============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. PHE 11 1.000 -42.814 -10.208 63.066 -99.200 -91.000 PHE 16 1.000 -38.529 -1.441 58.185 -99.200 -91.000 TYR 17 0.840 -41.547 -2.950 64.983 -99.200 -91.000 PHE 29 1.000 -33.167 -2.423 75.488 -99.200 -91.000 PHE 31 1.000 -33.232 -0.096 69.884 -99.200 -91.000 TRP 41 1.040 -37.032 6.960 72.037 -99.200 -91.000 TRP6 41 1.020 -38.746 5.521 72.797 -99.200 -91.000 HIS 56 0.900 -37.777 -7.163 74.914 -99.200 -91.000 TYR 58 0.840 -29.815 0.794 80.045 -99.200 -91.000 TYR 66 0.840 -25.820 4.305 84.056 -99.200 -91.000 TYR 77 0.840 -40.013 10.427 68.008 -99.200 -91.000 PHE 85 1.000 -32.890 8.842 83.283 -99.200 -91.000 PHE 86 1.000 -29.821 13.352 75.827 -99.200 -91.000 TYR 100 0.840 -24.793 7.127 69.630 -99.200 -91.000 PHE 102 1.000 -28.676 4.682 76.887 -99.200 -91.000 PHE 111 1.000 -44.641 6.692 70.218 -99.200 -91.000 TYR 115 0.840 -43.849 2.462 74.018 -99.200 -91.000 PHE 120 1.000 -42.450 1.345 68.576 -99.200 -91.000 TRP 128 1.040 -27.764 14.114 57.568 -99.200 -91.000 TRP6 128 1.020 -25.603 14.456 56.664 -99.200 -91.000 PHE 154 1.000 -28.364 5.178 57.091 -99.200 -91.000 PHE 156 1.000 -33.202 1.441 56.691 -99.200 -91.000 TYR 157 0.840 -33.684 -6.130 49.570 -99.200 -91.000 HIS 161 0.900 -47.358 -9.958 55.993 -99.200 -91.000 HIS 164 0.900 -37.662 -9.215 50.049 -99.200 -91.000 PHE 167 1.000 -30.159 -9.008 55.030 -99.200 -91.000 PHE 177 1.000 -28.637 -5.787 50.387 -99.200 -91.000 TYR 178 0.840 -27.475 -1.549 43.619 -99.200 -91.000 TYR 184 0.840 -24.683 7.937 45.290 -99.200 -91.000 HIS 189 0.900 -31.455 23.295 54.733 -99.200 -91.000 TYR 192 0.840 -36.119 16.875 59.158 -99.200 -91.000 TRP 193 1.040 -30.691 10.709 56.184 -99.200 -91.000 TRP6 193 1.020 -28.561 10.749 55.176 -99.200 -91.000 HIS 200 0.900 -46.879 15.021 35.709 -99.200 -91.000 PHE 226 1.000 -49.411 16.685 44.359 -99.200 -91.000 PHE 241 1.000 -63.348 1.331 63.931 -99.200 -91.000 PHE 244 1.000 -53.390 4.428 55.934 -99.200 -91.000 TYR 245 0.840 -59.060 9.879 52.159 -99.200 -91.000 PHE 257 1.000 -47.910 8.993 44.942 -99.200 -91.000 PHE 259 1.000 -42.424 11.819 44.236 -99.200 -91.000 TYR 266 0.840 -35.249 8.704 41.645 -99.200 -91.000 TYR 272 0.840 -43.935 -1.023 43.825 -99.200 -91.000 TYR 273 0.840 -50.730 4.305 45.428 -99.200 -91.000 HIS 276 0.900 -55.219 -6.479 47.589 -99.200 -91.000 PHE 294 1.000 -43.355 18.275 56.265 -99.200 -91.000 PHE 299 1.000 -45.024 15.786 47.072 -99.200 -91.000 PHE 305 1.000 -39.008 6.511 46.467 -99.200 -91.000 TYR 309 0.840 -37.658 3.469 42.863 -99.200 -91.000 PHE 310 1.000 -29.545 -0.813 48.266 -99.200 -91.000 PHE 313 1.000 -31.407 6.722 53.727 -99.200 -91.000 TYR 315 0.840 -24.733 10.196 58.161 -99.200 -91.000 HIS 318 0.900 -22.132 16.354 53.562 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2r9bB1 SER 1 HA -0.03 0.03 0.23 -0.75 4.49 3.95 2r9bB1 SER 1 HB2 -0.04 -0.09 0.05 -0.04 3.95 3.83 2r9bB1 SER 1 HB3 -0.03 0.03 -0.06 -0.04 3.93 3.83 2r9bB1 SER 2 H -0.02 0.12 0.05 -0.55 8.46 8.07 2r9bB1 SER 2 HA -0.00 0.15 0.65 -0.75 4.49 4.54 2r9bB1 SER 2 HB2 0.00 0.01 0.17 -0.04 3.95 4.09 2r9bB1 SER 2 HB3 -0.01 -0.02 0.08 -0.04 3.93 3.94 2r9bB1 ASN 3 H 0.00 0.17 -0.53 -0.55 8.53 7.62 2r9bB1 ASN 3 HA 0.02 0.20 0.86 -0.75 4.76 5.08 2r9bB1 ASN 3 HB2 0.04 -0.00 -0.20 -0.04 2.88 2.68 2r9bB1 ASN 3 HB3 0.05 0.16 -0.05 -0.04 2.79 2.91 2r9bB1 ASN 3 HD21 0.04 -0.06 -0.29 -0.04 7.03 6.69 2r9bB1 ASN 3 HD22 0.04 0.07 -0.24 -0.04 7.74 7.57 2r9bB1 ASP 4 H 0.02 0.44 0.25 -0.55 8.40 8.56 2r9bB1 ASP 4 HA 0.02 0.11 0.68 -0.75 4.63 4.68 2r9bB1 ASP 4 HB2 -0.00 0.10 0.11 -0.04 2.71 2.87 2r9bB1 ASP 4 HB3 -0.01 -0.13 0.21 -0.04 2.70 2.73 2r9bB1 ASN 5 H 0.05 0.23 0.22 -0.55 8.53 8.48 2r9bB1 ASN 5 HA 0.11 0.33 1.14 -0.75 4.76 5.57 2r9bB1 ASN 5 HB2 0.07 -0.00 0.13 -0.04 2.88 3.04 2r9bB1 ASN 5 HB3 0.20 0.01 -0.06 -0.04 2.79 2.89 2r9bB1 ASN 5 HD21 -0.02 0.05 -0.17 -0.04 7.03 6.85 2r9bB1 ASN 5 HD22 -0.00 0.06 -0.04 -0.04 7.74 7.71 2r9bB1 ILE 6 H 0.13 0.74 0.39 -0.55 8.25 8.96 2r9bB1 ILE 6 HA 0.10 0.13 1.01 -0.75 4.18 4.67 2r9bB1 ILE 6 HB 0.04 -0.05 0.20 -0.04 1.89 2.03 2r9bB1 ILE 6 HG12 -0.02 0.01 -0.01 -0.04 1.49 1.43 2r9bB1 ILE 6 HG13 0.03 -0.01 0.04 -0.04 1.21 1.23 2r9bB1 ILE 6 HG23 0.06 0.04 0.01 -0.04 0.93 1.00 2r9bB1 ILE 6 HD13 -0.01 -0.04 -0.40 -0.04 0.88 0.39 2r9bB1 GLU 7 H 0.09 0.12 0.20 -0.55 8.60 8.45 2r9bB1 GLU 7 HA -0.26 0.26 0.72 -0.75 4.29 4.25 2r9bB1 GLU 7 HB2 0.02 0.01 0.12 -0.04 2.09 2.20 2r9bB1 GLU 7 HB3 0.01 -0.06 0.16 -0.04 1.99 2.06 2r9bB1 GLU 7 HG2 -0.06 -0.07 -0.23 -0.04 2.34 1.93 2r9bB1 GLU 7 HG3 -0.25 0.10 0.07 -0.04 2.34 2.21 2r9bB1 LEU 8 H -0.30 0.63 0.25 -0.55 8.37 8.40 2r9bB1 LEU 8 HA 0.03 0.34 1.06 -0.75 4.35 5.02 2r9bB1 LEU 8 HB2 -0.18 -0.14 0.03 -0.04 1.64 1.31 2r9bB1 LEU 8 HB3 -0.06 0.06 -0.02 -0.04 1.64 1.57 2r9bB1 LEU 8 HG 0.03 0.01 -0.42 -0.04 1.64 1.22 2r9bB1 LEU 8 HD13 0.10 0.01 -0.24 -0.04 0.93 0.77 2r9bB1 LEU 8 HD23 0.29 0.03 -0.24 -0.04 0.89 0.93 2r9bB1 VAL 9 H -0.07 0.42 0.30 -0.55 8.24 8.34 2r9bB1 VAL 9 HA -0.18 0.15 0.96 -0.75 4.13 4.31 2r9bB1 VAL 9 HB -0.38 -0.01 0.07 -0.04 2.12 1.76 2r9bB1 VAL 9 HG13 -0.44 -0.00 -0.12 -0.04 0.97 0.37 2r9bB1 VAL 9 HG23 -0.06 0.01 -0.17 -0.04 0.95 0.70 2r9bB1 ASP 10 H -0.20 0.22 0.05 -0.55 8.40 7.92 2r9bB1 ASP 10 HA -0.26 0.10 0.94 -0.75 4.63 4.66 2r9bB1 ASP 10 HB2 -0.17 0.03 -0.20 -0.04 2.71 2.32 2r9bB1 ASP 10 HB3 -0.11 -0.05 -0.10 -0.04 2.70 2.40 2r9bB1 PHE 11 H -0.28 0.14 0.03 -0.55 8.34 7.67 2r9bB1 PHE 11 HA -0.12 0.10 0.61 -0.75 4.62 4.46 2r9bB1 PHE 11 HB2 -0.08 0.02 0.23 -0.04 3.15 3.28 2r9bB1 PHE 11 HB3 -0.06 -0.01 0.16 -0.04 3.06 3.11 2r9bB1 PHE 11 HD2 0.03 0.05 -0.04 -0.04 7.28 7.27 2r9bB1 PHE 11 HE2 0.06 0.02 -0.04 -0.04 7.38 7.38 2r9bB1 PHE 11 HZ 0.04 0.01 -0.04 -0.04 7.32 7.29 2r9bB1 GLN 12 H 0.09 0.07 0.14 -0.55 8.47 8.22 2r9bB1 GLN 12 HA -0.15 0.11 0.47 -0.75 4.36 4.03 2r9bB1 GLN 12 HB2 -0.01 0.03 0.12 -0.04 2.15 2.25 2r9bB1 GLN 12 HB3 0.00 0.05 0.15 -0.04 2.02 2.18 2r9bB1 GLN 12 HG2 -0.01 -0.45 -0.30 -0.04 2.40 1.59 2r9bB1 GLN 12 HG3 0.03 0.10 -0.02 -0.04 2.39 2.47 2r9bB1 GLN 12 HE21 0.18 0.04 0.04 -0.04 6.97 7.18 2r9bB1 GLN 12 HE22 0.09 0.06 0.00 -0.04 7.69 7.81 2r9bB1 ASN 13 H -0.06 0.14 0.08 -0.55 8.53 8.14 2r9bB1 ASN 13 HA -0.07 0.20 0.52 -0.75 4.76 4.65 2r9bB1 ASN 13 HB2 -0.02 0.01 0.06 -0.04 2.88 2.89 2r9bB1 ASN 13 HB3 -0.01 0.00 0.10 -0.04 2.79 2.84 2r9bB1 ASN 13 HD21 0.00 0.06 0.02 -0.04 7.03 7.07 2r9bB1 ASN 13 HD22 0.02 -0.03 -0.01 -0.04 7.74 7.67 2r9bB1 ILE 14 H -0.03 0.06 -0.59 -0.55 8.25 7.13 2r9bB1 ILE 14 HA 0.03 0.18 0.63 -0.75 4.18 4.27 2r9bB1 ILE 14 HB 0.04 -0.03 -0.03 -0.04 1.89 1.83 2r9bB1 ILE 14 HG12 0.07 -0.00 -0.05 -0.04 1.49 1.46 2r9bB1 ILE 14 HG13 0.06 0.01 -0.17 -0.04 1.21 1.06 2r9bB1 ILE 14 HG23 0.04 0.01 -0.08 -0.04 0.93 0.86 2r9bB1 ILE 14 HD13 0.10 0.00 0.03 -0.04 0.88 0.98 2r9bB1 MET 15 H -0.12 0.15 -0.11 -0.55 8.47 7.84 2r9bB1 MET 15 HA -0.15 0.06 0.32 -0.75 4.52 4.00 2r9bB1 MET 15 HB2 -0.07 0.19 -0.05 -0.04 2.15 2.19 2r9bB1 MET 15 HB3 -0.04 -0.09 -0.09 -0.04 2.03 1.76 2r9bB1 MET 15 HG2 -0.18 -0.08 -0.06 -0.04 2.63 2.27 2r9bB1 MET 15 HG3 -0.23 0.10 -0.19 -0.04 2.56 2.20 2r9bB1 MET 15 HE3 -0.11 0.03 -0.23 -0.04 2.10 1.75 2r9bB1 PHE 16 H -0.26 0.14 0.09 -0.55 8.34 7.76 2r9bB1 PHE 16 HA -0.63 0.09 0.76 -0.75 4.62 4.09 2r9bB1 PHE 16 HB2 -0.26 0.18 0.05 -0.04 3.15 3.07 2r9bB1 PHE 16 HB3 -0.25 -0.02 0.04 -0.04 3.06 2.79 2r9bB1 PHE 16 HD2 -0.13 0.06 -0.12 -0.04 7.28 7.05 2r9bB1 PHE 16 HE2 -0.09 -0.01 -0.05 -0.04 7.38 7.19 2r9bB1 PHE 16 HZ -0.54 -0.04 -0.01 -0.04 7.32 6.69 2r9bB1 TYR 17 H -0.11 0.34 0.34 -0.55 8.29 8.31 2r9bB1 TYR 17 HA -0.14 0.21 1.15 -0.75 4.56 5.02 2r9bB1 TYR 17 HB2 -0.01 -0.05 0.04 -0.04 3.06 3.00 2r9bB1 TYR 17 HB3 0.00 0.06 0.13 -0.04 2.98 3.13 2r9bB1 TYR 17 HD2 -0.10 0.05 -0.13 -0.04 7.15 6.92 2r9bB1 TYR 17 HE2 -0.07 -0.05 -0.15 -0.04 6.85 6.54 2r9bB1 GLY 18 H 0.20 0.66 0.44 -0.55 8.43 9.18 2r9bB1 GLY 18 HA2 0.13 0.25 0.84 -0.51 4.01 4.72 2r9bB1 GLY 18 HA3 0.15 0.00 0.33 -0.51 4.01 3.98 2r9bB1 ASP 19 H 0.11 0.20 0.26 -0.55 8.40 8.43 2r9bB1 ASP 19 HA 0.20 0.27 1.24 -0.75 4.63 5.58 2r9bB1 ASP 19 HB2 0.08 -0.04 0.15 -0.04 2.71 2.86 2r9bB1 ASP 19 HB3 0.09 0.06 0.10 -0.04 2.70 2.91 2r9bB1 ALA 20 H 0.31 0.60 0.42 -0.55 8.40 9.18 2r9bB1 ALA 20 HA 0.08 0.10 0.60 -0.75 4.34 4.37 2r9bB1 ALA 20 HB3 -0.05 0.02 -0.05 -0.04 1.41 1.29 2r9bB1 GLU 21 H 0.07 0.64 0.35 -0.55 8.60 9.12 2r9bB1 GLU 21 HA 0.34 0.23 1.10 -0.75 4.29 5.21 2r9bB1 GLU 21 HB2 0.09 -0.11 -0.23 -0.04 2.09 1.81 2r9bB1 GLU 21 HB3 0.07 0.12 -0.32 -0.04 1.99 1.82 2r9bB1 GLU 21 HG2 0.04 -0.04 0.05 -0.04 2.34 2.35 2r9bB1 GLU 21 HG3 0.04 0.02 -0.09 -0.04 2.34 2.27 2r9bB1 VAL 22 H 0.37 0.59 0.19 -0.55 8.24 8.85 2r9bB1 VAL 22 HA -0.08 0.20 0.90 -0.75 4.13 4.38 2r9bB1 VAL 22 HB -0.11 0.00 -0.04 -0.04 2.12 1.93 2r9bB1 VAL 22 HG13 -0.97 -0.03 -0.28 -0.04 0.97 -0.35 2r9bB1 VAL 22 HG23 -0.34 0.00 -0.31 -0.04 0.95 0.26 2r9bB1 GLY 23 H 0.03 0.60 0.10 -0.55 8.43 8.61 2r9bB1 GLY 23 HA2 0.22 -0.10 0.40 -0.51 4.01 4.02 2r9bB1 GLY 23 HA3 0.26 0.17 0.79 -0.51 4.01 4.72 2r9bB1 ASP 24 H 0.14 0.02 0.18 -0.55 8.40 8.19 2r9bB1 ASP 24 HA 0.07 0.17 0.38 -0.75 4.63 4.50 2r9bB1 ASP 24 HB2 0.09 -0.12 0.19 -0.04 2.71 2.84 2r9bB1 ASP 24 HB3 0.08 -0.11 0.16 -0.04 2.70 2.79 2r9bB1 ASN 25 H 0.09 -0.05 -0.46 -0.55 8.53 7.56 2r9bB1 ASN 25 HA 0.04 0.25 0.82 -0.75 4.76 5.11 2r9bB1 ASN 25 HB2 0.02 0.06 0.14 -0.04 2.88 3.05 2r9bB1 ASN 25 HB3 0.04 0.02 0.08 -0.04 2.79 2.88 2r9bB1 ASN 25 HD21 0.02 -0.05 -0.07 -0.04 7.03 6.89 2r9bB1 ASN 25 HD22 0.01 0.04 -0.02 -0.04 7.74 7.72 2r9bB1 GLN 26 H 0.07 0.47 -0.38 -0.55 8.47 8.08 2r9bB1 GLN 26 HA 0.06 0.04 0.11 -0.75 4.36 3.81 2r9bB1 GLN 26 HB2 0.01 0.24 0.07 -0.04 2.15 2.42 2r9bB1 GLN 26 HB3 0.01 -0.04 0.10 -0.04 2.02 2.05 2r9bB1 GLN 26 HG2 0.02 0.01 -0.37 -0.04 2.40 2.02 2r9bB1 GLN 26 HG3 0.02 -0.01 -0.11 -0.04 2.39 2.24 2r9bB1 GLN 26 HE21 0.02 -0.02 -0.13 -0.04 6.97 6.81 2r9bB1 GLN 26 HE22 0.02 0.01 -0.09 -0.04 7.69 7.58 2r9bB1 GLN 27 H 0.11 0.04 -0.14 -0.55 8.47 7.94 2r9bB1 GLN 27 HA -0.09 0.11 0.41 -0.75 4.36 4.04 2r9bB1 GLN 27 HB2 0.39 0.20 0.20 -0.04 2.15 2.90 2r9bB1 GLN 27 HB3 0.01 0.06 -0.02 -0.04 2.02 2.03 2r9bB1 GLN 27 HG2 0.02 0.09 0.01 -0.04 2.40 2.48 2r9bB1 GLN 27 HG3 0.12 -0.13 -0.01 -0.04 2.39 2.33 2r9bB1 GLN 27 HE21 -0.22 0.06 -0.14 -0.04 6.97 6.63 2r9bB1 GLN 27 HE22 0.09 -0.08 -0.09 -0.04 7.69 7.58 2r9bB1 PRO 28 HA -0.11 0.15 0.87 -0.51 4.44 4.83 2r9bB1 PRO 28 HB2 -0.23 -0.01 -0.01 -0.04 2.28 1.98 2r9bB1 PRO 28 HB3 -0.13 0.07 0.07 -0.04 2.02 1.98 2r9bB1 PRO 28 HG2 -0.57 -0.02 0.15 -0.04 2.03 1.56 2r9bB1 PRO 28 HG3 -0.25 0.03 0.09 -0.04 2.03 1.85 2r9bB1 PRO 28 HD2 -0.32 0.01 0.25 -0.04 3.68 3.58 2r9bB1 PRO 28 HD3 -0.17 0.31 0.28 -0.04 3.65 4.03 2r9bB1 PHE 29 H 0.10 0.59 0.40 -0.55 8.34 8.89 2r9bB1 PHE 29 HA -0.01 0.15 0.84 -0.75 4.62 4.84 2r9bB1 PHE 29 HB2 -0.64 -0.00 -0.09 -0.04 3.15 2.37 2r9bB1 PHE 29 HB3 -0.63 -0.07 0.04 -0.04 3.06 2.37 2r9bB1 PHE 29 HD2 0.02 0.07 -0.06 -0.04 7.28 7.26 2r9bB1 PHE 29 HE2 0.10 0.03 -0.29 -0.04 7.38 7.19 2r9bB1 PHE 29 HZ 0.27 -0.14 -0.25 -0.04 7.32 7.16 2r9bB1 THR 30 H -0.09 0.12 0.25 -0.55 8.28 8.01 2r9bB1 THR 30 HA 0.01 0.25 1.01 -0.75 4.39 4.90 2r9bB1 THR 30 HB -0.13 -0.14 0.28 -0.04 4.32 4.29 2r9bB1 THR 30 HG23 -0.14 0.04 -0.04 -0.04 1.22 1.03 2r9bB1 PHE 31 H 0.15 0.94 0.42 -0.55 8.34 9.30 2r9bB1 PHE 31 HA -0.12 0.25 0.96 -0.75 4.62 4.96 2r9bB1 PHE 31 HB2 -0.05 0.04 -0.18 -0.04 3.15 2.92 2r9bB1 PHE 31 HB3 -0.13 0.00 -0.31 -0.04 3.06 2.58 2r9bB1 PHE 31 HD2 -0.14 -0.02 -0.44 -0.04 7.28 6.64 2r9bB1 PHE 31 HE2 -0.12 0.15 -0.27 -0.04 7.38 7.10 2r9bB1 PHE 31 HZ -0.32 -0.02 -0.30 -0.04 7.32 6.63 2r9bB1 ILE 32 H -0.11 0.43 0.32 -0.55 8.25 8.34 2r9bB1 ILE 32 HA -0.09 0.25 0.81 -0.75 4.18 4.40 2r9bB1 ILE 32 HB -0.35 -0.09 0.19 -0.04 1.89 1.60 2r9bB1 ILE 32 HG12 -0.16 0.14 -0.06 -0.04 1.49 1.38 2r9bB1 ILE 32 HG13 -0.85 0.02 -0.07 -0.04 1.21 0.27 2r9bB1 ILE 32 HG23 -0.27 0.00 -0.19 -0.04 0.93 0.43 2r9bB1 ILE 32 HD13 -1.08 -0.01 -0.09 -0.04 0.88 -0.34 2r9bB1 LEU 33 H -0.12 0.30 -0.01 -0.55 8.37 8.00 2r9bB1 LEU 33 HA -0.04 0.20 0.63 -0.75 4.35 4.39 2r9bB1 LEU 33 HB2 0.29 0.02 0.10 -0.04 1.64 2.01 2r9bB1 LEU 33 HB3 0.15 0.01 -0.05 -0.04 1.64 1.72 2r9bB1 LEU 33 HG 0.09 0.02 -0.18 -0.04 1.64 1.53 2r9bB1 LEU 33 HD13 0.21 0.00 -0.12 -0.04 0.93 0.98 2r9bB1 LEU 33 HD23 -0.03 0.00 -0.24 -0.04 0.89 0.58 2r9bB1 ASP 34 H -0.04 0.54 0.05 -0.55 8.40 8.40 2r9bB1 ASP 34 HA -0.04 0.08 0.59 -0.75 4.63 4.50 2r9bB1 ASP 34 HB2 -0.07 0.11 -0.20 -0.04 2.71 2.51 2r9bB1 ASP 34 HB3 0.02 0.03 -0.04 -0.04 2.70 2.67 2r9bB1 THR 35 H 0.03 0.12 0.18 -0.55 8.28 8.05 2r9bB1 