============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. TRP 29 1.040 16.011 41.226 43.308 -99.200 -91.000 TRP6 29 1.020 17.187 39.913 41.739 -99.200 -91.000 TRP 40 1.040 23.970 34.183 56.773 -99.200 -91.000 TRP6 40 1.020 26.129 35.140 56.586 -99.200 -91.000 HIS 52 0.900 32.463 30.861 75.399 -99.200 -91.000 TYR 101 0.840 16.507 33.503 43.096 -99.200 -91.000 TYR 102 0.840 16.709 38.170 46.094 -99.200 -91.000 TRP 104 1.040 25.640 32.678 42.773 -99.200 -91.000 TRP6 104 1.020 27.083 31.590 41.252 -99.200 -91.000 HIS 111 0.900 35.076 52.878 33.308 -99.200 -91.000 PHE 128 1.000 32.309 56.156 12.566 -99.200 -91.000 TRP 129 1.040 40.901 51.256 9.308 -99.200 -91.000 TRP6 129 1.020 40.718 49.603 7.609 -99.200 -91.000 TRP 135 1.040 22.217 50.322 -4.669 -99.200 -91.000 TRP6 135 1.020 19.981 49.936 -3.979 -99.200 -91.000 HIS 138 0.900 21.486 49.533 0.781 -99.200 -91.000 PHE 142 1.000 28.558 55.083 4.537 -99.200 -91.000 TYR 152 0.840 30.105 58.223 1.121 -99.200 -91.000 TRP 157 1.040 28.078 47.503 -8.974 -99.200 -91.000 TRP6 157 1.020 28.432 45.600 -7.619 -99.200 -91.000 HIS 162 0.900 25.211 36.086 4.246 -99.200 -91.000 PHE 174 1.000 22.355 28.821 3.576 -99.200 -91.000 PHE 185 1.000 21.383 23.084 13.073 -99.200 -91.000 TYR 186 0.840 26.432 26.657 8.547 -99.200 -91.000 TYR 187 0.840 24.574 19.493 4.522 -99.200 -91.000 PHE 202 1.000 44.468 37.032 9.290 -99.200 -91.000 PHE 212 1.000 46.272 37.090 23.507 -99.200 -91.000 TYR 219 0.840 35.022 21.324 20.204 -99.200 -91.000 PHE 224 1.000 32.257 23.667 37.305 -99.200 -91.000 PHE 232 1.000 22.183 31.343 37.661 -99.200 -91.000 PHE 235 1.000 22.556 27.357 32.356 -99.200 -91.000 TYR 240 0.840 21.196 23.992 20.702 -99.200 -91.000 TYR 248 0.840 24.227 22.161 31.032 -99.200 -91.000 HIS 255 0.900 29.983 30.450 28.112 -99.200 -91.000 HIS 261 0.900 43.972 28.474 34.560 -99.200 -91.000 TYR 275 0.840 44.946 30.092 28.960 -99.200 -91.000 PHE 282 1.000 28.015 23.088 18.775 -99.200 -91.000 PHE 297 1.000 24.733 39.028 10.960 -99.200 -91.000 HIS 300 0.900 19.649 26.952 15.629 -99.200 -91.000 PHE 302 1.000 28.943 31.261 16.183 -99.200 -91.000 HIS 303 0.900 33.816 25.746 12.233 -99.200 -91.000 PHE 308 1.000 38.573 33.959 29.673 -99.200 -91.000 TYR 310 0.840 41.930 32.753 33.427 -99.200 -91.000 TRP 317 1.040 39.008 48.992 33.811 -99.200 -91.000 TRP6 317 1.020 37.021 48.617 32.577 -99.200 -91.000 TRP 319 1.040 46.083 42.733 29.672 -99.200 -91.000 TRP6 319 1.020 47.070 41.865 27.712 -99.200 -91.000 HIS 320 0.900 36.861 46.487 27.246 -99.200 -91.000 PHE 331 1.000 36.732 41.295 11.387 -99.200 -91.000 TYR 338 0.840 37.137 48.425 11.894 -99.200 -91.000 TYR 350 0.840 21.475 40.385 33.926 -99.200 -91.000 TYR 356 0.840 35.810 49.704 24.030 -99.200 -91.000 TRP 361 1.040 29.325 49.354 4.140 -99.200 -91.000 TRP6 361 1.020 27.262 50.365 4.695 -99.200 -91.000 PHE 368 1.000 28.940 51.103 9.512 -99.200 -91.000 TRP 380 1.040 28.703 39.377 37.041 -99.200 -91.000 TRP6 380 1.020 27.833 37.502 35.901 -99.200 -91.000 PHE 389 1.000 45.776 38.685 41.819 -99.200 -91.000 TYR 399 0.840 37.037 36.281 44.154 -99.200 -91.000 HIS 401 0.900 39.263 43.304 37.454 -99.200 -91.000 HIS 421 0.900 37.268 42.425 0.250 -99.200 -91.000 TRP 435 1.040 45.541 36.338 -2.054 -99.200 -91.000 TRP6 435 1.020 46.735 37.848 -3.413 -99.200 -91.000 TYR 437 0.840 46.896 32.001 6.880 -99.200 -91.000 PHE 440 1.000 40.128 29.873 -2.216 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zr2B1 MET 1 HA -0.91 0.11 0.26 -0.75 4.52 3.22 2zr2B1 MET 1 HB2 -1.68 0.00 -0.03 -0.04 2.15 0.40 2zr2B1 MET 1 HB3 -0.97 -0.08 -0.10 -0.04 2.03 0.84 2zr2B1 MET 1 HG2 -0.52 0.11 -0.45 -0.04 2.63 1.73 2zr2B1 MET 1 HG3 -0.76 -0.04 -0.27 -0.04 2.56 1.44 2zr2B1 MET 1 HE3 -0.33 -0.01 -0.17 -0.04 2.10 1.55 2zr2B1 LEU 2 H -0.30 0.34 0.17 -0.55 8.37 8.04 2zr2B1 LEU 2 HA -0.13 0.06 0.68 -0.75 4.35 4.21 2zr2B1 LEU 2 HB2 -0.03 0.12 0.12 -0.04 1.64 1.81 2zr2B1 LEU 2 HB3 -0.03 -0.09 -0.09 -0.04 1.64 1.39 2zr2B1 LEU 2 HG 0.01 -0.13 0.01 -0.04 1.64 1.48 2zr2B1 LEU 2 HD13 0.11 0.03 -0.12 -0.04 0.93 0.91 2zr2B1 LEU 2 HD23 0.05 -0.00 -0.09 -0.04 0.89 0.81 2zr2B1 ASP 3 H -0.08 0.12 0.16 -0.55 8.40 8.05 2zr2B1 ASP 3 HA -0.10 0.15 0.55 -0.75 4.63 4.48 2zr2B1 ASP 3 HB2 -0.05 0.17 0.15 -0.04 2.71 2.93 2zr2B1 ASP 3 HB3 -0.01 -0.06 0.20 -0.04 2.70 2.79 2zr2B1 ILE 4 H -0.05 0.26 0.20 -0.55 8.25 8.12 2zr2B1 ILE 4 HA -0.02 0.10 0.33 -0.75 4.18 3.84 2zr2B1 ILE 4 HB -0.08 0.10 0.13 -0.04 1.89 2.00 2zr2B1 ILE 4 HG12 -0.09 0.04 -0.01 -0.04 1.49 1.39 2zr2B1 ILE 4 HG13 0.00 -0.04 -0.14 -0.04 1.21 1.00 2zr2B1 ILE 4 HG23 -0.02 0.01 0.02 -0.04 0.93 0.91 2zr2B1 ILE 4 HD13 -0.03 0.00 0.02 -0.04 0.88 0.84 2zr2B1 LYS 5 H 0.01 0.09 -0.25 -0.55 8.42 7.71 2zr2B1 LYS 5 HA 0.04 0.08 0.39 -0.75 4.32 4.07 2zr2B1 LYS 5 HB2 0.03 -0.02 0.06 -0.04 1.87 1.90 2zr2B1 LYS 5 HB3 0.04 0.04 -0.03 -0.04 1.79 1.80 2zr2B1 LYS 5 HG2 0.05 0.03 0.03 -0.04 1.46 1.53 2zr2B1 LYS 5 HG3 0.05 -0.02 0.02 -0.04 1.46 1.46 2zr2B1 LYS 5 HD2 0.05 0.02 0.01 -0.04 1.69 1.73 2zr2B1 LYS 5 HD3 0.05 0.04 0.02 -0.04 1.68 1.75 2zr2B1 LYS 5 HE2 0.05 0.01 0.03 -0.04 2.99 3.05 2zr2B1 LYS 5 HE3 0.04 -0.10 0.04 -0.04 2.99 2.93 2zr2B1 LEU 6 H 0.01 0.17 -0.30 -0.55 8.37 7.71 2zr2B1 LEU 6 HA 0.02 0.03 0.34 -0.75 4.35 3.99 2zr2B1 LEU 6 HB2 0.01 -0.08 0.14 -0.04 1.64 1.67 2zr2B1 LEU 6 HB3 0.01 0.09 0.02 -0.04 1.64 1.72 2zr2B1 LEU 6 HG 0.03 -0.01 0.02 -0.04 1.64 1.64 2zr2B1 LEU 6 HD13 0.02 0.01 -0.01 -0.04 0.93 0.90 2zr2B1 LEU 6 HD23 0.02 -0.01 -0.06 -0.04 0.89 0.80 2zr2B1 ILE 7 H 0.01 0.37 -0.20 -0.55 8.25 7.89 2zr2B1 ILE 7 HA 0.02 -0.01 0.23 -0.75 4.18 3.66 2zr2B1 ILE 7 HB 0.02 0.11 0.08 -0.04 1.89 2.05 2zr2B1 ILE 7 HG12 0.04 0.00 -0.06 -0.04 1.49 1.43 2zr2B1 ILE 7 HG13 0.03 -0.04 -0.04 -0.04 1.21 1.11 2zr2B1 ILE 7 HG23 