============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 34 rings ring int. center anis. iso. HIS 10 0.900 81.145 30.520 33.926 -99.200 -91.000 PHE 12 1.000 77.270 34.204 31.240 -99.200 -91.000 PHE 16 1.000 70.375 40.805 23.924 -99.200 -91.000 TYR 59 0.840 64.968 28.048 8.844 -99.200 -91.000 PHE 60 1.000 59.164 28.210 3.167 -99.200 -91.000 PHE 79 1.000 83.196 20.578 16.060 -99.200 -91.000 TYR 80 0.840 78.912 20.096 18.454 -99.200 -91.000 TYR 83 0.840 84.265 26.061 19.970 -99.200 -91.000 HIS 88 0.900 84.437 29.864 23.571 -99.200 -91.000 TYR 90 0.840 86.108 28.073 27.686 -99.200 -91.000 PHE 96 1.000 75.339 28.885 28.987 -99.200 -91.000 TYR 142 0.840 54.983 19.053 25.282 -99.200 -91.000 PHE 144 1.000 54.771 17.098 33.631 -99.200 -91.000 TYR 150 0.840 65.931 11.614 29.093 -99.200 -91.000 TYR 158 0.840 77.597 18.175 34.048 -99.200 -91.000 PHE 162 1.000 71.466 19.030 34.993 -99.200 -91.000 TYR 169 0.840 55.699 22.007 30.174 -99.200 -91.000 PHE 170 1.000 51.558 25.431 24.298 -99.200 -91.000 HIS 174 0.900 49.600 19.746 31.025 -99.200 -91.000 PHE 175 1.000 52.796 27.495 32.304 -99.200 -91.000 PHE 185 1.000 65.442 15.358 39.785 -99.200 -91.000 PHE 190 1.000 71.298 26.755 32.255 -99.200 -91.000 PHE 218 1.000 51.587 17.401 10.896 -99.200 -91.000 TYR 225 0.840 54.243 31.764 12.954 -99.200 -91.000 PHE 237 1.000 58.336 26.057 33.832 -99.200 -91.000 PHE 238 1.000 61.353 35.843 38.256 -99.200 -91.000 PHE 247 1.000 70.332 30.902 31.064 -99.200 -91.000 TYR 253 0.840 61.949 38.011 14.773 -99.200 -91.000 PHE 259 1.000 62.037 46.825 29.433 -99.200 -91.000 HIS 261 0.900 61.833 36.145 26.071 -99.200 -91.000 HIS 276 0.900 68.234 30.154 9.466 -99.200 -91.000 PHE 283 1.000 73.748 37.415 19.112 -99.200 -91.000 TYR 299 0.840 63.884 49.965 34.617 -99.200 -91.000 PHE 305 1.000 65.314 45.684 32.691 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2b4gB1 MET 1 HA 0.07 0.08 0.36 -0.75 4.52 4.28 2b4gB1 MET 1 HB2 0.06 0.00 0.07 -0.04 2.15 2.23 2b4gB1 MET 1 HB3 0.05 -0.06 0.07 -0.04 2.03 2.04 2b4gB1 MET 1 HG2 0.06 -0.05 -0.07 -0.04 2.63 2.53 2b4gB1 MET 1 HG3 0.07 -0.05 -0.40 -0.04 2.56 2.14 2b4gB1 MET 1 HE3 0.08 -0.02 -0.02 -0.04 2.10 2.10 2b4gB1 SER 2 H 0.08 0.52 0.22 -0.55 8.46 8.73 2b4gB1 SER 2 HA 0.06 0.09 0.93 -0.75 4.49 4.82 2b4gB1 SER 2 HB2 0.05 0.11 -0.22 -0.04 3.95 3.84 2b4gB1 SER 2 HB3 0.05 -0.05 0.16 -0.04 3.93 4.04 2b4gB1 LEU 3 H 0.07 0.23 0.19 -0.55 8.37 8.31 2b4gB1 LEU 3 HA 0.06 0.10 0.83 -0.75 4.35 4.59 2b4gB1 LEU 3 HB2 0.09 0.17 0.20 -0.04 1.64 2.06 2b4gB1 LEU 3 HB3 0.08 -0.10 0.26 -0.04 1.64 1.84 2b4gB1 LEU 3 HG 0.10 0.01 -0.02 -0.04 1.64 1.70 2b4gB1 LEU 3 HD13 0.17 0.02 0.07 -0.04 0.93 1.16 2b4gB1 LEU 3 HD23 0.15 -0.00 -0.14 -0.04 0.89 0.85 2b4gB1 LYS 4 H 0.04 -0.07 -0.17 -0.55 8.42 7.67 2b4gB1 LYS 4 HA 0.06 0.29 0.26 -0.75 4.32 4.18 2b4gB1 LYS 4 HB2 0.04 -0.11 0.07 -0.04 1.87 1.83 2b4gB1 LYS 4 HB3 0.05 -0.02 -0.06 -0.04 1.79 1.73 2b4gB1 LYS 4 HG2 0.06 0.13 0.01 -0.04 1.46 1.62 2b4gB1 LYS 4 HG3 0.05 0.05 0.12 -0.04 1.46 1.64 2b4gB1 LYS 4 HD2 0.04 -0.04 0.05 -0.04 1.69 1.69 2b4gB1 LYS 4 HD3 0.04 -0.02 -0.02 -0.04 1.68 1.64 2b4gB1 LYS 4 HE2 0.04 -0.01 0.05 -0.04 2.99 3.03 2b4gB1 LYS 4 HE3 0.03 -0.03 0.01 -0.04 2.99 2.96 2b4gB1 VAL 5 H 0.11 0.65 0.21 -0.55 8.24 8.65 2b4gB1 VAL 5 HA 0.01 0.08 0.74 -0.75 4.13 4.20 2b4gB1 VAL 5 HB -0.02 -0.03 -0.04 -0.04 2.12 1.99 2b4gB1 VAL 5 HG13 -0.11 -0.01 -0.21 -0.04 0.97 0.59 2b4gB1 VAL 5 HG23 -0.13 0.05 -0.27 -0.04 0.95 0.56 2b4gB1 ASN 6 H 0.06 0.21 0.04 -0.55 8.53 8.30 2b4gB1 ASN 6 HA 0.16 0.34 1.12 -0.75 4.76 5.63 2b4gB1 ASN 6 HB2 0.05 -0.03 0.16 -0.04 2.88 3.02 2b4gB1 ASN 6 HB3 0.06 0.02 0.04 -0.04 2.79 2.87 2b4gB1 ASN 6 HD21 0.04 0.02 -0.13 -0.04 7.03 6.92 2b4gB1 ASN 6 HD22 0.04 -0.02 -0.11 -0.04 7.74 7.61 2b4gB1 ILE 7 H 0.31 0.53 0.18 -0.55 8.25 8.72 2b4gB1 ILE 7 HA 0.12 0.15 0.80 -0.75 4.18 4.50 2b4gB1 ILE 7 HB 0.15 -0.00 -0.00 -0.04 1.89 1.99 2b4gB1 ILE 7 HG12 0.09 -0.03 -0.25 -0.04 1.49 1.26 2b4gB1 ILE 7 HG13 0.29 0.05 -0.32 -0.04 1.21 1.19 2b4gB1 ILE 7 HG23 0.07 -0.01 -0.23 -0.04 0.93 0.71 2b4gB1 ILE 7 HD13 -0.08 -0.01 -0.20 -0.04 0.88 0.55 2b4gB1 LEU 8 H 0.14 0.20 0.12 -0.55 8.37 8.28 2b4gB1 LEU 8 HA 0.16 0.07 0.28 -0.75 4.35 4.10 2b4gB1 LEU 8 HB2 0.35 0.15 -0.27 -0.04 1.64 1.83 2b4gB1 LEU 8 HB3 0.25 0.06 0.08 -0.04 1.64 1.99 2b4gB1 LEU 8 HG 0.19 -0.10 -0.24 -0.04 1.64 1.45 2b4gB1 LEU 8 HD13 0.09 -0.01 -0.21 -0.04 0.93 0.77 2b4gB1 LEU 8 HD23 0.22 0.02 -0.10 -0.04 0.89 1.00 2b4gB1 GLY 9 H 0.08 -0.01 -0.33 -0.55 8.43 7.62 2b4gB1 GLY 9 HA2 -0.04 -0.04 0.20 -0.51 4.01 3.62 2b4gB1 GLY 9 HA3 -0.10 0.11 0.52 -0.51 4.01 4.02 2b4gB1 HIS 10 H 0.16 0.47 -0.20 -0.55 8.41 8.30 2b4gB1 HIS 10 HA -0.10 0.15 0.78 -0.75 4.63 4.71 2b4gB1 HIS 10 HB2 -0.18 -0.00 -0.07 -0.04 3.26 2.97 2b4gB1 HIS 10 HB3 -0.53 0.03 -0.03 -0.04 3.20 2.63 2b4gB1 HIS 10 HD2 -0.15 -0.02 0.05 -0.04 6.97 6.80 2b4gB1 HIS 10 HE1 -0.04 0.02 0.03 -0.04 7.75 7.72 2b4gB1 GLU 11 H -0.06 0.22 0.13 -0.55 8.60 8.34 2b4gB1 GLU 11 HA 0.08 0.16 1.02 -0.75 4.29 4.80 2b4gB1 GLU 11 HB2 0.01 -0.04 0.04 -0.04 2.09 2.06 2b4gB1 GLU 11 HB3 -0.02 0.01 0.13 -0.04 1.99 2.08 2b4gB1 GLU 11 HG2 0.03 0.01 -0.28 -0.04 2.34 2.06 2b4gB1 GLU 11 HG3 0.06 0.02 -0.04 -0.04 2.34 2.34 2b4gB1 PHE 12 H 0.32 0.92 0.34 -0.55 8.34 9.36 2b4gB1 PHE 12 HA 0.02 0.23 0.99 -0.75 4.62 5.11 2b4gB1 PHE 12 HB2 -0.02 -0.07 0.10 -0.04 3.15 3.12 2b4gB1 PHE 12 HB3 -0.02 0.09 0.05 -0.04 3.06 3.14 2b4gB1 PHE 12 HD2 0.02 0.14 -0.16 -0.04 7.28 7.24 2b4gB1 PHE 12 HE2 0.11 0.04 -0.16 -0.04 7.38 7.33 2b4gB1 PHE 12 HZ -0.14 -0.02 -0.18 -0.04 7.32 6.94 2b4gB1 SER 13 H 0.11 0.31 0.26 -0.55 8.46 8.60 2b4gB1 SER 13 HA 0.07 0.02 0.41 -0.75 4.49 4.23 2b4gB1 SER 13 HB2 0.05 0.13 0.20 -0.04 3.95 4.28 2b4gB1 SER 13 HB3 0.07 0.04 0.14 -0.04 3.93 4.14 2b4gB1 ASN 14 H 0.12 0.22 0.11 -0.55 8.53 8.43 2b4gB1 ASN 14 HA 0.05 0.50 0.47 -0.75 4.76 5.03 2b4gB1 ASN 14 HB2 0.19 -0.05 0.18 -0.04 2.88 3.16 2b4gB1 ASN 14 HB3 0.13 0.10 -0.14 -0.04 2.79 2.84 2b4gB1 ASN 14 HD21 0.12 0.54 0.00 -0.04 7.03 7.64 2b4gB1 ASN 14 HD22 0.12 -0.00 -0.14 -0.04 7.74 7.67 2b4gB1 PRO 15 HA -0.30 0.16 0.49 -0.51 4.44 4.28 2b4gB1 PRO 15 HB2 -0.46 -0.12 0.07 -0.04 2.28 1.73 2b4gB1 PRO 15 HB3 -0.29 0.22 0.11 -0.04 2.02 2.02 2b4gB1 PRO 15 HG2 -1.01 -0.10 -0.04 -0.04 2.03 0.84 2b4gB1 PRO 15 HG3 -0.32 0.07 0.04 -0.04 2.03 1.77 2b4gB1 PRO 15 HD2 -0.10 -0.03 0.20 -0.04 3.68 3.71 2b4gB1 PRO 15 HD3 -0.09 0.41 0.27 -0.04 3.65 4.20 2b4gB1 PHE 16 H 0.03 0.05 -0.32 -0.55 8.34 7.54 2b4gB1 PHE 16 HA -0.03 0.37 0.65 -0.75 4.62 4.86 2b4gB1 PHE 16 HB2 0.14 -0.04 0.05 -0.04 3.15 3.26 2b4gB1 PHE 16 HB3 0.38 -0.01 -0.02 -0.04 3.06 3.37 2b4gB1 PHE 16 HD2 0.08 0.08 -0.08 -0.04 7.28 7.32 2b4gB1 PHE 16 HE2 0.05 -0.00 -0.16 -0.04 7.38 7.23 2b4gB1 PHE 16 HZ 0.07 -0.03 -0.07 -0.04 7.32 7.25 2b4gB1 MET 17 H 0.16 0.58 0.34 -0.55 8.47 9.01 2b4gB1 MET 17 HA -0.23 0.24 0.38 -0.75 4.52 4.16 2b4gB1 MET 17 HB2 -0.08 -0.07 -0.25 -0.04 2.15 1.71 2b4gB1 MET 17 HB3 -0.09 0.08 -0.30 -0.04 2.03 1.68 2b4gB1 MET 17 HG2 -0.19 0.02 -0.35 -0.04 2.63 2.06 2b4gB1 MET 17 HG3 -0.13 0.11 -0.41 -0.04 2.56 2.10 2b4gB1 MET 17 HE3 -0.36 0.03 -0.32 -0.04 2.10 1.41 2b4gB1 ASN 18 H -0.05 0.21 0.13 -0.55 8.53 8.28 2b4gB1 ASN 18 HA 0.23 0.12 0.78 -0.75 4.76 5.14 2b4gB1 ASN 18 HB2 0.09 0.13 0.12 -0.04 2.88 3.18 2b4gB1 ASN 18 HB3 0.12 -0.01 0.14 -0.04 2.79 3.00 2b4gB1 ASN 18 HD21 0.01 0.35 -0.13 -0.04 7.03 7.22 2b4gB1 ASN 18 HD22 0.03 0.22 -0.22 -0.04 7.74 7.72 2b4gB1 ALA 19 H 0.06 0.43 0.02 -0.55 8.40 8.36 2b4gB1 ALA 19 HA -0.01 0.13 0.53 -0.75 4.34 4.24 2b4gB1 ALA 19 HB3 0.01 -0.03 -0.22 -0.04 1.41 1.13 2b4gB1 ALA 20 H -0.01 0.13 -0.06 -0.55 8.40 7.91 2b4gB1 ALA 20 HA -0.01 0.16 0.09 -0.75 4.34 3.83 2b4gB1 ALA 20 HB3 -0.02 -0.01 -0.04 -0.04 1.41 1.31 2b4gB1 GLY 21 H -0.01 0.21 -0.07 -0.55 8.43 8.01 2b4gB1 GLY 21 HA2 0.00 -0.02 0.28 -0.51 4.01 3.77 2b4gB1 GLY 21 HA3 0.02 0.13 0.49 -0.51 4.01 4.14 2b4gB1 VAL 22 H 0.03 0.61 -0.35 -0.55 8.24 7.97 2b4gB1 VAL 22 HA 0.05 0.09 0.87 -0.75 4.13 4.39 2b4gB1 VAL 22 HB 0.05 0.10 0.12 -0.04 2.12 2.36 2b4gB1 VAL 22 HG13 0.06 0.03 -0.16 -0.04 0.97 0.86 2b4gB1 VAL 22 HG23 0.08 -0.04 -0.19 -0.04 0.95 0.76 2b4gB1 LEU 23 H -0.01 0.15 0.10 -0.55 8.37 8.06 2b4gB1 LEU 23 HA -0.02 -0.06 0.32 -0.75 4.35 3.83 2b4gB1 LEU 23 HB2 -0.01 -0.01 -0.09 -0.04 1.64 1.49 2b4gB1 LEU 23 HB3 0.04 0.15 0.04 -0.04 1.64 1.83 2b4gB1 LEU 23 HG 0.01 0.04 0.11 -0.04 1.64 1.76 2b4gB1 LEU 23 HD13 -0.04 -0.01 0.04 -0.04 0.93 0.88 2b4gB1 LEU 23 HD23 0.04 0.01 0.00 -0.04 0.89 0.90 2b4gB1 CYS 24 H 0.01 -0.04 -0.14 -0.55 8.50 7.79 2b4gB1 CYS 24 HA 0.01 0.12 0.44 -0.75 4.58 4.40 2b4gB1 CYS 24 HB2 0.01 -0.02 0.17 -0.04 2.97 3.08 2b4gB1 CYS 24 HB3 0.01 0.24 -0.33 -0.04 2.97 2.86 2b4gB1 THR 25 H 0.03 -0.04 0.11 -0.55 8.28 7.83 2b4gB1 THR 25 HA 0.20 0.16 0.71 -0.75 4.39 4.71 2b4gB1 THR 25 HB 0.01 -0.09 0.14 -0.04 4.32 4.35 2b4gB1 THR 25 HG23 0.04 0.02 -0.09 -0.04 1.22 1.15 2b4gB1 THR 26 H 0.01 -0.07 0.09 -0.55 8.28 7.75 2b4gB1 THR 26 HA -0.24 0.30 0.70 -0.75 4.39 4.39 2b4gB1 THR 26 HB -0.09 0.03 0.13 -0.04 4.32 4.35 2b4gB1 THR 26 HG23 -0.08 0.05 -0.01 -0.04 1.22 1.14 2b4gB1 GLU 27 H 0.01 0.24 0.13 -0.55 8.60 8.44 2b4gB1 GLU 27 HA 0.13 0.18 0.34 -0.75 4.29 4.18 2b4gB1 GLU 27 HB2 0.35 0.08 0.12 -0.04 2.09 2.59 2b4gB1 GLU 27 HB3 0.12 -0.02 0.07 -0.04 1.99 2.12 2b4gB1 GLU 27 HG2 0.15 -0.03 -0.13 -0.04 2.34 2.29 2b4gB1 GLU 27 HG3 0.25 0.04 0.02 -0.04 2.34 2.61 2b4gB1 GLU 28 H 0.02 0.09 -0.13 -0.55 8.60 8.04 2b4gB1 GLU 28 HA 0.03 0.00 0.40 -0.75 4.29 3.97 2b4gB1 GLU 28 HB2 0.01 0.00 0.07 -0.04 2.09 2.12 2b4gB1 GLU 28 HB3 -0.01 -0.10 0.02 -0.04 1.99 1.86 2b4gB1 GLU 28 HG2 -0.00 -0.00 -0.27 -0.04 2.34 2.02 2b4gB1 GLU 28 HG3 0.01 0.00 -0.01 -0.04 2.34 2.29 2b4gB1 ASP 29 H -0.00 0.02 -0.34 -0.55 8.40 7.53 2b4gB1 ASP 29 HA -0.00 0.09 0.33 -0.75 4.63 4.30 2b4gB1 ASP 29 HB2 0.01 0.13 -0.04 -0.04 2.71 2.77 2b4gB1 ASP 29 HB3 0.00 0.11 -0.77 -0.04 2.70 2.00 2b4gB1 LEU 30 H -0.04 0.42 -0.27 -0.55 8.37 7.94 2b4gB1 LEU 30 HA -0.03 0.11 0.31 -0.75 4.35 3.98 2b4gB1 LEU 30 HB2 -0.42 0.06 0.04 -0.04 1.64 1.28 2b4gB1 LEU 30 HB3 -0.46 0.06 -0.05 -0.04 1.64 1.14 2b4gB1 LEU 30 HG -0.07 -0.12 -0.19 -0.04 1.64 1.22 2b4gB1 LEU 30 HD13 -0.41 -0.00 -0.22 -0.04 0.93 0.26 2b4gB1 LEU 30 HD23 -0.08 0.04 -0.10 -0.04 0.89 0.71 2b4gB1 ARG 31 H 0.04 0.47 -0.13 -0.55 8.46 8.28 2b4gB1 ARG 31 HA 0.11 0.00 0.50 -0.75 4.34 4.20 2b4gB1 ARG 31 HB2 0.09 0.03 0.07 -0.04 1.90 2.05 2b4gB1 ARG 31 HB3 0.05 0.00 0.11 -0.04 1.80 1.92 2b4gB1 ARG 31 HG2 0.04 0.00 -0.10 -0.04 1.67 1.56 2b4gB1 ARG 31 HG3 0.05 0.05 0.04 -0.04 1.67 1.77 2b4gB1 ARG 31 HD2 0.03 0.02 -0.03 -0.04 3.22 3.20 2b4gB1 ARG 31 HD3 0.05 0.03 -0.03 -0.04 3.22 3.24 2b4gB1 ARG 32 H 0.03 0.56 -0.11 -0.55 8.46 8.39 2b4gB1 ARG 32 HA 0.03 0.05 0.49 -0.75 4.34 4.14 2b4gB1 ARG 32 HB2 0.02 0.11 0.18 -0.04 1.90 2.17 2b4gB1 ARG 32 HB3 0.02 -0.06 0.06 -0.04 1.80 1.77 2b4gB1 ARG 32 HG2 0.01 -0.01 0.03 -0.04 1.67 1.66 2b4gB1 ARG 32 HG3 0.01 0.12 0.10 -0.04 1.67 1.86 2b4gB1 ARG 32 HD2 -0.00 -0.05 -0.05 -0.04 3.22 3.08 2b4gB1 ARG 32 HD3 -0.00 -0.07 -0.05 -0.04 3.22 3.06 2b4gB1 MET 33 H 0.03 0.52 -0.07 -0.55 8.47 8.39 2b4gB1 MET 33 HA 0.00 -0.04 0.61 -0.75 4.52 4.33 2b4gB1 MET 33 HB2 0.02 0.04 0.14 -0.04 2.15 2.30 2b4gB1 MET 33 HB3 -0.02 0.02 -0.03 -0.04 2.03 1.96 2b4gB1 MET 33 HG2 0.03 0.11 0.12 -0.04 2.63 2.85 2b4gB1 MET 33 HG3 0.01 -0.02 0.07 -0.04 2.56 2.58 2b4gB1 MET 33 HE3 -0.33 -0.02 0.10 -0.04 2.10 1.80 2b4gB1 THR 34 H 0.07 0.39 -0.20 -0.55 8.28 7.98 2b4gB1 THR 34 HA 0.06 0.14 0.35 -0.75 4.39 4.18 2b4gB1 THR 34 HB 0.06 -0.04 0.15 -0.04 4.32 4.46 2b4gB1 THR 34 HG23 -0.08 -0.01 -0.01 -0.04 1.22 1.07 2b4gB1 GLU 35 H 0.03 0.41 -0.08 -0.55 8.60 8.41 2b4gB1 GLU 35 HA 0.00 0.06 0.51 -0.75 4.29 4.12 2b4gB1 GLU 35 HB2 0.02 0.00 0.11 -0.04 2.09 2.18 2b4gB1 GLU 35 HB3 0.01 -0.08 -0.01 -0.04 1.99 1.88 2b4gB1 GLU 35 HG2 0.01 0.00 0.03 -0.04 2.34 2.33 2b4gB1 GLU 35 HG3 0.02 0.13 0.05 -0.04 2.34 2.50 2b4gB1 SER 36 H 0.01 0.22 -0.45 -0.55 8.46 7.70 2b4gB1 SER 36 HA 0.05 -0.05 0.43 -0.75 4.49 4.16 2b4gB1 SER 36 HB2 0.16 -0.06 0.20 -0.04 3.95 4.20 2b4gB1 SER 36 HB3 0.06 0.12 0.22 -0.04 3.93 4.28 2b4gB1 GLU 37 H 0.09 -0.03 0.11 -0.55 8.60 8.23 2b4gB1 GLU 37 HA 0.03 0.28 0.53 -0.75 4.29 4.38 2b4gB1 GLU 37 HB2 0.12 -0.23 -0.23 -0.04 2.09 1.71 2b4gB1 GLU 37 HB3 0.08 0.04 0.01 -0.04 1.99 2.08 2b4gB1 GLU 37 HG2 0.05 -0.04 0.03 -0.04 2.34 2.35 2b4gB1 GLU 37 HG3 0.05 -0.09 0.02 -0.04 2.34 2.28 2b4gB1 SER 38 H -0.18 -0.02 -0.45 -0.55 8.46 7.26 2b4gB1 SER 38 HA -0.15 -0.16 0.25 -0.75 4.49 3.67 2b4gB1 SER 38 HB2 -0.59 0.01 -0.01 -0.04 3.95 3.32 2b4gB1 SER 38 HB3 -1.40 -0.21 0.03 -0.04 3.93 2.30 2b4gB1 GLY 39 H 0.07 0.01 0.20 -0.55 8.43 8.17 2b4gB1 GLY 39 HA2 0.09 0.03 0.69 -0.51 4.01 4.31 2b4gB1 GLY 39 HA3 0.11 0.14 0.44 -0.51 4.01 4.19 2b4gB1 SER 40 H -0.02 0.33 0.09 -0.55 8.46 8.32 2b4gB1 SER 40 HA 0.12 0.27 0.37 -0.75 4.49 4.49 2b4gB1 SER 40 HB2 0.58 0.10 -0.21 -0.04 3.95 4.37 2b4gB1 SER 40 HB3 0.19 -0.14 -0.16 -0.04 3.93 3.77 2b4gB1 LEU 41 H 0.17 0.43 0.20 -0.55 8.37 8.62 2b4gB1 LEU 41 HA -0.01 -0.10 0.49 -0.75 4.35 3.98 2b4gB1 LEU 41 HB2 -0.00 -0.09 0.06 -0.04 1.64 1.57 2b4gB1 LEU 41 HB3 -0.01 0.18 -0.28 -0.04 1.64 1.49 2b4gB1 LEU 41 HG 0.01 -0.04 -0.43 -0.04 1.64 1.14 2b4gB1 LEU 41 HD13 0.06 -0.02 -0.13 -0.04 0.93 0.80 2b4gB1 LEU 41 HD23 -0.03 0.06 -0.18 -0.04 0.89 0.70 2b4gB1 ILE 42 H 0.02 0.20 0.06 -0.55 8.25 7.98 2b4gB1 ILE 42 HA 0.14 0.42 0.90 -0.75 4.18 4.88 2b4gB1 ILE 42 HB -0.02 0.05 -0.31 -0.04 1.89 1.58 2b4gB1 ILE 42 HG12 0.02 0.08 -0.30 -0.04 1.49 1.24 2b4gB1 ILE 42 HG13 0.13 -0.03 -0.40 -0.04 1.21 0.87 2b4gB1 ILE 42 HG23 -0.02 -0.03 -0.29 -0.04 0.93 0.55 2b4gB1 ILE 42 HD13 0.03 -0.01 -0.25 -0.04 0.88 0.61 2b4gB1 GLY 43 H 0.05 0.45 0.18 -0.55 8.43 8.57 2b4gB1 GLY 43 HA2 -0.02 0.13 0.58 -0.51 4.01 4.19 2b4gB1 GLY 43 HA3 -0.07 0.07 0.37 -0.51 4.01 3.87 2b4gB1 LYS 44 H -0.11 0.54 0.15 -0.55 8.42 8.45 2b4gB1 LYS 44 HA -0.08 -0.21 0.43 -0.75 4.32 3.70 2b4gB1 LYS 44 HB2 -0.02 -0.13 -0.14 -0.04 1.87 1.54 2b4gB1 LYS 44 HB3 -0.14 0.03 0.08 -0.04 1.79 1.72 2b4gB1 LYS 44 HG2 0.02 0.12 0.01 -0.04 1.46 1.57 2b4gB1 LYS 44 HG3 -0.08 0.22 -0.43 -0.04 1.46 1.12 2b4gB1 LYS 44 HD2 -0.03 -0.21 0.03 -0.04 1.69 1.44 2b4gB1 LYS 44 HD3 0.00 -0.02 0.03 -0.04 1.68 1.65 2b4gB1 LYS 44 HE2 0.01 0.34 -0.17 -0.04 2.99 3.13 2b4gB1 LYS 44 HE3 -0.02 0.09 -0.10 -0.04 2.99 2.92 2b4gB1 SER 45 H -0.08 -0.01 0.03 -0.55 8.46 7.86 2b4gB1 SER 45 HA -0.10 0.09 0.18 -0.75 4.49 3.90 2b4gB1 SER 45 HB2 -0.04 -0.06 0.03 -0.04 3.95 3.83 2b4gB1 SER 45 HB3 -0.05 0.07 -0.14 -0.04 3.93 3.77 2b4gB1 CYS 46 H -0.12 0.39 0.26 -0.55 8.50 8.48 2b4gB1 CYS 46 HA -0.01 0.14 0.68 -0.75 4.58 4.63 2b4gB1 CYS 46 HB2 0.18 -0.11 -0.09 -0.04 2.97 2.90 2b4gB1 CYS 46 HB3 -0.33 0.11 -0.04 -0.04 2.97 2.67 2b4gB1 THR 47 H 0.08 0.15 0.11 -0.55 8.28 8.08 2b4gB1 THR 47 HA 0.03 0.12 0.63 -0.75 4.39 4.42 2b4gB1 THR 47 HB 0.03 -0.14 0.14 -0.04 4.32 4.31 2b4gB1 THR 47 HG23 0.01 0.04 -0.12 -0.04 1.22 1.10 2b4gB1 LEU 48 H 0.03 0.13 0.14 -0.55 8.37 8.12 2b4gB1 LEU 48 HA 0.05 0.03 0.31 -0.75 4.35 3.98 2b4gB1 LEU 48 HB2 0.02 -0.06 0.18 -0.04 1.64 1.74 2b4gB1 LEU 48 HB3 0.02 0.08 -0.03 -0.04 1.64 1.68 2b4gB1 LEU 48 HG 0.02 0.01 0.08 -0.04 1.64 1.71 2b4gB1 LEU 48 HD13 0.01 0.00 0.03 -0.04 0.93 0.94 2b4gB1 LEU 48 HD23 0.02 0.01 -0.04 -0.04 0.89 0.84 2b4gB1 ALA 49 H 0.04 0.05 -0.13 -0.55 8.40 7.80 2b4gB1 ALA 49 HA 0.04 0.20 0.88 -0.75 4.34 4.71 2b4gB1 ALA 49 HB3 0.02 0.02 0.04 -0.04 1.41 1.45 2b4gB1 PRO 50 HA 0.05 -0.01 0.31 -0.51 4.44 4.28 2b4gB1 PRO 50 HB2 0.01 -0.01 -0.02 -0.04 2.28 2.21 2b4gB1 PRO 50 HB3 -0.00 0.05 0.06 -0.04 2.02 2.09 2b4gB1 PRO 50 HG2 0.01 0.02 0.09 -0.04 2.03 2.10 2b4gB1 PRO 50 HG3 0.02 0.31 0.07 -0.04 2.03 2.39 2b4gB1 PRO 50 HD2 0.02 0.09 0.22 -0.04 3.68 3.96 2b4gB1 PRO 50 HD3 0.04 0.11 0.22 -0.04 3.65 3.97 2b4gB1 ARG 51 H 0.03 0.72 0.38 -0.55 8.46 9.04 2b4gB1 ARG 51 HA 0.02 0.12 0.96 -0.75 4.34 4.68 2b4gB1 ARG 51 HB2 0.03 0.04 -0.17 -0.04 1.90 1.76 2b4gB1 ARG 51 HB3 0.03 0.11 0.18 -0.04 1.80 2.08 2b4gB1 ARG 51 HG2 0.02 -0.11 -0.06 -0.04 1.67 1.47 2b4gB1 ARG 51 HG3 0.02 -0.02 0.07 -0.04 1.67 1.70 2b4gB1 ARG 51 HD2 0.02 -0.12 -0.01 -0.04 3.22 3.07 2b4gB1 ARG 51 HD3 0.02 0.23 0.02 -0.04 3.22 3.45 2b4gB1 THR 52 H 0.01 0.13 0.17 -0.55 8.28 8.05 2b4gB1 THR 52 HA 0.01 0.08 0.41 -0.75 4.39 4.13 2b4gB1 THR 52 HB 0.01 -0.04 0.09 -0.04 4.32 4.33 2b4gB1 THR 52 HG23 0.01 0.02 -0.06 -0.04 1.22 1.15 2b4gB1 GLY 53 H 0.01 -0.05 0.02 -0.55 8.43 7.87 2b4gB1 GLY 53 HA2 0.02 0.22 0.21 -0.51 4.01 3.94 2b4gB1 GLY 53 HA3 0.02 0.16 0.59 -0.51 4.01 4.27 2b4gB1 ASN 54 H 0.02 0.65 0.35 -0.55 8.53 9.01 2b4gB1 ASN 54 HA 0.02 0.05 0.61 -0.75 4.76 4.68 2b4gB1 ASN 54 HB2 0.03 0.19 0.10 -0.04 2.88 3.17 2b4gB1 ASN 54 HB3 0.03 -0.02 0.16 -0.04 2.79 2.92 2b4gB1 ASN 54 HD21 0.02 0.32 0.06 -0.04 7.03 7.39 2b4gB1 ASN 54 HD22 0.03 0.39 -0.09 -0.04 7.74 8.03 2b4gB1 PRO 55 HA 0.02 0.05 0.54 -0.51 4.44 4.54 2b4gB1 PRO 55 HB2 0.02 0.13 -0.07 -0.04 2.28 2.32 2b4gB1 PRO 55 HB3 0.02 0.01 0.09 -0.04 2.02 2.09 2b4gB1 PRO 55 HG2 0.02 -0.01 -0.05 -0.04 2.03 1.96 2b4gB1 PRO 55 HG3 0.01 0.02 0.04 -0.04 2.03 2.06 2b4gB1 PRO 55 HD2 0.02 0.03 0.23 -0.04 3.68 3.93 2b4gB1 PRO 55 HD3 0.02 0.13 0.20 -0.04 3.65 3.95 2b4gB1 GLU 56 H 0.03 0.09 0.15 -0.55 8.60 8.33 2b4gB1 GLU 56 HA 0.05 -0.03 0.49 -0.75 4.29 4.04 2b4gB1 GLU 56 HB2 0.03 0.03 0.12 -0.04 2.09 2.23 2b4gB1 GLU 56 HB3 0.05 -0.03 0.12 -0.04 1.99 2.10 2b4gB1 GLU 56 HG2 0.05 -0.09 0.03 -0.04 2.34 2.29 2b4gB1 GLU 56 HG3 0.03 0.10 0.04 -0.04 2.34 2.47 2b4gB1 PRO 57 HA 0.08 -0.05 0.48 -0.51 4.44 4.43 2b4gB1 PRO 57 HB2 0.11 0.15 0.09 -0.04 2.28 2.59 2b4gB1 PRO 57 HB3 0.11 0.01 0.17 -0.04 2.02 2.27 2b4gB1 PRO 57 HG2 0.05 0.18 0.12 -0.04 2.03 2.35 2b4gB1 PRO 57 HG3 0.07 0.01 0.11 -0.04 2.03 2.17 2b4gB1 PRO 57 HD2 0.03 0.00 0.18 -0.04 3.68 3.86 2b4gB1 PRO 57 HD3 0.04 0.17 0.47 -0.04 3.65 4.28 2b4gB1 ARG 58 H 0.11 0.04 0.21 -0.55 8.46 8.27 2b4gB1 ARG 58 HA 0.06 0.22 0.84 -0.75 4.34 4.71 2b4gB1 ARG 58 HB2 0.06 -0.00 -0.20 -0.04 1.90 1.72 2b4gB1 ARG 58 HB3 0.05 0.35 -0.24 -0.04 1.80 1.92 2b4gB1 ARG 58 HG2 0.08 -0.12 0.01 -0.04 1.67 1.60 2b4gB1 ARG 58 HG3 0.09 -0.13 -0.18 -0.04 1.67 1.42 2b4gB1 ARG 58 HD2 0.05 0.08 0.08 -0.04 3.22 3.39 2b4gB1 ARG 58 HD3 0.04 0.21 -0.25 -0.04 3.22 3.18 2b4gB1 TYR 59 H 0.19 0.15 0.17 -0.55 8.29 8.25 2b4gB1 TYR 59 HA 0.03 0.24 0.81 -0.75 4.56 4.89 2b4gB1 TYR 59 HB2 0.00 -0.02 0.00 -0.04 3.06 3.00 2b4gB1 TYR 59 HB3 0.03 -0.01 0.08 -0.04 2.98 3.03 2b4gB1 TYR 59 HD2 -0.09 -0.02 -0.19 -0.04 7.15 6.81 2b4gB1 TYR 59 HE2 -0.26 -0.04 -0.13 -0.04 6.85 6.38 2b4gB1 PHE 60 H -0.45 0.58 0.23 -0.55 8.34 8.15 2b4gB1 PHE 60 HA -0.03 0.13 0.69 -0.75 4.62 4.66 2b4gB1 PHE 60 HB2 -0.07 0.10 -0.26 -0.04 3.15 2.88 2b4gB1 PHE 60 HB3 -0.14 -0.08 -0.02 -0.04 3.06 2.78 2b4gB1 PHE 60 HD2 -0.03 -0.03 -0.15 -0.04 7.28 7.04 2b4gB1 PHE 60 HE2 0.00 -0.03 -0.00 -0.04 7.38 7.31 2b4gB1 PHE 60 HZ 0.00 -0.03 0.01 -0.04 7.32 7.25 2b4gB1 GLY 61 H -0.51 0.18 0.12 -0.55 8.43 7.67 2b4gB1 GLY 61 HA2 -0.20 0.07 0.76 -0.51 4.01 4.13 2b4gB1 GLY 61 HA3 -0.11 0.05 0.33 -0.51 4.01 3.77 2b4gB1 LEU 62 H 0.00 0.72 0.34 -0.55 8.37 8.88 2b4gB1 LEU 62 HA 0.09 0.23 0.76 -0.75 4.35 4.67 2b4gB1 LEU 62 HB2 0.19 -0.15 -0.31 -0.04 1.64 1.33 2b4gB1 LEU 62 HB3 0.18 -0.02 -0.03 -0.04 1.64 1.73 2b4gB1 LEU 62 HG 0.19 0.03 -0.61 -0.04 1.64 1.22 2b4gB1 LEU 62 HD13 0.12 -0.02 -0.29 -0.04 0.93 0.70 2b4gB1 LEU 62 HD23 0.27 0.03 -0.13 -0.04 0.89 1.03 2b4gB1 PRO 63 HA -0.01 0.12 0.53 -0.51 4.44 4.57 2b4gB1 PRO 63 HB2 -0.02 -0.00 0.05 -0.04 2.28 2.26 2b4gB1 PRO 63 HB3 -0.02 0.07 0.10 -0.04 2.02 2.12 2b4gB1 PRO 63 HG2 0.03 0.07 0.09 -0.04 2.03 2.17 2b4gB1 PRO 63 HG3 0.02 0.08 0.09 -0.04 2.03 2.18 2b4gB1 PRO 63 HD2 0.08 0.08 0.20 -0.04 3.68 4.00 2b4gB1 PRO 63 HD3 0.07 0.21 0.18 -0.04 3.65 4.07 2b4gB1 LEU 64 H -0.07 0.11 -0.19 -0.55 8.37 7.67 2b4gB1 LEU 64 HA -0.23 0.24 0.88 -0.75 4.35 4.49 2b4gB1 LEU 64 HB2 -0.94 0.02 0.01 -0.04 1.64 0.69 2b4gB1 LEU 64 HB3 -0.67 -0.05 0.12 -0.04 1.64 1.01 2b4gB1 LEU 64 HG -0.14 -0.03 -0.07 -0.04 1.64 1.36 2b4gB1 LEU 64 HD13 -0.15 0.02 -0.03 -0.04 0.93 0.73 2b4gB1 LEU 64 HD23 -0.15 0.05 -0.17 -0.04 0.89 0.57 2b4gB1 GLY 65 H 0.03 0.44 -0.38 -0.55 8.43 7.98 2b4gB1 GLY 65 HA2 0.20 -0.10 0.31 -0.51 4.01 3.92 2b4gB1 GLY 65 HA3 0.21 0.25 1.05 -0.51 4.01 5.02 2b4gB1 SER 66 H 0.20 0.58 0.34 -0.55 8.46 9.04 2b4gB1 SER 66 HA -0.12 0.25 0.88 -0.75 4.49 4.75 2b4gB1 SER 66 HB2 -0.55 0.09 -0.01 -0.04 3.95 3.44 2b4gB1 SER 66 HB3 -0.04 0.02 -0.23 -0.04 3.93 3.65 2b4gB1 ILE 67 H -0.26 0.61 0.29 -0.55 8.25 8.34 2b4gB1 ILE 67 HA -0.08 0.41 0.69 -0.75 4.18 4.45 2b4gB1 ILE 67 HB -0.09 -0.01 -0.12 -0.04 1.89 1.63 2b4gB1 ILE 67 HG12 -0.06 -0.02 -0.39 -0.04 1.49 0.98 2b4gB1 ILE 67 HG13 -0.07 0.03 -0.42 -0.04 1.21 0.71 2b4gB1 ILE 67 HG23 -0.03 0.00 -0.07 -0.04 0.93 0.79 2b4gB1 ILE 67 HD13 -0.12 0.01 -0.19 -0.04 0.88 0.55 2b4gB1 ASN 68 H -0.03 0.56 0.22 -0.55 8.53 8.73 2b4gB1 ASN 68 HA 0.00 0.31 0.86 -0.75 4.76 5.17 2b4gB1 ASN 68 HB2 0.16 0.08 0.20 -0.04 2.88 3.28 2b4gB1 ASN 68 HB3 0.07 -0.07 -0.17 -0.04 2.79 2.58 2b4gB1 ASN 68 HD21 0.04 -0.04 -0.06 -0.04 7.03 6.93 2b4gB1 ASN 68 HD22 0.04 0.02 -0.10 -0.04 7.74 7.66 2b4gB1 SER 69 H 0.06 0.84 0.20 -0.55 8.46 9.00 2b4gB1 SER 69 HA 0.03 -0.01 0.55 -0.75 4.49 4.31 2b4gB1 SER 69 HB2 0.04 0.09 -0.06 -0.04 3.95 3.98 2b4gB1 SER 69 HB3 0.04 0.04 0.16 -0.04 3.93 4.13 2b4gB1 MET 70 H 0.05 0.05 0.00 -0.55 8.47 8.03 2b4gB1 MET 70 HA 0.06 0.14 0.33 -0.75 4.52 4.29 2b4gB1 MET 70 HB2 0.04 -0.15 0.11 -0.04 2.15 2.11 2b4gB1 MET 70 HB3 0.04 0.10 0.07 -0.04 2.03 2.21 2b4gB1 MET 70 HG2 0.08 -0.07 0.06 -0.04 2.63 2.67 2b4gB1 MET 70 HG3 0.07 0.04 0.03 -0.04 2.56 2.66 2b4gB1 MET 70 HE3 0.05 0.01 -0.00 -0.04 2.10 2.13 2b4gB1 GLY 71 H 0.02 -0.03 -0.13 -0.55 8.43 7.75 2b4gB1 GLY 71 HA2 0.01 0.04 0.08 -0.51 4.01 3.64 2b4gB1 GLY 71 HA3 0.02 0.13 0.54 -0.51 4.01 4.20 2b4gB1 LEU 72 H 0.02 -0.09 -0.10 -0.55 8.37 7.65 2b4gB1 LEU 72 HA 0.01 -0.00 0.17 -0.75 4.35 3.77 2b4gB1 LEU 72 HB2 0.01 0.15 -0.29 -0.04 1.64 1.46 2b4gB1 LEU 72 HB3 0.00 0.05 0.03 -0.04 1.64 1.69 2b4gB1 LEU 72 HG -0.01 -0.16 -0.18 -0.04 1.64 1.26 2b4gB1 LEU 72 HD13 -0.01 0.03 -0.13 -0.04 0.93 0.78 2b4gB1 LEU 72 HD23 -0.02 0.01 -0.08 -0.04 0.89 0.76 2b4gB1 PRO 73 HA 0.02 0.24 0.28 -0.51 4.44 4.47 2b4gB1 PRO 73 HB2 0.02 -0.05 -0.01 -0.04 2.28 2.20 2b4gB1 PRO 73 HB3 0.02 0.34 -0.11 -0.04 2.02 2.22 2b4gB1 PRO 73 HG2 0.02 -0.07 0.06 -0.04 2.03 2.01 2b4gB1 PRO 73 HG3 0.03 0.09 0.02 -0.04 2.03 2.12 2b4gB1 PRO 73 HD2 0.02 -0.11 -0.01 -0.04 3.68 3.54 2b4gB1 PRO 73 HD3 0.02 0.17 -0.66 -0.04 3.65 3.14 2b4gB1 ASN 74 H 0.04 0.53 0.45 -0.55 8.53 9.00 2b4gB1 ASN 74 HA 0.11 0.07 0.49 -0.75 4.76 4.67 2b4gB1 ASN 74 HB2 0.22 -0.07 0.06 -0.04 2.88 3.05 2b4gB1 ASN 74 HB3 0.05 0.24 -0.40 -0.04 2.79 2.64 2b4gB1 ASN 74 HD21 0.06 -0.09 0.02 -0.04 7.03 6.98 2b4gB1 ASN 74 HD22 0.04 0.49 -0.02 -0.04 7.74 8.21 2b4gB1 LEU 75 H 0.30 0.21 0.16 -0.55 8.37 8.50 2b4gB1 LEU 75 HA -0.07 0.13 0.42 -0.75 4.35 4.08 2b4gB1 LEU 75 HB2 -0.51 0.06 0.15 -0.04 1.64 1.29 2b4gB1 LEU 75 HB3 -0.42 -0.01 0.14 -0.04 1.64 1.30 2b4gB1 LEU 75 HG -0.39 0.03 0.05 -0.04 1.64 1.29 2b4gB1 LEU 75 HD13 -0.15 0.02 -0.13 -0.04 0.93 0.62 2b4gB1 LEU 75 HD23 -1.50 0.02 0.08 -0.04 0.89 -0.55 2b4gB1 GLY 76 H 0.24 -0.01 -0.35 -0.55 8.43 7.76 2b4gB1 GLY 76 HA2 0.13 0.27 -0.05 -0.51 4.01 3.85 2b4gB1 GLY 76 HA3 0.09 0.16 0.48 -0.51 4.01 4.24 2b4gB1 VAL 77 H 0.13 0.57 0.12 -0.55 8.24 8.50 2b4gB1 VAL 77 HA 0.29 -0.00 0.20 -0.75 4.13 3.87 2b4gB1 VAL 77 HB 0.09 -0.02 -0.13 -0.04 2.12 