.59 -0.75 4.32 4.20 2rfbB1 LYS 38 HB2 -0.05 0.05 -0.08 -0.04 1.87 1.75 2rfbB1 LYS 38 HB3 -0.02 -0.00 0.08 -0.04 1.79 1.80 2rfbB1 LYS 38 HG2 -0.04 -0.10 0.02 -0.04 1.46 1.29 2rfbB1 LYS 38 HG3 -0.03 0.05 0.02 -0.04 1.46 1.46 2rfbB1 LYS 38 HD2 -0.01 0.03 0.04 -0.04 1.69 1.70 2rfbB1 LYS 38 HD3 -0.01 -0.09 0.05 -0.04 1.68 1.58 2rfbB1 LYS 38 HE2 -0.01 0.03 0.13 -0.04 2.99 3.10 2rfbB1 LYS 38 HE3 -0.01 0.03 0.06 -0.04 2.99 3.02 2rfbB1 ILE 39 H -0.14 0.06 -0.15 -0.55 8.25 7.47 2rfbB1 ILE 39 HA -0.26 0.07 0.66 -0.75 4.18 3.89 2rfbB1 ILE 39 HB -0.39 0.05 0.12 -0.04 1.89 1.62 2rfbB1 ILE 39 HG12 -0.18 0.01 -0.01 -0.04 1.49 1.26 2rfbB1 ILE 39 HG13 -0.19 0.03 -0.04 -0.04 1.21 0.97 2rfbB1 ILE 39 HG23 -1.13 0.01 -0.16 -0.04 0.93 -0.39 2rfbB1 ILE 39 HD13 -0.09 -0.04 -0.04 -0.04 0.88 0.67 2rfbB1 PHE 40 H -0.11 0.93 0.12 -0.55 8.34 8.72 2rfbB1 PHE 40 HA -0.03 0.15 1.01 -0.75 4.62 4.99 2rfbB1 PHE 40 HB2 -0.10 0.18 0.07 -0.04 3.15 3.26 2rfbB1 PHE 40 HB3 -0.09 -0.04 -0.13 -0.04 3.06 2.76 2rfbB1 PHE 40 HD2 -0.11 0.09 -0.10 -0.04 7.28 7.11 2rfbB1 PHE 40 HE2 -0.14 -0.02 -0.15 -0.04 7.38 7.03 2rfbB1 PHE 40 HZ -0.07 -0.04 -0.18 -0.04 7.32 6.99 2rfbB1 SER 41 H 0.10 0.67 0.21 -0.55 8.46 8.89 2rfbB1 SER 41 HA 0.05 0.15 0.41 -0.75 4.49 4.34 2rfbB1 SER 41 HB2 0.04 0.06 0.06 -0.04 3.95 4.06 2rfbB1 SER 41 HB3 0.10 0.20 0.13 -0.04 3.93 4.32 2rfbB1 SER 42 H 0.04 0.11 0.11 -0.55 8.46 8.17 2rfbB1 SER 42 HA -0.16 0.36 0.82 -0.75 4.49 4.75 2rfbB1 SER 42 HB2 -0.08 0.00 0.00 -0.04 3.95 3.84 2rfbB1 SER 42 HB3 -0.10 0.17 0.24 -0.04 3.93 4.20 2rfbB1 ASN 43 H 0.08 -0.01 -0.40 -0.55 8.53 7.66 2rfbB1 ASN 43 HA 0.05 0.25 0.19 -0.75 4.76 4.50 2rfbB1 ASN 43 HB2 -0.02 0.04 0.02 -0.04 2.88 2.88 2rfbB1 ASN 43 HB3 0.02 -0.09 -0.04 -0.04 2.79 2.64 2rfbB1 ASN 43 HD21 -0.03 0.02 -0.04 -0.04 7.03 6.93 2rfbB1 ASN 43 HD22 -0.02 -0.02 -0.02 -0.04 7.74 7.64 2rfbB1 GLY 52 HA2 0.00 -0.01 0.18 -0.51 4.01 3.67 2rfbB1 GLY 52 HA3 -0.02 -0.01 0.19 -0.51 4.01 3.66 2rfbB1 GLY 53 H -0.02 0.14 0.09 -0.55 8.43 8.10 2rfbB1 GLY 53 HA2 0.02 0.10 0.31 -0.51 4.01 3.93 2rfbB1 GLY 53 HA3 -0.00 0.04 0.27 -0.51 4.01 3.81 2rfbB1 ILE 54 H -0.06 0.00 -0.14 -0.55 8.25 7.50 2rfbB1 ILE 54 HA -0.13 0.14 0.62 -0.75 4.18 4.06 2rfbB1 ILE 54 HB -0.15 -0.01 -0.05 -0.04 1.89 1.64 2rfbB1 ILE 54 HG12 -0.06 0.00 0.01 -0.04 1.49 1.39 2rfbB1 ILE 54 HG13 -0.07 0.12 -0.10 -0.04 1.21 1.12 2rfbB1 ILE 54 HG23 -0.15 0.01 -0.03 -0.04 0.93 0.71 2rfbB1 ILE 54 HD13 -0.07 0.02 -0.07 -0.04 0.88 0.72 2rfbB1 SER 55 H -0.06 0.26 -0.46 -0.55 8.46 7.66 2rfbB1 SER 55 HA -0.05 0.15 0.22 -0.75 4.49 4.05 2rfbB1 SER 55 HB2 -0.03 0.15 -0.41 -0.04 3.95 3.62 2rfbB1 SER 55 HB3 -0.25 0.12 -0.07 -0.04 3.93 3.68 2rfbB1 PHE 56 H -0.28 0.15 0.15 -0.55 8.34 7.81 2rfbB1 PHE 56 HA -0.15 0.17 0.43 -0.75 4.62 4.31 2rfbB1 PHE 56 HB2 0.07 -0.02 0.13 -0.04 3.15 3.29 2rfbB1 PHE 56 HB3 -0.12 -0.00 0.05 -0.04 3.06 2.94 2rfbB1 PHE 56 HD2 -0.07 0.01 -0.11 -0.04 7.28 7.06 2rfbB1 PHE 56 HE2 -0.53 0.03 -0.04 -0.04 7.38 6.80 2rfbB1 PHE 56 HZ -0.13 -0.01 -0.03 -0.04 7.32 7.12 2rfbB1 ILE 57 H -0.39 0.30 -0.13 -0.55 8.25 7.48 2rfbB1 ILE 57 HA 0.04 0.06 0.47 -0.75 4.18 4.00 2rfbB1 ILE 57 HB -0.31 -0.03 0.12 -0.04 1.89 1.63 2rfbB1 ILE 57 HG12 -0.10 0.02 0.04 -0.04 1.49 1.41 2rfbB1 ILE 57 HG13 -0.06 0.00 0.11 -0.04 1.21 1.23 2rfbB1 ILE 57 HG23 -0.21 0.14 -0.08 -0.04 0.93 0.73 2rfbB1 ILE 57 HD13 -0.12 -0.01 0.03 -0.04 0.88 0.73 2rfbB1 THR 58 H -0.06 0.22 -0.65 -0.55 8.28 7.25 2rfbB1 THR 58 HA 0.08 0.34 0.83 -0.75 4.39 4.88 2rfbB1 THR 58 HB 0.03 -0.02 0.20 -0.04 4.32 4.48 2rfbB1 THR 58 HG23 -0.07 0.01 -0.09 -0.04 1.22 1.03 2rfbB1 MET 59 H 0.13 0.47 -0.39 -0.55 8.47 8.13 2rfbB1 MET 59 HA 0.05 0.12 0.80 -0.75 4.52 4.74 2rfbB1 MET 59 HB2 0.21 0.19 0.03 -0.04 2.15 2.55 2rfbB1 MET 59 HB3 0.12 -0.09 -0.11 -0.04 2.03 1.91 2rfbB1 MET 59 HG2 -0.07 -0.01 -0.10 -0.04 2.63 2.41 2rfbB1 MET 59 HG3 -0.07 0.17 -0.32 -0.04 2.56 2.29 2rfbB1 MET 59 HE3 -0.70 -0.02 -0.28 -0.04 2.10 1.06 2rfbB1 ASP 60 H 0.07 0.12 0.09 -0.55 8.40 8.13 2rfbB1 ASP 60 HA 0.08 0.25 0.81 -0.75 4.63 5.01 2rfbB1 ASP 60 HB2 0.05 -0.01 0.04 -0.04 2.71 2.75 2rfbB1 ASP 60 HB3 0.04 -0.02 0.08 -0.04 2.70 2.76 2rfbB1 ASN 61 H 0.03 0.16 0.09 -0.55 8.53 8.27 2rfbB1 ASN 61 HA 0.06 0.04 0.23 -0.75 4.76 4.33 2rfbB1 ASN 61 HB2 0.02 -0.01 0.11 -0.04 2.88 2.96 2rfbB1 ASN 61 HB3 0.03 0.05 0.09 -0.04 2.79 2.93 2rfbB1 ASN 61 HD21 0.01 0.01 0.03 -0.04 7.03 7.04 2rfbB1 ASN 61 HD22 0.01 -0.01 0.02 -0.04 7.74 7.71 2rfbB1 PRO 62 HA 0.06 0.15 0.38 -0.51 4.44 4.52 2rfbB1 PRO 62 HB2 0.05 0.02 0.07 -0.04 2.28 2.38 2rfbB1 PRO 62 HB3 0.04 0.05 0.07 -0.04 2.02 2.14 2rfbB1 PRO 62 HG2 0.04 0.04 0.06 -0.04 2.03 2.14 2rfbB1 PRO 62 HG3 0.03 0.05 0.06 -0.04 2.03 2.14 2rfbB1 PRO 62 HD2 0.06 0.12 -0.19 -0.04 3.68 3.63 2rfbB1 PRO 62 HD3 0.04 0.04 0.05 -0.04 3.65 3.74 2rfbB1 GLU 63 H 0.09 0.10 0.05 -0.55 8.60 8.29 2rfbB1 GLU 63 HA 0.17 0.03 0.34 -0.75 4.29 4.08 2rfbB1 GLU 63 HB2 0.09 -0.03 0.10 -0.04 2.09 2.21 2rfbB1 GLU 63 HB3 0.09 0.03 -0.14 -0.04 1.99 1.93 2rfbB1 GLU 63 HG2 0.22 0.01 -0.02 -0.04 2.34 2.51 2rfbB1 GLU 63 HG3 0.12 -0.01 0.02 -0.04 2.34 2.42 2rfbB1 HIS 64 H 0.22 0.46 -0.59 -0.55 8.41 7.94 2rfbB1 HIS 64 HA 0.12 -0.02 0.40 -0.75 4.63 4.38 2rfbB1 HIS 64 HB2 0.16 0.05 -0.17 -0.04 3.26 3.27 2rfbB1 HIS 64 HB3 0.08 0.11 -0.54 -0.04 3.20 2.80 2rfbB1 HIS 64 HD2 0.46 0.14 -0.07 -0.04 6.97 7.46 2rfbB1 HIS 64 HE1 -0.20 0.17 -0.01 -0.04 7.75 7.67 2rfbB1 LYS 65 H 0.12 0.66 -0.03 -0.55 8.42 8.61 2rfbB1 LYS 65 HA -0.37 -0.06 0.62 -0.75 4.32 3.75 2rfbB1 LYS 65 HB2 0.04 0.16 0.27 -0.04 1.87 2.30 2rfbB1 LYS 65 HB3 -0.04 -0.05 0.21 -0.04 1.79 1.87 2rfbB1 LYS 65 HG2 0.17 0.01 0.03 -0.04 1.46 1.63 2rfbB1 LYS 65 HG3 0.07 -0.05 0.08 -0.04 1.46 1.53 2rfbB1 LYS 65 HD2 -0.04 -0.04 0.04 -0.04 1.69 1.61 2rfbB1 LYS 65 HD3 -0.12 -0.01 0.04 -0.04 1.68 1.55 2rfbB1 LYS 65 HE2 0.09 0.11 0.10 -0.04 2.99 3.25 2rfbB1 LYS 65 HE3 0.03 -0.06 0.03 -0.04 2.99 2.95 2rfbB1 GLU 66 H -0.14 0.23 0.06 -0.55 8.60 8.19 2rfbB1 GLU 66 HA -0.05 0.01 0.45 -0.75 4.29 3.94 2rfbB1 GLU 66 HB2 0.02 0.06 0.02 -0.04 2.09 2.14 2rfbB1 GLU 66 HB3 0.10 0.22 -0.32 -0.04 1.99 1.94 2rfbB1 GLU 66 HG2 0.00 0.06 -0.27 -0.04 2.34 2.09 2rfbB1 GLU 66 HG3 -0.06 -0.04 -0.01 -0.04 2.34 2.19 2rfbB1 PHE 67 H 0.22 0.48 0.21 -0.55 8.34 8.69 2rfbB1 PHE 67 HA 0.03 0.16 0.84 -0.75 4.62 4.90 2rfbB1 PHE 67 HB2 -0.09 0.09 0.28 -0.04 3.15 3.38 2rfbB1 PHE 67 HB3 -0.11 -0.07 0.05 -0.04 3.06 2.89 2rfbB1 PHE 67 HD2 0.18 0.21 0.03 -0.04 7.28 7.66 2rfbB1 PHE 67 HE2 0.12 -0.04 -0.07 -0.04 7.38 7.36 2rfbB1 PHE 67 HZ 0.09 -0.05 -0.07 -0.04 7.32 7.25 2rfbB1 ARG 68 H -0.48 0.60 0.34 -0.55 8.46 8.37 2rfbB1 ARG 68 HA -0.93 0.06 0.38 -0.75 4.34 3.09 2rfbB1 ARG 68 HB2 -0.78 0.09 0.12 -0.04 1.90 1.29 2rfbB1 ARG 68 HB3 -0.41 -0.04 0.16 -0.04 1.80 1.46 2rfbB1 ARG 68 HG2 -0.12 -0.06 -0.12 -0.04 1.67 1.34 2rfbB1 ARG 68 HG3 -0.14 -0.04 0.05 -0.04 1.67 1.49 2rfbB1 ARG 68 HD2 0.10 0.05 0.01 -0.04 3.22 3.34 2rfbB1 ARG 68 HD3 -0.09 0.01 0.01 -0.04 3.22 3.11 2rfbB1 ASP 69 H -0.16 0.06 -0.28 -0.55 8.40 7.48 2rfbB1 ASP 69 HA -0.04 -0.00 0.19 -0.75 4.63 4.03 2rfbB1 ASP 69 HB2 -0.06 0.10 -0.06 -0.04 2.71 2.65 2rfbB1 ASP 69 HB3 -0.04 0.03 0.03 -0.04 2.70 2.68 2rfbB1 ILE 70 H -0.01 0.30 -0.56 -0.55 8.25 7.43 2rfbB1 ILE 70 HA 0.02 0.07 0.51 -0.75 4.18 4.02 2rfbB1 ILE 70 HB 0.02 0.07 0.10 -0.04 1.89 2.04 2rfbB1 ILE 70 HG12 -0.07 -0.05 0.07 -0.04 1.49 1.40 2rfbB1 ILE 70 HG13 -0.07 0.04 0.07 -0.04 1.21 1.20 2rfbB1 ILE 70 HG23 -0.08 -0.01 -0.15 -0.04 0.93 0.65 2rfbB1 ILE 70 HD13 -0.16 0.00 0.06 -0.04 0.88 0.75 2rfbB1 SER 71 H 0.19 0.32 -0.02 -0.55 8.46 8.40 2rfbB1 SER 71 HA 0.39 0.18 0.67 -0.75 4.49 4.97 2rfbB1 SER 71 HB2 0.55 -0.04 0.01 -0.04 3.95 4.43 2rfbB1 SER 71 HB3 0.34 0.00 -0.02 -0.04 3.93 4.21 2rfbB1 ALA 72 H 0.12 0.51 0.06 -0.55 8.40 8.54 2rfbB1 ALA 72 HA 0.18 0.01 0.34 -0.75 4.34 4.11 2rfbB1 ALA 72 HB3 0.02 0.01 -0.04 -0.04 1.41 1.37 2rfbB1 PRO 73 HA -0.05 -0.02 0.14 -0.51 4.44 4.00 2rfbB1 PRO 73 HB2 -0.39 0.03 -0.04 -0.04 2.28 1.84 2rfbB1 PRO 73 HB3 -0.15 -0.02 0.08 -0.04 2.02 1.89 2rfbB1 PRO 73 HG2 -0.49 0.09 -0.05 -0.04 2.03 1.55 2rfbB1 PRO 73 HG3 -0.16 0.05 0.02 -0.04 2.03 1.90 2rfbB1 PRO 73 HD2 0.04 0.16 -0.55 -0.04 3.68 3.28 2rfbB1 PRO 73 HD3 -0.03 0.08 0.04 -0.04 3.65 3.70 2rfbB1 TYR 74 H 0.08 0.42 -0.59 -0.55 8.29 7.66 2rfbB1 TYR 74 HA 0.00 0.04 0.59 -0.75 4.56 4.44 2rfbB1 TYR 74 HB2 0.05 0.16 0.09 -0.04 3.06 3.32 2rfbB1 TYR 74 HB3 -0.08 -0.06 0.09 -0.04 2.98 2.89 2rfbB1 TYR 74 HD2 0.04 0.04 0.05 -0.04 7.15 7.24 2rfbB1 TYR 74 HE2 0.01 0.05 0.01 -0.04 6.85 6.89 2rfbB1 PHE 75 H 0.28 0.77 0.00 -0.55 8.34 8.84 2rfbB1 PHE 75 HA 0.11 0.12 0.82 -0.75 4.62 4.91 2rfbB1 PHE 75 HB2 0.10 0.05 0.09 -0.04 3.15 3.34 2rfbB1 PHE 75 HB3 0.07 0.09 0.10 -0.04 3.06 3.28 2rfbB1 PHE 75 HD2 0.12 0.06 -0.07 -0.04 7.28 7.36 2rfbB1 PHE 75 HE2 0.11 -0.04 -0.05 -0.04 7.38 7.35 2rfbB1 PHE 75 HZ 0.08 -0.04 -0.06 -0.04 7.32 7.27 2rfbB1 LEU 76 H 0.10 0.23 -0.20 -0.55 8.37 7.96 2rfbB1 LEU 76 HA 0.08 0.09 0.41 -0.75 4.35 4.16 2rfbB1 LEU 76 HB2 0.02 0.09 0.06 -0.04 1.64 1.77 2rfbB1 LEU 76 HB3 0.03 -0.10 0.04 -0.04 1.64 1.57 2rfbB1 LEU 76 HG 0.02 0.05 -0.00 -0.04 1.64 1.67 2rfbB1 LEU 76 HD13 -0.02 0.01 0.03 -0.04 0.93 0.91 2rfbB1 LEU 76 HD23 0.03 -0.00 -0.01 -0.04 0.89 0.86 2rfbB1 PRO 77 HA 0.06 0.08 0.36 -0.51 4.44 4.44 2rfbB1 PRO 77 HB2 0.04 -0.04 0.14 -0.04 2.28 2.38 2rfbB1 PRO 77 HB3 0.04 0.05 0.09 -0.04 2.02 2.16 2rfbB1 PRO 77 HG2 0.03 0.06 0.10 -0.04 2.03 2.18 2rfbB1 PRO 77 HG3 0.04 0.06 0.13 -0.04 2.03 2.22 2rfbB1 PRO 77 HD2 0.04 0.08 0.20 -0.04 3.68 3.95 2rfbB1 PRO 77 HD3 0.05 0.20 0.24 -0.04 3.65 4.10 2rfbB1 SER 78 H 0.03 0.15 -0.08 -0.55 8.46 8.02 2rfbB1 SER 78 HA 0.03 0.05 0.33 -0.75 4.49 4.15 2rfbB1 SER 78 HB2 0.02 0.03 0.05 -0.04 3.95 4.01 2rfbB1 SER 78 HB3 0.02 -0.01 0.09 -0.04 3.93 3.99 2rfbB1 LYS 79 H 0.04 0.23 -0.39 -0.55 8.42 7.74 2rfbB1 LYS 79 HA 0.03 0.06 0.55 -0.75 4.32 4.21 2rfbB1 LYS 79 HB2 0.03 -0.06 0.05 -0.04 1.87 1.85 2rfbB1 LYS 79 HB3 0.06 0.25 -0.05 -0.04 1.79 2.01 2rfbB1 LYS 79 HG2 0.11 0.06 0.07 -0.04 1.46 1.65 2rfbB1 LYS 79 HG3 0.07 -0.05 0.12 -0.04 1.46 1.56 2rfbB1 LYS 79 HD2 0.02 -0.07 -0.03 -0.04 1.69 1.56 2rfbB1 LYS 79 HD3 -0.00 0.03 0.01 -0.04 1.68 1.68 2rfbB1 LYS 79 HE2 0.08 0.03 0.01 -0.04 2.99 3.08 2rfbB1 LYS 79 HE3 0.03 -0.02 0.04 -0.04 2.99 2.99 2rfbB1 ILE 80 H 0.08 0.47 -0.15 -0.55 8.25 8.10 2rfbB1 ILE 80 HA 0.20 0.06 0.60 -0.75 4.18 4.29 2rfbB1 ILE 80 HB 0.09 0.12 0.02 -0.04 1.89 2.07 2rfbB1 ILE 80 HG12 0.12 -0.10 -0.03 -0.04 1.49 1.44 2rfbB1 ILE 80 HG13 0.00 -0.08 0.05 -0.04 1.21 1.15 2rfbB1 ILE 80 HG23 0.10 -0.04 -0.30 -0.04 0.93 0.65 2rfbB1 ILE 80 HD13 -0.10 0.05 -0.05 -0.04 0.88 0.74 2rfbB1 ASN 81 H 0.07 0.48 -0.18 -0.55 8.53 8.36 2rfbB1 ASN 81 HA 0.08 -0.02 0.34 -0.75 4.76 4.40 2rfbB1 ASN 81 HB2 0.04 0.20 0.09 -0.04 2.88 3.17 2rfbB1 ASN 81 HB3 0.04 -0.06 0.07 -0.04 2.79 2.80 2rfbB1 ASN 81 HD21 0.04 -0.07 -0.17 -0.04 7.03 6.79 2rfbB1 ASN 81 HD22 0.03 0.00 -0.02 -0.04 7.74 7.71 2rfbB1 ASP 82 H 0.04 0.31 -0.63 -0.55 8.40 7.57 2rfbB1 ASP 82 HA -0.04 -0.00 0.45 -0.75 4.63 4.29 2rfbB1 ASP 82 HB2 -0.09 0.44 0.20 -0.04 2.71 3.22 2rfbB1 ASP 82 HB3 -0.30 -0.07 0.02 -0.04 2.70 2.31 2rfbB1 TYR 83 H 0.19 0.42 -0.14 -0.55 8.29 8.21 2rfbB1 TYR 83 HA 0.07 -0.02 0.25 -0.75 4.56 4.11 2rfbB1 TYR 83 HB2 0.05 0.19 0.11 -0.04 3.06 3.38 2rfbB1 TYR 83 HB3 0.13 -0.11 0.06 -0.04 2.98 3.02 2rfbB1 TYR 83 HD2 0.02 0.02 0.09 -0.04 7.15 7.23 2rfbB1 TYR 83 HE2 -0.11 0.05 -0.04 -0.04 6.85 6.70 2rfbB1 LYS 84 H 0.11 0.40 -0.62 -0.55 8.42 7.75 2rfbB1 LYS 84 HA 0.10 -0.04 0.28 -0.75 4.32 3.90 2rfbB1 LYS 84 HB2 0.07 0.10 0.14 -0.04 1.87 2.14 2rfbB1 LYS 84 HB3 0.05 0.02 0.10 -0.04 1.79 1.92 2rfbB1 LYS 84 HG2 0.05 -0.06 -0.07 -0.04 1.46 1.34 2rfbB1 LYS 84 HG3 0.06 -0.03 0.03 -0.04 1.46 1.48 2rfbB1 LYS 84 HD2 0.04 0.03 0.02 -0.04 1.69 1.74 2rfbB1 LYS 84 HD3 0.03 -0.00 -0.03 -0.04 1.68 1.64 2rfbB1 LYS 84 HE2 0.04 -0.02 -0.02 -0.04 2.99 2.94 2rfbB1 LYS 84 HE3 0.04 -0.01 -0.01 -0.04 2.99 2.97 2rfbB1 ASP 85 H 0.06 0.32 -0.16 -0.55 8.40 8.07 2rfbB1 ASP 85 HA 0.04 0.02 0.43 -0.75 4.63 4.36 2rfbB1 ASP 85 HB2 0.06 -0.01 0.15 -0.04 2.71 2.86 2rfbB1 ASP 85 HB3 