THR 35 HA 0.20 0.15 0.45 -0.75 4.39 4.43 2r9bB1 THR 35 HB 0.06 0.12 0.15 -0.04 4.32 4.61 2r9bB1 THR 35 HG23 -0.29 0.06 -0.00 -0.04 1.22 0.94 2r9bB1 GLY 36 H 0.16 -0.06 -0.33 -0.55 8.43 7.65 2r9bB1 GLY 36 HA2 0.37 0.19 0.63 -0.51 4.01 4.69 2r9bB1 GLY 36 HA3 0.23 -0.01 0.23 -0.51 4.01 3.95 2r9bB1 SER 37 H 0.21 0.21 -0.27 -0.55 8.46 8.06 2r9bB1 SER 37 HA 0.18 0.28 0.74 -0.75 4.49 4.95 2r9bB1 SER 37 HB2 0.26 -0.06 0.04 -0.04 3.95 4.16 2r9bB1 SER 37 HB3 0.35 0.08 -0.15 -0.04 3.93 4.18 2r9bB1 ALA 38 H 0.12 0.22 -0.03 -0.55 8.40 8.17 2r9bB1 ALA 38 HA 0.13 0.07 0.74 -0.75 4.34 4.52 2r9bB1 ALA 38 HB3 0.10 0.04 -0.20 -0.04 1.41 1.31 2r9bB1 ASN 39 H 0.17 0.14 0.01 -0.55 8.53 8.30 2r9bB1 ASN 39 HA 0.20 0.29 0.68 -0.75 4.76 5.17 2r9bB1 ASN 39 HB2 0.19 -0.07 -0.08 -0.04 2.88 2.89 2r9bB1 ASN 39 HB3 0.21 0.02 -0.06 -0.04 2.79 2.92 2r9bB1 ASN 39 HD21 0.26 0.31 0.14 -0.04 7.03 7.69 2r9bB1 ASN 39 HD22 0.27 -0.01 0.12 -0.04 7.74 8.08 2r9bB1 LEU 40 H 0.25 0.30 0.13 -0.55 8.37 8.50 2r9bB1 LEU 40 HA 0.02 0.32 1.06 -0.75 4.35 4.99 2r9bB1 LEU 40 HB2 -0.08 -0.01 0.00 -0.04 1.64 1.51 2r9bB1 LEU 40 HB3 0.19 0.02 0.10 -0.04 1.64 1.92 2r9bB1 LEU 40 HG 0.03 -0.08 -0.19 -0.04 1.64 1.35 2r9bB1 LEU 40 HD13 -0.31 0.03 -0.21 -0.04 0.93 0.40 2r9bB1 LEU 40 HD23 -0.29 0.00 -0.15 -0.04 0.89 0.41 2r9bB1 TRP 41 H -0.13 0.43 0.26 -0.55 7.97 7.98 2r9bB1 TRP 41 HA 0.11 0.20 1.17 -0.75 4.62 5.35 2r9bB1 TRP 41 HB2 -0.02 0.07 -0.02 -0.04 3.23 3.21 2r9bB1 TRP 41 HB3 -0.01 -0.08 -0.18 -0.04 3.23 2.92 2r9bB1 TRP 41 HD1 0.12 -0.03 -0.21 -0.04 7.22 7.05 2r9bB1 TRP 41 HE1 0.21 0.00 -0.14 -0.04 10.20 10.23 2r9bB1 TRP 41 HE3 0.01 0.01 -0.56 -0.04 7.59 7.00 2r9bB1 TRP 41 HZ2 0.09 0.01 -0.17 -0.04 7.44 7.33 2r9bB1 TRP 41 HZ3 -0.02 0.13 -0.08 -0.04 7.13 7.12 2r9bB1 TRP 41 HH2 -0.07 0.09 -0.11 -0.04 7.19 7.06 2r9bB1 VAL 42 H 0.32 0.56 0.34 -0.55 8.24 8.92 2r9bB1 VAL 42 HA -0.02 0.19 0.72 -0.75 4.13 4.27 2r9bB1 VAL 42 HB -0.51 0.17 -0.03 -0.04 2.12 1.71 2r9bB1 VAL 42 HG13 -0.68 -0.01 -0.30 -0.04 0.97 -0.07 2r9bB1 VAL 42 HG23 -0.20 -0.04 -0.14 -0.04 0.95 0.53 2r9bB1 PRO 43 HA 0.21 0.08 0.70 -0.51 4.44 4.92 2r9bB1 PRO 43 HB2 0.23 0.08 -0.01 -0.04 2.28 2.53 2r9bB1 PRO 43 HB3 0.37 -0.00 0.06 -0.04 2.02 2.42 2r9bB1 PRO 43 HG2 0.27 0.22 0.08 -0.04 2.03 2.56 2r9bB1 PRO 43 HG3 0.26 0.05 0.06 -0.04 2.03 2.36 2r9bB1 PRO 43 HD2 0.11 0.06 0.14 -0.04 3.68 3.94 2r9bB1 PRO 43 HD3 0.29 0.34 -0.05 -0.04 3.65 4.19 2r9bB1 SER 44 H 0.09 0.59 0.31 -0.55 8.46 8.92 2r9bB1 SER 44 HA 0.21 0.17 0.67 -0.75 4.49 4.79 2r9bB1 SER 44 HB2 0.00 -0.01 -0.06 -0.04 3.95 3.84 2r9bB1 SER 44 HB3 0.07 -0.04 -0.04 -0.04 3.93 3.88 2r9bB1 VAL 45 H 0.10 0.39 0.22 -0.55 8.24 8.40 2r9bB1 VAL 45 HA 0.07 0.22 0.59 -0.75 4.13 4.27 2r9bB1 VAL 45 HB 0.03 0.04 0.12 -0.04 2.12 2.28 2r9bB1 VAL 45 HG13 0.05 0.03 -0.20 -0.04 0.97 0.81 2r9bB1 VAL 45 HG23 0.01 0.02 0.01 -0.04 0.95 0.96 2r9bB1 LYS 46 H 0.10 -0.12 -0.43 -0.55 8.42 7.42 2r9bB1 LYS 46 HA 0.07 0.22 0.69 -0.75 4.32 4.55 2r9bB1 LYS 46 HB2 0.19 -0.08 -0.01 -0.04 1.87 1.93 2r9bB1 LYS 46 HB3 0.17 0.01 0.04 -0.04 1.79 1.98 2r9bB1 LYS 46 HG2 0.13 -0.08 -0.09 -0.04 1.46 1.38 2r9bB1 LYS 46 HG3 0.24 -0.01 -0.01 -0.04 1.46 1.64 2r9bB1 LYS 46 HD2 0.07 0.00 0.03 -0.04 1.69 1.75 2r9bB1 LYS 46 HD3 0.06 0.12 0.00 -0.04 1.68 1.82 2r9bB1 LYS 46 HE2 0.04 -0.04 -0.04 -0.04 2.99 2.91 2r9bB1 LYS 46 HE3 0.04 -0.02 -0.02 -0.04 2.99 2.95 2r9bB1 CYS 47 H 0.08 0.27 -0.42 -0.55 8.50 7.88 2r9bB1 CYS 47 HA 0.04 -0.04 0.66 -0.75 4.58 4.49 2r9bB1 CYS 47 HB2 0.06 0.06 0.33 -0.04 2.97 3.38 2r9bB1 CYS 47 HB3 0.08 0.23 0.16 -0.04 2.97 3.40 2r9bB1 THR 48 H 0.03 0.31 0.40 -0.55 8.28 8.47 2r9bB1 THR 48 HA 0.03 0.24 0.72 -0.75 4.39 4.62 2r9bB1 THR 48 HB 0.02 -0.03 0.12 -0.04 4.32 4.39 2r9bB1 THR 48 HG23 0.03 0.05 0.04 -0.04 1.22 1.31 2r9bB1 THR 49 H 0.03 0.06 0.09 -0.55 8.28 7.91 2r9bB1 THR 49 HA 0.02 0.21 0.64 -0.75 4.39 4.51 2r9bB1 THR 49 HB 0.04 -0.06 0.13 -0.04 4.32 4.38 2r9bB1 THR 49 HG23 0.01 -0.02 0.16 -0.04 1.22 1.33 2r9bB1 ALA 50 H 0.03 0.13 0.18 -0.55 8.40 8.19 2r9bB1 ALA 50 HA 0.02 0.19 0.32 -0.75 4.34 4.12 2r9bB1 ALA 50 HB3 0.01 0.03 0.09 -0.04 1.41 1.50 2r9bB1 GLY 51 H 0.08 -0.04 -0.19 -0.55 8.43 7.74 2r9bB1 GLY 51 HA2 -0.01 0.13 0.33 -0.51 4.01 3.95 2r9bB1 GLY 51 HA3 0.28 -0.02 0.17 -0.51 4.01 3.92 2r9bB1 CYS 52 H 0.11 0.15 -0.53 -0.55 8.50 7.68 2r9bB1 CYS 52 HA 0.13 0.12 0.40 -0.75 4.58 4.47 2r9bB1 CYS 52 HB2 0.08 0.22 -0.08 -0.04 2.97 3.15 2r9bB1 CYS 52 HB3 0.10 0.09 -0.05 -0.04 2.97 3.07 2r9bB1 LEU 53 H 0.01 0.32 -0.30 -0.55 8.37 7.86 2r9bB1 LEU 53 HA 0.00 0.04 0.24 -0.75 4.35 3.88 2r9bB1 LEU 53 HB2 -0.02 0.12 0.09 -0.04 1.64 1.79 2r9bB1 LEU 53 HB3 -0.02 -0.02 0.03 -0.04 1.64 1.60 2r9bB1 LEU 53 HG 0.01 -0.05 0.05 -0.04 1.64 1.61 2r9bB1 LEU 53 HD13 -0.00 -0.01 0.02 -0.04 0.93 0.89 2r9bB1 LEU 53 HD23 0.01 0.00 -0.01 -0.04 0.89 0.85 2r9bB1 THR 54 H -0.08 0.17 -0.55 -0.55 8.28 7.27 2r9bB1 THR 54 HA -0.07 0.21 0.95 -0.75 4.39 4.72 2r9bB1 THR 54 HB -0.11 -0.03 0.14 -0.04 4.32 4.28 2r9bB1 THR 54 HG23 -0.07 -0.02 -0.13 -0.04 1.22 0.96 2r9bB1 LYS 55 H -0.06 0.50 -0.12 -0.55 8.42 8.18 2r9bB1 LYS 55 HA -0.24 0.16 0.81 -0.75 4.32 4.29 2r9bB1 LYS 55 HB2 0.05 -0.01 0.01 -0.04 1.87 1.87 2r9bB1 LYS 55 HB3 -0.03 -0.07 0.11 -0.04 1.79 1.76 2r9bB1 LYS 55 HG2 -0.24 0.02 -0.03 -0.04 1.46 1.17 2r9bB1 LYS 55 HG3 -0.18 -0.10 -0.06 -0.04 1.46 1.07 2r9bB1 LYS 55 HD2 -0.43 0.01 -0.07 -0.04 1.69 1.16 2r9bB1 LYS 55 HD3 -0.39 0.03 -0.25 -0.04 1.68 1.03 2r9bB1 LYS 55 HE2 -0.83 -0.02 -0.10 -0.04 2.99 2.00 2r9bB1 LYS 55 HE3 -2.22 -0.18 -0.09 -0.04 2.99 0.46 2r9bB1 HIS 56 H -0.13 0.06 0.15 -0.55 8.41 7.94 2r9bB1 HIS 56 HA -0.04 0.09 0.66 -0.75 4.63 4.59 2r9bB1 HIS 56 HB2 -0.06 -0.18 0.28 -0.04 3.26 3.26 2r9bB1 HIS 56 HB3 -0.36 0.15 0.06 -0.04 3.20 3.02 2r9bB1 HIS 56 HD2 -0.09 0.03 -0.04 -0.04 6.97 6.84 2r9bB1 HIS 56 HE1 -0.07 -0.03 -0.04 -0.04 7.75 7.56 2r9bB1 LEU 57 H 0.13 0.16 0.14 -0.55 8.37 8.25 2r9bB1 LEU 57 HA 0.32 0.37 0.76 -0.75 4.35 5.05 2r9bB1 LEU 57 HB2 0.11 -0.07 -0.05 -0.04 1.64 1.59 2r9bB1 LEU 57 HB3 0.15 -0.10 -0.39 -0.04 1.64 1.25 2r9bB1 LEU 57 HG 0.10 0.18 -0.08 -0.04 1.64 1.79 2r9bB1 LEU 57 HD13 0.06 -0.00 -0.06 -0.04 0.93 0.89 2r9bB1 LEU 57 HD23 0.14 0.06 -0.38 -0.04 0.89 0.67 2r9bB1 TYR 58 H 0.42 0.55 0.22 -0.55 8.29 8.93 2r9bB1 TYR 58 HA 0.38 0.13 0.60 -0.75 4.56 4.92 2r9bB1 TYR 58 HB2 0.07 0.08 -0.07 -0.04 3.06 3.10 2r9bB1 TYR 58 HB3 0.13 -0.03 -0.01 -0.04 2.98 3.03 2r9bB1 TYR 58 HD2 0.23 0.05 -0.15 -0.04 7.15 7.23 2r9bB1 TYR 58 HE2 0.18 -0.02 -0.21 -0.04 6.85 6.76 2r9bB1 ASP 59 H -0.25 0.27 0.05 -0.55 8.40 7.93 2r9bB1 ASP 59 HA -0.22 0.11 0.90 -0.75 4.63 4.66 2r9bB1 ASP 59 HB2 -0.06 0.14 -0.08 -0.04 2.71 2.67 2r9bB1 ASP 59 HB3 -0.12 0.02 0.16 -0.04 2.70 2.72 2r9bB1 SER 60 H -0.53 0.22 0.00 -0.55 8.46 7.60 2r9bB1 SER 60 HA -0.56 0.04 0.33 -0.75 4.49 3.55 2r9bB1 SER 60 HB2 -1.95 0.04 0.06 -0.04 3.95 2.06 2r9bB1 SER 60 HB3 -0.49 0.00 0.04 -0.04 3.93 3.45 2r9bB1 SER 61 H -0.20 0.05 -0.42 -0.55 8.46 7.34 2r9bB1 SER 61 HA -0.02 0.14 0.40 -0.75 4.49 4.26 2r9bB1 SER 61 HB2 -0.01 0.05 0.10 -0.04 3.95 4.05 2r9bB1 SER 61 HB3 -0.06 -0.05 0.04 -0.04 3.93 3.82 2r9bB1 LYS 62 H -0.11 0.34 -0.46 -0.55 8.42 7.64 2r9bB1 LYS 62 HA -0.00 0.24 0.89 -0.75 4.32 4.70 2r9bB1 LYS 62 HB2 -0.05 0.06 0.06 -0.04 1.87 1.90 2r9bB1 LYS 62 HB3 -0.01 0.00 0.14 -0.04 1.79 1.88 2r9bB1 LYS 62 HG2 -0.05 -0.15 -0.28 -0.04 1.46 0.93 2r9bB1 LYS 62 HG3 -0.04 0.01 -0.02 -0.04 1.46 1.37 2r9bB1 LYS 62 HD2 -0.01 0.01 0.00 -0.04 1.69 1.65 2r9bB1 LYS 62 HD3 -0.01 0.09 -0.04 -0.04 1.68 1.68 2r9bB1 LYS 62 HE2 -0.02 -0.02 -0.10 -0.04 2.99 2.81 2r9bB1 LYS 62 HE3 -0.02 -0.01 -0.05 -0.04 2.99 2.88 2r9bB1 SER 63 H 0.03 0.40 -0.09 -0.55 8.46 8.25 2r9bB1 SER 63 HA 0.08 0.15 0.95 -0.75 4.49 4.92 2r9bB1 SER 63 HB2 0.16 0.03 0.05 -0.04 3.95 4.15 2r9bB1 SER 63 HB3 0.18 0.15 0.20 -0.04 3.93 4.42 2r9bB1 ARG 64 H 0.08 0.20 0.12 -0.55 8.46 8.31 2r9bB1 ARG 64 HA 0.08 0.13 0.35 -0.75 4.34 4.16 2r9bB1 ARG 64 HB2 0.07 -0.07 0.10 -0.04 1.90 1.95 2r9bB1 ARG 64 HB3 0.06 0.07 0.03 -0.04 1.80 1.92 2r9bB1 ARG 64 HG2 0.05 0.05 0.03 -0.04 1.67 1.76 2r9bB1 ARG 64 HG3 0.05 -0.02 0.08 -0.04 1.67 1.73 2r9bB1 ARG 64 HD2 0.04 0.02 0.01 -0.04 3.22 3.24 2r9bB1 ARG 64 HD3 0.03 0.03 0.01 -0.04 3.22 3.25 2r9bB1 THR 65 H 0.12 -0.14 -0.15 -0.55 8.28 7.57 2r9bB1 THR 65 HA 0.09 0.22 0.41 -0.75 4.39 4.35 2r9bB1 THR 65 HB 0.10 0.04 0.08 -0.04 4.32 4.50 2r9bB1 THR 65 HG23 0.07 0.02 0.03 -0.04 1.22 1.30 2r9bB1 TYR 66 H 0.29 0.20 -0.29 -0.55 8.29 7.93 2r9bB1 TYR 66 HA 0.23 0.03 0.50 -0.75 4.56 4.57 2r9bB1 TYR 66 HB2 0.24 -0.15 0.21 -0.04 3.06 3.32 2r9bB1 TYR 66 HB3 0.13 0.22 0.15 -0.04 2.98 3.44 2r9bB1 TYR 66 HD2 0.23 0.08 -0.03 -0.04 7.15 7.39 2r9bB1 TYR 66 HE2 0.15 -0.02 -0.07 -0.04 6.85 6.88 2r9bB1 GLU 67 H -0.27 0.38 0.32 -0.55 8.60 8.48 2r9bB1 GLU 67 HA -0.40 0.08 0.75 -0.75 4.29 3.96 2r9bB1 GLU 67 HB2 -0.07 0.17 -0.11 -0.04 2.09 2.05 2r9bB1 GLU 67 HB3 -0.06 -0.09 0.11 -0.04 1.99 1.90 2r9bB1 GLU 67 HG2 -0.10 0.05 -0.18 -0.04 2.34 2.07 2r9bB1 GLU 67 HG3 -0.10 0.00 0.05 -0.04 2.34 2.25 2r9bB1 LYS 68 H -0.49 0.16 0.10 -0.55 8.42 7.64 2r9bB1 LYS 68 HA -0.06 -0.07 0.44 -0.75 4.32 3.87 2r9bB1 LYS 68 HB2 0.02 -0.01 0.09 -0.04 1.87 1.92 2r9bB1 LYS 68 HB3 -0.08 0.04 0.11 -0.04 1.79 1.82 2r9bB1 LYS 68 HG2 0.01 0.08 -0.47 -0.04 1.46 1.03 2r9bB1 LYS 68 HG3 0.06 -0.05 -0.07 -0.04 1.46 1.36 2r9bB1 LYS 68 HD2 0.00 -0.02 -0.04 -0.04 1.69 1.60 2r9bB1 LYS 68 HD3 -0.02 0.04 -0.13 -0.04 1.68 1.53 2r9bB1 LYS 68 HE2 -0.02 0.00 -0.05 -0.04 2.99 2.88 2r9bB1 LYS 68 HE3 -0.04 0.05 -0.11 -0.04 2.99 2.85 2r9bB1 ASP 69 H 0.11 0.07 0.21 -0.55 8.40 8.25 2r9bB1 ASP 69 HA -0.00 0.20 0.79 -0.75 4.63 4.87 2r9bB1 ASP 69 HB2 0.02 0.06 -0.14 -0.04 2.71 2.61 2r9bB1 ASP 69 HB3 0.14 0.09 -0.23 -0.04 2.70 2.65 2r9bB1 GLY 70 H 0.21 0.63 0.23 -0.55 8.43 8.95 2r9bB1 GLY 70 HA2 -0.07 -0.00 0.39 -0.51 4.01 3.81 2r9bB1 GLY 70 HA3 -0.04 0.17 0.60 -0.51 4.01 4.23 2r9bB1 THR 71 H 0.11 0.10 -0.29 -0.55 8.28 7.65 2r9bB1 THR 71 HA 0.07 0.05 0.47 -0.75 4.39 4.22 2r9bB1 THR 71 HB 0.10 0.09 0.04 -0.04 4.32 4.51 2r9bB1 THR 71 HG23 0.02 0.02 0.02 -0.04 1.22 1.24 2r9bB1 LYS 72 H 0.07 0.09 0.26 -0.55 8.42 8.27 2r9bB1 LYS 72 HA 0.08 0.18 0.76 -0.75 4.32 4.59 2r9bB1 LYS 72 HB2 0.03 -0.05 0.15 -0.04 1.87 1.96 2r9bB1 LYS 72 HB3 0.01 0.02 0.10 -0.04 1.79 1.89 2r9bB1 LYS 72 HG2 0.06 0.05 0.10 -0.04 1.46 1.63 2r9bB1 LYS 72 HG3 0.04 0.00 0.18 -0.04 1.46 1.64 2r9bB1 LYS 72 HD2 0.01 -0.02 0.06 -0.04 1.69 1.70 2r9bB1 LYS 72 HD3 0.01 -0.01 0.04 -0.04 1.68 1.67 2r9bB1 LYS 72 HE2 0.01 -0.00 0.03 -0.04 2.99 2.98 2r9bB1 LYS 72 HE3 -0.00 0.02 0.05 -0.04 2.99 3.01 2r9bB1 VAL 73 H -0.08 0.51 0.33 -0.55 8.24 8.45 2r9bB1 VAL 73 HA -0.02 0.16 0.79 -0.75 4.13 4.31 2r9bB1 VAL 73 HB -0.15 0.08 -0.24 -0.04 2.12 1.77 2r9bB1 VAL 73 HG13 -0.61 -0.03 -0.30 -0.04 0.97 -0.00 2r9bB1 VAL 73 HG23 -0.19 0.01 -0.14 -0.04 0.95 0.59 2r9bB1 GLU 74 H -0.09 0.28 0.18 -0.55 8.60 8.42 2r9bB1 GLU 74 HA -0.19 0.15 0.92 -0.75 4.29 4.43 2r9bB1 GLU 74 HB2 -0.09 -0.00 -0.06 -0.04 2.09 1.89 2r9bB1 GLU 74 HB3 -0.09 0.00 0.02 -0.04 1.99 1.88 2r9bB1 GLU 74 HG2 -0.13 -0.01 -0.28 -0.04 2.34 1.88 2r9bB1 GLU 74 HG3 -0.15 0.06 0.03 -0.04 2.34 2.23 2r9bB1 MET 75 H -0.26 0.71 0.33 -0.55 8.47 8.69 2r9bB1 MET 75 HA -0.27 0.18 0.93 -0.75 4.52 4.60 2r9bB1 MET 75 HB2 -0.37 -0.05 0.11 -0.04 2.15 1.80 2r9bB1 MET 75 HB3 -0.60 0.01 -0.10 -0.04 2.03 1.30 2r9bB1 MET 75 HG2 -0.26 -0.05 -0.41 -0.04 2.63 1.87 2r9bB1 MET 75 HG3 -0.19 -0.04 -0.20 -0.04 2.56 2.09 2r9bB1 MET 75 HE3 0.11 -0.03 -0.13 -0.04 2.10 2.02 2r9bB1 ASN 76 H -0.31 0.24 0.12 -0.55 8.53 8.02 2r9bB1 ASN 76 HA -0.20 0.22 1.12 -0.75 4.76 5.14 2r9bB1 ASN 76 HB2 -0.12 -0.00 0.07 -0.04 2.88 2.79 2r9bB1 ASN 76 HB3 -0.10 0.08 0.03 -0.04 2.79 2.76 2r9bB1 ASN 76 HD21 -0.10 -0.03 -0.18 -0.04 7.03 6.68 2r9bB1 ASN 76 HD22 -0.11 0.07 -0.13 -0.04 7.74 7.53 2r9bB1 TYR 77 H -0.02 1.07 0.38 -0.55 8.29 9.17 2r9bB1 TYR 77 HA -0.00 0.17 0.84 -0.75 4.56 4.81 2r9bB1 TYR 77 HB2 -0.13 -0.02 0.03 -0.04 3.06 2.89 2r9bB1 TYR 77 HB3 -0.01 -0.11 0.10 -0.04 2.98 2.91 2r9bB1 TYR 77 HD2 -0.16 0.06 -0.20 -0.04 7.15 6.81 2r9bB1 TYR 77 HE2 -0.01 -0.04 -0.17 -0.04 6.85 6.58 2r9bB1 VAL 78 H 0.16 0.13 0.13 -0.55 8.24 8.11 2r9bB1 VAL 78 HA 0.02 0.12 0.42 -0.75 4.13 3.94 2r9bB1 VAL 78 HB 0.07 -0.05 0.09 -0.04 2.12 2.19 2r9bB1 VAL 78 HG13 0.00 0.02 -0.08 -0.04 0.97 0.87 2r9bB1 VAL 78 HG23 0.02 0.01 0.02 -0.04 0.95 0.95 2r9bB1 SER 79 H 0.13 -0.04 -0.18 -0.55 8.46 7.83 2r9bB1 SER 79 HA 0.10 0.22 0.63 -0.75 4.49 4.68 2r9bB1 SER 79 HB2 0.21 -0.04 -0.02 -0.04 3.95 4.05 2r9bB1 SER 79 HB3 0.25 0.03 0.05 -0.04 3.93 4.22 2r9bB1 GLY 80 H 0.11 0.12 -0.26 -0.55 