2.02 2b4gB1 VAL 77 HG13 0.06 0.06 0.00 -0.04 0.97 1.06 2b4gB1 VAL 77 HG23 0.08 0.01 -0.07 -0.04 0.95 0.92 2b4gB1 ASP 78 H 0.10 0.17 -0.25 -0.55 8.40 7.86 2b4gB1 ASP 78 HA 0.06 0.10 0.34 -0.75 4.63 4.37 2b4gB1 ASP 78 HB2 0.06 0.01 0.06 -0.04 2.71 2.80 2b4gB1 ASP 78 HB3 0.04 0.03 -0.01 -0.04 2.70 2.72 2b4gB1 PHE 79 H 0.13 0.28 -0.20 -0.55 8.34 7.99 2b4gB1 PHE 79 HA -0.08 0.05 0.47 -0.75 4.62 4.32 2b4gB1 PHE 79 HB2 -0.17 0.05 0.09 -0.04 3.15 3.08 2b4gB1 PHE 79 HB3 -0.43 0.12 0.00 -0.04 3.06 2.72 2b4gB1 PHE 79 HD2 -1.00 0.02 -0.06 -0.04 7.28 6.21 2b4gB1 PHE 79 HE2 -0.20 0.04 -0.09 -0.04 7.38 7.08 2b4gB1 PHE 79 HZ -0.14 -0.15 -0.13 -0.04 7.32 6.86 2b4gB1 TYR 80 H -0.00 0.29 -0.23 -0.55 8.29 7.79 2b4gB1 TYR 80 HA -0.18 0.01 0.38 -0.75 4.56 4.01 2b4gB1 TYR 80 HB2 0.07 0.10 0.06 -0.04 3.06 3.24 2b4gB1 TYR 80 HB3 0.05 0.00 0.01 -0.04 2.98 3.01 2b4gB1 TYR 80 HD2 0.10 0.02 -0.11 -0.04 7.15 7.12 2b4gB1 TYR 80 HE2 0.13 -0.10 0.02 -0.04 6.85 6.87 2b4gB1 LEU 81 H 0.09 0.49 -0.14 -0.55 8.37 8.26 2b4gB1 LEU 81 HA 0.08 0.05 0.39 -0.75 4.35 4.12 2b4gB1 LEU 81 HB2 0.04 0.02 0.12 -0.04 1.64 1.79 2b4gB1 LEU 81 HB3 0.04 0.04 -0.04 -0.04 1.64 1.64 2b4gB1 LEU 81 HG 0.10 0.11 -0.02 -0.04 1.64 1.79 2b4gB1 LEU 81 HD13 0.05 0.00 -0.18 -0.04 0.93 0.77 2b4gB1 LEU 81 HD23 0.07 0.01 -0.10 -0.04 0.89 0.83 2b4gB1 SER 82 H -0.05 0.59 -0.08 -0.55 8.46 8.38 2b4gB1 SER 82 HA -0.02 0.07 0.57 -0.75 4.49 4.35 2b4gB1 SER 82 HB2 -0.02 0.03 0.12 -0.04 3.95 4.04 2b4gB1 SER 82 HB3 -0.12 0.06 0.15 -0.04 3.93 3.98 2b4gB1 TYR 83 H -0.22 0.58 -0.11 -0.55 8.29 7.99 2b4gB1 TYR 83 HA -0.16 -0.06 0.53 -0.75 4.56 4.11 2b4gB1 TYR 83 HB2 -0.64 -0.05 0.08 -0.04 3.06 2.42 2b4gB1 TYR 83 HB3 -0.26 0.16 0.16 -0.04 2.98 3.00 2b4gB1 TYR 83 HD2 -0.06 0.02 -0.10 -0.04 7.15 6.97 2b4gB1 TYR 83 HE2 -0.05 0.04 -0.17 -0.04 6.85 6.63 2b4gB1 ALA 84 H 0.09 0.62 -0.08 -0.55 8.40 8.48 2b4gB1 ALA 84 HA -0.03 0.01 0.38 -0.75 4.34 3.96 2b4gB1 ALA 84 HB3 0.13 0.01 0.01 -0.04 1.41 1.51 2b4gB1 ALA 85 H 0.01 0.39 -0.25 -0.55 8.40 8.01 2b4gB1 ALA 85 HA 0.03 0.08 0.52 -0.75 4.34 4.22 2b4gB1 ALA 85 HB3 0.01 -0.04 0.12 -0.04 1.41 1.46 2b4gB1 GLN 86 H -0.04 0.44 0.03 -0.55 8.47 8.35 2b4gB1 GLN 86 HA -0.01 0.20 0.75 -0.75 4.36 4.55 2b4gB1 GLN 86 HB2 -0.03 0.05 0.13 -0.04 2.15 2.25 2b4gB1 GLN 86 HB3 -0.02 -0.05 -0.09 -0.04 2.02 1.82 2b4gB1 GLN 86 HG2 -0.01 -0.06 -0.02 -0.04 2.40 2.27 2b4gB1 GLN 86 HG3 -0.01 0.08 -0.10 -0.04 2.39 2.32 2b4gB1 GLN 86 HE21 -0.00 -0.03 -0.02 -0.04 6.97 6.87 2b4gB1 GLN 86 HE22 -0.00 0.09 -0.17 -0.04 7.69 7.56 2b4gB1 THR 87 H -0.16 0.25 0.21 -0.55 8.28 8.03 2b4gB1 THR 87 HA -0.08 0.07 0.28 -0.75 4.39 3.91 2b4gB1 THR 87 HB -0.31 0.01 0.18 -0.04 4.32 4.15 2b4gB1 THR 87 HG23 0.06 -0.04 -0.10 -0.04 1.22 1.11 2b4gB1 HIS 88 H -0.53 0.66 0.08 -0.55 8.41 8.08 2b4gB1 HIS 88 HA -0.47 -0.10 0.27 -0.75 4.63 3.58 2b4gB1 HIS 88 HB2 -1.20 -0.12 -0.11 -0.04 3.26 1.78 2b4gB1 HIS 88 HB3 -0.73 0.13 -0.02 -0.04 3.20 2.54 2b4gB1 HIS 88 HD2 -2.00 -0.00 -0.35 -0.04 6.97 4.57 2b4gB1 HIS 88 HE1 -0.06 -0.02 -0.15 -0.04 7.75 7.47 2b4gB1 ASP 89 H -0.63 0.07 0.16 -0.55 8.40 7.45 2b4gB1 ASP 89 HA -0.20 0.12 0.66 -0.75 4.63 4.46 2b4gB1 ASP 89 HB2 -0.19 0.06 0.15 -0.04 2.71 2.68 2b4gB1 ASP 89 HB3 -0.31 0.00 0.23 -0.04 2.70 2.59 2b4gB1 TYR 90 H 0.06 0.31 0.17 -0.55 8.29 8.29 2b4gB1 TYR 90 HA 0.03 0.31 0.36 -0.75 4.56 4.51 2b4gB1 TYR 90 HB2 -0.02 -0.03 0.10 -0.04 3.06 3.07 2b4gB1 TYR 90 HB3 0.01 0.04 0.06 -0.04 2.98 3.04 2b4gB1 TYR 90 HD2 0.01 -0.00 0.06 -0.04 7.15 7.18 2b4gB1 TYR 90 HE2 -0.03 0.06 -0.03 -0.04 6.85 6.81 2b4gB1 SER 91 H -0.01 -0.01 -0.24 -0.55 8.46 7.65 2b4gB1 SER 91 HA 0.01 0.13 0.48 -0.75 4.49 4.36 2b4gB1 SER 91 HB2 -0.01 0.01 0.08 -0.04 3.95 3.99 2b4gB1 SER 91 HB3 -0.00 -0.03 0.06 -0.04 3.93 3.92 2b4gB1 ARG 92 H -0.10 0.18 -0.41 -0.55 8.46 7.58 2b4gB1 ARG 92 HA -0.03 0.05 0.65 -0.75 4.34 4.25 2b4gB1 ARG 92 HB2 -0.09 -0.17 0.07 -0.04 1.90 1.66 2b4gB1 ARG 92 HB3 -0.15 0.15 0.19 -0.04 1.80 1.95 2b4gB1 ARG 92 HG2 -0.04 0.07 -0.01 -0.04 1.67 1.66 2b4gB1 ARG 92 HG3 -0.02 0.05 -0.07 -0.04 1.67 1.58 2b4gB1 ARG 92 HD2 -0.03 -0.10 0.02 -0.04 3.22 3.07 2b4gB1 ARG 92 HD3 -0.04 -0.15 -0.04 -0.04 3.22 2.95 2b4gB1 LYS 93 H -0.03 0.31 0.10 -0.55 8.42 8.25 2b4gB1 LYS 93 HA -0.02 0.11 0.38 -0.75 4.32 4.04 2b4gB1 LYS 93 HB2 0.05 0.18 0.17 -0.04 1.87 2.23 2b4gB1 LYS 93 HB3 0.03 0.14 0.00 -0.04 1.79 1.92 2b4gB1 LYS 93 HG2 0.09 -0.13 -0.14 -0.04 1.46 1.24 2b4gB1 LYS 93 HG3 0.12 0.02 -0.25 -0.04 1.46 1.31 2b4gB1 LYS 93 HD2 0.04 -0.19 -0.35 -0.04 1.69 1.15 2b4gB1 LYS 93 HD3 0.02 -0.04 -0.51 -0.04 1.68 1.11 2b4gB1 LYS 93 HE2 0.01 0.13 -0.14 -0.04 2.99 2.95 2b4gB1 LYS 93 HE3 0.01 -0.05 -0.06 -0.04 2.99 2.86 2b4gB1 PRO 94 HA 0.05 0.13 0.64 -0.51 4.44 4.76 2b4gB1 PRO 94 HB2 -0.39 -0.08 -0.11 -0.04 2.28 1.66 2b4gB1 PRO 94 HB3 -0.66 0.11 0.09 -0.04 2.02 1.52 2b4gB1 PRO 94 HG2 -1.60 -0.04 -0.01 -0.04 2.03 0.34 2b4gB1 PRO 94 HG3 -0.51 0.07 0.05 -0.04 2.03 1.60 2b4gB1 PRO 94 HD2 -0.14 0.23 0.34 -0.04 3.68 4.07 2b4gB1 PRO 94 HD3 -0.19 0.19 0.22 -0.04 3.65 3.83 2b4gB1 LEU 95 H -0.07 0.28 0.14 -0.55 8.37 8.18 2b4gB1 LEU 95 HA -0.08 0.17 0.94 -0.75 4.35 4.63 2b4gB1 LEU 95 HB2 -0.98 0.04 -0.17 -0.04 1.64 0.49 2b4gB1 LEU 95 HB3 -0.19 0.03 0.02 -0.04 1.64 1.47 2b4gB1 LEU 95 HG 0.00 -0.05 -0.53 -0.04 1.64 1.02 2b4gB1 LEU 95 HD13 -0.05 -0.01 -0.10 -0.04 0.93 0.73 2b4gB1 LEU 95 HD23 -0.03 -0.02 -0.14 -0.04 0.89 0.66 2b4gB1 PHE 96 H 0.30 0.63 0.35 -0.55 8.34 9.07 2b4gB1 PHE 96 HA 0.09 0.29 0.99 -0.75 4.62 5.24 2b4gB1 PHE 96 HB2 0.06 -0.10 -0.00 -0.04 3.15 3.07 2b4gB1 PHE 96 HB3 0.12 -0.04 -0.12 -0.04 3.06 2.98 2b4gB1 PHE 96 HD2 0.16 0.04 -0.24 -0.04 7.28 7.20 2b4gB1 PHE 96 HE2 -0.18 0.02 -0.23 -0.04 7.38 6.96 2b4gB1 PHE 96 HZ -0.09 0.02 -0.22 -0.04 7.32 7.00 2b4gB1 LEU 97 H 0.18 0.77 0.26 -0.55 8.37 9.03 2b4gB1 LEU 97 HA 0.06 -0.09 0.73 -0.75 4.35 4.30 2b4gB1 LEU 97 HB2 0.07 0.05 -0.02 -0.04 1.64 1.71 2b4gB1 LEU 97 HB3 0.03 0.01 -0.11 -0.04 1.64 1.53 2b4gB1 LEU 97 HG 0.11 0.06 -0.29 -0.04 1.64 1.48 2b4gB1 LEU 97 HD13 0.13 0.02 -0.24 -0.04 0.93 0.80 2b4gB1 LEU 97 HD23 0.13 0.02 0.05 -0.04 0.89 1.04 2b4gB1 SER 98 H -0.02 0.30 -0.02 -0.55 8.46 8.17 2b4gB1 SER 98 HA 0.01 0.35 0.92 -0.75 4.49 5.02 2b4gB1 SER 98 HB2 -0.01 -0.04 -0.02 -0.04 3.95 3.84 2b4gB1 SER 98 HB3 -0.07 0.11 -0.14 -0.04 3.93 3.79 2b4gB1 MET 99 H -0.04 0.59 0.34 -0.55 8.47 8.81 2b4gB1 MET 99 HA -0.05 0.06 0.89 -0.75 4.52 4.66 2b4gB1 MET 99 HB2 -0.08 0.01 0.06 -0.04 2.15 2.10 2b4gB1 MET 99 HB3 -0.05 -0.05 -0.00 -0.04 2.03 1.89 2b4gB1 MET 99 HG2 -0.03 0.08 -0.32 -0.04 2.63 2.31 2b4gB1 MET 99 HG3 -0.05 0.08 -0.39 -0.04 2.56 2.15 2b4gB1 MET 99 HE3 0.02 0.02 -0.17 -0.04 2.10 1.94 2b4gB1 SER 100 H -0.03 0.67 0.07 -0.55 8.46 8.62 2b4gB1 SER 100 HA -0.04 0.22 0.97 -0.75 4.49 4.89 2b4gB1 SER 100 HB2 -0.03 0.05 0.05 -0.04 3.95 3.98 2b4gB1 SER 100 HB3 -0.05 0.03 0.04 -0.04 3.93 3.92 2b4gB1 GLY 101 H 0.01 0.12 0.01 -0.55 8.43 8.04 2b4gB1 GLY 101 HA2 0.02 0.03 0.63 -0.51 4.01 4.18 2b4gB1 GLY 101 HA3 0.05 -0.05 0.32 -0.51 4.01 3.83 2b4gB1 LEU 102 H 0.03 0.11 0.18 -0.55 8.37 8.14 2b4gB1 LEU 102 HA 0.03 0.21 0.65 -0.75 4.35 4.48 2b4gB1 LEU 102 HB2 0.02 -0.05 0.04 -0.04 1.64 1.61 2b4gB1 LEU 102 HB3 0.02 0.08 0.14 -0.04 1.64 1.84 2b4gB1 LEU 102 HG 0.01 -0.07 0.09 -0.04 1.64 1.63 2b4gB1 LEU 102 HD13 0.01 0.02 0.00 -0.04 0.93 0.92 2b4gB1 LEU 102 HD23 0.00 0.03 -0.13 -0.04 0.89 0.75 2b4gB1 SER 103 H 0.08 0.04 -0.28 -0.55 8.46 7.75 2b4gB1 SER 103 HA 0.10 0.25 0.44 -0.75 4.49 4.53 2b4gB1 SER 103 HB2 -0.02 0.03 0.14 -0.04 3.95 4.06 2b4gB1 SER 103 HB3 0.02 0.21 -0.12 -0.04 3.93 3.99 2b4gB1 VAL 104 H -0.26 0.26 0.11 -0.55 8.24 7.80 2b4gB1 VAL 104 HA -0.73 0.00 0.41 -0.75 4.13 3.06 2b4gB1 VAL 104 HB -0.29 0.00 -0.08 -0.04 2.12 1.71 2b4gB1 VAL 104 HG13 -0.92 0.04 -0.05 -0.04 0.97 -0.01 2b4gB1 VAL 104 HG23 -0.24 0.00 0.09 -0.04 0.95 0.76 2b4gB1 GLU 105 H -0.11 0.13 -0.12 -0.55 8.60 7.95 2b4gB1 GLU 105 HA -0.07 0.16 0.29 -0.75 4.29 3.91 2b4gB1 GLU 105 HB2 -0.04 -0.05 0.04 -0.04 2.09 2.00 2b4gB1 GLU 105 HB3 -0.03 0.10 0.00 -0.04 1.99 2.02 2b4gB1 GLU 105 HG2 -0.04 0.10 0.02 -0.04 2.34 2.38 2b4gB1 GLU 105 HG3 -0.06 0.06 0.01 -0.04 2.34 2.32 2b4gB1 GLU 106 H -0.03 0.03 -0.29 -0.55 8.60 7.76 2b4gB1 GLU 106 HA -0.01 0.15 0.57 -0.75 4.29 4.25 2b4gB1 GLU 106 HB2 0.00 0.06 0.10 -0.04 2.09 2.22 2b4gB1 GLU 106 HB3 0.02 -0.09 0.16 -0.04 1.99 2.03 2b4gB1 GLU 106 HG2 0.01 0.03 -0.15 -0.04 2.34 2.20 2b4gB1 GLU 106 HG3 0.01 0.05 0.12 -0.04 2.34 2.48 2b4gB1 SER 107 H 0.00 0.46 -0.03 -0.55 8.46 8.34 2b4gB1 SER 107 HA -0.01 -0.01 0.52 -0.75 4.49 4.23 2b4gB1 SER 107 HB2 0.02 0.10 0.11 -0.04 3.95 4.14 2b4gB1 SER 107 HB3 0.01 0.05 0.03 -0.04 3.93 3.98 2b4gB1 VAL 108 H -0.07 0.66 -0.04 -0.55 8.24 8.25 2b4gB1 VAL 108 HA -0.06 0.07 0.45 -0.75 4.13 3.83 2b4gB1 VAL 108 HB -0.06 0.02 0.10 -0.04 2.12 2.14 2b4gB1 VAL 108 HG13 -0.03 0.01 -0.12 -0.04 0.97 0.79 2b4gB1 VAL 108 HG23 -0.09 0.04 -0.11 -0.04 0.95 0.75 2b4gB1 GLU 109 H -0.03 0.40 -0.22 -0.55 8.60 8.20 2b4gB1 GLU 109 HA -0.00 0.07 0.40 -0.75 4.29 4.00 2b4gB1 GLU 109 HB2 -0.01 0.04 0.24 -0.04 2.09 2.32 2b4gB1 GLU 109 HB3 0.00 -0.04 0.01 -0.04 1.99 1.92 2b4gB1 GLU 109 HG2 -0.01 0.00 0.05 -0.04 2.34 2.34 2b4gB1 GLU 109 HG3 -0.01 -0.05 0.04 -0.04 2.34 2.28 2b4gB1 MET 110 H -0.01 0.39 -0.17 -0.55 8.47 8.13 2b4gB1 MET 110 HA 0.01 0.04 0.46 -0.75 4.52 4.28 2b4gB1 MET 110 HB2 -0.02 0.07 0.11 -0.04 2.15 2.26 2b4gB1 MET 110 HB3 -0.00 -0.01 -0.07 -0.04 2.03 1.90 2b4gB1 MET 110 HG2 0.03 -0.03 -0.07 -0.04 2.63 2.52 2b4gB1 MET 110 HG3 0.01 0.15 0.04 -0.04 2.56 2.72 2b4gB1 MET 110 HE3 0.00 0.03 -0.21 -0.04 2.10 1.88 2b4gB1 VAL 111 H -0.06 0.57 -0.06 -0.55 8.24 8.15 2b4gB1 VAL 111 HA -0.10 0.01 0.41 -0.75 4.13 3.69 2b4gB1 VAL 111 HB -0.25 0.04 0.02 -0.04 2.12 1.89 2b4gB1 VAL 111 HG13 -0.30 0.01 -0.01 -0.04 0.97 0.63 2b4gB1 VAL 111 HG23 -0.07 0.03 0.00 -0.04 0.95 0.88 2b4gB1 LYS 112 H 0.01 0.50 -0.23 -0.55 8.42 8.15 2b4gB1 LYS 112 HA 0.06 0.18 0.53 -0.75 4.32 4.34 2b4gB1 LYS 112 HB2 0.01 0.08 0.16 -0.04 1.87 2.09 2b4gB1 LYS 112 HB3 0.02 -0.05 0.02 -0.04 1.79 1.74 2b4gB1 LYS 112 HG2 0.02 0.12 0.08 -0.04 1.46 1.64 2b4gB1 LYS 112 HG3 0.01 0.08 0.04 -0.04 1.46 1.55 2b4gB1 LYS 112 HD2 -0.00 -0.08 -0.07 -0.04 1.69 1.49 2b4gB1 LYS 112 HD3 0.01 -0.02 0.00 -0.04 1.68 1.63 2b4gB1 LYS 112 HE2 0.00 0.04 0.00 -0.04 2.99 2.99 2b4gB1 LYS 112 HE3 0.00 0.00 -0.01 -0.04 2.99 2.95 2b4gB1 LYS 113 H 0.03 0.31 -0.21 -0.55 8.42 8.00 2b4gB1 LYS 113 HA 0.03 0.04 0.43 -0.75 4.32 4.07 2b4gB1 LYS 113 HB2 0.03 0.12 0.16 -0.04 1.87 2.14 2b4gB1 LYS 113 HB3 0.04 -0.08 0.02 -0.04 1.79 1.72 2b4gB1 LYS 113 HG2 0.03 -0.03 0.04 -0.04 1.46 1.45 2b4gB1 LYS 113 HG3 0.02 0.09 0.09 -0.04 1.46 1.62 2b4gB1 LYS 113 HD2 0.02 -0.04 -0.01 -0.04 1.69 1.63 2b4gB1 LYS 113 HD3 0.03 -0.03 -0.03 -0.04 1.68 1.60 2b4gB1 LYS 113 HE2 0.03 -0.05 -0.00 -0.04 2.99 2.93 2b4gB1 LYS 113 HE3 0.04 -0.03 -0.06 -0.04 2.99 2.90 2b4gB1 LEU 114 H 0.06 0.30 -0.33 -0.55 8.37 7.86 2b4gB1 LEU 114 HA 0.08 -0.01 0.46 -0.75 4.35 4.12 2b4gB1 LEU 114 HB2 0.02 0.02 0.07 -0.04 1.64 1.72 2b4gB1 LEU 114 HB3 0.19 0.16 -0.03 -0.04 1.64 1.91 2b4gB1 LEU 114 HG 0.04 -0.08 -0.10 -0.04 1.64 1.46 2b4gB1 LEU 114 HD13 -0.04 0.00 -0.16 -0.04 0.93 0.69 2b4gB1 LEU 114 HD23 0.12 -0.01 -0.07 -0.04 0.89 0.88 2b4gB1 VAL 115 H 0.14 0.39 -0.24 -0.55 8.24 7.99 2b4gB1 VAL 115 HA 0.06 0.01 0.34 -0.75 4.13 3.79 2b4gB1 VAL 115 HB 0.04 0.17 0.23 -0.04 2.12 2.52 2b4gB1 VAL 115 HG13 -0.04 -0.02 -0.06 -0.04 0.97 0.80 2b4gB1 VAL 115 HG23 0.03 0.11 0.22 -0.04 0.95 1.27 2b4gB1 PRO 116 HA -0.00 0.06 0.48 -0.51 4.44 4.47 2b4gB1 PRO 116 HB2 0.01 0.01 -0.03 -0.04 2.28 2.23 2b4gB1 PRO 116 HB3 0.00 0.00 0.10 -0.04 2.02 2.09 2b4gB1 PRO 116 HG2 0.03 0.10 0.03 -0.04 2.03 2.14 2b4gB1 PRO 116 HG3 0.02 -0.01 0.06 -0.04 2.03 2.05 2b4gB1 PRO 116 