0.03 -0.02 -0.13 -0.04 0.93 0.77 2zr2B1 ILE 7 HD13 0.01 -0.04 -0.18 -0.04 0.88 0.63 2zr2B1 ARG 8 H 0.03 0.39 -0.23 -0.55 8.46 8.09 2zr2B1 ARG 8 HA 0.03 0.03 0.46 -0.75 4.34 4.11 2zr2B1 ARG 8 HB2 0.04 0.00 0.21 -0.04 1.90 2.11 2zr2B1 ARG 8 HB3 0.04 -0.02 0.01 -0.04 1.80 1.79 2zr2B1 ARG 8 HG2 0.05 -0.02 0.01 -0.04 1.67 1.67 2zr2B1 ARG 8 HG3 0.04 0.15 0.05 -0.04 1.67 1.87 2zr2B1 ARG 8 HD2 0.06 -0.05 -0.04 -0.04 3.22 3.15 2zr2B1 ARG 8 HD3 0.07 -0.01 -0.02 -0.04 3.22 3.22 2zr2B1 GLU 9 H 0.03 0.44 0.07 -0.55 8.60 8.60 2zr2B1 GLU 9 HA 0.02 0.01 0.40 -0.75 4.29 3.97 2zr2B1 GLU 9 HB2 0.02 0.03 0.05 -0.04 2.09 2.14 2zr2B1 GLU 9 HB3 0.02 -0.06 0.09 -0.04 1.99 2.01 2zr2B1 GLU 9 HG2 0.03 -0.05 0.07 -0.04 2.34 2.34 2zr2B1 GLU 9 HG3 0.03 0.16 0.20 -0.04 2.34 2.69 2zr2B1 ASN 10 H 0.02 0.52 -0.37 -0.55 8.53 8.16 2zr2B1 ASN 10 HA 0.01 0.15 0.90 -0.75 4.76 5.07 2zr2B1 ASN 10 HB2 0.02 0.10 0.07 -0.04 2.88 3.03 2zr2B1 ASN 10 HB3 0.01 -0.21 0.23 -0.04 2.79 2.78 2zr2B1 ASN 10 HD21 0.02 -0.00 -0.11 -0.04 7.03 6.90 2zr2B1 ASN 10 HD22 0.02 -0.03 -0.21 -0.04 7.74 7.49 2zr2B1 PRO 11 HA 0.01 0.01 0.41 -0.51 4.44 4.36 2zr2B1 PRO 11 HB2 0.01 -0.07 0.00 -0.04 2.28 2.18 2zr2B1 PRO 11 HB3 0.02 0.20 0.17 -0.04 2.02 2.37 2zr2B1 PRO 11 HG2 0.01 -0.16 0.08 -0.04 2.03 1.92 2zr2B1 PRO 11 HG3 0.02 0.07 0.09 -0.04 2.03 2.17 2zr2B1 PRO 11 HD2 0.01 0.11 -0.13 -0.04 3.68 3.64 2zr2B1 PRO 11 HD3 0.02 0.60 0.01 -0.04 3.65 4.24 2zr2B1 GLU 12 H 0.00 0.18 -0.22 -0.55 8.60 8.02 2zr2B1 GLU 12 HA -0.00 0.04 0.38 -0.75 4.29 3.95 2zr2B1 GLU 12 HB2 0.00 0.03 0.10 -0.04 2.09 2.18 2zr2B1 GLU 12 HB3 -0.00 0.05 -0.02 -0.04 1.99 1.97 2zr2B1 GLU 12 HG2 -0.00 0.03 0.02 -0.04 2.34 2.34 2zr2B1 GLU 12 HG3 -0.01 0.00 0.01 -0.04 2.34 2.31 2zr2B1 LEU 13 H -0.00 0.23 -0.20 -0.55 8.37 7.85 2zr2B1 LEU 13 HA -0.01 0.02 0.37 -0.75 4.35 3.98 2zr2B1 LEU 13 HB2 -0.00 -0.04 0.13 -0.04 1.64 1.69 2zr2B1 LEU 13 HB3 0.00 0.18 0.16 -0.04 1.64 1.94 2zr2B1 LEU 13 HG -0.01 -0.02 0.00 -0.04 1.64 1.57 2zr2B1 LEU 13 HD13 -0.00 -0.00 0.01 -0.04 0.93 0.90 2zr2B1 LEU 13 HD23 0.00 0.00 -0.15 -0.04 0.89 0.71 2zr2B1 VAL 14 H 0.00 0.36 -0.12 -0.55 8.24 7.93 2zr2B1 VAL 14 HA -0.01 0.06 0.45 -0.75 4.13 3.87 2zr2B1 VAL 14 HB 0.01 0.02 0.01 -0.04 2.12 2.12 2zr2B1 VAL 14 HG13 0.01 0.01 -0.06 -0.04 0.97 0.89 2zr2B1 VAL 14 HG23 0.01 -0.00 -0.15 -0.04 0.95 0.77 2zr2B1 LYS 15 H -0.01 0.62 -0.07 -0.55 8.42 8.40 2zr2B1 LYS 15 HA -0.03 -0.01 0.41 -0.75 4.32 3.94 2zr2B1 LYS 15 HB2 -0.01 0.10 0.20 -0.04 1.87 2.12 2zr2B1 LYS 15 HB3 -0.02 -0.06 0.01 -0.04 1.79 1.68 2zr2B1 LYS 15 HG2 -0.01 0.02 0.09 -0.04 1.46 1.52 2zr2B1 LYS 15 HG3 -0.00 0.09 0.08 -0.04 1.46 1.59 2zr2B1 LYS 15 HD2 -0.00 -0.03 -0.10 -0.04 1.69 1.52 2zr2B1 LYS 15 HD3 -0.01 -0.02 -0.02 -0.04 1.68 1.59 2zr2B1 LYS 15 HE2 0.01 0.01 0.00 -0.04 2.99 2.96 2zr2B1 LYS 15 HE3 0.01 -0.00 -0.08 -0.04 2.99 2.88 2zr2B1 ASN 16 H -0.02 0.72 -0.08 -0.55 8.53 8.60 2zr2B1 ASN 16 HA -0.03 -0.04 0.41 -0.75 4.76 4.35 2zr2B1 ASN 16 HB2 -0.03 0.17 0.16 -0.04 2.88 3.14 2zr2B1 ASN 16 HB3 -0.03 -0.04 0.03 -0.04 2.79 2.71 2zr2B1 ASN 16 HD21 -0.02 -0.08 -0.03 -0.04 7.03 6.87 2zr2B1 ASN 16 HD22 -0.02 -0.01 -0.08 -0.04 7.74 7.59 2zr2B1 ASP 17 H -0.03 0.45 -0.19 -0.55 8.40 8.08 2zr2B1 ASP 17 HA -0.05 0.04 0.43 -0.75 4.63 4.30 2zr2B1 ASP 17 HB2 -0.03 0.06 0.12 -0.04 2.71 2.82 2zr2B1 ASP 17 HB3 -0.04 0.08 0.09 -0.04 2.70 2.79 2zr2B1 LEU 18 H -0.06 0.64 -0.15 -0.55 8.37 8.25 2zr2B1 LEU 18 HA -0.11 0.05 0.40 -0.75 4.35 3.94 2zr2B1 LEU 18 HB2 -0.07 0.20 0.22 -0.04 1.64 1.94 2zr2B1 LEU 18 HB3 -0.12 -0.09 -0.09 -0.04 1.64 1.30 2zr2B1 LEU 18 HG -0.07 0.13 0.02 -0.04 1.64 1.68 2zr2B1 LEU 18 HD13 -0.07 -0.05 -0.22 -0.04 0.93 0.55 2zr2B1 LEU 18 HD23 -0.15 -0.01 -0.01 -0.04 0.89 0.68 2zr2B1 ILE 19 H -0.06 0.74 -0.03 -0.55 8.25 8.36 2zr2B1 ILE 19 HA -0.06 -0.06 0.32 -0.75 4.18 3.63 2zr2B1 ILE 19 HB -0.04 0.11 0.12 -0.04 1.89 2.04 2zr2B1 ILE 19 HG12 -0.04 -0.06 -0.01 -0.04 1.49 1.34 2zr2B1 ILE 19 HG13 -0.05 0.13 0.02 -0.04 1.21 1.27 2zr2B1 ILE 19 HG23 -0.03 -0.01 -0.08 -0.04 0.93 0.76 2zr2B1 ILE 19 HD13 -0.03 -0.02 -0.10 -0.04 0.88 0.68 2zr2B1 LYS 20 H -0.05 0.67 -0.22 -0.55 8.42 8.26 2zr2B1 LYS 20 HA -0.04 -0.03 0.41 -0.75 4.32 3.91 2zr2B1 LYS 20 HB2 -0.04 -0.01 0.14 -0.04 1.87 1.91 2zr2B1 LYS 20 HB3 -0.05 0.15 0.21 -0.04 1.79 2.05 2zr2B1 LYS 20 HG2 -0.05 -0.02 -0.13 -0.04 1.46 1.23 2zr2B1 LYS 20 HG3 -0.04 -0.09 0.07 -0.04 1.46 1.36 2zr2B1 LYS 20 HD2 -0.05 -0.05 -0.01 -0.04 1.69 1.54 2zr2B1 LYS 20 HD3 -0.05 -0.01 -0.02 -0.04 1.68 1.56 2zr2B1 LYS 20 HE2 -0.05 -0.03 -0.09 -0.04 2.99 2.78 2zr2B1 LYS 20 HE3 -0.04 -0.02 -0.01 -0.04 2.99 2.88 2zr2B1 ARG 21 H -0.07 0.39 -0.38 -0.55 8.46 7.84 2zr2B1 ARG 21 HA -0.07 0.01 0.49 -0.75 4.34 4.02 2zr2B1 ARG 21 HB2 -0.12 0.05 0.20 -0.04 1.90 1.99 2zr2B1 ARG 21 HB3 -0.13 -0.10 0.04 -0.04 1.80 1.57 2zr2B1 ARG 21 HG2 -0.14 0.03 0.06 -0.04 1.67 1.58 2zr2B1 ARG 21 HG3 -0.10 -0.02 0.01 -0.04 1.67 1.51 2zr2B1 ARG 21 HD2 -0.14 -0.03 -0.14 -0.04 3.22 2.87 2zr2B1 ARG 21 HD3 -0.25 -0.10 -0.02 -0.04 3.22 2.81 2zr2B1 GLY 22 H -0.06 0.34 -0.68 -0.55 8.43 7.47 2zr2B1 GLY 22 HA2 -0.05 0.03 0.36 -0.51 4.01 3.84 2zr2B1 GLY 22 HA3 -0.04 0.04 0.43 -0.51 4.01 3.93 2zr2B1 GLU 23 H -0.09 0.71 -0.19 -0.55 8.60 8.48 2zr2B1 GLU 23 HA -0.08 0.13 0.64 -0.75 4.29 4.22 2zr2B1 GLU 23 HB2 -0.14 0.14 0.04 -0.04 2.09 2.09 2zr2B1 GLU 23 HB3 -0.17 -0.11 0.18 -0.04 1.99 1.84 2zr2B1 GLU 23 HG2 -0.19 0.05 0.09 -0.04 2.34 2.24 2zr2B1 GLU 23 HG3 -0.16 -0.19 0.13 -0.04 2.34 2.08 2zr2B1 LEU 24 H -0.06 0.47 -0.80 -0.55 8.37 7.43 2zr2B1 LEU 24 HA -0.07 0.03 0.20 -0.75 4.35 3.75 2zr2B1 LEU 24 HB2 -0.04 0.08 0.05 -0.04 1.64 1.69 2zr2B1 LEU 24 HB3 -0.04 -0.00 -0.05 -0.04 1.64 1.51 2zr2B1 LEU 24 HG -0.03 0.01 0.02 -0.04 1.64 1.60 2zr2B1 LEU 24 HD13 -0.04 -0.01 0.02 -0.04 0.93 