0.05 -0.02 0.02 -0.04 2.70 2.72 2rfbB1 PHE 86 H 0.22 0.19 -0.03 -0.55 8.34 8.16 2rfbB1 PHE 86 HA 0.02 -0.01 0.32 -0.75 4.62 4.21 2rfbB1 PHE 86 HB2 0.03 -0.02 0.10 -0.04 3.15 3.22 2rfbB1 PHE 86 HB3 0.12 0.09 0.12 -0.04 3.06 3.35 2rfbB1 PHE 86 HD2 0.08 0.01 -0.03 -0.04 7.28 7.30 2rfbB1 PHE 86 HE2 0.02 0.00 -0.05 -0.04 7.38 7.32 2rfbB1 PHE 86 HZ 0.02 0.01 -0.06 -0.04 7.32 7.26 2rfbB1 ILE 87 H 0.11 0.56 -0.28 -0.55 8.25 8.09 2rfbB1 ILE 87 HA -0.21 0.02 0.60 -0.75 4.18 3.84 2rfbB1 ILE 87 HB 0.05 0.13 0.06 -0.04 1.89 2.09 2rfbB1 ILE 87 HG12 0.04 -0.04 -0.03 -0.04 1.49 1.42 2rfbB1 ILE 87 HG13 0.17 0.01 -0.08 -0.04 1.21 1.27 2rfbB1 ILE 87 HG23 0.00 -0.02 -0.17 -0.04 0.93 0.71 2rfbB1 ILE 87 HD13 0.11 -0.01 -0.18 -0.04 0.88 0.75 2rfbB1 GLU 88 H 0.00 0.66 0.08 -0.55 8.60 8.80 2rfbB1 GLU 88 HA -0.01 -0.02 0.28 -0.75 4.29 3.79 2rfbB1 GLU 88 HB2 0.00 0.11 0.16 -0.04 2.09 2.33 2rfbB1 GLU 88 HB3 0.00 -0.04 0.04 -0.04 1.99 1.95 2rfbB1 GLU 88 HG2 0.02 -0.08 0.06 -0.04 2.34 2.30 2rfbB1 GLU 88 HG3 0.03 0.35 0.12 -0.04 2.34 2.79 2rfbB1 GLU 89 H -0.06 0.38 -0.30 -0.55 8.60 8.07 2rfbB1 GLU 89 HA -0.04 0.03 0.41 -0.75 4.29 3.94 2rfbB1 GLU 89 HB2 -0.13 0.14 0.07 -0.04 2.09 2.12 2rfbB1 GLU 89 HB3 -0.04 -0.05 -0.00 -0.04 1.99 1.86 2rfbB1 GLU 89 HG2 -0.00 -0.04 0.01 -0.04 2.34 2.26 2rfbB1 GLU 89 HG3 0.00 0.27 0.03 -0.04 2.34 2.60 2rfbB1 THR 90 H -0.25 0.41 -0.18 -0.55 8.28 7.71 2rfbB1 THR 90 HA -0.15 -0.03 0.31 -0.75 4.39 3.76 2rfbB1 THR 90 HB -0.26 0.07 0.20 -0.04 4.32 4.29 2rfbB1 THR 90 HG23 -0.16 -0.03 -0.04 -0.04 1.22 0.96 2rfbB1 SER 91 H -0.09 0.60 -0.05 -0.55 8.46 8.37 2rfbB1 SER 91 HA 0.02 -0.01 0.32 -0.75 4.49 4.07 2rfbB1 SER 91 HB2 0.02 -0.05 -0.02 -0.04 3.95 3.86 2rfbB1 SER 91 HB3 0.01 0.13 0.02 -0.04 3.93 4.05 2rfbB1 ASN 92 H -0.02 0.42 -0.37 -0.55 8.53 8.01 2rfbB1 ASN 92 HA -0.03 0.00 0.29 -0.75 4.76 4.26 2rfbB1 ASN 92 HB2 -0.03 0.14 0.15 -0.04 2.88 3.10 2rfbB1 ASN 92 HB3 -0.04 0.11 0.20 -0.04 2.79 3.02 2rfbB1 ASN 92 HD21 -0.04 -0.03 -0.03 -0.04 7.03 6.89 2rfbB1 ASN 92 HD22 -0.03 -0.02 -0.01 -0.04 7.74 7.65 2rfbB1 ASP 93 H -0.03 0.56 0.00 -0.55 8.40 8.38 2rfbB1 ASP 93 HA -0.03 -0.01 0.37 -0.75 4.63 4.21 2rfbB1 ASP 93 HB2 -0.02 0.05 0.19 -0.04 2.71 2.88 2rfbB1 ASP 93 HB3 -0.01 -0.05 0.05 -0.04 2.70 2.65 2rfbB1 LEU 94 H 0.01 0.53 -0.01 -0.55 8.37 8.35 2rfbB1 LEU 94 HA 0.05 -0.02 0.32 -0.75 4.35 3.95 2rfbB1 LEU 94 HB2 0.01 0.18 0.10 -0.04 1.64 1.89 2rfbB1 LEU 94 HB3 0.13 0.01 0.12 -0.04 1.64 1.86 2rfbB1 LEU 94 HG -0.06 -0.08 -0.03 -0.04 1.64 1.42 2rfbB1 LEU 94 HD13 0.02 0.03 0.08 -0.04 0.93 1.03 2rfbB1 LEU 94 HD23 -0.01 -0.02 0.01 -0.04 0.89 0.83 2rfbB1 ILE 95 H 0.03 0.38 -0.84 -0.55 8.25 7.27 2rfbB1 ILE 95 HA -0.01 0.15 0.90 -0.75 4.18 4.46 2rfbB1 ILE 95 HB -0.02 0.09 -0.04 -0.04 1.89 1.88 2rfbB1 ILE 95 HG12 -0.16 -0.03 0.01 -0.04 1.49 1.27 2rfbB1 ILE 95 HG13 -0.32 -0.05 0.01 -0.04 1.21 0.81 2rfbB1 ILE 95 HG23 -0.23 0.09 -0.07 -0.04 0.93 0.67 2rfbB1 ILE 95 HD13 -0.22 -0.01 -0.19 -0.04 0.88 0.42 2rfbB1 LYS 96 H -0.06 0.62 0.11 -0.55 8.42 8.54 2rfbB1 LYS 96 HA -0.22 0.03 0.37 -0.75 4.32 3.75 2rfbB1 LYS 96 HB2 -0.04 0.04 0.13 -0.04 1.87 1.97 2rfbB1 LYS 96 HB3 -0.06 -0.09 0.11 -0.04 1.79 1.70 2rfbB1 LYS 96 HG2 -0.13 -0.06 0.05 -0.04 1.46 1.28 2rfbB1 LYS 96 HG3 -0.09 0.33 0.21 -0.04 1.46 1.87 2rfbB1 LYS 96 HD2 -0.03 -0.01 0.06 -0.04 1.69 1.67 2rfbB1 LYS 96 HD3 -0.04 -0.06 0.02 -0.04 1.68 1.56 2rfbB1 LYS 96 HE2 -0.05 -0.01 -0.06 -0.04 2.99 2.82 2rfbB1 LYS 96 HE3 -0.04 -0.02 -0.18 -0.04 2.99 2.70 2rfbB1 ASN 97 H -0.00 0.23 -0.47 -0.55 8.53 7.74 2rfbB1 ASN 97 HA 0.02 0.08 0.78 -0.75 4.76 4.89 2rfbB1 ASN 97 HB2 0.02 -0.03 0.07 -0.04 2.88 2.90 2rfbB1 ASN 97 HB3 0.01 -0.02 -0.04 -0.04 2.79 2.70 2rfbB1 ASN 97 HD21 0.02 0.01 0.02 -0.04 7.03 7.04 2rfbB1 ASN 97 HD22 0.02 -0.05 0.02 -0.04 7.74 7.69 2rfbB1 ILE 98 H 0.03 0.05 0.00 -0.55 8.25 7.78 2rfbB1 ILE 98 HA 0.05 0.20 0.90 -0.75 4.18 4.57 2rfbB1 ILE 98 HB 0.03 0.19 -0.05 -0.04 1.89 2.02 2rfbB1 ILE 98 HG12 0.03 -0.05 -0.57 -0.04 1.49 0.86 2rfbB1 ILE 98 HG13 -0.05 -0.02 -0.02 -0.04 1.21 1.08 2rfbB1 ILE 98 HG23 0.15 -0.04 -0.21 -0.04 0.93 0.79 2rfbB1 ILE 98 HD13 0.07 0.01 -0.12 -0.04 0.88 0.80 2rfbB1 ASP 99 H 0.03 0.10 0.14 -0.55 8.40 8.11 2rfbB1 ASP 99 HA 0.16 -0.03 0.35 -0.75 4.63 4.36 2rfbB1 ASP 99 HB2 0.02 0.00 0.08 -0.04 2.71 2.78 2rfbB1 ASP 99 HB3 0.04 0.01 0.09 -0.04 2.70 2.80 2rfbB1 ASN 100 H 0.12 0.02 0.17 -0.55 8.53 8.29 2rfbB1 ASN 100 HA 0.11 -0.05 0.41 -0.75 4.76 4.47 2rfbB1 ASN 100 HB2 0.06 -0.06 -0.21 -0.04 2.88 2.63 2rfbB1 ASN 100 HB3 0.07 0.18 0.24 -0.04 2.79 3.24 2rfbB1 ASN 100 HD21 0.01 -0.03 -0.03 -0.04 7.03 6.95 2rfbB1 ASN 100 HD22 0.14 0.03 -0.15 -0.04 7.74 7.72 2rfbB1 LYS 101 H 0.09 0.63 -0.47 -0.55 8.42 8.12 2rfbB1 LYS 101 HA 0.23 -0.01 0.41 -0.75 4.32 4.19 2rfbB1 LYS 101 HB2 0.04 0.22 -0.01 -0.04 1.87 2.09 2rfbB1 LYS 101 HB3 0.05 -0.16 0.11 -0.04 1.79 1.75 2rfbB1 LYS 101 HG2 0.08 -0.09 0.00 -0.04 1.46 1.42 2rfbB1 LYS 101 HG3 0.07 0.20 -0.02 -0.04 1.46 1.67 2rfbB1 LYS 101 HD2 0.04 0.16 -0.10 -0.04 1.69 1.75 2rfbB1 LYS 101 HD3 0.05 -0.07 -0.01 -0.04 1.68 1.61 2rfbB1 LYS 101 HE2 0.04 -0.05 -0.03 -0.04 2.99 2.91 2rfbB1 LYS 101 HE3 0.04 0.01 -0.09 -0.04 2.99 2.90 2rfbB1 ASP 102 H -0.11 0.11 0.12 -0.55 8.40 7.97 2rfbB1 ASP 102 HA -0.81 0.21 0.53 -0.75 4.63 3.81 2rfbB1 ASP 102 HB2 -1.42 0.10 0.04 -0.04 2.71 1.38 2rfbB1 ASP 102 HB3 -0.30 0.03 0.18 -0.04 2.70 2.57 2rfbB1 ILE 103 H -0.27 0.70 0.38 -0.55 8.25 8.51 2rfbB1 ILE 103 HA -0.02 0.15 0.32 -0.75 4.18 3.88 2rfbB1 ILE 103 HB -0.16 -0.06 0.13 -0.04 1.89 1.76 2rfbB1 ILE 103 HG12 -0.17 0.14 0.23 -0.04 1.49 1.65 2rfbB1 ILE 103 HG13 -0.21 -0.04 0.02 -0.04 1.21 0.93 2rfbB1 ILE 103 HG23 -0.02 0.01 -0.06 -0.04 0.93 0.81 2rfbB1 ILE 103 HD13 -0.00 0.01 -0.04 -0.04 0.88 0.80 2rfbB1 ILE 104 H -0.16 0.01 -0.09 -0.55 8.25 7.46 2rfbB1 ILE 104 HA -0.01 0.09 0.43 -0.75 4.18 3.93 2rfbB1 ILE 104 HB -0.07 -0.07 0.10 -0.04 1.89 1.81 2rfbB1 ILE 104 HG12 -0.11 -0.21 -0.08 -0.04 1.49 1.05 2rfbB1 ILE 104 HG13 0.02 0.12 -0.53 -0.04 1.21 0.79 2rfbB1 ILE 104 HG23 -0.00 0.07 -0.13 -0.04 0.93 0.82 2rfbB1 ILE 104 HD13 -0.01 0.02 -0.09 -0.04 0.88 0.76 2rfbB1 SER 105 H -0.09 0.06 -0.05 -0.55 8.46 7.83 2rfbB1 SER 105 HA -0.03 0.05 0.29 -0.75 4.49 4.05 2rfbB1 SER 105 HB2 -0.02 0.04 0.03 -0.04 3.95 3.96 2rfbB1 SER 105 HB3 -0.03 0.03 0.11 -0.04 3.93 4.00 2rfbB1 GLU 106 H -0.03 0.55 -0.22 -0.55 8.60 8.35 2rfbB1 GLU 106 HA 0.02 0.10 0.59 -0.75 4.29 4.24 2rfbB1 GLU 106 HB2 -0.01 -0.02 0.08 -0.04 2.09 2.10 2rfbB1 GLU 106 HB3 0.05 0.06 -0.06 -0.04 1.99 1.99 2rfbB1 GLU 106 HG2 0.04 0.16 0.08 -0.04 2.34 2.57 2rfbB1 GLU 106 HG3 0.04 0.01 0.16 -0.04 2.34 2.51 2rfbB1 TYR 107 H 0.08 0.25 -0.22 -0.55 8.29 7.84 2rfbB1 TYR 107 HA -0.01 0.17 0.89 -0.75 4.56 4.86 2rfbB1 TYR 107 HB2 0.00 0.17 -0.19 -0.04 3.06 3.00 2rfbB1 TYR 107 HB3 -0.01 0.02 0.13 -0.04 2.98 3.08 2rfbB1 TYR 107 HD2 -0.00 0.11 -0.24 -0.04 7.15 6.98 2rfbB1 TYR 107 HE2 -0.00 0.12 -0.08 -0.04 6.85 6.85 2rfbB1 ALA 108 H 0.11 0.70 0.43 -0.55 8.40 9.09 2rfbB1 ALA 108 HA -0.08 0.05 0.32 -0.75 4.34 3.87 2rfbB1 ALA 108 HB3 0.07 -0.00 0.13 -0.04 1.41 1.56 2rfbB1 VAL 109 H -0.02 0.55 0.01 -0.55 8.24 8.23 2rfbB1 VAL 109 HA -0.03 0.06 0.56 -0.75 4.13 3.97 2rfbB1 VAL 109 HB -0.02 0.13 0.06 -0.04 2.12 2.24 2rfbB1 VAL 109 HG13 -0.03 -0.01 -0.13 -0.04 0.97 0.75 2rfbB1 VAL 109 HG23 -0.03 -0.02 -0.08 -0.04 0.95 0.79 2rfbB1 ARG 110 H -0.08 0.16 -0.51 -0.55 8.46 7.49 2rfbB1 ARG 110 HA -0.03 -0.01 0.08 -0.75 4.34 3.63 2rfbB1 ARG 110 HB2 -0.11 0.18 0.00 -0.04 1.90 1.94 2rfbB1 ARG 110 HB3 -0.04 -0.06 -0.03 -0.04 1.80 1.63 2rfbB1 ARG 110 HG2 -0.02 -0.06 -0.13 -0.04 1.67 1.42 2rfbB1 ARG 110 HG3 -0.00 0.20 -0.30 -0.04 1.67 1.52 2rfbB1 ARG 110 HD2 0.00 -0.05 -0.03 -0.04 3.22 3.11 2rfbB1 ARG 110 HD3 0.00 -0.08 -0.05 -0.04 3.22 3.05 2rfbB1 LEU 111 H -0.22 0.47 -0.12 -0.55 8.37 7.94 2rfbB1 LEU 111 HA -0.15 0.00 0.23 -0.75 4.35 3.67 2rfbB1 LEU 111 HB2 -0.57 0.15 0.08 -0.04 1.64 1.26 2rfbB1 LEU 111 HB3 -0.23 0.07 0.06 -0.04 1.64 1.50 2rfbB1 LEU 111 HG -0.29 0.02 -0.03 -0.04 1.64 1.29 2rfbB1 LEU 111 HD13 -0.06 -0.01 -0.12 -0.04 0.93 0.70 2rfbB1 LEU 111 HD23 -0.13 -0.02 -0.05 -0.04 0.89 0.65 2rfbB1 PRO 112 HA 0.02 0.03 0.47 -0.51 4.44 4.45 2rfbB1 PRO 112 HB2 0.02 -0.02 -0.08 -0.04 2.28 2.16 2rfbB1 PRO 112 HB3 0.02 0.02 0.07 -0.04 2.02 2.09 2rfbB1 PRO 112 HG2 -0.01 0.13 0.03 -0.04 2.03 2.13 2rfbB1 PRO 112 HG3 -0.01 0.09 0.10 -0.04 2.03 2.17 2rfbB1 PRO 112 HD2 -0.09 -0.01 -0.54 -0.04 3.68 3.01 2rfbB1 PRO 112 HD3 -0.07 0.11 0.03 -0.04 3.65 3.68 2rfbB1 VAL 113 H 0.01 0.40 -0.35 -0.55 8.24 7.75 2rfbB1 VAL 113 HA 0.12 0.01 0.37 -0.75 4.13 3.88 2rfbB1 VAL 113 HB 0.02 0.10 0.07 -0.04 2.12 2.26 2rfbB1 VAL 113 HG13 0.05 0.04 -0.02 -0.04 0.97 0.99 2rfbB1 VAL 113 HG23 0.07 -0.03 -0.01 -0.04 0.95 0.94 2rfbB1 ASN 114 H 0.05 0.55 -0.11 -0.55 8.53 8.47 2rfbB1 ASN 114 HA 0.15 0.03 0.55 -0.75 4.76 4.74 2rfbB1 ASN 114 HB2 0.00 0.09 0.11 -0.04 2.88 3.04 2rfbB1 ASN 114 HB3 0.11 -0.04 0.03 -0.04 2.79 2.85 2rfbB1 ASN 114 HD21 0.02 -0.11 0.01 -0.04 7.03 6.91 2rfbB1 ASN 114 HD22 0.01 0.78 0.22 -0.04 7.74 8.71 2rfbB1 ILE 115 H 0.07 0.42 -0.16 -0.55 8.25 8.03 2rfbB1 ILE 115 HA 0.31 0.02 0.33 -0.75 4.18 4.09 2rfbB1 ILE 115 HB 0.05 0.11 0.18 -0.04 1.89 2.19 2rfbB1 ILE 115 HG12 0.03 -0.06 0.00 -0.04 1.49 1.43 2rfbB1 ILE 115 HG13 -0.03 0.02 0.08 -0.04 1.21 1.24 2rfbB1 ILE 115 HG23 0.04 -0.02 -0.14 -0.04 0.93 0.77 2rfbB1 ILE 115 HD13 -0.02 -0.00 -0.06 -0.04 0.88 0.76 2rfbB1 ILE 116 H 0.11 0.61 -0.12 -0.55 8.25 8.30 2rfbB1 ILE 116 HA 0.06 0.02 0.40 -0.75 4.18 3.90 2rfbB1 ILE 116 HB 0.15 0.29 0.14 -0.04 1.89 2.43 2rfbB1 ILE 116 HG12 0.12 -0.00 -0.00 -0.04 1.49 1.56 2rfbB1 ILE 116 HG13 0.13 0.06 -0.05 -0.04 1.21 1.32 2rfbB1 ILE 116 HG23 0.30 -0.02 -0.16 -0.04 0.93 1.00 2rfbB1 ILE 116 HD13 0.18 -0.02 -0.02 -0.04 0.88 0.98 2rfbB1 SER 117 H 0.16 0.47 -0.21 -0.55 8.46 8.34 2rfbB1 SER 117 HA -0.31 -0.05 0.40 -0.75 4.49 3.77 2rfbB1 SER 117 HB2 -0.36 -0.08 0.02 -0.04 3.95 3.48 2rfbB1 SER 117 HB3 -0.04 0.05 0.10 -0.04 3.93 4.00 2rfbB1 LYS 118 H 0.05 0.48 -0.31 -0.55 8.42 8.09 2rfbB1 LYS 118 HA -0.13 0.02 0.43 -0.75 4.32 3.89 2rfbB1 LYS 118 HB2 -0.15 0.01 0.11 -0.04 1.87 1.80 2rfbB1 LYS 118 HB3 0.02 0.21 0.16 -0.04 1.79 2.13 2rfbB1 LYS 118 HG2 -0.83 -0.04 -0.01 -0.04 1.46 0.54 2rfbB1 LYS 118 HG3 0.02 0.02 -0.20 -0.04 1.46 1.26 2rfbB1 LYS 118 HD2 -0.25 -0.01 0.01 -0.04 1.69 1.40 2rfbB1 LYS 118 HD3 -0.26 -0.01 0.09 -0.04 1.68 1.46 2rfbB1 LYS 118 HE2 -0.62 -0.00 0.01 -0.04 2.99 2.34 2rfbB1 LYS 118 HE3 -1.48 -0.00 0.01 -0.04 2.99 1.47 2rfbB1 ILE 119 H -0.10 0.41 -0.15 -0.55 8.25 7.86 2rfbB1 ILE 119 HA -0.13 0.08 0.47 -0.75 4.18 3.84 2rfbB1 ILE 119 HB -0.11 0.09 0.20 -0.04 1.89 2.03 2rfbB1 ILE 119 HG12 -1.20 0.00 0.04 -0.04 1.49 0.29 2rfbB1 ILE 119 HG13 -0.64 0.07 0.06 -0.04 1.21 0.66 2rfbB1 ILE 119 HG23 -0.15 -0.02 -0.10 -0.04 0.93 0.62 2rfbB1 ILE 119 HD13 -0.43 -0.02 -0.02 -0.04 0.88 0.37 2rfbB1 LEU 120 H -0.05 0.65 -0.03 -0.55 8.37 8.40 2rfbB1 LEU 120 HA -0.00 -0.03 0.47 -0.75 4.35 4.04 2rfbB1 LEU 120 HB2 -0.12 0.06 0.09 -0.04 1.64 1.62 2rfbB1 LEU 120 HB3 -0.04 -0.05 -0.02 -0.04 1.64 1.49 2rfbB1 LEU 120 HG 0.11 0.16 -0.06 -0.04 1.64 1.81 2rfbB1 LEU 120 HD13 0.20 -0.01 -0.08 -0.04 0.93 1.01 2rfbB1 LEU 120 HD23 0.17 -0.01 -0.03 -0.04 0.89 0.98 2rfbB1 GLY 121 H -0.10 0.42 -0.48 -0.55 8.43 7.72 2rfbB1 GLY 121 HA2 -0.08 0.12 0.22 -0.51 4.01 3.76 2rfbB1 GLY 121 HA3 -0.10 -0.11 0.81 -0.51 4.01 4.10 2rfbB1 ILE 122 H -0.19 0.47 0.08 -0.55 8.25 8.07 2rfbB1 ILE 122 HA -0.21 0.11 0.49 -0.75 4.18 3.82 2rfbB1 ILE 122 HB -0.39 0.01 0.08 -0.04 1.89 1.55 2rfbB1 ILE 122 HG12 -0.40 -0.02 0.02 -0.04 1.49 1.05 2rfbB1 ILE 122 HG13 -1.44 -0.04 -0.01 -0.04 1.21 -0.31 2rfbB1 ILE 122 HG23 -0.35 0.01 -0.21 -0.04 0.93 0.34 2rfbB1 ILE 122 HD13 -0.24 0.01 -0.11 -0.04 0.88 0.50 2rfbB1 PRO 123 HA -0.07 0.07 0.42 -0.51 4.44 4.35 2rfbB1 PRO 123 HB2 -0.05 -0.12 0.05 -0.04 2.28 2.12 2rfbB1 PRO 123 HB3 -0.05 0.06 0.11 -0.04 2.02 2.10 2rfbB1 PRO 123 HG2 -0.08 0.03 0.08 -0.04 2.03 2.03 2rfbB1 PRO 123 HG3 -0.08 0.13 0.11 -0.04 2.03 2.15 2rfbB1 PRO 123 HD2 -0.12 0.01 0.18 -0.04 3.68 3.71 2rfbB1 PRO 123 HD3 -0.14 