HD2 0.05 0.15 -0.27 -0.04 3.68 3.57 2b4gB1 PRO 116 HD3 0.02 0.13 0.12 -0.04 3.65 3.88 2b4gB1 ILE 117 H 0.04 0.31 -0.33 -0.55 8.25 7.73 2b4gB1 ILE 117 HA 0.01 0.06 0.57 -0.75 4.18 4.06 2b4gB1 ILE 117 HB 0.06 0.10 0.15 -0.04 1.89 2.15 2b4gB1 ILE 117 HG12 0.02 -0.00 0.01 -0.04 1.49 1.48 2b4gB1 ILE 117 HG13 0.03 -0.05 -0.04 -0.04 1.21 1.11 2b4gB1 ILE 117 HG23 0.05 -0.01 -0.15 -0.04 0.93 0.79 2b4gB1 ILE 117 HD13 0.04 0.02 -0.00 -0.04 0.88 0.90 2b4gB1 THR 118 H 0.08 0.68 0.05 -0.55 8.28 8.54 2b4gB1 THR 118 HA 0.05 -0.14 0.63 -0.75 4.39 4.18 2b4gB1 THR 118 HB 0.06 0.11 0.14 -0.04 4.32 4.59 2b4gB1 THR 118 HG23 0.08 0.01 -0.11 -0.04 1.22 1.16 2b4gB1 LYS 119 H -0.01 0.59 -0.05 -0.55 8.42 8.40 2b4gB1 LYS 119 HA -0.03 0.04 0.44 -0.75 4.32 4.02 2b4gB1 LYS 119 HB2 -0.02 0.04 0.18 -0.04 1.87 2.03 2b4gB1 LYS 119 HB3 -0.03 -0.05 0.03 -0.04 1.79 1.69 2b4gB1 LYS 119 HG2 -0.05 -0.03 0.04 -0.04 1.46 1.38 2b4gB1 LYS 119 HG3 -0.05 0.11 0.07 -0.04 1.46 1.55 2b4gB1 LYS 119 HD2 -0.03 -0.05 -0.09 -0.04 1.69 1.48 2b4gB1 LYS 119 HD3 -0.03 -0.05 -0.00 -0.04 1.68 1.55 2b4gB1 LYS 119 HE2 -0.06 0.00 -0.01 -0.04 2.99 2.88 2b4gB1 LYS 119 HE3 -0.07 0.05 -0.05 -0.04 2.99 2.88 2b4gB1 GLU 120 H -0.03 0.42 -0.19 -0.55 8.60 8.26 2b4gB1 GLU 120 HA -0.05 -0.02 0.42 -0.75 4.29 3.90 2b4gB1 GLU 120 HB2 -0.03 0.06 0.19 -0.04 2.09 2.27 2b4gB1 GLU 120 HB3 -0.04 0.03 0.24 -0.04 1.99 2.17 2b4gB1 GLU 120 HG2 -0.06 0.05 -0.08 -0.04 2.34 2.21 2b4gB1 GLU 120 HG3 -0.03 -0.08 0.06 -0.04 2.34 2.24 2b4gB1 LYS 121 H -0.09 0.48 0.01 -0.55 8.42 8.27 2b4gB1 LYS 121 HA -0.30 0.17 0.81 -0.75 4.32 4.24 2b4gB1 LYS 121 HB2 -0.19 -0.03 0.07 -0.04 1.87 1.67 2b4gB1 LYS 121 HB3 -0.99 -0.03 0.09 -0.04 1.79 0.82 2b4gB1 LYS 121 HG2 -0.10 -0.17 -0.09 -0.04 1.46 1.07 2b4gB1 LYS 121 HG3 -0.03 0.10 0.13 -0.04 1.46 1.61 2b4gB1 LYS 121 HD2 -0.07 0.04 0.06 -0.04 1.69 1.68 2b4gB1 LYS 121 HD3 -0.23 -0.00 0.00 -0.04 1.68 1.41 2b4gB1 LYS 121 HE2 -0.06 -0.07 -0.03 -0.04 2.99 2.79 2b4gB1 LYS 121 HE3 -0.02 0.08 0.12 -0.04 2.99 3.13 2b4gB1 GLY 122 H -0.07 0.42 0.15 -0.55 8.43 8.38 2b4gB1 GLY 122 HA2 0.03 0.12 0.35 -0.51 4.01 4.00 2b4gB1 GLY 122 HA3 0.04 0.08 0.61 -0.51 4.01 4.23 2b4gB1 THR 123 H 0.00 0.05 0.02 -0.55 8.28 7.80 2b4gB1 THR 123 HA 0.08 0.17 0.54 -0.75 4.39 4.42 2b4gB1 THR 123 HB 0.09 -0.08 -0.08 -0.04 4.32 4.21 2b4gB1 THR 123 HG23 0.10 -0.03 -0.22 -0.04 1.22 1.04 2b4gB1 ILE 124 H -0.11 0.57 0.41 -0.55 8.25 8.57 2b4gB1 ILE 124 HA 0.14 0.23 0.74 -0.75 4.18 4.53 2b4gB1 ILE 124 HB -0.73 -0.14 0.01 -0.04 1.89 0.98 2b4gB1 ILE 124 HG12 -0.04 0.07 -0.06 -0.04 1.49 1.42 2b4gB1 ILE 124 HG13 -0.23 0.20 -0.02 -0.04 1.21 1.11 2b4gB1 ILE 124 HG23 0.34 0.01 -0.14 -0.04 0.93 1.10 2b4gB1 ILE 124 HD13 -0.86 -0.03 -0.14 -0.04 0.88 -0.19 2b4gB1 LEU 125 H 0.27 0.31 0.21 -0.55 8.37 8.61 2b4gB1 LEU 125 HA 0.11 0.19 0.76 -0.75 4.35 4.66 2b4gB1 LEU 125 HB2 -0.26 0.05 0.01 -0.04 1.64 1.40 2b4gB1 LEU 125 HB3 -0.01 0.07 0.18 -0.04 1.64 1.84 2b4gB1 LEU 125 HG -0.10 -0.09 -0.42 -0.04 1.64 0.99 2b4gB1 LEU 125 HD13 -0.15 0.01 -0.11 -0.04 0.93 0.64 2b4gB1 LEU 125 HD23 -0.84 0.01 -0.07 -0.04 0.89 -0.06 2b4gB1 GLU 126 H 0.17 0.66 0.27 -0.55 8.60 9.15 2b4gB1 GLU 126 HA 0.01 0.14 0.68 -0.75 4.29 4.37 2b4gB1 GLU 126 HB2 0.35 0.06 -0.15 -0.04 2.09 2.31 2b4gB1 GLU 126 HB3 0.11 -0.09 0.00 -0.04 1.99 1.97 2b4gB1 GLU 126 HG2 -0.00 -0.07 -0.42 -0.04 2.34 1.81 2b4gB1 GLU 126 HG3 0.05 0.03 -0.33 -0.04 2.34 2.04 2b4gB1 LEU 127 H -0.01 1.00 0.23 -0.55 8.37 9.05 2b4gB1 LEU 127 HA -0.07 0.11 0.90 -0.75 4.35 4.54 2b4gB1 LEU 127 HB2 -0.09 0.06 0.07 -0.04 1.64 1.64 2b4gB1 LEU 127 HB3 0.04 0.04 0.23 -0.04 1.64 1.90 2b4gB1 LEU 127 HG -0.08 -0.04 -0.30 -0.04 1.64 1.18 2b4gB1 LEU 127 HD13 -0.08 0.02 0.01 -0.04 0.93 0.84 2b4gB1 LEU 127 HD23 -0.01 0.00 -0.12 -0.04 0.89 0.72 2b4gB1 ASN 128 H -0.07 0.67 0.35 -0.55 8.53 8.93 2b4gB1 ASN 128 HA -0.09 0.03 0.70 -0.75 4.76 4.65 2b4gB1 ASN 128 HB2 -0.06 0.00 -0.00 -0.04 2.88 2.78 2b4gB1 ASN 128 HB3 -0.07 0.05 0.17 -0.04 2.79 2.90 2b4gB1 ASN 128 HD21 -0.05 -0.03 -0.09 -0.04 7.03 6.82 2b4gB1 ASN 128 HD22 -0.05 0.03 -0.08 -0.04 7.74 7.60 2b4gB1 LEU 129 H -0.13 0.56 0.30 -0.55 8.37 8.55 2b4gB1 LEU 129 HA -0.26 0.18 0.89 -0.75 4.35 4.40 2b4gB1 LEU 129 HB2 -0.15 0.15 0.11 -0.04 1.64 1.71 2b4gB1 LEU 129 HB3 -0.23 -0.12 0.17 -0.04 1.64 1.42 2b4gB1 LEU 129 HG -0.13 0.07 -0.23 -0.04 1.64 1.31 2b4gB1 LEU 129 HD13 -0.09 0.01 -0.06 -0.04 0.93 0.75 2b4gB1 LEU 129 HD23 -0.41 0.03 -0.16 -0.04 0.89 0.30 2b4gB1 SER 130 H -0.14 0.01 -0.19 -0.55 8.46 7.59 2b4gB1 SER 130 HA -0.24 0.10 0.80 -0.75 4.49 4.39 2b4gB1 SER 130 HB2 -0.19 -0.01 -0.04 -0.04 3.95 3.67 2b4gB1 SER 130 HB3 -0.23 0.09 -0.32 -0.04 3.93 3.43 2b4gB1 CYS 131 H -0.11 0.07 -0.04 -0.55 8.50 7.88 2b4gB1 CYS 131 HA -0.05 0.06 0.50 -0.75 4.58 4.34 2b4gB1 CYS 131 HB2 -0.05 0.00 0.06 -0.04 2.97 2.94 2b4gB1 CYS 131 HB3 -0.06 0.10 0.06 -0.04 2.97 3.03 2b4gB1 PRO 132 HA -0.02 0.21 0.71 -0.51 4.44 4.83 2b4gB1 PRO 132 HB2 0.03 -0.06 0.13 -0.04 2.28 2.33 2b4gB1 PRO 132 HB3 -0.00 0.10 0.09 -0.04 2.02 2.16 2b4gB1 PRO 132 HG2 0.01 -0.03 0.00 -0.04 2.03 1.98 2b4gB1 PRO 132 HG3 0.00 0.07 0.01 -0.04 2.03 2.08 2b4gB1 PRO 132 HD2 -0.01 -0.03 0.20 -0.04 3.68 3.80 2b4gB1 PRO 132 HD3 -0.04 0.27 0.31 -0.04 3.65 4.14 2b4gB1 ASN 133 H -0.01 0.02 -0.22 -0.55 8.53 7.77 2b4gB1 ASN 133 HA 0.02 0.31 0.50 -0.75 4.76 4.83 2b4gB1 ASN 133 HB2 0.01 -0.09 0.01 -0.04 2.88 2.77 2b4gB1 ASN 133 HB3 0.02 -0.02 0.04 -0.04 2.79 2.79 2b4gB1 ASN 133 HD21 0.02 0.08 0.02 -0.04 7.03 7.12 2b4gB1 ASN 133 HD22 0.02 -0.14 -0.02 -0.04 7.74 7.55 2b4gB1 VAL 134 H -0.01 0.16 -0.13 -0.55 8.24 7.71 2b4gB1 VAL 134 HA 0.00 0.21 0.79 -0.75 4.13 4.38 2b4gB1 VAL 134 HB -0.01 0.04 0.08 -0.04 2.12 2.19 2b4gB1 VAL 134 HG13 0.00 0.03 -0.14 -0.04 0.97 0.82 2b4gB1 VAL 134 HG23 -0.00 -0.03 -0.14 -0.04 0.95 0.74 2b4gB1 PRO 135 HA -0.01 0.01 0.34 -0.51 4.44 4.26 2b4gB1 PRO 135 HB2 -0.01 0.03 0.06 -0.04 2.28 2.33 2b4gB1 PRO 135 HB3 -0.01 0.02 0.10 -0.04 2.02 2.08 2b4gB1 PRO 135 HG2 0.00 0.04 0.11 -0.04 2.03 2.14 2b4gB1 PRO 135 HG3 0.00 0.02 0.11 -0.04 2.03 2.12 2b4gB1 PRO 135 HD2 0.00 0.06 0.22 -0.04 3.68 3.93 2b4gB1 PRO 135 HD3 0.01 0.40 0.28 -0.04 3.65 4.29 2b4gB1 GLY 136 H -0.02 0.11 0.11 -0.55 8.43 8.09 2b4gB1 GLY 136 HA2 -0.01 -0.02 0.34 -0.51 4.01 3.81 2b4gB1 GLY 136 HA3 -0.01 0.09 0.46 -0.51 4.01 4.04 2b4gB1 LYS 137 H -0.01 0.57 -0.41 -0.55 8.42 8.01 2b4gB1 LYS 137 HA -0.00 0.17 0.85 -0.75 4.32 4.59 2b4gB1 LYS 137 HB2 -0.01 -0.01 0.08 -0.04 1.87 1.89 2b4gB1 LYS 137 HB3 -0.01 -0.02 0.03 -0.04 1.79 1.75 2b4gB1 LYS 137 HG2 0.00 0.04 -0.22 -0.04 1.46 1.24 2b4gB1 LYS 137 HG3 0.00 -0.10 -0.02 -0.04 1.46 1.30 2b4gB1 LYS 137 HD2 0.02 0.05 0.08 -0.04 1.69 1.80 2b4gB1 LYS 137 HD3 0.01 0.08 0.05 -0.04 1.68 1.78 2b4gB1 LYS 137 HE2 0.02 -0.10 0.03 -0.04 2.99 2.89 2b4gB1 LYS 137 HE3 0.02 -0.04 0.06 -0.04 2.99 2.99 2b4gB1 PRO 138 HA -0.00 0.06 0.31 -0.51 4.44 4.30 2b4gB1 PRO 138 HB2 0.01 0.07 -0.13 -0.04 2.28 2.19 2b4gB1 PRO 138 HB3 0.02 0.01 0.02 -0.04 2.02 2.03 2b4gB1 PRO 138 HG2 0.00 0.01 -0.02 -0.04 2.03 1.99 2b4gB1 PRO 138 HG3 -0.00 0.03 -0.05 -0.04 2.03 1.96 2b4gB1 PRO 138 HD2 -0.00 0.05 0.10 -0.04 3.68 3.79 2b4gB1 PRO 138 HD3 -0.00 0.42 -0.03 -0.04 3.65 4.00 2b4gB1 GLN 139 H -0.01 0.08 0.08 -0.55 8.47 8.07 2b4gB1 GLN 139 HA -0.15 0.11 0.21 -0.75 4.36 3.78 2b4gB1 GLN 139 HB2 -0.44 -0.05 0.10 -0.04 2.15 1.72 2b4gB1 GLN 139 HB3 -0.46 -0.01 0.02 -0.04 2.02 1.52 2b4gB1 GLN 139 HG2 -0.28 0.05 -0.06 -0.04 2.40 2.08 2b4gB1 GLN 139 HG3 -0.13 0.16 -0.37 -0.04 2.39 2.02 2b4gB1 GLN 139 HE21 0.19 0.03 0.02 -0.04 6.97 7.17 2b4gB1 GLN 139 HE22 0.06 0.01 0.06 -0.04 7.69 7.78 2b4gB1 VAL 140 H -0.19 0.11 0.06 -0.55 8.24 7.67 2b4gB1 VAL 140 HA -0.11 0.06 0.37 -0.75 4.13 3.69 2b4gB1 VAL 140 HB -0.33 -0.00 0.16 -0.04 2.12 1.90 2b4gB1 VAL 140 HG13 -0.37 -0.02 -0.19 -0.04 0.97 0.35 2b4gB1 VAL 140 HG23 -0.38 0.01 0.01 -0.04 0.95 0.55 2b4gB1 GLY 141 H -0.23 0.68 0.10 -0.55 8.43 8.43 2b4gB1 GLY 141 HA2 -0.02 0.03 0.36 -0.51 4.01 3.87 2b4gB1 GLY 141 HA3 -0.13 0.07 0.32 -0.51 4.01 3.76 2b4gB1 TYR 142 H -0.17 0.33 -0.55 -0.55 8.29 7.34 2b4gB1 TYR 142 HA -0.17 0.12 0.73 -0.75 4.56 4.48 2b4gB1 TYR 142 HB2 -0.09 0.14 0.03 -0.04 3.06 3.09 2b4gB1 TYR 142 HB3 -0.10 -0.05 0.11 -0.04 2.98 2.90 2b4gB1 TYR 142 HD2 -0.02 0.02 -0.06 -0.04 7.15 7.05 2b4gB1 TYR 142 HE2 -0.21 0.07 -0.07 -0.04 6.85 6.60 2b4gB1 ASP 143 H -0.12 0.67 -0.19 -0.55 8.40 8.21 2b4gB1 ASP 143 HA -0.16 0.10 0.81 -0.75 4.63 4.62 2b4gB1 ASP 143 HB2 -0.03 0.09 -0.01 -0.04 2.71 2.72 2b4gB1 ASP 143 HB3 -0.02 0.06 0.22 -0.04 2.70 2.91 2b4gB1 PHE 144 H -0.18 0.20 0.04 -0.55 8.34 7.85 2b4gB1 PHE 144 HA 0.07 0.15 0.33 -0.75 4.62 4.42 2b4gB1 PHE 144 HB2 0.03 -0.03 0.07 -0.04 3.15 3.18 2b4gB1 PHE 144 HB3 0.05 0.08 0.00 -0.04 3.06 3.15 2b4gB1 PHE 144 HD2 0.03 -0.00 -0.03 -0.04 7.28 7.23 2b4gB1 PHE 144 HE2 -0.11 0.00 -0.00 -0.04 7.38 7.23 2b4gB1 PHE 144 HZ -0.24 -0.04 0.05 -0.04 7.32 7.05 2b4gB1 ASP 145 H 0.14 0.09 -0.05 -0.55 8.40 8.03 2b4gB1 ASP 145 HA 0.12 0.14 0.50 -0.75 4.63 4.64 2b4gB1 ASP 145 HB2 0.07 -0.06 0.07 -0.04 2.71 2.74 2b4gB1 ASP 145 HB3 0.07 0.05 -0.03 -0.04 2.70 2.75 2b4gB1 THR 146 H 0.07 0.10 -0.21 -0.55 8.28 7.69 2b4gB1 THR 146 HA 0.11 0.03 0.48 -0.75 4.39 4.25 2b4gB1 THR 146 HB 0.06 0.21 0.13 -0.04 4.32 4.68 2b4gB1 THR 146 HG23 0.22 -0.01 -0.03 -0.04 1.22 1.36 2b4gB1 THR 147 H 0.09 0.60 -0.11 -0.55 8.28 8.31 2b4gB1 THR 147 HA 0.05 -0.05 0.34 -0.75 4.39 3.97 2b4gB1 THR 147 HB 0.19 0.08 0.13 -0.04 4.32 4.67 2b4gB1 THR 147 HG23 0.09 -0.01 -0.11 -0.04 1.22 1.15 2b4gB1 ARG 148 H 0.16 0.53 -0.22 -0.55 8.46 8.38 2b4gB1 ARG 148 HA 0.16 0.07 0.36 -0.75 4.34 4.18 2b4gB1 ARG 148 HB2 0.22 0.03 0.12 -0.04 1.90 2.22 2b4gB1 ARG 148 HB3 0.16 0.09 0.20 -0.04 1.80 2.21 2b4gB1 ARG 148 HG2 0.19 -0.03 -0.25 -0.04 1.67 1.53 2b4gB1 ARG 148 HG3 0.42 0.01 0.02 -0.04 1.67 2.08 2b4gB1 ARG 148 HD2 0.13 -0.04 0.01 -0.04 3.22 3.27 2b4gB1 ARG 148 HD3 0.12 -0.03 -0.02 -0.04 3.22 3.26 2b4gB1 THR 149 H 0.11 0.39 -0.25 -0.55 8.28 7.98 2b4gB1 THR 149 HA 0.04 0.03 0.43 -0.75 4.39 4.14 2b4gB1 THR 149 HB 0.04 0.08 0.20 -0.04 4.32 4.61 2b4gB1 THR 149 HG23 -0.06 -0.03 -0.03 -0.04 1.22 1.06 2b4gB1 TYR 150 H 0.23 0.59 -0.02 -0.55 8.29 8.54 2b4gB1 TYR 150 HA -0.06 -0.12 0.44 -0.75 4.56 4.07 2b4gB1 TYR 150 HB2 -0.06 0.21 0.16 -0.04 3.06 3.33 2b4gB1 TYR 150 HB3 -0.08 -0.00 -0.07 -0.04 2.98 2.79 2b4gB1 TYR 150 HD2 -0.05 0.21 -0.02 -0.04 7.15 7.24 2b4gB1 TYR 150 HE2 -0.04 0.02 -0.15 -0.04 6.85 6.64 2b4gB1 LEU 151 H -0.09 0.53 -0.27 -0.55 8.37 7.99 2b4gB1 LEU 151 HA -0.11 -0.01 0.22 -0.75 4.35 3.70 2b4gB1 LEU 151 HB2 -0.89 0.10 0.08 -0.04 1.64 0.89 2b4gB1 LEU 151 HB3 -1.24 0.03 -0.05 -0.04 1.64 0.34 2b4gB1 LEU 151 HG -0.10 0.15 -0.02 -0.04 1.64 1.62 2b4gB1 LEU 151 HD13 -0.05 0.01 -0.12 -0.04 0.93 0.73 2b4gB1 LEU 151 HD23 0.02 -0.04 -0.11 -0.04 0.89 0.73 2b4gB1 GLN 152 H -0.23 0.57 -0.05 -0.55 8.47 8.20 2b4gB1 GLN 152 HA 0.26 0.08 0.53 -0.75 4.36 4.47 2b4gB1 GLN 152 HB2 0.29 0.09 0.16 -0.04 2.15 2.65 2b4gB1 GLN 152 HB3 0.06 0.03 0.24 -0.04 2.02 2.32 2b4gB1 GLN 152 HG2 0.11 -0.04 0.01 -0.04 2.40 2.43 2b4gB1 GLN 152 HG3 0.09 -0.04 -0.17 -0.04 2.39 2.23 2b4gB1 GLN 152 HE21 0.13 0.04 0.02 -0.04 6.97 7.11 2b4gB1 GLN 152 HE22 0.11 -0.05 -0.03 -0.04 7.69 7.68 2b4gB1 LYS 153 H -0.04 0.57 -0.03 -0.55 8.42 8.37 2b4gB1 LYS 153 HA -0.00 0.04 0.26 -0.75 4.32 3.86 2b4gB1 LYS 153 HB2 -0.11 0.02 0.12 -0.04 1.87 1.86 2b4gB1 LYS 153 HB3 -0.06 -0.06 0.04 -0.04 1.79 1.66 2b4gB1 LYS 153 HG2 -0.01 -0.01 0.01 -0.04 1.46 1.41 2b4gB1 LYS 153 HG3 -0.05 0.26 0.13 -0.04 1.46 1.76 2b4gB1 LYS 153 HD2 -0.09 -0.11 -0.03 -0.04 1.69 1.42 2b4gB1 LYS 153 HD3 -0.05 -0.01 -0.01 -0.04 1.68 1.57 2b4gB1 LYS 153 HE2 -0.03 -0.02 0.01 -0.04 2.99 2.91 2b4gB1 LYS 153 HE3 -0.03 -0.02 -0.01 -0.04 2.99 2.89 2b4gB1 VAL 154 H -0.08 0.65 -0.06 -0.55 8.24 8.20 2b4gB1 VAL 154 HA -0.11 -0.03 0.50 -0.75 4.13 3.73 2b4gB1 VAL 154 HB -0.18 0.16 0.07 -0.04 2.12 2.14 2b4gB1 VAL 154 HG13 -0.80 -0.00 -0.18 -0.04 0.97 -0.05 2b4gB1 VAL 154 HG23 -0.12 -0.04 -0.04 -0.04 0.95 0.71 2b4gB1 SER 155 H 0.01 0.52 -0.25 -0.55 8.46 8.20 2b4gB1 SER 155 HA 0.26 0.00 0.46 -0.75 4.49 4.46 2b4gB1 SER 155 HB2 0.18 0.15 0.28 -0.04 3.95 4.52 2b4gB1 SER 155 HB3 0.23 -0.06 0.01 -0.04 3.93 4.07 2b4gB1 GLU 156 H 0.06 0.60 -0.09 -0.55 8.60 8.63 2b4gB1 GLU 156 HA 0.06 0.04 0.44 -0.75 4.29 4.07 2b4gB1 GLU 156 HB2 0.03 0.04 0.16 -0.04 2.09 2.27 2b4gB1 GLU 156 HB3 0.03 -0.05 -0.03 -0.04 1.99 1.90 2b4gB1 GLU 156 HG2 0.05 -0.02 0.02 -0.04 2.34 2.35 2b4gB1 GLU 156 HG3 0.08 0.06 0.04 -0.04 2.34 2.48 2b4gB1 ALA 157 H 0.01 0.56 -0.02 -0.55 8.40 8.41 2b4gB1 ALA 157 HA 0.02 0.02 0.34 -0.75 4.34 3.96 2b4gB1 ALA 157 HB3 -0.00 -0.04 0.09 -0.04 1.41 1.41 2b4gB1 TYR 158 H 0.09 0.46 -0.19 -0.55 8.29 8.09 2b4gB1 TYR 158 HA -0.04 0.11 0.56 -0.75 4.56 4.44 2b4gB1 TYR 158 HB2 -0.16 -0.16 0.01 -0.04 3.06 2.71 2b4gB1 TYR 158 HB3 -0.17 0.14 0.12 -0.04 2.98 3.03 2b4gB1 TYR 158 HD2 -0.01 0.18 -0.02 -0.04 7.15 7.25 2b4gB1 TYR 158 HE2 0.09 0.07 -0.24 -0.04 6.85 6.74 2b4gB1 GLY 159 H 0.09 0.37 0.06 -0.55 8.43 8.40 2b4gB1 GLY 159 HA2 0.05 0.09 0.36 -0.51 4.01 3.99 2b4gB1 GLY 159 HA3 -0.03 0.01 0.24 -0.51 4.01 3.71 2b4gB1 LEU 160 H -0.23 0.04 -0.45 -0.55 8.37 7.18 2b4gB1 LEU 160 HA -0.05 0.19 0.88 -0.75 4.35 4.62 2b4gB1 LEU 160 HB2 -0.97 -0.08 -0.05 -0.04 1.64 0.50 2b4gB1 LEU 160 HB3 -0.13 0.05 0.08 -0.04 1.64 1.60 2b4gB1 LEU 160 HG -0.34 0.10 -0.32 -0.04 1.64 1.04 2b4gB1 LEU 160 HD13 -0.37 -0.03 -0.01 -0.04 0.93 0.49 2b4gB1 LEU 160 HD23 -0.09 0.00 0.02 -0.04 0.89 0.78 2b4gB1 PRO 161 HA 0.13 0.24 0.67 -0.51 4.44 4.97 2b4gB1 PRO 161 HB2 0.17 -0.03 0.02 -0.04 2.28 2.40 2b4gB1 PRO 161 HB3 0.10 0.04 0.14 -0.04 2.02 2.26 2b4gB1 PRO 161 HG2 0.13 0.03 0.12 -0.04 2.03 2.27 2b4gB1 PRO 161 HG3 0.08 0.03 0.08 -0.04 2.03 2.18 2b4gB1 PRO 161 HD2 0.02 0.10 0.25 -0.04 3.68 4.01 2b4gB1 PRO 161 HD3 0.05 0.13 0.15 -0.04 3.65 3.94 2b4gB1 PHE 162 H -0.11 0.70 0.51 -0.55 8.34 8.88 2b4gB1 PHE 162 HA 0.17 0.13 0.81 -0.75 4.62 4.97 2b4gB1 PHE 162 HB2 -0.08 -0.07 0.16 -0.04 3.15 3.12 2b4gB1 PHE 162 HB3 0.21 0.09 -0.19 -0.04 3.06 3.13 2b4gB1 PHE 162 HD2 0.01 0.26 -0.05 -0.04 7.28 7.47 2b4gB1 PHE 162 HE2 -0.04 -0.06 -0.15 -0.04 7.38 7.09 2b4gB1 PHE 162 HZ -0.11 -0.01 -0.10 -0.04 7.32 7.07 2b4gB1 GLY 163 H -0.15 0.63 0.41 -0.55 8.43 8.77 2b4gB1 GLY 163 HA2 -1.11 0.31 1.09 -0.51 4.01 3.78 2b4gB1 GLY 163 HA3 -2.92 -0.05 0.34 -0.51 4.01 0.87 2b4gB1 VAL 164 H -0.55 0.50 0.29 -0.55 8.24 7.93 2b4gB1 VAL 164 HA -0.14 0.21 1.02 -0.75 4.13 4.47 2b4gB1 VAL 164 HB -0.12 -0.02 -0.01 -0.04 2.12 1.94 2b4gB1 VAL 164 HG13 -0.07 0.01 -0.18 -0.04 0.97 0.69 2b4gB1 VAL 164 HG23 -0.21 0.03 0.07 -0.04 0.95 0.80 2b4gB1 LYS 165 H -0.10 0.64 0.17 -0.55 8.42 8.57 2b4gB1 LYS 165 HA -0.08 0.19 0.87 -0.75 4.32 4.55 2b4gB1 LYS 165 HB2 -0.04 -0.00 -0.09 -0.04 1.87 1.70 2b4gB1 LYS 165 HB3 -0.07 -0.20 0.14 -0.04 1.79 1.61 2b4gB1 LYS 165 HG2 -0.04 -0.10 -0.13 -0.04 1.46 1.14 2b4gB1 LYS 165 HG3 -0.06 0.08 -0.27 -0.04 1.46 1.17 2b4gB1 LYS 165 HD2 -0.02 0.19 -0.18 -0.04 1.69 1.64 2b4gB1 LYS 165 HD3 -0.00 -0.04 -0.16 -0.04 1.68 1.44 2b4gB1 LYS 165 HE2 -0.01 0.01 -0.46 -0.04 2.99 2.48 2b4gB1 LYS 165 HE3 0.00 0.04 -0.34 -0.04 2.99 2.65 2b4gB1 MET 166 H -0.11 0.72 0.26 -0.55 8.47 8.79 2b4gB1 MET 166 HA -0.13 0.09 0.59 -0.75 4.52 4.32 2b4gB1 MET 166 HB2 -0.14 0.01 0.02 -0.04 2.15 2.00 2b4gB1 MET 166 HB3 -0.06 0.12 -0.00 -0.04 2.03 2.04 2b4gB1 MET 166 HG2 -0.21 0.04 -0.09 -0.04 2.63 2.32 2b4gB1 MET 166 HG3 -0.41 0.04 -0.08 -0.04 2.56 2.06 2b4gB1 MET 166 HE3 0.13 0.01 -0.02 -0.04 2.10 2.18 2b4gB1 PRO 167 HA -0.21 0.08 0.61 -0.51 4.44 4.41 2b4gB1 PRO 167 HB2 -0.80 0.14 -0.03 -0.04 2.28 1.55 2b4gB1 PRO 167 HB3 -0.56 -0.04 0.10 -0.04 2.02 1.48 2b4gB1 PRO 167 HG2 -0.87 0.10 -0.17 -0.04 2.03 1.04 2b4gB1 PRO 167 HG3 -0.66 -0.12 -0.09 -0.04 2.03 1.12 2b4gB1 PRO 167 HD2 -0.16 0.13 0.16 -0.04 3.68 3.77 2b4gB1 PRO 167 HD3 -0.23 0.15 0.14 -0.04 3.65 3.66 2b4gB1 PRO 168 HA -0.09 0.07 0.56 -0.51 4.44 4.46 2b4gB1 PRO 168 HB2 -0.46 0.04 -0.07 -0.04 2.28 1.74 2b4gB1 PRO 168 HB3 -0.04 0.03 0.03 -0.04 2.02 2.00 2b4gB1 PRO 168 HG2 0.24 -0.05 0.09 -0.04 2.03 2.27 2b4gB1 PRO 168 HG3 0.14 0.03 -0.08 -0.04 2.03 2.08 2b4gB1 PRO 168 HD2 -0.04 0.05 0.18 -0.04 3.68 3.83 2b4gB1 PRO 168 HD3 -0.03 0.26 0.05 -0.04 3.65 3.89 2b4gB1 TYR 169 H 0.10 0.17 0.18 -0.55 8.29 8.19 2b4gB1 TYR 169 HA -0.12 0.19 0.83 -0.75 4.56 4.71 2b4gB1 TYR 169 HB2 -0.15 0.03 -0.02 -0.04 3.06 2.89 2b4gB1 TYR 169 HB3 -0.13 -0.20 0.05 -0.04 2.98 2.66 2b4gB1 TYR 169 HD2 0.44 -0.06 -0.02 -0.04 7.15 7.47 2b4gB1 TYR 169 HE2 0.25 0.04 -0.04 -0.04 6.85 7.06 2b4gB1 PHE 170 H 0.07 0.09 0.12 -0.55 8.34 8.07 2b4gB1 PHE 170 HA -0.03 0.22 0.74 -0.75 4.62 4.80 2b4gB1 PHE 170 HB2 -0.02 -0.00 0.00 -0.04 3.15 3.09 2b4gB1 PHE 170 HB3 -0.01 0.03 0.12 -0.04 3.06 3.16 2b4gB1 PHE 170 HD2 0.03 -0.00 -0.07 -0.04 7.28 7.20 2b4gB1 PHE 170 HE2 0.08 0.02 -0.07 -0.04 7.38 7.37 2b4gB1 PHE 170 HZ 0.08 -0.04 -0.06 -0.04 7.32 7.25 2b4gB1 ASP 171 H -0.41 0.20 0.01 -0.55 8.40 7.65 2b4gB1 ASP 171 HA -0.17 0.21 0.80 -0.75 4.63 4.73 2b4gB1 ASP 171 HB2 -0.28 0.17 -0.13 -0.04 2.71 2.43 2b4gB1 ASP 171 HB3 -0.63 -0.08 0.12 -0.04 2.70 2.07 2b4gB1 ILE 172 H -0.11 0.27 0.15 -0.55 8.25 8.01 2b4gB1 ILE 172 HA 0.04 0.13 0.39 -0.75 4.18 3.99 2b4gB1 ILE 172 HB -0.02 -0.02 0.13 -0.04 1.89 1.94 2b4gB1 ILE 172 HG12 0.02 -0.04 0.09 -0.04 1.49 1.52 2b4gB1 ILE 172 HG13 0.04 0.08 0.04 -0.04 1.21 1.33 2b4gB1 ILE 172 HG23 0.05 0.03 -0.07 -0.04 0.93 0.90 2b4gB1 ILE 172 HD13 0.22 0.02 -0.03 -0.04 0.88 1.05 2b4gB1 ALA 173 H -0.11 0.12 -0.09 -0.55 8.40 7.77 2b4gB1 ALA 173 HA -0.02 0.15 0.44 -0.75 4.34 4.15 2b4gB1 ALA 173 HB3 -0.04 0.03 0.07 -0.04 1.41 1.43 2b4gB1 HIS 174 H -0.18 0.10 -0.39 -0.55 8.41 7.40 2b4gB1 HIS 174 HA -0.01 0.00 0.48 -0.75 4.63 4.35 2b4gB1 HIS 174 HB2 -0.10 0.00 0.14 -0.04 3.26 3.26 2b4gB1 HIS 174 HB3 0.03 0.00 0.05 -0.04 3.20 3.25 2b4gB1 HIS 174 HD2 0.09 -0.03 -0.20 -0.04 6.97 6.79 2b4gB1 HIS 174 HE1 0.02 0.05 0.01 -0.04 7.75 7.78 2b4gB1 PHE 175 H -0.22 0.40 -0.03 -0.55 8.34 7.94 2b4gB1 PHE 175 HA -0.33 0.06 0.54 -0.75 4.62 4.15 2b4gB1 PHE 175 HB2 -0.16 0.11 0.14 -0.04 3.15 3.21 2b4gB1 PHE 175 HB3 -0.36 0.09 -0.05 -0.04 3.06 2.70 2b4gB1 PHE 175 HD2 -0.14 0.00 -0.02 -0.04 7.28 7.08 2b4gB1 PHE 175 HE2 0.09 -0.02 -0.09 -0.04 7.38 7.32 2b4gB1 PHE 175 HZ 0.01 0.07 -0.17 -0.04 7.32 7.19 2b4gB1 ASP 176 H 0.00 0.40 -0.22 -0.55 8.40 8.03 2b4gB1 ASP 176 HA -0.06 0.12 0.39 -0.75 4.63 4.33 2b4gB1 ASP 176 HB2 -0.04 0.08 0.21 -0.04 2.71 2.93 2b4gB1 ASP 176 HB3 -0.05 -0.01 0.01 -0.04 2.70 2.61 2b4gB1 MET 177 H -0.14 0.49 0.04 -0.55 8.47 8.31 2b4gB1 MET 177 HA -0.28 0.05 0.42 -0.75 4.52 3.96 2b4gB1 MET 177 HB2 -0.63 -0.03 0.15 -0.04 2.15 1.60 2b4gB1 MET 177 HB3 -1.06 -0.04 0.02 -0.04 2.03 0.91 2b4gB1 MET 177 HG2 -0.13 -0.00 0.03 -0.04 2.63 2.49 2b4gB1 MET 177 HG3 -0.07 0.19 0.09 -0.04 2.56 2.73 2b4gB1 MET 177 HE3 0.12 -0.01 -0.05 -0.04 2.10 2.12 2b4gB1 ALA 178 H -0.34 0.50 -0.14 -0.55 8.40 7.88 2b4gB1 ALA 178 HA -0.09 -0.01 0.50 -0.75 4.34 3.99 2b4gB1 ALA 178 HB3 0.13 0.02 0.09 -0.04 1.41 1.60 2b4gB1 ALA 179 H 0.05 0.56 -0.15 -0.55 8.40 8.31 2b4gB1 ALA 179 HA 0.23 0.01 0.39 -0.75 4.34 4.22 2b4gB1 ALA 179 HB3 0.01 0.05 0.06 -0.04 1.41 1.50 2b4gB1 ALA 180 H -0.06 0.46 -0.19 -0.55 8.40 8.07 2b4gB1 ALA 180 HA -0.03 0.06 0.36 -0.75 4.34 3.98 2b4gB1 ALA 180 HB3 -0.08 0.02 0.10 -0.04 1.41 1.41 2b4gB1 VAL 181 H -0.05 0.39 -0.21 -0.55 8.24 7.83 2b4gB1 VAL 181 HA 0.08 0.00 0.37 -0.75 4.13 3.83 2b4gB1 VAL 181 HB 0.12 0.14 0.17 -0.04 2.12 2.51 2b4gB1 VAL 181 HG13 0.26 -0.03 -0.15 -0.04 0.97 1.01 2b4gB1 VAL 181 HG23 0.05 0.02 0.06 -0.04 0.95 1.04 2b4gB1 LEU 182 H 0.10 0.52 -0.11 -0.55 8.37 8.33 2b4gB1 LEU 182 HA 0.17 -0.05 0.27 -0.75 4.35 3.98 2b4gB1 LEU 182 HB2 0.10 0.09 0.14 -0.04 1.64 1.93 2b4gB1 LEU 182 HB3 0.03 0.03 -0.05 -0.04 1.64 1.61 2b4gB1 LEU 182 HG 0.09 0.12 0.03 -0.04 1.64 1.84 2b4gB1 LEU 182 HD13 -0.10 -0.02 -0.11 -0.04 0.93 0.66 2b4gB1 LEU 182 HD23 -0.01 -0.03 -0.04 -0.04 0.89 0.77 2b4gB1 ASN 183 H 0.05 0.78 -0.12 -0.55 8.53 8.69 2b4gB1 ASN 183 HA 0.01 0.06 0.41 -0.75 4.76 4.48 2b4gB1 ASN 183 HB2 -0.01 0.06 0.09 -0.04 2.88 2.99 2b4gB1 ASN 183 HB3 -0.02 -0.08 0.07 -0.04 2.79 2.71 2b4gB1 ASN 183 HD21 0.00 0.40 0.05 -0.04 7.03 7.44 2b4gB1 ASN 183 HD22 -0.01 -0.13 -0.12 -0.04 7.74 7.43 2b4gB1 ASP 184 H -0.02 0.42 -0.52 -0.55 8.40 7.74 2b4gB1 ASP 184 HA -0.19 0.04 0.67 -0.75 4.63 4.40 2b4gB1 ASP 184 HB2 -0.20 0.27 0.19 -0.04 2.71 2.93 2b4gB1 ASP 184 HB3 -0.81 -0.12 0.10 -0.04 2.70 1.82 2b4gB1 PHE 185 H 0.06 0.51 -0.48 -0.55 8.34 7.87 2b4gB1 PHE 185 HA 0.01 0.15 0.95 -0.75 4.62 4.98 2b4gB1 PHE 185 HB2 -0.02 0.12 0.14 -0.04 3.15 3.35 2b4gB1 PHE 185 HB3 0.02 -0.13 0.03 -0.04 3.06 2.93 2b4gB1 PHE 185 HD2 0.05 0.10 -0.08 -0.04 7.28 7.31 2b4gB1 PHE 185 HE2 0.05 -0.08 -0.03 -0.04 7.38 7.29 2b4gB1 PHE 185 HZ 0.05 -0.05 0.02 -0.04 7.32 7.31 2b4gB1 PRO 186 HA 0.01 0.20 0.31 -0.51 4.44 4.44 2b4gB1 PRO 186 HB2 0.02 0.02 -0.04 -0.04 2.28 2.24 2b4gB1 PRO 186 HB3 0.00 0.04 0.07 -0.04 2.02 2.08 2b4gB1 PRO 186 HG2 0.05 -0.01 0.03 -0.04 2.03 2.06 2b4gB1 PRO 186 HG3 0.01 0.02 0.03 -0.04 2.03 2.05 2b4gB1 PRO 186 HD2 0.07 0.07 0.19 -0.04 3.68 3.97 2b4gB1 PRO 186 HD3 -0.04 0.20 -0.04 -0.04 3.65 3.74 2b4gB1 LEU 187 H 0.10 0.05 -0.26 -0.55 8.37 7.71 2b4gB1 LEU 187 HA 0.03 0.12 0.51 -0.75 4.35 4.26 2b4gB1 LEU 187 HB2 0.23 -0.05 -0.03 -0.04 1.64 1.75 2b4gB1 LEU 187 HB3 0.25 0.09 -0.05 -0.04 1.64 1.88 2b4gB1 LEU 187 HG 0.12 -0.05 -0.08 -0.04 1.64 1.58 2b4gB1 LEU 187 HD13 0.19 -0.01 -0.08 -0.04 0.93 0.98 2b4gB1 LEU 187 HD23 0.08 0.00 -0.28 -0.04 0.89 0.65 2b4gB1 VAL 188 H -0.13 0.38 -0.29 -0.55 8.24 7.64 2b4gB1 VAL 188 HA -0.83 0.11 0.80 -0.75 4.13 3.46 2b4gB1 VAL 188 HB -0.15 0.27 0.21 -0.04 2.12 2.41 2b4gB1 VAL 188 HG13 -0.31 -0.05 -0.09 -0.04 0.97 0.48 2b4gB1 VAL 188 HG23 -0.46 -0.06 -0.04 -0.04 0.95 0.36 2b4gB1 LYS 189 H -0.25 0.51 0.37 -0.55 8.42 8.50 2b4gB1 LYS 189 HA -0.02 0.29 0.77 -0.75 4.32 4.61 2b4gB1 LYS 189 HB2 0.15 -0.04 0.03 -0.04 1.87 1.96 2b4gB1 LYS 189 HB3 0.10 -0.09 0.09 -0.04 1.79 1.86 2b4gB1 LYS 189 HG2 -0.01 0.11 -0.06 -0.04 1.46 1.46 2b4gB1 LYS 189 HG3 0.07 -0.08 0.04 -0.04 1.46 1.46 2b4gB1 LYS 189 HD2 0.03 -0.04 0.07 -0.04 1.69 1.71 2b4gB1 LYS 189 HD3 -0.01 0.27 -0.16 -0.04 1.68 1.73 2b4gB1 LYS 189 HE2 0.04 -0.10 0.02 -0.04 2.99 2.92 2b4gB1 LYS 189 HE3 0.03 -0.05 0.03 -0.04 2.99 2.95 2b4gB1 PHE 190 H -0.30 0.24 0.21 -0.55 8.34 7.93 2b4gB1 PHE 190 HA -0.19 0.42 0.59 -0.75 4.62 4.69 2b4gB1 PHE 190 HB2 -0.81 -0.07 -0.12 -0.04 3.15 2.12 2b4gB1 PHE 190 HB3 -0.31 0.07 -0.15 -0.04 3.06 2.63 2b4gB1 PHE 190 HD2 -0.55 0.01 -0.35 -0.04 7.28 6.36 2b4gB1 PHE 190 HE2 -0.01 0.01 -0.23 -0.04 7.38 7.11 2b4gB1 PHE 190 HZ 0.30 0.01 -0.33 -0.04 7.32 7.26 2b4gB1 ILE 191 H -0.06 0.52 0.21 -0.55 8.25 8.37 2b4gB1 ILE 191 HA -0.24 0.09 0.94 -0.75 4.18 4.22 2b4gB1 ILE 191 HB -0.08 0.02 0.13 -0.04 1.89 1.92 2b4gB1 ILE 191 HG12 -0.17 -0.02 -0.14 -0.04 1.49 1.12 2b4gB1 ILE 191 HG13 -0.11 -0.01 -0.45 -0.04 1.21 0.60 2b4gB1 ILE 191 HG23 -0.39 -0.02 -0.13 -0.04 0.93 0.35 2b4gB1 ILE 191 HD13 -0.01 0.02 -0.14 -0.04 0.88 0.70 2b4gB1 THR 192 H -0.13 0.81 0.31 -0.55 8.28 8.72 2b4gB1 THR 192 HA 0.08 0.22 0.95 -0.75 4.39 4.90 2b4gB1 THR 192 HB 0.01 -0.08 0.03 -0.04 4.32 4.23 2b4gB1 THR 192 HG23 0.08 -0.02 -0.33 -0.04 1.22 0.91 2b4gB1 CYS 193 H 0.07 0.83 0.27 -0.55 8.50 9.12 2b4gB1 CYS 193 HA 0.02 0.09 0.83 -0.75 4.58 4.76 2b4gB1 CYS 193 HB2 0.12 0.05 0.11 -0.04 2.97 3.22 2b4gB1 CYS 193 HB3 0.14 -0.04 -0.07 -0.04 2.97 2.96 2b4gB1 VAL 194 H 0.08 0.69 0.36 -0.55 