0.86 2zr2B1 LEU 24 HD23 -0.04 0.01 0.00 -0.04 0.89 0.82 2zr2B1 GLU 25 H -0.10 0.09 -0.44 -0.55 8.60 7.61 2zr2B1 GLU 25 HA -0.06 0.12 0.56 -0.75 4.29 4.16 2zr2B1 GLU 25 HB2 -0.13 -0.01 0.09 -0.04 2.09 2.00 2zr2B1 GLU 25 HB3 -0.03 0.02 0.01 -0.04 1.99 1.94 2zr2B1 GLU 25 HG2 -0.00 0.02 0.00 -0.04 2.34 2.32 2zr2B1 GLU 25 HG3 -0.03 -0.04 0.00 -0.04 2.34 2.23 2zr2B1 LYS 26 H -0.36 0.20 0.02 -0.55 8.42 7.73 2zr2B1 LYS 26 HA -1.40 0.02 0.40 -0.75 4.32 2.59 2zr2B1 LYS 26 HB2 -0.50 0.12 0.13 -0.04 1.87 1.58 2zr2B1 LYS 26 HB3 -0.92 0.00 0.07 -0.04 1.79 0.90 2zr2B1 LYS 26 HG2 -2.73 0.02 0.05 -0.04 1.46 -1.25 2zr2B1 LYS 26 HG3 -0.75 -0.11 0.07 -0.04 1.46 0.63 2zr2B1 LYS 26 HD2 -0.30 -0.01 0.10 -0.04 1.69 1.44 2zr2B1 LYS 26 HD3 -0.41 0.15 0.09 -0.04 1.68 1.48 2zr2B1 LYS 26 HE2 -0.09 -0.09 0.06 -0.04 2.99 2.82 2zr2B1 LYS 26 HE3 0.22 0.02 0.08 -0.04 2.99 3.27 2zr2B1 VAL 27 H -0.20 0.31 -0.53 -0.55 8.24 7.27 2zr2B1 VAL 27 HA -0.09 0.02 0.31 -0.75 4.13 3.61 2zr2B1 VAL 27 HB -0.06 0.08 -0.03 -0.04 2.12 2.07 2zr2B1 VAL 27 HG13 -0.04 -0.02 0.02 -0.04 0.97 0.90 2zr2B1 VAL 27 HG23 -0.09 0.01 -0.13 -0.04 0.95 0.70 2zr2B1 LYS 28 H -0.07 0.45 -0.32 -0.55 8.42 7.92 2zr2B1 LYS 28 HA 0.03 0.01 0.41 -0.75 4.32 4.02 2zr2B1 LYS 28 HB2 0.14 0.07 0.06 -0.04 1.87 2.10 2zr2B1 LYS 28 HB3 0.08 -0.06 0.06 -0.04 1.79 1.84 2zr2B1 LYS 28 HG2 0.03 -0.05 0.05 -0.04 1.46 1.45 2zr2B1 LYS 28 HG3 -0.00 0.00 0.09 -0.04 1.46 1.51 2zr2B1 LYS 28 HD2 0.05 0.18 0.13 -0.04 1.69 2.01 2zr2B1 LYS 28 HD3 0.07 -0.07 0.04 -0.04 1.68 1.68 2zr2B1 LYS 28 HE2 0.02 -0.05 0.03 -0.04 2.99 2.96 2zr2B1 LYS 28 HE3 -0.00 0.08 0.09 -0.04 2.99 3.12 2zr2B1 TRP 29 H 0.07 0.49 -0.21 -0.55 7.97 7.77 2zr2B1 TRP 29 HA -0.38 -0.04 0.36 -0.75 4.62 3.80 2zr2B1 TRP 29 HB2 -0.11 0.21 0.11 -0.04 3.23 3.41 2zr2B1 TRP 29 HB3 -0.34 -0.07 -0.01 -0.04 3.23 2.77 2zr2B1 TRP 29 HD1 -0.15 -0.10 -0.05 -0.04 7.22 6.88 2zr2B1 TRP 29 HE1 0.18 -0.01 -0.05 -0.04 10.20 10.28 2zr2B1 TRP 29 HE3 0.12 0.01 -0.06 -0.04 7.59 7.63 2zr2B1 TRP 29 HZ2 0.29 -0.03 -0.02 -0.04 7.44 7.65 2zr2B1 TRP 29 HZ3 0.19 0.07 -0.22 -0.04 7.13 7.12 2zr2B1 TRP 29 HH2 0.20 0.02 0.02 -0.04 7.19 7.39 2zr2B1 VAL 30 H 0.08 0.38 -0.29 -0.55 8.24 7.86 2zr2B1 VAL 30 HA 0.06 0.02 0.33 -0.75 4.13 3.79 2zr2B1 VAL 30 HB 0.02 0.08 0.14 -0.04 2.12 2.32 2zr2B1 VAL 30 HG13 0.02 0.01 -0.03 -0.04 0.97 0.93 2zr2B1 VAL 30 HG23 0.02 0.00 0.00 -0.04 0.95 0.93 2zr2B1 ASP 31 H 0.03 0.29 -0.14 -0.55 8.40 8.04 2zr2B1 ASP 31 HA 0.02 0.04 0.44 -0.75 4.63 4.37 2zr2B1 ASP 31 HB2 0.02 0.11 0.13 -0.04 2.71 2.93 2zr2B1 ASP 31 HB3 0.02 -0.03 0.06 -0.04 2.70 2.71 2zr2B1 GLU 32 H 0.00 0.47 -0.11 -0.55 8.60 8.42 2zr2B1 GLU 32 HA 0.01 -0.01 0.41 -0.75 4.29 3.94 2zr2B1 GLU 32 HB2 -0.04 0.08 0.08 -0.04 2.09 2.16 2zr2B1 GLU 32 HB3 -0.28 0.05 0.16 -0.04 1.99 1.89 2zr2B1 GLU 32 HG2 -0.04 0.01 -0.03 -0.04 2.34 2.24 2zr2B1 GLU 32 HG3 0.02 -0.02 -0.12 -0.04 2.34 2.18 2zr2B1 ILE 33 H -0.07 0.85 0.05 -0.55 8.25 8.53 2zr2B1 ILE 33 HA 0.04 -0.03 0.38 -0.75 4.18 3.82 2zr2B1 ILE 33 HB 0.02 0.14 0.09 -0.04 1.89 2.11 2zr2B1 ILE 33 HG12 0.11 -0.02 0.09 -0.04 1.49 1.62 2zr2B1 ILE 33 HG13 -0.16 0.10 0.11 -0.04 1.21 1.22 2zr2B1 ILE 33 HG23 0.02 -0.03 -0.07 -0.04 0.93 0.82 2zr2B1 ILE 33 HD13 0.13 -0.02 -0.14 -0.04 0.88 0.80 2zr2B1 LEU 34 H 0.02 0.50 -0.32 -0.55 8.37 8.03 2zr2B1 LEU 34 HA 0.04 -0.02 0.43 -0.75 4.35 4.05 2zr2B1 LEU 34 HB2 0.03 0.17 0.25 -0.04 1.64 2.05 2zr2B1 LEU 34 HB3 0.03 -0.07 0.02 -0.04 1.64 1.58 2zr2B1 LEU 34 HG 0.03 0.02 0.02 -0.04 1.64 1.67 2zr2B1 LEU 34 HD13 0.02 -0.01 -0.05 -0.04 0.93 0.85 2zr2B1 LEU 34 HD23 0.03 0.01 0.01 -0.04 0.89 0.91 2zr2B1 LYS 35 H 0.03 0.68 0.01 -0.55 8.42 8.58 2zr2B1 LYS 35 HA 0.05 -0.03 0.41 -0.75 4.32 4.00 2zr2B1 LYS 35 HB2 0.03 0.01 0.14 -0.04 1.87 2.01 2zr2B1 LYS 35 HB3 0.03 0.15 0.24 -0.04 1.79 2.18 2zr2B1 LYS 35 HG2 0.04 -0.03 -0.21 -0.04 1.46 1.22 2zr2B1 LYS 35 HG3 0.04 -0.04 0.05 -0.04 1.46 1.46 2zr2B1 LYS 35 HD2 0.03 -0.01 -0.00 -0.04 1.69 1.66 2zr2B1 LYS 35 HD3 0.03 0.02 -0.00 -0.04 1.68 1.69 2zr2B1 LYS 35 HE2 0.03 -0.02 -0.01 -0.04 2.99 2.95 2zr2B1 LYS 35 HE3 0.03 -0.01 -0.02 -0.04 2.99 2.96 2zr2B1 LEU 36 H 0.05 0.63 -0.07 -0.55 8.37 8.44 2zr2B1 LEU 36 HA 0.08 0.02 0.58 -0.75 4.35 4.29 2zr2B1 LEU 36 HB2 0.06 0.09 0.14 -0.04 1.64 1.89 2zr2B1 LEU 36 HB3 0.06 -0.05 0.05 -0.04 1.64 1.67 2zr2B1 LEU 36 HG 0.06 0.08 0.02 -0.04 1.64 1.76 2zr2B1 LEU 36 HD13 0.12 -0.02 -0.14 -0.04 0.93 0.86 2zr2B1 LEU 36 HD23 0.05 -0.01 0.01 -0.04 0.89 0.90 2zr2B1 ASP 37 H 0.07 0.81 -0.01 -0.55 8.40 8.72 2zr2B1 ASP 37 HA 0.17 -0.03 0.38 -0.75 4.63 4.40 2zr2B1 ASP 37 HB2 0.02 0.05 0.14 -0.04 2.71 2.88 2zr2B1 ASP 37 HB3 0.08 0.14 0.18 -0.04 2.70 3.07 2zr2B1 THR 38 H 0.11 0.47 -0.32 -0.55 8.28 7.99 2zr2B1 THR 38 HA 0.12 0.04 0.50 -0.75 4.39 4.29 2zr2B1 THR 38 HB 0.06 -0.01 -0.04 -0.04 4.32 4.29 2zr2B1 THR 38 HG23 0.05 -0.02 0.03 -0.04 1.22 1.25 2zr2B1 GLU 39 H 0.11 0.40 -0.12 -0.55 8.60 8.45 2zr2B1 GLU 39 HA 0.06 -0.00 0.49 -0.75 4.29 4.09 2zr2B1 GLU 39 HB2 0.07 0.08 0.21 -0.04 2.09 2.41 2zr2B1 GLU 39 HB3 0.12 0.15 0.28 -0.04 1.99 2.50 2zr2B1 GLU 39 HG2 0.08 -0.02 -0.12 -0.04 2.34 2.24 2zr2B1 GLU 39 HG3 0.05 -0.05 0.07 -0.04 2.34 2.36 2zr2B1 TRP 40 H 0.30 0.82 0.01 -0.55 7.97 8.55 2zr2B1 TRP 40 HA 0.01 -0.02 0.34 -0.75 4.62 4.20 2zr2B1 TRP 40 HB2 0.02 0.01 0.05 -0.04 3.23 3.27 2zr2B1 TRP 40 HB3 0.02 0.11 0.14 -0.04 3.23 3.45 2zr2B1 TRP 40 HD1 0.01 0.05 0.10 -0.04 7.22 7.34 2zr2B1 TRP 40 HE1 0.02 -0.00 -0.05 -0.04 10.20 10.13 2zr2B1 TRP 40 HE3 0.02 0.18 -0.02 -0.04 7.59 7.73 2zr2B1 TRP 40 HZ2 0.02 0.01 -0.03 -0.04 7.44 7.40 2zr2B1 TRP 40 HZ3 0.02 -0.01 -0.02 -0.04 7.13 7.08 2zr2B1 TRP 40 HH2 0.02 -0.00 -0.02 -0.04 7.19 7.15 2zr2B1 ARG 41 H 0.27 0.55 -0.28 -0.55 8.46 8.44 2zr2B1 ARG 41 HA -0.45 0.01 0.47 -0.75 4.34 3.62 2zr2B1 