0.32 0.34 -0.04 3.65 4.13 2rfbB1 ASP 124 H -0.04 0.19 0.19 -0.55 8.40 8.19 2rfbB1 ASP 124 HA -0.01 0.12 0.32 -0.75 4.63 4.31 2rfbB1 ASP 124 HB2 -0.00 -0.01 0.07 -0.04 2.71 2.72 2rfbB1 ASP 124 HB3 0.02 0.04 0.09 -0.04 2.70 2.81 2rfbB1 SER 125 H -0.02 0.08 -0.32 -0.55 8.46 7.66 2rfbB1 SER 125 HA 0.01 0.14 0.51 -0.75 4.49 4.40 2rfbB1 SER 125 HB2 0.00 0.03 0.10 -0.04 3.95 4.05 2rfbB1 SER 125 HB3 -0.00 0.01 0.06 -0.04 3.93 3.95 2rfbB1 ASP 126 H -0.02 0.58 -0.32 -0.55 8.40 8.09 2rfbB1 ASP 126 HA 0.01 0.14 0.76 -0.75 4.63 4.78 2rfbB1 ASP 126 HB2 -0.05 0.25 0.05 -0.04 2.71 2.93 2rfbB1 ASP 126 HB3 0.00 -0.10 0.06 -0.04 2.70 2.63 2rfbB1 MET 127 H 0.04 0.40 -0.34 -0.55 8.47 8.02 2rfbB1 MET 127 HA 0.17 -0.02 0.13 -0.75 4.52 4.05 2rfbB1 MET 127 HB2 0.06 0.15 0.14 -0.04 2.15 2.45 2rfbB1 MET 127 HB3 0.08 0.06 0.03 -0.04 2.03 2.15 2rfbB1 MET 127 HG2 0.10 0.05 -0.01 -0.04 2.63 2.72 2rfbB1 MET 127 HG3 0.14 -0.08 -0.06 -0.04 2.56 2.53 2rfbB1 MET 127 HE3 -0.02 0.01 -0.12 -0.04 2.10 1.93 2rfbB1 PRO 128 HA 0.09 0.09 0.66 -0.51 4.44 4.76 2rfbB1 PRO 128 HB2 0.06 0.04 -0.06 -0.04 2.28 2.29 2rfbB1 PRO 128 HB3 0.06 0.03 0.08 -0.04 2.02 2.15 2rfbB1 PRO 128 HG2 0.04 0.08 0.01 -0.04 2.03 2.13 2rfbB1 PRO 128 HG3 0.05 0.05 0.01 -0.04 2.03 2.10 2rfbB1 PRO 128 HD2 0.05 0.18 -0.30 -0.04 3.68 3.57 2rfbB1 PRO 128 HD3 0.05 0.13 -0.03 -0.04 3.65 3.77 2rfbB1 LEU 129 H 0.09 0.39 -0.23 -0.55 8.37 8.07 2rfbB1 LEU 129 HA 0.10 0.06 0.60 -0.75 4.35 4.36 2rfbB1 LEU 129 HB2 0.04 -0.00 0.08 -0.04 1.64 1.71 2rfbB1 LEU 129 HB3 0.06 0.15 0.12 -0.04 1.64 1.93 2rfbB1 LEU 129 HG -0.03 -0.03 -0.13 -0.04 1.64 1.41 2rfbB1 LEU 129 HD13 0.01 -0.01 0.08 -0.04 0.93 0.97 2rfbB1 LEU 129 HD23 -0.07 -0.01 -0.12 -0.04 0.89 0.65 2rfbB1 PHE 130 H 0.26 0.50 -0.05 -0.55 8.34 8.51 2rfbB1 PHE 130 HA 0.24 0.02 0.42 -0.75 4.62 4.55 2rfbB1 PHE 130 HB2 0.07 0.03 -0.04 -0.04 3.15 3.16 2rfbB1 PHE 130 HB3 0.09 0.04 0.00 -0.04 3.06 3.15 2rfbB1 PHE 130 HD2 0.15 0.03 -0.11 -0.04 7.28 7.31 2rfbB1 PHE 130 HE2 0.25 0.06 -0.04 -0.04 7.38 7.60 2rfbB1 PHE 130 HZ 0.15 0.01 -0.11 -0.04 7.32 7.34 2rfbB1 LYS 131 H 0.21 0.75 0.01 -0.55 8.42 8.84 2rfbB1 LYS 131 HA -0.00 0.03 0.54 -0.75 4.32 4.14 2rfbB1 LYS 131 HB2 0.09 0.06 0.15 -0.04 1.87 2.12 2rfbB1 LYS 131 HB3 0.04 -0.02 -0.05 -0.04 1.79 1.72 2rfbB1 LYS 131 HG2 0.07 -0.02 -0.01 -0.04 1.46 1.46 2rfbB1 LYS 131 HG3 0.16 0.03 0.03 -0.04 1.46 1.63 2rfbB1 LYS 131 HD2 0.08 -0.00 -0.08 -0.04 1.69 1.64 2rfbB1 LYS 131 HD3 0.05 -0.01 -0.03 -0.04 1.68 1.65 2rfbB1 LYS 131 HE2 0.06 0.01 -0.05 -0.04 2.99 2.97 2rfbB1 LYS 131 HE3 0.10 -0.01 -0.07 -0.04 2.99 2.97 2rfbB1 LEU 132 H 0.10 0.39 -0.26 -0.55 8.37 8.06 2rfbB1 LEU 132 HA 0.05 -0.01 0.40 -0.75 4.35 4.03 2rfbB1 LEU 132 HB2 0.13 0.27 0.20 -0.04 1.64 2.19 2rfbB1 LEU 132 HB3 0.21 0.06 0.06 -0.04 1.64 1.93 2rfbB1 LEU 132 HG 0.30 -0.07 -0.02 -0.04 1.64 1.80 2rfbB1 LEU 132 HD13 0.05 -0.01 0.01 -0.04 0.93 0.94 2rfbB1 LEU 132 HD23 0.15 0.01 0.01 -0.04 0.89 1.02 2rfbB1 TRP 133 H 0.29 0.66 -0.13 -0.55 7.97 8.24 2rfbB1 TRP 133 HA 0.13 -0.04 0.33 -0.75 4.62 4.29 2rfbB1 TRP 133 HB2 0.01 0.11 0.09 -0.04 3.23 3.40 2rfbB1 TRP 133 HB3 -0.13 0.07 0.11 -0.04 3.23 3.24 2rfbB1 TRP 133 HD1 -0.07 -0.05 -0.09 -0.04 7.22 6.97 2rfbB1 TRP 133 HE1 -0.05 -0.03 0.02 -0.04 10.20 10.10 2rfbB1 TRP 133 HE3 -0.12 0.04 -0.08 -0.04 7.59 7.39 2rfbB1 TRP 133 HZ2 0.07 -0.01 -0.04 -0.04 7.44 7.41 2rfbB1 TRP 133 HZ3 0.22 0.01 -0.11 -0.04 7.13 7.22 2rfbB1 TRP 133 HH2 0.12 0.04 -0.05 -0.04 7.19 7.25 2rfbB1 SER 134 H -0.11 0.68 -0.16 -0.55 8.46 8.33 2rfbB1 SER 134 HA -0.46 -0.01 0.41 -0.75 4.49 3.67 2rfbB1 SER 134 HB2 -0.61 -0.01 0.10 -0.04 3.95 3.40 2rfbB1 SER 134 HB3 -0.26 0.13 0.22 -0.04 3.93 3.99 2rfbB1 ASP 135 H -0.09 0.66 -0.10 -0.55 8.40 8.32 2rfbB1 ASP 135 HA -0.12 -0.00 0.37 -0.75 4.63 4.13 2rfbB1 ASP 135 HB2 -0.15 0.17 0.14 -0.04 2.71 2.83 2rfbB1 ASP 135 HB3 -0.21 -0.22 0.02 -0.04 2.70 2.25 2rfbB1 TYR 136 H 0.03 0.46 -0.24 -0.55 8.29 7.99 2rfbB1 TYR 136 HA 0.01 0.16 0.48 -0.75 4.56 4.46 2rfbB1 TYR 136 HB2 0.08 0.18 0.17 -0.04 3.06 3.44 2rfbB1 TYR 136 HB3 0.33 -0.04 -0.04 -0.04 2.98 3.18 2rfbB1 TYR 136 HD2 0.14 0.14 -0.12 -0.04 7.15 7.27 2rfbB1 TYR 136 HE2 0.11 -0.08 -0.18 -0.04 6.85 6.66 2rfbB1 ILE 137 H -0.16 0.50 -0.04 -0.55 8.25 8.01 2rfbB1 ILE 137 HA -0.11 0.00 0.31 -0.75 4.18 3.62 2rfbB1 ILE 137 HB -0.72 0.22 0.19 -0.04 1.89 1.54 2rfbB1 ILE 137 HG12 -0.86 0.00 0.03 -0.04 1.49 0.62 2rfbB1 ILE 137 HG13 -0.91 -0.04 0.01 -0.04 1.21 0.23 2rfbB1 ILE 137 HG23 -0.48 -0.01 -0.08 -0.04 0.93 0.32 2rfbB1 ILE 137 HD13 0.03 -0.01 -0.01 -0.04 0.88 0.85 2rfbB1 ILE 138 H -0.16 0.54 -0.13 -0.55 8.25 7.96 2rfbB1 ILE 138 HA -0.12 0.17 0.91 -0.75 4.18 4.39 2rfbB1 ILE 138 HB -0.09 -0.06 0.16 -0.04 1.89 1.86 2rfbB1 ILE 138 HG12 -0.12 0.18 0.02 -0.04 1.49 1.54 2rfbB1 ILE 138 HG13 -0.09 -0.06 -0.30 -0.04 1.21 0.72 2rfbB1 ILE 138 HG23 -0.14 0.01 -0.06 -0.04 0.93 0.69 2rfbB1 ILE 138 HD13 -0.07 -0.03 -0.07 -0.04 0.88 0.66 2rfbB1 GLY 139 H -0.07 0.30 -0.43 -0.55 8.43 7.68 2rfbB1 GLY 139 HA2 -0.05 0.11 0.30 -0.51 4.01 3.86 2rfbB1 GLY 139 HA3 -0.06 0.04 0.57 -0.51 4.01 4.04 2rfbB1 ASN 140 H -0.09 0.11 -0.05 -0.55 8.53 7.96 2rfbB1 ASN 140 HA -0.06 0.05 0.65 -0.75 4.76 4.65 2rfbB1 ASN 140 HB2 -0.09 -0.00 0.19 -0.04 2.88 2.94 2rfbB1 ASN 140 HB3 -0.10 -0.08 0.03 -0.04 2.79 2.60 2rfbB1 ASN 140 HD21 -0.04 -0.01 -0.04 -0.04 7.03 6.90 2rfbB1 ASN 140 HD22 -0.06 0.02 -0.06 -0.04 7.74 7.59 2rfbB1 LYS 141 H -0.20 0.10 -0.15 -0.55 8.42 7.62 2rfbB1 LYS 141 HA -0.15 0.07 0.50 -0.75 4.32 3.99 2rfbB1 LYS 141 HB2 -0.96 -0.03 -0.21 -0.04 1.87 0.63 2rfbB1 LYS 141 HB3 -0.63 -0.06 -0.10 -0.04 1.79 0.96 2rfbB1 LYS 141 HG2 -0.23 -0.00 -0.07 -0.04 1.46 1.11 2rfbB1 LYS 141 HG3 -0.46 0.01 -0.05 -0.04 1.46 0.91 2rfbB1 LYS 141 HD2 -0.31 -0.04 -0.06 -0.04 1.69 1.24 2rfbB1 LYS 141 HD3 -0.16 0.03 -0.04 -0.04 1.68 1.47 2rfbB1 LYS 141 HE2 -0.10 0.02 -0.05 -0.04 2.99 2.81 2rfbB1 LYS 141 HE3 -0.10 -0.01 -0.03 -0.04 2.99 2.81 2rfbB1 ARG 142 H -0.02 0.25 0.11 -0.55 8.46 8.24 2rfbB1 ARG 142 HA 0.14 0.08 0.40 -0.75 4.34 4.20 2rfbB1 ARG 142 HB2 0.02 -0.02 0.08 -0.04 1.90 1.94 2rfbB1 ARG 142 HB3 0.00 0.21 -0.10 -0.04 1.80 1.87 2rfbB1 ARG 142 HG2 0.02 -0.07 0.17 -0.04 1.67 1.75 2rfbB1 ARG 142 HG3 0.02 -0.04 -0.06 -0.04 1.67 1.55 2rfbB1 ARG 142 HD2 -0.00 0.00 -0.01 -0.04 3.22 3.17 2rfbB1 ARG 142 HD3 -0.01 0.14 -0.02 -0.04 3.22 3.29 2rfbB1 ASP 143 H 0.22 0.28 0.13 -0.55 8.40 8.48 2rfbB1 ASP 143 HA 0.12 0.24 0.89 -0.75 4.63 5.12 2rfbB1 ASP 143 HB2 0.68 0.05 -0.21 -0.04 2.71 3.19 2rfbB1 ASP 143 HB3 0.24 -0.84 -0.03 -0.04 2.70 2.03 2rfbB1 GLU 144 H 0.09 0.24 0.17 -0.55 8.60 8.55 2rfbB1 GLU 144 HA 0.07 0.16 0.70 -0.75 4.29 4.46 2rfbB1 GLU 144 HB2 0.05 0.02 0.04 -0.04 2.09 2.15 2rfbB1 GLU 144 HB3 0.04 0.04 0.13 -0.04 1.99 2.16 2rfbB1 GLU 144 HG2 0.04 0.05 0.07 -0.04 2.34 2.45 2rfbB1 GLU 144 HG3 0.05 -0.02 0.13 -0.04 2.34 2.45 2rfbB1 ASN 145 H 0.15 0.07 -0.28 -0.55 8.53 7.91 2rfbB1 ASN 145 HA 0.05 0.15 0.32 -0.75 4.76 4.52 2rfbB1 ASN 145 HB2 0.25 0.04 -0.02 -0.04 2.88 3.11 2rfbB1 ASN 145 HB3 0.13 0.01 0.11 -0.04 2.79 3.00 2rfbB1 ASN 145 HD21 0.06 0.06 -0.01 -0.04 7.03 7.10 2rfbB1 ASN 145 HD22 0.14 0.03 -0.01 -0.04 7.74 7.86 2rfbB1 PHE 146 H 0.08 0.28 -0.57 -0.55 8.34 7.58 2rfbB1 PHE 146 HA -1.01 0.09 0.30 -0.75 4.62 3.25 2rfbB1 PHE 146 HB2 -0.23 0.04 0.04 -0.04 3.15 2.96 2rfbB1 PHE 146 HB3 -0.10 0.04 0.07 -0.04 3.06 3.03 2rfbB1 PHE 146 HD2 -0.12 -0.02 -0.07 -0.04 7.28 7.02 2rfbB1 PHE 146 HE2 -0.00 0.03 -0.07 -0.04 7.38 7.29 2rfbB1 PHE 146 HZ 0.05 0.03 -0.05 -0.04 7.32 7.31 2rfbB1 ASN 147 H 0.06 0.20 -0.09 -0.55 8.53 8.15 2rfbB1 ASN 147 HA -0.31 0.08 0.31 -0.75 4.76 4.09 2rfbB1 ASN 147 HB2 0.08 0.05 0.13 -0.04 2.88 3.10 2rfbB1 ASN 147 HB3 0.03 0.03 -0.03 -0.04 2.79 2.78 2rfbB1 ASN 147 HD21 0.16 0.05 -0.01 -0.04 7.03 7.19 2rfbB1 ASN 147 HD22 0.32 -0.05 -0.01 -0.04 7.74 7.95 2rfbB1 TYR 148 H 0.08 0.12 -0.13 -0.55 8.29 7.82 2rfbB1 TYR 148 HA -0.07 0.06 0.49 -0.75 4.56 4.29 2rfbB1 TYR 148 HB2 -0.03 0.00 0.08 -0.04 3.06 3.07 2rfbB1 TYR 148 HB3 -0.05 0.07 0.04 -0.04 2.98 3.00 2rfbB1 TYR 148 HD2 -0.01 0.01 -0.09 -0.04 7.15 7.02 2rfbB1 TYR 148 HE2 -0.00 0.02 -0.04 -0.04 6.85 6.79 2rfbB1 VAL 149 H -0.07 0.44 -0.23 -0.55 8.24 7.83 2rfbB1 VAL 149 HA -0.08 0.04 0.38 -0.75 4.13 3.71 2rfbB1 VAL 149 HB -0.23 0.11 0.15 -0.04 2.12 2.11 2rfbB1 VAL 149 HG13 0.28 0.00 -0.23 -0.04 0.97 0.98 2rfbB1 VAL 149 HG23 0.26 0.01 0.00 -0.04 0.95 1.18 2rfbB1 ASN 150 H -0.40 0.72 0.02 -0.55 8.53 8.33 2rfbB1 ASN 150 HA -0.03 0.00 0.42 -0.75 4.76 4.40 2rfbB1 ASN 150 HB2 -0.91 0.02 0.09 -0.04 2.88 2.04 2rfbB1 ASN 150 HB3 -0.66 0.06 0.13 -0.04 2.79 2.28 2rfbB1 ASN 150 HD21 0.07 -0.02 -0.09 -0.04 7.03 6.95 2rfbB1 ASN 150 HD22 -0.12 0.02 -0.12 -0.04 7.74 7.49 2rfbB1 ASN 151 H -0.23 0.71 -0.09 -0.55 8.53 8.37 2rfbB1 ASN 151 HA -0.13 0.00 0.47 -0.75 4.76 4.35 2rfbB1 ASN 151 HB2 -0.16 0.09 0.10 -0.04 2.88 2.87 2rfbB1 ASN 151 HB3 -0.12 -0.03 0.01 -0.04 2.79 2.60 2rfbB1 ASN 151 HD21 -0.02 -0.03 -0.04 -0.04 7.03 6.89 2rfbB1 ASN 151 HD22 -0.04 -0.01 -0.07 -0.04 7.74 7.58 2rfbB1 ARG 152 H -0.31 0.48 -0.23 -0.55 8.46 7.85 2rfbB1 ARG 152 HA -0.22 0.06 0.68 -0.75 4.34 4.11 2rfbB1 ARG 152 HB2 -0.38 0.18 0.22 -0.04 1.90 1.88 2rfbB1 ARG 152 HB3 -0.21 -0.04 0.01 -0.04 1.80 1.52 2rfbB1 ARG 152 HG2 -0.23 -0.02 0.06 -0.04 1.67 1.44 2rfbB1 ARG 152 HG3 -0.59 0.01 0.03 -0.04 1.67 1.08 2rfbB1 ARG 152 HD2 -0.17 -0.01 -0.01 -0.04 3.22 2.99 2rfbB1 ARG 152 HD3 -0.12 -0.01 -0.01 -0.04 3.22 3.04 2rfbB1 MET 153 H -0.32 0.55 -0.06 -0.55 8.47 8.10 2rfbB1 MET 153 HA -0.29 0.03 0.22 -0.75 4.52 3.72 2rfbB1 MET 153 HB2 -0.42 0.07 0.07 -0.04 2.15 1.84 2rfbB1 MET 153 HB3 -1.27 0.05 0.10 -0.04 2.03 0.87 2rfbB1 MET 153 HG2 -1.05 -0.01 -0.06 -0.04 2.63 1.47 2rfbB1 MET 153 HG3 -1.07 -0.02 -0.12 -0.04 2.56 1.32 2rfbB1 MET 153 HE3 -0.12 -0.01 -0.02 -0.04 2.10 1.91 2rfbB1 VAL 154 H -0.35 0.63 -0.05 -0.55 8.24 7.92 2rfbB1 VAL 154 HA -0.25 0.04 0.50 -0.75 4.13 3.66 2rfbB1 VAL 154 HB -0.11 0.02 0.15 -0.04 2.12 2.14 2rfbB1 VAL 154 HG13 -0.01 -0.01 -0.12 -0.04 0.97 0.79 2rfbB1 VAL 154 HG23 -0.05 0.07 0.06 -0.04 0.95 1.00 2rfbB1 SER 155 H -0.14 0.43 -0.13 -0.55 8.46 8.08 2rfbB1 SER 155 HA -0.05 -0.00 0.37 -0.75 4.49 4.05 2rfbB1 SER 155 HB2 -0.06 -0.04 0.08 -0.04 3.95 3.88 2rfbB1 SER 155 HB3 -0.07 -0.04 0.14 -0.04 3.93 3.92 2rfbB1 ARG 156 H -0.15 0.37 -0.57 -0.55 8.46 7.55 2rfbB1 ARG 156 HA -0.08 0.02 0.63 -0.75 4.34 4.16 2rfbB1 ARG 156 HB2 -0.14 0.20 0.12 -0.04 1.90 2.04 2rfbB1 ARG 156 HB3 -0.16 0.13 0.11 -0.04 1.80 1.84 2rfbB1 ARG 156 HG2 -0.08 -0.04 -0.01 -0.04 1.67 1.49 2rfbB1 ARG 156 HG3 -0.08 0.00 0.04 -0.04 1.67 1.59 2rfbB1 ARG 156 HD2 -0.07 0.03 0.02 -0.04 3.22 3.15 2rfbB1 ARG 156 HD3 -0.07 -0.02 -0.01 -0.04 3.22 3.08 2rfbB1 LEU 157 H -0.16 0.57 0.08 -0.55 8.37 8.32 2rfbB1 LEU 157 HA -0.13 -0.03 0.36 -0.75 4.35 3.80 2rfbB1 LEU 157 HB2 -0.03 0.08 0.22 -0.04 1.64 1.87 2rfbB1 LEU 157 HB3 0.07 -0.04 0.02 -0.04 1.64 1.65 2rfbB1 LEU 157 HG -0.31 0.20 0.08 -0.04 1.64 1.57 2rfbB1 LEU 157 HD13 -0.14 -0.03 -0.03 -0.04 0.93 0.69 2rfbB1 LEU 157 HD23 -0.10 -0.02 -0.03 -0.04 0.89 0.70 2rfbB1 LEU 158 H 0.02 0.53 -0.31 -0.55 8.37 8.07 2rfbB1 LEU 158 HA 0.25 0.03 0.40 -0.75 4.35 4.28 2rfbB1 LEU 158 HB2 0.01 0.18 0.10 -0.04 1.64 1.88 2rfbB1 LEU 158 HB3 0.03 -0.03 0.02 -0.04 1.64 1.62 2rfbB1 LEU 158 HG 0.01 0.14 -0.11 -0.04 1.64 1.64 2rfbB1 LEU 158 HD13 -0.01 -0.02 -0.03 -0.04 0.93 0.84 2rfbB1 LEU 158 HD23 0.05 -0.03 -0.07 -0.04 0.89 0.81 2rfbB1 GLU 159 H -0.01 0.37 -0.19 -0.55 8.60 8.22 2rfbB1 GLU 159 HA 0.00 0.03 0.54 -0.75 4.29 4.11 2rfbB1 GLU 159 HB2 -0.04 0.18 0.25 -0.04 2.09 2.44 2rfbB1 GLU 159 HB3 -0.03 -0.05 0.00 -0.04 1.99 1.87 2rfbB1 GLU 159 HG2 -0.02 -0.04 0.05 -0.04 2.34 2.29 2rfbB1 GLU 159 HG3 -0.02 0.03 0.09 -0.04 2.34 2.40 2rfbB1 ILE 160 H -0.06 0.56 -0.04 -0.55 8.25 8.16 2rfbB1 ILE 160 HA -0.09 -0.03 0.29 -0.75 4.18 3.60 2rfbB1 ILE 160 HB -0.22 0.11 0.09 -0.04 1.89 1.82 2rfbB1 ILE 160 HG12 -0.11 -0.05 0.04 -0.04 1.49 1.33 2rfbB1 ILE 160 HG13 -0.09 -0.03 0.05 -0.04 1.21 1.10 2rfbB1 ILE 160 HG23 -0.22 -0.02 -0.05 -0.04 0.93 0.61 2rfbB1 ILE 160 HD13 -0.13 -0.02 -0.14 -0.04 0.88 0.56 2rfbB1 