8.24 8.82 2b4gB1 VAL 194 HA 0.01 0.17 0.39 -0.75 4.13 3.95 2b4gB1 VAL 194 HB 0.00 0.06 0.03 -0.04 2.12 2.17 2b4gB1 VAL 194 HG13 0.08 0.01 -0.09 -0.04 0.97 0.93 2b4gB1 VAL 194 HG23 0.08 0.03 -0.06 -0.04 0.95 0.96 2b4gB1 ASN 195 H -0.04 0.55 0.17 -0.55 8.53 8.66 2b4gB1 ASN 195 HA -0.00 -0.02 0.54 -0.75 4.76 4.52 2b4gB1 ASN 195 HB2 -0.07 0.06 -0.11 -0.04 2.88 2.71 2b4gB1 ASN 195 HB3 -0.07 0.14 -0.02 -0.04 2.79 2.80 2b4gB1 ASN 195 HD21 -0.05 -0.08 -0.24 -0.04 7.03 6.61 2b4gB1 ASN 195 HD22 -0.07 -0.01 -0.24 -0.04 7.74 7.38 2b4gB1 SER 196 H 0.01 0.00 0.04 -0.55 8.46 7.97 2b4gB1 SER 196 HA 0.06 0.11 0.36 -0.75 4.49 4.26 2b4gB1 SER 196 HB2 0.03 -0.00 -0.21 -0.04 3.95 3.73 2b4gB1 SER 196 HB3 0.03 -0.08 -0.13 -0.04 3.93 3.72 2b4gB1 ILE 197 H 0.08 0.43 0.28 -0.55 8.25 8.50 2b4gB1 ILE 197 HA 0.19 0.11 0.69 -0.75 4.18 4.42 2b4gB1 ILE 197 HB 0.06 -0.10 0.21 -0.04 1.89 2.02 2b4gB1 ILE 197 HG12 0.30 0.06 0.04 -0.04 1.49 1.85 2b4gB1 ILE 197 HG13 0.15 -0.02 0.09 -0.04 1.21 1.40 2b4gB1 ILE 197 HG23 0.10 0.04 -0.06 -0.04 0.93 0.97 2b4gB1 ILE 197 HD13 0.18 -0.02 -0.06 -0.04 0.88 0.95 2b4gB1 GLY 198 H 0.15 0.17 0.18 -0.55 8.43 8.39 2b4gB1 GLY 198 HA2 0.05 -0.10 0.18 -0.51 4.01 3.64 2b4gB1 GLY 198 HA3 0.10 0.06 0.30 -0.51 4.01 3.95 2b4gB1 ASN 199 H 0.06 0.05 -0.14 -0.55 8.53 7.95 2b4gB1 ASN 199 HA 0.15 0.03 0.18 -0.75 4.76 4.37 2b4gB1 ASN 199 HB2 0.11 0.05 -0.41 -0.04 2.88 2.58 2b4gB1 ASN 199 HB3 0.25 0.03 0.07 -0.04 2.79 3.10 2b4gB1 ASN 199 HD21 0.05 0.07 -0.01 -0.04 7.03 7.09 2b4gB1 ASN 199 HD22 0.08 -0.04 -0.14 -0.04 7.74 7.60 2b4gB1 GLY 200 H -0.02 0.29 0.01 -0.55 8.43 8.16 2b4gB1 GLY 200 HA2 -0.12 0.11 0.70 -0.51 4.01 4.18 2b4gB1 GLY 200 HA3 -0.14 -0.04 0.31 -0.51 4.01 3.64 2b4gB1 LEU 201 H -0.23 0.20 0.10 -0.55 8.37 7.89 2b4gB1 LEU 201 HA -0.35 0.28 0.82 -0.75 4.35 4.35 2b4gB1 LEU 201 HB2 -0.93 0.07 -0.24 -0.04 1.64 0.50 2b4gB1 LEU 201 HB3 -0.36 -0.05 0.04 -0.04 1.64 1.23 2b4gB1 LEU 201 HG -0.27 -0.07 -0.35 -0.04 1.64 0.92 2b4gB1 LEU 201 HD13 -0.49 0.05 -0.07 -0.04 0.93 0.37 2b4gB1 LEU 201 HD23 -0.31 -0.01 -0.09 -0.04 0.89 0.44 2b4gB1 VAL 202 H -0.20 0.31 0.14 -0.55 8.24 7.95 2b4gB1 VAL 202 HA -0.13 0.16 0.85 -0.75 4.13 4.25 2b4gB1 VAL 202 HB -0.16 -0.03 0.04 -0.04 2.12 1.92 2b4gB1 VAL 202 HG13 -0.13 0.00 -0.18 -0.04 0.97 0.63 2b4gB1 VAL 202 HG23 -0.11 -0.00 -0.20 -0.04 0.95 0.60 2b4gB1 ILE 203 H -0.11 0.23 0.10 -0.55 8.25 7.92 2b4gB1 ILE 203 HA -0.13 0.17 0.83 -0.75 4.18 4.29 2b4gB1 ILE 203 HB -0.08 -0.03 -0.10 -0.04 1.89 1.64 2b4gB1 ILE 203 HG12 -0.11 0.06 -0.28 -0.04 1.49 1.12 2b4gB1 ILE 203 HG13 -0.13 -0.14 -0.55 -0.04 1.21 0.35 2b4gB1 ILE 203 HG23 -0.06 0.01 -0.51 -0.04 0.93 0.33 2b4gB1 ILE 203 HD13 -0.08 0.02 -0.14 -0.04 0.88 0.63 2b4gB1 ASP 204 H -0.12 0.83 0.13 -0.55 8.40 8.68 2b4gB1 ASP 204 HA -0.08 0.14 0.71 -0.75 4.63 4.64 2b4gB1 ASP 204 HB2 -0.15 0.08 0.05 -0.04 2.71 2.65 2b4gB1 ASP 204 HB3 -0.08 -0.01 0.18 -0.04 2.70 2.75 2b4gB1 PRO 205 HA -0.03 0.12 0.45 -0.51 4.44 4.48 2b4gB1 PRO 205 HB2 -0.01 0.05 -0.02 -0.04 2.28 2.25 2b4gB1 PRO 205 HB3 -0.02 0.05 0.09 -0.04 2.02 2.10 2b4gB1 PRO 205 HG2 -0.01 0.00 0.09 -0.04 2.03 2.07 2b4gB1 PRO 205 HG3 -0.01 0.06 0.09 -0.04 2.03 2.13 2b4gB1 PRO 205 HD2 -0.02 0.04 0.30 -0.04 3.68 3.95 2b4gB1 PRO 205 HD3 -0.03 0.35 0.23 -0.04 3.65 4.16 2b4gB1 ALA 206 H -0.02 0.05 -0.27 -0.55 8.40 7.62 2b4gB1 ALA 206 HA -0.01 0.14 0.34 -0.75 4.34 4.07 2b4gB1 ALA 206 HB3 -0.00 0.00 0.04 -0.04 1.41 1.41 2b4gB1 ASN 207 H -0.02 0.02 -0.06 -0.55 8.53 7.93 2b4gB1 ASN 207 HA -0.01 0.25 0.85 -0.75 4.76 5.10 2b4gB1 ASN 207 HB2 -0.01 0.04 0.14 -0.04 2.88 3.01 2b4gB1 ASN 207 HB3 -0.01 -0.02 0.03 -0.04 2.79 2.76 2b4gB1 ASN 207 HD21 -0.03 0.06 -0.03 -0.04 7.03 6.99 2b4gB1 ASN 207 HD22 -0.01 0.01 -0.00 -0.04 7.74 7.70 2b4gB1 GLU 208 H -0.03 0.05 -0.49 -0.55 8.60 7.59 2b4gB1 GLU 208 HA -0.03 0.04 0.23 -0.75 4.29 3.78 2b4gB1 GLU 208 HB2 -0.02 0.12 -0.21 -0.04 2.09 1.95 2b4gB1 GLU 208 HB3 -0.02 -0.05 0.14 -0.04 1.99 2.02 2b4gB1 GLU 208 HG2 -0.02 -0.01 -0.01 -0.04 2.34 2.26 2b4gB1 GLU 208 HG3 -0.01 0.07 -0.27 -0.04 2.34 2.08 2b4gB1 THR 209 H -0.05 0.07 -0.26 -0.55 8.28 7.50 2b4gB1 THR 209 HA -0.04 0.14 0.79 -0.75 4.39 4.53 2b4gB1 THR 209 HB -0.05 -0.07 -0.04 -0.04 4.32 4.12 2b4gB1 THR 209 HG23 -0.03 0.05 -0.00 -0.04 1.22 1.19 2b4gB1 VAL 210 H -0.05 0.14 0.12 -0.55 8.24 7.90 2b4gB1 VAL 210 HA -0.13 0.13 0.69 -0.75 4.13 4.08 2b4gB1 VAL 210 HB -0.09 -0.03 0.18 -0.04 2.12 2.14 2b4gB1 VAL 210 HG13 -0.06 0.06 0.03 -0.04 0.97 0.96 2b4gB1 VAL 210 HG23 -0.03 0.00 -0.17 -0.04 0.95 0.71 2b4gB1 VAL 211 H -0.21 0.32 0.20 -0.55 8.24 8.00 2b4gB1 VAL 211 HA -0.24 0.18 0.65 -0.75 4.13 3.97 2b4gB1 VAL 211 HB -1.10 -0.02 0.04 -0.04 2.12 0.99 2b4gB1 VAL 211 HG13 -0.68 -0.00 -0.18 -0.04 0.97 0.08 2b4gB1 VAL 211 HG23 -0.41 0.01 -0.15 -0.04 0.95 0.35 2b4gB1 ILE 212 H -0.09 0.11 -0.07 -0.55 8.25 7.64 2b4gB1 ILE 212 HA 0.01 0.27 0.82 -0.75 4.18 4.53 2b4gB1 ILE 212 HB 0.03 0.12 0.01 -0.04 1.89 2.00 2b4gB1 ILE 212 HG12 -0.05 -0.06 -0.20 -0.04 1.49 1.15 2b4gB1 ILE 212 HG13 -0.01 0.00 -0.24 -0.04 1.21 0.93 2b4gB1 ILE 212 HG23 0.03 -0.04 -0.56 -0.04 0.93 0.31 2b4gB1 ILE 212 HD13 0.01 -0.01 -0.49 -0.04 0.88 0.35 2b4gB1 LYS 213 H 0.02 0.64 0.16 -0.55 8.42 8.68 2b4gB1 LYS 213 HA 0.01 0.02 0.36 -0.75 4.32 3.96 2b4gB1 LYS 213 HB2 0.02 0.02 -0.12 -0.04 1.87 1.74 2b4gB1 LYS 213 HB3 0.03 0.17 -0.21 -0.04 1.79 1.74 2b4gB1 LYS 213 HG2 0.02 -0.08 -0.21 -0.04 1.46 1.15 2b4gB1 LYS 213 HG3 0.01 -0.06 -0.02 -0.04 1.46 1.36 2b4gB1 LYS 213 HD2 0.02 0.01 -0.03 -0.04 1.69 1.65 2b4gB1 LYS 213 HD3 0.02 0.09 -0.13 -0.04 1.68 1.62 2b4gB1 LYS 213 HE2 0.01 -0.04 -0.04 -0.04 2.99 2.88 2b4gB1 LYS 213 HE3 0.01 -0.04 -0.02 -0.04 2.99 2.90 2b4gB1 PRO 214 HA 0.02 -0.01 0.41 -0.51 4.44 4.36 2b4gB1 PRO 214 HB2 0.04 0.03 0.01 -0.04 2.28 2.31 2b4gB1 PRO 214 HB3 0.03 0.00 0.16 -0.04 2.02 2.16 2b4gB1 PRO 214 HG2 0.04 0.08 0.12 -0.04 2.03 2.23 2b4gB1 PRO 214 HG3 0.03 0.13 0.08 -0.04 2.03 2.23 2b4gB1 PRO 214 HD2 0.03 -0.04 -0.02 -0.04 3.68 3.61 2b4gB1 PRO 214 HD3 0.03 0.27 0.17 -0.04 3.65 4.08 2b4gB1 LYS 215 H 0.02 0.12 0.21 -0.55 8.42 8.22 2b4gB1 LYS 215 HA 0.00 0.01 0.36 -0.75 4.32 3.94 2b4gB1 LYS 215 HB2 0.07 0.21 -0.37 -0.04 1.87 1.74 2b4gB1 LYS 215 HB3 0.03 -0.00 0.18 -0.04 1.79 1.96 2b4gB1 LYS 215 HG2 -0.02 -0.04 0.05 -0.04 1.46 1.41 2b4gB1 LYS 215 HG3 0.01 -0.04 0.03 -0.04 1.46 1.42 2b4gB1 LYS 215 HD2 0.01 -0.06 -0.20 -0.04 1.69 1.39 2b4gB1 LYS 215 HD3 0.03 0.08 -0.05 -0.04 1.68 1.71 2b4gB1 LYS 215 HE2 0.02 0.02 -0.01 -0.04 2.99 2.99 2b4gB1 LYS 215 HE3 -0.03 -0.08 -0.06 -0.04 2.99 2.78 2b4gB1 GLN 216 H 0.05 0.17 -0.16 -0.55 8.47 7.97 2b4gB1 GLN 216 HA 0.06 0.06 0.27 -0.75 4.36 4.00 2b4gB1 GLN 216 HB2 0.11 0.12 -0.05 -0.04 2.15 2.30 2b4gB1 GLN 216 HB3 0.12 -0.01 0.20 -0.04 2.02 2.30 2b4gB1 GLN 216 HG2 0.03 0.03 0.05 -0.04 2.40 2.46 2b4gB1 GLN 216 HG3 0.01 -0.11 -0.10 -0.04 2.39 2.15 2b4gB1 GLN 216 HE21 -0.06 -0.01 -0.03 -0.04 6.97 6.83 2b4gB1 GLN 216 HE22 -0.08 0.01 -0.11 -0.04 7.69 7.46 2b4gB1 GLY 217 H 0.09 0.54 -0.39 -0.55 8.43 8.12 2b4gB1 GLY 217 HA2 -0.01 0.09 0.24 -0.51 4.01 3.81 2b4gB1 GLY 217 HA3 -0.04 0.00 0.60 -0.51 4.01 4.07 2b4gB1 PHE 218 H 0.36 0.39 -0.30 -0.55 8.34 8.23 2b4gB1 PHE 218 HA -0.04 0.31 0.56 -0.75 4.62 4.70 2b4gB1 PHE 218 HB2 -0.02 0.06 0.14 -0.04 3.15 3.28 2b4gB1 PHE 218 HB3 -0.02 -0.11 -0.05 -0.04 3.06 2.83 2b4gB1 PHE 218 HD2 -0.03 0.11 -0.12 -0.04 7.28 7.21 2b4gB1 PHE 218 HE2 -0.03 -0.00 -0.03 -0.04 7.38 7.28 2b4gB1 PHE 218 HZ -0.03 -0.05 -0.04 -0.04 7.32 7.16 2b4gB1 GLY 219 H -0.02 0.72 0.30 -0.55 8.43 8.88 2b4gB1 GLY 219 HA2 0.04 0.14 0.77 -0.51 4.01 4.45 2b4gB1 GLY 219 HA3 -0.00 -0.03 -0.01 -0.51 4.01 3.45 2b4gB1 GLY 220 H 0.01 0.62 0.31 -0.55 8.43 8.83 2b4gB1 GLY 220 HA2 0.01 0.21 0.49 -0.51 4.01 4.21 2b4gB1 GLY 220 HA3 0.01 -0.04 0.28 -0.51 4.01 3.76 2b4gB1 LEU 221 H -0.00 0.68 0.29 -0.55 8.37 8.80 2b4gB1 LEU 221 HA -0.04 0.35 1.07 -0.75 4.35 4.97 2b4gB1 LEU 221 HB2 -0.03 -0.08 0.18 -0.04 1.64 1.66 2b4gB1 LEU 221 HB3 -0.19 -0.00 0.08 -0.04 1.64 1.48 2b4gB1 LEU 221 HG -0.10 0.13 0.11 -0.04 1.64 1.74 2b4gB1 LEU 221 HD13 -0.24 -0.01 0.01 -0.04 0.93 0.65 2b4gB1 LEU 221 HD23 -0.26 -0.02 -0.13 -0.04 0.89 0.44 2b4gB1 GLY 222 H 0.07 0.55 0.33 -0.55 8.43 8.84 2b4gB1 GLY 222 HA2 0.12 0.19 0.73 -0.51 4.01 4.54 2b4gB1 GLY 222 HA3 0.09 -0.04 0.34 -0.51 4.01 3.89 2b4gB1 GLY 223 H 0.13 0.03 0.23 -0.55 8.43 8.28 2b4gB1 GLY 223 HA2 0.22 -0.05 0.35 -0.51 4.01 4.03 2b4gB1 GLY 223 HA3 0.26 0.16 0.84 -0.51 4.01 4.77 2b4gB1 LYS 224 H 0.10 0.40 0.18 -0.55 8.42 8.54 2b4gB1 LYS 224 HA 0.07 0.02 0.36 -0.75 4.32 4.02 2b4gB1 LYS 224 HB2 -0.27 0.12 0.22 -0.04 1.87 1.89 2b4gB1 LYS 224 HB3 -0.16 0.02 0.14 -0.04 1.79 1.75 2b4gB1 LYS 224 HG2 -0.53 -0.06 0.04 -0.04 1.46 0.86 2b4gB1 LYS 224 HG3 -0.36 -0.03 0.01 -0.04 1.46 1.04 2b4gB1 LYS 224 HD2 -0.26 0.03 0.09 -0.04 1.69 1.51 2b4gB1 LYS 224 HD3 -0.26 -0.00 0.05 -0.04 1.68 1.43 2b4gB1 LYS 224 HE2 -0.37 0.15 0.08 -0.04 2.99 2.81 2b4gB1 LYS 224 HE3 -0.28 0.02 0.04 -0.04 2.99 2.72 2b4gB1 TYR 225 H -0.05 0.26 -0.22 -0.55 8.29 7.73 2b4gB1 TYR 225 HA 0.04 0.09 0.37 -0.75 4.56 4.31 2b4gB1 TYR 225 HB2 0.06 -0.06 -0.18 -0.04 3.06 2.84 2b4gB1 TYR 225 HB3 0.05 0.04 -0.09 -0.04 2.98 2.94 2b4gB1 TYR 225 HD2 0.03 0.08 0.00 -0.04 7.15 7.22 2b4gB1 TYR 225 HE2 0.01 -0.03 -0.16 -0.04 6.85 6.63 2b4gB1 VAL 226 H 0.19 0.35 -0.41 -0.55 8.24 7.81 2b4gB1 VAL 226 HA 0.17 0.21 0.46 -0.75 4.13 4.21 2b4gB1 VAL 226 HB 0.17 -0.02 -0.08 -0.04 2.12 2.15 2b4gB1 VAL 226 HG13 0.15 0.07 -0.08 -0.04 0.97 1.08 2b4gB1 VAL 226 HG23 0.14 0.02 0.05 -0.04 0.95 1.12 2b4gB1 LEU 227 H 0.13 0.31 -0.18 -0.55 8.37 8.09 2b4gB1 LEU 227 HA 0.14 0.10 0.10 -0.75 4.35 3.93 2b4gB1 LEU 227 HB2 0.13 -0.06 0.12 -0.04 1.64 1.79 2b4gB1 LEU 227 HB3 0.07 0.11 0.15 -0.04 1.64 1.93 2b4gB1 LEU 227 HG 0.03 0.02 -0.26 -0.04 1.64 1.38 2b4gB1 LEU 227 HD13 0.08 -0.01 -0.01 -0.04 0.93 0.95 2b4gB1 LEU 227 HD23 0.06 0.01 0.01 -0.04 0.89 0.92 2b4gB1 PRO 228 HA 0.03 0.08 0.46 -0.51 4.44 4.50 2b4gB1 PRO 228 HB2 0.09 0.04 -0.01 -0.04 2.28 2.36 2b4gB1 PRO 228 HB3 0.06 0.05 0.07 -0.04 2.02 2.16 2b4gB1 PRO 228 HG2 0.06 0.08 0.04 -0.04 2.03 2.17 2b4gB1 PRO 228 HG3 0.04 0.04 0.05 -0.04 2.03 2.12 2b4gB1 PRO 228 HD2 0.09 0.18 -0.07 -0.04 3.68 3.84 2b4gB1 PRO 228 HD3 0.06 0.10 0.12 -0.04 3.65 3.89 2b4gB1 THR 229 H 0.13 0.14 -0.32 -0.55 8.28 7.68 2b4gB1 THR 229 HA 0.15 0.06 0.54 -0.75 4.39 4.38 2b4gB1 THR 229 HB 0.17 0.07 0.12 -0.04 4.32 4.65 2b4gB1 THR 229 HG23 0.11 0.01 -0.09 -0.04 1.22 1.21 2b4gB1 ALA 230 H 0.11 0.75 0.02 -0.55 8.40 8.74 2b4gB1 ALA 230 HA 0.12 -0.01 0.39 -0.75 4.34 4.10 2b4gB1 ALA 230 HB3 0.21 0.01 0.08 -0.04 1.41 1.67 2b4gB1 LEU 231 H -0.03 0.59 -0.06 -0.55 8.37 8.33 2b4gB1 LEU 231 HA -0.15 0.03 0.39 -0.75 4.35 3.86 2b4gB1 LEU 231 HB2 -0.05 0.05 0.08 -0.04 1.64 1.68 2b4gB1 LEU 231 HB3 -0.11 0.02 -0.01 -0.04 1.64 1.50 2b4gB1 LEU 231 HG -0.21 0.17 0.01 -0.04 1.64 1.56 2b4gB1 LEU 231 HD13 -0.07 -0.02 -0.09 -0.04 0.93 0.71 2b4gB1 LEU 231 HD23 -0.57 0.01 -0.18 -0.04 0.89 0.11 2b4gB1 ALA 232 H 0.04 0.44 -0.24 -0.55 8.40 8.09 2b4gB1 ALA 232 HA -0.01 0.03 0.43 -0.75 4.34 4.04 2b4gB1 ALA 232 HB3 0.13 0.02 0.12 -0.04 1.41 1.64 2b4gB1 ASN 233 H 0.10 0.53 -0.12 -0.55 8.53 8.49 2b4gB1 ASN 233 HA -0.05 -0.02 0.47 -0.75 4.76 4.40 2b4gB1 ASN 233 HB2 0.17 0.14 0.16 -0.04 2.88 3.31 2b4gB1 ASN 233 HB3 0.33 -0.03 -0.01 -0.04 2.79 3.03 2b4gB1 ASN 233 HD21 0.02 0.12 0.15 -0.04 7.03 7.28 2b4gB1 ASN 233 HD22 0.14 0.59 0.18 -0.04 7.74 8.61 2b4gB1 VAL 234 H 0.09 0.61 -0.05 -0.55 8.24 8.34 2b4gB1 VAL 234 HA 0.17 -0.00 0.40 -0.75 4.13 3.94 2b4gB1 VAL 234 HB 0.04 0.06 0.11 -0.04 2.12 2.29 2b4gB1 VAL 234 HG13 0.03 0.04 -0.38 -0.04 0.97 0.62 2b4gB1 VAL 234 HG23 0.20 0.01 0.03 -0.04 0.95 1.15 2b4gB1 ASN 235 H -0.02 0.47 -0.15 -0.55 8.53 8.29 2b4gB1 ASN 235 