ARG 41 HB2 0.12 0.09 0.24 -0.04 1.90 2.31 2zr2B1 ARG 41 HB3 0.01 -0.07 0.03 -0.04 1.80 1.72 2zr2B1 ARG 41 HG2 0.11 -0.07 0.05 -0.04 1.67 1.73 2zr2B1 ARG 41 HG3 0.58 0.16 0.09 -0.04 1.67 2.47 2zr2B1 ARG 41 HD2 0.11 -0.04 0.01 -0.04 3.22 3.25 2zr2B1 ARG 41 HD3 0.25 -0.04 -0.01 -0.04 3.22 3.38 2zr2B1 THR 42 H -0.00 0.60 -0.17 -0.55 8.28 8.16 2zr2B1 THR 42 HA -0.05 0.01 0.51 -0.75 4.39 4.11 2zr2B1 THR 42 HB -0.00 0.08 0.27 -0.04 4.32 4.63 2zr2B1 THR 42 HG23 -0.01 -0.03 -0.07 -0.04 1.22 1.07 2zr2B1 LYS 43 H -0.06 0.76 0.06 -0.55 8.42 8.63 2zr2B1 LYS 43 HA -0.06 -0.04 0.39 -0.75 4.32 3.86 2zr2B1 LYS 43 HB2 -0.09 0.11 0.03 -0.04 1.87 1.87 2zr2B1 LYS 43 HB3 -0.05 -0.07 0.06 -0.04 1.79 1.69 2zr2B1 LYS 43 HG2 -0.01 -0.10 0.08 -0.04 1.46 1.39 2zr2B1 LYS 43 HG3 0.01 0.40 0.04 -0.04 1.46 1.87 2zr2B1 LYS 43 HD2 0.03 -0.00 -0.08 -0.04 1.69 1.59 2zr2B1 LYS 43 HD3 0.00 -0.05 0.02 -0.04 1.68 1.61 2zr2B1 LYS 43 HE2 0.02 -0.02 0.01 -0.04 2.99 2.96 2zr2B1 LYS 43 HE3 0.04 -0.00 -0.04 -0.04 2.99 2.95 2zr2B1 LEU 44 H -0.28 0.38 -0.58 -0.55 8.37 7.35 2zr2B1 LEU 44 HA -0.23 -0.00 0.42 -0.75 4.35 3.78 2zr2B1 LEU 44 HB2 -0.55 0.20 0.19 -0.04 1.64 1.43 2zr2B1 LEU 44 HB3 -0.33 -0.01 -0.03 -0.04 1.64 1.23 2zr2B1 LEU 44 HG -0.40 -0.04 0.02 -0.04 1.64 1.17 2zr2B1 LEU 44 HD13 -0.34 -0.02 0.01 -0.04 0.93 0.54 2zr2B1 LEU 44 HD23 -1.70 0.05 -0.03 -0.04 0.89 -0.83 2zr2B1 LYS 45 H -0.14 0.46 -0.10 -0.55 8.42 8.08 2zr2B1 LYS 45 HA -0.08 -0.00 0.47 -0.75 4.32 3.95 2zr2B1 LYS 45 HB2 -0.07 0.06 0.20 -0.04 1.87 2.01 2zr2B1 LYS 45 HB3 -0.06 0.20 0.30 -0.04 1.79 2.18 2zr2B1 LYS 45 HG2 -0.03 -0.01 -0.02 -0.04 1.46 1.36 2zr2B1 LYS 45 HG3 -0.04 -0.09 -0.04 -0.04 1.46 1.25 2zr2B1 LYS 45 HD2 -0.04 -0.02 0.04 -0.04 1.69 1.63 2zr2B1 LYS 45 HD3 -0.04 0.03 0.04 -0.04 1.68 1.67 2zr2B1 LYS 45 HE2 -0.03 -0.03 -0.00 -0.04 2.99 2.89 2zr2B1 LYS 45 HE3 -0.02 0.00 0.01 -0.04 2.99 2.93 2zr2B1 GLU 46 H -0.07 0.70 0.01 -0.55 8.60 8.71 2zr2B1 GLU 46 HA -0.03 -0.02 0.37 -0.75 4.29 3.86 2zr2B1 GLU 46 HB2 -0.05 0.06 0.18 -0.04 2.09 2.24 2zr2B1 GLU 46 HB3 -0.03 0.03 -0.00 -0.04 1.99 1.94 2zr2B1 GLU 46 HG2 -0.02 0.00 0.01 -0.04 2.34 2.29 2zr2B1 GLU 46 HG3 -0.02 -0.00 -0.01 -0.04 2.34 2.27 2zr2B1 ILE 47 H -0.07 0.70 -0.17 -0.55 8.25 8.17 2zr2B1 ILE 47 HA -0.03 -0.05 0.43 -0.75 4.18 3.78 2zr2B1 ILE 47 HB -0.08 0.19 0.18 -0.04 1.89 2.14 2zr2B1 ILE 47 HG12 -0.04 -0.09 0.09 -0.04 1.49 1.41 2zr2B1 ILE 47 HG13 -0.06 0.37 0.13 -0.04 1.21 1.61 2zr2B1 ILE 47 HG23 -0.03 -0.03 -0.08 -0.04 0.93 0.75 2zr2B1 ILE 47 HD13 -0.06 -0.03 -0.11 -0.04 0.88 0.64 2zr2B1 ASN 48 H -0.06 0.50 -0.16 -0.55 8.53 8.27 2zr2B1 ASN 48 HA -0.02 0.00 0.53 -0.75 4.76 4.52 2zr2B1 ASN 48 HB2 -0.05 0.15 0.23 -0.04 2.88 3.17 2zr2B1 ASN 48 HB3 -0.05 -0.07 0.04 -0.04 2.79 2.67 2zr2B1 ASN 48 HD21 -0.05 -0.00 0.02 -0.04 7.03 6.96 2zr2B1 ASN 48 HD22 -0.05 -0.03 0.03 -0.04 7.74 7.65 2zr2B1 ARG 49 H -0.02 0.68 -0.03 -0.55 8.46 8.54 2zr2B1 ARG 49 HA 0.02 -0.02 0.39 -0.75 4.34 3.98 2zr2B1 ARG 49 HB2 -0.01 0.11 0.13 -0.04 1.90 2.08 2zr2B1 ARG 49 HB3 -0.01 0.09 0.17 -0.04 1.80 2.01 2zr2B1 ARG 49 HG2 0.02 -0.06 -0.00 -0.04 1.67 1.59 2zr2B1 ARG 49 HG3 0.00 -0.01 0.02 -0.04 1.67 1.64 2zr2B1 ARG 49 HD2 0.00 -0.02 -0.02 -0.04 3.22 3.14 2zr2B1 ARG 49 HD3 -0.01 0.00 -0.01 -0.04 3.22 3.17 2zr2B1 LEU 50 H -0.00 0.76 -0.04 -0.55 8.37 8.55 2zr2B1 LEU 50 HA 0.01 -0.03 0.40 -0.75 4.35 3.97 2zr2B1 LEU 50 HB2 -0.01 0.13 0.16 -0.04 1.64 1.88 2zr2B1 LEU 50 HB3 -0.00 -0.06 -0.01 -0.04 1.64 1.53 2zr2B1 LEU 50 HG -0.01 0.06 0.05 -0.04 1.64 1.71 2zr2B1 LEU 50 HD13 -0.01 -0.02 -0.13 -0.04 0.93 0.73 2zr2B1 LEU 50 HD23 -0.00 -0.02 0.02 -0.04 0.89 0.84 2zr2B1 ARG 51 H 0.01 0.61 -0.13 -0.55 8.46 8.40 2zr2B1 ARG 51 HA 0.01 -0.01 0.46 -0.75 4.34 4.04 2zr2B1 ARG 51 HB2 0.02 0.13 0.25 -0.04 1.90 2.26 2zr2B1 ARG 51 HB3 0.03 -0.06 0.04 -0.04 1.80 1.77 2zr2B1 ARG 51 HG2 0.00 -0.07 0.06 -0.04 1.67 1.63 2zr2B1 ARG 51 HG3 -0.00 0.10 0.11 -0.04 1.67 1.83 2zr2B1 ARG 51 HD2 -0.01 0.02 -0.01 -0.04 3.22 3.18 2zr2B1 ARG 51 HD3 0.00 -0.03 0.02 -0.04 3.22 3.16 2zr2B1 HIS 52 H 0.11 0.67 -0.04 -0.55 8.41 8.61 2zr2B1 HIS 52 HA -0.01 -0.02 0.44 -0.75 4.63 4.29 2zr2B1 HIS 52 HB2 -0.02 0.10 0.16 -0.04 3.26 3.47 2zr2B1 HIS 52 HB3 -0.01 0.09 0.10 -0.04 3.20 3.33 2zr2B1 HIS 52 HD2 -0.01 0.01 -0.02 -0.04 6.97 6.90 2zr2B1 HIS 52 HE1 -0.01 0.00 0.02 -0.04 7.75 7.72 2zr2B1 GLU 53 H 0.04 0.58 -0.19 -0.55 8.60 8.49 2zr2B1 GLU 53 HA -0.04 -0.02 0.45 -0.75 4.29 3.93 2zr2B1 GLU 53 HB2 0.01 0.02 0.07 -0.04 2.09 2.15 2zr2B1 GLU 53 HB3 0.00 0.11 0.17 -0.04 1.99 2.24 2zr2B1 GLU 53 HG2 -0.01 -0.03 -0.22 -0.04 2.34 2.04 2zr2B1 GLU 53 HG3 -0.01 -0.05 0.02 -0.04 2.34 2.26 2zr2B1 ARG 54 H -0.01 0.59 -0.21 -0.55 8.46 8.27 2zr2B1 ARG 54 HA -0.02 -0.02 0.44 -0.75 4.34 3.99 2zr2B1 ARG 54 HB2 -0.01 0.03 0.13 -0.04 1.90 2.02 2zr2B1 ARG 54 HB3 -0.01 0.22 0.21 -0.04 1.80 2.19 2zr2B1 ARG 54 HG2 -0.02 -0.06 -0.06 -0.04 1.67 1.49 2zr2B1 ARG 54 HG3 -0.01 -0.03 0.08 -0.04 1.67 1.67 2zr2B1 ARG 54 HD2 -0.01 -0.02 0.00 -0.04 3.22 3.15 2zr2B1 ARG 54 HD3 -0.01 -0.01 -0.00 -0.04 3.22 3.16 2zr2B1 ASN 55 H -0.07 0.44 -0.18 -0.55 8.53 8.18 2zr2B1 ASN 55 HA -0.04 0.06 0.56 -0.75 4.76 4.58 2zr2B1 ASN 55 HB2 -0.17 0.11 0.18 -0.04 2.88 2.95 2zr2B1 ASN 55 HB3 -0.07 -0.04 0.06 -0.04 2.79 2.70 2zr2B1 ASN 55 HD21 0.05 -0.02 -0.05 -0.04 7.03 6.96 2zr2B1 ASN 55 HD22 0.02 -0.02 0.05 -0.04 7.74 7.75 2zr2B1 LYS 56 H -0.17 0.57 0.03 -0.55 8.42 8.30 2zr2B1 LYS 56 HA -0.10 0.01 0.43 -0.75 4.32 3.91 2zr2B1 LYS 56 HB2 -0.20 0.08 0.17 -0.04 1.87 1.88 2zr2B1 LYS 56 HB3 -0.09 0.12 0.11 -0.04 1.79 1.89 2zr2B1 LYS 56 HG2 -0.05 -0.04 0.01 -0.04 1.46 1.34 2zr2B1 LYS 56 HG3 -0.07 -0.02 0.08 -0.04 1.46 1.41 2zr2B1 LYS 56 HD2 -0.06 0.01 0.01 -0.04 1.69 1.62 2zr2B1 LYS 56 HD3 -0.04 0.02 0.00 -0.04 1.68 1.62 2zr2B1 