8.43 7.85 2r9bB1 GLY 80 HA2 0.10 0.18 0.38 -0.51 4.01 4.16 2r9bB1 GLY 80 HA3 0.17 0.04 0.50 -0.51 4.01 4.21 2r9bB1 THR 81 H -0.00 0.66 0.11 -0.55 8.28 8.49 2r9bB1 THR 81 HA -0.14 0.32 1.04 -0.75 4.39 4.85 2r9bB1 THR 81 HB -0.06 0.01 -0.05 -0.04 4.32 4.17 2r9bB1 THR 81 HG23 -0.05 0.01 -0.04 -0.04 1.22 1.10 2r9bB1 VAL 82 H -0.28 0.49 0.33 -0.55 8.24 8.22 2r9bB1 VAL 82 HA -0.27 0.20 0.76 -0.75 4.13 4.07 2r9bB1 VAL 82 HB -0.80 -0.01 0.04 -0.04 2.12 1.31 2r9bB1 VAL 82 HG13 -0.48 -0.01 -0.17 -0.04 0.97 0.27 2r9bB1 VAL 82 HG23 -1.11 -0.01 -0.15 -0.04 0.95 -0.37 2r9bB1 SER 83 H -0.28 0.47 0.36 -0.55 8.46 8.47 2r9bB1 SER 83 HA -0.26 0.21 0.95 -0.75 4.49 4.64 2r9bB1 SER 83 HB2 -0.11 0.13 0.19 -0.04 3.95 4.12 2r9bB1 SER 83 HB3 -0.14 0.01 -0.06 -0.04 3.93 3.70 2r9bB1 GLY 84 H -0.18 0.62 0.29 -0.55 8.43 8.62 2r9bB1 GLY 84 HA2 -0.08 -0.05 0.52 -0.51 4.01 3.89 2r9bB1 GLY 84 HA3 -0.28 0.24 0.61 -0.51 4.01 4.07 2r9bB1 PHE 85 H -0.69 0.51 0.32 -0.55 8.34 7.93 2r9bB1 PHE 85 HA -0.12 0.19 0.82 -0.75 4.62 4.76 2r9bB1 PHE 85 HB2 0.01 0.04 -0.12 -0.04 3.15 3.04 2r9bB1 PHE 85 HB3 -0.03 0.04 -0.16 -0.04 3.06 2.88 2r9bB1 PHE 85 HD2 0.00 0.14 -0.15 -0.04 7.28 7.23 2r9bB1 PHE 85 HE2 0.06 -0.03 -0.03 -0.04 7.38 7.34 2r9bB1 PHE 85 HZ 0.05 -0.05 -0.01 -0.04 7.32 7.27 2r9bB1 PHE 86 H 0.23 0.60 0.16 -0.55 8.34 8.78 2r9bB1 PHE 86 HA -0.14 0.24 0.72 -0.75 4.62 4.69 2r9bB1 PHE 86 HB2 0.00 -0.08 0.13 -0.04 3.15 3.16 2r9bB1 PHE 86 HB3 -0.06 0.06 0.06 -0.04 3.06 3.07 2r9bB1 PHE 86 HD2 -0.05 0.10 -0.14 -0.04 7.28 7.16 2r9bB1 PHE 86 HE2 -0.02 0.01 -0.15 -0.04 7.38 7.18 2r9bB1 PHE 86 HZ -0.02 0.09 -0.26 -0.04 7.32 7.08 2r9bB1 SER 87 H -0.21 0.85 0.50 -0.55 8.46 9.05 2r9bB1 SER 87 HA 0.09 -0.02 0.65 -0.75 4.49 4.45 2r9bB1 SER 87 HB2 -0.98 -0.02 -0.12 -0.04 3.95 2.79 2r9bB1 SER 87 HB3 0.29 -0.02 0.06 -0.04 3.93 4.22 2r9bB1 LYS 88 H 0.12 0.35 0.27 -0.55 8.42 8.61 2r9bB1 LYS 88 HA 0.19 0.30 1.15 -0.75 4.32 5.20 2r9bB1 LYS 88 HB2 0.00 -0.03 -0.12 -0.04 1.87 1.68 2r9bB1 LYS 88 HB3 0.01 0.04 0.17 -0.04 1.79 1.97 2r9bB1 LYS 88 HG2 0.08 -0.03 -0.11 -0.04 1.46 1.36 2r9bB1 LYS 88 HG3 0.03 -0.00 -0.14 -0.04 1.46 1.31 2r9bB1 LYS 88 HD2 -0.03 -0.00 -0.08 -0.04 1.69 1.54 2r9bB1 LYS 88 HD3 -0.01 0.01 -0.06 -0.04 1.68 1.57 2r9bB1 LYS 88 HE2 -0.02 0.01 -0.06 -0.04 2.99 2.88 2r9bB1 LYS 88 HE3 0.01 -0.01 -0.09 -0.04 2.99 2.86 2r9bB1 ASP 89 H 0.36 0.70 0.38 -0.55 8.40 9.30 2r9bB1 ASP 89 HA 0.23 0.20 0.30 -0.75 4.63 4.61 2r9bB1 ASP 89 HB2 0.63 0.07 -0.36 -0.04 2.71 3.00 2r9bB1 ASP 89 HB3 0.14 0.01 -0.20 -0.04 2.70 2.62 2r9bB1 LEU 90 H 0.13 0.02 0.04 -0.55 8.37 8.02 2r9bB1 LEU 90 HA 0.07 0.20 0.46 -0.75 4.35 4.33 2r9bB1 LEU 90 HB2 0.07 0.01 -0.00 -0.04 1.64 1.68 2r9bB1 LEU 90 HB3 0.07 -0.14 -0.07 -0.04 1.64 1.46 2r9bB1 LEU 90 HG 0.03 0.10 -0.38 -0.04 1.64 1.35 2r9bB1 LEU 90 HD13 0.04 0.01 -0.27 -0.04 0.93 0.67 2r9bB1 LEU 90 HD23 0.04 0.01 -0.14 -0.04 0.89 0.76 2r9bB1 VAL 91 H 0.03 0.66 0.39 -0.55 8.24 8.77 2r9bB1 VAL 91 HA -0.08 0.19 0.95 -0.75 4.13 4.43 2r9bB1 VAL 91 HB -0.08 0.06 0.09 -0.04 2.12 2.14 2r9bB1 VAL 91 HG13 -0.24 -0.01 -0.30 -0.04 0.97 0.38 2r9bB1 VAL 91 HG23 -0.16 -0.01 -0.15 -0.04 0.95 0.59 2r9bB1 THR 92 H -0.04 0.85 0.29 -0.55 8.28 8.82 2r9bB1 THR 92 HA -0.04 0.29 1.08 -0.75 4.39 4.97 2r9bB1 THR 92 HB 0.02 -0.06 0.09 -0.04 4.32 4.32 2r9bB1 THR 92 HG23 0.01 0.01 -0.27 -0.04 1.22 0.93 2r9bB1 VAL 93 H -0.07 0.43 0.09 -0.55 8.24 8.14 2r9bB1 VAL 93 HA -0.06 0.13 0.95 -0.75 4.13 4.40 2r9bB1 VAL 93 HB -0.11 0.00 -0.07 -0.04 2.12 1.91 2r9bB1 VAL 93 HG13 -0.22 -0.01 -0.16 -0.04 0.97 0.54 2r9bB1 VAL 93 HG23 -0.13 -0.01 -0.02 -0.04 0.95 0.74 2r9bB1 GLY 94 H 0.00 0.19 0.12 -0.55 8.43 8.20 2r9bB1 GLY 94 HA2 0.03 0.08 0.36 -0.51 4.01 3.96 2r9bB1 GLY 94 HA3 0.01 -0.00 0.46 -0.51 4.01 3.97 2r9bB1 ASN 95 H 0.01 0.11 0.18 -0.55 8.53 8.29 2r9bB1 ASN 95 HA 0.01 0.21 0.83 -0.75 4.76 5.05 2r9bB1 ASN 95 HB2 0.01 0.01 0.16 -0.04 2.88 3.02 2r9bB1 ASN 95 HB3 0.02 -0.03 0.05 -0.04 2.79 2.78 2r9bB1 ASN 95 HD21 0.01 0.06 -0.12 -0.04 7.03 6.94 2r9bB1 ASN 95 HD22 0.01 -0.15 0.10 -0.04 7.74 7.66 2r9bB1 LEU 96 H -0.01 0.38 -0.22 -0.55 8.37 7.97 2r9bB1 LEU 96 HA -0.01 0.19 0.88 -0.75 4.35 4.66 2r9bB1 LEU 96 HB2 -0.04 -0.02 0.04 -0.04 1.64 1.58 2r9bB1 LEU 96 HB3 -0.02 0.06 0.03 -0.04 1.64 1.67 2r9bB1 LEU 96 HG -0.01 -0.16 -0.25 -0.04 1.64 1.18 2r9bB1 LEU 96 HD13 -0.02 -0.00 -0.06 -0.04 0.93 0.81 2r9bB1 LEU 96 HD23 -0.00 0.07 0.05 -0.04 0.89 0.96 2r9bB1 SER 97 H -0.01 0.25 0.18 -0.55 8.46 8.34 2r9bB1 SER 97 HA -0.02 0.28 1.00 -0.75 4.49 4.99 2r9bB1 SER 97 HB2 0.01 -0.01 -0.06 -0.04 3.95 3.84 2r9bB1 SER 97 HB3 0.01 -0.06 -0.07 -0.04 3.93 3.77 2r9bB1 LEU 98 H -0.00 0.46 0.23 -0.55 8.37 8.52 2r9bB1 LEU 98 HA 0.03 0.08 0.29 -0.75 4.35 3.98 2r9bB1 LEU 98 HB2 0.03 0.03 0.14 -0.04 1.64 1.80 2r9bB1 LEU 98 HB3 -0.01 0.13 -0.21 -0.04 1.64 1.51 2r9bB1 LEU 98 HG 0.10 0.02 -0.59 -0.04 1.64 1.13 2r9bB1 LEU 98 HD13 0.09 -0.01 -0.10 -0.04 0.93 0.87 2r9bB1 LEU 98 HD23 -0.15 -0.01 -0.18 -0.04 0.89 0.51 2r9bB1 PRO 99 HA 0.10 0.02 0.42 -0.51 4.44 4.47 2r9bB1 PRO 99 HB2 0.06 0.03 0.05 -0.04 2.28 2.38 2r9bB1 PRO 99 HB3 0.06 0.03 -0.00 -0.04 2.02 2.07 2r9bB1 PRO 99 HG2 0.04 0.07 0.04 -0.04 2.03 2.14 2r9bB1 PRO 99 HG3 0.05 -0.00 -0.02 -0.04 2.03 2.02 2r9bB1 PRO 99 HD2 0.05 0.14 0.20 -0.04 3.68 4.02 2r9bB1 PRO 99 HD3 0.04 0.13 0.12 -0.04 3.65 3.90 2r9bB1 TYR 100 H 0.20 0.54 0.39 -0.55 8.29 8.87 2r9bB1 TYR 100 HA 0.04 0.15 0.78 -0.75 4.56 4.78 2r9bB1 TYR 100 HB2 0.00 0.07 -0.32 -0.04 3.06 2.78 2r9bB1 TYR 100 HB3 0.05 -0.05 -0.08 -0.04 2.98 2.86 2r9bB1 TYR 100 HD2 0.03 0.05 -0.11 -0.04 7.15 7.08 2r9bB1 TYR 100 HE2 -0.00 -0.01 -0.10 -0.04 6.85 6.69 2r9bB1 LYS 101 H -0.64 0.21 0.17 -0.55 8.42 7.60 2r9bB1 LYS 101 HA 0.07 0.23 1.04 -0.75 4.32 4.90 2r9bB1 LYS 101 HB2 -0.16 -0.02 0.08 -0.04 1.87 1.74 2r9bB1 LYS 101 HB3 -0.27 -0.01 0.23 -0.04 1.79 1.71 2r9bB1 LYS 101 HG2 0.01 -0.01 -0.12 -0.04 1.46 1.30 2r9bB1 LYS 101 HG3 -0.10 -0.01 0.03 -0.04 1.46 1.34 2r9bB1 LYS 101 HD2 -0.25 -0.02 0.02 -0.04 1.69 1.40 2r9bB1 LYS 101 HD3 -0.33 0.08 0.02 -0.04 1.68 1.41 2r9bB1 LYS 101 HE2 -1.69 -0.04 -0.01 -0.04 2.99 1.21 2r9bB1 LYS 101 HE3 -0.54 -0.08 -0.01 -0.04 2.99 2.31 2r9bB1 PHE 102 H -0.00 0.50 0.33 -0.55 8.34 8.61 2r9bB1 PHE 102 HA 0.18 0.19 1.03 -0.75 4.62 5.26 2r9bB1 PHE 102 HB2 0.05 0.25 0.16 -0.04 3.15 3.57 2r9bB1 PHE 102 HB3 0.12 -0.04 -0.19 -0.04 3.06 2.90 2r9bB1 PHE 102 HD2 -0.02 0.11 -0.22 -0.04 7.28 7.11 2r9bB1 PHE 102 HE2 -0.18 -0.04 -0.41 -0.04 7.38 6.71 2r9bB1 PHE 102 HZ -0.28 -0.05 -0.25 -0.04 7.32 6.70 2r9bB1 ILE 103 H 0.25 0.54 0.31 -0.55 8.25 8.80 2r9bB1 ILE 103 HA -0.37 0.24 0.85 -0.75 4.18 4.15 2r9bB1 ILE 103 HB 0.08 -0.07 -0.07 -0.04 1.89 1.80 2r9bB1 ILE 103 HG12 -1.16 0.06 -0.32 -0.04 1.49 0.03 2r9bB1 ILE 103 HG13 -0.13 -0.02 -0.28 -0.04 1.21 0.74 2r9bB1 ILE 103 HG23 -0.36 -0.02 -0.48 -0.04 0.93 0.03 2r9bB1 ILE 103 HD13 -0.21 -0.00 -0.24 -0.04 0.88 0.39 2r9bB1 GLU 104 H -0.52 0.88 0.28 -0.55 8.60 8.69 2r9bB1 GLU 104 HA -0.01 0.22 0.84 -0.75 4.29 4.58 2r9bB1 GLU 104 HB2 -1.46 0.02 0.21 -0.04 2.09 0.81 2r9bB1 GLU 104 HB3 -0.32 -0.06 0.02 -0.04 1.99 1.58 2r9bB1 GLU 104 HG2 0.27 0.03 -0.11 -0.04 2.34 2.50 2r9bB1 GLU 104 HG3 -0.21 0.03 -0.12 -0.04 2.34 2.01 2r9bB1 VAL 105 H 0.04 0.74 0.21 -0.55 8.24 8.69 2r9bB1 VAL 105 HA -0.26 0.10 0.56 -0.75 4.13 3.77 2r9bB1 VAL 105 HB 0.04 0.07 -0.11 -0.04 2.12 2.08 2r9bB1 VAL 105 HG13 -0.36 0.01 -0.24 -0.04 0.97 0.33 2r9bB1 VAL 105 HG23 -0.89 -0.00 -0.29 -0.04 0.95 -0.27 2r9bB1 ILE 106 H -0.13 0.39 0.53 -0.55 8.25 8.50 2r9bB1 ILE 106 HA 0.01 0.14 1.00 -0.75 4.18 4.58 2r9bB1 ILE 106 HB 0.05 0.11 0.02 -0.04 1.89 2.03 2r9bB1 ILE 106 HG12 -0.01 -0.00 0.13 -0.04 1.49 1.56 2r9bB1 ILE 106 HG13 0.00 -0.02 -0.26 -0.04 1.21 0.89 2r9bB1 ILE 106 HG23 0.10 -0.01 -0.22 -0.04 0.93 0.76 2r9bB1 ILE 106 HD13 0.14 0.02 -0.03 -0.04 0.88 0.96 2r9bB1 ASP 107 H -0.13 0.50 0.25 -0.55 8.40 8.48 2r9bB1 ASP 107 HA -0.03 0.09 1.07 -0.75 4.63 4.99 2r9bB1 ASP 107 HB2 -0.04 0.09 -0.03 -0.04 2.71 2.68 2r9bB1 ASP 107 HB3 -0.09 -0.03 0.19 -0.04 2.70 2.73 2r9bB1 THR 108 H -0.02 0.09 0.14 -0.55 8.28 7.94 2r9bB1 THR 108 HA -0.14 0.32 1.03 -0.75 4.39 4.84 2r9bB1 THR 108 HB -0.13 0.08 0.03 -0.04 4.32 4.27 2r9bB1 THR 108 HG23 -0.15 0.04 -0.23 -0.04 1.22 0.85 2r9bB1 ASN 109 H -0.01 0.04 0.08 -0.55 8.53 8.10 2r9bB1 ASN 109 HA 0.03 0.03 0.36 -0.75 4.76 4.43 2r9bB1 ASN 109 HB2 -0.00 -0.01 0.09 -0.04 2.88 2.92 2r9bB1 ASN 109 HB3 0.01 0.11 0.01 -0.04 2.79 2.89 2r9bB1 ASN 109 HD21 0.01 0.05 0.06 -0.04 7.03 7.10 2r9bB1 ASN 109 HD22 0.00 0.06 0.04 -0.04 7.74 7.80 2r9bB1 GLY 110 H -0.00 0.07 -0.47 -0.55 8.43 7.47 2r9bB1 GLY 110 HA2 0.04 0.15 0.64 -0.51 4.01 4.33 2r9bB1 GLY 110 HA3 0.00 -0.00 0.35 -0.51 4.01 3.85 2r9bB1 PHE 111 H 0.15 0.51 -0.25 -0.55 8.34 8.20 2r9bB1 PHE 111 HA 0.04 0.18 0.92 -0.75 4.62 5.01 2r9bB1 PHE 111 HB2 -0.07 0.18 -0.11 -0.04 3.15 3.10 2r9bB1 PHE 111 HB3 -0.10 -0.01 0.10 -0.04 3.06 3.02 2r9bB1 PHE 111 HD2 -0.04 0.09 -0.03 -0.04 7.28 7.26 2r9bB1 PHE 111 HE2 0.39 0.03 -0.19 -0.04 7.38 7.57 2r9bB1 PHE 111 HZ 0.25 0.01 -0.15 -0.04 7.32 7.39 2r9bB1 GLU 112 H 0.11 0.29 -0.02 -0.55 8.60 8.43 2r9bB1 GLU 112 HA -0.00 -0.06 0.74 -0.75 4.29 4.22 2r9bB1 GLU 112 HB2 0.04 0.14 0.10 -0.04 2.09 2.33 2r9bB1 GLU 112 HB3 0.02 0.02 0.13 -0.04 1.99 2.12 2r9bB1 GLU 112 HG2 0.07 0.01 -0.11 -0.04 2.34 2.27 2r9bB1 GLU 112 HG3 0.04 -0.01 0.00 -0.04 2.34 2.34 2r9bB1 PRO 113 HA -0.01 0.00 0.35 -0.51 4.44 4.27 2r9bB1 PRO 113 HB2 -0.01 0.05 0.09 -0.04 2.28 2.37 2r9bB1 PRO 113 HB3 -0.00 0.04 0.11 -0.04 2.02 2.13 2r9bB1 PRO 113 HG2 -0.01 0.05 -0.10 -0.04 2.03 1.93 2r9bB1 PRO 113 HG3 -0.01 0.07 0.06 -0.04 2.03 2.11 2r9bB1 PRO 113 HD2 0.02 0.15 0.29 -0.04 3.68 4.09 2r9bB1 PRO 113 HD3 0.01 0.11 0.22 -0.04 3.65 3.96 2r9bB1 THR 114 H -0.02 0.23 -0.32 -0.55 8.28 7.63 2r9bB1 THR 114 HA -0.04 0.05 0.31 -0.75 4.39 3.95 2r9bB1 THR 114 HB -0.30 0.13 0.04 -0.04 4.32 4.15 2r9bB1 THR 114 HG23 0.04 -0.01 -0.08 -0.04 1.22 1.13 2r9bB1 TYR 115 H -0.28 0.66 0.14 -0.55 8.29 8.27 2r9bB1 TYR 115 HA -0.61 0.04 0.26 -0.75 4.56 3.50 2r9bB1 TYR 115 HB2 -0.56 0.11 0.07 -0.04 3.06 2.64 2r9bB1 TYR 115 HB3 -0.20 -0.20 -0.02 -0.04 2.98 2.52 2r9bB1 TYR 115 HD2 -0.33 -0.15 -0.11 -0.04 7.15 6.52 2r9bB1 TYR 115 HE2 -0.11 -0.01 -0.27 -0.04 6.85 6.41 2r9bB1 THR 116 H -0.08 -0.06 -0.14 -0.55 8.28 7.45 2r9bB1 THR 116 HA -0.31 0.13 0.37 -0.75 4.39 3.82 2r9bB1 THR 116 HB -0.07 0.01 0.05 -0.04 4.32 4.26 2r9bB1 THR 116 HG23 -0.09 0.02 -0.08 -0.04 1.22 1.03 2r9bB1 ALA 117 H -0.11 0.27 -0.28 -0.55 8.40 7.73 2r9bB1 ALA 117 HA -0.07 -0.03 0.39 -0.75 4.34 3.88 2r9bB1 ALA 117 HB3 -0.03 -0.04 0.09 -0.04 1.41 1.39 2r9bB1 SER 118 H -0.11 0.66 0.07 -0.55 8.46 8.54 2r9bB1 SER 118 HA 0.08 -0.07 0.32 -0.75 4.49 4.06 2r9bB1 SER 118 HB2 -0.11 0.10 0.03 -0.04 3.95 3.93 2r9bB1 SER 118 HB3 0.46 -0.16 0.06 -0.04 3.93 4.25 2r9bB1 THR 119 H 0.23 0.03 0.04 -0.55 8.28 8.03 2r9bB1 THR 119 HA -0.21 0.39 0.99 -0.75 4.39 4.81 2r9bB1 THR 119 HB -0.00 -0.02 0.20 -0.04 4.32 4.46 2r9bB1 THR 119 HG23 -0.01 0.03 -0.09 -0.04 1.22 1.10 2r9bB1 PHE 120 H -0.61 0.26 -0.13 -0.55 8.34 7.30 2r9bB1 PHE 120 HA -0.51 0.13 0.80 -0.75 4.62 4.28 2r9bB1 PHE 120 HB2 -0.55 0.08 -0.05 -0.04 3.15 2.60 2r9bB1 PHE 120 HB3 -1.49 -0.01 -0.16 -0.04 3.06 1.36 2r9bB1 PHE 120 HD2 -0.17 0.01 -0.25 -0.04 7.28 6.84 2r9bB1 PHE 120 HE2 0.18 -0.04 -0.19 -0.04 7.38 7.28 2r9bB1 PHE 120 HZ 0.18 -0.05 -0.16 -0.04 7.32 7.25 2r9bB1 ASP 121 H -0.18 0.33 0.32 -0.55 8.40 8.32 2r9bB1 ASP 121 HA -0.10 0.14 0.74 -0.75 4.63 4.66 2r9bB1 ASP 121 HB2 -0.15 -0.05 0.30 -0.04 2.71 2.77 2r9bB1 ASP 121 HB3 0.11 0.13 0.20 -0.04 2.70 3.11 2r9bB1 GLY 122 H -0.35 0.34 0.23 -0.55 8.43 8.11 2r9bB1 GLY 122 HA2 -1.17 0.15 0.76 -0.51 4.01 3.24 2r9bB1 GLY 122 HA3 -0.75 0.21 0.41 -0.51 4.01 3.37 2r9bB1 ILE 123 H -1.32 0.31 0.26 -0.55 8.25 6.96 2r9bB1 ILE 123 HA -0.18 0.10 1.02 -0.75 4.18 4.36 2r9bB1 ILE 123 HB -0.39 -0.06 0.01 -0.04 1.89 1.40 2r9bB1 ILE 123 HG12 -0.29 0.07 -0.11 -0.04 1.49 1.13 2r9bB1 ILE 123 HG13 -0.30 -0.04 -0.47 -0.04 1.21 0.37 2r9bB1 ILE 123 HG23 -0.06 0.01 -0.12 -0.04 0.93 0.71 2r9bB1 ILE 123 HD13 -0.14 -0.01 -0.15 -0.04 0.88 0.55 2r9bB1 LEU 124 H -0.09 0.76 0.26 -0.55 8.37 8.74 2r9bB1 LEU 124 HA -0.19 0.09 0.92 -0.75 4.35 4.42 2r9bB1 LEU 124 HB2 -0.68 -0.01 -0.22 -0.04 1.64 0.68 2r9bB1 LEU 124 HB3 -0.24 -0.03 0.05 -0.04 1.64 1.37 2r9bB1 LEU 124 HG -0.42 -0.01 -0.09 -0.04 1.64 1.08 2r9bB1 LEU 124 HD13 -0.62 -0.00 -0.19 -0.04 0.93 0.08 2r9bB1 LEU 124 HD23 -0.25 0.04 -0.33 -0.04 0.89 0.30 2r9bB1 GLY 125 H 0.02 0.55 -0.03 -0.55 8.43 8.42 2r9bB1 GLY 125 HA2 0.06 0.12 0.48 -0.51 4.01 4.17 2r9bB1 GLY 125 HA3 