HA 0.06 0.34 0.50 -0.75 4.76 4.90 2b4gB1 ASN 235 HB2 -0.05 -0.00 0.19 -0.04 2.88 2.98 2b4gB1 ASN 235 HB3 -0.06 -0.04 0.12 -0.04 2.79 2.76 2b4gB1 ASN 235 HD21 0.05 -0.01 0.06 -0.04 7.03 7.08 2b4gB1 ASN 235 HD22 -0.05 0.60 0.25 -0.04 7.74 8.50 2b4gB1 ALA 236 H -0.24 0.58 -0.09 -0.55 8.40 8.09 2b4gB1 ALA 236 HA -0.35 -0.00 0.46 -0.75 4.34 3.70 2b4gB1 ALA 236 HB3 -1.26 -0.01 0.10 -0.04 1.41 0.19 2b4gB1 PHE 237 H -0.02 0.52 -0.18 -0.55 8.34 8.11 2b4gB1 PHE 237 HA -0.04 -0.01 0.49 -0.75 4.62 4.31 2b4gB1 PHE 237 HB2 0.03 0.13 0.10 -0.04 3.15 3.36 2b4gB1 PHE 237 HB3 0.02 0.01 -0.03 -0.04 3.06 3.02 2b4gB1 PHE 237 HD2 0.03 0.23 0.01 -0.04 7.28 7.51 2b4gB1 PHE 237 HE2 0.25 -0.08 -0.09 -0.04 7.38 7.42 2b4gB1 PHE 237 HZ 0.24 -0.06 -0.02 -0.04 7.32 7.44 2b4gB1 PHE 238 H 0.24 0.63 -0.04 -0.55 8.34 8.62 2b4gB1 PHE 238 HA 0.03 0.05 0.42 -0.75 4.62 4.37 2b4gB1 PHE 238 HB2 0.01 -0.01 0.17 -0.04 3.15 3.28 2b4gB1 PHE 238 HB3 -0.02 0.08 0.27 -0.04 3.06 3.35 2b4gB1 PHE 238 HD2 -0.01 -0.02 0.05 -0.04 7.28 7.26 2b4gB1 PHE 238 HE2 -0.02 0.02 0.04 -0.04 7.38 7.37 2b4gB1 PHE 238 HZ -0.03 0.03 -0.00 -0.04 7.32 7.27 2b4gB1 ARG 239 H 0.03 0.46 -0.33 -0.55 8.46 8.07 2b4gB1 ARG 239 HA -0.18 0.08 0.45 -0.75 4.34 3.93 2b4gB1 ARG 239 HB2 -0.08 0.10 0.12 -0.04 1.90 2.00 2b4gB1 ARG 239 HB3 -0.06 -0.12 0.01 -0.04 1.80 1.59 2b4gB1 ARG 239 HG2 0.03 -0.03 0.03 -0.04 1.67 1.66 2b4gB1 ARG 239 HG3 0.11 0.17 0.07 -0.04 1.67 1.98 2b4gB1 ARG 239 HD2 -0.05 -0.04 -0.03 -0.04 3.22 3.07 2b4gB1 ARG 239 HD3 -0.02 -0.09 -0.00 -0.04 3.22 3.06 2b4gB1 ARG 240 H -0.08 0.27 -0.22 -0.55 8.46 7.89 2b4gB1 ARG 240 HA -0.07 0.09 0.70 -0.75 4.34 4.30 2b4gB1 ARG 240 HB2 -0.09 0.05 0.10 -0.04 1.90 1.91 2b4gB1 ARG 240 HB3 -0.04 -0.10 0.03 -0.04 1.80 1.65 2b4gB1 ARG 240 HG2 -0.08 -0.07 -0.02 -0.04 1.67 1.45 2b4gB1 ARG 240 HG3 -0.13 0.05 -0.07 -0.04 1.67 1.48 2b4gB1 ARG 240 HD2 -0.37 0.07 -0.16 -0.04 3.22 2.72 2b4gB1 ARG 240 HD3 -0.15 0.01 -0.15 -0.04 3.22 2.90 2b4gB1 CYS 241 H -0.04 0.54 -0.22 -0.55 8.50 8.24 2b4gB1 CYS 241 HA -0.01 0.12 0.83 -0.75 4.58 4.77 2b4gB1 CYS 241 HB2 0.07 0.15 0.08 -0.04 2.97 3.23 2b4gB1 CYS 241 HB3 0.03 -0.04 -0.01 -0.04 2.97 2.91 2b4gB1 PRO 242 HA -0.15 0.19 0.27 -0.51 4.44 4.24 2b4gB1 PRO 242 HB2 -0.06 -0.01 -0.03 -0.04 2.28 2.13 2b4gB1 PRO 242 HB3 -0.09 0.04 0.05 -0.04 2.02 1.98 2b4gB1 PRO 242 HG2 -0.04 -0.02 0.05 -0.04 2.03 1.97 2b4gB1 PRO 242 HG3 -0.05 0.00 0.03 -0.04 2.03 1.97 2b4gB1 PRO 242 HD2 -0.03 0.08 0.17 -0.04 3.68 3.86 2b4gB1 PRO 242 HD3 -0.06 0.23 -0.26 -0.04 3.65 3.52 2b4gB1 ASP 243 H -0.03 0.08 -0.26 -0.55 8.40 7.64 2b4gB1 ASP 243 HA -0.02 0.18 0.80 -0.75 4.63 4.85 2b4gB1 ASP 243 HB2 -0.02 0.02 0.06 -0.04 2.71 2.72 2b4gB1 ASP 243 HB3 -0.01 -0.00 0.19 -0.04 2.70 2.84 2b4gB1 LYS 244 H -0.01 0.45 -0.29 -0.55 8.42 8.01 2b4gB1 LYS 244 HA 0.01 0.20 0.80 -0.75 4.32 4.58 2b4gB1 LYS 244 HB2 0.01 0.01 -0.11 -0.04 1.87 1.74 2b4gB1 LYS 244 HB3 -0.02 -0.05 -0.19 -0.04 1.79 1.48 2b4gB1 LYS 244 HG2 -0.02 0.28 -0.14 -0.04 1.46 1.54 2b4gB1 LYS 244 HG3 -0.01 -0.21 -0.35 -0.04 1.46 0.85 2b4gB1 LYS 244 HD2 -0.01 -0.13 -0.18 -0.04 1.69 1.32 2b4gB1 LYS 244 HD3 -0.07 -0.03 -0.22 -0.04 1.68 1.32 2b4gB1 LYS 244 HE2 0.00 -0.14 -0.25 -0.04 2.99 2.56 2b4gB1 LYS 244 HE3 -0.00 -0.06 -0.25 -0.04 2.99 2.63 2b4gB1 LEU 245 H 0.06 0.69 0.35 -0.55 8.37 8.92 2b4gB1 LEU 245 HA 0.12 0.23 0.88 -0.75 4.35 4.82 2b4gB1 LEU 245 HB2 0.10 -0.10 0.09 -0.04 1.64 1.68 2b4gB1 LEU 245 HB3 0.17 -0.07 0.12 -0.04 1.64 1.82 2b4gB1 LEU 245 HG 0.09 0.10 0.02 -0.04 1.64 1.81 2b4gB1 LEU 245 HD13 0.14 -0.04 -0.03 -0.04 0.93 0.95 2b4gB1 LEU 245 HD23 0.09 0.02 0.00 -0.04 0.89 0.96 2b4gB1 VAL 246 H 0.18 0.30 0.20 -0.55 8.24 8.37 2b4gB1 VAL 246 HA 0.07 0.19 1.04 -0.75 4.13 4.68 2b4gB1 VAL 246 HB 0.17 0.01 -0.07 -0.04 2.12 2.19 2b4gB1 VAL 246 HG13 0.13 0.01 -0.03 -0.04 0.97 1.03 2b4gB1 VAL 246 HG23 0.21 0.04 -0.23 -0.04 0.95 0.92 2b4gB1 PHE 247 H 0.15 0.68 0.29 -0.55 8.34 8.91 2b4gB1 PHE 247 HA -0.09 0.13 0.92 -0.75 4.62 4.83 2b4gB1 PHE 247 HB2 0.01 -0.10 -0.02 -0.04 3.15 3.00 2b4gB1 PHE 247 HB3 -0.13 0.02 -0.18 -0.04 3.06 2.73 2b4gB1 PHE 247 HD2 -0.21 -0.01 -0.39 -0.04 7.28 6.63 2b4gB1 PHE 247 HE2 -0.72 0.04 -0.20 -0.04 7.38 6.45 2b4gB1 PHE 247 HZ -0.51 0.08 -0.21 -0.04 7.32 6.64 2b4gB1 GLY 248 H -0.02 0.59 0.27 -0.55 8.43 8.71 2b4gB1 GLY 248 HA2 0.12 0.34 0.88 -0.51 4.01 4.84 2b4gB1 GLY 248 HA3 0.01 -0.01 0.33 -0.51 4.01 3.83 2b4gB1 CYS 249 H 0.06 0.85 0.32 -0.55 8.50 9.18 2b4gB1 CYS 249 HA -0.12 0.12 0.69 -0.75 4.58 4.51 2b4gB1 CYS 249 HB2 -0.01 0.01 -0.37 -0.04 2.97 2.57 2b4gB1 CYS 249 HB3 0.02 0.05 -0.18 -0.04 2.97 2.82 2b4gB1 GLY 250 H -0.03 0.13 -0.01 -0.55 8.43 7.98 2b4gB1 GLY 250 HA2 0.09 -0.17 0.32 -0.51 4.01 3.74 2b4gB1 GLY 250 HA3 0.15 0.29 0.82 -0.51 4.01 4.76 2b4gB1 GLY 251 H 0.11 -0.06 0.17 -0.55 8.43 8.10 2b4gB1 GLY 251 HA2 0.26 -0.03 0.13 -0.51 4.01 3.87 2b4gB1 GLY 251 HA3 0.21 0.15 0.25 -0.51 4.01 4.10 2b4gB1 VAL 252 H 0.05 -0.00 -0.21 -0.55 8.24 7.52 2b4gB1 VAL 252 HA 0.18 0.10 0.55 -0.75 4.13 4.21 2b4gB1 VAL 252 HB 0.01 -0.05 0.06 -0.04 2.12 2.10 2b4gB1 VAL 252 HG13 0.15 0.01 -0.21 -0.04 0.97 0.88 2b4gB1 VAL 252 HG23 0.04 0.04 -0.22 -0.04 0.95 0.76 2b4gB1 TYR 253 H 0.27 0.21 0.22 -0.55 8.29 8.44 2b4gB1 TYR 253 HA -0.03 0.13 0.74 -0.75 4.56 4.64 2b4gB1 TYR 253 HB2 0.00 0.04 0.02 -0.04 3.06 3.08 2b4gB1 TYR 253 HB3 -0.02 0.06 0.12 -0.04 2.98 3.10 2b4gB1 TYR 253 HD2 0.00 0.17 -0.18 -0.04 7.15 7.10 2b4gB1 TYR 253 HE2 0.01 -0.03 -0.17 -0.04 6.85 6.63 2b4gB1 SER 254 H 0.11 0.13 0.13 -0.55 8.46 8.29 2b4gB1 SER 254 HA 0.01 0.25 0.66 -0.75 4.49 4.65 2b4gB1 SER 254 HB2 0.04 0.01 0.12 -0.04 3.95 4.08 2b4gB1 SER 254 HB3 0.06 0.21 -0.24 -0.04 3.93 3.91 2b4gB1 GLY 255 H 0.03 0.26 0.12 -0.55 8.43 8.29 2b4gB1 GLY 255 HA2 0.22 0.15 0.50 -0.51 4.01 4.37 2b4gB1 GLY 255 HA3 0.10 0.10 0.13 -0.51 4.01 3.84 2b4gB1 GLU 256 H 0.07 0.08 -0.17 -0.55 8.60 8.04 2b4gB1 GLU 256 HA 0.10 0.19 0.36 -0.75 4.29 4.18 2b4gB1 GLU 256 HB2 0.02 0.12 0.05 -0.04 2.09 2.24 2b4gB1 GLU 256 HB3 0.01 0.02 0.06 -0.04 1.99 2.05 2b4gB1 GLU 256 HG2 0.03 0.05 -0.02 -0.04 2.34 2.36 2b4gB1 GLU 256 HG3 0.07 -0.21 -0.05 -0.04 2.34 2.11 2b4gB1 GLU 257 H 0.14 0.00 -0.24 -0.55 8.60 7.96 2b4gB1 GLU 257 HA 0.15 0.16 0.59 -0.75 4.29 4.44 2b4gB1 GLU 257 HB2 0.17 -0.18 0.16 -0.04 2.09 2.21 2b4gB1 GLU 257 HB3 0.21 0.09 -0.01 -0.04 1.99 2.24 2b4gB1 GLU 257 HG2 0.12 0.10 0.04 -0.04 2.34 2.55 2b4gB1 GLU 257 HG3 0.10 -0.03 -0.04 -0.04 2.34 2.33 2b4gB1 ALA 258 H 0.23 0.33 -0.21 -0.55 8.40 8.21 2b4gB1 ALA 258 HA 0.21 0.03 0.45 -0.75 4.34 4.28 2b4gB1 ALA 258 HB3 0.36 0.04 0.06 -0.04 1.41 1.82 2b4gB1 PHE 259 H 0.34 0.53 -0.16 -0.55 8.34 8.50 2b4gB1 PHE 259 HA 0.21 0.07 0.39 -0.75 4.62 4.54 2b4gB1 PHE 259 HB2 0.05 0.02 0.09 -0.04 3.15 3.27 2b4gB1 PHE 259 HB3 0.04 0.14 0.15 -0.04 3.06 3.35 2b4gB1 PHE 259 HD2 -0.20 0.01 -0.09 -0.04 7.28 6.96 2b4gB1 PHE 259 HE2 -0.68 0.02 -0.08 -0.04 7.38 6.60 2b4gB1 PHE 259 HZ -0.07 0.06 -0.06 -0.04 7.32 7.21 2b4gB1 LEU 260 H 0.20 0.27 -0.33 -0.55 8.37 7.96 2b4gB1 LEU 260 HA -0.08 0.08 0.41 -0.75 4.35 4.01 2b4gB1 LEU 260 HB2 0.05 0.07 0.13 -0.04 1.64 1.85 2b4gB1 LEU 260 HB3 -0.03 -0.02 -0.01 -0.04 1.64 1.54 2b4gB1 LEU 260 HG 0.17 0.23 0.09 -0.04 1.64 2.08 2b4gB1 LEU 260 HD13 0.05 -0.03 -0.02 -0.04 0.93 0.89 2b4gB1 LEU 260 HD23 0.12 -0.00 -0.03 -0.04 0.89 0.94 2b4gB1 HIS 261 H 0.15 0.40 -0.19 -0.55 8.41 8.23 2b4gB1 HIS 261 HA -0.03 0.02 0.44 -0.75 4.63 4.31 2b4gB1 HIS 261 HB2 0.01 0.10 0.16 -0.04 3.26 3.49 2b4gB1 HIS 261 HB3 -0.04 0.00 -0.05 -0.04 3.20 3.07 2b4gB1 HIS 261 HD2 0.07 0.04 -0.12 -0.04 6.97 6.91 2b4gB1 HIS 261 HE1 0.05 0.04 -0.22 -0.04 7.75 7.58 2b4gB1 ILE 262 H 0.02 0.52 -0.16 -0.55 8.25 8.08 2b4gB1 ILE 262 HA -0.17 0.20 0.45 -0.75 4.18 3.90 2b4gB1 ILE 262 HB 0.06 0.03 0.10 -0.04 1.89 2.04 2b4gB1 ILE 262 HG12 -0.18 0.17 -0.08 -0.04 1.49 1.36 2b4gB1 ILE 262 HG13 -0.05 0.10 0.00 -0.04 1.21 1.22 2b4gB1 ILE 262 HG23 -0.61 0.02 -0.08 -0.04 0.93 0.22 2b4gB1 ILE 262 HD13 -0.10 -0.04 -0.08 -0.04 0.88 0.62 2b4gB1 LEU 263 H -0.21 0.56 -0.16 -0.55 8.37 8.01 2b4gB1 LEU 263 HA -0.19 0.19 0.44 -0.75 4.35 4.04 2b4gB1 LEU 263 HB2 -0.36 0.17 0.20 -0.04 1.64 1.62 2b4gB1 LEU 263 HB3 -0.17 0.00 -0.00 -0.04 1.64 1.43 2b4gB1 LEU 263 HG -0.11 -0.07 -0.08 -0.04 1.64 1.33 2b4gB1 LEU 263 HD13 -0.18 0.03 -0.06 -0.04 0.93 0.67 2b4gB1 LEU 263 HD23 -0.32 -0.02 -0.06 -0.04 0.89 0.45 2b4gB1 ALA 264 H -0.16 0.44 -0.27 -0.55 8.40 7.86 2b4gB1 ALA 264 HA -0.16 0.04 0.48 -0.75 4.34 3.95 2b4gB1 ALA 264 HB3 -0.11 -0.01 0.14 -0.04 1.41 1.39 2b4gB1 GLY 265 H -0.32 0.24 -0.32 -0.55 8.43 7.49 2b4gB1 GLY 265 HA2 -1.19 0.04 0.22 -0.51 4.01 2.56 2b4gB1 GLY 265 HA3 -0.87 0.15 0.72 -0.51 4.01 3.50 2b4gB1 ALA 266 H -0.14 0.36 0.13 -0.55 8.40 8.21 2b4gB1 ALA 266 HA 0.02 0.20 0.26 -0.75 4.34 4.07 2b4gB1 ALA 266 HB3 -0.01 -0.03 -0.18 -0.04 1.41 1.15 2b4gB1 SER 267 H 0.07 0.63 0.43 -0.55 8.46 9.04 2b4gB1 SER 267 HA -0.12 0.12 0.74 -0.75 4.49 4.48 2b4gB1 SER 267 HB2 0.18 -0.12 0.12 -0.04 3.95 4.09 2b4gB1 SER 267 HB3 -0.04 -0.04 -0.01 -0.04 3.93 3.80 2b4gB1 MET 268 H -0.46 0.05 0.12 -0.55 8.47 7.64 2b4gB1 MET 268 HA -0.51 0.27 0.93 -0.75 4.52 4.45 2b4gB1 MET 268 HB2 -2.00 -0.14 -0.07 -0.04 2.15 -0.09 2b4gB1 MET 268 HB3 -0.84 0.09 -0.05 -0.04 2.03 1.19 2b4gB1 MET 268 HG2 -1.10 -0.08 -0.22 -0.04 2.63 1.19 2b4gB1 MET 268 HG3 -1.39 -0.01 -0.18 -0.04 2.56 0.93 2b4gB1 MET 268 HE3 -0.49 0.05 -0.26 -0.04 2.10 1.37 2b4gB1 VAL 269 H -0.40 0.91 0.18 -0.55 8.24 8.39 2b4gB1 VAL 269 HA -0.24 0.22 0.92 -0.75 4.13 4.28 2b4gB1 VAL 269 HB -0.43 -0.07 -0.06 -0.04 2.12 1.52 2b4gB1 VAL 269 HG13 -0.08 -0.04 -0.17 -0.04 0.97 0.64 2b4gB1 VAL 269 HG23 -0.25 0.03 -0.29 -0.04 0.95 0.40 2b4gB1 GLN 270 H -0.15 0.76 0.26 -0.55 8.47 8.79 2b4gB1 GLN 270 HA 0.00 0.35 0.54 -0.75 4.36 4.49 2b4gB1 GLN 270 HB2 -0.05 -0.10 -0.04 -0.04 2.15 1.93 2b4gB1 GLN 270 HB3 -0.02 -0.08 -0.33 -0.04 2.02 1.55 2b4gB1 GLN 270 HG2 -0.17 0.09 -0.37 -0.04 2.40 1.91 2b4gB1 GLN 270 HG3 -0.10 0.08 -0.30 -0.04 2.39 2.03 2b4gB1 GLN 270 HE21 0.01 -0.06 -0.22 -0.04 6.97 6.66 2b4gB1 GLN 270 HE22 -0.11 0.07 -0.26 -0.04 7.69 7.35 2b4gB1 VAL 271 H 0.10 0.48 0.20 -0.55 8.24 8.48 2b4gB1 VAL 271 HA -0.03 0.02 0.89 -0.75 4.13 4.26 2b4gB1 VAL 271 HB 0.02 0.05 0.06 -0.04 2.12 2.22 2b4gB1 VAL 271 HG13 -0.21 -0.00 -0.14 -0.04 0.97 0.58 2b4gB1 VAL 271 HG23 0.09 0.06 -0.26 -0.04 0.95 0.79 2b4gB1 GLY 272 H -0.05 0.04 0.07 -0.55 8.43 7.94 2b4gB1 GLY 272 HA2 0.03 0.26 0.76 -0.51 4.01 4.55 2b4gB1 GLY 272 HA3 0.01 0.03 0.31 -0.51 4.01 3.86 2b4gB1 THR 273 H -0.01 0.09 0.11 -0.55 8.28 7.92 2b4gB1 THR 273 HA 0.08 0.13 0.28 -0.75 4.39 4.13 2b4gB1 THR 273 HB -0.08 -0.11 0.08 -0.04 4.32 4.17 2b4gB1 THR 273 HG23 0.12 0.03 -0.25 -0.04 1.22 1.08 2b4gB1 ALA 274 H -0.42 0.04 -0.14 -0.55 8.40 7.34 2b4gB1 ALA 274 HA -0.24 0.11 0.37 -0.75 4.34 3.83 2b4gB1 ALA 274 HB3 -0.62 0.02 0.08 -0.04 1.41 0.85 2b4gB1 LEU 275 H -0.14 0.07 -0.43 -0.55 8.37 7.32 2b4gB1 LEU 275 HA -0.15 0.09 0.35 -0.75 4.35 3.89 2b4gB1 LEU 275 HB2 -0.14 -0.03 -0.08 -0.04 1.64 1.35 2b4gB1 LEU 275 HB3 -0.02 0.20 -0.04 -0.04 1.64 1.74 2b4gB1 LEU 275 HG 0.01 -0.04 -0.38 -0.04 1.64 1.19 2b4gB1 LEU 275 HD13 0.01 -0.02 -0.22 -0.04 0.93 0.67 2b4gB1 LEU 275 HD23 0.18 0.02 -0.04 -0.04 0.89 1.01 2b4gB1 HIS 276 H 0.07 0.38 -0.17 -0.55 8.41 8.15 2b4gB1 HIS 276 HA -0.08 0.00 0.48 -0.75 4.63 4.28 2b4gB1 HIS 276 HB2 -0.04 -0.08 0.00 -0.04 3.26 3.11 2b4gB1 HIS 276 HB3 0.02 0.12 0.09 -0.04 3.20 3.38 2b4gB1 HIS 276 HD2 -0.25 -0.05 -0.01 -0.04 6.97 6.61 2b4gB1 HIS 276 HE1 -0.50 0.03 -0.05 -0.04 7.75 7.19 2b4gB1 ASP 277 H 0.07 0.42 -0.17 -0.55 8.40 8.18 2b4gB1 ASP 277 HA 0.10 0.02 0.38 -0.75 4.63 4.38 2b4gB1 ASP 277 HB2 0.05 0.12 0.17 -0.04 2.71 3.00 2b4gB1 ASP 277 HB3 0.06 -0.01 0.02 -0.04 2.70 2.73 2b4gB1 GLU 278 H -0.04 0.16 -0.24 -0.55 8.60 