LYS 56 HE2 -0.02 -0.02 -0.01 -0.04 2.99 2.90 2zr2B1 LYS 56 HE3 -0.02 -0.01 0.01 -0.04 2.99 2.93 2zr2B1 ILE 57 H -0.05 0.32 -0.70 -0.55 8.25 7.27 2zr2B1 ILE 57 HA -0.03 0.05 0.67 -0.75 4.18 4.12 2zr2B1 ILE 57 HB -0.03 0.17 0.09 -0.04 1.89 2.08 2zr2B1 ILE 57 HG12 -0.02 -0.09 -0.02 -0.04 1.49 1.32 2zr2B1 ILE 57 HG13 -0.03 0.39 0.07 -0.04 1.21 1.60 2zr2B1 ILE 57 HG23 -0.02 -0.04 0.05 -0.04 0.93 0.88 2zr2B1 ILE 57 HD13 -0.02 -0.04 -0.06 -0.04 0.88 0.73 2zr2B1 ALA 58 H -0.04 0.37 -0.17 -0.55 8.40 8.02 2zr2B1 ALA 58 HA -0.02 0.04 0.64 -0.75 4.34 4.24 2zr2B1 ALA 58 HB3 -0.02 0.05 0.19 -0.04 1.41 1.58 2zr2B1 VAL 59 H -0.03 0.58 0.05 -0.55 8.24 8.28 2zr2B1 VAL 59 HA -0.02 0.09 0.48 -0.75 4.13 3.93 2zr2B1 VAL 59 HB -0.03 0.03 0.09 -0.04 2.12 2.16 2zr2B1 VAL 59 HG13 -0.04 0.01 -0.01 -0.04 0.97 0.90 2zr2B1 VAL 59 HG23 -0.02 -0.01 0.01 -0.04 0.95 0.89 2zr2B1 GLU 60 H -0.03 0.21 -0.44 -0.55 8.60 7.80 2zr2B1 GLU 60 HA -0.02 0.11 0.63 -0.75 4.29 4.27 2zr2B1 GLU 60 HB2 -0.02 0.17 0.24 -0.04 2.09 2.44 2zr2B1 GLU 60 HB3 -0.02 -0.06 -0.03 -0.04 1.99 1.85 2zr2B1 GLU 60 HG2 -0.02 0.06 0.05 -0.04 2.34 2.39 2zr2B1 GLU 60 HG3 -0.02 -0.00 0.04 -0.04 2.34 2.32 2zr2B1 ILE 61 H -0.02 0.50 -0.14 -0.55 8.25 8.04 2zr2B1 ILE 61 HA -0.01 -0.02 0.49 -0.75 4.18 3.88 2zr2B1 ILE 61 HB -0.01 0.14 0.13 -0.04 1.89 2.10 2zr2B1 ILE 61 HG12 -0.01 -0.16 0.09 -0.04 1.49 1.36 2zr2B1 ILE 61 HG13 -0.01 0.40 0.19 -0.04 1.21 1.74 2zr2B1 ILE 61 HG23 -0.01 -0.02 -0.02 -0.04 0.93 0.84 2zr2B1 ILE 61 HD13 -0.01 -0.01 -0.13 -0.04 0.88 0.69 2zr2B1 GLY 62 H -0.01 0.25 -0.52 -0.55 8.43 7.60 2zr2B1 GLY 62 HA2 -0.01 0.09 0.53 -0.51 4.01 4.11 2zr2B1 GLY 62 HA3 -0.01 0.12 0.25 -0.51 4.01 3.86 2zr2B1 LYS 63 H -0.01 0.13 -0.47 -0.55 8.42 7.52 2zr2B1 LYS 63 HA -0.01 0.09 0.56 -0.75 4.32 4.21 2zr2B1 LYS 63 HB2 -0.01 0.09 0.29 -0.04 1.87 2.19 2zr2B1 LYS 63 HB3 -0.01 -0.05 0.01 -0.04 1.79 1.70 2zr2B1 LYS 63 HG2 -0.01 0.17 0.09 -0.04 1.46 1.67 2zr2B1 LYS 63 HG3 -0.01 -0.06 0.01 -0.04 1.46 1.36 2zr2B1 LYS 63 HD2 -0.01 -0.01 0.07 -0.04 1.69 1.70 2zr2B1 LYS 63 HD3 -0.01 -0.01 0.01 -0.04 1.68 1.63 2zr2B1 LYS 63 HE2 -0.01 -0.01 0.00 -0.04 2.99 2.93 2zr2B1 LYS 63 HE3 -0.01 -0.01 -0.01 -0.04 2.99 2.92 2zr2B1 ARG 64 H -0.01 0.42 -0.15 -0.55 8.46 8.17 2zr2B1 ARG 64 HA -0.01 0.05 0.42 -0.75 4.34 4.04 2zr2B1 ARG 64 HB2 -0.01 0.15 0.09 -0.04 1.90 2.09 2zr2B1 ARG 64 HB3 -0.01 -0.23 0.13 -0.04 1.80 1.66 2zr2B1 ARG 64 HG2 -0.01 -0.01 0.03 -0.04 1.67 1.64 2zr2B1 ARG 64 HG3 -0.01 0.16 0.04 -0.04 1.67 1.82 2zr2B1 ARG 64 HD2 -0.01 -0.04 -0.07 -0.04 3.22 3.06 2zr2B1 ARG 64 HD3 -0.01 -0.07 -0.02 -0.04 3.22 3.08 2zr2B1 ARG 65 H -0.01 0.16 -0.94 -0.55 8.46 7.12 2zr2B1 ARG 65 HA -0.01 0.06 0.42 -0.75 4.34 4.05 2zr2B1 ARG 65 HB2 -0.01 -0.03 0.13 -0.04 1.90 1.96 2zr2B1 ARG 65 HB3 -0.01 0.29 0.12 -0.04 1.80 2.16 2zr2B1 ARG 65 HG2 -0.00 -0.02 0.05 -0.04 1.67 1.66 2zr2B1 ARG 65 HG3 -0.00 -0.04 0.03 -0.04 1.67 1.61 2zr2B1 ARG 65 HD2 -0.00 0.02 -0.09 -0.04 3.22 3.10 2zr2B1 ARG 65 HD3 -0.00 0.05 -0.69 -0.04 3.22 2.54 2zr2B1 LYS 66 H -0.01 0.29 -0.24 -0.55 8.42 7.91 2zr2B1 LYS 66 HA -0.00 0.11 0.57 -0.75 4.32 4.23 2zr2B1 LYS 66 HB2 -0.00 0.09 0.10 -0.04 1.87 2.01 2zr2B1 LYS 66 HB3 -0.00 -0.05 0.19 -0.04 1.79 1.89 2zr2B1 LYS 66 HG2 -0.00 -0.01 0.02 -0.04 1.46 1.43 2zr2B1 LYS 66 HG3 -0.00 0.02 0.03 -0.04 1.46 1.47 2zr2B1 LYS 66 HD2 -0.00 0.02 0.06 -0.04 1.69 1.72 2zr2B1 LYS 66 HD3 -0.00 -0.03 0.05 -0.04 1.68 1.66 2zr2B1 LYS 66 HE2 -0.00 0.02 0.02 -0.04 2.99 2.99 2zr2B1 LYS 66 HE3 -0.00 -0.03 0.02 -0.04 2.99 2.94 2zr2B1 LYS 67 H -0.00 0.33 -1.06 -0.55 8.42 7.14 2zr2B1 LYS 67 HA -0.00 0.15 0.68 -0.75 4.32 4.39 2zr2B1 LYS 67 HB2 -0.00 0.10 -0.13 -0.04 1.87 1.79 2zr2B1 LYS 67 HB3 -0.00 -0.12 0.13 -0.04 1.79 1.76 2zr2B1 LYS 67 HG2 -0.00 -0.44 0.22 -0.04 1.46 1.20 2zr2B1 LYS 67 HG3 -0.00 0.10 0.12 -0.04 1.46 1.64 2zr2B1 LYS 67 HD2 -0.00 0.02 0.04 -0.04 1.69 1.70 2zr2B1 LYS 67 HD3 -0.00 0.06 -0.00 -0.04 1.68 1.69 2zr2B1 LYS 67 HE2 -0.00 0.02 0.01 -0.04 2.99 2.98 2zr2B1 LYS 67 HE3 -0.00 -0.03 0.04 -0.04 2.99 2.95 2zr2B1 GLY 68 H -0.00 0.08 0.15 -0.55 8.43 8.11 2zr2B1 GLY 68 HA2 -0.00 0.09 0.38 -0.51 4.01 3.96 2zr2B1 GLY 68 HA3 -0.00 -0.04 0.34 -0.51 4.01 3.80 2zr2B1 GLU 69 H -0.00 -0.02 -0.28 -0.55 8.60 7.75 2zr2B1 GLU 69 HA -0.01 -0.13 0.26 -0.75 4.29 3.66 2zr2B1 GLU 69 HB2 -0.00 0.40 -0.08 -0.04 2.09 2.37 2zr2B1 GLU 69 HB3 -0.00 0.06 0.11 -0.04 1.99 2.12 2zr2B1 GLU 69 HG2 -0.01 -0.27 0.08 -0.04 2.34 2.10 2zr2B1 GLU 69 HG3 -0.01 -0.01 -0.29 -0.04 2.34 1.99 2zr2B1 PRO 70 HA -0.00 0.18 0.57 -0.51 4.44 4.68 2zr2B1 PRO 70 HB2 -0.00 -0.03 0.13 -0.04 2.28 2.33 2zr2B1 PRO 70 HB3 -0.00 0.05 0.14 -0.04 2.02 2.17 2zr2B1 PRO 70 HG2 -0.00 0.03 -0.00 -0.04 2.03 2.01 2zr2B1 PRO 70 HG3 -0.00 0.16 -0.12 -0.04 2.03 2.03 2zr2B1 PRO 70 HD2 -0.00 0.06 0.02 -0.04 3.68 3.72 2zr2B1 PRO 70 HD3 -0.00 -0.06 -0.39 -0.04 3.65 3.15 2zr2B1 VAL 71 H -0.01 0.44 -1.20 -0.55 8.24 6.92 2zr2B1 VAL 71 HA -0.01 -0.03 0.36 -0.75 4.13 3.70 2zr2B1 VAL 71 HB -0.01 -0.08 0.16 -0.04 2.12 2.16 2zr2B1 VAL 71 HG13 -0.01 0.06 0.03 -0.04 0.97 1.01 2zr2B1 VAL 71 HG23 -0.01 0.10 -0.08 -0.04 0.95 0.92 2zr2B1 ASP 72 H -0.00 0.22 -0.62 -0.55 8.40 7.46 2zr2B1 ASP 72 HA -0.00 0.06 0.37 -0.75 4.63 4.31 2zr2B1 ASP 72 HB2 -0.00 0.05 0.01 -0.04 2.71 2.72 2zr2B1 ASP 72 HB3 -0.00 0.02 0.12 -0.04 2.70 2.80 2zr2B1 GLU 73 H -0.01 0.08 -0.68 -0.55 8.60 7.45 2zr2B1 GLU 73 HA -0.00 0.19 0.81 -0.75 4.29 4.53 2zr2B1 GLU 73 HB2 -0.00 0.02 0.09 -0.04 2.09 2.16 2zr2B1 GLU 73 HB3 -0.00 0.01 -0.02 -0.04 1.99 1.93 2zr2B1 GLU 73 HG2 -0.00 0.03 -0.04 -0.04 2.34 2.28 2zr2B1 GLU 73 HG3 -0.00 0.03 -0.06 -0.04 2.34 2.26 2zr2B1 LEU 74 H -0.01 0.08 0.08 -0.55 8.37 7.97 2zr2B1 LEU 74 HA -0.01 0.08 0.48 -0.75 4.35 4.15 2zr2B1 LEU 74 HB2 -0.01 0.06 0.20 -0.04 1.64 1.85 