0.10 -0.19 0.02 -0.51 4.01 3.43 2r9bB1 LEU 126 H 0.10 0.62 0.32 -0.55 8.37 8.86 2r9bB1 LEU 126 HA -0.05 0.06 0.74 -0.75 4.35 4.35 2r9bB1 LEU 126 HB2 -0.08 -0.07 -0.20 -0.04 1.64 1.25 2r9bB1 LEU 126 HB3 -0.60 -0.03 0.13 -0.04 1.64 1.10 2r9bB1 LEU 126 HG -0.21 0.12 -0.56 -0.04 1.64 0.95 2r9bB1 LEU 126 HD13 -0.40 -0.01 -0.23 -0.04 0.93 0.24 2r9bB1 LEU 126 HD23 -0.56 -0.01 -0.06 -0.04 0.89 0.22 2r9bB1 GLY 127 H 0.20 0.17 0.00 -0.55 8.43 8.25 2r9bB1 GLY 127 HA2 0.59 0.18 0.74 -0.51 4.01 5.01 2r9bB1 GLY 127 HA3 0.27 0.05 0.21 -0.51 4.01 4.03 2r9bB1 TRP 128 H 0.27 0.32 0.07 -0.55 7.97 8.08 2r9bB1 TRP 128 HA 0.17 0.17 0.82 -0.75 4.62 5.03 2r9bB1 TRP 128 HB2 -0.19 0.12 -0.16 -0.04 3.23 2.96 2r9bB1 TRP 128 HB3 -0.06 -0.02 -0.01 -0.04 3.23 3.10 2r9bB1 TRP 128 HD1 -0.97 0.01 -0.30 -0.04 7.22 5.91 2r9bB1 TRP 128 HE1 -3.38 0.02 -0.20 -0.04 10.20 6.59 2r9bB1 TRP 128 HE3 0.06 -0.04 0.05 -0.04 7.59 7.62 2r9bB1 TRP 128 HZ2 -0.50 0.02 -0.09 -0.04 7.44 6.82 2r9bB1 TRP 128 HZ3 0.09 0.04 0.04 -0.04 7.13 7.26 2r9bB1 TRP 128 HH2 -0.48 0.18 0.18 -0.04 7.19 7.03 2r9bB1 LYS 129 H 0.26 0.14 0.16 -0.55 8.42 8.43 2r9bB1 LYS 129 HA 0.09 0.24 0.32 -0.75 4.32 4.21 2r9bB1 LYS 129 HB2 0.09 -0.01 0.13 -0.04 1.87 2.04 2r9bB1 LYS 129 HB3 0.13 -0.04 0.11 -0.04 1.79 1.95 2r9bB1 LYS 129 HG2 0.04 0.01 -0.28 -0.04 1.46 1.18 2r9bB1 LYS 129 HG3 0.03 0.06 -0.32 -0.04 1.46 1.19 2r9bB1 LYS 129 HD2 0.03 -0.03 -0.10 -0.04 1.69 1.55 2r9bB1 LYS 129 HD3 0.05 0.01 -0.07 -0.04 1.68 1.62 2r9bB1 LYS 129 HE2 -0.00 -0.00 -0.15 -0.04 2.99 2.79 2r9bB1 LYS 129 HE3 -0.01 0.00 -0.40 -0.04 2.99 2.54 2r9bB1 ASP 130 H 0.12 0.13 -0.04 -0.55 8.40 8.06 2r9bB1 ASP 130 HA 0.01 0.03 0.36 -0.75 4.63 4.28 2r9bB1 ASP 130 HB2 -0.02 0.08 0.14 -0.04 2.71 2.86 2r9bB1 ASP 130 HB3 -0.04 0.00 0.02 -0.04 2.70 2.65 2r9bB1 LEU 131 H 0.02 0.15 -0.39 -0.55 8.37 7.61 2r9bB1 LEU 131 HA -0.11 0.02 0.41 -0.75 4.35 3.91 2r9bB1 LEU 131 HB2 -0.23 -0.02 0.04 -0.04 1.64 1.39 2r9bB1 LEU 131 HB3 0.00 0.21 0.06 -0.04 1.64 1.87 2r9bB1 LEU 131 HG -0.02 -0.13 -0.25 -0.04 1.64 1.21 2r9bB1 LEU 131 HD13 -0.30 0.00 0.02 -0.04 0.93 0.61 2r9bB1 LEU 131 HD23 -0.05 0.03 -0.24 -0.04 0.89 0.59 2r9bB1 SER 132 H 0.04 0.35 -0.20 -0.55 8.46 8.11 2r9bB1 SER 132 HA 0.06 -0.13 0.23 -0.75 4.49 3.90 2r9bB1 SER 132 HB2 0.09 0.05 0.14 -0.04 3.95 4.19 2r9bB1 SER 132 HB3 0.08 0.02 0.13 -0.04 3.93 4.12 2r9bB1 ILE 133 H 0.11 0.20 0.09 -0.55 8.25 8.11 2r9bB1 ILE 133 HA 0.05 0.16 0.86 -0.75 4.18 4.50 2r9bB1 ILE 133 HB 0.14 -0.07 0.08 -0.04 1.89 2.01 2r9bB1 ILE 133 HG12 0.02 0.07 0.04 -0.04 1.49 1.58 2r9bB1 ILE 133 HG13 0.01 0.03 -0.21 -0.04 1.21 1.00 2r9bB1 ILE 133 HG23 0.21 -0.01 -0.09 -0.04 0.93 1.00 2r9bB1 ILE 133 HD13 -0.04 -0.03 0.08 -0.04 0.88 0.84 2r9bB1 GLY 134 H 0.00 0.16 0.10 -0.55 8.43 8.15 2r9bB1 GLY 134 HA2 -0.18 0.03 0.27 -0.51 4.01 3.62 2r9bB1 GLY 134 HA3 -0.43 0.13 0.55 -0.51 4.01 3.75 2r9bB1 SER 135 H -0.04 0.05 -0.15 -0.55 8.46 7.78 2r9bB1 SER 135 HA -0.02 0.06 0.17 -0.75 4.49 3.95 2r9bB1 SER 135 HB2 -0.08 0.06 -0.08 -0.04 3.95 3.81 2r9bB1 SER 135 HB3 -0.04 -0.01 0.03 -0.04 3.93 3.87 2r9bB1 VAL 136 H -0.02 0.14 -0.20 -0.55 8.24 7.62 2r9bB1 VAL 136 HA -0.13 0.16 0.93 -0.75 4.13 4.34 2r9bB1 VAL 136 HB 0.01 -0.02 0.05 -0.04 2.12 2.12 2r9bB1 VAL 136 HG13 -0.28 0.04 -0.06 -0.04 0.97 0.63 2r9bB1 VAL 136 HG23 -0.12 0.01 -0.17 -0.04 0.95 0.63 2r9bB1 ASP 137 H -0.06 0.15 0.10 -0.55 8.40 8.03 2r9bB1 ASP 137 HA 0.01 0.02 0.46 -0.75 4.63 4.36 2r9bB1 ASP 137 HB2 0.02 0.00 0.06 -0.04 2.71 2.74 2r9bB1 ASP 137 HB3 -0.03 -0.00 0.04 -0.04 2.70 2.67 2r9bB1 PRO 138 HA 0.06 0.13 0.36 -0.51 4.44 4.48 2r9bB1 PRO 138 HB2 -0.45 -0.24 0.04 -0.04 2.28 1.59 2r9bB1 PRO 138 HB3 -0.01 0.15 0.03 -0.04 2.02 2.16 2r9bB1 PRO 138 HG2 -0.16 -0.03 0.15 -0.04 2.03 1.95 2r9bB1 PRO 138 HG3 0.05 0.20 0.01 -0.04 2.03 2.26 2r9bB1 PRO 138 HD2 -0.14 0.04 0.23 -0.04 3.68 3.77 2r9bB1 PRO 138 HD3 0.01 0.15 0.24 -0.04 3.65 4.01 2r9bB1 ILE 139 H -0.10 0.23 0.09 -0.55 8.25 7.92 2r9bB1 ILE 139 HA -0.21 0.13 0.35 -0.75 4.18 3.69 2r9bB1 ILE 139 HB -0.27 -0.06 0.07 -0.04 1.89 1.60 2r9bB1 ILE 139 HG12 -1.17 0.04 -0.03 -0.04 1.49 0.29 2r9bB1 ILE 139 HG13 -0.43 0.03 0.02 -0.04 1.21 0.79 2r9bB1 ILE 139 HG23 -0.26 0.02 -0.23 -0.04 0.93 0.41 2r9bB1 ILE 139 HD13 -0.45 0.01 -0.12 -0.04 0.88 0.28 2r9bB1 VAL 140 H -0.16 0.14 -0.14 -0.55 8.24 7.53 2r9bB1 VAL 140 HA -0.08 0.09 0.23 -0.75 4.13 3.62 2r9bB1 VAL 140 HB 0.04 -0.00 -0.09 -0.04 2.12 2.03 2r9bB1 VAL 140 HG13 0.15 0.00 -0.24 -0.04 0.97 0.84 2r9bB1 VAL 140 HG23 -0.10 0.01 -0.05 -0.04 0.95 0.77 2r9bB1 VAL 141 H -0.32 0.10 -0.55 -0.55 8.24 6.91 2r9bB1 VAL 141 HA -0.24 0.03 0.44 -0.75 4.13 3.60 2r9bB1 VAL 141 HB -0.24 0.16 0.09 -0.04 2.12 2.09 2r9bB1 VAL 141 HG13 -0.13 -0.00 -0.08 -0.04 0.97 0.71 2r9bB1 VAL 141 HG23 -0.93 -0.03 0.02 -0.04 0.95 -0.03 2r9bB1 GLU 142 H -0.07 0.56 -0.08 -0.55 8.60 8.47 2r9bB1 GLU 142 HA -0.02 -0.02 0.40 -0.75 4.29 3.90 2r9bB1 GLU 142 HB2 0.05 0.13 0.13 -0.04 2.09 2.36 2r9bB1 GLU 142 HB3 0.04 0.02 -0.04 -0.04 1.99 1.97 2r9bB1 GLU 142 HG2 0.02 -0.06 0.03 -0.04 2.34 2.29 2r9bB1 GLU 142 HG3 0.07 0.01 -0.05 -0.04 2.34 2.33 2r9bB1 LEU 143 H -0.06 0.67 -0.15 -0.55 8.37 8.29 2r9bB1 LEU 143 HA -0.02 0.05 0.27 -0.75 4.35 3.90 2r9bB1 LEU 143 HB2 -0.05 0.05 -0.03 -0.04 1.64 1.56 2r9bB1 LEU 143 HB3 -0.03 -0.01 -0.16 -0.04 1.64 1.39 2r9bB1 LEU 143 HG -0.08 0.07 -0.12 -0.04 1.64 1.46 2r9bB1 LEU 143 HD13 -0.09 -0.03 -0.20 -0.04 0.93 0.57 2r9bB1 LEU 143 HD23 -0.04 0.01 -0.12 -0.04 0.89 0.69 2r9bB1 LYS 144 H -0.04 0.35 -0.57 -0.55 8.42 7.60 2r9bB1 LYS 144 HA -0.00 0.06 0.42 -0.75 4.32 4.04 2r9bB1 LYS 144 HB2 -0.02 0.07 0.06 -0.04 1.87 1.93 2r9bB1 LYS 144 HB3 -0.03 0.03 0.14 -0.04 1.79 1.89 2r9bB1 LYS 144 HG2 0.01 0.16 -0.28 -0.04 1.46 1.31 2r9bB1 LYS 144 HG3 0.01 -0.23 -0.14 -0.04 1.46 1.07 2r9bB1 LYS 144 HD2 0.01 -0.04 -0.21 -0.04 1.69 1.40 2r9bB1 LYS 144 HD3 0.01 0.02 -0.22 -0.04 1.68 1.45 2r9bB1 LYS 144 HE2 0.03 -0.14 0.00 -0.04 2.99 2.84 2r9bB1 LYS 144 HE3 0.02 -0.01 -0.01 -0.04 2.99 2.95 2r9bB1 ASN 145 H -0.02 0.49 0.11 -0.55 8.53 8.56 2r9bB1 ASN 145 HA 0.00 0.01 0.45 -0.75 4.76 4.47 2r9bB1 ASN 145 HB2 -0.01 0.06 0.17 -0.04 2.88 3.06 2r9bB1 ASN 145 HB3 -0.00 -0.03 0.06 -0.04 2.79 2.78 2r9bB1 ASN 145 HD21 -0.02 -0.07 -0.04 -0.04 7.03 6.86 2r9bB1 ASN 145 HD22 -0.01 -0.01 -0.01 -0.04 7.74 7.66 2r9bB1 GLN 146 H -0.01 0.60 -0.21 -0.55 8.47 8.31 2r9bB1 GLN 146 HA 0.00 0.01 0.33 -0.75 4.36 3.95 2r9bB1 GLN 146 HB2 -0.00 0.06 0.02 -0.04 2.15 2.19 2r9bB1 GLN 146 HB3 0.00 -0.03 0.14 -0.04 2.02 2.09 2r9bB1 GLN 146 HG2 0.01 -0.05 0.02 -0.04 2.40 2.34 2r9bB1 GLN 146 HG3 0.00 -0.02 0.04 -0.04 2.39 2.37 2r9bB1 GLN 146 HE21 0.04 -0.00 -0.05 -0.04 6.97 6.92 2r9bB1 GLN 146 HE22 0.02 -0.04 -0.02 -0.04 7.69 7.61 2r9bB1 ASN 147 H 0.00 0.52 -1.05 -0.55 8.53 7.46 2r9bB1 ASN 147 HA 0.01 0.06 0.33 -0.75 4.76 4.40 2r9bB1 ASN 147 HB2 0.01 -0.00 -0.18 -0.04 2.88 2.67 2r9bB1 ASN 147 HB3 0.00 0.11 0.07 -0.04 2.79 2.94 2r9bB1 ASN 147 HD21 0.01 -0.08 0.05 -0.04 7.03 6.97 2r9bB1 ASN 147 HD22 0.01 0.04 0.22 -0.04 7.74 7.97 2r9bB1 LYS 148 H -0.00 0.59 -0.07 -0.55 8.42 8.38 2r9bB1 LYS 148 HA 0.00 0.17 0.85 -0.75 4.32 4.58 2r9bB1 LYS 148 HB2 -0.01 0.06 0.07 -0.04 1.87 1.95 2r9bB1 LYS 148 HB3 -0.01 -0.11 0.10 -0.04 1.79 1.73 2r9bB1 LYS 148 HG2 0.00 0.03 -0.07 -0.04 1.46 1.37 2r9bB1 LYS 148 HG3 -0.00 0.07 -0.20 -0.04 1.46 1.29 2r9bB1 LYS 148 HD2 -0.01 -0.06 0.02 -0.04 1.69 1.60 2r9bB1 LYS 148 HD3 -0.00 -0.07 0.07 -0.04 1.68 1.64 2r9bB1 LYS 148 HE2 0.00 -0.00 0.03 -0.04 2.99 2.98 2r9bB1 LYS 148 HE3 0.01 -0.02 0.03 -0.04 2.99 2.96 2r9bB1 ILE 149 H 0.00 0.25 -0.03 -0.55 8.25 7.93 2r9bB1 ILE 149 HA 0.01 0.19 0.66 -0.75 4.18 4.28 2r9bB1 ILE 149 HB 0.02 -0.07 0.07 -0.04 1.89 1.87 2r9bB1 ILE 149 HG12 -0.00 -0.06 -0.49 -0.04 1.49 0.90 2r9bB1 ILE 149 HG13 0.01 0.02 -0.31 -0.04 1.21 0.89 2r9bB1 ILE 149 HG23 -0.01 -0.01 -0.32 -0.04 0.93 0.55 2r9bB1 ILE 149 HD13 0.01 -0.01 0.02 -0.04 0.88 0.86 2r9bB1 GLU 150 H 0.02 0.20 0.17 -0.55 8.60 8.44 2r9bB1 GLU 150 HA 0.02 0.05 0.40 -0.75 4.29 4.00 2r9bB1 GLU 150 HB2 0.03 0.29 0.29 -0.04 2.09 2.65 2r9bB1 GLU 150 HB3 0.03 -0.08 0.04 -0.04 1.99 1.94 2r9bB1 GLU 150 HG2 0.02 0.06 0.11 -0.04 2.34 2.48 2r9bB1 GLU 150 HG3 0.02 -0.03 0.05 -0.04 2.34 2.34 2r9bB1 ASN 151 H 0.04 0.27 0.12 -0.55 8.53 8.41 2r9bB1 ASN 151 HA 0.04 0.23 0.88 -0.75 4.76 5.15 2r9bB1 ASN 151 HB2 0.06 -0.06 -0.17 -0.04 2.88 2.67 2r9bB1 ASN 151 HB3 0.06 -0.10 -0.05 -0.04 2.79 2.66 2r9bB1 ASN 151 HD21 0.05 0.01 -0.08 -0.04 7.03 6.96 2r9bB1 ASN 151 HD22 0.05 0.15 -0.06 -0.04 7.74 7.84 2r9bB1 ALA 152 H 0.06 0.15 0.05 -0.55 8.40 8.12 2r9bB1 ALA 152 HA 0.05 0.28 0.69 -0.75 4.34 4.61 2r9bB1 ALA 152 HB3 0.02 -0.01 0.14 -0.04 1.41 1.51 2r9bB1 LEU 153 H 0.11 0.47 -0.26 -0.55 8.37 8.15 2r9bB1 LEU 153 HA 0.16 0.28 0.88 -0.75 4.35 4.92 2r9bB1 LEU 153 HB2 -0.02 0.05 -0.18 -0.04 1.64 1.45 2r9bB1 LEU 153 HB3 0.09 -0.10 -0.22 -0.04 1.64 1.36 2r9bB1 LEU 153 HG 0.08 -0.05 -0.33 -0.04 1.64 1.29 2r9bB1 LEU 153 HD13 0.05 -0.02 -0.58 -0.04 0.93 0.33 2r9bB1 LEU 153 HD23 0.08 0.00 -0.23 -0.04 0.89 0.71 2r9bB1 PHE 154 H -0.32 0.50 0.30 -0.55 8.34 8.27 2r9bB1 PHE 154 HA -0.05 0.29 0.91 -0.75 4.62 5.01 2r9bB1 PHE 154 HB2 -0.20 0.07 0.03 -0.04 3.15 3.02 2r9bB1 PHE 154 HB3 -0.07 -0.07 -0.09 -0.04 3.06 2.79 2r9bB1 PHE 154 HD2 -0.22 -0.00 -0.21 -0.04 7.28 6.80 2r9bB1 PHE 154 HE2 -0.37 0.01 -0.05 -0.04 7.38 6.93 2r9bB1 PHE 154 HZ -0.77 0.11 0.07 -0.04 7.32 6.69 2r9bB1 THR 155 H 0.03 0.55 0.40 -0.55 8.28 8.71 2r9bB1 THR 155 HA -0.21 0.29 1.30 -0.75 4.39 5.01 2r9bB1 THR 155 HB -0.52 0.13 0.08 -0.04 4.32 3.97 2r9bB1 THR 155 HG23 -0.05 -0.05 -0.20 -0.04 1.22 0.88 2r9bB1 PHE 156 H -0.12 0.50 0.38 -0.55 8.34 8.55 2r9bB1 PHE 156 HA 0.04 0.27 1.08 -0.75 4.62 5.25 2r9bB1 PHE 156 HB2 0.09 -0.03 0.15 -0.04 3.15 3.31 2r9bB1 PHE 156 HB3 0.02 0.06 0.02 -0.04 3.06 3.11 2r9bB1 PHE 156 HD2 -0.04 0.02 -0.05 -0.04 7.28 7.17 2r9bB1 PHE 156 HE2 0.03 -0.05 -0.09 -0.04 7.38 7.23 2r9bB1 PHE 156 HZ -0.02 -0.01 -0.07 -0.04 7.32 7.18 2r9bB1 TYR 157 H 0.23 0.50 0.15 -0.55 8.29 8.62 2r9bB1 TYR 157 HA 0.20 0.19 0.75 -0.75 4.56 4.94 2r9bB1 TYR 157 HB2 -0.27 -0.04 0.01 -0.04 3.06 2.72 2r9bB1 TYR 157 HB3 -0.30 -0.12 0.23 -0.04 2.98 2.75 2r9bB1 TYR 157 HD2 0.17 -0.13 0.07 -0.04 7.15 7.22 2r9bB1 TYR 157 HE2 0.01 0.09 -0.01 -0.04 6.85 6.90 2r9bB1 LEU 158 H -0.16 0.29 -0.04 -0.55 8.37 7.92 2r9bB1 LEU 158 HA -0.40 -0.07 0.33 -0.75 4.35 3.46 2r9bB1 LEU 158 HB2 -0.26 0.10 -0.03 -0.04 1.64 1.40 2r9bB1 LEU 158 HB3 -0.52 0.03 0.02 -0.04 1.64 1.13 2r9bB1 LEU 158 HG -0.14 0.23 -0.10 -0.04 1.64 1.58 2r9bB1 LEU 158 HD13 -0.12 -0.01 -0.14 -0.04 0.93 0.62 2r9bB1 LEU 158 HD23 -0.45 -0.07 -0.10 -0.04 0.89 0.24 2r9bB1 PRO 159 HA -0.21 0.33 0.30 -0.51 4.44 4.35 2r9bB1 PRO 159 HB2 -0.21 -0.02 -0.04 -0.04 2.28 1.96 2r9bB1 PRO 159 HB3 -0.21 -0.05 0.01 -0.04 2.02 1.73 2r9bB1 PRO 159 HG2 -0.38 0.02 -0.15 -0.04 2.03 1.47 2r9bB1 PRO 159 HG3 -0.36 -0.06 -0.37 -0.04 2.03 1.19 2r9bB1 PRO 159 HD2 -1.10 0.05 0.13 -0.04 3.68 2.72 2r9bB1 PRO 159 HD3 -0.53 0.03 0.09 -0.04 3.65 3.20 2r9bB1 VAL 160 H -0.53 0.54 0.29 -0.55 8.24 7.99 2r9bB1 VAL 160 HA -0.17 0.14 0.85 -0.75 4.13 4.20 2r9bB1 VAL 160 HB -0.53 -0.10 0.18 -0.04 2.12 1.63 2r9bB1 VAL 160 HG13 -0.10 0.03 -0.07 -0.04 0.97 0.80 2r9bB1 VAL 160 HG23 -0.18 0.04 -0.12 -0.04 0.95 0.66 2r9bB1 HIS 161 H 0.02 0.14 0.06 -0.55 8.41 8.08 2r9bB1 HIS 161 HA -0.06 0.10 0.39 -0.75 4.63 4.31 2r9bB1 HIS 161 HB2 -0.03 0.02 0.05 -0.04 3.26 3.26 2r9bB1 HIS 161 HB3 -0.03 -0.03 0.08 -0.04 3.20 3.17 2r9bB1 HIS 161 HD2 0.04 -0.14 0.19 -0.04 6.97 7.02 2r9bB1 HIS 161 HE1 0.02 -0.08 -0.04 -0.04 7.75 7.60 2r9bB1 ASP 162 H 0.20 0.13 0.22 -0.55 8.40 8.41 2r9bB1 ASP 162 HA -0.02 -0.04 0.36 -0.75 4.63 4.18 2r9bB1 ASP 162 HB2 -0.45 0.14 -0.11 -0.04 2.71 2.26 2r9bB1 ASP 162 HB3 -0.18 -0.02 0.24 -0.04 2.70 2.70 2r9bB1 LYS 163 H -0.07 0.24 -0.17 -0.55 8.42 7.86 2r9bB1 LYS 163 HA -0.02 0.12 0.83 -0.75 4.32 4.49 2r9bB1 LYS 163 HB2 -0.19 0.02 0.10 -0.04 1.87 1.76 2r9bB1 LYS 163 HB3 -0.01 -0.01 0.07 -0.04 1.79 1.79 2r9bB1 LYS 163 HG2 -0.06 0.14 -0.04 -0.04 1.46 1.46 2r9bB1 LYS 163 HG3 -0.09 0.15 -0.24 -0.04 1.46 1.24 2r9bB1 LYS 163 HD2 -0.00 -0.05 0.03 -0.04 1.69 1.64 2r9bB1 LYS 163 HD3 -0.04 -0.06 0.00 -0.04 1.68 1.55 2r9bB1 LYS 163 HE2 -0.06 -0.01 -0.01 -0.04 2.99 2.87 2r9bB1 LYS 163 HE3 0.00 0.06 0.04 -0.04 2.99 3.05 2r9bB1 HIS 164 H -0.34 0.35 0.32 -0.55 8.41 8.20 2r9bB1 HIS 164 HA 0.04 0.08 0.82 -0.75 4.63 4.82 2r9bB1 HIS 164 HB2 0.13 -0.04 0.17 -0.04 3.26 3.47 2r9bB1 HIS 164 HB3 0.07 0.03 -0.03 -0.04 3.20 3.23 2r9bB1 HIS 164 HD2 0.06 0.08 0.10 -0.04 6.97 7.17 2r9bB1 HIS 164 HE1 -0.45 0.31 -0.02 -0.04 7.75 7.55 2r9bB1 THR 165 H 0.13 0.07 0.19 -0.55 8.28 8.12 2r9bB1 THR 165 HA -0.07 0.03 0.66 -0.75 4.39 4.25 2r9bB1 THR 165 HB -0.17 0.18 0.33 -0.04 4.32 4.63 2r9bB1 THR 165 HG23 -0.01 -0.03 0.08 -0.04 1.22 1.21 2r9bB1 GLY 166 H -0.21 0.58 0.41 -0.55 8.43 8.66 2r9bB1 GLY 166 HA2 0.15 0.34 0.86 -0.51 4.01 4.85 2r9bB1 GLY 166 HA3 -0.15 -0.01 0.35 -0.51 4.01 3.69 2r9bB1 PHE 167 H 0.16 0.53 0.27 -0.55 8.34 8.75 2r9bB1 PHE 167 HA 0.06 0.28 0.90 -0.75 4.62 5.11 2r9bB1 PHE 167 HB2 -0.20 -0.02 -0.02 -0.04 3.15 2.87 2r9bB1 PHE 167 HB3 0.03 -0.02 -0.15 -0.04 3.06 2.87 2r9bB1 PHE 167 HD2 0.20 0.00 -0.22 -0.04 7.28 7.22 2r9bB1 PHE 167 HE2 0.12 -0.02 -0.11 -0.04 7.38 7.33 2r9bB1 PHE 167 HZ 0.09 -0.03 -0.05 -0.04 7.32 7.28 2r9bB1 LEU 168 H 0.14 0.66 0.33 -0.55 8.37 8.95 2r9bB1 LEU 168 HA -0.28 0.29 0.98 -0.75 4.35 4.59 2r9bB1 LEU 168 HB2 -0.14 0.01 0.06 -0.04 1.64 1.53 2r9bB1 LEU 168 HB3 -0.03 -0.05 0.21 -0.04 1.64 1.73 2r9bB1 LEU 168 HG -0.19 -0.04 -0.25 -0.04 1.64 1.11 2r9bB1 LEU 168 HD13 -0.76 0.03 -0.04 -0.04 0.93 0.11 2r9bB1 LEU 168 HD23 -0.23 -0.02 -0.09 -0.04 0.89 0.52 2r9bB1 THR 169 H -0.06 0.56 0.25 -0.55 8.28 8.49 2r9bB1 THR 169 HA 0.06 0.40 1.14 -0.75 4.39 5.24 2r9bB1 THR 169 HB 0.14 -0.10 0.17 -0.04 4.32 4.49 2r9bB1 THR 169 HG23 0.14 -0.01 -0.20 -0.04 1.22 1.11 2r9bB1 ILE 170 H 0.02 0.80 0.36 -0.55 8.25 8.88 2r9bB1 ILE 170 HA 0.08 0.11 1.04 -0.75 4.18 4.65 2r9bB1 ILE 170 HB -0.01 0.00 0.19 -0.04 1.89 2.03 2r9bB1 ILE 170 HG12 -0.10 -0.03 -0.08 -0.04 1.49 1.23 2r9bB1 ILE 170 HG13 -0.08 0.01 -0.18 -0.04 1.21 0.92 2r9bB1 ILE 170 HG23 -0.01 -0.00 -0.10 -0.04 0.93 0.78 2r9bB1 ILE 170 HD13 -0.13 -0.00 -0.11 -0.04 0.88 0.60 2r9bB1 GLY 171 H 0.09 0.73 0.43 -0.55 8.43 9.13 2r9bB1 GLY 171 HA2 0.06 0.25 0.49 -0.51 4.01 4.30 2r9bB1 GLY 171 HA3 0.04 0.07 0.61 -0.51 4.01 4.21 2r9bB1 GLY 172 H 0.08 0.24 -0.33 -0.55 8.43 7.87 2r9bB1 GLY 172 HA2 0.08 0.04 0.45 -0.51 4.01 4.06 2r9bB1 GLY 172 HA3 0.07 0.10 0.12 -0.51 4.01 3.79 2r9bB1 ILE 173 H 0.11 0.18 -0.01 -0.55 8.25 7.99 2r9bB1 ILE 173 HA 0.26 0.14 0.60 -0.75 4.18 4.42 2r9bB1 ILE 173 HB 0.16 0.00 0.06 -0.04 1.89 2.08 2r9bB1 ILE 173 HG12 0.10 0.03 -0.23 -0.04 1.49 1.36 2r9bB1 ILE 173 HG13 0.12 -0.08 -0.19 -0.04 1.21 1.02 2r9bB1 ILE 173 HG23 0.31 0.01 -0.30 -0.04 0.93 0.91 2r9bB1 ILE 173 HD13 0.16 0.01 -0.15 -0.04 0.88 0.86 2r9bB1 GLU 174 H 0.36 0.24 0.02 -0.55 8.60 8.67 2r9bB1 GLU 174 HA -0.00 0.15 0.81 -0.75 4.29 4.50 2r9bB1 GLU 174 HB2 0.06 0.04 0.07 -0.04 2.09 2.22 2r9bB1 GLU 174 HB3 -0.37 -0.06 -0.02 -0.04 1.99 1.50 2r9bB1 GLU 174 HG2 -0.08 0.02 -0.08 -0.04 2.34 2.15 2r9bB1 GLU 174 HG3 0.05 -0.04 -0.37 -0.04 2.34 1.93 2r9bB1 GLU 175 H -0.08 0.23 0.09 -0.55 8.60 8.29 2r9bB1 GLU 175 HA -0.41 0.08 0.27 -0.75 4.29 3.47 2r9bB1 GLU 175 HB2 -0.21 -0.00 0.03 -0.04 2.09 1.87 2r9bB1 GLU 175 HB3 -0.39 0.08 0.03 -0.04 1.99 1.67 2r9bB1 GLU 175 HG2 0.03 0.01 -0.06 -0.04 2.34 2.27 2r9bB1 GLU 175 HG3 -0.02 0.01 0.04 -0.04 2.34 2.33 2r9bB1 ARG 176 H -0.40 0.00 -0.42 -0.55 8.46 7.09 2r9bB1 ARG 176 HA -0.37 0.08 0.37 -0.75 4.34 3.67 2r9bB1 ARG 176 HB2 -0.56 0.03 0.00 -0.04 1.90 1.33 2r9bB1 ARG 176 HB3 -0.41 -0.02 0.05 -0.04 1.80 1.37 2r9bB1 ARG 176 HG2 -0.71 -0.20 -0.17 -0.04 1.67 0.56 2r9bB1 ARG 176 HG3 -1.88 0.10 -0.19 -0.04 1.67 -0.34 2r9bB1 ARG 176 HD2 -0.44 -0.01 -0.04 -0.04 3.22 2.69 2r9bB1 ARG 176 HD3 -0.62 -0.00 -0.07 -0.04 3.22 2.49 2r9bB1 PHE 177 H -0.52 0.30 -0.48 -0.55 8.34 7.09 2r9bB1 PHE 177 HA -0.57 0.15 0.47 -0.75 4.62 3.92 2r9bB1 PHE 177 HB2 -1.10 0.04 0.01 -0.04 3.15 2.06 2r9bB1 PHE 177 HB3 -0.70 0.00 0.02 -0.04 3.06 2.34 2r9bB1 PHE 177 HD2 -0.60 0.05 -0.03 -0.04 7.28 6.66 2r9bB1 PHE 177 HE2 -0.10 -0.01 -0.09 -0.04 7.38 7.14 2r9bB1 PHE 177 HZ -0.43 -0.00 -0.12 -0.04 7.32 6.73 2r9bB1 TYR 178 H -0.45 0.31 -0.12 -0.55 8.29 7.49 2r9bB1 TYR 178 HA -0.04 0.03 1.06 -0.75 4.56 4.86 2r9bB1 TYR 178 HB2 0.05 0.18 0.06 -0.04 3.06 3.31 2r9bB1 TYR 178 HB3 -0.08 -0.06 -0.31 -0.04 2.98 2.50 2r9bB1 TYR 178 HD2 -0.33 0.05 -0.23 -0.04 7.15 6.60 2r9bB1 TYR 178 HE2 0.02 -0.02 -0.32 -0.04 6.85 6.49 2r9bB1 GLU 179 H 0.22 0.62 0.26 -0.55 8.60 9.15 2r9bB1 GLU 179 HA -0.11 0.07 0.61 -0.75 4.29 4.11 2r9bB1 GLU 179 HB2 -0.00 -0.09 0.06 -0.04 2.09 2.02 2r9bB1 GLU 179 HB3 -0.05 0.08 -0.04 -0.04 1.99 1.94 2r9bB1 GLU 179 HG2 0.05 0.07 -0.23 -0.04 2.34 2.19 2r9bB1 GLU 179 HG3 0.05 -0.03 -0.14 -0.04 2.34 2.18 2r9bB1 GLY 180 H 0.02 0.05 0.13 -0.55 8.43 8.08 2r9bB1 GLY 180 HA2 0.07 -0.02 0.38 -0.51 4.01 3.93 2r9bB1 GLY 180 HA3 0.10 0.14 0.59 -0.51 4.01 4.34 2r9bB1 PRO 181 HA 0.15 0.04 0.53 -0.51 4.44 4.64 2r9bB1 PRO 181 HB2 0.09 0.07 -0.04 -0.04 2.28 2.35 2r9bB1 PRO 181 HB3 0.08 -0.01 0.09 -0.04 2.02 2.14 2r9bB1 PRO 181 HG2 0.09 0.06 0.09 -0.04 2.03 2.23 2r9bB1 PRO 181 HG3 0.06 0.03 0.09 -0.04 2.03 2.18 2r9bB1 PRO 181 HD2 0.09 0.12 0.28 -0.04 3.68 4.13 2r9bB1 PRO 181 HD3 0.07 0.08 0.21 -0.04 3.65 3.96 2r9bB1 LEU 182 H 0.14 0.12 0.12 -0.55 8.37 8.20 2r9bB1 LEU 182 HA -0.02 0.28 0.70 -0.75 4.35 4.56 2r9bB1 LEU 182 HB2 -0.03 0.04 -0.07 -0.04 1.64 1.54 2r9bB1 LEU 182 HB3 0.09 -0.05 0.10 -0.04 1.64 1.74 2r9bB1 LEU 182 HG -0.40 -0.07 -0.31 -0.04 1.64 0.82 2r9bB1 LEU 182 HD13 -0.36 0.04 -0.47 -0.04 0.93 0.10 2r9bB1 LEU 182 HD23 -0.06 -0.02 -0.17 -0.04 0.89 0.60 2r9bB1 THR 183 H 0.02 0.71 0.24 -0.55 8.28 8.69 2r9bB1 THR 183 HA 0.12 0.13 0.88 -0.75 4.39 4.76 2r9bB1 THR 183 HB 0.21 -0.03 0.11 -0.04 4.32 4.56 2r9bB1 THR 183 HG23 0.09 0.02 -0.36 -0.04 1.22 0.93 2r9bB1 TYR 184 H 0.30 0.15 0.13 -0.55 8.29 8.33 2r9bB1 TYR 184 HA -0.03 0.17 0.66 -0.75 4.56 4.60 2r9bB1 TYR 184 HB2 0.01 -0.01 0.06 -0.04 3.06 3.09 2r9bB1 TYR 184 HB3 0.01 0.03 -0.17 -0.04 2.98 2.81 2r9bB1 TYR 184 HD2 -0.00 0.05 -0.20 -0.04 7.15 6.96 2r9bB1 TYR 184 HE2 -0.02 -0.01 -0.16 -0.04 6.85 6.62 2r9bB1 GLU 185 H 0.04 0.70 0.34 -0.55 8.60 9.13 2r9bB1 GLU 185 HA 0.07 0.09 0.94 -0.75 4.29 4.63 2r9bB1 GLU 185 HB2 -0.03 -0.02 0.12 -0.04 2.09 2.12 2r9bB1 GLU 185 HB3 0.02 0.02 0.04 -0.04 1.99 2.02 2r9bB1 GLU 185 HG2 0.02 0.11 -0.22 -0.04 2.34 2.21 2r9bB1 GLU 185 HG3 -0.00 -0.02 -0.12 -0.04 2.34 2.15 2r9bB1 LYS 186 H 0.05 0.09 0.18 -0.55 8.42 8.19 2r9bB1 LYS 186 HA 0.08 0.15 0.67 -0.75 4.32 4.47 2r9bB1 LYS 186 HB2 0.01 -0.09 0.16 -0.04 1.87 1.92 2r9bB1 LYS 186 HB3 0.01 0.19 0.11 -0.04 1.79 2.06 2r9bB1 LYS 186 HG2 0.05 -0.09 0.03 -0.04 1.46 1.41 2r9bB1 LYS 186 HG3 0.02 -0.02 0.06 -0.04 1.46 1.47 2r9bB1 LYS 186 HD2 0.03 0.05 0.07 -0.04 1.69 1.80 2r9bB1 LYS 186 HD3 0.08 0.09 0.01 -0.04 1.68 1.82 2r9bB1 LYS 186 HE2 0.03 -0.06 -0.03 -0.04 2.99 2.89 2r9bB1 LYS 186 HE3 0.02 -0.05 0.01 -0.04 2.99 2.92 2r9bB1 LEU 187 H 0.05 0.58 0.44 -0.55 8.37 8.90 2r9bB1 LEU 187 HA 0.01 0.21 0.75 -0.75 4.35 4.56 2r9bB1 LEU 187 HB2 -0.11 0.01 0.12 -0.04 1.64 1.62 2r9bB1 LEU 187 HB3 -0.16 0.04 0.23 -0.04 1.64 1.71 2r9bB1 LEU 187 HG 0.18 0.01 -0.31 -0.04 1.64 1.48 2r9bB1 LEU 187 HD13 -0.19 -0.01 -0.08 -0.04 0.93 0.61 2r9bB1 LEU 187 HD23 0.23 -0.00 -0.09 -0.04 0.89 1.00 2r9bB1 ASN 188 H -0.05 0.44 0.33 -0.55 8.53 8.71 2r9bB1 ASN 188 HA -0.15 0.20 0.90 -0.75 4.76 4.95 2r9bB1 ASN 188 HB2 -0.15 -0.02 0.16 -0.04 2.88 2.82 2r9bB1 ASN 188 HB3 -0.07 0.01 0.05 -0.04 2.79 2.73 2r9bB1 ASN 188 HD21 -0.00 0.01 -0.34 -0.04 7.03 6.66 2r9bB1 ASN 188 HD22 -0.02 -0.02 -0.15 -0.04 7.74 7.51 2r9bB1 HIS 189 H -0.15 0.28 0.00 -0.55 8.41 8.00 2r9bB1 HIS 189 HA -0.18 0.11 0.46 -0.75 4.63 4.27 2r9bB1 HIS 189 HB2 -0.10 -0.06 -0.06 -0.04 3.26 3.00 2r9bB1 HIS 189 HB3 -0.16 -0.09 -0.04 -0.04 3.20 2.86 2r9bB1 HIS 189 HD2 -0.03 -0.08 -0.16 -0.04 6.97 6.65 2r9bB1 HIS 189 HE1 -0.04 -0.02 0.03 -0.04 7.75 7.67 2r9bB1 ASP 190 H -0.22 0.21 0.03 -0.55 8.40 7.87 2r9bB1 ASP 190 HA -1.50 0.23 0.82 -0.75 4.63 3.43 2r9bB1 ASP 190 HB2 -0.28 -0.00 0.21 -0.04 2.71 2.60 2r9bB1 ASP 190 HB3 -0.71 -0.04 0.18 -0.04 2.70 2.09 2r9bB1 LEU 191 H -0.42 0.29 -0.45 -0.55 8.37 7.24 2r9bB1 LEU 191 HA -0.18 0.07 0.73 -0.75 4.35 4.21 2r9bB1 LEU 191 HB2 -0.19 0.02 -0.12 -0.04 1.64 1.31 2r9bB1 LEU 191 HB3 -0.16 -0.08 0.06 -0.04 1.64 1.43 2r9bB1 LEU 191 HG -0.83 0.01 -0.25 -0.04 1.64 0.53 2r9bB1 LEU 191 HD13 -0.20 -0.00 -0.13 -0.04 0.93 0.56 2r9bB1 LEU 191 HD23 -0.08 0.01 -0.06 -0.04 0.89 0.71 2r9bB1 TYR 192 H -0.03 0.12 0.11 -0.55 8.29 7.94 2r9bB1 TYR 192 HA 0.05 0.22 0.87 -0.75 4.56 4.95 2r9bB1 TYR 192 HB2 0.00 -0.02 -0.01 -0.04 3.06 3.00 2r9bB1 TYR 192 HB3 0.10 0.03 -0.04 -0.04 2.98 3.04 2r9bB1 TYR 192 HD2 0.06 -0.01 -0.02 -0.04 7.15 7.14 2r9bB1 TYR 192 HE2 0.07 0.07 -0.02 -0.04 6.85 6.93 2r9bB1 TRP 193 H 0.51 0.25 0.09 -0.55 7.97 8.28 2r9bB1 TRP 193 HA 0.26 0.12 0.61 -0.75 4.62 4.86 2r9bB1 TRP 193 HB2 0.35 0.14 0.27 -0.04 3.23 3.94 2r9bB1 TRP 193 HB3 0.32 -0.01 0.19 -0.04 3.23 3.68 2r9bB1 TRP 193 HD1 0.28 0.27 0.17 -0.04 7.22 7.90 2r9bB1 TRP 193 HE1 0.15 0.47 0.32 -0.04 10.20 11.10 2r9bB1 TRP 193 HE3 0.23 0.03 -0.12 -0.04 7.59 7.70 2r9bB1 TRP 193 HZ2 -1.25 0.03 -0.12 -0.04 7.44 6.06 2r9bB1 TRP 193 HZ3 0.17 0.11 -0.22 -0.04 7.13 7.15 2r9bB1 TRP 193 HH2 -1.04 -0.09 -0.43 -0.04 7.19 5.59 2r9bB1 GLN 194 H 0.10 0.59 -0.11 -0.55 8.47 8.51 2r9bB1 GLN 194 HA 0.05 0.35 0.98 -0.75 4.36 4.99 2r9bB1 GLN 194 HB2 0.01 0.06 -0.11 -0.04 2.15 2.07 2r9bB1 GLN 194 HB3 0.05 -0.08 -0.18 -0.04 2.02 1.78 2r9bB1 GLN 194 HG2 0.05 0.37 0.16 -0.04 2.40 2.94 2r9bB1 GLN 194 HG3 0.05 -0.10 0.11 -0.04 2.39 2.41 2r9bB1 GLN 194 HE21 0.16 0.02 -0.06 -0.04 6.97 7.04 2r9bB1 GLN 194 HE22 0.02 0.08 -0.10 -0.04 7.69 7.65 2r9bB1 ILE 195 H -0.04 0.71 0.42 -0.55 8.25 8.79 2r9bB1 ILE 195 HA -0.01 0.18 0.96 -0.75 4.18 4.56 2r9bB1 ILE 195 HB -0.02 0.01 0.05 -0.04 1.89 1.88 2r9bB1 ILE 195 HG12 -0.10 0.06 0.04 -0.04 1.49 1.45 2r9bB1 ILE 195 HG13 -0.10 -0.03 -0.33 -0.04 1.21 0.70 2r9bB1 ILE 195 HG23 0.02 0.02 -0.39 -0.04 0.93 0.53 2r9bB1 ILE 195 HD13 -0.17 -0.01 -0.14 -0.04 0.88 0.52 2r9bB1 THR 196 H -0.01 0.23 0.19 -0.55 8.28 8.14 2r9bB1 THR 196 HA -0.02 0.36 1.07 -0.75 4.39 5.05 2r9bB1 THR 196 HB -0.00 -0.06 0.15 -0.04 4.32 4.37 2r9bB1 THR 196 HG23 0.01 0.03 -0.20 -0.04 1.22 1.02 2r9bB1 LEU 197 H -0.00 0.64 0.22 -0.55 8.37 8.67 2r9bB1 LEU 197 HA 0.04 0.21 0.81 -0.75 4.35 4.64 2r9bB1 LEU 197 HB2 0.03 -0.03 -0.18 -0.04 1.64 1.43 2r9bB1 LEU 197 HB3 0.13 -0.02 -0.04 -0.04 1.64 1.66 2r9bB1 LEU 197 HG -0.05 -0.08 -0.65 -0.04 1.64 0.82 2r9bB1 LEU 197 HD13 -0.12 -0.00 -0.23 -0.04 0.93 0.53 2r9bB1 LEU 197 HD23 0.11 0.06 -0.18 -0.04 0.89 0.84 2r9bB1 ASP 198 H 0.05 0.62 0.41 -0.55 8.40 8.94 2r9bB1 ASP 198 HA 0.02 0.09 1.04 -0.75 4.63 5.02 2r9bB1 ASP 198 HB2 0.01 -0.00 0.21 -0.04 2.71 2.89 2r9bB1 ASP 198 HB3 0.01 0.03 0.02 -0.04 2.70 2.73 2r9bB1 ALA 199 H -0.02 0.64 0.27 -0.55 8.40 8.74 2r9bB1 ALA 199 HA -0.52 0.21 0.88 -0.75 4.34 4.15 2r9bB1 ALA 199 HB3 -0.59 -0.01 0.04 -0.04 1.41 0.80 2r9bB1 HIS 200 H -0.18 0.82 0.20 -0.55 8.41 8.70 2r9bB1 HIS 200 HA 0.03 0.32 1.01 -0.75 4.63 5.24 2r9bB1 HIS 200 HB2 -0.03 -0.11 -0.12 -0.04 3.26 2.97 2r9bB1 HIS 200 HB3 -0.06 0.06 0.19 -0.04 3.20 3.34 2r9bB1 HIS 200 HD2 -0.02 -0.06 0.02 -0.04 6.97 6.87 2r9bB1 HIS 200 HE1 -0.01 -0.06 -0.10 -0.04 7.75 7.53 2r9bB1 VAL 201 H 0.10 0.28 -0.06 -0.55 8.24 8.01 2r9bB1 VAL 201 HA -0.25 0.17 0.75 -0.75 4.13 4.04 2r9bB1 VAL 201 HB 0.07 -0.01 0.08 -0.04 2.12 2.22 2r9bB1 VAL 201 HG13 -0.40 0.00 -0.23 -0.04 0.97 0.30 2r9bB1 VAL 201 HG23 -0.07 -0.03 -0.13 -0.04 0.95 0.68 2r9bB1 GLY 202 H -0.27 0.26 0.10 -0.55 8.43 7.97 2r9bB1 GLY 202 HA2 -0.17 0.05 0.35 -0.51 4.01 3.72 2r9bB1 GLY 202 HA3 -0.19 0.03 0.51 -0.51 4.01 3.86 2r9bB1 ASN 203 H -0.16 0.15 0.21 -0.55 8.53 8.18 2r9bB1 ASN 203 HA -0.04 0.22 0.81 -0.75 4.76 5.00 2r9bB1 ASN 203 HB2 -0.06 -0.01 0.05 -0.04 2.88 2.81 2r9bB1 ASN 203 HB3 -0.06 0.00 -0.01 -0.04 2.79 2.68 2r9bB1 ASN 203 HD21 0.00 -0.02 -0.00 -0.04 7.03 6.97 2r9bB1 ASN 203 HD22 -0.02 0.01 -0.01 -0.04 7.74 7.68 2r9bB1 ILE 204 H -0.22 0.38 -0.04 -0.55 8.25 7.83 2r9bB1 ILE 204 HA -0.09 0.08 0.66 -0.75 4.18 4.07 2r9bB1 ILE 204 HB -0.69 -0.03 0.03 -0.04 1.89 1.17 2r9bB1 ILE 204 HG12 -0.31 0.14 0.12 -0.04 1.49 1.40 2r9bB1 ILE 204 HG13 -0.48 0.00 -0.10 -0.04 1.21 0.59 2r9bB1 ILE 204 HG23 -0.50 -0.00 -0.02 -0.04 0.93 0.37 2r9bB1 ILE 204 HD13 -0.17 -0.01 -0.22 -0.04 0.88 0.44 2r9bB1 MET 205 H 0.10 0.19 0.15 -0.55 8.47 8.36 2r9bB1 MET 205 HA 0.26 0.38 1.09 -0.75 4.52 5.49 2r9bB1 MET 205 HB2 0.12 -0.04 0.05 -0.04 2.15 2.24 2r9bB1 MET 205 HB3 0.14 -0.05 -0.11 -0.04 2.03 1.96 2r9bB1 MET 205 HG2 0.78 0.08 -0.28 -0.04 2.63 3.17 2r9bB1 MET 205 HG3 0.25 0.05 -0.59 -0.04 2.56 2.23 2r9bB1 MET 205 HE3 -0.33 -0.01 -0.10 -0.04 2.10 1.62 2r9bB1 LEU 206 H 0.21 0.76 0.26 -0.55 8.37 9.05 2r9bB1 LEU 206 HA 0.17 0.17 0.94 -0.75 4.35 4.87 2r9bB1 LEU 206 HB2 0.18 -0.00 0.18 -0.04 1.64 1.96 2r9bB1 LEU 206 