PHE 161 H 0.06 0.28 -0.60 -0.55 8.34 7.53 2rfbB1 PHE 161 HA -0.04 0.04 0.56 -0.75 4.62 4.43 2rfbB1 PHE 161 HB2 -0.03 0.07 0.19 -0.04 3.15 3.34 2rfbB1 PHE 161 HB3 -0.02 -0.03 0.00 -0.04 3.06 2.97 2rfbB1 PHE 161 HD2 -0.03 0.02 -0.10 -0.04 7.28 7.13 2rfbB1 PHE 161 HE2 -0.01 -0.01 -0.06 -0.04 7.38 7.25 2rfbB1 PHE 161 HZ 0.02 -0.04 -0.09 -0.04 7.32 7.17 2rfbB1 LYS 162 H 0.08 0.36 -0.09 -0.55 8.42 8.22 2rfbB1 LYS 162 HA 0.05 0.03 0.51 -0.75 4.32 4.15 2rfbB1 LYS 162 HB2 0.02 0.10 0.16 -0.04 1.87 2.11 2rfbB1 LYS 162 HB3 0.01 -0.10 0.13 -0.04 1.79 1.79 2rfbB1 LYS 162 HG2 0.02 -0.05 0.07 -0.04 1.46 1.46 2rfbB1 LYS 162 HG3 0.04 0.23 0.13 -0.04 1.46 1.82 2rfbB1 LYS 162 HD2 0.00 -0.02 0.04 -0.04 1.69 1.67 2rfbB1 LYS 162 HD3 0.00 -0.04 0.04 -0.04 1.68 1.64 2rfbB1 LYS 162 HE2 -0.00 -0.06 -0.00 -0.04 2.99 2.89 2rfbB1 LYS 162 HE3 0.00 -0.03 -0.00 -0.04 2.99 2.92 2rfbB1 SER 163 H -0.01 0.17 -0.52 -0.55 8.46 7.56 2rfbB1 SER 163 HA -0.02 0.05 0.66 -0.75 4.49 4.44 2rfbB1 SER 163 HB2 -0.04 -0.10 0.11 -0.04 3.95 3.88 2rfbB1 SER 163 HB3 -0.03 -0.05 0.00 -0.04 3.93 3.81 2rfbB1 ASP 164 H -0.04 0.11 0.12 -0.55 8.40 8.05 2rfbB1 ASP 164 HA -0.05 0.23 0.61 -0.75 4.63 4.67 2rfbB1 ASP 164 HB2 -0.04 -0.08 0.15 -0.04 2.71 2.69 2rfbB1 ASP 164 HB3 -0.07 0.01 0.03 -0.04 2.70 2.63 2rfbB1 SER 165 H -0.09 0.18 0.05 -0.55 8.46 8.05 2rfbB1 SER 165 HA -0.06 0.19 0.93 -0.75 4.49 4.79 2rfbB1 SER 165 HB2 -0.13 0.12 0.06 -0.04 3.95 3.97 2rfbB1 SER 165 HB3 -0.13 -0.13 0.10 -0.04 3.93 3.73 2rfbB1 HIS 166 H 0.00 0.14 0.17 -0.55 8.41 8.18 2rfbB1 HIS 166 HA -0.08 0.31 1.08 -0.75 4.63 5.19 2rfbB1 HIS 166 HB2 -0.07 -0.03 0.02 -0.04 3.26 3.14 2rfbB1 HIS 166 HB3 -0.08 0.01 0.12 -0.04 3.20 3.21 2rfbB1 HIS 166 HD2 -0.05 -0.02 -0.01 -0.04 6.97 6.84 2rfbB1 HIS 166 HE1 -0.04 -0.01 0.03 -0.04 7.75 7.68 2rfbB1 GLY 167 H -0.06 -0.03 -0.10 -0.55 8.43 7.70 2rfbB1 GLY 167 HA2 -0.03 0.33 0.98 -0.51 4.01 4.78 2rfbB1 GLY 167 HA3 -0.06 0.02 -0.15 -0.51 4.01 3.32 2rfbB1 ILE 168 H -0.07 0.63 0.33 -0.55 8.25 8.60 2rfbB1 ILE 168 HA -0.16 0.05 0.32 -0.75 4.18 3.64 2rfbB1 ILE 168 HB 0.03 0.02 0.10 -0.04 1.89 1.99 2rfbB1 ILE 168 HG12 0.29 -0.03 -0.03 -0.04 1.49 1.68 2rfbB1 ILE 168 HG13 0.08 -0.01 0.03 -0.04 1.21 1.27 2rfbB1 ILE 168 HG23 0.09 -0.01 -0.14 -0.04 0.93 0.82 2rfbB1 ILE 168 HD13 -0.12 0.02 -0.02 -0.04 0.88 0.72 2rfbB1 ILE 169 H -0.10 0.60 -0.24 -0.55 8.25 7.95 2rfbB1 ILE 169 HA -0.08 0.02 0.37 -0.75 4.18 3.72 2rfbB1 ILE 169 HB -0.20 0.06 0.12 -0.04 1.89 1.82 2rfbB1 ILE 169 HG12 -0.39 -0.02 -0.03 -0.04 1.49 1.00 2rfbB1 ILE 169 HG13 -0.11 -0.06 0.00 -0.04 1.21 1.00 2rfbB1 ILE 169 HG23 -0.62 -0.00 -0.22 -0.04 0.93 0.05 2rfbB1 ILE 169 HD13 -0.22 -0.02 -0.22 -0.04 0.88 0.38 2rfbB1 ASN 170 H -0.12 0.16 -0.19 -0.55 8.53 7.84 2rfbB1 ASN 170 HA -0.04 0.08 0.49 -0.75 4.76 4.54 2rfbB1 ASN 170 HB2 -0.11 -0.02 0.04 -0.04 2.88 2.74 2rfbB1 ASN 170 HB3 -0.13 0.09 0.03 -0.04 2.79 2.75 2rfbB1 ASN 170 HD21 -0.09 -0.04 -0.06 -0.04 7.03 6.80 2rfbB1 ASN 170 HD22 -0.11 0.01 -0.20 -0.04 7.74 7.40 2rfbB1 VAL 171 H -0.14 0.29 -0.19 -0.55 8.24 7.65 2rfbB1 VAL 171 HA -0.06 0.03 0.31 -0.75 4.13 3.65 2rfbB1 VAL 171 HB -0.17 0.11 0.13 -0.04 2.12 2.14 2rfbB1 VAL 171 HG13 0.03 -0.00 -0.15 -0.04 0.97 0.80 2rfbB1 VAL 171 HG23 -0.57 0.00 -0.01 -0.04 0.95 0.33 2rfbB1 LEU 172 H -0.04 0.52 -0.18 -0.55 8.37 8.13 2rfbB1 LEU 172 HA -0.08 -0.02 0.37 -0.75 4.35 3.87 2rfbB1 LEU 172 HB2 0.18 0.14 0.15 -0.04 1.64 2.08 2rfbB1 LEU 172 HB3 0.09 -0.09 -0.02 -0.04 1.64 1.59 2rfbB1 LEU 172 HG -0.13 0.15 0.02 -0.04 1.64 1.64 2rfbB1 LEU 172 HD13 0.10 -0.05 -0.04 -0.04 0.93 0.90 2rfbB1 LEU 172 HD23 -0.59 -0.03 -0.02 -0.04 0.89 0.21 2rfbB1 ALA 173 H 0.15 0.50 -0.10 -0.55 8.40 8.40 2rfbB1 ALA 173 HA 0.06 -0.08 0.45 -0.75 4.34 4.01 2rfbB1 ALA 173 HB3 0.16 0.02 0.20 -0.04 1.41 1.75 2rfbB1 GLY 174 H 0.00 0.47 -0.27 -0.55 8.43 8.08 2rfbB1 GLY 174 HA2 -0.01 0.07 0.87 -0.51 4.01 4.43 2rfbB1 GLY 174 HA3 -0.01 -0.09 0.37 -0.51 4.01 3.77 2rfbB1 SER 175 H -0.03 0.41 -0.00 -0.55 8.46 8.29 2rfbB1 SER 175 HA -0.03 -0.01 0.55 -0.75 4.49 4.25 2rfbB1 SER 175 HB2 -0.05 -0.11 0.15 -0.04 3.95 3.90 2rfbB1 SER 175 HB3 -0.02 0.23 -0.01 -0.04 3.93 4.09 2rfbB1 SER 176 H -0.06 0.17 0.14 -0.55 8.46 8.17 2rfbB1 SER 176 HA -0.09 0.12 0.73 -0.75 4.49 4.50 2rfbB1 SER 176 HB2 -0.04 -0.03 -0.02 -0.04 3.95 3.82 2rfbB1 SER 176 HB3 -0.05 -0.26 0.22 -0.04 3.93 3.81 2rfbB1 LEU 177 H -0.05 0.29 0.26 -0.55 8.37 8.32 2rfbB1 LEU 177 HA -0.04 0.02 0.14 -0.75 4.35 3.72 2rfbB1 LEU 177 HB2 -0.08 0.57 0.81 -0.04 1.64 2.90 2rfbB1 LEU 177 HB3 -0.05 0.00 0.15 -0.04 1.64 1.70 2rfbB1 LEU 177 HG -0.02 -0.34 0.19 -0.04 1.64 1.42 2rfbB1 LEU 177 HD13 -0.03 0.01 -0.00 -0.04 0.93 0.87 2rfbB1 LEU 177 HD23 -0.03 0.03 0.10 -0.04 0.89 0.95 2rfbB1 LYS 178 H -0.02 0.18 0.11 -0.55 8.42 8.14 2rfbB1 LYS 178 HA -0.00 0.02 0.32 -0.75 4.32 3.91 2rfbB1 LYS 178 HB2 0.00 -0.01 -0.07 -0.04 1.87 1.76 2rfbB1 LYS 178 HB3 0.01 0.07 -0.11 -0.04 1.79 1.72 2rfbB1 LYS 178 HG2 0.01 -0.01 0.10 -0.04 1.46 1.52 2rfbB1 LYS 178 HG3 0.02 0.02 0.02 -0.04 1.46 1.47 2rfbB1 LYS 178 HD2 0.03 -0.02 -0.02 -0.04 1.69 1.64 2rfbB1 LYS 178 HD3 0.02 0.04 0.03 -0.04 1.68 1.72 2rfbB1 LYS 178 HE2 0.01 -0.00 0.05 -0.04 2.99 3.01 2rfbB1 LYS 178 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 2rfbB1 ASN 179 H -0.01 0.61 0.35 -0.55 8.53 8.93 2rfbB1 ASN 179 HA -0.01 -0.07 0.38 -0.75 4.76 4.31 2rfbB1 ASN 179 HB2 0.00 0.37 0.76 -0.04 2.88 3.98 2rfbB1 ASN 179 HB3 0.00 -0.07 0.28 -0.04 2.79 2.96 2rfbB1 ASN 179 HD21 -0.00 -0.02 -0.02 -0.04 7.03 6.95 2rfbB1 ASN 179 HD22 -0.00 -0.01 0.03 -0.04 7.74 7.72 2rfbB1 ARG 180 H -0.02 0.17 0.16 -0.55 8.46 8.22 2rfbB1 ARG 180 HA -0.00 -0.02 0.50 -0.75 4.34 4.07 2rfbB1 ARG 180 HB2 0.01 0.27 -0.23 -0.04 1.90 1.91 2rfbB1 ARG 180 HB3 -0.00 -0.07 -0.19 -0.04 1.80 1.50 2rfbB1 ARG 180 HG2 0.01 0.21 -0.19 -0.04 1.67 1.67 2rfbB1 ARG 180 HG3 0.02 -0.02 0.05 -0.04 1.67 1.67 2rfbB1 ARG 180 HD2 0.05 -0.00 -0.07 -0.04 3.22 3.15 2rfbB1 ARG 180 HD3 0.05 -0.03 -0.16 -0.04 3.22 3.04 2rfbB1 LYS 181 H -0.02 0.10 0.14 -0.55 8.42 8.09 2rfbB1 LYS 181 HA -0.04 0.14 0.81 -0.75 4.32 4.48 2rfbB1 LYS 181 HB2 -0.02 -0.07 0.13 -0.04 1.87 1.87 2rfbB1 LYS 181 HB3 -0.03 0.12 -0.01 -0.04 1.79 1.83 2rfbB1 LYS 181 HG2 -0.03 -0.09 0.04 -0.04 1.46 1.34 2rfbB1 LYS 181 HG3 -0.02 -0.02 0.05 -0.04 1.46 1.42 2rfbB1 LYS 181 HD2 -0.04 0.05 0.10 -0.04 1.69 1.76 2rfbB1 LYS 181 HD3 -0.04 0.14 0.19 -0.04 1.68 1.93 2rfbB1 LYS 181 HE2 -0.03 -0.10 -0.03 -0.04 2.99 2.79 2rfbB1 LYS 181 HE3 -0.03 -0.05 0.04 -0.04 2.99 2.91 2rfbB1 LEU 182 H -0.06 0.31 0.23 -0.55 8.37 8.30 2rfbB1 LEU 182 HA -0.01 -0.02 0.45 -0.75 4.35 4.02 2rfbB1 LEU 182 HB2 -0.06 0.14 0.21 -0.04 1.64 1.89 2rfbB1 LEU 182 HB3 -0.01 0.02 -0.04 -0.04 1.64 1.57 2rfbB1 LEU 182 HG -0.17 -0.02 -0.01 -0.04 1.64 1.40 2rfbB1 LEU 182 HD13 -0.12 0.06 -0.02 -0.04 0.93 0.82 2rfbB1 LEU 182 HD23 -0.00 -0.03 -0.08 -0.04 0.89 0.73 2rfbB1 THR 183 H 0.05 0.12 0.19 -0.55 8.28 8.09 2rfbB1 THR 183 HA -0.00 0.12 0.55 -0.75 4.39 4.30 2rfbB1 THR 183 HB 0.07 0.08 0.17 -0.04 4.32 4.60 2rfbB1 THR 183 HG23 0.05 -0.17 -0.02 -0.04 1.22 1.03 2rfbB1 MET 184 H -0.02 0.16 0.19 -0.55 8.47 8.25 2rfbB1 MET 184 HA -0.13 0.22 0.53 -0.75 4.52 4.39 2rfbB1 MET 184 HB2 -0.07 0.09 0.14 -0.04 2.15 2.27 2rfbB1 MET 184 HB3 -0.03 -0.06 0.12 -0.04 2.03 2.03 2rfbB1 MET 184 HG2 -0.06 0.04 -0.00 -0.04 2.63 2.57 2rfbB1 MET 184 HG3 -0.03 -0.04 -0.16 -0.04 2.56 2.28 2rfbB1 MET 184 HE3 -0.25 0.03 0.02 -0.04 2.10 1.85 2rfbB1 ASP 185 H 0.03 0.12 0.01 -0.55 8.40 8.00 2rfbB1 ASP 185 HA 0.07 0.11 0.53 -0.75 4.63 4.59 2rfbB1 ASP 185 HB2 0.05 0.01 0.09 -0.04 2.71 2.82 2rfbB1 ASP 185 HB3 0.06 0.05 -0.01 -0.04 2.70 2.77 2rfbB1 GLU 186 H 0.08 0.03 -0.63 -0.55 8.60 7.54 2rfbB1 GLU 186 HA 0.19 0.10 0.35 -0.75 4.29 4.18 2rfbB1 GLU 186 HB2 0.14 0.07 0.01 -0.04 2.09 2.28 2rfbB1 GLU 186 HB3 0.31 0.07 -0.08 -0.04 1.99 2.24 2rfbB1 GLU 186 HG2 0.32 0.06 -0.02 -0.04 2.34 2.66 2rfbB1 GLU 186 HG3 0.15 -0.04 -0.06 -0.04 2.34 2.35 2rfbB1 LYS 187 H 0.06 0.37 -0.18 -0.55 8.42 8.11 2rfbB1 LYS 187 HA 0.19 0.08 0.53 -0.75 4.32 4.36 2rfbB1 LYS 187 HB2 -0.19 0.05 0.14 -0.04 1.87 1.83 2rfbB1 LYS 187 HB3 0.06 -0.00 -0.00 -0.04 1.79 1.80 2rfbB1 LYS 187 HG2 -0.02 -0.00 -0.03 -0.04 1.46 1.37 2rfbB1 LYS 187 HG3 -0.04 0.05 -0.03 -0.04 1.46 1.40 2rfbB1 LYS 187 HD2 -0.58 -0.04 -0.07 -0.04 1.69 0.95 2rfbB1 LYS 187 HD3 -0.15 0.19 -0.07 -0.04 1.68 1.60 2rfbB1 LYS 187 HE2 -0.15 0.20 -0.25 -0.04 2.99 2.74 2rfbB1 LYS 187 HE3 -0.40 -0.14 -0.02 -0.04 2.99 2.38 2rfbB1 ILE 188 H 0.14 0.41 -0.22 -0.55 8.25 8.02 2rfbB1 ILE 188 HA 0.30 0.04 0.35 -0.75 4.18 4.12 2rfbB1 ILE 188 HB 0.16 0.06 0.15 -0.04 1.89 2.21 2rfbB1 ILE 188 HG12 0.16 -0.03 0.01 -0.04 1.49 1.59 2rfbB1 ILE 188 HG13 0.16 0.04 0.03 -0.04 1.21 1.40 2rfbB1 ILE 188 HG23 0.26 -0.02 -0.08 -0.04 0.93 1.06 2rfbB1 ILE 188 HD13 0.06 -0.02 -0.09 -0.04 0.88 0.80 2rfbB1 LYS 189 H 0.19 0.58 -0.16 -0.55 8.42 8.47 2rfbB1 LYS 189 HA 0.17 0.00 0.47 -0.75 4.32 4.21 2rfbB1 LYS 189 HB2 0.14 0.13 0.11 -0.04 1.87 2.21 2rfbB1 LYS 189 HB3 0.08 0.00 0.04 -0.04 1.79 1.87 2rfbB1 LYS 189 HG2 0.10 -0.02 0.04 -0.04 1.46 1.54 2rfbB1 LYS 189 HG3 0.14 -0.04 -0.01 -0.04 1.46 1.50 2rfbB1 LYS 189 HD2 0.08 -0.00 -0.15 -0.04 1.69 1.58 2rfbB1 LYS 189 HD3 0.05 0.09 -0.50 -0.04 1.68 1.28 2rfbB1 LYS 189 HE2 0.05 -0.11 -0.03 -0.04 2.99 2.85 2rfbB1 LYS 189 HE3 0.10 0.01 -0.04 -0.04 2.99 3.02 2rfbB1 TYR 190 H 0.36 0.49 -0.31 -0.55 8.29 8.28 2rfbB1 TYR 190 HA 0.19 -0.03 0.52 -0.75 4.56 4.49 2rfbB1 TYR 190 HB2 0.26 0.20 0.18 -0.04 3.06 3.66 2rfbB1 TYR 190 HB3 0.23 0.10 0.09 -0.04 2.98 3.36 2rfbB1 TYR 190 HD2 0.32 -0.01 -0.13 -0.04 7.15 7.29 2rfbB1 TYR 190 HE2 0.23 0.04 0.01 -0.04 6.85 7.08 2rfbB1 ILE 191 H 0.37 0.52 -0.17 -0.55 8.25 8.42 2rfbB1 ILE 191 HA 0.32 -0.01 0.39 -0.75 4.18 4.12 2rfbB1 ILE 191 HB 0.35 0.18 0.20 -0.04 1.89 2.58 2rfbB1 ILE 191 HG12 0.19 -0.08 -0.02 -0.04 1.49 1.54 2rfbB1 ILE 191 HG13 0.28 0.03 0.02 -0.04 1.21 1.50 2rfbB1 ILE 191 HG23 0.38 -0.03 -0.12 -0.04 0.93 1.12 2rfbB1 ILE 191 HD13 0.24 -0.00 -0.09 -0.04 0.88 0.98 2rfbB1 MET 192 H 0.26 0.60 -0.03 -0.55 8.47 8.75 2rfbB1 MET 192 HA 0.01 -0.05 0.36 -0.75 4.52 4.09 2rfbB1 MET 192 HB2 0.09 0.13 0.16 -0.04 2.15 2.49 2rfbB1 MET 192 HB3 -0.04 -0.01 0.05 -0.04 2.03 1.99 2rfbB1 MET 192 HG2 0.01 -0.07 0.01 -0.04 2.63 2.54 2rfbB1 MET 192 HG3 0.39 0.25 0.02 -0.04 2.56 3.18 2rfbB1 MET 192 HE3 -0.02 0.00 0.00 -0.04 2.10 2.05 2rfbB1 LEU 193 H 0.05 0.47 -0.43 -0.55 8.37 7.91 2rfbB1 LEU 193 HA -0.10 0.02 0.47 -0.75 4.35 3.98 2rfbB1 LEU 193 HB2 -0.19 0.12 0.07 -0.04 1.64 1.59 2rfbB1 LEU 193 HB3 -0.20 0.16 0.18 -0.04 1.64 1.74 2rfbB1 LEU 193 HG -0.34 -0.06 -0.18 -0.04 1.64 1.01 2rfbB1 LEU 193 HD13 -0.25 0.03 0.11 -0.04 0.93 0.77 2rfbB1 LEU 193 HD23 -1.05 0.00 0.07 -0.04 0.89 -0.13 2rfbB1 LEU 194 H 0.10 0.48 -0.06 -0.55 8.37 8.34 2rfbB1 LEU 194 HA -0.01 -0.00 0.56 -0.75 4.35 4.14 2rfbB1 LEU 194 HB2 0.20 0.09 0.08 -0.04 1.64 1.97 2rfbB1 LEU 194 HB3 0.18 -0.06 0.05 -0.04 1.64 1.76 2rfbB1 LEU 194 HG 0.23 0.22 0.09 -0.04 1.64 2.14 2rfbB1 LEU 194 HD13 0.43 -0.01 -0.05 -0.04 0.93 1.25 2rfbB1 LEU 194 HD23 0.02 -0.02 -0.05 -0.04 0.89 0.81 2rfbB1 ILE 195 H 0.06 0.43 -0.30 -0.55 8.25 7.90 2rfbB1 ILE 195 HA 0.08 0.02 0.36 -0.75 4.18 3.88 2rfbB1 ILE 195 HB -0.08 0.14 0.15 -0.04 1.89 2.05 2rfbB1 ILE 195 HG12 0.32 -0.07 -0.06 -0.04 1.49 1.64 2rfbB1 ILE 195 HG13 0.22 0.10 -0.02 -0.04 1.21 1.47 2rfbB1 ILE 195 HG23 -0.15 -0.02 -0.09 -0.04 0.93 0.63 2rfbB1 ILE 195 HD13 0.27 -0.02 -0.13 -0.04 0.88 0.96 2rfbB1 ILE 196 H -0.07 0.56 0.02 -0.55 8.25 8.22 2rfbB1 ILE 196 HA -0.09 -0.03 0.33 -0.75 4.18 3.64 2rfbB1 ILE 196 HB -0.10 0.06 0.14 -0.04 1.89 1.95 2rfbB1 ILE 196 HG12 -0.14 0.06 -0.07 -0.04 1.49 1.30 2rfbB1 ILE 196 HG13 -0.15 -0.01 0.09 -0.04 1.21 1.10 2rfbB1 ILE 196 HG23 -0.10 -0.01 -0.06 -0.04 0.93 0.72 2rfbB1 ILE 196 HD13 -0.12 -0.02 -0.05 -0.04 0.88 0.66 2rfbB1 GLY 197 H -0.06 0.51 -0.16 -0.55 8.43 8.17 2rfbB1 GLY 197 HA2 -0.05 0.03 0.39 -0.51 4.01 3.88 2rfbB1 GLY 197 HA3 -0.05 0.04 0.30 -0.51 4.01 3.79 2rfbB1 GLY 198 H 0.00 0.38 -0.38 -0.55 8.43 7.89 2rfbB1 GLY 198 HA2 0.05 0.03 0.54 -0.51 4.01 4.12 2rfbB1 GLY 198 HA3 