2zr2B1 LEU 74 HB3 -0.01 0.05 0.10 -0.04 1.64 1.74 2zr2B1 LEU 74 HG -0.01 -0.05 0.07 -0.04 1.64 1.61 2zr2B1 LEU 74 HD13 -0.01 0.01 -0.04 -0.04 0.93 0.85 2zr2B1 LEU 74 HD23 -0.01 0.01 0.00 -0.04 0.89 0.86 2zr2B1 LEU 75 H -0.01 0.67 -0.06 -0.55 8.37 8.43 2zr2B1 LEU 75 HA -0.01 0.04 0.35 -0.75 4.35 3.98 2zr2B1 LEU 75 HB2 -0.01 0.17 0.10 -0.04 1.64 1.86 2zr2B1 LEU 75 HB3 -0.01 0.05 -0.10 -0.04 1.64 1.54 2zr2B1 LEU 75 HG -0.01 0.02 -0.04 -0.04 1.64 1.57 2zr2B1 LEU 75 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.85 2zr2B1 LEU 75 HD23 -0.01 -0.00 -0.02 -0.04 0.89 0.82 2zr2B1 ALA 76 H -0.01 0.22 -0.40 -0.55 8.40 7.67 2zr2B1 ALA 76 HA -0.00 0.03 0.37 -0.75 4.34 3.99 2zr2B1 ALA 76 HB3 -0.00 0.06 0.11 -0.04 1.41 1.54 2zr2B1 LYS 77 H -0.01 0.32 -0.52 -0.55 8.42 7.67 2zr2B1 LYS 77 HA -0.01 0.03 0.52 -0.75 4.32 4.11 2zr2B1 LYS 77 HB2 -0.01 0.14 0.28 -0.04 1.87 2.24 2zr2B1 LYS 77 HB3 -0.01 -0.03 -0.01 -0.04 1.79 1.71 2zr2B1 LYS 77 HG2 -0.01 0.03 0.02 -0.04 1.46 1.46 2zr2B1 LYS 77 HG3 -0.01 -0.02 0.02 -0.04 1.46 1.41 2zr2B1 LYS 77 HD2 -0.01 -0.02 -0.00 -0.04 1.69 1.62 2zr2B1 LYS 77 HD3 -0.00 -0.03 0.05 -0.04 1.68 1.66 2zr2B1 LYS 77 HE2 -0.01 0.00 -0.02 -0.04 2.99 2.93 2zr2B1 LYS 77 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.92 2zr2B1 SER 78 H -0.01 0.66 0.13 -0.55 8.46 8.70 2zr2B1 SER 78 HA -0.01 -0.01 0.41 -0.75 4.49 4.13 2zr2B1 SER 78 HB2 -0.01 -0.03 0.09 -0.04 3.95 3.96 2zr2B1 SER 78 HB3 -0.01 0.02 0.11 -0.04 3.93 4.01 2zr2B1 ARG 79 H -0.01 0.35 -0.61 -0.55 8.46 7.64 2zr2B1 ARG 79 HA -0.01 0.05 0.59 -0.75 4.34 4.22 2zr2B1 ARG 79 HB2 -0.00 0.02 0.04 -0.04 1.90 1.92 2zr2B1 ARG 79 HB3 -0.00 0.18 0.09 -0.04 1.80 2.02 2zr2B1 ARG 79 HG2 -0.00 -0.05 0.05 -0.04 1.67 1.63 2zr2B1 ARG 79 HG3 -0.00 -0.01 -0.01 -0.04 1.67 1.61 2zr2B1 ARG 79 HD2 -0.00 0.04 -0.10 -0.04 3.22 3.12 2zr2B1 ARG 79 HD3 -0.00 -0.02 -0.58 -0.04 3.22 2.57 2zr2B1 GLU 80 H -0.01 0.39 -0.02 -0.55 8.60 8.42 2zr2B1 GLU 80 HA -0.00 0.02 0.49 -0.75 4.29 4.04 2zr2B1 GLU 80 HB2 -0.00 0.10 0.20 -0.04 2.09 2.35 2zr2B1 GLU 80 HB3 -0.00 -0.07 0.09 -0.04 1.99 1.97 2zr2B1 GLU 80 HG2 -0.00 0.47 0.26 -0.04 2.34 3.03 2zr2B1 GLU 80 HG3 -0.00 -0.06 0.05 -0.04 2.34 2.29 2zr2B1 ILE 81 H -0.01 0.61 -0.12 -0.55 8.25 8.18 2zr2B1 ILE 81 HA -0.01 0.02 0.42 -0.75 4.18 3.85 2zr2B1 ILE 81 HB -0.01 0.12 0.14 -0.04 1.89 2.10 2zr2B1 ILE 81 HG12 -0.01 -0.05 -0.01 -0.04 1.49 1.39 2zr2B1 ILE 81 HG13 -0.01 0.14 -0.04 -0.04 1.21 1.27 2zr2B1 ILE 81 HG23 -0.01 -0.02 -0.14 -0.04 0.93 0.73 2zr2B1 ILE 81 HD13 -0.01 -0.00 -0.14 -0.04 0.88 0.69 2zr2B1 VAL 82 H -0.01 0.47 -0.12 -0.55 8.24 8.04 2zr2B1 VAL 82 HA -0.01 0.01 0.39 -0.75 4.13 3.77 2zr2B1 VAL 82 HB -0.00 -0.04 0.10 -0.04 2.12 2.13 2zr2B1 VAL 82 HG13 -0.01 0.09 0.11 -0.04 0.97 1.13 2zr2B1 VAL 82 HG23 -0.00 0.02 -0.00 -0.04 0.95 0.93 2zr2B1 LYS 83 H -0.00 0.40 -0.47 -0.55 8.42 7.79 2zr2B1 LYS 83 HA -0.00 0.03 0.47 -0.75 4.32 4.07 2zr2B1 LYS 83 HB2 -0.00 0.07 0.13 -0.04 1.87 2.03 2zr2B1 LYS 83 HB3 -0.00 0.14 0.20 -0.04 1.79 2.09 2zr2B1 LYS 83 HG2 -0.00 -0.04 -0.19 -0.04 1.46 1.19 2zr2B1 LYS 83 HG3 -0.00 -0.04 0.05 -0.04 1.46 1.43 2zr2B1 LYS 83 HD2 -0.00 0.00 0.01 -0.04 1.69 1.66 2zr2B1 LYS 83 HD3 -0.00 0.01 0.01 -0.04 1.68 1.66 2zr2B1 LYS 83 HE2 -0.00 -0.02 -0.02 -0.04 2.99 2.91 2zr2B1 LYS 83 HE3 -0.00 -0.01 -0.00 -0.04 2.99 2.94 2zr2B1 ARG 84 H -0.00 0.56 -0.10 -0.55 8.46 8.36 2zr2B1 ARG 84 HA -0.00 -0.00 0.47 -0.75 4.34 4.05 2zr2B1 ARG 84 HB2 -0.00 0.08 0.15 -0.04 1.90 2.09 2zr2B1 ARG 84 HB3 -0.01 0.12 0.20 -0.04 1.80 2.07 2zr2B1 ARG 84 HG2 -0.01 -0.00 -0.05 -0.04 1.67 1.57 2zr2B1 ARG 84 HG3 -0.01 -0.09 -0.03 -0.04 1.67 1.50 2zr2B1 ARG 84 HD2 -0.00 0.02 0.03 -0.04 3.22 3.22 2zr2B1 ARG 84 HD3 -0.00 0.00 -0.01 -0.04 3.22 3.17 2zr2B1 ILE 85 H -0.01 0.64 -0.03 -0.55 8.25 8.31 2zr2B1 ILE 85 HA -0.01 -0.01 0.40 -0.75 4.18 3.80 2zr2B1 ILE 85 HB -0.01 0.09 0.11 -0.04 1.89 2.04 2zr2B1 ILE 85 HG12 -0.01 -0.04 0.04 -0.04 1.49 1.44 2zr2B1 ILE 85 HG13 -0.01 0.29 0.05 -0.04 1.21 1.50 2zr2B1 ILE 85 HG23 -0.01 -0.01 -0.05 -0.04 0.93 0.82 2zr2B1 ILE 85 HD13 -0.00 -0.01 -0.14 -0.04 0.88 0.68 2zr2B1 GLY 86 H -0.00 0.45 -0.37 -0.55 8.43 7.96 2zr2B1 GLY 86 HA2 -0.00 0.01 0.42 -0.51 4.01 3.93 2zr2B1 GLY 86 HA3 -0.00 0.10 0.31 -0.51 4.01 3.90 2zr2B1 GLU 87 H -0.00 0.53 -0.05 -0.55 8.60 8.53 2zr2B1 GLU 87 HA 0.00 0.00 0.42 -0.75 4.29 3.96 2zr2B1 GLU 87 HB2 -0.00 0.06 0.19 -0.04 2.09 2.30 2zr2B1 GLU 87 HB3 0.00 -0.06 0.05 -0.04 1.99 1.94 2zr2B1 GLU 87 HG2 -0.00 -0.07 0.06 -0.04 2.34 2.29 2zr2B1 GLU 87 HG3 -0.00 0.45 0.21 -0.04 2.34 2.95 2zr2B1 LEU 88 H -0.01 0.82 -0.07 -0.55 8.37 8.57 2zr2B1 LEU 88 HA -0.00 -0.03 0.44 -0.75 4.35 4.00 2zr2B1 LEU 88 HB2 -0.02 0.11 0.21 -0.04 1.64 1.90 2zr2B1 LEU 88 HB3 -0.03 -0.02 0.01 -0.04 1.64 1.57 2zr2B1 LEU 88 HG -0.01 0.07 0.06 -0.04 1.64 1.71 2zr2B1 LEU 88 HD13 -0.02 -0.01 -0.11 -0.04 0.93 0.74 2zr2B1 LEU 88 HD23 -0.01 -0.03 0.05 -0.04 0.89 0.85 2zr2B1 GLU 89 H -0.01 0.69 -0.06 -0.55 8.60 8.68 2zr2B1 GLU 89 HA -0.00 -0.05 0.34 -0.75 4.29 3.83 2zr2B1 GLU 89 HB2 0.00 0.19 0.21 -0.04 2.09 2.45 2zr2B1 GLU 89 HB3 0.01 -0.07 0.02 -0.04 1.99 1.91 2zr2B1 GLU 89 HG2 -0.01 -0.08 0.08 -0.04 2.34 2.29 2zr2B1 GLU 89 HG3 -0.01 0.11 0.14 -0.04 2.34 2.54 2zr2B1 ASN 90 H 0.01 0.45 -0.38 -0.55 8.53 8.07 2zr2B1 ASN 90 HA 0.02 0.04 0.63 -0.75 4.76 4.69 2zr2B1 ASN 90 HB2 0.01 0.15 0.16 -0.04 2.88 3.16 2zr2B1 ASN 90 HB3 0.01 -0.07 0.03 -0.04 2.79 2.73 2zr2B1 ASN 90 HD21 0.00 -0.02 -0.00 -0.04 7.03 6.97 2zr2B1 ASN 90 HD22 0.00 -0.02 0.01 -0.04 7.74 7.69 2zr2B1 GLU 91 H 0.02 0.54 0.04 -0.55 8.60 8.66 2zr2B1 GLU 91 HA 0.04 -0.01 0.44 -0.75 4.29 4.00 2zr2B1 GLU 91 HB2 0.03 0.07 0.13 -0.04 2.09 2.27 2zr2B1 GLU 91 HB3 0.04 -0.08 0.10 -0.04 1.99 2.00 2zr2B1 GLU 91 HG2 0.02 -0.09 0.08 -0.04 2.34 2.31 2zr2B1 