HB3 0.19 0.01 0.05 -0.04 1.64 1.85 2r9bB1 LEU 206 HG 0.45 0.01 -0.16 -0.04 1.64 1.89 2r9bB1 LEU 206 HD13 -0.03 -0.02 -0.02 -0.04 0.93 0.82 2r9bB1 LEU 206 HD23 0.15 0.02 0.07 -0.04 0.89 1.09 2r9bB1 GLU 207 H 0.08 0.20 0.04 -0.55 8.60 8.37 2r9bB1 GLU 207 HA 0.04 -0.02 0.54 -0.75 4.29 4.10 2r9bB1 GLU 207 HB2 0.04 0.02 0.06 -0.04 2.09 2.17 2r9bB1 GLU 207 HB3 0.04 0.03 0.09 -0.04 1.99 2.11 2r9bB1 GLU 207 HG2 0.02 0.01 -0.07 -0.04 2.34 2.25 2r9bB1 GLU 207 HG3 0.02 0.00 0.01 -0.04 2.34 2.33 2r9bB1 LYS 208 H 0.03 0.08 0.12 -0.55 8.42 8.09 2r9bB1 LYS 208 HA 0.02 0.01 0.21 -0.75 4.32 3.80 2r9bB1 LYS 208 HB2 0.03 0.17 -0.02 -0.04 1.87 2.01 2r9bB1 LYS 208 HB3 0.02 -0.01 0.15 -0.04 1.79 1.91 2r9bB1 LYS 208 HG2 0.02 -0.10 -0.23 -0.04 1.46 1.11 2r9bB1 LYS 208 HG3 0.01 0.01 -0.06 -0.04 1.46 1.38 2r9bB1 LYS 208 HD2 0.01 0.02 -0.01 -0.04 1.69 1.67 2r9bB1 LYS 208 HD3 0.01 0.00 -0.01 -0.04 1.68 1.65 2r9bB1 LYS 208 HE2 0.01 0.01 -0.02 -0.04 2.99 2.94 2r9bB1 LYS 208 HE3 0.01 0.00 -0.01 -0.04 2.99 2.95 2r9bB1 ALA 209 H 0.05 0.23 0.03 -0.55 8.40 8.16 2r9bB1 ALA 209 HA 0.10 0.06 0.36 -0.75 4.34 4.10 2r9bB1 ALA 209 HB3 0.18 -0.01 -0.02 -0.04 1.41 1.52 2r9bB1 ASN 210 H 0.05 0.37 0.22 -0.55 8.53 8.63 2r9bB1 ASN 210 HA -0.02 0.11 0.65 -0.75 4.76 4.74 2r9bB1 ASN 210 HB2 -0.03 0.14 0.19 -0.04 2.88 3.13 2r9bB1 ASN 210 HB3 -0.14 -0.10 0.26 -0.04 2.79 2.77 2r9bB1 ASN 210 HD21 -0.07 -0.06 -0.09 -0.04 7.03 6.77 2r9bB1 ASN 210 HD22 -0.23 -0.03 -0.09 -0.04 7.74 7.35 2r9bB1 CYS 211 H -0.07 0.80 0.39 -0.55 8.50 9.07 2r9bB1 CYS 211 HA -0.12 0.23 1.15 -0.75 4.58 5.09 2r9bB1 CYS 211 HB2 -0.19 0.04 -0.02 -0.04 2.97 2.75 2r9bB1 CYS 211 HB3 -0.37 -0.04 -0.15 -0.04 2.97 2.38 2r9bB1 ILE 212 H -0.16 0.52 0.27 -0.55 8.25 8.32 2r9bB1 ILE 212 HA -0.01 0.25 0.93 -0.75 4.18 4.60 2r9bB1 ILE 212 HB -0.11 -0.04 0.15 -0.04 1.89 1.86 2r9bB1 ILE 212 HG12 -0.13 -0.03 -0.23 -0.04 1.49 1.06 2r9bB1 ILE 212 HG13 -0.23 0.01 -0.27 -0.04 1.21 0.68 2r9bB1 ILE 212 HG23 0.06 -0.02 -0.31 -0.04 0.93 0.62 2r9bB1 ILE 212 HD13 -0.40 -0.00 -0.12 -0.04 0.88 0.31 2r9bB1 VAL 213 H 0.05 0.52 0.23 -0.55 8.24 8.49 2r9bB1 VAL 213 HA -0.09 0.17 0.66 -0.75 4.13 4.12 2r9bB1 VAL 213 HB 0.11 0.01 0.19 -0.04 2.12 2.39 2r9bB1 VAL 213 HG13 0.11 -0.00 -0.13 -0.04 0.97 0.91 2r9bB1 VAL 213 HG23 -0.24 0.01 -0.04 -0.04 0.95 0.64 2r9bB1 ASP 214 H 0.04 0.62 0.07 -0.55 8.40 8.58 2r9bB1 ASP 214 HA 0.14 0.04 0.85 -0.75 4.63 4.90 2r9bB1 ASP 214 HB2 0.10 0.08 -0.45 -0.04 2.71 2.40 2r9bB1 ASP 214 HB3 0.04 0.09 -0.11 -0.04 2.70 2.68 2r9bB1 SER 215 H -0.03 0.11 0.13 -0.55 8.46 8.12 2r9bB1 SER 215 HA -0.10 0.21 0.47 -0.75 4.49 4.32 2r9bB1 SER 215 HB2 -0.46 0.12 0.15 -0.04 3.95 3.72 2r9bB1 SER 215 HB3 -0.56 0.04 0.11 -0.04 3.93 3.47 2r9bB1 GLY 216 H -0.00 -0.08 -0.38 -0.55 8.43 7.42 2r9bB1 GLY 216 HA2 -0.13 0.22 0.47 -0.51 4.01 4.06 2r9bB1 GLY 216 HA3 -0.02 -0.12 0.22 -0.51 4.01 3.57 2r9bB1 THR 217 H -0.01 0.35 -0.38 -0.55 8.28 7.69 2r9bB1 THR 217 HA 0.02 0.15 0.94 -0.75 4.39 4.75 2r9bB1 THR 217 HB 0.03 0.09 0.11 -0.04 4.32 4.51 2r9bB1 THR 217 HG23 0.05 0.01 -0.08 -0.04 1.22 1.17 2r9bB1 SER 218 H 0.04 0.15 0.14 -0.55 8.46 8.24 2r9bB1 SER 218 HA 0.03 0.09 0.57 -0.75 4.49 4.43 2r9bB1 SER 218 HB2 0.05 0.07 0.14 -0.04 3.95 4.17 2r9bB1 SER 218 HB3 0.03 0.27 0.21 -0.04 3.93 4.40 2r9bB1 ALA 219 H 0.09 -0.06 -0.14 -0.55 8.40 7.74 2r9bB1 ALA 219 HA 0.07 0.35 0.91 -0.75 4.34 4.92 2r9bB1 ALA 219 HB3 0.21 -0.01 -0.18 -0.04 1.41 1.39 2r9bB1 ILE 220 H 0.06 0.62 0.27 -0.55 8.25 8.65 2r9bB1 ILE 220 HA -0.02 0.11 1.05 -0.75 4.18 4.56 2r9bB1 ILE 220 HB -0.11 0.11 0.25 -0.04 1.89 2.10 2r9bB1 ILE 220 HG12 -0.28 0.03 -0.04 -0.04 1.49 1.16 2r9bB1 ILE 220 HG13 -0.17 -0.05 0.06 -0.04 1.21 1.01 2r9bB1 ILE 220 HG23 -0.29 -0.02 -0.19 -0.04 0.93 0.39 2r9bB1 ILE 220 HD13 0.03 0.02 -0.22 -0.04 0.88 0.68 2r9bB1 THR 221 H 0.02 0.42 0.28 -0.55 8.28 8.46 2r9bB1 THR 221 HA 0.07 0.31 0.74 -0.75 4.39 4.75 2r9bB1 THR 221 HB 0.04 -0.15 0.23 -0.04 4.32 4.41 2r9bB1 THR 221 HG23 0.09 -0.00 -0.19 -0.04 1.22 1.08 2r9bB1 VAL 222 H 0.04 0.51 0.40 -0.55 8.24 8.64 2r9bB1 VAL 222 HA -0.36 0.17 0.76 -0.75 4.13 3.94 2r9bB1 VAL 222 HB 0.15 -0.08 -0.19 -0.04 2.12 1.96 2r9bB1 VAL 222 HG13 0.08 0.01 -0.09 -0.04 0.97 0.93 2r9bB1 VAL 222 HG23 0.33 0.05 -0.40 -0.04 0.95 0.89 2r9bB1 PRO 223 HA -0.03 0.11 0.53 -0.51 4.44 4.55 2r9bB1 PRO 223 HB2 -0.04 -0.13 0.16 -0.04 2.28 2.23 2r9bB1 PRO 223 HB3 -0.05 0.06 0.16 -0.04 2.02 2.15 2r9bB1 PRO 223 HG2 -0.44 0.02 0.11 -0.04 2.03 1.68 2r9bB1 PRO 223 HG3 -0.31 0.09 0.24 -0.04 2.03 2.00 2r9bB1 PRO 223 HD2 -0.88 0.05 0.16 -0.04 3.68 2.96 2r9bB1 PRO 223 HD3 -1.23 0.30 0.14 -0.04 3.65 2.82 2r9bB1 THR 224 H 0.03 0.16 0.13 -0.55 8.28 8.05 2r9bB1 THR 224 HA 0.08 0.07 0.27 -0.75 4.39 4.06 2r9bB1 THR 224 HB 0.05 0.08 0.02 -0.04 4.32 4.43 2r9bB1 THR 224 HG23 0.03 0.01 0.04 -0.04 1.22 1.26 2r9bB1 ASP 225 H 0.05 0.09 -0.22 -0.55 8.40 7.77 2r9bB1 ASP 225 HA 0.04 0.08 0.38 -0.75 4.63 4.37 2r9bB1 ASP 225 HB2 0.04 0.03 0.08 -0.04 2.71 2.83 2r9bB1 ASP 225 HB3 0.07 -0.05 0.06 -0.04 2.70 2.74 2r9bB1 PHE 226 H 0.19 0.17 -0.19 -0.55 8.34 7.96 2r9bB1 PHE 226 HA 0.02 0.02 0.34 -0.75 4.62 4.25 2r9bB1 PHE 226 HB2 -0.01 -0.07 0.08 -0.04 3.15 3.12 2r9bB1 PHE 226 HB3 -0.03 0.12 0.05 -0.04 3.06 3.16 2r9bB1 PHE 226 HD2 0.12 0.01 -0.24 -0.04 7.28 7.14 2r9bB1 PHE 226 HE2 0.14 -0.00 -0.23 -0.04 7.38 7.25 2r9bB1 PHE 226 HZ 0.03 -0.09 -0.17 -0.04 7.32 7.05 2r9bB1 LEU 227 H 0.18 0.37 -0.34 -0.55 8.37 8.03 2r9bB1 LEU 227 HA 0.18 0.06 0.32 -0.75 4.35 4.16 2r9bB1 LEU 227 HB2 0.18 -0.03 -0.17 -0.04 1.64 1.57 2r9bB1 LEU 227 HB3 0.13 0.07 0.04 -0.04 1.64 1.84 2r9bB1 LEU 227 HG 0.15 0.02 -0.29 -0.04 1.64 1.48 2r9bB1 LEU 227 HD13 0.17 0.00 -0.11 -0.04 0.93 0.96 2r9bB1 LEU 227 HD23 0.25 -0.00 -0.18 -0.04 0.89 0.92 2r9bB1 ASN 228 H 0.06 0.60 -0.04 -0.55 8.53 8.60 2r9bB1 ASN 228 HA -0.01 0.02 0.38 -0.75 4.76 4.40 2r9bB1 ASN 228 HB2 0.01 0.14 0.20 -0.04 2.88 3.19 2r9bB1 ASN 228 HB3 -0.01 -0.01 -0.00 -0.04 2.79 2.73 2r9bB1 ASN 228 HD21 0.04 -0.04 -0.04 -0.04 7.03 6.96 2r9bB1 ASN 228 HD22 0.03 -0.03 -0.04 -0.04 7.74 7.66 2r9bB1 LYS 229 H -0.06 0.50 -0.10 -0.55 8.42 8.20 2r9bB1 LYS 229 HA -0.08 -0.00 0.40 -0.75 4.32 3.89 2r9bB1 LYS 229 HB2 -0.23 0.09 0.09 -0.04 1.87 1.78 2r9bB1 LYS 229 HB3 -0.16 -0.02 0.04 -0.04 1.79 1.61 2r9bB1 LYS 229 HG2 -0.06 -0.02 0.04 -0.04 1.46 1.38 2r9bB1 LYS 229 HG3 -0.05 0.11 0.07 -0.04 1.46 1.56 2r9bB1 LYS 229 HD2 -0.07 -0.02 -0.05 -0.04 1.69 1.51 2r9bB1 LYS 229 HD3 -0.07 -0.00 -0.00 -0.04 1.68 1.56 2r9bB1 LYS 229 HE2 -0.02 0.00 -0.01 -0.04 2.99 2.93 2r9bB1 LYS 229 HE3 -0.00 -0.02 -0.03 -0.04 2.99 2.90 2r9bB1 MET 230 H -0.14 0.35 -0.50 -0.55 8.47 7.63 2r9bB1 MET 230 HA -0.17 -0.03 0.34 -0.75 4.52 3.90 2r9bB1 MET 230 HB2 -0.04 0.45 0.23 -0.04 2.15 2.76 2r9bB1 MET 230 HB3 -0.07 -0.06 -0.07 -0.04 2.03 1.79 2r9bB1 MET 230 HG2 -0.20 -0.05 -0.01 -0.04 2.63 2.33 2r9bB1 MET 230 HG3 -0.30 0.18 0.07 -0.04 2.56 2.47 2r9bB1 MET 230 HE3 -0.09 0.00 -0.11 -0.04 2.10 1.86 2r9bB1 LEU 231 H -0.06 0.40 -0.08 -0.55 8.37 8.08 2r9bB1 LEU 231 HA -0.06 0.09 0.62 -0.75 4.35 4.24 2r9bB1 LEU 231 HB2 -0.09 0.02 0.03 -0.04 1.64 1.55 2r9bB1 LEU 231 HB3 -0.12 0.05 0.07 -0.04 1.64 1.60 2r9bB1 LEU 231 HG -0.05 0.24 0.00 -0.04 1.64 1.80 2r9bB1 LEU 231 HD13 -0.26 -0.03 -0.08 -0.04 0.93 0.52 2r9bB1 LEU 231 HD23 -0.04 -0.03 -0.21 -0.04 0.89 0.56 2r9bB1 GLN 232 H -0.07 0.60 -0.11 -0.55 8.47 8.35 2r9bB1 GLN 232 HA -0.04 -0.04 0.28 -0.75 4.36 3.81 2r9bB1 GLN 232 HB2 -0.06 -0.09 0.24 -0.04 2.15 2.20 2r9bB1 GLN 232 HB3 -0.06 -0.01 0.08 -0.04 2.02 1.98 2r9bB1 GLN 232 HG2 -0.04 0.00 -0.26 -0.04 2.40 2.07 2r9bB1 GLN 232 HG3 -0.03 -0.05 -0.01 -0.04 2.39 2.26 2r9bB1 GLN 232 HE21 -0.03 -0.03 -0.01 -0.04 6.97 6.86 2r9bB1 GLN 232 HE22 -0.03 -0.02 -0.02 -0.04 7.69 7.59 2r9bB1 ASN 233 H -0.05 -0.07 -0.10 -0.55 8.53 7.76 2r9bB1 ASN 233 HA -0.03 0.07 0.38 -0.75 4.76 4.43 2r9bB1 ASN 233 HB2 -0.03 -0.05 -0.08 -0.04 2.88 2.68 2r9bB1 ASN 233 HB3 -0.02 -0.05 0.21 -0.04 2.79 2.89 2r9bB1 ASN 233 HD21 -0.02 -0.05 0.01 -0.04 7.03 6.93 2r9bB1 ASN 233 HD22 -0.02 -0.08 -0.11 -0.04 7.74 7.49 2r9bB1 LEU 234 H -0.05 0.22 -0.16 -0.55 8.37 7.83 2r9bB1 LEU 234 HA -0.04 0.15 0.88 -0.75 4.35 4.59 2r9bB1 LEU 234 HB2 -0.07 0.47 0.12 -0.04 1.64 2.12 2r9bB1 LEU 234 HB3 -0.06 -0.04 0.19 -0.04 1.64 1.69 2r9bB1 LEU 234 HG -0.07 0.09 -0.05 -0.04 1.64 1.57 2r9bB1 LEU 234 HD13 -0.09 -0.02 0.03 -0.04 0.93 0.81 2r9bB1 LEU 234 HD23 -0.04 -0.05 -0.34 -0.04 0.89 0.42 2r9bB1 ASP 235 H -0.04 0.24 -0.06 -0.55 8.40 7.99 2r9bB1 ASP 235 HA -0.02 -0.06 0.51 -0.75 4.63 4.31 2r9bB1 ASP 235 HB2 -0.02 0.27 -0.34 -0.04 2.71 2.57 2r9bB1 ASP 235 HB3 -0.03 -0.04 -0.07 -0.04 2.70 2.51 2r9bB1 VAL 236 H -0.01 0.06 0.09 -0.55 8.24 7.83 2r9bB1 VAL 236 HA -0.03 0.07 0.45 -0.75 4.13 3.87 2r9bB1 VAL 236 HB 0.00 -0.02 -0.01 -0.04 2.12 2.05 2r9bB1 VAL 236 HG13 -0.00 0.01 0.01 -0.04 0.97 0.94 2r9bB1 VAL 236 HG23 -0.00 -0.01 0.08 -0.04 0.95 0.98 2r9bB1 ILE 237 H -0.05 0.19 0.22 -0.55 8.25 8.07 2r9bB1 ILE 237 HA -0.01 0.44 0.98 -0.75 4.18 4.84 2r9bB1 ILE 237 HB -0.23 -0.02 0.07 -0.04 1.89 1.68 2r9bB1 ILE 237 HG12 -0.07 0.10 -0.83 -0.04 1.49 0.64 2r9bB1 ILE 237 HG13 -0.16 -0.07 -0.15 -0.04 1.21 0.78 2r9bB1 ILE 237 HG23 -0.36 -0.05 -0.14 -0.04 0.93 0.34 2r9bB1 ILE 237 HD13 0.03 0.03 -0.05 -0.04 0.88 0.85 2r9bB1 LYS 238 H 0.05 0.54 0.31 -0.55 8.42 8.77 2r9bB1 LYS 238 HA 0.05 0.14 1.00 -0.75 4.32 4.75 2r9bB1 LYS 238 HB2 0.03 -0.02 -0.08 -0.04 1.87 1.76 2r9bB1 LYS 238 HB3 0.05 -0.02 0.03 -0.04 1.79 1.82 2r9bB1 LYS 238 HG2 0.05 -0.05 -0.10 -0.04 1.46 1.32 2r9bB1 LYS 238 HG3 0.07 0.14 -0.40 -0.04 1.46 1.23 2r9bB1 LYS 238 HD2 0.05 -0.03 0.10 -0.04 1.69 1.77 2r9bB1 LYS 238 HD3 0.03 -0.05 -0.00 -0.04 1.68 1.62 2r9bB1 LYS 238 HE2 0.04 -0.05 -0.02 -0.04 2.99 2.92 2r9bB1 LYS 238 HE3 0.05 0.19 0.03 -0.04 2.99 3.22 2r9bB1 VAL 239 H 0.10 0.11 0.18 -0.55 8.24 8.09 2r9bB1 VAL 239 HA 0.18 0.24 0.78 -0.75 4.13 4.59 2r9bB1 VAL 239 HB 0.11 -0.07 0.06 -0.04 2.12 2.18 2r9bB1 VAL 239 HG13 0.07 0.07 0.03 -0.04 0.97 1.09 2r9bB1 VAL 239 HG23 0.32 -0.02 -0.00 -0.04 0.95 1.21 2r9bB1 PRO 240 HA 0.10 0.11 0.61 -0.51 4.44 4.74 2r9bB1 PRO 240 HB2 0.12 -0.14 0.13 -0.04 2.28 2.35 2r9bB1 PRO 240 HB3 0.10 0.08 -0.09 -0.04 2.02 2.06 2r9bB1 PRO 240 HG2 0.09 -0.11 -0.06 -0.04 2.03 1.92 2r9bB1 PRO 240 HG3 0.11 0.04 -0.08 -0.04 2.03 2.06 2r9bB1 PRO 240 HD2 0.07 0.42 0.19 -0.04 3.68 4.32 2r9bB1 PRO 240 HD3 0.13 0.18 0.31 -0.04 3.65 4.23 2r9bB1 PHE 241 H 0.23 0.10 0.13 -0.55 8.34 8.25 2r9bB1 PHE 241 HA 0.01 0.07 0.39 -0.75 4.62 4.34 2r9bB1 PHE 241 HB2 0.02 -0.01 0.12 -0.04 3.15 3.24 2r9bB1 PHE 241 HB3 0.02 -0.03 0.08 -0.04 3.06 3.09 2r9bB1 PHE 241 HD2 0.01 -0.00 -0.02 -0.04 7.28 7.23 2r9bB1 PHE 241 HE2 0.01 -0.01 -0.01 -0.04 7.38 7.33 2r9bB1 PHE 241 HZ 0.01 -0.01 -0.00 -0.04 7.32 7.27 2r9bB1 LEU 242 H 0.09 -0.06 -0.42 -0.55 8.37 7.44 2r9bB1 LEU 242 HA -0.17 0.11 0.60 -0.75 4.35 4.13 2r9bB1 LEU 242 HB2 0.08 0.02 -0.02 -0.04 1.64 1.68 2r9bB1 LEU 242 HB3 0.08 -0.02 -0.04 -0.04 1.64 1.62 2r9bB1 LEU 242 HG 0.12 -0.06 -0.03 -0.04 1.64 1.62 2r9bB1 LEU 242 HD13 0.09 -0.01 -0.03 -0.04 0.93 0.95 2r9bB1 LEU 242 HD23 0.02 0.00 -0.08 -0.04 0.89 0.79 2r9bB1 PRO 243 HA -0.24 0.05 0.37 -0.51 4.44 4.11 2r9bB1 PRO 243 HB2 -0.81 0.02 0.04 -0.04 2.28 1.49 2r9bB1 PRO 243 HB3 -0.27 0.00 0.12 -0.04 2.02 1.84 2r9bB1 PRO 243 HG2 0.28 -0.09 0.08 -0.04 2.03 2.26 2r9bB1 PRO 243 HG3 0.06 0.03 0.07 -0.04 2.03 2.15 2r9bB1 PRO 243 HD2 0.00 0.03 0.18 -0.04 3.68 3.85 2r9bB1 PRO 243 HD3 -0.13 0.13 0.20 -0.04 3.65 3.81 2r9bB1 PHE 244 H 0.20 -0.01 -0.10 -0.55 8.34 7.87 2r9bB1 PHE 244 HA -0.16 0.09 0.48 -0.75 4.62 4.28 2r9bB1 PHE 244 HB2 0.03 -0.05 0.01 -0.04 3.15 3.10 2r9bB1 PHE 244 HB3 0.04 0.08 0.26 -0.04 3.06 3.39 2r9bB1 PHE 244 HD2 0.00 0.07 0.07 -0.04 7.28 7.38 2r9bB1 PHE 244 HE2 0.01 -0.05 -0.11 -0.04 7.38 7.19 2r9bB1 PHE 244 HZ 0.01 -0.04 -0.08 -0.04 7.32 7.17 2r9bB1 TYR 245 H 0.25 0.11 0.24 -0.55 8.29 8.35 2r9bB1 TYR 245 HA 0.09 0.15 0.52 -0.75 4.56 4.57 2r9bB1 TYR 245 HB2 0.14 -0.02 0.14 -0.04 3.06 3.27 2r9bB1 TYR 245 HB3 0.09 0.01 0.03 -0.04 2.98 3.08 2r9bB1 TYR 245 HD2 0.08 0.03 -0.04 -0.04 7.15 7.18 2r9bB1 TYR 245 HE2 0.04 -0.04 -0.04 -0.04 6.85 6.77 2r9bB1 VAL 246 H 0.21 0.12 0.23 -0.55 8.24 8.25 2r9bB1 VAL 246 HA 0.13 0.32 1.21 -0.75 4.13 5.04 2r9bB1 VAL 246 HB 0.10 0.15 0.20 -0.04 2.12 2.54 2r9bB1 VAL 246 HG13 0.07 -0.03 -0.07 -0.04 0.97 0.90 2r9bB1 VAL 246 HG23 0.13 -0.02 -0.18 -0.04 0.95 0.84 2r9bB1 THR 247 H 0.06 0.66 0.42 -0.55 8.28 8.88 2r9bB1 THR 247 HA 0.04 0.07 0.59 -0.75 4.39 4.34 2r9bB1 THR 247 HB 0.05 0.16 -0.14 -0.04 4.32 4.35 2r9bB1 THR 247 HG23 0.06 0.01 -0.30 -0.04 1.22 