7.94 2b4gB1 GLU 278 HA -0.03 0.16 0.57 -0.75 4.29 4.24 2b4gB1 GLU 278 HB2 -0.03 -0.04 -0.01 -0.04 2.09 1.97 2b4gB1 GLU 278 HB3 -0.09 0.02 0.06 -0.04 1.99 1.94 2b4gB1 GLU 278 HG2 -0.08 -0.07 -0.11 -0.04 2.34 2.04 2b4gB1 GLU 278 HG3 -0.04 0.02 0.06 -0.04 2.34 2.34 2b4gB1 GLY 279 H -0.07 0.53 0.08 -0.55 8.43 8.43 2b4gB1 GLY 279 HA2 -0.05 0.07 0.39 -0.51 4.01 3.91 2b4gB1 GLY 279 HA3 -0.04 0.13 0.71 -0.51 4.01 4.30 2b4gB1 PRO 280 HA 0.18 0.04 0.32 -0.51 4.44 4.47 2b4gB1 PRO 280 HB2 0.12 0.11 0.02 -0.04 2.28 2.49 2b4gB1 PRO 280 HB3 0.15 0.06 0.04 -0.04 2.02 2.22 2b4gB1 PRO 280 HG2 0.03 0.07 0.04 -0.04 2.03 2.13 2b4gB1 PRO 280 HG3 0.04 0.04 0.02 -0.04 2.03 2.08 2b4gB1 PRO 280 HD2 -0.00 0.15 0.22 -0.04 3.68 4.01 2b4gB1 PRO 280 HD3 0.01 0.11 0.19 -0.04 3.65 3.91 2b4gB1 ILE 281 H 0.00 0.20 -0.34 -0.55 8.25 7.56 2b4gB1 ILE 281 HA 0.03 0.08 0.55 -0.75 4.18 4.09 2b4gB1 ILE 281 HB -0.00 0.03 0.07 -0.04 1.89 1.95 2b4gB1 ILE 281 HG12 -0.01 0.05 -0.00 -0.04 1.49 1.49 2b4gB1 ILE 281 HG13 -0.02 -0.07 -0.02 -0.04 1.21 1.06 2b4gB1 ILE 281 HG23 -0.03 0.04 -0.14 -0.04 0.93 0.75 2b4gB1 ILE 281 HD13 0.01 0.00 0.07 -0.04 0.88 0.92 2b4gB1 ILE 282 H -0.11 0.49 -0.30 -0.55 8.25 7.78 2b4gB1 ILE 282 HA -0.16 0.03 0.36 -0.75 4.18 3.65 2b4gB1 ILE 282 HB -0.21 0.14 -0.01 -0.04 1.89 1.77 2b4gB1 ILE 282 HG12 -0.43 -0.06 -0.24 -0.04 1.49 0.71 2b4gB1 ILE 282 HG13 -0.21 0.01 -0.03 -0.04 1.21 0.93 2b4gB1 ILE 282 HG23 -0.75 -0.01 -0.15 -0.04 0.93 -0.02 2b4gB1 ILE 282 HD13 -0.23 0.00 -0.24 -0.04 0.88 0.37 2b4gB1 PHE 283 H -0.09 0.43 -0.39 -0.55 8.34 7.73 2b4gB1 PHE 283 HA -0.23 -0.01 0.28 -0.75 4.62 3.91 2b4gB1 PHE 283 HB2 -0.03 0.06 0.08 -0.04 3.15 3.22 2b4gB1 PHE 283 HB3 -0.04 0.07 -0.22 -0.04 3.06 2.83 2b4gB1 PHE 283 HD2 -0.06 0.11 -0.00 -0.04 7.28 7.28 2b4gB1 PHE 283 HE2 0.02 0.03 -0.13 -0.04 7.38 7.26 2b4gB1 PHE 283 HZ -0.01 -0.01 -0.28 -0.04 7.32 6.98 2b4gB1 ALA 284 H 0.04 0.33 -0.16 -0.55 8.40 8.06 2b4gB1 ALA 284 HA 0.04 0.13 0.47 -0.75 4.34 4.23 2b4gB1 ALA 284 HB3 0.02 0.04 0.10 -0.04 1.41 1.53 2b4gB1 ARG 285 H -0.06 0.28 -0.12 -0.55 8.46 8.01 2b4gB1 ARG 285 HA -0.04 0.05 0.49 -0.75 4.34 4.08 2b4gB1 ARG 285 HB2 -0.05 0.03 0.09 -0.04 1.90 1.92 2b4gB1 ARG 285 HB3 -0.11 0.15 0.14 -0.04 1.80 1.94 2b4gB1 ARG 285 HG2 -0.08 -0.06 -0.19 -0.04 1.67 1.30 2b4gB1 ARG 285 HG3 -0.04 -0.04 0.01 -0.04 1.67 1.56 2b4gB1 ARG 285 HD2 -0.03 -0.01 0.00 -0.04 3.22 3.13 2b4gB1 ARG 285 HD3 -0.04 0.03 0.00 -0.04 3.22 3.17 2b4gB1 LEU 286 H -0.22 0.62 -0.14 -0.55 8.37 8.08 2b4gB1 LEU 286 HA -0.20 -0.15 0.31 -0.75 4.35 3.56 2b4gB1 LEU 286 HB2 -0.72 0.13 0.02 -0.04 1.64 1.03 2b4gB1 LEU 286 HB3 -1.51 -0.02 -0.13 -0.04 1.64 -0.06 2b4gB1 LEU 286 HG -0.40 0.26 -0.13 -0.04 1.64 1.32 2b4gB1 LEU 286 HD13 -0.59 -0.01 -0.26 -0.04 0.93 0.02 2b4gB1 LEU 286 HD23 -0.18 -0.03 -0.39 -0.04 0.89 0.25 2b4gB1 ASN 287 H -0.10 0.56 -0.21 -0.55 8.53 8.23 2b4gB1 ASN 287 HA 0.24 0.01 0.48 -0.75 4.76 4.74 2b4gB1 ASN 287 HB2 0.06 0.12 0.19 -0.04 2.88 3.21 2b4gB1 ASN 287 HB3 0.10 0.01 -0.00 -0.04 2.79 2.86 2b4gB1 ASN 287 HD21 0.14 0.26 -0.06 -0.04 7.03 7.33 2b4gB1 ASN 287 HD22 0.09 -0.07 -0.00 -0.04 7.74 7.72 2b4gB1 LYS 288 H 0.01 0.51 -0.09 -0.55 8.42 8.29 2b4gB1 LYS 288 HA 0.04 0.06 0.43 -0.75 4.32 4.09 2b4gB1 LYS 288 HB2 0.01 0.07 0.14 -0.04 1.87 2.04 2b4gB1 LYS 288 HB3 -0.00 0.06 0.22 -0.04 1.79 2.03 2b4gB1 LYS 288 HG2 0.01 -0.05 -0.09 -0.04 1.46 1.29 2b4gB1 LYS 288 HG3 0.01 0.02 0.02 -0.04 1.46 1.47 2b4gB1 LYS 288 HD2 -0.00 -0.01 0.00 -0.04 1.69 1.64 2b4gB1 LYS 288 HD3 -0.00 -0.04 -0.05 -0.04 1.68 1.54 2b4gB1 LYS 288 HE2 -0.00 -0.03 -0.02 -0.04 2.99 2.90 2b4gB1 LYS 288 HE3 0.00 0.01 -0.03 -0.04 2.99 2.93 2b4gB1 GLU 289 H 0.01 0.63 -0.09 -0.55 8.60 8.60 2b4gB1 GLU 289 HA 0.01 0.06 0.43 -0.75 4.29 4.03 2b4gB1 GLU 289 HB2 0.00 0.06 0.21 -0.04 2.09 2.33 2b4gB1 GLU 289 HB3 0.02 -0.20 0.11 -0.04 1.99 1.88 2b4gB1 GLU 289 HG2 -0.01 0.02 0.06 -0.04 2.34 2.37 2b4gB1 GLU 289 HG3 -0.01 0.18 0.09 -0.04 2.34 2.56 2b4gB1 LEU 290 H 0.13 0.65 -0.04 -0.55 8.37 8.57 2b4gB1 LEU 290 HA 0.14 -0.03 0.45 -0.75 4.35 4.17 2b4gB1 LEU 290 HB2 0.39 -0.08 0.16 -0.04 1.64 2.06 2b4gB1 LEU 290 HB3 0.31 0.13 0.16 -0.04 1.64 2.19 2b4gB1 LEU 290 HG 0.25 0.05 -0.17 -0.04 1.64 1.73 2b4gB1 LEU 290 HD13 0.36 -0.02 -0.01 -0.04 0.93 1.23 2b4gB1 LEU 290 HD23 0.13 0.00 -0.04 -0.04 0.89 0.94 2b4gB1 GLN 291 H 0.11 0.58 -0.15 -0.55 8.47 8.47 2b4gB1 GLN 291 HA 0.11 0.05 0.39 -0.75 4.36 4.15 2b4gB1 GLN 291 HB2 0.09 0.21 0.16 -0.04 2.15 2.57 2b4gB1 GLN 291 HB3 0.06 0.04 0.08 -0.04 2.02 2.16 2b4gB1 GLN 291 HG2 0.05 -0.01 -0.08 -0.04 2.40 2.32 2b4gB1 GLN 291 HG3 0.08 -0.01 -0.01 -0.04 2.39 2.40 2b4gB1 GLN 291 HE21 0.06 -0.01 -0.05 -0.04 6.97 6.92 2b4gB1 GLN 291 HE22 0.06 0.01 -0.06 -0.04 7.69 7.66 2b4gB1 GLU 292 H 0.03 0.55 -0.13 -0.55 8.60 8.51 2b4gB1 GLU 292 HA 0.00 0.03 0.44 -0.75 4.29 4.00 2b4gB1 GLU 292 HB2 0.00 0.09 0.14 -0.04 2.09 2.28 2b4gB1 GLU 292 HB3 -0.01 0.03 0.18 -0.04 1.99 2.15 2b4gB1 GLU 292 HG2 -0.02 -0.05 -0.01 -0.04 2.34 2.23 2b4gB1 GLU 292 HG3 -0.03 -0.02 -0.16 -0.04 2.34 2.09 2b4gB1 ILE 293 H -0.03 0.49 -0.13 -0.55 8.25 8.04 2b4gB1 ILE 293 HA -0.14 0.01 0.43 -0.75 4.18 3.72 2b4gB1 ILE 293 HB -0.16 0.09 0.10 -0.04 1.89 1.87 2b4gB1 ILE 293 HG12 -0.17 -0.01 0.01 -0.04 1.49 1.28 2b4gB1 ILE 293 HG13 -0.08 0.04 0.04 -0.04 1.21 1.17 2b4gB1 ILE 293 HG23 -0.74 -0.00 -0.11 -0.04 0.93 0.03 2b4gB1 ILE 293 HD13 -0.07 -0.05 -0.17 -0.04 0.88 0.55 2b4gB1 MET 294 H -0.01 0.53 -0.17 -0.55 8.47 8.27 2b4gB1 MET 294 HA 0.07 -0.03 0.45 -0.75 4.52 4.25 2b4gB1 MET 294 HB2 0.11 0.15 0.14 -0.04 2.15 2.51 2b4gB1 MET 294 HB3 0.19 0.19 -0.08 -0.04 2.03 2.29 2b4gB1 MET 294 HG2 0.23 -0.06 -0.08 -0.04 2.63 2.68 2b4gB1 MET 294 HG3 0.14 0.03 0.02 -0.04 2.56 2.71 2b4gB1 MET 294 HE3 0.28 0.09 -0.46 -0.04 2.10 1.96 2b4gB1 THR 295 H 0.01 0.54 -0.11 -0.55 8.28 8.17 2b4gB1 THR 295 HA 0.01 0.07 0.43 -0.75 4.39 4.15 2b4gB1 THR 295 HB -0.01 0.06 0.18 -0.04 4.32 4.52 2b4gB1 THR 295 HG23 -0.01 -0.02 -0.07 -0.04 1.22 1.08 2b4gB1 ASN 296 H -0.06 0.57 -0.09 -0.55 8.53 8.41 2b4gB1 ASN 296 HA -0.06 -0.01 0.43 -0.75 4.76 4.37 2b4gB1 ASN 296 HB2 -0.11 0.11 0.18 -0.04 2.88 3.02 2b4gB1 ASN 296 HB3 -0.09 -0.07 0.04 -0.04 2.79 2.64 2b4gB1 ASN 296 HD21 -0.05 -0.09 -0.06 -0.04 7.03 6.80 2b4gB1 ASN 296 HD22 -0.08 -0.05 -0.03 -0.04 7.74 7.54 2b4gB1 LYS 297 H -0.13 0.39 -0.26 -0.55 8.42 7.86 2b4gB1 LYS 297 HA -0.17 0.08 0.61 -0.75 4.32 4.08 2b4gB1 LYS 297 HB2 -0.19 0.02 0.07 -0.04 1.87 1.73 2b4gB1 LYS 297 HB3 -0.32 -0.04 0.09 -0.04 1.79 1.48 2b4gB1 LYS 297 HG2 -0.14 -0.04 -0.04 -0.04 1.46 1.19 2b4gB1 LYS 297 HG3 -0.21 0.06 0.00 -0.04 1.46 1.28 2b4gB1 LYS 297 HD2 -0.65 -0.02 -0.09 -0.04 1.69 0.89 2b4gB1 LYS 297 HD3 0.02 0.01 -0.04 -0.04 1.68 1.63 2b4gB1 LYS 297 HE2 -0.30 -0.05 -0.03 -0.04 2.99 2.57 2b4gB1 LYS 297 HE3 -0.30 -0.04 -0.04 -0.04 2.99 2.56 2b4gB1 GLY 298 H -0.12 0.35 -0.25 -0.55 8.43 7.86 2b4gB1 GLY 298 HA2 -0.07 0.03 0.28 -0.51 4.01 3.75 2b4gB1 GLY 298 HA3 -0.15 0.02 0.50 -0.51 4.01 3.88 2b4gB1 TYR 299 H -0.04 0.47 0.03 -0.55 8.29 8.20 2b4gB1 TYR 299 HA 0.10 0.09 0.74 -0.75 4.56 4.73 2b4gB1 TYR 299 HB2 0.05 -0.06 0.08 -0.04 3.06 3.08 2b4gB1 TYR 299 HB3 0.29 0.01 -0.03 -0.04 2.98 3.22 2b4gB1 TYR 299 HD2 -0.01 -0.05 -0.05 -0.04 7.15 7.00 2b4gB1 TYR 299 HE2 0.11 0.01 -0.07 -0.04 6.85 6.86 2b4gB1 LYS 300 H 0.24 0.07 0.20 -0.55 8.42 8.37 2b4gB1 LYS 300 HA 0.12 0.21 0.87 -0.75 4.32 4.77 2b4gB1 LYS 300 HB2 0.10 -0.04 0.07 -0.04 1.87 1.97 2b4gB1 LYS 300 HB3 0.08 0.04 0.05 -0.04 1.79 1.92 2b4gB1 LYS 300 HG2 0.07 0.05 -0.10 -0.04 1.46 1.43 2b4gB1 LYS 300 HG3 0.08 0.06 -0.12 -0.04 1.46 1.43 2b4gB1 LYS 300 HD2 0.05 -0.03 -0.01 -0.04 1.69 1.66 2b4gB1 LYS 300 HD3 0.05 0.04 0.00 -0.04 1.68 1.73 2b4gB1 LYS 300 HE2 0.03 0.02 -0.02 -0.04 2.99 2.98 2b4gB1 LYS 300 HE3 0.03 0.01 -0.02 -0.04 2.99 2.97 2b4gB1 THR 301 H 0.19 0.09 0.19 -0.55 8.28 8.19 2b4gB1 THR 301 HA 0.08 0.46 0.86 -0.75 4.39 5.04 2b4gB1 THR 301 HB 0.02 0.03 0.16 -0.04 4.32 4.49 2b4gB1 THR 301 HG23 0.06 0.03 -0.16 -0.04 1.22 1.11 2b4gB1 LEU 302 H -0.04 0.33 0.19 -0.55 8.37 8.30 2b4gB1 LEU 302 HA -0.55 0.08 0.43 -0.75 4.35 3.55 2b4gB1 LEU 302 HB2 -0.19 0.05 0.13 -0.04 1.64 1.59 2b4gB1 LEU 302 HB3 -0.40 0.04 0.06 -0.04 1.64 1.29 2b4gB1 LEU 302 HG -0.05 0.09 0.06 -0.04 1.64 1.70 2b4gB1 LEU 302 HD13 -0.15 0.03 -0.02 -0.04 0.93 0.74 2b4gB1 LEU 302 HD23 0.05 -0.04 -0.03 -0.04 0.89 0.83 2b4gB1 ASP 303 H -0.13 0.12 -0.04 -0.55 8.40 7.80 2b4gB1 ASP 303 HA -0.21 0.13 0.50 -0.75 4.63 4.29 2b4gB1 ASP 303 HB2 -0.05 -0.04 0.07 -0.04 2.71 2.65 2b4gB1 ASP 303 HB3 -0.04 0.08 0.09 -0.04 2.70 2.78 2b4gB1 GLU 304 H -0.06 0.10 -0.55 -0.55 8.60 7.56 2b4gB1 GLU 304 HA 0.04 0.13 0.68 -0.75 4.29 4.39 2b4gB1 GLU 304 HB2 0.21 0.13 0.13 -0.04 2.09 2.51 2b4gB1 GLU 304 HB3 0.30 0.05 0.08 -0.04 1.99 2.38 2b4gB1 GLU 304 HG2 0.11 0.07 0.05 -0.04 2.34 2.53 2b4gB1 GLU 304 HG3 0.09 -0.09 0.01 -0.04 2.34 2.31 2b4gB1 PHE 305 H -0.47 0.36 -0.20 -0.55 8.34 7.48 2b4gB1 PHE 305 HA -0.23 0.23 0.79 -0.75 4.62 4.66 2b4gB1 PHE 305 HB2 -0.49 -0.05 0.05 -0.04 3.15 2.62 2b4gB1 PHE 305 HB3 -1.30 0.02 -0.20 -0.04 3.06 1.53 2b4gB1 PHE 305 HD2 -0.63 -0.04 -0.14 -0.04 7.28 6.43 2b4gB1 PHE 305 HE2 -0.16 -0.04 -0.09 -0.04 7.38 7.05 2b4gB1 PHE 305 HZ 0.09 -0.06 -0.06 -0.04 7.32 7.25 2b4gB1 ARG 306 H -0.51 0.23 0.15 -0.55 8.46 7.78 2b4gB1 ARG 306 HA -0.40 0.18 0.31 -0.75 4.34 3.68 2b4gB1 ARG 306 HB2 -0.42 -0.03 -0.00 -0.04 1.90 1.41 2b4gB1 ARG 306 HB3 -0.25 -0.09 0.09 -0.04 1.80 1.51 2b4gB1 ARG 306 HG2 -0.11 -0.03 -0.19 -0.04 1.67 1.30 2b4gB1 ARG 306 HG3 -0.32 0.02 -0.25 -0.04 1.67 1.08 2b4gB1 ARG 306 HD2 -0.07 0.00 -0.30 -0.04 3.22 2.81 2b4gB1 ARG 306 HD3 -0.20 0.50 -0.27 -0.04 3.22 3.20 2b4gB1 GLY 307 H -0.37 0.35 0.27 -0.55 8.43 8.13 2b4gB1 GLY 307 HA2 -0.65 0.03 0.12 -0.51 4.01 2.99 2b4gB1 GLY 307 HA3 -0.48 0.07 0.52 -0.51 4.01 3.61 2b4gB1 ARG 308 H -0.13 0.49 -0.19 -0.55 8.46 8.08 2b4gB1 ARG 308 HA 0.01 0.14 0.53 -0.75 4.34 4.27 2b4gB1 ARG 308 HB2 -0.01 0.14 0.07 -0.04 1.90 2.06 2b4gB1 ARG 308 HB3 0.05 -0.12 0.14 -0.04 1.80 1.83 2b4gB1 ARG 308 HG2 -0.01 0.10 -0.39 -0.04 1.67 1.32 2b4gB1 ARG 308 HG3 0.03 0.11 -0.08 -0.04 1.67 1.69 2b4gB1 ARG 308 HD2 0.05 -0.08 -0.00 -0.04 3.22 3.15 2b4gB1 ARG 308 HD3 0.04 0.05 -0.11 -0.04 3.22 3.16 2b4gB1 VAL 309 H -0.09 0.42 -0.29 -0.55 8.24 7.73 2b4gB1 VAL 309 HA -0.02 -0.07 0.44 -0.75 4.13 3.72 2b4gB1 VAL 309 HB -0.08 -0.07 -0.19 -0.04 2.12 1.75 2b4gB1 VAL 309 HG13 -0.05 0.03 -0.09 -0.04 0.97 0.82 2b4gB1 VAL 309 HG23 -0.02 -0.02 -0.16 -0.04 0.95 0.71 2b4gB1 LYS 310 H 0.02 0.04 0.18 -0.55 8.42 8.11 2b4gB1 LYS 310 HA 0.02 0.15 0.63 -0.75 4.32 4.37 2b4gB1 LYS 310 HB2 0.03 -0.09 0.14 -0.04 1.87 1.92 2b4gB1 LYS 310 HB3 0.03 0.04 0.00 -0.04 1.79 1.82 2b4gB1 LYS 310 HG2 0.04 0.00 0.03 -0.04 1.46 1.49 2b4gB1 LYS 310 HG3 0.05 0.21 -0.01 -0.04 1.46 1.67 2b4gB1 LYS 310 HD2 0.06 -0.04 0.03 -0.04 1.69 1.70 2b4gB1 LYS 310 HD3 0.04 -0.05 0.01 -0.04 1.68 1.64 2b4gB1 LYS 310 HE2 0.05 -0.03 0.01 -0.04 2.99 2.98 2b4gB1 LYS 310 HE3 0.07 0.10 0.02 -0.04 2.99 3.14 2b4gB1 THR 311 H 0.02 0.20 0.19 -0.55 8.28 8.14 2b4gB1 THR 311 HA 0.01 0.18 0.86 -0.75 4.39 4.69 2b4gB1 THR 311 HB 0.01 -0.19 0.14 -0.04 4.32 4.24 2b4gB1 THR 311 HG23 0.01 0.05 -0.13 -0.04 1.22 1.11 2b4gB1 MET 312 H 0.01 0.12 0.12 -0.55 8.47 8.17 2b4gB1 MET 312 HA 0.01 0.24 0.81 -0.75 4.52 4.83 2b4gB1 MET 312 HB2 0.01 -0.04 0.03 -0.04 2.15 2.12 2b4gB1 MET 312 HB3 0.01 0.03 0.13 -0.04 2.03 2.17 2b4gB1 MET 312 HG2 0.01 0.06 -0.06 -0.04 2.63 2.60 2b4gB1 MET 312 HG3 0.02 -0.03 -0.14 -0.04 2.56 2.36 2b4gB1 MET 312 HE3 0.01 -0.00 -0.01 -0.04 2.10 2.06 2b4gB1 ASP 313 H 0.01 -0.00 -0.16 -0.55 8.40 7.70 2b4gB1 ASP 313 HA 0.01 0.10 0.17 -0.75 4.63 4.16 2b4gB1 ASP 313 HB2 0.01 0.04 0.05 -0.04 2.71 2.76 2b4gB1 ASP 313 HB3 0.01 -0.03 0.04 -0.04 2.70 2.68