0.05 0.07 0.30 -0.51 4.01 3.92 2rfbB1 ASN 199 H -0.01 0.60 0.02 -0.55 8.53 8.60 2rfbB1 ASN 199 HA 0.01 0.03 0.19 -0.75 4.76 4.23 2rfbB1 ASN 199 HB2 -0.04 0.07 0.15 -0.04 2.88 3.02 2rfbB1 ASN 199 HB3 -0.03 -0.02 -0.02 -0.04 2.79 2.67 2rfbB1 ASN 199 HD21 -0.01 -0.04 -0.05 -0.04 7.03 6.89 2rfbB1 ASN 199 HD22 -0.07 -0.01 -0.06 -0.04 7.74 7.55 2rfbB1 GLU 200 H -0.04 0.28 0.08 -0.55 8.60 8.38 2rfbB1 GLU 200 HA -0.02 0.03 0.31 -0.75 4.29 3.85 2rfbB1 GLU 200 HB2 -0.05 0.05 0.12 -0.04 2.09 2.17 2rfbB1 GLU 200 HB3 -0.05 0.07 0.02 -0.04 1.99 1.98 2rfbB1 GLU 200 HG2 -0.03 -0.06 -0.04 -0.04 2.34 2.17 2rfbB1 GLU 200 HG3 -0.04 -0.01 -0.01 -0.04 2.34 2.23 2rfbB1 THR 201 H -0.01 0.22 -0.38 -0.55 8.28 7.56 2rfbB1 THR 201 HA -0.01 0.06 0.37 -0.75 4.39 4.06 2rfbB1 THR 201 HB 0.04 -0.05 -0.01 -0.04 4.32 4.26 2rfbB1 THR 201 HG23 -0.01 -0.00 0.01 -0.04 1.22 1.18 2rfbB1 THR 202 H 0.03 0.46 -0.16 -0.55 8.28 8.07 2rfbB1 THR 202 HA 0.06 0.00 0.51 -0.75 4.39 4.21 2rfbB1 THR 202 HB 0.03 0.13 0.21 -0.04 4.32 4.65 2rfbB1 THR 202 HG23 0.05 -0.03 -0.01 -0.04 1.22 1.19 2rfbB1 THR 203 H 0.01 0.58 -0.01 -0.55 8.28 8.32 2rfbB1 THR 203 HA 0.02 0.06 0.46 -0.75 4.39 4.17 2rfbB1 THR 203 HB -0.00 0.06 0.08 -0.04 4.32 4.42 2rfbB1 THR 203 HG23 0.01 -0.06 -0.25 -0.04 1.22 0.87 2rfbB1 ASN 204 H 0.01 0.62 -0.23 -0.55 8.53 8.39 2rfbB1 ASN 204 HA 0.05 -0.11 0.57 -0.75 4.76 4.51 2rfbB1 ASN 204 HB2 -0.00 0.06 0.24 -0.04 2.88 3.14 2rfbB1 ASN 204 HB3 -0.00 0.24 0.12 -0.04 2.79 3.11 2rfbB1 ASN 204 HD21 -0.04 -0.09 -0.16 -0.04 7.03 6.69 2rfbB1 ASN 204 HD22 -0.04 0.02 -0.14 -0.04 7.74 7.54 2rfbB1 LEU 205 H 0.04 0.72 0.10 -0.55 8.37 8.68 2rfbB1 LEU 205 HA 0.07 0.10 0.53 -0.75 4.35 4.30 2rfbB1 LEU 205 HB2 0.04 0.03 0.16 -0.04 1.64 1.83 2rfbB1 LEU 205 HB3 0.07 0.09 0.21 -0.04 1.64 1.97 2rfbB1 LEU 205 HG 0.10 -0.04 -0.27 -0.04 1.64 1.39 2rfbB1 LEU 205 HD13 0.06 -0.00 -0.02 -0.04 0.93 0.92 2rfbB1 LEU 205 HD23 0.10 -0.02 -0.04 -0.04 0.89 0.90 2rfbB1 ILE 206 H 0.07 0.61 -0.19 -0.55 8.25 8.19 2rfbB1 ILE 206 HA 0.11 -0.00 0.29 -0.75 4.18 3.83 2rfbB1 ILE 206 HB 0.08 0.13 0.14 -0.04 1.89 2.20 2rfbB1 ILE 206 HG12 0.11 -0.08 0.01 -0.04 1.49 1.49 2rfbB1 ILE 206 HG13 0.08 0.24 0.10 -0.04 1.21 1.59 2rfbB1 ILE 206 HG23 0.19 -0.03 -0.14 -0.04 0.93 0.90 2rfbB1 ILE 206 HD13 0.03 -0.01 -0.07 -0.04 0.88 0.80 2rfbB1 GLY 207 H 0.09 0.43 -0.20 -0.55 8.43 8.20 2rfbB1 GLY 207 HA2 -0.02 -0.01 0.46 -0.51 4.01 3.93 2rfbB1 GLY 207 HA3 0.09 0.01 0.28 -0.51 4.01 3.88 2rfbB1 ASN 208 H 0.12 0.52 -0.22 -0.55 8.53 8.41 2rfbB1 ASN 208 HA 0.17 -0.04 0.45 -0.75 4.76 4.59 2rfbB1 ASN 208 HB2 0.12 0.12 0.22 -0.04 2.88 3.31 2rfbB1 ASN 208 HB3 0.22 -0.04 -0.01 -0.04 2.79 2.92 2rfbB1 ASN 208 HD21 -0.01 0.24 -0.30 -0.04 7.03 6.92 2rfbB1 ASN 208 HD22 0.06 0.04 -0.15 -0.04 7.74 7.65 2rfbB1 MET 209 H 0.14 0.62 -0.13 -0.55 8.47 8.56 2rfbB1 MET 209 HA 0.25 0.01 0.43 -0.75 4.52 4.46 2rfbB1 MET 209 HB2 0.16 0.15 0.11 -0.04 2.15 2.53 2rfbB1 MET 209 HB3 0.27 -0.05 -0.05 -0.04 2.03 2.16 2rfbB1 MET 209 HG2 0.44 -0.04 -0.04 -0.04 2.63 2.96 2rfbB1 MET 209 HG3 0.20 0.10 -0.00 -0.04 2.56 2.82 2rfbB1 MET 209 HE3 0.13 0.02 0.02 -0.04 2.10 2.24 2rfbB1 ILE 210 H 0.05 0.36 -0.23 -0.55 8.25 7.87 2rfbB1 ILE 210 HA -0.02 -0.00 0.33 -0.75 4.18 3.72 2rfbB1 ILE 210 HB -0.12 0.24 0.11 -0.04 1.89 2.07 2rfbB1 ILE 210 HG12 -0.15 -0.03 -0.02 -0.04 1.49 1.25 2rfbB1 ILE 210 HG13 -0.04 0.04 0.03 -0.04 1.21 1.20 2rfbB1 ILE 210 HG23 -0.20 -0.03 -0.23 -0.04 0.93 0.43 2rfbB1 ILE 210 HD13 -0.13 -0.02 -0.02 -0.04 0.88 0.67 2rfbB1 ARG 211 H 0.07 0.41 -0.33 -0.55 8.46 8.06 2rfbB1 ARG 211 HA 0.05 -0.07 0.23 -0.75 4.34 3.80 2rfbB1 ARG 211 HB2 0.25 -0.01 0.06 -0.04 1.90 2.15 2rfbB1 ARG 211 HB3 0.13 0.20 0.11 -0.04 1.80 2.20 2rfbB1 ARG 211 HG2 0.15 0.01 -0.23 -0.04 1.67 1.56 2rfbB1 ARG 211 HG3 0.20 -0.07 -0.04 -0.04 1.67 1.72 2rfbB1 ARG 211 HD2 -0.08 -0.05 -0.08 -0.04 3.22 2.96 2rfbB1 ARG 211 HD3 -0.66 0.06 -0.07 -0.04 3.22 2.51 2rfbB1 VAL 212 H 0.13 0.53 -0.17 -0.55 8.24 8.18 2rfbB1 VAL 212 HA -0.05 0.00 0.35 -0.75 4.13 3.67 2rfbB1 VAL 212 HB -0.03 0.18 0.11 -0.04 2.12 2.33 2rfbB1 VAL 212 HG13 -1.29 -0.03 -0.17 -0.04 0.97 -0.56 2rfbB1 VAL 212 HG23 -0.14 0.04 -0.02 -0.04 0.95 0.79 2rfbB1 ILE 213 H 0.06 0.43 -0.22 -0.55 8.25 7.97 2rfbB1 ILE 213 HA -0.01 0.09 0.48 -0.75 4.18 3.99 2rfbB1 ILE 213 HB -0.02 0.09 0.14 -0.04 1.89 2.05 2rfbB1 ILE 213 HG12 -0.12 -0.09 -0.06 -0.04 1.49 1.19 2rfbB1 ILE 213 HG13 0.10 -0.03 -0.08 -0.04 1.21 1.15 2rfbB1 ILE 213 HG23 -0.05 -0.01 -0.14 -0.04 0.93 0.69 2rfbB1 ILE 213 HD13 -0.13 0.02 -0.18 -0.04 0.88 0.55 2rfbB1 ASP 214 H -0.02 0.63 0.02 -0.55 8.40 8.48 2rfbB1 ASP 214 HA -0.03 0.13 0.34 -0.75 4.63 4.32 2rfbB1 ASP 214 HB2 -0.06 -0.17 -0.02 -0.04 2.71 2.42 2rfbB1 ASP 214 HB3 -0.04 0.09 0.03 -0.04 2.70 2.74 2rfbB1 GLU 215 H 0.03 0.41 -0.53 -0.55 8.60 7.96 2rfbB1 GLU 215 HA 0.05 0.04 0.67 -0.75 4.29 4.29 2rfbB1 GLU 215 HB2 0.07 0.12 0.08 -0.04 2.09 2.32 2rfbB1 GLU 215 HB3 0.07 -0.07 -0.01 -0.04 1.99 1.93 2rfbB1 GLU 215 HG2 0.11 -0.06 -0.00 -0.04 2.34 2.34 2rfbB1 GLU 215 HG3 0.13 -0.02 -0.06 -0.04 2.34 2.36 2rfbB1 ASN 216 H -0.03 0.53 -0.09 -0.55 8.53 8.39 2rfbB1 ASN 216 HA -0.01 0.11 0.87 -0.75 4.76 4.98 2rfbB1 ASN 216 HB2 -0.10 0.07 0.20 -0.04 2.88 3.01 2rfbB1 ASN 216 HB3 -0.03 -0.10 0.04 -0.04 2.79 2.65 2rfbB1 ASN 216 HD21 -0.20 -0.07 -0.05 -0.04 7.03 6.68 2rfbB1 ASN 216 HD22 -0.25 0.41 0.14 -0.04 7.74 8.00 2rfbB1 PRO 217 HA -0.01 0.18 0.20 -0.51 4.44 4.30 2rfbB1 PRO 217 HB2 0.00 -0.05 -0.02 -0.04 2.28 2.16 2rfbB1 PRO 217 HB3 -0.00 0.01 0.07 -0.04 2.02 2.06 2rfbB1 PRO 217 HG2 0.01 -0.03 0.05 -0.04 2.03 2.01 2rfbB1 PRO 217 HG3 0.00 0.20 -0.01 -0.04 2.03 2.18 2rfbB1 PRO 217 HD2 0.01 -0.02 0.11 -0.04 3.68 3.73 2rfbB1 PRO 217 HD3 0.01 0.49 -0.10 -0.04 3.65 4.01 2rfbB1 ASP 218 H 0.00 0.19 -0.30 -0.55 8.40 7.75 2rfbB1 ASP 218 HA 0.00 0.11 0.97 -0.75 4.63 4.96 2rfbB1 ASP 218 HB2 0.01 0.03 0.15 -0.04 2.71 2.86 2rfbB1 ASP 218 HB3 0.01 -0.03 0.15 -0.04 2.70 2.79 2rfbB1 ILE 219 H 0.01 0.24 -0.12 -0.55 8.25 7.82 2rfbB1 ILE 219 HA 0.06 0.12 0.47 -0.75 4.18 4.08 2rfbB1 ILE 219 HB 0.05 0.09 -0.02 -0.04 1.89 1.96 2rfbB1 ILE 219 HG12 0.28 -0.11 0.01 -0.04 1.49 1.63 2rfbB1 ILE 219 HG13 0.15 -0.01 0.11 -0.04 1.21 1.42 2rfbB1 ILE 219 HG23 0.09 0.05 -0.16 -0.04 0.93 0.87 2rfbB1 ILE 219 HD13 0.22 0.01 -0.05 -0.04 0.88 1.02 2rfbB1 ILE 220 H -0.01 0.13 0.10 -0.55 8.25 7.91 2rfbB1 ILE 220 HA -0.11 0.09 0.31 -0.75 4.18 3.72 2rfbB1 ILE 220 HB -0.02 0.02 0.17 -0.04 1.89 2.02 2rfbB1 ILE 220 HG12 -0.07 0.04 0.03 -0.04 1.49 1.45 2rfbB1 ILE 220 HG13 -0.07 -0.03 0.05 -0.04 1.21 1.11 2rfbB1 ILE 220 HG23 -0.03 0.01 -0.16 -0.04 0.93 0.71 2rfbB1 ILE 220 HD13 -0.03 0.07 0.06 -0.04 0.88 0.94 2rfbB1 ASP 221 H -0.01 0.10 -0.18 -0.55 8.40 7.76 2rfbB1 ASP 221 HA -0.01 0.09 0.40 -0.75 4.63 4.36 2rfbB1 ASP 221 HB2 0.02 -0.09 0.03 -0.04 2.71 2.63 2rfbB1 ASP 221 HB3 0.01 0.05 -0.01 -0.04 2.70 2.71 2rfbB1 ASP 222 H 0.03 0.09 -0.17 -0.55 8.40 7.80 2rfbB1 ASP 222 HA 0.05 -0.00 0.28 -0.75 4.63 4.21 2rfbB1 ASP 222 HB2 0.12 0.17 0.06 -0.04 2.71 3.01 2rfbB1 ASP 222 HB3 0.10 -0.01 0.01 -0.04 2.70 2.76 2rfbB1 ALA 223 H 0.02 0.53 -0.37 -0.55 8.40 8.03 2rfbB1 ALA 223 HA 0.10 -0.03 0.35 -0.75 4.34 4.01 2rfbB1 ALA 223 HB3 -0.42 0.03 -0.01 -0.04 1.41 0.98 2rfbB1 LEU 224 H -0.04 0.61 0.03 -0.55 8.37 8.42 2rfbB1 LEU 224 HA -0.03 -0.02 0.29 -0.75 4.35 3.84 2rfbB1 LEU 224 HB2 -0.01 0.10 0.20 -0.04 1.64 1.89 2rfbB1 LEU 224 HB3 -0.01 -0.06 0.01 -0.04 1.64 1.54 2rfbB1 LEU 224 HG -0.06 0.10 0.05 -0.04 1.64 1.69 2rfbB1 LEU 224 HD13 -0.02 -0.02 -0.06 -0.04 0.93 0.79 2rfbB1 LEU 224 HD23 -0.03 -0.01 -0.01 -0.04 0.89 0.80 2rfbB1 LYS 225 H 0.02 0.43 -0.23 -0.55 8.42 8.08 2rfbB1 LYS 225 HA 0.02 -0.02 0.41 -0.75 4.32 3.99 2rfbB1 LYS 225 HB2 0.04 0.23 0.06 -0.04 1.87 2.17 2rfbB1 LYS 225 HB3 0.04 -0.06 -0.06 -0.04 1.79 1.66 2rfbB1 LYS 225 HG2 0.02 -0.03 -0.00 -0.04 1.46 1.41 2rfbB1 LYS 225 HG3 0.02 -0.01 -0.12 -0.04 1.46 1.31 2rfbB1 LYS 225 HD2 0.03 0.02 -0.03 -0.04 1.69 1.66 2rfbB1 LYS 225 HD3 0.02 -0.02 -0.02 -0.04 1.68 1.63 2rfbB1 LYS 225 HE2 0.02 -0.01 -0.03 -0.04 2.99 2.93 2rfbB1 LYS 225 HE3 0.02 -0.01 -0.05 -0.04 2.99 2.91 2rfbB1 ASN 226 H 0.06 0.50 -0.34 -0.55 8.53 8.21 2rfbB1 ASN 226 HA 0.06 0.11 0.95 -0.75 4.76 5.13 2rfbB1 ASN 226 HB2 0.06 0.07 -0.17 -0.04 2.88 2.80 2rfbB1 ASN 226 HB3 0.10 0.05 0.12 -0.04 2.79 3.01 2rfbB1 ASN 226 HD21 0.06 0.00 -0.01 -0.04 7.03 7.04 2rfbB1 ASN 226 HD22 0.06 0.11 -0.05 -0.04 7.74 7.82 2rfbB1 ARG 227 H 0.06 0.23 0.05 -0.55 8.46 8.24 2rfbB1 ARG 227 HA 0.09 0.16 0.38 -0.75 4.34 4.22 2rfbB1 ARG 227 HB2 0.06 -0.04 0.16 -0.04 1.90 2.04 2rfbB1 ARG 227 HB3 0.08 -0.02 0.05 -0.04 1.80 1.86 2rfbB1 ARG 227 HG2 0.03 -0.01 0.03 -0.04 1.67 1.69 2rfbB1 ARG 227 HG3 0.03 0.18 0.01 -0.04 1.67 1.85 2rfbB1 ARG 227 HD2 0.04 -0.06 0.01 -0.04 3.22 3.17 2rfbB1 ARG 227 HD3 0.02 0.00 0.04 -0.04 3.22 3.25 2rfbB1 SER 228 H 0.09 0.13 -0.02 -0.55 8.46 8.11 2rfbB1 SER 228 HA 0.12 0.07 0.40 -0.75 4.49 4.33 2rfbB1 SER 228 HB2 0.08 -0.04 0.06 -0.04 3.95 4.02 2rfbB1 SER 228 HB3 0.10 0.04 -0.04 -0.04 3.93 3.98 2rfbB1 GLY 229 H 0.10 0.10 -0.30 -0.55 8.43 7.79 2rfbB1 GLY 229 HA2 0.07 0.03 0.29 -0.51 4.01 3.88 2rfbB1 GLY 229 HA3 0.09 0.09 0.23 -0.51 4.01 3.91 2rfbB1 PHE 230 H 0.27 0.59 -0.08 -0.55 8.34 8.56 2rfbB1 PHE 230 HA 0.15 0.00 0.46 -0.75 4.62 4.48 2rfbB1 PHE 230 HB2 0.11 0.06 0.10 -0.04 3.15 3.38 2rfbB1 PHE 230 HB3 0.10 0.10 0.10 -0.04 3.06 3.32 2rfbB1 PHE 230 HD2 0.16 0.00 -0.20 -0.04 7.28 7.21 2rfbB1 PHE 230 HE2 -0.05 -0.01 -0.10 -0.04 7.38 7.18 2rfbB1 PHE 230 HZ -0.19 0.04 -0.10 -0.04 7.32 7.03 2rfbB1 VAL 231 H 0.28 0.55 -0.05 -0.55 8.24 8.46 2rfbB1 VAL 231 HA 0.22 0.01 0.40 -0.75 4.13 4.00 2rfbB1 VAL 231 HB 0.16 0.15 0.21 -0.04 2.12 2.60 2rfbB1 VAL 231 HG13 0.16 -0.02 -0.12 -0.04 0.97 0.95 2rfbB1 VAL 231 HG23 0.18 0.05 -0.05 -0.04 0.95 1.10 2rfbB1 GLU 232 H 0.11 0.73 -0.11 -0.55 8.60 8.79 2rfbB1 GLU 232 HA 0.14 -0.03 0.31 -0.75 4.29 3.96 2rfbB1 GLU 232 HB2 0.12 0.26 0.08 -0.04 2.09 2.51 2rfbB1 GLU 232 HB3 0.08 0.03 0.01 -0.04 1.99 2.08 2rfbB1 GLU 232 HG2 0.14 -0.02 -0.04 -0.04 2.34 2.38 2rfbB1 GLU 232 HG3 0.23 -0.01 -0.00 -0.04 2.34 2.52 2rfbB1 GLU 233 H -0.10 0.54 -0.14 -0.55 8.60 8.36 2rfbB1 GLU 233 HA -0.27 0.06 0.61 -0.75 4.29 3.94 2rfbB1 GLU 233 HB2 -0.41 -0.04 0.08 -0.04 2.09 1.69 2rfbB1 GLU 233 HB3 -0.78 0.06 0.08 -0.04 1.99 1.30 2rfbB1 GLU 233 HG2 -1.58 -0.12 -0.31 -0.04 2.34 0.29 2rfbB1 GLU 233 HG3 -1.89 0.01 -0.15 -0.04 2.34 0.27 2rfbB1 THR 234 H -0.10 0.61 -0.14 -0.55 8.28 8.10 2rfbB1 THR 234 HA 0.17 0.01 0.46 -0.75 4.39 4.29 2rfbB1 THR 234 HB 0.06 0.07 0.09 -0.04 4.32 4.50 2rfbB1 THR 234 HG23 0.15 -0.01 -0.18 -0.04 1.22 1.14 2rfbB1 LEU 235 H -0.09 0.63 -0.08 -0.55 8.37 8.28 2rfbB1 LEU 235 HA -0.18 0.04 0.31 -0.75 4.35 3.77 2rfbB1 LEU 235 HB2 -0.32 0.15 0.11 -0.04 1.64 1.53 2rfbB1 LEU 235 HB3 -0.70 -0.13 -0.06 -0.04 1.64 0.71 2rfbB1 LEU 235 HG -0.07 0.08 0.00 -0.04 1.64 1.61 2rfbB1 LEU 235 HD13 0.06 -0.03 -0.12 -0.04 0.93 0.80 2rfbB1 LEU 235 HD23 -0.39 -0.02 -0.03 -0.04 0.89 0.41 2rfbB1 ARG 236 H -0.32 0.26 -0.52 -0.55 8.46 7.33 2rfbB1 ARG 236 HA -0.32 -0.06 0.58 -0.75 4.34 3.78 2rfbB1 ARG 236 HB2 -0.25 -0.10 0.13 -0.04 1.90 1.63 2rfbB1 ARG 236 HB3 -0.28 0.12 0.17 -0.04 1.80 1.77 2rfbB1 ARG 236 HG2 -0.40 0.14 -0.08 -0.04 1.67 1.29 2rfbB1 ARG 236 HG3 -0.41 -0.19 0.14 -0.04 1.67 1.17 2rfbB1 ARG 236 HD2 -2.05 -0.01 0.05 -0.04 3.22 1.16 2rfbB1 ARG 236 HD3 -0.49 -0.07 0.05 -0.04 3.22 2.67 2rfbB1 TYR 237 H -0.06 0.38 -0.08 -0.55 8.29 7.98 2rfbB1 TYR 237 HA -0.24 0.15 0.46 -0.75 4.56 4.17 2rfbB1 TYR 237 HB2 -0.22 0.06 0.07 -0.04 3.06 2.93 2rfbB1 TYR 237 HB3 -0.14 -0.06 0.03 -0.04 2.98 2.77 2rfbB1 TYR 237 HD2 -0.83 0.07 -0.21 -0.04 7.15 6.14 2rfbB1 TYR 237 HE2 -0.24 -0.08 -0.36 -0.04 6.85 6.13 2rfbB1 TYR 238 H 0.08 0.67 -0.09 -0.55 8.29 8.40 2rfbB1 TYR 238 HA -0.03 0.12 0.57 -0.75 4.56 4.47 2rfbB1 TYR 238 HB2 0.09 -0.03 0.06 -0.04 3.06 3.13 2rfbB1 TYR 238 HB3 0.03 -0.02 -0.02 -0.04 2.98 2.93 2rfbB1 TYR 238 HD2 0.05 0.03 -0.00 -0.04 7.15 7.19 2rfbB1 TYR 238 HE2 0.06 -0.03 -0.11 -0.04 6.85 6.73 2rfbB1 SER 239 H 0.01 0.12 -0.23 -0.55 8.46 7.82 2rfbB1 SER 239 HA -0.08 0.18 