0.95 2r9bB1 LEU 248 H 0.02 0.13 0.16 -0.55 8.37 8.14 2r9bB1 LEU 248 HA 0.02 0.24 0.76 -0.75 4.35 4.62 2r9bB1 LEU 248 HB2 0.01 -0.07 0.15 -0.04 1.64 1.69 2r9bB1 LEU 248 HB3 0.02 -0.04 0.07 -0.04 1.64 1.64 2r9bB1 LEU 248 HG 0.02 -0.01 0.02 -0.04 1.64 1.63 2r9bB1 LEU 248 HD13 0.01 0.00 -0.01 -0.04 0.93 0.90 2r9bB1 LEU 248 HD23 0.02 0.03 -0.12 -0.04 0.89 0.78 2r9bB1 CYS 249 H 0.02 0.70 0.26 -0.55 8.50 8.93 2r9bB1 CYS 249 HA -0.07 0.07 0.26 -0.75 4.58 4.09 2r9bB1 CYS 249 HB2 0.06 -0.04 0.02 -0.04 2.97 2.97 2r9bB1 CYS 249 HB3 -0.05 0.01 -0.03 -0.04 2.97 2.85 2r9bB1 ASN 250 H 0.01 0.05 -0.25 -0.55 8.53 7.80 2r9bB1 ASN 250 HA 0.00 0.16 0.42 -0.75 4.76 4.59 2r9bB1 ASN 250 HB2 0.01 0.02 0.07 -0.04 2.88 2.93 2r9bB1 ASN 250 HB3 0.02 -0.00 0.04 -0.04 2.79 2.80 2r9bB1 ASN 250 HD21 0.02 0.02 -0.00 -0.04 7.03 7.02 2r9bB1 ASN 250 HD22 0.02 0.01 0.02 -0.04 7.74 7.75 2r9bB1 ASN 251 H 0.00 0.35 -0.56 -0.55 8.53 7.78 2r9bB1 ASN 251 HA 0.01 -0.07 0.36 -0.75 4.76 4.30 2r9bB1 ASN 251 HB2 0.01 -0.09 0.20 -0.04 2.88 2.96 2r9bB1 ASN 251 HB3 0.01 0.13 0.15 -0.04 2.79 3.04 2r9bB1 ASN 251 HD21 0.01 -0.04 0.06 -0.04 7.03 7.01 2r9bB1 ASN 251 HD22 0.01 -0.03 0.10 -0.04 7.74 7.79 2r9bB1 SER 252 H 0.00 0.07 0.25 -0.55 8.46 8.24 2r9bB1 SER 252 HA 0.00 0.16 0.38 -0.75 4.49 4.27 2r9bB1 SER 252 HB2 0.00 0.01 0.17 -0.04 3.95 4.09 2r9bB1 SER 252 HB3 0.00 0.02 0.18 -0.04 3.93 4.09 2r9bB1 LYS 253 H 0.00 -0.05 -0.47 -0.55 8.42 7.35 2r9bB1 LYS 253 HA -0.00 0.20 0.80 -0.75 4.32 4.56 2r9bB1 LYS 253 HB2 -0.00 -0.11 0.04 -0.04 1.87 1.76 2r9bB1 LYS 253 HB3 -0.01 0.27 0.19 -0.04 1.79 2.19 2r9bB1 LYS 253 HG2 -0.01 0.04 -0.04 -0.04 1.46 1.42 2r9bB1 LYS 253 HG3 -0.00 -0.14 -0.07 -0.04 1.46 1.20 2r9bB1 LYS 253 HD2 -0.01 -0.09 -0.05 -0.04 1.69 1.50 2r9bB1 LYS 253 HD3 -0.01 0.12 -0.04 -0.04 1.68 1.71 2r9bB1 LYS 253 HE2 -0.00 -0.06 -0.03 -0.04 2.99 2.86 2r9bB1 LYS 253 HE3 -0.01 0.00 -0.03 -0.04 2.99 2.92 2r9bB1 LEU 254 H 0.02 0.30 -0.19 -0.55 8.37 7.95 2r9bB1 LEU 254 HA 0.07 0.03 0.44 -0.75 4.35 4.13 2r9bB1 LEU 254 HB2 0.01 0.05 0.11 -0.04 1.64 1.77 2r9bB1 LEU 254 HB3 0.08 0.00 -0.01 -0.04 1.64 1.67 2r9bB1 LEU 254 HG 0.03 -0.08 0.05 -0.04 1.64 1.60 2r9bB1 LEU 254 HD13 -0.04 0.01 -0.03 -0.04 0.93 0.83 2r9bB1 LEU 254 HD23 0.15 -0.01 -0.05 -0.04 0.89 0.94 2r9bB1 PRO 255 HA -0.01 0.09 0.48 -0.51 4.44 4.50 2r9bB1 PRO 255 HB2 -0.19 -0.09 -0.08 -0.04 2.28 1.88 2r9bB1 PRO 255 HB3 -0.10 0.08 0.06 -0.04 2.02 2.03 2r9bB1 PRO 255 HG2 -0.11 -0.03 -0.09 -0.04 2.03 1.75 2r9bB1 PRO 255 HG3 -0.12 0.03 -0.03 -0.04 2.03 1.87 2r9bB1 PRO 255 HD2 0.14 0.00 0.17 -0.04 3.68 3.95 2r9bB1 PRO 255 HD3 0.01 0.29 0.22 -0.04 3.65 4.13 2r9bB1 THR 256 H -0.04 0.14 0.12 -0.55 8.28 7.96 2r9bB1 THR 256 HA 0.23 0.28 0.89 -0.75 4.39 5.04 2r9bB1 THR 256 HB 0.07 -0.03 0.09 -0.04 4.32 4.42 2r9bB1 THR 256 HG23 0.18 0.02 -0.35 -0.04 1.22 1.04 2r9bB1 PHE 257 H 0.45 0.39 0.09 -0.55 8.34 8.72 2r9bB1 PHE 257 HA -0.07 -0.01 0.32 -0.75 4.62 4.11 2r9bB1 PHE 257 HB2 0.28 -0.04 0.08 -0.04 3.15 3.43 2r9bB1 PHE 257 HB3 -0.05 -0.02 -0.08 -0.04 3.06 2.86 2r9bB1 PHE 257 HD2 0.13 0.11 -0.02 -0.04 7.28 7.46 2r9bB1 PHE 257 HE2 -0.29 0.01 -0.12 -0.04 7.38 6.94 2r9bB1 PHE 257 HZ -0.11 -0.01 -0.12 -0.04 7.32 7.04 2r9bB1 GLU 258 H -0.23 0.12 -0.01 -0.55 8.60 7.93 2r9bB1 GLU 258 HA 0.12 0.27 0.87 -0.75 4.29 4.79 2r9bB1 GLU 258 HB2 0.07 0.05 -0.06 -0.04 2.09 2.12 2r9bB1 GLU 258 HB3 0.06 0.17 0.24 -0.04 1.99 2.42 2r9bB1 GLU 258 HG2 0.04 -0.07 -0.27 -0.04 2.34 2.00 2r9bB1 GLU 258 HG3 0.07 0.02 -0.10 -0.04 2.34 2.29 2r9bB1 PHE 259 H 0.33 0.64 0.24 -0.55 8.34 8.99 2r9bB1 PHE 259 HA -0.02 0.57 1.19 -0.75 4.62 5.60 2r9bB1 PHE 259 HB2 0.09 -0.02 0.05 -0.04 3.15 3.23 2r9bB1 PHE 259 HB3 -0.06 -0.04 -0.06 -0.04 3.06 2.86 2r9bB1 PHE 259 HD2 -0.13 0.09 -0.22 -0.04 7.28 6.97 2r9bB1 PHE 259 HE2 -0.70 0.01 -0.16 -0.04 7.38 6.48 2r9bB1 PHE 259 HZ -0.21 0.03 -0.14 -0.04 7.32 6.95 2r9bB1 THR 260 H 0.08 0.37 0.40 -0.55 8.28 8.58 2r9bB1 THR 260 HA -0.06 0.30 1.25 -0.75 4.39 5.14 2r9bB1 THR 260 HB -0.04 0.14 0.10 -0.04 4.32 4.48 2r9bB1 THR 260 HG23 -0.01 0.01 -0.25 -0.04 1.22 0.93 2r9bB1 SER 261 H -0.07 0.72 0.38 -0.55 8.46 8.94 2r9bB1 SER 261 HA 0.01 0.17 0.86 -0.75 4.49 4.78 2r9bB1 SER 261 HB2 0.04 -0.02 0.27 -0.04 3.95 4.19 2r9bB1 SER 261 HB3 0.07 0.10 -0.00 -0.04 3.93 4.06 2r9bB1 GLU 262 H 0.01 0.17 0.22 -0.55 8.60 8.45 2r9bB1 GLU 262 HA -0.01 0.12 0.51 -0.75 4.29 4.15 2r9bB1 GLU 262 HB2 0.01 -0.02 0.15 -0.04 2.09 2.19 2r9bB1 GLU 262 HB3 0.00 0.04 0.08 -0.04 1.99 2.07 2r9bB1 GLU 262 HG2 0.00 -0.04 0.12 -0.04 2.34 2.38 2r9bB1 GLU 262 HG3 0.00 0.02 0.07 -0.04 2.34 2.40 2r9bB1 ASN 263 H 0.01 -0.03 -0.08 -0.55 8.53 7.89 2r9bB1 ASN 263 HA 0.01 0.21 0.64 -0.75 4.76 4.87 2r9bB1 ASN 263 HB2 0.07 0.06 -0.08 -0.04 2.88 2.89 2r9bB1 ASN 263 HB3 0.05 0.01 0.09 -0.04 2.79 2.90 2r9bB1 ASN 263 HD21 0.03 -0.02 0.03 -0.04 7.03 7.03 2r9bB1 ASN 263 HD22 0.04 0.03 -0.00 -0.04 7.74 7.76 2r9bB1 GLY 264 H -0.08 0.02 -0.16 -0.55 8.43 7.67 2r9bB1 GLY 264 HA2 -0.16 0.18 0.55 -0.51 4.01 4.07 2r9bB1 GLY 264 HA3 -0.32 0.06 0.23 -0.51 4.01 3.48 2r9bB1 LYS 265 H -0.39 0.30 0.14 -0.55 8.42 7.92 2r9bB1 LYS 265 HA -0.28 0.23 0.99 -0.75 4.32 4.51 2r9bB1 LYS 265 HB2 -0.10 -0.03 -0.08 -0.04 1.87 1.61 2r9bB1 LYS 265 HB3 -0.07 -0.01 0.07 -0.04 1.79 1.74 2r9bB1 LYS 265 HG2 -0.02 0.06 -0.08 -0.04 1.46 1.38 2r9bB1 LYS 265 HG3 -0.05 -0.01 -0.01 -0.04 1.46 1.34 2r9bB1 LYS 265 HD2 0.00 0.00 -0.08 -0.04 1.69 1.58 2r9bB1 LYS 265 HD3 -0.01 -0.02 -0.05 -0.04 1.68 1.55 2r9bB1 LYS 265 HE2 0.03 -0.02 -0.10 -0.04 2.99 2.86 2r9bB1 LYS 265 HE3 0.05 0.02 -0.14 -0.04 2.99 2.88 2r9bB1 TYR 266 H -0.07 0.72 0.27 -0.55 8.29 8.65 2r9bB1 TYR 266 HA 0.05 0.16 0.92 -0.75 4.56 4.94 2r9bB1 TYR 266 HB2 0.15 -0.07 0.03 -0.04 3.06 3.13 2r9bB1 TYR 266 HB3 -0.39 0.06 -0.04 -0.04 2.98 2.56 2r9bB1 TYR 266 HD2 -0.20 0.04 -0.16 -0.04 7.15 6.78 2r9bB1 TYR 266 HE2 -0.08 0.02 -0.16 -0.04 6.85 6.59 2r9bB1 THR 267 H 0.45 0.22 0.17 -0.55 8.28 8.57 2r9bB1 THR 267 HA 0.32 0.37 1.05 -0.75 4.39 5.38 2r9bB1 THR 267 HB 0.20 0.04 -0.00 -0.04 4.32 4.52 2r9bB1 THR 267 HG23 0.14 -0.00 -0.19 -0.04 1.22 1.13 2r9bB1 LEU 268 H 0.39 0.50 0.08 -0.55 8.37 8.79 2r9bB1 LEU 268 HA 0.19 0.19 0.88 -0.75 4.35 4.85 2r9bB1 LEU 268 HB2 0.45 -0.02 -0.18 -0.04 1.64 1.86 2r9bB1 LEU 268 HB3 0.52 -0.12 0.13 -0.04 1.64 2.14 2r9bB1 LEU 268 HG 0.44 0.07 -0.20 -0.04 1.64 1.92 2r9bB1 LEU 268 HD13 -0.05 0.06 0.00 -0.04 0.93 0.91 2r9bB1 LEU 268 HD23 0.14 -0.03 -0.21 -0.04 0.89 0.75 2r9bB1 GLU 269 H 0.35 0.16 -0.01 -0.55 8.60 8.55 2r9bB1 GLU 269 HA 0.24 0.14 0.46 -0.75 4.29 4.38 2r9bB1 GLU 269 HB2 0.29 -0.01 0.05 -0.04 2.09 2.38 2r9bB1 GLU 269 HB3 0.10 0.03 0.09 -0.04 1.99 2.17 2r9bB1 GLU 269 HG2 0.14 0.03 0.01 -0.04 2.34 2.47 2r9bB1 GLU 269 HG3 0.15 0.04 -0.01 -0.04 2.34 2.48 2r9bB1 PRO 270 HA -1.27 0.06 0.39 -0.51 4.44 3.11 2r9bB1 PRO 270 HB2 -0.16 -0.01 0.05 -0.04 2.28 2.11 2r9bB1 PRO 270 HB3 -0.29 0.04 0.03 -0.04 2.02 1.75 2r9bB1 PRO 270 HG2 -0.01 0.13 -0.02 -0.04 2.03 2.08 2r9bB1 PRO 270 HG3 0.05 0.25 -0.07 -0.04 2.03 2.21 2r9bB1 PRO 270 HD2 0.02 0.04 0.15 -0.04 3.68 3.85 2r9bB1 PRO 270 HD3 0.11 0.15 0.14 -0.04 3.65 4.01 2r9bB1 GLU 271 H -0.15 0.13 -0.23 -0.55 8.60 7.80 2r9bB1 GLU 271 HA -0.22 0.04 0.30 -0.75 4.29 3.65 2r9bB1 GLU 271 HB2 -0.26 0.02 0.10 -0.04 2.09 1.92 2r9bB1 GLU 271 HB3 -0.20 -0.03 0.07 -0.04 1.99 1.79 2r9bB1 GLU 271 HG2 -0.69 -0.06 -0.17 -0.04 2.34 1.37 2r9bB1 GLU 271 HG3 -1.17 0.09 -0.34 -0.04 2.34 0.87 2r9bB1 TYR 272 H -0.05 0.37 -0.88 -0.55 8.29 7.17 2r9bB1 TYR 272 HA -0.01 0.19 0.84 -0.75 4.56 4.83 2r9bB1 TYR 272 HB2 0.13 0.12 -0.04 -0.04 3.06 3.24 2r9bB1 TYR 272 HB3 0.08 0.10 0.07 -0.04 2.98 3.19 2r9bB1 TYR 272 HD2 0.01 0.01 -0.02 -0.04 7.15 7.12 2r9bB1 TYR 272 HE2 -0.04 0.01 -0.03 -0.04 6.85 6.76 2r9bB1 TYR 273 H -0.23 0.58 0.12 -0.55 8.29 8.21 2r9bB1 TYR 273 HA 0.04 0.24 0.93 -0.75 4.56 5.02 2r9bB1 TYR 273 HB2 0.10 -0.11 0.13 -0.04 3.06 3.14 2r9bB1 TYR 273 HB3 0.14 0.03 -0.15 -0.04 2.98 2.95 2r9bB1 TYR 273 HD2 0.23 -0.08 -0.17 -0.04 7.15 7.08 2r9bB1 TYR 273 HE2 0.23 0.04 -0.11 -0.04 6.85 6.97 2r9bB1 LEU 274 H -0.15 0.25 -0.02 -0.55 8.37 7.91 2r9bB1 LEU 274 HA -0.03 0.17 0.83 -0.75 4.35 4.56 2r9bB1 LEU 274 HB2 -0.23 0.02 0.01 -0.04 1.64 1.40 2r9bB1 LEU 274 HB3 -0.25 -0.08 -0.12 -0.04 1.64 1.15 2r9bB1 LEU 274 HG -0.48 0.11 -0.11 -0.04 1.64 1.12 2r9bB1 LEU 274 HD13 -0.18 -0.02 -0.12 -0.04 0.93 0.57 2r9bB1 LEU 274 HD23 -0.02 0.00 -0.19 -0.04 0.89 0.64 2r9bB1 GLN 275 H -0.09 0.56 0.19 -0.55 8.47 8.59 2r9bB1 GLN 275 HA -0.06 0.17 0.93 -0.75 4.36 4.65 2r9bB1 GLN 275 HB2 -0.10 -0.03 0.18 -0.04 2.15 2.16 2r9bB1 GLN 275 HB3 -0.05 0.01 0.02 -0.04 2.02 1.97 2r9bB1 GLN 275 HG2 -0.12 0.01 -0.42 -0.04 2.40 1.83 2r9bB1 GLN 275 HG3 -0.28 -0.04 -0.13 -0.04 2.39 1.90 2r9bB1 GLN 275 HE21 -0.02 -0.02 -0.01 -0.04 6.97 6.88 2r9bB1 GLN 275 HE22 -0.04 0.06 -0.18 -0.04 7.69 7.48 2r9bB1 HIS 276 H -0.03 0.19 0.07 -0.55 8.41 8.09 2r9bB1 HIS 276 HA 0.01 0.18 0.57 -0.75 4.63 4.64 2r9bB1 HIS 276 HB2 0.00 0.01 0.13 -0.04 3.26 3.37 2r9bB1 HIS 276 HB3 0.00 -0.11 0.09 -0.04 3.20 3.14 2r9bB1 HIS 276 HD2 -0.03 0.06 0.05 -0.04 6.97 7.01 2r9bB1 HIS 276 HE1 -0.02 -0.02 -0.04 -0.04 7.75 7.63 2r9bB1 ILE 277 H 0.10 0.51 0.06 -0.55 8.25 8.37 2r9bB1 ILE 277 HA 0.08 0.13 0.58 -0.75 4.18 4.21 2r9bB1 ILE 277 HB 0.07 -0.12 0.12 -0.04 1.89 1.92 2r9bB1 ILE 277 HG12 0.05 0.04 -0.37 -0.04 1.49 1.18 2r9bB1 ILE 277 HG13 0.07 -0.06 -0.13 -0.04 1.21 1.05 2r9bB1 ILE 277 HG23 0.06 0.08 -0.22 -0.04 0.93 0.81 2r9bB1 ILE 277 HD13 0.08 0.02 -0.17 -0.04 0.88 0.77 2r9bB1 GLU 278 H 0.08 0.18 -0.02 -0.55 8.60 8.29 2r9bB1 GLU 278 HA 0.05 0.09 0.23 -0.75 4.29 3.91 2r9bB1 GLU 278 HB2 0.03 0.02 0.11 -0.04 2.09 2.21 2r9bB1 GLU 278 HB3 0.03 0.03 -0.02 -0.04 1.99 1.99 2r9bB1 GLU 278 HG2 0.01 0.06 -0.01 -0.04 2.34 2.35 2r9bB1 GLU 278 HG3 0.02 0.04 -0.07 -0.04 2.34 2.29 2r9bB1 ASP 279 H 0.05 0.05 -0.30 -0.55 8.40 7.64 2r9bB1 ASP 279 HA 0.03 0.03 0.25 -0.75 4.63 4.19 2r9bB1 ASP 279 HB2 0.06 -0.02 -0.02 -0.04 2.71 2.69 2r9bB1 ASP 279 HB3 0.04 0.04 -0.01 -0.04 2.70 2.72 2r9bB1 VAL 280 H 0.06 0.17 -0.21 -0.55 8.24 7.71 2r9bB1 VAL 280 HA 0.06 -0.02 0.41 -0.75 4.13 3.83 2r9bB1 VAL 280 HB 0.07 0.10 0.07 -0.04 2.12 2.31 2r9bB1 VAL 280 HG13 0.07 -0.01 -0.08 -0.04 0.97 0.91 2r9bB1 VAL 280 HG23 0.09 -0.03 0.01 -0.04 0.95 0.98 2r9bB1 GLY 281 H 0.05 0.27 -0.15 -0.55 8.43 8.05 2r9bB1 GLY 281 HA2 0.03 0.13 0.51 -0.51 4.01 4.17 2r9bB1 GLY 281 HA3 0.04 -0.04 0.24 -0.51 4.01 3.74 2r9bB1 PRO 282 HA 0.03 -0.08 0.51 -0.51 4.44 4.39 2r9bB1 PRO 282 HB2 0.02 0.02 0.07 -0.04 2.28 2.34 2r9bB1 PRO 282 HB3 0.02 0.02 0.13 -0.04 2.02 2.15 2r9bB1 PRO 282 HG2 0.02 0.02 0.14 -0.04 2.03 2.16 2r9bB1 PRO 282 HG3 0.02 0.04 0.10 -0.04 2.03 2.15 2r9bB1 PRO 282 HD2 0.03 0.13 0.22 -0.04 3.68 4.01 2r9bB1 PRO 282 HD3 0.02 0.17 0.15 -0.04 3.65 3.95 2r9bB1 GLY 283 H 0.05 0.09 0.29 -0.55 8.43 8.32 2r9bB1 GLY 283 HA2 0.07 -0.02 0.39 -0.51 4.01 3.93 2r9bB1 GLY 283 HA3 0.04 0.14 0.72 -0.51 4.01 4.41 2r9bB1 LEU 284 H 0.06 0.68 -0.02 -0.55 8.37 8.53 2r9bB1 LEU 284 HA 0.04 0.16 0.65 -0.75 4.35 4.44 2r9bB1 LEU 284 HB2 0.06 0.11 0.03 -0.04 1.64 1.80 2r9bB1 LEU 284 HB3 0.05 0.00 -0.03 -0.04 1.64 1.63 2r9bB1 LEU 284 HG 0.04 0.00 -0.29 -0.04 1.64 1.36 2r9bB1 LEU 284 HD13 0.05 0.00 -0.22 -0.04 0.93 0.72 2r9bB1 LEU 284 HD23 0.04 -0.01 -0.19 -0.04 0.89 0.69 2r9bB1 CYS 285 H 0.03 0.60 0.35 -0.55 8.50 8.94 2r9bB1 CYS 285 HA -0.03 0.18 0.59 -0.75 4.58 4.56 2r9bB1 CYS 285 HB2 -0.06 -0.00 -0.24 -0.04 2.97 2.63 2r9bB1 CYS 285 HB3 -0.11 0.01 -0.24 -0.04 2.97 2.60 2r9bB1 MET 286 H -0.01 0.67 0.25 -0.55 8.47 8.84 2r9bB1 MET 286 HA 0.11 0.42 1.14 -0.75 4.52 5.43 2r9bB1 MET 286 HB2 0.16 0.03 -0.00 -0.04 2.15 2.30 2r9bB1 MET 286 HB3 0.11 -0.04 -0.04 -0.04 2.03 2.02 2r9bB1 MET 286 HG2 -0.00 0.15 0.09 -0.04 2.63 2.82 2r9bB1 MET 286 HG3 -0.16 -0.03 -0.07 -0.04 2.56 2.25 2r9bB1 MET 286 HE3 0.19 0.01 -0.11 -0.04 2.10 2.15 2r9bB1 LEU 287 H 0.18 0.28 0.10 -0.55 8.37 8.38 2r9bB1 LEU 287 HA 0.22 0.22 0.69 -0.75 4.35 4.72 2r9bB1 LEU 287 HB2 0.25 -0.07 0.11 -0.04 1.64 1.89 2r9bB1 LEU 287 HB3 0.24 0.02 -0.03 -0.04 1.64 1.84 2r9bB1 LEU 287 HG 0.20 -0.02 -0.13 -0.04 1.64 1.65 2r9bB1 LEU 287 HD13 0.21 0.01 -0.10 -0.04 0.93 1.00 2r9bB1 LEU 287 HD23 0.23 -0.01 -0.24 -0.04 0.89 0.84 2r9bB1 ASN 288 H 0.16 0.99 0.32 -0.55 8.53 9.45 2r9bB1 ASN 288 HA -0.57 0.08 0.62 -0.75 4.76 4.14 2r9bB1 ASN 288 HB2 -0.06 0.12 0.08 -0.04 2.88 2.98 2r9bB1 ASN 288 HB3 0.02 -0.07 0.34 -0.04 2.79 3.04 2r9bB1 ASN 288 HD21 -0.17 0.02 -0.03 -0.04 7.03 6.81 2r9bB1 ASN 288 HD22 -0.14 0.02 -0.09 -0.04 7.74 7.49 2r9bB1 ILE 289 H 0.22 0.54 -0.39 -0.55 8.25 8.07 2r9bB1 ILE 289 HA 0.12 0.20 0.93 -0.75 4.18 4.67 2r9bB1 ILE 289 HB 0.18 -0.04 -0.06 -0.04 1.89 1.93 2r9bB1 ILE 289 HG12 -0.05 0.07 -0.13 -0.04 1.49 1.34 2r9bB1 ILE 289 HG13 -0.02 -0.13 -0.54 -0.04 1.21 0.49 2r9bB1 ILE 289 HG23 0.22 0.01 -0.12 -0.04 0.93 1.00 2r9bB1 ILE 289 HD13 -0.25 0.00 -0.13 -0.04 0.88 0.46 2r9bB1 ILE 290 H 0.14 0.66 0.27 -0.55 8.25 8.77 2r9bB1 ILE 290 HA 0.11 0.15 0.75 -0.75 4.18 4.44 2r9bB1 ILE 290 HB -0.01 0.05 0.06 -0.04 1.89 1.95 2r9bB1 ILE 290 HG12 0.12 -0.02 -0.18 -0.04 1.49 1.37 2r9bB1 ILE 290 HG13 0.06 0.01 -0.31 -0.04 1.21 0.93 2r9bB1 ILE 290 HG23 0.11 -0.01 -0.30 -0.04 0.93 0.69 2r9bB1 ILE 290 HD13 0.07 -0.01 -0.14 -0.04 0.88 0.76 2r9bB1 GLY 291 H 0.04 0.16 0.15 -0.55 8.43 8.24 2r9bB1 GLY 291 HA2 0.06 0.30 0.70 -0.51 4.01 4.56 2r9bB1 GLY 291 HA3 0.06 -0.04 0.36 -0.51 4.01 3.87 2r9bB1 LEU 292 H 0.04 0.51 0.22 -0.55 8.37 8.60 2r9bB1 LEU 292 HA -0.01 0.07 0.53 -0.75 4.35 4.19 2r9bB1 LEU 292 HB2 0.04 0.13 -0.22 -0.04 1.64 1.55 2r9bB1 LEU 292 HB3 0.12 -0.06 -0.01 -0.04 1.64 1.65 2r9bB1 LEU 292 HG -0.11 0.02 -0.25 -0.04 1.64 1.26 2r9bB1 LEU 292 HD13 -0.09 0.00 0.04 -0.04 0.93 0.85 2r9bB1 LEU 292 HD23 0.08 -0.02 -0.09 -0.04 0.89 0.82 2r9bB1 ASP 293 H -0.03 0.19 0.13 -0.55 8.40 8.15 2r9bB1 ASP 293 HA 0.11 0.13 1.00 -0.75 4.63 5.11 2r9bB1 ASP 293 HB2 -0.01 0.04 0.12 -0.04 2.71 2.82 2r9bB1 ASP 293 HB3 0.02 0.16 -0.00 -0.04 2.70 2.84 2r9bB1 PHE 294 H 0.28 0.14 0.17 -0.55 8.34 8.39 2r9bB1 PHE 294 HA -0.04 0.19 0.76 -0.75 4.62 4.78 2r9bB1 PHE 294 HB2 -0.06 0.17 0.05 -0.04 3.15 3.27 2r9bB1 PHE 294 HB3 -0.04 -0.02 0.09 -0.04 3.06 3.04 2r9bB1 PHE 294 HD2 -0.08 -0.02 -0.15 -0.04 7.28 6.99 2r9bB1 PHE 294 HE2 -0.14 -0.01 -0.18 -0.04 7.38 7.02 2r9bB1 PHE 294 HZ -0.10 -0.04 -0.15 -0.04 7.32 6.98 2r9bB1 PRO 295 HA 0.04 0.07 0.41 -0.51 4.44 4.45 2r9bB1 PRO 295 HB2 0.05 0.03 0.01 -0.04 2.28 2.32 2r9bB1 PRO 295 HB3 0.03 0.03 0.09 -0.04 2.02 2.13 2r9bB1 PRO 295 HG2 0.02 0.04 0.06 -0.04 2.03 2.11 2r9bB1 PRO 295 HG3 0.01 0.04 0.03 -0.04 2.03 2.07 2r9bB1 PRO 295 HD2 0.14 0.10 0.17 -0.04 3.68 4.05 2r9bB1 PRO 295 HD3 0.01 0.14 0.19 -0.04 3.65 3.95 2r9bB1 VAL 296 H 0.11 0.13 -0.37 -0.55 8.24 7.56 2r9bB1 VAL 296 HA 0.03 0.20 0.79 -0.75 4.13 4.39 2r9bB1 VAL 296 HB 0.02 -0.07 0.01 -0.04 2.12 2.05 2r9bB1 VAL 296 HG13 0.01 0.05 -0.07 -0.04 0.97 0.93 2r9bB1 VAL 296 HG23 0.03 -0.01 -0.12 -0.04 0.95 0.80 2r9bB1 PRO 297 HA -0.06 -0.07 0.46 -0.51 4.44 4.26 2r9bB1 PRO 297 HB2 0.03 0.03 0.12 -0.04 2.28 2.42 2r9bB1 PRO 297 HB3 -0.02 -0.01 0.10 -0.04 2.02 2.05 2r9bB1 PRO 297 HG2 0.04 0.06 0.10 -0.04 2.03 2.19 2r9bB1 PRO 297 HG3 0.02 0.00 0.11 -0.04 2.03 2.12 2r9bB1 PRO 297 HD2 0.03 0.12 0.19 -0.04 3.68 3.97 2r9bB1 PRO 297 HD3 0.03 0.18 0.18 -0.04 3.65 3.99 2r9bB1 THR 298 H -0.23 0.13 0.30 -0.55 8.28 7.93 2r9bB1 THR 298 HA -0.12 0.25 0.91 -0.75 4.39 4.67 2r9bB1 THR 298 HB -1.12 -0.11 -0.01 -0.04 4.32 3.04 2r9bB1 THR 298 HG23 -0.67 0.01 -0.14 -0.04 1.22 0.38 2r9bB1 PHE 299 H 0.07 0.70 0.38 -0.55 8.34 8.93 2r9bB1 PHE 299 HA -0.11 0.22 0.77 -0.75 4.62 4.75 2r9bB1 PHE 299 HB2 -0.18 -0.06 0.01 -0.04 3.15 2.87 2r9bB1 PHE 299 HB3 -0.11 0.09 -0.00 -0.04 3.06 3.00 2r9bB1 PHE 299 HD2 -0.01 0.10 -0.08 -0.04 7.28 7.26 2r9bB1 PHE 299 HE2 -0.37 -0.00 -0.09 -0.04 7.38 6.87 2r9bB1 PHE 299 HZ -1.07 -0.01 -0.05 -0.04 7.32 6.15 2r9bB1 ILE 300 H 0.01 0.30 0.13 -0.55 8.25 8.14 2r9bB1 ILE 300 HA -0.09 0.19 1.00 -0.75 4.18 4.52 2r9bB1 ILE 300 HB 0.03 -0.12 0.21 -0.04 1.89 1.97 2r9bB1 ILE 300 HG12 -0.02 0.05 -0.12 -0.04 1.49 1.36 2r9bB1 ILE 300 HG13 0.05 -0.01 -0.25 -0.04 1.21 0.95 2r9bB1 ILE 300 HG23 0.02 0.01 -0.14 -0.04 0.93 0.78 2r9bB1 ILE 300 HD13 0.20 -0.00 -0.09 -0.04 0.88 0.95 2r9bB1 LEU 301 H -0.22 0.37 0.00 -0.55 8.37 7.98 2r9bB1 LEU 301 HA -0.28 0.04 0.57 -0.75 4.35 3.92 2r9bB1 LEU 301 HB2 -0.47 -0.03 0.07 -0.04 1.64 1.17 2r9bB1 LEU 301 HB3 -0.94 0.04 0.04 -0.04 1.64 0.74 2r9bB1 LEU 301 HG -0.67 -0.06 -0.18 -0.04 1.64 0.69 2r9bB1 LEU 301 HD13 -1.58 0.01 -0.16 -0.04 0.93 -0.84 2r9bB1 LEU 301 HD23 -1.12 0.01 -0.15 -0.04 0.89 -0.42 2r9bB1 GLY 302 H -0.04 0.30 0.32 -0.55 8.43 8.47 2r9bB1 GLY 302 HA2 0.02 0.13 0.46 -0.51 4.01 4.11 2r9bB1 GLY 302 HA3 0.03 0.37 0.37 -0.51 4.01 4.27 2r9bB1 ASP 303 H 0.04 0.69 0.23 -0.55 8.40 8.81 2r9bB1 ASP 303 HA 0.04 -0.06 0.34 -0.75 4.63 4.20 2r9bB1 ASP 303 HB2 0.05 0.18 0.18 -0.04 2.71 3.08 2r9bB1 ASP 303 HB3 0.06 -0.02 0.01 -0.04 2.70 2.71 2r9bB1 PRO 304 HA 0.09 0.13 0.41 -0.51 4.44 4.56 2r9bB1 PRO 304 HB2 0.11 -0.12 -0.09 -0.04 2.28 2.14 2r9bB1 PRO 304 HB3 0.17 0.33 0.11 -0.04 2.02 2.58 2r9bB1 PRO 304 HG2 0.07 -0.04 0.09 -0.04 2.03 2.10 2r9bB1 PRO 304 HG3 0.06 0.10 0.15 -0.04 2.03 2.31 2r9bB1 PRO 304 HD2 0.05 -0.06 -0.47 -0.04 3.68 3.16 2r9bB1 PRO 304 HD3 0.05 0.35 -0.00 -0.04 3.65 4.01 2r9bB1 PHE 305 H 0.17 0.36 -0.52 -0.55 8.34 7.79 2r9bB1 PHE 305 HA 0.01 0.08 0.53 -0.75 4.62 4.49 2r9bB1 PHE 305 HB2 -0.10 -0.09 -0.05 -0.04 3.15 2.87 2r9bB1 PHE 305 HB3 -0.08 0.22 -0.09 -0.04 3.06 3.07 2r9bB1 PHE 305 HD2 -0.07 0.03 -0.20 -0.04 7.28 7.00 2r9bB1 PHE 305 HE2 -0.26 -0.01 -0.19 -0.04 7.38 6.89 2r9bB1 PHE 305 HZ -0.86 -0.02 -0.14 -0.04 7.32 6.26 2r9bB1 MET 306 H 0.13 0.42 -0.00 -0.55 8.47 8.47 2r9bB1 MET 306 HA -0.01 0.18 0.46 -0.75 4.52 4.39 2r9bB1 MET 306 HB2 -0.00 0.04 0.01 -0.04 2.15 2.16 2r9bB1 MET 306 HB3 -0.01 -0.06 0.08 -0.04 2.03 2.01 2r9bB1 MET 306 HG2 0.14 -0.02 -0.03 -0.04 2.63 2.68 2r9bB1 MET 306 HG3 0.17 0.14 -0.06 -0.04 2.56 2.77 2r9bB1 MET 306 HE3 0.06 -0.02 -0.05 -0.04 2.10 2.04 2r9bB1 ARG 307 H -0.04 0.25 -0.72 -0.55 8.46 7.39 2r9bB1 ARG 307 HA -0.12 0.05 0.51 -0.75 4.34 4.03 2r9bB1 ARG 307 HB2 -0.02 0.17 -0.02 -0.04 1.90 1.99 2r9bB1 ARG 307 HB3 0.04 0.06 -0.04 -0.04 1.80 1.82 2r9bB1 ARG 307 HG2 -0.06 0.00 -0.01 -0.04 1.67 1.57 2r9bB1 ARG 307 HG3 -0.13 -0.01 -0.06 -0.04 1.67 1.43 2r9bB1 ARG 307 HD2 0.03 0.04 -0.01 -0.04 3.22 3.24 2r9bB1 ARG 307 HD3 -0.05 -0.07 0.04 -0.04 3.22 3.09 2r9bB1 LYS 308 H -0.25 0.28 -0.21 -0.55 8.42 7.68 2r9bB1 LYS 308 HA -0.23 0.19 0.91 -0.75 4.32 4.43 2r9bB1 LYS 308 HB2 -1.33 -0.01 0.09 -0.04 1.87 0.58 2r9bB1 LYS 308 HB3 -0.74 0.08 0.18 -0.04 1.79 1.28 2r9bB1 LYS 308 HG2 -1.21 -0.06 -0.10 -0.04 1.46 0.05 2r9bB1 LYS 308 HG3 -0.67 -0.02 0.12 -0.04 1.46 0.85 2r9bB1 LYS 308 HD2 -1.29 -0.10 0.09 -0.04 1.69 0.35 2r9bB1 LYS 308 HD3 -0.70 0.10 0.12 -0.04 1.68 1.16 2r9bB1 LYS 308 HE2 -0.81 -0.05 0.05 -0.04 2.99 2.14 2r9bB1 LYS 308 HE3 -0.30 -0.04 0.05 -0.04 2.99 2.66 2r9bB1 TYR 309 H -0.25 0.33 0.04 -0.55 8.29 7.86 2r9bB1 TYR 309 HA -0.12 0.11 1.19 -0.75 4.56 4.99 2r9bB1 TYR 309 HB2 -0.84 0.02 0.05 -0.04 3.06 2.25 2r9bB1 TYR 309 HB3 -0.33 0.01 -0.07 -0.04 2.98 2.55 2r9bB1 TYR 309 HD2 -0.73 0.06 -0.23 -0.04 7.15 6.21 2r9bB1 TYR 309 HE2 -0.05 0.10 -0.02 -0.04 6.85 6.84 2r9bB1 PHE 310 H 0.24 0.38 0.25 -0.55 8.34 8.66 2r9bB1 PHE 310 HA 0.06 0.17 0.62 -0.75 4.62 4.72 2r9bB1 PHE 310 HB2 0.21 0.07 -0.02 -0.04 3.15 3.37 2r9bB1 PHE 310 HB3 0.01 -0.04 -0.06 -0.04 3.06 2.93 2r9bB1 PHE 310 HD2 -0.15 0.04 -0.11 -0.04 7.28 7.02 2r9bB1 PHE 310 HE2 -0.18 -0.07 -0.25 -0.04 7.38 6.83 2r9bB1 PHE 310 HZ 0.20 -0.13 -0.09 -0.04 7.32 7.26 2r9bB1 THR 311 H -0.51 0.37 0.39 -0.55 8.28 7.98 2r9bB1 THR 311 HA -0.48 0.34 1.08 -0.75 4.39 4.58 2r9bB1 THR 311 HB -0.65 -0.06 0.00 -0.04 4.32 3.57 2r9bB1 THR 311 HG23 -0.14 0.08 -0.17 -0.04 1.22 0.95 2r9bB1 VAL 312 H -0.66 0.62 0.30 -0.55 8.24 7.95 2r9bB1 VAL 312 HA -0.48 0.22 0.96 -0.75 4.13 4.08 2r9bB1 VAL 312 HB -0.52 -0.12 0.09 -0.04 2.12 1.53 2r9bB1 VAL 312 HG13 -0.13 -0.01 -0.27 -0.04 0.97 0.52 2r9bB1 VAL 312 HG23 -0.35 0.02 -0.28 -0.04 0.95 0.30 2r9bB1 PHE 313 H -0.58 0.82 0.31 -0.55 8.34 8.34 2r9bB1 PHE 313 HA -0.98 0.19 0.98 -0.75 4.62 4.06 2r9bB1 PHE 313 HB2 -2.85 -0.02 0.28 -0.04 3.15 0.52 2r9bB1 PHE 313 HB3 -2.97 0.01 0.08 -0.04 3.06 0.14 2r9bB1 PHE 313 HD2 -1.91 0.09 -0.01 -0.04 7.28 5.40 2r9bB1 PHE 313 HE2 -0.17 0.07 -0.04 -0.04 7.38 7.20 2r9bB1 PHE 313 HZ -0.12 -0.02 -0.13 -0.04 7.32 7.01 2r9bB1 ASP 314 H -0.08 0.64 0.16 -0.55 8.40 8.57 2r9bB1 ASP 314 HA 0.06 0.10 0.83 -0.75 4.63 4.86 2r9bB1 ASP 314 HB2 0.13 0.00 -0.14 -0.04 2.71 2.66 2r9bB1 ASP 314 HB3 0.21 0.08 0.08 -0.04 2.70 3.02 2r9bB1 TYR 315 H 0.30 0.53 0.35 -0.55 8.29 8.91 2r9bB1 TYR 315 HA 0.01 0.07 0.46 -0.75 4.56 4.34 2r9bB1 TYR 315 HB2 -0.09 0.11 0.22 -0.04 3.06 3.26 2r9bB1 TYR 315 HB3 -0.31 -0.01 0.01 -0.04 2.98 2.64 2r9bB1 TYR 315 HD2 -0.98 0.09 -0.01 -0.04 7.15 6.21 2r9bB1 TYR 315 HE2 -0.41 -0.02 -0.10 -0.04 6.85 6.28 2r9bB1 ASP 316 H 0.15 0.19 -0.01 -0.55 8.40 8.19 2r9bB1 ASP 316 HA 0.09 0.10 0.36 -0.75 4.63 4.43 2r9bB1 ASP 316 HB2 0.09 -0.06 0.01 -0.04 2.71 2.71 2r9bB1 ASP 316 HB3 0.09 0.08 -0.00 -0.04 2.70 2.82 2r9bB1 ASN 317 H 0.14 0.07 -0.65 -0.55 8.53 7.55 2r9bB1 ASN 317 HA 0.20 0.23 0.77 -0.75 4.76 5.21 2r9bB1 ASN 317 HB2 0.10 -0.04 -0.08 -0.04 2.88 2.82 2r9bB1 ASN 317 HB3 0.04 0.02 0.02 -0.04 2.79 2.83 2r9bB1 ASN 317 HD21 0.02 -0.01 -0.14 -0.04 7.03 6.86 2r9bB1 ASN 317 HD22 0.05 0.09 -0.08 -0.04 7.74 7.76 2r9bB1 HIS 318 H 0.07 0.27 -0.20 -0.55 8.41 8.01 2r9bB1 HIS 318 HA 0.50 -0.02 0.37 -0.75 4.63 4.73 2r9bB1 HIS 318 HB2 0.06 0.09 -0.08 -0.04 3.26 3.29 2r9bB1 HIS 318 HB3 -0.08 -0.07 0.15 -0.04 3.20 3.15 2r9bB1 HIS 318 HD2 0.14 0.02 -0.32 -0.04 6.97 6.77 2r9bB1 HIS 318 HE1 0.29 -0.08 0.02 -0.04 7.75 7.93 2r9bB1 SER 319 H 0.35 0.32 -0.10 -0.55 8.46 8.48 2r9bB1 SER 319 HA 0.20 0.11 0.78 -0.75 4.49 4.83 2r9bB1 SER 319 HB2 0.20 0.09 -0.17 -0.04 3.95 4.03 2r9bB1 SER 319 HB3 0.17 0.15 -0.26 -0.04 3.93 3.94 2r9bB1 VAL 320 H 0.06 0.70 0.31 -0.55 8.24 8.76 2r9bB1 VAL 320 HA -0.33 0.27 1.12 -0.75 4.13 4.44 2r9bB1 VAL 320 HB -0.14 -0.01 0.08 -0.04 2.12 2.01 2r9bB1 VAL 320 HG13 -0.61 0.01 -0.13 -0.04 0.97 0.20 2r9bB1 VAL 320 HG23 0.01 -0.01 -0.12 -0.04 0.95 0.78 2r9bB1 GLY 321 H -0.56 0.59 0.36 -0.55 8.43 8.27 2r9bB1 GLY 321 HA2 -0.65 0.19 0.72 -0.51 4.01 3.76 2r9bB1 GLY 321 HA3 -0.96 -0.04 0.19 -0.51 4.01 2.69 2r9bB1 ILE 322 H -0.29 0.43 0.11 -0.55 8.25 7.95 2r9bB1 ILE 322 HA -0.29 0.34 1.03 -0.75 4.18 4.51 2r9bB1 ILE 322 HB -0.38 -0.01 0.06 -0.04 1.89 1.51 2r9bB1 ILE 322 HG12 -0.38 0.10 -0.24 -0.04 1.49 0.93 2r9bB1 ILE 322 HG13 -0.41 -0.03 -0.45 -0.04 1.21 0.28 2r9bB1 ILE 322 HG23 -0.54 0.01 -0.17 -0.04 0.93 0.19 2r9bB1 ILE 322 HD13 -0.81 -0.02 -0.16 -0.04 0.88 -0.14 2r9bB1 ALA 323 H -0.01 0.82 0.23 -0.55 8.40 8.89 2r9bB1 ALA 323 HA 0.14 0.19 0.76 -0.75 4.34 4.68 2r9bB1 ALA 323 HB3 -0.02 -0.01 -0.15 -0.04 1.41 1.20 2r9bB1 LEU 324 H 0.22 0.22 0.20 -0.55 8.37 8.46 2r9bB1 LEU 324 HA -0.08 0.12 0.62 -0.75 4.35 4.26 2r9bB1 LEU 324 HB2 0.13 -0.05 0.21 -0.04 1.64 1.89 2r9bB1 LEU 324 HB3 0.10 0.03 0.17 -0.04 1.64 1.90 2r9bB1 LEU 324 HG -0.03 0.10 -0.02 -0.04 1.64 1.64 2r9bB1 LEU 324 HD13 -0.32 0.03 0.10 -0.04 0.93 0.70 2r9bB1 LEU 324 HD23 0.04 -0.03 0.02 -0.04 0.89 0.88 2r9bB1 ALA 325 H -0.06 0.64 0.41 -0.55 8.40 8.85 2r9bB1 ALA 325 HA 0.24 0.06 0.64 -0.75 4.34 4.53 2r9bB1 ALA 325 HB3 0.19 0.02 -0.08 -0.04 1.41 1.50 2r9bB1 LYS 326 H 0.15 0.65 0.32 -0.55 8.42 8.99 2r9bB1 LYS 326 HA 0.04 -0.06 0.44 -0.75 4.32 3.98 2r9bB1 LYS 326 HB2 -0.03 0.08 0.01 -0.04 1.87 1.88 2r9bB1 LYS 326 HB3 -0.03 0.01 -0.05 -0.04 1.79 1.68 2r9bB1 LYS 326 HG2 -0.05 -0.14 -0.34 -0.04 1.46 0.89 2r9bB1 LYS 326 HG3 -0.16 0.19 -0.23 -0.04 1.46 1.22 2r9bB1 LYS 326 HD2 -0.09 0.02 0.01 -0.04 1.69 1.59 2r9bB1 LYS 326 HD3 -0.04 -0.10 -0.03 -0.04 1.68 1.46 2r9bB1 LYS 326 HE2 -0.10 -0.13 0.00 -0.04 2.99 2.72 2r9bB1 LYS 326 HE3 -0.11 -0.03 -0.09 -0.04 2.99 2.72 2r9bB1 LYS 327 H 0.05 0.06 0.20 -0.55 8.42 8.18 2r9bB1 LYS 327 HA 0.12 0.14 0.32 -0.75 4.32 4.15 2r9bB1 LYS 327 HB2 0.05 -0.06 0.11 -0.04 1.87 1.92 2r9bB1 LYS 327 HB3 0.07 -0.02 0.09 -0.04 1.79 1.90 2r9bB1 LYS 327 HG2 0.07 0.03 0.08 -0.04 1.46 1.60 2r9bB1 LYS 327 HG3 0.06 0.09 0.12 -0.04 1.46 1.69 2r9bB1 LYS 327 HD2 0.03 -0.03 0.03 -0.04 1.69 1.69 2r9bB1 LYS 327 HD3 0.04 -0.02 0.04 -0.04 1.68 1.70 2r9bB1 LYS 327 HE2 0.03 0.03 0.05 -0.04 2.99 3.06 2r9bB1 LYS 327 HE3 0.02 -0.01 0.05 -0.04 2.99 3.02 2r9bB1 ASN 328 H 0.02 0.10 -0.48 -0.55 8.53 7.63 2r9bB1 ASN 328 HA -0.12 0.10 0.47 -0.75 4.76 4.46 2r9bB1 ASN 328 HB2 0.02 -0.12 -0.15 -0.04 2.88 2.60 2r9bB1 ASN 328 HB3 0.02 0.09 -0.08 -0.04 2.79 2.78 2r9bB1 ASN 328 HD21 0.09 -0.01 -0.06 -0.04 7.03 7.00 2r9bB1 ASN 328 HD22 0.05 -0.13 -0.20 -0.04 7.74 7.42 2r9bB1 LEU 329 H -0.05 0.13 0.01 -0.55 8.37 7.92 2r9bB1 LEU 329 HA -0.12 0.26 0.58 -0.75 4.35 4.32 2r9bB1 LEU 329 HB2 0.03 -0.02 0.07 -0.04 1.64 1.69 2r9bB1 LEU 329 HB3 -0.07 -0.02 0.04 -0.04 1.64 1.55 2r9bB1 LEU 329 HG -0.16 0.06 -0.10 -0.04 1.64 1.39 2r9bB1 LEU 329 HD13 0.16 -0.02 -0.08 -0.04 0.93 0.96 2r9bB1 LEU 329 HD23 -0.35 -0.01 -0.13 -0.04 0.89 0.36