0.30 -0.75 4.49 4.14 2rfbB1 SER 239 HB2 -0.02 -0.12 -0.10 -0.04 3.95 3.67 2rfbB1 SER 239 HB3 -0.07 -0.03 0.01 -0.04 3.93 3.79 2rfbB1 PRO 240 HA -0.02 0.24 0.56 -0.51 4.44 4.70 2rfbB1 PRO 240 HB2 -0.04 -0.05 0.10 -0.04 2.28 2.25 2rfbB1 PRO 240 HB3 -0.02 0.02 0.19 -0.04 2.02 2.17 2rfbB1 PRO 240 HG2 -0.06 -0.03 0.11 -0.04 2.03 2.01 2rfbB1 PRO 240 HG3 -0.01 0.05 0.13 -0.04 2.03 2.15 2rfbB1 PRO 240 HD2 -0.13 0.03 0.24 -0.04 3.68 3.79 2rfbB1 PRO 240 HD3 -0.07 0.27 0.24 -0.04 3.65 4.04 2rfbB1 ILE 241 H -0.07 0.15 -0.06 -0.55 8.25 7.72 2rfbB1 ILE 241 HA -0.12 0.23 0.97 -0.75 4.18 4.51 2rfbB1 ILE 241 HB -0.06 0.02 0.13 -0.04 1.89 1.94 2rfbB1 ILE 241 HG12 -0.05 -0.11 -0.05 -0.04 1.49 1.23 2rfbB1 ILE 241 HG13 -0.03 0.03 0.05 -0.04 1.21 1.22 2rfbB1 ILE 241 HG23 -0.12 -0.03 -0.14 -0.04 0.93 0.60 2rfbB1 ILE 241 HD13 -0.07 0.01 -0.01 -0.04 0.88 0.77 2rfbB1 GLN 242 H -0.16 0.70 0.13 -0.55 8.47 8.59 2rfbB1 GLN 242 HA 0.02 -0.04 0.39 -0.75 4.36 3.97 2rfbB1 GLN 242 HB2 -0.08 0.09 -0.08 -0.04 2.15 2.04 2rfbB1 GLN 242 HB3 0.17 -0.13 -0.04 -0.04 2.02 1.98 2rfbB1 GLN 242 HG2 -0.03 0.02 -0.38 -0.04 2.40 1.97 2rfbB1 GLN 242 HG3 0.02 0.15 -0.26 -0.04 2.39 2.26 2rfbB1 GLN 242 HE21 0.04 -0.09 -0.09 -0.04 6.97 6.79 2rfbB1 GLN 242 HE22 0.01 0.40 -0.23 -0.04 7.69 7.82 2rfbB1 PHE 243 H -0.39 0.39 0.13 -0.55 8.34 7.92 2rfbB1 PHE 243 HA -0.19 0.04 0.90 -0.75 4.62 4.61 2rfbB1 PHE 243 HB2 -0.68 0.06 -0.09 -0.04 3.15 2.40 2rfbB1 PHE 243 HB3 -0.74 -0.04 -0.12 -0.04 3.06 2.12 2rfbB1 PHE 243 HD2 -0.14 0.00 -0.33 -0.04 7.28 6.78 2rfbB1 PHE 243 HE2 -0.02 0.03 -0.24 -0.04 7.38 7.11 2rfbB1 PHE 243 HZ -0.01 -0.06 -0.13 -0.04 7.32 7.09 2rfbB1 LEU 244 H -0.02 0.46 0.29 -0.55 8.37 8.56 2rfbB1 LEU 244 HA 0.00 0.24 0.95 -0.75 4.35 4.79 2rfbB1 LEU 244 HB2 -0.04 -0.05 0.18 -0.04 1.64 1.69 2rfbB1 LEU 244 HB3 0.04 0.03 0.05 -0.04 1.64 1.72 2rfbB1 LEU 244 HG -0.02 -0.06 -0.12 -0.04 1.64 1.40 2rfbB1 LEU 244 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.85 2rfbB1 LEU 244 HD23 -0.01 0.05 -0.03 -0.04 0.89 0.86 2rfbB1 PRO 245 HA -0.01 0.08 0.52 -0.51 4.44 4.52 2rfbB1 PRO 245 HB2 0.08 0.04 0.00 -0.04 2.28 2.36 2rfbB1 PRO 245 HB3 0.25 -0.01 -0.00 -0.04 2.02 2.22 2rfbB1 PRO 245 HG2 0.08 0.05 -0.03 -0.04 2.03 2.10 2rfbB1 PRO 245 HG3 0.08 0.02 0.02 -0.04 2.03 2.11 2rfbB1 PRO 245 HD2 0.07 0.09 0.19 -0.04 3.68 4.00 2rfbB1 PRO 245 HD3 0.00 0.25 0.13 -0.04 3.65 3.99 2rfbB1 HIS 246 H 0.13 0.07 -0.33 -0.55 8.41 7.73 2rfbB1 HIS 246 HA -0.23 0.25 0.66 -0.75 4.63 4.55 2rfbB1 HIS 246 HB2 0.16 0.03 0.04 -0.04 3.26 3.45 2rfbB1 HIS 246 HB3 0.01 -0.08 -0.06 -0.04 3.20 3.03 2rfbB1 HIS 246 HD2 -0.07 -0.11 0.01 -0.04 6.97 6.75 2rfbB1 HIS 246 HE1 -0.16 0.29 0.14 -0.04 7.75 7.97 2rfbB1 ARG 247 H -0.47 0.39 -0.00 -0.55 8.46 7.83 2rfbB1 ARG 247 HA -0.25 0.38 0.78 -0.75 4.34 4.50 2rfbB1 ARG 247 HB2 -0.26 0.18 0.08 -0.04 1.90 1.86 2rfbB1 ARG 247 HB3 -0.10 -0.08 -0.10 -0.04 1.80 1.48 2rfbB1 ARG 247 HG2 -0.26 -0.07 -0.23 -0.04 1.67 1.06 2rfbB1 ARG 247 HG3 -0.18 -0.08 -0.18 -0.04 1.67 1.18 2rfbB1 ARG 247 HD2 -0.10 0.08 -0.32 -0.04 3.22 2.84 2rfbB1 ARG 247 HD3 -0.40 0.24 -0.04 -0.04 3.22 2.97 2rfbB1 PHE 248 H 0.12 0.57 0.13 -0.55 8.34 8.62 2rfbB1 PHE 248 HA 0.10 0.34 0.73 -0.75 4.62 5.04 2rfbB1 PHE 248 HB2 0.03 -0.08 -0.08 -0.04 3.15 2.97 2rfbB1 PHE 248 HB3 0.05 0.00 -0.13 -0.04 3.06 2.94 2rfbB1 PHE 248 HD2 0.03 0.05 -0.34 -0.04 7.28 6.98 2rfbB1 PHE 248 HE2 0.05 -0.01 -0.12 -0.04 7.38 7.26 2rfbB1 PHE 248 HZ 0.04 -0.04 -0.06 -0.04 7.32 7.22 2rfbB1 ALA 249 H 0.24 0.50 0.09 -0.55 8.40 8.68 2rfbB1 ALA 249 HA 0.01 0.24 0.57 -0.75 4.34 4.39 2rfbB1 ALA 249 HB3 0.10 0.04 -0.06 -0.04 1.41 1.44 2rfbB1 ALA 250 H -0.11 0.81 0.45 -0.55 8.40 9.00 2rfbB1 ALA 250 HA 0.01 0.04 0.60 -0.75 4.34 4.24 2rfbB1 ALA 250 HB3 -0.04 0.02 0.18 -0.04 1.41 1.53 2rfbB1 GLU 251 H -0.10 0.29 -0.18 -0.55 8.60 8.07 2rfbB1 GLU 251 HA -0.03 -0.01 0.47 -0.75 4.29 3.97 2rfbB1 GLU 251 HB2 -0.08 -0.03 -0.20 -0.04 2.09 1.74 2rfbB1 GLU 251 HB3 -0.06 0.11 -0.02 -0.04 1.99 1.98 2rfbB1 GLU 251 HG2 -0.03 -0.07 0.10 -0.04 2.34 2.30 2rfbB1 GLU 251 HG3 -0.03 0.14 0.33 -0.04 2.34 2.74 2rfbB1 ASP 252 H -0.03 0.06 0.15 -0.55 8.40 8.03 2rfbB1 ASP 252 HA -0.07 0.21 0.65 -0.75 4.63 4.67 2rfbB1 ASP 252 HB2 -0.02 -0.01 0.13 -0.04 2.71 2.77 2rfbB1 ASP 252 HB3 -0.05 0.05 -0.02 -0.04 2.70 2.64 2rfbB1 SER 253 H -0.14 0.69 0.39 -0.55 8.46 8.85 2rfbB1 SER 253 HA 0.01 0.03 0.37 -0.75 4.49 4.15 2rfbB1 SER 253 HB2 0.01 -0.06 0.14 -0.04 3.95 3.99 2rfbB1 SER 253 HB3 -0.11 0.18 -0.07 -0.04 3.93 3.89 2rfbB1 TYR 254 H 0.14 0.20 0.17 -0.55 8.29 8.25 2rfbB1 TYR 254 HA -0.08 0.24 1.09 -0.75 4.56 5.05 2rfbB1 TYR 254 HB2 -0.03 -0.02 0.06 -0.04 3.06 3.04 2rfbB1 TYR 254 HB3 -0.04 -0.06 -0.16 -0.04 2.98 2.68 2rfbB1 TYR 254 HD2 -0.04 -0.03 -0.27 -0.04 7.15 6.78 2rfbB1 TYR 254 HE2 -0.01 0.03 -0.20 -0.04 6.85 6.63 2rfbB1 ILE 255 H -0.05 0.88 0.27 -0.55 8.25 8.80 2rfbB1 ILE 255 HA -0.02 0.09 0.74 -0.75 4.18 4.24 2rfbB1 ILE 255 HB -0.13 0.01 0.10 -0.04 1.89 1.83 2rfbB1 ILE 255 HG12 0.10 0.08 -0.08 -0.04 1.49 1.54 2rfbB1 ILE 255 HG13 0.01 -0.05 -0.39 -0.04 1.21 0.74 2rfbB1 ILE 255 HG23 -0.06 0.02 -0.09 -0.04 0.93 0.76 2rfbB1 ILE 255 HD13 -0.07 -0.01 -0.10 -0.04 0.88 0.67 2rfbB1 ASN 256 H -0.03 0.15 -0.03 -0.55 8.53 8.08 2rfbB1 ASN 256 HA -0.00 0.01 0.26 -0.75 4.76 4.27 2rfbB1 ASN 256 HB2 -0.03 -0.01 -0.13 -0.04 2.88 2.67 2rfbB1 ASN 256 HB3 -0.01 -0.07 -0.37 -0.04 2.79 2.30 2rfbB1 ASN 256 HD21 -0.01 -0.02 -0.03 -0.04 7.03 6.93 2rfbB1 ASN 256 HD22 -0.01 -0.09 -0.04 -0.04 7.74 7.56 2rfbB1 ASN 257 H 0.08 0.05 -0.19 -0.55 8.53 7.92 2rfbB1 ASN 257 HA 0.09 -0.04 0.25 -0.75 4.76 4.31 2rfbB1 ASN 257 HB2 0.05 0.37 0.20 -0.04 2.88 3.45 2rfbB1 ASN 257 HB3 0.06 -0.04 0.17 -0.04 2.79 2.95 2rfbB1 ASN 257 HD21 0.01 -0.02 -0.05 -0.04 7.03 6.92 2rfbB1 ASN 257 HD22 0.02 0.05 -0.06 -0.04 7.74 7.71 2rfbB1 LYS 258 H 0.05 0.65 -0.36 -0.55 8.42 8.20 2rfbB1 LYS 258 HA 0.05 0.17 0.89 -0.75 4.32 4.68 2rfbB1 LYS 258 HB2 -0.16 0.06 0.11 -0.04 1.87 1.84 2rfbB1 LYS 258 HB3 -0.27 -0.03 0.00 -0.04 1.79 1.44 2rfbB1 LYS 258 HG2 0.10 -0.01 -0.20 -0.04 1.46 1.31 2rfbB1 LYS 258 HG3 0.19 0.18 0.08 -0.04 1.46 1.87 2rfbB1 LYS 258 HD2 0.44 -0.06 0.07 -0.04 1.69 2.10 2rfbB1 LYS 258 HD3 0.18 0.07 0.11 -0.04 1.68 2.00 2rfbB1 LYS 258 HE2 0.17 -0.00 0.03 -0.04 2.99 3.14 2rfbB1 LYS 258 HE3 0.29 -0.00 0.08 -0.04 2.99 3.32 2rfbB1 LYS 259 H -0.16 0.23 0.09 -0.55 8.42 8.02 2rfbB1 LYS 259 HA -0.82 0.17 0.93 -0.75 4.32 3.86 2rfbB1 LYS 259 HB2 -0.97 -0.02 -0.07 -0.04 1.87 0.77 2rfbB1 LYS 259 HB3 -0.26 -0.01 0.09 -0.04 1.79 1.57 2rfbB1 LYS 259 HG2 -0.36 0.05 -0.35 -0.04 1.46 0.76 2rfbB1 LYS 259 HG3 -0.98 -0.01 -0.15 -0.04 1.46 0.27 2rfbB1 LYS 259 HD2 -0.12 -0.00 -0.07 -0.04 1.69 1.46 2rfbB1 LYS 259 HD3 -0.11 -0.03 -0.12 -0.04 1.68 1.39 2rfbB1 LYS 259 HE2 -0.06 -0.02 -0.10 -0.04 2.99 2.76 2rfbB1 LYS 259 HE3 0.07 -0.00 -0.10 -0.04 2.99 2.91 2rfbB1 ILE 260 H -0.42 0.57 0.30 -0.55 8.25 8.15 2rfbB1 ILE 260 HA -0.41 0.07 0.72 -0.75 4.18 3.81 2rfbB1 ILE 260 HB -0.09 0.01 0.05 -0.04 1.89 1.81 2rfbB1 ILE 260 HG12 -0.66 -0.09 -0.16 -0.04 1.49 0.54 2rfbB1 ILE 260 HG13 -0.21 0.00 -0.15 -0.04 1.21 0.82 2rfbB1 ILE 260 HG23 -0.14 0.02 -0.12 -0.04 0.93 0.65 2rfbB1 ILE 260 HD13 -1.27 0.01 -0.15 -0.04 0.88 -0.58 2rfbB1 LYS 261 H 0.18 0.16 0.12 -0.55 8.42 8.32 2rfbB1 LYS 261 HA -0.02 0.03 0.54 -0.75 4.32 4.12 2rfbB1 LYS 261 HB2 0.12 0.01 0.03 -0.04 1.87 1.99 2rfbB1 LYS 261 HB3 0.05 0.08 -0.01 -0.04 1.79 1.86 2rfbB1 LYS 261 HG2 0.00 -0.02 -0.05 -0.04 1.46 1.36 2rfbB1 LYS 261 HG3 0.02 0.02 -0.19 -0.04 1.46 1.27 2rfbB1 LYS 261 HD2 0.08 0.02 -0.01 -0.04 1.69 1.74 2rfbB1 LYS 261 HD3 0.05 0.03 -0.02 -0.04 1.68 1.69 2rfbB1 LYS 261 HE2 0.02 0.00 -0.01 -0.04 2.99 2.96 2rfbB1 LYS 261 HE3 0.02 -0.01 -0.02 -0.04 2.99 2.93 2rfbB1 LYS 262 H 0.01 0.03 0.05 -0.55 8.42 7.96 2rfbB1 LYS 262 HA 0.03 0.13 0.16 -0.75 4.32 3.88 2rfbB1 LYS 262 HB2 0.00 -0.17 0.08 -0.04 1.87 1.75 2rfbB1 LYS 262 HB3 0.02 -0.00 0.05 -0.04 1.79 1.82 2rfbB1 LYS 262 HG2 0.02 0.06 -0.17 -0.04 1.46 1.32 2rfbB1 LYS 262 HG3 0.00 0.10 -0.45 -0.04 1.46 1.06 2rfbB1 LYS 262 HD2 -0.00 -0.10 0.03 -0.04 1.69 1.58 2rfbB1 LYS 262 HD3 0.00 -0.04 -0.03 -0.04 1.68 1.58 2rfbB1 LYS 262 HE2 -0.00 -0.03 -0.00 -0.04 2.99 2.92 2rfbB1 LYS 262 HE3 -0.01 0.36 0.08 -0.04 2.99 3.39 2rfbB1 GLY 263 H 0.10 0.65 0.26 -0.55 8.43 8.89 2rfbB1 GLY 263 HA2 0.12 0.02 0.30 -0.51 4.01 3.95 2rfbB1 GLY 263 HA3 0.08 0.08 0.56 -0.51 4.01 4.22 2rfbB1 ASP 264 H 0.18 0.55 -0.18 -0.55 8.40 8.40 2rfbB1 ASP 264 HA 0.22 0.04 0.55 -0.75 4.63 4.69 2rfbB1 ASP 264 HB2 0.32 0.02 0.11 -0.04 2.71 3.12 2rfbB1 ASP 264 HB3 0.66 0.05 -0.01 -0.04 2.70 3.35 2rfbB1 GLN 265 H 0.17 0.17 0.31 -0.55 8.47 8.58 2rfbB1 GLN 265 HA -0.33 0.33 0.89 -0.75 4.36 4.50 2rfbB1 GLN 265 HB2 0.15 0.01 0.23 -0.04 2.15 2.49 2rfbB1 GLN 265 HB3 -0.02 -0.05 0.23 -0.04 2.02 2.14 2rfbB1 GLN 265 HG2 -0.30 0.00 -0.04 -0.04 2.40 2.03 2rfbB1 GLN 265 HG3 -0.67 0.05 0.16 -0.04 2.39 1.89 2rfbB1 GLN 265 HE21 0.01 -0.16 0.01 -0.04 6.97 6.78 2rfbB1 GLN 265 HE22 -0.12 0.85 0.20 -0.04 7.69 8.59 2rfbB1 VAL 266 H -0.32 0.74 0.22 -0.55 8.24 8.33 2rfbB1 VAL 266 HA 0.04 0.07 0.90 -0.75 4.13 4.39 2rfbB1 VAL 266 HB -0.20 -0.02 -0.09 -0.04 2.12 1.76 2rfbB1 VAL 266 HG13 -0.32 -0.02 -0.30 -0.04 0.97 0.28 2rfbB1 VAL 266 HG23 -0.00 0.01 -0.28 -0.04 0.95 0.63 2rfbB1 ILE 267 H -0.10 0.63 0.23 -0.55 8.25 8.46 2rfbB1 ILE 267 HA -0.16 0.29 0.91 -0.75 4.18 4.47 2rfbB1 ILE 267 HB -0.24 0.04 0.12 -0.04 1.89 1.76 2rfbB1 ILE 267 HG12 -0.16 0.12 -0.05 -0.04 1.49 1.36 2rfbB1 ILE 267 HG13 -0.24 -0.03 -0.21 -0.04 1.21 0.69 2rfbB1 ILE 267 HG23 -0.49 -0.03 -0.33 -0.04 0.93 0.04 2rfbB1 ILE 267 HD13 -0.20 -0.01 -0.09 -0.04 0.88 0.54 2rfbB1 VAL 268 H -0.13 0.55 0.27 -0.55 8.24 8.39 2rfbB1 VAL 268 HA 0.06 0.18 0.75 -0.75 4.13 4.36 2rfbB1 VAL 268 HB -0.09 0.07 0.15 -0.04 2.12 2.21 2rfbB1 VAL 268 HG13 -0.04 -0.02 -0.18 -0.04 0.97 0.69 2rfbB1 VAL 268 HG23 -0.13 0.00 -0.21 -0.04 0.95 0.57 2rfbB1 TYR 269 H 0.31 0.67 0.34 -0.55 8.29 9.06 2rfbB1 TYR 269 HA 0.16 0.22 1.05 -0.75 4.56 5.24 2rfbB1 TYR 269 HB2 0.14 -0.02 0.22 -0.04 3.06 3.36 2rfbB1 TYR 269 HB3 0.11 -0.09 0.08 -0.04 2.98 3.05 2rfbB1 TYR 269 HD2 0.10 0.08 -0.12 -0.04 7.15 7.16 2rfbB1 TYR 269 HE2 -0.10 0.03 -0.13 -0.04 6.85 6.61 2rfbB1 LEU 270 H 0.07 0.46 0.25 -0.55 8.37 8.61 2rfbB1 LEU 270 HA 0.04 -0.04 0.20 -0.75 4.35 3.79 2rfbB1 LEU 270 HB2 0.01 0.30 0.06 -0.04 1.64 1.97 2rfbB1 LEU 270 HB3 0.01 -0.05 -0.13 -0.04 1.64 1.43 2rfbB1 LEU 270 HG -0.00 -0.05 -0.12 -0.04 1.64 1.42 2rfbB1 LEU 270 HD13 -0.01 0.04 -0.07 -0.04 0.93 0.85 2rfbB1 LEU 270 HD23 -0.01 -0.02 -0.14 -0.04 0.89 0.67 2rfbB1 GLY 271 H 0.09 0.40 0.13 -0.55 8.43 8.51 2rfbB1 GLY 271 HA2 0.01 0.14 0.39 -0.51 4.01 4.03 2rfbB1 GLY 271 HA3 0.05 0.08 0.27 -0.51 4.01 3.91 2rfbB1 SER 272 H 0.17 0.07 -0.23 -0.55 8.46 7.93 2rfbB1 SER 272 HA 0.08 0.10 0.47 -0.75 4.49 4.39 2rfbB1 SER 272 HB2 0.14 -0.03 0.07 -0.04 3.95 4.10 2rfbB1 SER 272 HB3 0.24 0.08 0.13 -0.04 3.93 4.33 2rfbB1 ALA 273 H 0.14 0.51 -0.15 -0.55 8.40 8.35 2rfbB1 ALA 273 HA 0.16 -0.07 0.45 -0.75 4.34 4.12 2rfbB1 ALA 273 HB3 0.03 -0.01 -0.07 -0.04 1.41 1.32 2rfbB1 ASN 274 H 0.11 0.42 -0.31 -0.55 8.53 8.20 2rfbB1 ASN 274 HA 0.34 -0.06 0.59 -0.75 4.76 4.88 2rfbB1 ASN 274 HB2 -0.01 0.13 0.23 -0.04 2.88 3.19 2rfbB1 ASN 274 HB3 -0.14 0.21 0.26 -0.04 2.79 3.08 2rfbB1 ASN 274 HD21 -0.00 -0.29 -0.03 -0.04 7.03 6.67 2rfbB1 ASN 274 HD22 -0.06 0.17 0.01 -0.04 7.74 7.82 2rfbB1 ARG 275 H 0.11 0.28 -0.67 -0.55 8.46 7.64 2rfbB1 ARG 275 HA 0.02 0.25 0.80 -0.75 4.34 4.66 2rfbB1 ARG 275 HB2 0.03 0.01 0.16 -0.04 1.90 2.07 2rfbB1 ARG 275 HB3 -0.01 -0.13 0.10 -0.04 1.80 1.71 2rfbB1 ARG 275 HG2 -0.08 0.16 -0.17 -0.04 1.67 1.54 2rfbB1 ARG 275 HG3 -0.07 -0.10 -0.01 -0.04 1.67 1.44 2rfbB1 ARG 275 HD2 -0.19 -0.17 -0.12 -0.04 3.22 2.69 2rfbB1 ARG 275 HD3 -0.22 0.21 -0.06 -0.04 3.22 3.11 2rfbB1 ASP 276 H 0.40 0.28 -0.28 -0.55 8.40 8.25 2rfbB1 ASP 276 HA 0.15 0.09 0.67 -0.75 4.63 4.79 2rfbB1 ASP 276 HB2 0.29 0.43 0.26 -0.04 2.71 3.64 2rfbB1 ASP 276 HB3 0.18 -0.09 0.18 -0.04 2.70 2.93 2rfbB1 GLU 277 H 0.09 0.21 0.26 -0.55 8.60 8.61 2rfbB1 GLU 277 HA 0.07 0.29 0.51 -0.75 4.29 4.40 2rfbB1 GLU 277 HB2 0.04 -0.07 0.11 -0.04 2.09 2.12 2rfbB1 GLU 277 HB3 0.02 0.02 0.06 -0.04 1.99 2.05 2rfbB1 GLU 277 HG2 0.03 -0.00 0.08 -0.04 2.34 2.41 2rfbB1 GLU 277 HG3 0.05 0.04 0.12 -0.04 2.34 2.51 2rfbB1 THR 278 H 0.07 -0.03 -0.25 -0.55 8.28 7.51 2rfbB1 THR 278 HA -0.08 0.13 0.30 -0.75 4.39 3.98 2rfbB1 THR 278 HB 0.17 -0.08 -0.03 -0.04 4.32 4.34 2rfbB1 THR 278 HG23 -0.07 0.02 0.04 -0.04 1.22 1.17 2rfbB1 PHE 279 H 0.01 0.27 -0.47 -0.55 8.34 7.60 2rfbB1 PHE 279 HA -0.41 0.21 0.97 -0.75 4.62 4.63 2rfbB1 PHE 279 HB2 -0.70 -0.11 0.02 -0.04 3.15 2.33 2rfbB1 PHE 279 HB3 -1.42 0.07 -0.05 -0.04 3.06 1.62 2rfbB1 PHE 279 HD2 -0.49 -0.09 -0.14 -0.04 7.28 6.51 2rfbB1 PHE 279 HE2 -0.08 -0.06 -0.03 -0.04 7.38 7.17 2rfbB1 PHE 279 HZ 0.01 -0.01 -0.03 -0.04 7.32 7.25 2rfbB1 PHE 280 H 0.05 0.78 0.18 -0.55 8.34 8.79 2rfbB1 PHE 280 HA -0.01 0.09 0.90 -0.75 4.62 4.85 2rfbB1 PHE 280 HB2 0.02 -0.03 -0.06 -0.04 3.15 3.04 2rfbB1 PHE 280 HB3 0.01 0.08 -0.05 -0.04 3.06 3.06 2rfbB1 PHE 280 HD2 0.03 -0.12 -0.04 -0.04 7.28 7.11 2rfbB1 PHE 280 HE2 0.11 0.07 -0.03 -0.04 7.38 7.48 2rfbB1 PHE 280 HZ 0.18 -0.03 -0.16 -0.04 7.32 7.26 2rfbB1 ASP 281 H 0.09 0.12 0.05 -0.55 8.40 8.12 2rfbB1 ASP 281 HA 0.04 0.08 0.63 -0.75 4.63 4.62 2rfbB1 ASP 281 HB2 0.00 0.01 0.04 -0.04 2.71 2.73 2rfbB1 ASP 281 HB3 0.03 0.01 0.08 -0.04 2.70 2.78 2rfbB1 GLU 282 H 0.04 0.07 0.12 -0.55 8.60 8.29 2rfbB1 GLU 282 HA 0.04 -0.01 0.31 -0.75 4.29 3.88 2rfbB1 GLU 282 HB2 0.04 0.05 -0.08 -0.04 2.09 2.06 2rfbB1 GLU 282 HB3 0.04 -0.00 0.10 -0.04 1.99 2.09 2rfbB1 GLU 282 HG2 0.03 0.01 0.01 -0.04 2.34 2.35 2rfbB1 GLU 282 HG3 0.03 -0.03 0.07 -0.04 2.34 2.37 2rfbB1 PRO 283 HA 0.07 0.14 0.01 -0.51 4.44 4.16 2rfbB1 PRO 283 HB2 0.04 0.07 -0.16 -0.04 2.28 2.19 2rfbB1 PRO 283 HB3 0.15 -0.00 -0.32 -0.04 2.02 1.81 2rfbB1 PRO 283 HG2 0.07 -0.00 -0.06 -0.04 2.03 2.00 2rfbB1 PRO 283 HG3 0.10 0.32 -0.12 -0.04 2.03 2.30 2rfbB1 PRO 283 HD2 0.05 0.04 0.07 -0.04 3.68 3.79 2rfbB1 PRO 283 HD3 0.05 -0.02 0.17 -0.04 3.65 3.81 2rfbB1 ASP 284 H 0.04 0.05 -0.19 -0.55 8.40 7.74 2rfbB1 ASP 284 HA -0.07 0.28 0.84 -0.75 4.63 4.93 2rfbB1 ASP 284 HB2 0.00 -0.01 0.20 -0.04 2.71 2.86 2rfbB1 ASP 284 HB3 -0.10 0.05 0.07 -0.04 2.70 2.68 2rfbB1 LEU 285 H 0.13 0.46 -0.48 -0.55 8.37 7.94 2rfbB1 LEU 285 HA 0.16 0.08 0.35 -0.75 4.35 4.19 2rfbB1 LEU 285 HB2 0.06 0.17 0.02 -0.04 1.64 1.85 2rfbB1 LEU 285 HB3 0.06 -0.03 0.00 -0.04 1.64 1.63 2rfbB1 LEU 285 HG 0.07 -0.11 -0.35 -0.04 1.64 1.21 2rfbB1 LEU 285 HD13 0.04 -0.02 -0.03 -0.04 0.93 0.88 2rfbB1 LEU 285 HD23 0.07 0.06 0.09 -0.04 0.89 1.07 2rfbB1 PHE 286 H 0.02 0.12 0.02 -0.55 8.34 7.95 2rfbB1 PHE 286 HA -0.31 0.12 0.47 -0.75 4.62 4.14 2rfbB1 PHE 286 HB2 -0.71 0.03 0.02 -0.04 3.15 2.45 2rfbB1 PHE 286 HB3 -0.26 -0.02 0.12 -0.04 3.06 2.85 2rfbB1 PHE 286 HD2 -0.68 0.00 -0.16 -0.04 7.28 6.41 2rfbB1 PHE 286 HE2 -0.46 -0.03 -0.21 -0.04 7.38 6.64 2rfbB1 PHE 286 HZ -1.23 0.08 -0.06 -0.04 7.32 6.07 2rfbB1 LYS 287 H -0.40 0.26 0.12 -0.55 8.42 7.85 2rfbB1 LYS 287 HA -0.06 0.14 0.87 -0.75 4.32 4.51 2rfbB1 LYS 287 HB2 -0.08 0.08 0.07 -0.04 1.87 1.90 2rfbB1 LYS 287 HB3 -0.04 -0.03 -0.16 -0.04 1.79 1.52 2rfbB1 LYS 287 HG2 -0.00 -0.01 -0.12 -0.04 1.46 1.28 2rfbB1 LYS 287 HG3 -0.00 0.08 -0.32 -0.04 1.46 1.17 2rfbB1 LYS 287 HD2 0.02 0.01 -0.05 -0.04 1.69 1.63 2rfbB1 LYS 287 HD3 0.01 -0.05 -0.09 -0.04 1.68 1.51 2rfbB1 LYS 287 HE2 0.02 -0.08 -0.08 -0.04 2.99 2.81 2rfbB1 LYS 287 HE3 0.02 0.02 -0.10 -0.04 2.99 2.89 2rfbB1 ILE 288 H -0.04 0.19 -0.00 -0.55 8.25 7.84 2rfbB1 ILE 288 HA -0.15 0.05 0.39 -0.75 4.18 3.71 2rfbB1 ILE 288 HB 0.05 0.02 0.06 -0.04 1.89 1.99 2rfbB1 ILE 288 HG12 0.24 0.01 -0.09 -0.04 1.49 1.60 2rfbB1 ILE 288 HG13 0.11 -0.00 -0.11 -0.04 1.21 1.17 2rfbB1 ILE 288 HG23 0.11 0.01 -0.23 -0.04 0.93 0.78 2rfbB1 ILE 288 HD13 0.10 -0.00 0.06 -0.04 0.88 0.99 2rfbB1 GLY 289 H -0.05 0.12 0.23 -0.55 8.43 8.19 2rfbB1 GLY 289 HA2 0.02 0.00 0.27 -0.51 4.01 3.80 2rfbB1 GLY 289 HA3 0.02 0.13 0.65 -0.51 4.01 4.30 2rfbB1 ARG 290 H 0.01 0.06 0.14 -0.55 8.46 8.12 2rfbB1 ARG 290 HA 0.05 0.10 0.70 -0.75 4.34 4.44 2rfbB1 ARG 290 HB2 0.11 0.03 0.12 -0.04 1.90 2.12 2rfbB1 ARG 290 HB3 0.21 -0.06 0.09 -0.04 1.80 2.00 2rfbB1 ARG 290 HG2 0.07 -0.02 0.04 -0.04 1.67 1.72 2rfbB1 ARG 290 HG3 -0.02 0.14 0.00 -0.04 1.67 1.75 2rfbB1 ARG 290 HD2 -0.09 -0.01 0.08 -0.04 3.22 3.16 2rfbB1 ARG 290 HD3 0.24 -0.03 0.05 -0.04 3.22 3.45 2rfbB1 ARG 291 H 0.05 0.13 0.16 -0.55 8.46 8.24 2rfbB1 ARG 291 HA 0.04 0.09 0.29 -0.75 4.34 4.00 2rfbB1 ARG 291 HB2 0.01 0.02 0.01 -0.04 1.90 1.89 2rfbB1 ARG 291 HB3 0.02 -0.01 0.09 -0.04 1.80 1.85 2rfbB1 ARG 291 HG2 0.00 -0.00 0.05 -0.04 1.67 1.68 2rfbB1 ARG 291 HG3 0.02 0.03 0.10 -0.04 1.67 1.78 2rfbB1 ARG 291 HD2 0.01 -0.02 0.14 -0.04 3.22 3.31 2rfbB1 ARG 291 HD3 -0.02 0.03 0.08 -0.04 3.22 3.27 2rfbB1 GLU 292 H 0.11 0.05 -0.20 -0.55 8.60 8.01 2rfbB1 GLU 292 HA 0.06 0.07 0.33 -0.75 4.29 4.00 2rfbB1 GLU 292 HB2 -0.18 0.10 0.06 -0.04 2.09 2.03 2rfbB1 GLU 292 HB3 -0.00 0.01 0.04 -0.04 1.99 2.00 2rfbB1 GLU 292 HG2 -0.03 -0.00 -0.12 -0.04 2.34 2.15 2rfbB1 GLU 292 HG3 -0.04 -0.16 0.04 -0.04 2.34 2.14 2rfbB1 MET 293 H 0.10 0.06 0.15 -0.55 8.47 8.24 2rfbB1 MET 293 HA 0.08 0.05 0.38 -0.75 4.52 4.28 2rfbB1 MET 293 HB2 -0.00 0.05 0.09 -0.04 2.15 2.25 2rfbB1 MET 293 HB3 0.05 -0.01 0.13 -0.04 2.03 2.16 2rfbB1 MET 293 HG2 0.11 -0.05 0.08 -0.04 2.63 2.73 2rfbB1 MET 293 HG3 0.16 0.01 -0.10 -0.04 2.56 2.58 2rfbB1 MET 293 HE3 0.05 -0.01 0.01 -0.04 2.10 2.11 2rfbB1 HIS 294 H -0.18 0.07 0.19 -0.55 8.41 7.94 2rfbB1 HIS 294 HA 0.50 0.19 0.68 -0.75 4.63 5.25 2rfbB1 HIS 294 HB2 0.05 0.00 0.15 -0.04 3.26 3.42 2rfbB1 HIS 294 HB3 0.08 0.13 0.10 -0.04 3.20 3.47 2rfbB1 HIS 294 HD2 0.03 0.11 0.05 -0.04 6.97 7.11 2rfbB1 HIS 294 HE1 -0.26 -0.03 -0.09 -0.04 7.75 7.33 2rfbB1 LEU 295 H 0.27 0.22 0.09 -0.55 8.37 8.40 2rfbB1 LEU 295 HA 0.08 0.34 0.75 -0.75 4.35 4.77 2rfbB1 LEU 295 HB2 -0.02 0.07 0.00 -0.04 1.64 1.65 2rfbB1 LEU 295 HB3 -0.06 -0.05 0.04 -0.04 1.64 1.52 2rfbB1 LEU 295 HG -0.23 0.03 -0.22 -0.04 1.64 1.17 2rfbB1 LEU 295 HD13 -0.72 -0.01 -0.14 -0.04 0.93 0.02 2rfbB1 LEU 295 HD23 -0.18 0.04 -0.27 -0.04 0.89 0.44 2rfbB1 ALA 296 H 0.49 0.14 -0.22 -0.55 8.40 8.26 2rfbB1 ALA 296 HA -0.03 0.11 0.24 -0.75 4.34 3.91 2rfbB1 ALA 296 HB3 -0.29 0.05 0.02 -0.04 1.41 1.14 2rfbB1 PHE 297 H 0.19 0.13 -0.26 -0.55 8.34 7.84 2rfbB1 PHE 297 HA 0.07 0.14 0.75 -0.75 4.62 4.82 2rfbB1 PHE 297 HB2 0.07 0.10 -0.01 -0.04 3.15 3.27 2rfbB1 PHE 297 HB3 0.06 -0.11 0.13 -0.04 3.06 3.11 2rfbB1 PHE 297 HD2 0.09 0.04 0.00 -0.04 7.28 7.37 2rfbB1 PHE 297 HE2 0.11 0.01 -0.07 -0.04 7.38 7.39 2rfbB1 PHE 297 HZ 0.10 0.01 -0.08 -0.04 7.32 7.31 2rfbB1 GLY 298 H 0.11 0.56 -0.43 -0.55 8.43 8.12 2rfbB1 GLY 298 HA2 0.03 0.07 0.26 -0.51 4.01 3.86 2rfbB1 GLY 298 HA3 0.08 0.07 0.55 -0.51 4.01 4.20 2rfbB1 ILE 299 H 0.04 0.34 0.13 -0.55 8.25 8.21 2rfbB1 ILE 299 HA 0.04 0.09 0.31 -0.75 4.18 3.87 2rfbB1 ILE 299 HB -0.00 0.20 -0.03 -0.04 1.89 2.02 2rfbB1 ILE 299 HG12 0.01 -0.01 -0.01 -0.04 1.49 1.44 2rfbB1 ILE 299 HG13 0.02 -0.01 0.13 -0.04 1.21 1.30 2rfbB1 ILE 299 HG23 -0.05 -0.02 -0.23 -0.04 0.93 0.59 2rfbB1 ILE 299 HD13 0.01 0.01 -0.03 -0.04 0.88 0.83 2rfbB1 GLY 300 H 0.02 0.13 0.10 -0.55 8.43 8.14 2rfbB1 GLY 300 HA2 0.01 0.05 0.34 -0.51 4.01 3.90 2rfbB1 GLY 300 HA3 0.01 0.21 0.52 -0.51 4.01 4.24 2rfbB1 ILE 301 H -0.02 0.21 0.20 -0.55 8.25 8.09 2rfbB1 ILE 301 HA 0.00 0.08 0.11 -0.75 4.18 3.62 2rfbB1 ILE 301 HB -0.04 0.02 0.13 -0.04 1.89 1.96 2rfbB1 ILE 301 HG12 -0.12 -0.02 0.11 -0.04 1.49 1.43 2rfbB1 ILE 301 HG13 -0.54 0.09 -0.08 -0.04 1.21 0.64 2rfbB1 ILE 301 HG23 -0.02 -0.00 0.10 -0.04 0.93 0.97 2rfbB1 ILE 301 HD13 -0.42 -0.01 -0.01 -0.04 0.88 0.40 2rfbB1 HIS 302 H 0.05 0.12 -0.33 -0.55 8.41 7.71 2rfbB1 HIS 302 HA 0.16 0.19 0.85 -0.75 4.63 5.08 2rfbB1 HIS 302 HB2 0.01 0.01 0.00 -0.04 3.26 3.25 2rfbB1 HIS 302 HB3 0.05 -0.02 0.15 -0.04 3.20 3.34 2rfbB1 HIS 302 HD2 0.11 -0.06 0.02 -0.04 6.97 6.99 2rfbB1 HIS 302 HE1 -0.20 -0.09 0.08 -0.04 7.75 7.49 2rfbB1 MET 303 H 0.08 0.52 -0.34 -0.55 8.47 8.18 2rfbB1 MET 303 HA 0.10 0.11 0.39 -0.75 4.52 4.36 2rfbB1 MET 303 HB2 0.05 -0.09 -0.10 -0.04 2.15 1.97 2rfbB1 MET 303 HB3 0.04 -0.01 -0.10 -0.04 2.03 1.93 2rfbB1 MET 303 HG2 0.05 0.02 -0.23 -0.04 2.63 2.43 2rfbB1 MET 303 HG3 0.10 0.11 -0.53 -0.04 2.56 2.20 2rfbB1 MET 303 HE3 0.06 0.02 -0.06 -0.04 2.10 2.08 2rfbB1 CYS 304 H 0.12 0.54 0.23 -0.55 8.50 8.84 2rfbB1 CYS 304 HA 0.06 0.02 0.29 -0.75 4.58 4.19 2rfbB1 CYS 304 HB2 0.24 0.14 0.21 -0.04 2.97 3.53 2rfbB1 CYS 304 HB3 -0.27 -0.08 0.14 -0.04 2.97 2.72 2rfbB1 LEU 305 H 0.01 0.15 0.11 -0.55 8.37 8.10 2rfbB1 LEU 305 HA -0.02 0.16 0.58 -0.75 4.35 4.32 2rfbB1 LEU 305 HB2 0.06 0.06 0.10 -0.04 1.64 1.83 2rfbB1 LEU 305 HB3 -0.15 -0.05 0.05 -0.04 1.64 1.45 2rfbB1 LEU 305 HG -0.54 0.00 -0.15 -0.04 1.64 0.91 2rfbB1 LEU 305 HD13 0.06 0.00 0.02 -0.04 0.93 0.97 2rfbB1 LEU 305 HD23 0.08 -0.01 -0.05 -0.04 0.89 0.87 2rfbB1 GLY 306 H -0.10 0.07 -0.13 -0.55 8.43 7.73 2rfbB1 GLY 306 HA2 -0.01 0.15 0.44 -0.51 4.01 4.08 2rfbB1 GLY 306 HA3 -0.03 0.04 0.25 -0.51 4.01 3.76 2rfbB1 ALA 307 H -0.22 0.29 -0.54 -0.55 8.40 7.38 2rfbB1 ALA 307 HA -0.48 -0.04 0.16 -0.75 4.34 3.23 2rfbB1 ALA 307 HB3 -0.96 0.03 0.02 -0.04 1.41 0.47 2rfbB1 PRO 308 HA 0.04 0.01 0.47 -0.51 4.44 4.45 2rfbB1 PRO 308 HB2 0.09 0.12 -0.05 -0.04 2.28 2.41 2rfbB1 PRO 308 HB3 0.06 -0.07 0.11 -0.04 2.02 2.07 2rfbB1 PRO 308 HG2 0.08 0.29 0.05 -0.04 2.03 2.41 2rfbB1 PRO 308 HG3 0.02 -0.04 0.07 -0.04 2.03 2.04 2rfbB1 PRO 308 HD2 0.04 0.25 -0.23 -0.04 3.68 3.70 2rfbB1 PRO 308 HD3 -0.09 0.11 0.02 -0.04 3.65 3.64 2rfbB1 LEU 309 H 0.12 0.40 -0.17 -0.55 8.37 8.16 2rfbB1 LEU 309 HA 0.10 0.03 0.50 -0.75 4.35 4.23 2rfbB1 LEU 309 HB2 0.18 0.04 0.11 -0.04 1.64 1.93 2rfbB1 LEU 309 HB3 0.18 0.14 0.17 -0.04 1.64 2.08 2rfbB1 LEU 309 HG 0.10 -0.05 -0.18 -0.04 1.64 1.47 2rfbB1 LEU 309 HD13 0.03 -0.01 0.02 -0.04 0.93 0.93 2rfbB1 LEU 309 HD23 0.14 0.01 -0.03 -0.04 0.89 0.96 2rfbB1 ALA 310 H 0.10 0.51 -0.09 -0.55 8.40 8.37 2rfbB1 ALA 310 HA 0.13 0.00 0.40 -0.75 4.34 4.12 2rfbB1 ALA 310 HB3 0.23 0.03 -0.00 -0.04 1.41 1.63 2rfbB1 ARG 311 H 0.14 0.67 -0.13 -0.55 8.46 8.58 2rfbB1 ARG 311 HA 0.18 0.01 0.47 -0.75 4.34 4.24 2rfbB1 ARG 311 HB2 0.10 0.11 0.15 -0.04 1.90 2.22 2rfbB1 ARG 311 HB3 0.13 -0.07 0.00 -0.04 1.80 1.83 2rfbB1 ARG 311 HG2 0.29 -0.05 -0.02 -0.04 1.67 1.85 2rfbB1 ARG 311 HG3 0.13 0.26 -0.03 -0.04 1.67 1.99 2rfbB1 ARG 311 HD2 0.10 -0.01 -0.05 -0.04 3.22 3.22 2rfbB1 ARG 311 HD3 0.16 -0.04 -0.02 -0.04 3.22 3.27 2rfbB1 LEU 312 H 0.10 0.60 -0.15 -0.55 8.37 8.37 2rfbB1 LEU 312 HA 0.08 -0.03 0.37 -0.75 4.35 4.03 2rfbB1 LEU 312 HB2 0.09 0.23 0.22 -0.04 1.64 2.14 2rfbB1 LEU 312 HB3 0.09 0.01 0.07 -0.04 1.64 1.76 2rfbB1 LEU 312 HG 0.08 -0.01 -0.02 -0.04 1.64 1.64 2rfbB1 LEU 312 HD13 0.11 -0.02 -0.14 -0.04 0.93 0.84 2rfbB1 LEU 312 HD23 0.07 -0.02 -0.00 -0.04 0.89 0.89 2rfbB1 GLU 313 H 0.09 0.89 0.05 -0.55 8.60 9.07 2rfbB1 GLU 313 HA 0.05 -0.04 0.30 -0.75 4.29 3.86 2rfbB1 GLU 313 HB2 0.08 0.08 0.14 -0.04 2.09 2.36 2rfbB1 GLU 313 HB3 0.05 -0.05 -0.04 -0.04 1.99 1.91 2rfbB1 GLU 313 HG2 0.05 -0.06 -0.00 -0.04 2.34 2.28 2rfbB1 GLU 313 HG3 0.07 0.13 -0.08 -0.04 2.34 2.42 2rfbB1 ALA 314 H 0.11 0.64 -0.28 -0.55 8.40 8.32 2rfbB1 ALA 314 HA 0.11 -0.03 0.27 -0.75 4.34 3.93 2rfbB1 ALA 314 HB3 0.13 0.01 0.09 -0.04 1.41 1.60 2rfbB1 SER 315 H 0.10 0.62 -0.17 -0.55 8.46 8.47 2rfbB1 SER 315 HA 0.10 -0.01 0.32 -0.75 4.49 4.15 2rfbB1 SER 315 HB2 0.10 0.19 0.10 -0.04 3.95 4.31 2rfbB1 SER 315 HB3 0.08 0.06 0.09 -0.04 3.93 4.12 2rfbB1 ILE 316 H 0.07 0.50 -0.17 -0.55 8.25 8.10 2rfbB1 ILE 316 HA 0.05 0.04 0.44 -0.75 4.18 3.95 2rfbB1 ILE 316 HB 0.05 0.10 0.08 -0.04 1.89 2.08 2rfbB1 ILE 316 HG12 0.04 -0.03 0.00 -0.04 1.49 1.46 2rfbB1 ILE 316 HG13 0.06 0.02 0.02 -0.04 1.21 1.26 2rfbB1 ILE 316 HG23 0.03 -0.02 -0.13 -0.04 0.93 0.78 2rfbB1 ILE 316 HD13 0.05 -0.02 -0.05 -0.04 0.88 0.82 2rfbB1 ALA 317 H 0.09 0.57 -0.04 -0.55 8.40 8.47 2rfbB1 ALA 317 HA 0.19 -0.00 0.38 -0.75 4.34 4.15 2rfbB1 ALA 317 HB3 0.16 0.02 0.10 -0.04 1.41 1.65 2rfbB1 LEU 318 H 0.09 0.83 -0.05 -0.55 8.37 8.69 2rfbB1 LEU 318 HA 0.03 -0.05 0.30 -0.75 4.35 3.88 2rfbB1 LEU 318 HB2 0.09 -0.02 0.07 -0.04 1.64 1.75 2rfbB1 LEU 318 HB3 0.06 0.14 0.14 -0.04 1.64 1.93 2rfbB1 LEU 318 HG -0.09 0.01 -0.44 -0.04 1.64 1.09 2rfbB1 LEU 318 HD13 -0.33 -0.03 -0.08 -0.04 0.93 0.45 2rfbB1 LEU 318 HD23 0.01 0.00 -0.04 -0.04 0.89 0.82 2rfbB1 ASN 319 H 0.03 0.49 -0.25 -0.55 8.53 8.25 2rfbB1 ASN 319 HA -0.01 -0.02 0.42 -0.75 4.76 4.39 2rfbB1 ASN 319 HB2 0.03 0.15 0.21 -0.04 2.88 3.23 2rfbB1 ASN 319 HB3 0.03 0.12 0.16 -0.04 2.79 3.06 2rfbB1 ASN 319 HD21 0.01 -0.04 -0.02 -0.04 7.03 6.94 2rfbB1 ASN 319 HD22 0.02 0.01 -0.02 -0.04 7.74 7.70 2rfbB1 ASP 320 H 0.04 0.59 -0.13 -0.55 8.40 8.36 2rfbB1 ASP 320 HA 0.01 0.03 0.45 -0.75 4.63 4.36 2rfbB1 ASP 320 HB2 0.06 0.10 0.10 -0.04 2.71 2.93 2rfbB1 ASP 320 HB3 -0.00 -0.01 -0.14 -0.04 2.70 2.51 2rfbB1 ILE 321 H 0.02 0.69 0.07 -0.55 8.25 8.48 2rfbB1 ILE 321 HA 0.06 0.02 0.40 -0.75 4.18 3.91 2rfbB1 ILE 321 HB 0.01 0.07 0.01 -0.04 1.89 1.95 2rfbB1 ILE 321 HG12 -0.15 -0.05 -0.03 -0.04 1.49 1.21 2rfbB1 ILE 321 HG13 -0.02 0.10 0.05 -0.04 1.21 1.30 2rfbB1 ILE 321 HG23 0.06 -0.02 -0.07 -0.04 0.93 0.86 2rfbB1 ILE 321 HD13 0.09 -0.03 -0.18 -0.04 0.88 0.72 2rfbB1 LEU 322 H 0.00 0.51 -0.25 -0.55 8.37 8.08 2rfbB1 LEU 322 HA 0.02 0.07 0.52 -0.75 4.35 4.20 2rfbB1 LEU 322 HB2 -0.03 0.15 0.12 -0.04 1.64 1.84 2rfbB1 LEU 322 HB3 -0.04 -0.06 -0.02 -0.04 1.64 1.49 2rfbB1 LEU 322 HG -0.09 0.11 0.03 -0.04 1.64 1.65 2rfbB1 LEU 322 HD13 -0.17 -0.02 -0.08 -0.04 0.93 0.61 2rfbB1 LEU 322 HD23 -0.10 -0.03 -0.02 -0.04 0.89 0.70 2rfbB1 ASN 323 H 0.01 0.44 -0.11 -0.55 8.53 8.32 2rfbB1 ASN 323 HA 0.00 0.03 0.42 -0.75 4.76 4.46 2rfbB1 ASN 323 HB2 0.01 0.10 0.15 -0.04 2.88 3.10 2rfbB1 ASN 323 HB3 0.01 -0.07 0.08 -0.04 2.79 2.76 2rfbB1 ASN 323 HD21 -0.00 -0.05 -0.01 -0.04 7.03 6.92 2rfbB1 ASN 323 HD22 -0.00 -0.00 0.04 -0.04 7.74 7.73 2rfbB1 HIS 324 H 0.05 0.29 -0.47 -0.55 8.41 7.73 2rfbB1 HIS 324 HA -0.15 0.16 0.99 -0.75 4.63 4.88 2rfbB1 HIS 324 HB2 -0.14 0.03 -0.03 -0.04 3.26 3.08 2rfbB1 HIS 324 HB3 -0.26 -0.02 0.00 -0.04 3.20 2.87 2rfbB1 HIS 324 HD2 -0.13 0.03 0.08 -0.04 6.97 6.90 2rfbB1 HIS 324 HE1 -0.20 -0.04 0.07 -0.04 7.75 7.54 2rfbB1 PHE 325 H 0.07 0.51 -0.11 -0.55 8.34 8.25 2rfbB1 PHE 325 HA -0.15 0.11 0.99 -0.75 4.62 4.82 2rfbB1 PHE 325 HB2 -0.08 0.22 0.19 -0.04 3.15 3.44 2rfbB1 PHE 325 HB3 -0.08 -0.07 -0.03 -0.04 3.06 2.84 2rfbB1 PHE 325 HD2 -0.10 0.08 0.06 -0.04 7.28 7.28 2rfbB1 PHE 325 HE2 -0.10 -0.06 0.01 -0.04 7.38 7.20 2rfbB1 PHE 325 HZ -0.07 -0.09 -0.06 -0.04 7.32 7.07 2rfbB1 LYS 326 H -0.03 0.19 -0.05 -0.55 8.42 7.97 2rfbB1 LYS 326 HA 0.01 0.21 0.68 -0.75 4.32 4.47 2rfbB1 LYS 326 HB2 -0.03 -0.02 0.09 -0.04 1.87 1.87 2rfbB1 LYS 326 HB3 -0.01 -0.04 0.20 -0.04 1.79 1.90 2rfbB1 LYS 326 HG2 -0.02 -0.05 0.00 -0.04 1.46 1.35 2rfbB1 LYS 326 HG3 -0.02 0.09 -0.09 -0.04 1.46 1.40 2rfbB1 LYS 326 HD2 -0.10 -0.03 -0.35 -0.04 1.69 1.17 2rfbB1 LYS 326 HD3 -0.08 -0.05 -0.05 -0.04 1.68 1.46 2rfbB1 LYS 326 HE2 -0.03 -0.10 -0.02 -0.04 2.99 2.80 2rfbB1 LYS 326 HE3 -0.03 0.20 -0.09 -0.04 2.99 3.04 2rfbB1 ARG 327 H 0.10 0.17 -0.79 -0.55 8.46 7.39 2rfbB1 ARG 327 HA 0.00 0.03 0.23 -0.75 4.34 3.85 2rfbB1 ARG 327 HB2 0.00 -0.01 0.09 -0.04 1.90 1.94 2rfbB1 ARG 327 HB3 0.01 0.25 0.11 -0.04 1.80 2.13 2rfbB1 ARG 327 HG2 0.02 0.02 -0.08 -0.04 1.67 1.59 2rfbB1 ARG 327 HG3 0.05 -0.07 -0.03 -0.04 1.67 1.58 2rfbB1 ARG 327 HD2 -0.02 -0.09 -0.48 -0.04 3.22 2.59 2rfbB1 ARG 327 HD3 -0.01 0.03 -0.15 -0.04 3.22 3.05 2rfbB1 ILE 328 H -0.04 0.26 0.00 -0.55 8.25 7.92 2rfbB1 ILE 328 HA -0.20 0.10 0.86 -0.75 4.18 4.18 2rfbB1 ILE 328 HB -0.07 0.04 0.04 -0.04 1.89 1.85 2rfbB1 ILE 328 HG12 -0.23 -0.00 -0.11 -0.04 1.49 1.10 2rfbB1 ILE 328 HG13 -0.03 -0.10 -0.58 -0.04 1.21 0.47 2rfbB1 ILE 328 HG23 -0.16 -0.02 -0.14 -0.04 0.93 0.57 2rfbB1 ILE 328 HD13 -0.04 0.03 -0.07 -0.04 0.88 0.76 2rfbB1 LYS 329 H -0.15 0.20 -0.01 -0.55 8.42 7.91 2rfbB1 LYS 329 HA -0.06 0.20 0.84 -0.75 4.32 4.55 2rfbB1 LYS 329 HB2 -0.05 -0.03 0.01 -0.04 1.87 1.76 2rfbB1 LYS 329 HB3 -0.03 0.05 -0.05 -0.04 1.79 1.72 2rfbB1 LYS 329 HG2 -0.02 0.13 -0.05 -0.04 1.46 1.47 2rfbB1 LYS 329 HG3 -0.03 -0.12 -0.47 -0.04 1.46 0.79 2rfbB1 LYS 329 HD2 -0.02 -0.01 -0.08 -0.04 1.69 1.54 2rfbB1 LYS 329 HD3 -0.01 0.01 -0.04 -0.04 1.68 1.60 2rfbB1 LYS 329 HE2 -0.01 0.04 -0.04 -0.04 2.99 2.94 2rfbB1 LYS 329 HE3 -0.01 -0.03 -0.08 -0.04 2.99 2.82 2rfbB1 ILE 330 H -0.09 0.21 0.06 -0.55 8.25 7.88 2rfbB1 ILE 330 HA -0.22 0.07 0.62 -0.75 4.18 3.89 2rfbB1 ILE 330 HB -0.22 0.04 0.08 -0.04 1.89 1.74 2rfbB1 ILE 330 HG12 -0.36 -0.03 -0.12 -0.04 1.49 0.93 2rfbB1 ILE 330 HG13 -0.21 -0.05 -0.16 -0.04 1.21 0.75 2rfbB1 ILE 330 HG23 -0.81 -0.01 -0.27 -0.04 0.93 -0.20 2rfbB1 ILE 330 HD13 -0.17 0.02 -0.15 -0.04 0.88 0.53 2rfbB1 ASP 331 H -0.13 0.44 0.37 -0.55 8.40 8.53 2rfbB1 ASP 331 HA -0.02 0.08 0.76 -0.75 4.63 4.70 2rfbB1 ASP 331 HB2 -0.03 0.19 0.18 -0.04 2.71 3.01 2rfbB1 ASP 331 HB3 -0.01 0.11 0.31 -0.04 2.70 3.07 2rfbB1 TYR 332 H 0.13 0.28 0.16 -0.55 8.29 8.30 2rfbB1 TYR 332 HA 0.04 0.09 0.35 -0.75 4.56 4.29 2rfbB1 TYR 332 HB2 0.02 0.01 0.12 -0.04 3.06 3.16 2rfbB1 TYR 332 HB3 0.02 0.04 0.07 -0.04 2.98 3.07 2rfbB1 TYR 332 HD2 0.04 0.10 0.01 -0.04 7.15 7.26 2rfbB1 TYR 332 HE2 0.08 0.00 -0.08 -0.04 6.85 6.82 2rfbB1 LYS 333 H 0.07 0.02 -0.22 -0.55 8.42 7.73 2rfbB1 LYS 333 HA 0.06 0.18 0.72 -0.75 4.32 4.53 2rfbB1 LYS 333 HB2 0.02 -0.06 0.08 -0.04 1.87 1.87 2rfbB1 LYS 333 HB3 -0.00 0.03 -0.07 -0.04 1.79 1.71 2rfbB1 LYS 333 HG2 0.02 0.04 0.07 -0.04 1.46 1.55 2rfbB1 LYS 333 HG3 0.03 -0.01 0.01 -0.04 1.46 1.44 2rfbB1 LYS 333 HD2 0.01 -0.01 0.01 -0.04 1.69 1.65 2rfbB1 LYS 333 HD3 -0.00 0.00 -0.01 -0.04 1.68 1.63 2rfbB1 LYS 333 HE2 0.00 0.01 0.01 -0.04 2.99 2.97 2rfbB1 LYS 333 HE3 0.01 0.00 0.01 -0.04 2.99 2.96 2rfbB1 LYS 334 H 0.01 0.14 -0.11 -0.55 8.42 7.91 2rfbB1 LYS 334 HA -0.04 0.15 0.72 -0.75 4.32 4.39 2rfbB1 LYS 334 HB2 -0.01 0.02 0.09 -0.04 1.87 1.93 2rfbB1 LYS 334 HB3 -0.39 -0.03 0.07 -0.04 1.79 1.40 2rfbB1 LYS 334 HG2 -0.10 -0.04 -0.14 -0.04 1.46 1.14 2rfbB1 LYS 334 HG3 -0.08 0.01 0.04 -0.04 1.46 1.40 2rfbB1 LYS 334 HD2 -0.31 0.02 -0.01 -0.04 1.69 1.35 2rfbB1 LYS 334 HD3 -0.35 -0.00 -0.01 -0.04 1.68 1.28 2rfbB1 LYS 334 HE2 -0.10 -0.01 -0.04 -0.04 2.99 2.79 2rfbB1 LYS 334 HE3 -0.09 0.01 -0.01 -0.04 2.99 2.86 2rfbB1 SER 335 H 0.06 0.26 0.05 -0.55 8.46 8.28 2rfbB1 SER 335 HA 0.16 0.02 0.55 -0.75 4.49 4.47 2rfbB1 SER 335 HB2 -0.13 0.00 0.00 -0.04 3.95 3.79 2rfbB1 SER 335 HB3 0.04 0.11 0.06 -0.04 3.93 4.11 2rfbB1 ARG 336 H 0.15 0.12 0.30 -0.55 8.46 8.48 2rfbB1 ARG 336 HA 0.16 0.18 0.60 -0.75 4.34 4.52 2rfbB1 ARG 336 HB2 0.08 -0.03 -0.02 -0.04 1.90 1.88 2rfbB1 ARG 336 HB3 0.05 0.11 0.01 -0.04 1.80 1.92 2rfbB1 ARG 336 HG2 0.04 -0.02 0.11 -0.04 1.67 1.76 2rfbB1 ARG 336 HG3 0.08 0.15 0.14 -0.04 1.67 2.01 2rfbB1 ARG 336 HD2 0.03 -0.04 -0.00 -0.04 3.22 3.17 2rfbB1 ARG 336 HD3 0.03 -0.02 0.00 -0.04 3.22 3.20 2rfbB1 LEU 337 H 0.01 0.16 0.14 -0.55 8.37 8.13 2rfbB1 LEU 337 HA -0.26 0.09 0.92 -0.75 4.35 4.35 2rfbB1 LEU 337 HB2 -0.10 -0.01 0.05 -0.04 1.64 1.55 2rfbB1 LEU 337 HB3 -0.21 0.16 0.18 -0.04 1.64 1.73 2rfbB1 LEU 337 HG -0.12 -0.11 -0.01 -0.04 1.64 1.36 2rfbB1 LEU 337 HD13 -0.11 0.01 0.00 -0.04 0.93 0.79 2rfbB1 LEU 337 HD23 -0.70 -0.01 -0.08 -0.04 0.89 0.06 2rfbB1 LEU 338 H -0.12 0.53 0.14 -0.55 8.37 8.37 2rfbB1 LEU 338 HA -0.03 -0.02 0.50 -0.75 4.35 4.05 2rfbB1 LEU 338 HB2 -0.07 0.09 -0.11 -0.04 1.64 1.50 2rfbB1 LEU 338 HB3 -0.05 -0.05 -0.12 -0.04 1.64 1.37 2rfbB1 LEU 338 HG -0.03 -0.11 -0.64 -0.04 1.64 0.81 2rfbB1 LEU 338 HD13 -0.04 0.01 -0.26 -0.04 0.93 0.59 2rfbB1 LEU 338 HD23 -0.02 0.00 -0.08 -0.04 0.89 0.75 2rfbB1 ASP 339 H -0.02 0.05 0.13 -0.55 8.40 8.01 2rfbB1 ASP 339 HA -0.02 0.16 0.51 -0.75 4.63 4.52 2rfbB1 ASP 339 HB2 -0.01 -0.05 0.16 -0.04 2.71 2.77 2rfbB1 ASP 339 HB3 -0.01 -0.02 -0.04 -0.04 2.70 2.60 2rfbB1 ASN 340 H -0.03 0.02 -0.01 -0.55 8.53 7.97 2rfbB1 ASN 340 HA -0.01 -0.05 0.38 -0.75 4.76 4.33 2rfbB1 ASN 340 HB2 -0.04 0.03 0.10 -0.04 2.88 2.93 2rfbB1 ASN 340 HB3 -0.06 0.04 0.01 -0.04 2.79 2.75 2rfbB1 ASN 340 HD21 -0.10 0.04 -0.04 -0.04 7.03 6.89 2rfbB1 ASN 340 HD22 -0.07 0.06 -0.03 -0.04 7.74 7.65 2rfbB1 LYS 341 H 0.05 0.06 0.18 -0.55 8.42 8.16 2rfbB1 LYS 341 HA 0.05 0.26 0.48 -0.75 4.32 4.35 2rfbB1 LYS 341 HB2 0.17 -0.07 0.14 -0.04 1.87 2.07 2rfbB1 LYS 341 HB3 0.39 -0.01 -0.01 -0.04 1.79 2.12 2rfbB1 LYS 341 HG2 0.12 -0.01 0.06 -0.04 1.46 1.58 2rfbB1 LYS 341 HG3 0.06 0.14 0.07 -0.04 1.46 1.69 2rfbB1 LYS 341 HD2 0.08 -0.04 0.02 -0.04 1.69 1.71 2rfbB1 LYS 341 HD3 0.05 -0.02 0.00 -0.04 1.68 1.67 2rfbB1 LYS 341 HE2 0.03 0.02 0.00 -0.04 2.99 3.00 2rfbB1 LYS 341 HE3 0.02 -0.04 -0.00 -0.04 2.99 2.92 2rfbB1 MET 342 H -0.15 0.01 -0.36 -0.55 8.47 7.43 2rfbB1 MET 342 HA -1.40 0.04 0.41 -0.75 4.52 2.82 2rfbB1 MET 342 HB2 -0.56 -0.05 0.05 -0.04 2.15 1.55 2rfbB1 MET 342 HB3 -0.33 0.02 -0.00 -0.04 2.03 1.68 2rfbB1 MET 342 HG2 -0.45 -0.01 0.11 -0.04 2.63 2.23 2rfbB1 MET 342 HG3 -1.24 0.07 0.17 -0.04 2.56 1.53 2rfbB1 MET 342 HE3 -0.17 0.05 0.10 -0.04 2.10 2.04 2rfbB1 VAL 343 H -0.13 0.42 -0.39 -0.55 8.24 7.58 2rfbB1 VAL 343 HA -0.13 0.21 1.11 -0.75 4.13 4.57 2rfbB1 VAL 343 HB -0.09 0.10 0.02 -0.04 2.12 2.12 2rfbB1 VAL 343 HG13 -0.14 -0.04 -0.23 -0.04 0.97 0.52 2rfbB1 VAL 343 HG23 -0.09 -0.04 -0.20 -0.04 0.95 0.58 2rfbB1 LEU 344 H -0.06 0.58 0.23 -0.55 8.37 8.57 2rfbB1 LEU 344 HA -0.10 0.13 0.84 -0.75 4.35 4.47 2rfbB1 LEU 344 HB2 -0.03 -0.02 -0.14 -0.04 1.64 1.41 2rfbB1 LEU 344 HB3 -0.02 0.24 -0.07 -0.04 1.64 1.75 2rfbB1 LEU 344 HG -0.16 -0.03 -0.31 -0.04 1.64 1.09 2rfbB1 LEU 344 HD13 -0.16 -0.02 0.02 -0.04 0.93 0.73 2rfbB1 LEU 344 HD23 0.00 -0.02 -0.13 -0.04 0.89 0.71 2rfbB1 GLY 345 H -0.19 0.31 0.18 -0.55 8.43 8.18 2rfbB1 GLY 345 HA2 -0.09 0.11 0.41 -0.51 4.01 3.93 2rfbB1 GLY 345 HA3 -0.05 0.08 0.29 -0.51 4.01 3.82 2rfbB1 TYR 346 H 0.15 0.20 0.11 -0.55 8.29 8.20 2rfbB1 TYR 346 HA -0.02 0.16 0.97 -0.75 4.56 4.91 2rfbB1 TYR 346 HB2 -0.05 -0.06 -0.05 -0.04 3.06 2.85 2rfbB1 TYR 346 HB3 -0.05 0.07 -0.23 -0.04 2.98 2.73 2rfbB1 TYR 346 HD2 -0.05 0.05 -0.14 -0.04 7.15 6.97 2rfbB1 TYR 346 HE2 -0.07 0.04 -0.21 -0.04 6.85 6.57 2rfbB1 ASP 347 H 0.05 0.41 0.09 -0.55 8.40 8.41 2rfbB1 ASP 347 HA 0.02 0.12 0.70 -0.75 4.63 4.71 2rfbB1 ASP 347 HB2 0.01 -0.01 -0.07 -0.04 2.71 2.60 2rfbB1 ASP 347 HB3 0.05 0.02 0.02 -0.04 2.70 2.75 2rfbB1 LYS 348 H 0.11 0.36 0.19 -0.55 8.42 8.53 2rfbB1 LYS 348 HA -0.06 0.05 0.77 -0.75 4.32 4.32 2rfbB1 LYS 348 HB2 0.13 0.02 0.10 -0.04 1.87 2.07 2rfbB1 LYS 348 HB3 0.16 -0.00 -0.06 -0.04 1.79 1.85 2rfbB1 LYS 348 HG2 0.04 0.16 -0.19 -0.04 1.46 1.43 2rfbB1 LYS 348 HG3 0.13 0.06 -0.08 -0.04 1.46 1.52 2rfbB1 LYS 348 HD2 0.55 0.06 -0.02 -0.04 1.69 2.24 2rfbB1 LYS 348 HD3 -0.14 -0.15 0.04 -0.04 1.68 1.39 2rfbB1 LYS 348 HE2 0.06 0.04 0.00 -0.04 2.99 3.05 2rfbB1 LYS 348 HE3 0.17 0.04 -0.00 -0.04 2.99 3.15 2rfbB1 LEU 349 H -0.29 0.01 0.04 -0.55 8.37 7.58 2rfbB1 LEU 349 HA -0.21 0.26 0.78 -0.75 4.35 4.43 2rfbB1 LEU 349 HB2 -0.29 0.04 -0.18 -0.04 1.64 1.17 2rfbB1 LEU 349 HB3 -0.26 -0.19 0.18 -0.04 1.64 1.33 2rfbB1 LEU 349 HG -0.52 0.04 -0.04 -0.04 1.64 1.08 2rfbB1 LEU 349 HD13 -0.32 0.00 -0.24 -0.04 0.93 0.33 2rfbB1 LEU 349 HD23 -0.96 0.03 -0.05 -0.04 0.89 -0.14 2rfbB1 PHE 350 H 0.09 0.25 -0.03 -0.55 8.34 8.10 2rfbB1 PHE 350 HA -0.08 0.21 0.87 -0.75 4.62 4.86 2rfbB1 PHE 350 HB2 -0.07 -0.03 0.13 -0.04 3.15 3.14 2rfbB1 PHE 350 HB3 -0.05 0.12 -0.02 -0.04 3.06 3.07 2rfbB1 PHE 350 HD2 -0.03 0.28 -0.12 -0.04 7.28 7.38 2rfbB1 PHE 350 HE2 -0.00 0.02 -0.04 -0.04 7.38 7.32 2rfbB1 PHE 350 HZ -0.00 0.01 -0.01 -0.04 7.32 7.27 2rfbB1 LEU 351 H -0.06 0.18 0.07 -0.55 8.37 8.01 2rfbB1 LEU 351 HA -0.16 0.13 0.84 -0.75 4.35 4.41 2rfbB1 LEU 351 HB2 -0.34 -0.01 -0.02 -0.04 1.64 1.23 2rfbB1 LEU 351 HB3 -0.39 -0.14 0.20 -0.04 1.64 1.26 2rfbB1 LEU 351 HG -0.27 0.22 -0.18 -0.04 1.64 1.36 2rfbB1 LEU 351 HD13 -0.46 -0.00 -0.12 -0.04 0.93 0.31 2rfbB1 LEU 351 HD23 -0.65 -0.03 0.03 -0.04 0.89 0.20 2rfbB1 SER 352 H -0.06 0.09 0.10 -0.55 8.46 8.04 2rfbB1 SER 352 HA 0.09 0.01 0.26 -0.75 4.49 4.09 2rfbB1 SER 352 HB2 0.05 -0.05 -0.13 -0.04 3.95 3.78 2rfbB1 SER 352 HB3 0.01 0.16 0.09 -0.04 3.93 4.16