GLU 91 HG3 0.01 0.63 0.30 -0.04 2.34 3.24 2zr2B1 VAL 92 H 0.05 0.55 -0.25 -0.55 8.24 8.04 2zr2B1 VAL 92 HA 0.24 -0.00 0.44 -0.75 4.13 4.05 2zr2B1 VAL 92 HB 0.05 0.20 0.13 -0.04 2.12 2.46 2zr2B1 VAL 92 HG13 0.13 -0.01 -0.12 -0.04 0.97 0.92 2zr2B1 VAL 92 HG23 -0.08 0.05 -0.10 -0.04 0.95 0.77 2zr2B1 GLU 93 H 0.09 0.47 -0.05 -0.55 8.60 8.57 2zr2B1 GLU 93 HA 0.12 0.00 0.39 -0.75 4.29 4.04 2zr2B1 GLU 93 HB2 0.04 0.10 0.19 -0.04 2.09 2.39 2zr2B1 GLU 93 HB3 0.03 -0.04 0.04 -0.04 1.99 1.98 2zr2B1 GLU 93 HG2 0.07 -0.05 0.07 -0.04 2.34 2.39 2zr2B1 GLU 93 HG3 0.06 0.23 0.18 -0.04 2.34 2.77 2zr2B1 GLU 94 H 0.05 0.60 -0.18 -0.55 8.60 8.52 2zr2B1 GLU 94 HA 0.00 0.01 0.45 -0.75 4.29 4.00 2zr2B1 GLU 94 HB2 0.03 0.14 0.19 -0.04 2.09 2.41 2zr2B1 GLU 94 HB3 0.01 -0.03 -0.01 -0.04 1.99 1.92 2zr2B1 GLU 94 HG2 0.00 0.03 0.04 -0.04 2.34 2.37 2zr2B1 GLU 94 HG3 -0.00 -0.02 0.02 -0.04 2.34 2.29 2zr2B1 LEU 95 H 0.11 0.67 -0.10 -0.55 8.37 8.50 2zr2B1 LEU 95 HA 0.04 -0.05 0.41 -0.75 4.35 4.00 2zr2B1 LEU 95 HB2 0.26 0.23 0.32 -0.04 1.64 2.41 2zr2B1 LEU 95 HB3 0.26 -0.05 0.03 -0.04 1.64 1.84 2zr2B1 LEU 95 HG 0.19 0.01 0.08 -0.04 1.64 1.88 2zr2B1 LEU 95 HD13 0.07 -0.02 0.06 -0.04 0.93 0.99 2zr2B1 LEU 95 HD23 0.15 0.03 -0.11 -0.04 0.89 0.91 2zr2B1 LYS 96 H 0.09 0.71 -0.09 -0.55 8.42 8.57 2zr2B1 LYS 96 HA -0.35 -0.04 0.40 -0.75 4.32 3.57 2zr2B1 LYS 96 HB2 0.03 0.17 0.15 -0.04 1.87 2.17 2zr2B1 LYS 96 HB3 -0.08 -0.05 0.01 -0.04 1.79 1.64 2zr2B1 LYS 96 HG2 -0.34 -0.06 0.03 -0.04 1.46 1.05 2zr2B1 LYS 96 HG3 0.25 0.11 0.04 -0.04 1.46 1.82 2zr2B1 LYS 96 HD2 0.24 -0.01 -0.09 -0.04 1.69 1.79 2zr2B1 LYS 96 HD3 0.17 -0.01 -0.02 -0.04 1.68 1.78 2zr2B1 LYS 96 HE2 0.80 -0.02 -0.03 -0.04 2.99 3.70 2zr2B1 LYS 96 HE3 1.21 -0.01 -0.08 -0.04 2.99 4.07 2zr2B1 LYS 97 H -0.02 0.52 -0.23 -0.55 8.42 8.14 2zr2B1 LYS 97 HA -0.05 0.02 0.49 -0.75 4.32 4.02 2zr2B1 LYS 97 HB2 -0.04 0.16 0.22 -0.04 1.87 2.18 2zr2B1 LYS 97 HB3 -0.06 -0.07 0.04 -0.04 1.79 1.66 2zr2B1 LYS 97 HG2 -0.04 -0.05 0.03 -0.04 1.46 1.36 2zr2B1 LYS 97 HG3 -0.02 0.26 0.09 -0.04 1.46 1.75 2zr2B1 LYS 97 HD2 -0.03 -0.02 -0.02 -0.04 1.69 1.59 2zr2B1 LYS 97 HD3 -0.05 -0.03 0.00 -0.04 1.68 1.56 2zr2B1 LYS 97 HE2 -0.03 -0.01 -0.02 -0.04 2.99 2.89 2zr2B1 LYS 97 HE3 -0.01 0.00 -0.06 -0.04 2.99 2.88 2zr2B1 LYS 98 H -0.06 0.52 -0.04 -0.55 8.42 8.28 2zr2B1 LYS 98 HA -0.21 0.03 0.43 -0.75 4.32 3.82 2zr2B1 LYS 98 HB2 -0.03 0.09 0.15 -0.04 1.87 2.04 2zr2B1 LYS 98 HB3 -0.10 -0.06 0.01 -0.04 1.79 1.60 2zr2B1 LYS 98 HG2 -0.15 -0.04 0.02 -0.04 1.46 1.25 2zr2B1 LYS 98 HG3 -0.07 0.18 0.05 -0.04 1.46 1.58 2zr2B1 LYS 98 HD2 -0.01 -0.01 -0.01 -0.04 1.69 1.62 2zr2B1 LYS 98 HD3 -0.04 -0.03 -0.01 -0.04 1.68 1.55 2zr2B1 LYS 98 HE2 -0.04 -0.02 -0.02 -0.04 2.99 2.86 2zr2B1 LYS 98 HE3 -0.03 0.02 -0.07 -0.04 2.99 2.87 2zr2B1 ILE 99 H -0.06 0.64 -0.05 -0.55 8.25 8.22 2zr2B1 ILE 99 HA 0.11 -0.02 0.45 -0.75 4.18 3.97 2zr2B1 ILE 99 HB -0.19 0.10 0.17 -0.04 1.89 1.93 2zr2B1 ILE 99 HG12 -0.02 -0.06 0.06 -0.04 1.49 1.43 2zr2B1 ILE 99 HG13 -0.03 0.11 0.08 -0.04 1.21 1.32 2zr2B1 ILE 99 HG23 -0.12 -0.02 -0.08 -0.04 0.93 0.67 2zr2B1 ILE 99 HD13 -0.24 -0.03 -0.24 -0.04 0.88 0.32 2zr2B1 ASP 100 H -0.04 0.70 -0.05 -0.55 8.40 8.47 2zr2B1 ASP 100 HA 0.14 -0.02 0.46 -0.75 4.63 4.46 2zr2B1 ASP 100 HB2 0.00 0.12 0.15 -0.04 2.71 2.95 2zr2B1 ASP 100 HB3 0.15 -0.01 0.01 -0.04 2.70 2.81 2zr2B1 TYR 101 H 0.02 0.44 -0.34 -0.55 8.29 7.86 2zr2B1 TYR 101 HA -0.06 0.01 0.38 -0.75 4.56 4.13 2zr2B1 TYR 101 HB2 -0.24 0.06 0.15 -0.04 3.06 3.00 2zr2B1 TYR 101 HB3 -0.50 0.25 0.18 -0.04 2.98 2.87 2zr2B1 TYR 101 HD2 -0.72 0.02 -0.16 -0.04 7.15 6.25 2zr2B1 TYR 101 HE2 -0.23 -0.03 -0.04 -0.04 6.85 6.51 2zr2B1 TYR 102 H -0.03 0.34 -0.37 -0.55 8.29 7.68 2zr2B1 TYR 102 HA -0.49 0.06 0.54 -0.75 4.56 3.92 2zr2B1 TYR 102 HB2 -0.09 0.14 0.19 -0.04 3.06 3.25 2zr2B1 TYR 102 HB3 -0.07 -0.07 -0.02 -0.04 2.98 2.78 2zr2B1 TYR 102 HD2 -1.51 0.01 -0.00 -0.04 7.15 5.61 2zr2B1 TYR 102 HE2 -0.61 -0.04 -0.06 -0.04 6.85 6.10 2zr2B1 LEU 103 H 0.13 0.59 0.15 -0.55 8.37 8.69 2zr2B1 LEU 103 HA 0.06 -0.04 0.40 -0.75 4.35 4.02 2zr2B1 LEU 103 HB2 0.08 0.03 0.18 -0.04 1.64 1.88 2zr2B1 LEU 103 HB3 -0.14 0.07 0.06 -0.04 1.64 1.58 2zr2B1 LEU 103 HG 0.03 0.13 0.03 -0.04 1.64 1.79 2zr2B1 LEU 103 HD13 -0.07 -0.01 -0.00 -0.04 0.93 0.80 2zr2B1 LEU 103 HD23 0.00 0.01 -0.05 -0.04 0.89 0.81 2zr2B1 TRP 104 H 0.26 0.55 -0.40 -0.55 7.97 7.83 2zr2B1 TRP 104 HA -0.28 0.14 0.59 -0.75 4.62 4.32 2zr2B1 TRP 104 HB2 -0.09 0.12 0.06 -0.04 3.23 3.28 2zr2B1 TRP 104 HB3 -0.27 -0.07 0.11 -0.04 3.23 2.96 2zr2B1 TRP 104 HD1 -0.08 0.11 0.07 -0.04 7.22 7.28 2zr2B1 TRP 104 HE1 -0.07 -0.06 -0.01 -0.04 10.20 10.02 2zr2B1 TRP 104 HE3 -0.08 -0.01 0.08 -0.04 7.59 7.55 2zr2B1 TRP 104 HZ2 -0.04 0.00 0.03 -0.04 7.44 7.39 2zr2B1 TRP 104 HZ3 0.05 0.17 -0.14 -0.04 7.13 7.18 2zr2B1 TRP 104 HH2 0.02 0.10 -0.01 -0.04 7.19 7.26 2zr2B1 ARG 105 H 0.17 0.56 -0.32 -0.55 8.46 8.31 2zr2B1 ARG 105 HA 0.07 0.10 0.94 -0.75 4.34 4.70 2zr2B1 ARG 105 HB2 0.31 0.09 0.17 -0.04 1.90 2.43 2zr2B1 ARG 105 HB3 0.46 -0.14 0.21 -0.04 1.80 2.29 2zr2B1 ARG 105 HG2 -0.02 -0.16 0.04 -0.04 1.67 1.49 2zr2B1 ARG 105 HG3 -0.13 0.05 -0.28 -0.04 1.67 1.26 2zr2B1 ARG 105 HD2 -0.53 0.00 0.03 -0.04 3.22 2.68 2zr2B1 ARG 105 HD3 -0.05 -0.13 0.02 -0.04 3.22 3.02 2zr2B1 LEU 106 H 0.22 0.29 -0.14 -0.55 8.37 8.19 2zr2B1 LEU 106 HA 0.23 0.06 0.70 -0.75 4.35 4.59 2zr2B1 LEU 106 HB2 0.21 0.11 0.14 -0.04 1.64 2.05 2zr2B1 LEU 106 HB3 0.15 0.05 -0.04 -0.04 1.64 1.76 2zr2B1 LEU 106 HG 0.11 -0.01 -0.06 -0.04 1.64 1.64 2zr2B1 LEU 106 HD13 0.23 -0.01 -0.04 -0.04 0.93 1.07 2zr2B1 LEU 106 HD23 0.26 -0.01 -0.16 -0.04 0.89 0.94 2zr2B1 PRO 107 HA -0.03 0.11 0.47 -0.51 4.44 4.48 2zr2B1 PRO 107 HB2 -0.40 0.21 0.01 -0.04 2.28 2.06 2zr2B1 PRO 107 HB3 -1.18 -0.10 0.09 -0.04 2.02 0.79 2zr2B1 PRO 107 HG2 -0.18 0.02 -0.04 -0.04 2.03 1.78 2zr2B1 PRO 107 HG3 -0.37 -0.02 0.04 -0.04 2.03 1.64 2zr2B1 PRO 107 HD2 -0.07 -0.01 0.21 -0.04 3.68 3.77 2zr2B1 PRO 107 HD3 -0.22 0.13 0.22 -0.04 3.65 3.74 2zr2B1 ASN 108 H -0.42 0.62 0.22 -0.55 8.53 8.41 2zr2B1 ASN 108 HA 0.22 -0.02 0.39 -0.75 4.76 4.59 2zr2B1 ASN 108 HB2 -0.81 0.07 0.04 -0.04 2.88 2.14 2zr2B1 ASN 108 HB3 -0.31 0.18 -0.38 -0.04 2.79 2.24 2zr2B1 ASN 108 HD21 -0.10 -0.21 -0.22 -0.04 7.03 6.47 2zr2B1 ASN 108 HD22 -0.22 0.16 -0.24 -0.04 7.74 7.40 2zr2B1 ILE 109 H 0.04 0.03 0.10 -0.55 8.25 7.87 2zr2B1 ILE 109 HA -0.03 0.05 0.48 -0.75 4.18 3.93 2zr2B1 ILE 109 HB 0.04 -0.07 0.11 -0.04 1.89 1.92 2zr2B1 ILE 109 HG12 0.04 -0.01 0.07 -0.04 1.49 1.54 2zr2B1 ILE 109 HG13 0.02 -0.07 0.00 -0.04 1.21 1.12 2zr2B1 ILE 109 HG23 -0.00 0.06 -0.09 -0.04 0.93 0.85 2zr2B1 ILE 109 HD13 -0.00 0.02 -0.07 -0.04 0.88 0.79 2zr2B1 THR 110 H -0.04 0.07 0.16 -0.55 8.28 7.93 2zr2B1 THR 110 HA 0.01 0.17 0.48 -0.75 4.39 4.29 2zr2B1 THR 110 HB -0.02 0.06 0.10 -0.04 4.32 4.42 2zr2B1 THR 110 HG23 -0.08 0.01 0.03 -0.04 1.22 1.14 2zr2B1 HIS 111 H 0.14 0.61 0.31 -0.55 8.41 8.92 2zr2B1 HIS 111 HA -0.05 0.11 0.62 -0.75 4.63 4.55 2zr2B1 HIS 111 HB2 -0.08 -0.01 0.05 -0.04 3.26 3.18 2zr2B1 HIS 111 HB3 -0.16 -0.00 0.12 -0.04 3.20 3.11 2zr2B1 HIS 111 HD2 -0.68 0.00 0.02 -0.04 6.97 6.28 2zr2B1 HIS 111 HE1 -0.29 0.05 -0.03 -0.04 7.75 7.43 2zr2B1 PRO 112 HA -0.15 0.12 0.34 -0.51 4.44 4.24 2zr2B1 PRO 112 HB2 -0.23 0.03 -0.01 -0.04 2.28 2.03 2zr2B1 PRO 112 HB3 -0.20 0.02 0.11 -0.04 2.02 1.92 2zr2B1 PRO 112 HG2 -0.90 -0.01 0.07 -0.04 2.03 1.14 2zr2B1 PRO 112 HG3 -0.37 0.03 0.08 -0.04 2.03 1.73 2zr2B1 PRO 112 HD2 -0.94 0.04 0.25 -0.04 3.68 2.99 2zr2B1 PRO 112 HD3 -0.30 0.19 0.19 -0.04 3.65 3.69 2zr2B1 SER 113 H 0.05 -0.03 -0.55 -0.55 8.46 7.38 2zr2B1 SER 113 HA -0.01 0.12 0.47 -0.75 4.49 4.31 2zr2B1 SER 113 HB2 0.03 0.02 0.09 -0.04 3.95 4.05 2zr2B1 SER 113 HB3 0.13 -0.06 0.01 -0.04 3.93 3.97 2zr2B1 VAL 114 H 0.00 0.64 -0.17 -0.55 8.24 8.16 2zr2B1 VAL 114 HA -0.01 0.10 0.64 -0.75 4.13 4.10 2zr2B1 VAL 114 HB -0.03 0.07 0.06 -0.04 2.12 2.18 2zr2B1 VAL 114 HG13 0.02 0.01 0.19 -0.04 0.97 1.15 2zr2B1 VAL 114 HG23 -0.03 0.06 0.00 -0.04 0.95 0.94 2zr2B1 PRO 115 HA -0.02 0.05 0.57 -0.51 4.44 4.53 2zr2B1 PRO 115 HB2 -0.02 0.12 0.02 -0.04 2.28 2.36 2zr2B1 PRO 115 HB3 -0.01 0.02 0.11 -0.04 2.02 2.09 2zr2B1 PRO 115 HG2 -0.02 -0.12 -0.05 -0.04 2.03 1.80 2zr2B1 PRO 115 HG3 -0.01 0.05 0.06 -0.04 2.03 2.09 2zr2B1 PRO 115 HD2 -0.01 0.13 0.13 -0.04 3.68 3.88 2zr2B1 PRO 115 HD3 -0.00 0.28 0.24 -0.04 3.65 4.12 2zr2B1 VAL 116 H -0.02 0.11 0.21 -0.55 8.24 7.98 2zr2B1 VAL 116 HA -0.03 0.09 0.58 -0.75 4.13 4.01 2zr2B1 VAL 116 HB -0.02 -0.04 0.12 -0.04 2.12 2.13 2zr2B1 VAL 116 HG13 -0.03 0.04 0.01 -0.04 0.97 0.95 2zr2B1 VAL 116 HG23 -0.03 0.02 0.10 -0.04 0.95 1.00 2zr2B1 GLY 117 H -0.03 0.31 0.22 -0.55 8.43 8.39 2zr2B1 GLY 117 HA2 -0.02 0.05 0.44 -0.51 4.01 3.98 2zr2B1 GLY 117 HA3 -0.02 0.10 0.29 -0.51 4.01 3.87 2zr2B1 LYS 118 H -0.01 0.11 0.15 -0.55 8.42 8.11 2zr2B1 LYS 118 HA -0.01 0.20 0.60 -0.75 4.32 4.35 2zr2B1 LYS 118 HB2 -0.01 0.01 0.12 -0.04 1.87 1.95 2zr2B1 LYS 118 HB3 -0.01 -0.08 0.11 -0.04 1.79 1.78 2zr2B1 LYS 118 HG2 -0.00 -0.01 0.01 -0.04 1.46 1.41 2zr2B1 LYS 118 HG3 -0.01 0.01 -0.06 -0.04 1.46 1.37 2zr2B1 LYS 118 HD2 -0.01 0.07 0.10 -0.04 1.69 1.80 2zr2B1 LYS 118 HD3 -0.01 -0.01 0.03 -0.04 1.68 1.65 2zr2B1 LYS 118 HE2 -0.01 0.01 0.05 -0.04 2.99 3.00 2zr2B1 LYS 118 HE3 -0.00 -0.03 0.03 -0.04 2.99 2.94 2zr2B1 ASP 119 H -0.01 0.02 0.05 -0.55 8.40 7.91 2zr2B1 ASP 119 HA -0.01 0.35 0.43 -0.75 4.63 4.66 2zr2B1 ASP 119 HB2 -0.00 -0.08 0.18 -0.04 2.71 2.77 2zr2B1 ASP 119 HB3 -0.00 0.19 -0.12 -0.04 2.70 2.73 2zr2B1 GLU 120 H -0.00 0.23 0.09 -0.55 8.60 8.37 2zr2B1 GLU 120 HA -0.01 0.10 0.34 -0.75 4.29 3.97 2zr2B1 GLU 120 HB2 0.01 0.07 0.07 -0.04 2.09 2.19 2zr2B1 GLU 120 HB3 0.00 0.05 0.09 -0.04 1.99 2.09 2zr2B1 GLU 120 HG2 0.00 -0.09 0.12 -0.04 2.34 2.32 2zr2B1 GLU 120 HG3 0.01 0.04 -0.06 -0.04 2.34 2.29 2zr2B1 ASN 121 H -0.00 -0.04 -0.55 -0.55 8.53 7.39 2zr2B1 ASN 121 HA 0.00 0.14 0.44 -0.75 4.76 4.59 2zr2B1 ASN 121 HB2 -0.00 -0.13 0.04 -0.04 2.88 2.74 2zr2B1 ASN 121 HB3 -0.00 0.08 -0.06 -0.04 2.79 2.76 2zr2B1 ASN 121 HD21 0.01 0.01 -0.00 -0.04 7.03 7.00 2zr2B1 ASN 121 HD22 0.00 0.02 -0.01 -0.04 7.74 7.71 2zr2B1 ASP 122 H -0.01 0.17 -0.17 -0.55 8.40 7.84 2zr2B1 ASP 122 HA -0.01 0.21 0.58 -0.75 4.63 4.65 2zr2B1 ASP 122 HB2 -0.01 -0.04 0.05 -0.04 2.71 2.66 2zr2B1 ASP 122 HB3 -0.01 0.17 0.20 -0.04 2.70 3.02 2zr2B1 ASN 123 H -0.01 0.20 -0.66 -0.55 8.53 7.51 2zr2B1 ASN 123 HA -0.01 0.00 0.50 -0.75 4.76 4.49 2zr2B1 ASN 123 HB2 -0.01 0.23 0.07 -0.04 2.88 3.13 2zr2B1 ASN 123 HB3 -0.02 -0.01 -0.17 -0.04 2.79 2.56 2zr2B1 ASN 123 HD21 -0.01 0.00 -0.06 -0.04 7.03 6.92 2zr2B1 ASN 123 HD22 -0.01 0.05 -0.00 -0.04 7.74 7.74 2zr2B1 VAL 124 H -0.01 0.46 0.25 -0.55 8.24 8.39 2zr2B1 VAL 124 HA -0.03 0.31 1.02 -0.75 4.13 4.68 2zr2B1 VAL 124 HB -0.01 -0.04 0.20 -0.04 2.12 2.24 2zr2B1 VAL 124 HG13 -0.01 0.01 -0.16 -0.04 0.97 0.76 2zr2B1 VAL 124 HG23 -0.01 0.01 -0.00 -0.04 0.95 0.91 2zr2B1 PRO 125 HA -0.24 0.04 0.50 -0.51 4.44 4.23 2zr2B1 PRO 125 HB2 -0.01 0.01 0.08 -0.04 2.28 2.32 2zr2B1 PRO 125 HB3 -0.43 0.03 0.06 -0.04 2.02 1.63 2zr2B1 PRO 125 HG2 0.02 0.09 0.08 -0.04 2.03 2.18 2zr2B1 PRO 125 HG3 -0.10 0.01 0.04 -0.04 2.03 1.93 2zr2B1 PRO 125 HD2 -0.01 0.07 0.24 -0.04 3.68 3.93 2zr2B1 PRO 125 HD3 -0.03 0.37 0.36 -0.04 3.65 4.31 2zr2B1 ILE 126 H -0.23 0.54 0.50 -0.55 8.25 8.52 2zr2B1 ILE 126 HA -0.06 0.23 1.05 -0.75 4.18 4.65 2zr2B1 ILE 126 HB -0.05 -0.05 0.18 -0.04 1.89 1.93 2zr2B1 ILE 126 HG12 -0.11 0.21 0.07 -0.04 1.49 1.62 2zr2B1 ILE 126 HG13 -0.14 -0.01 -0.29 -0.04 1.21 0.73 2zr2B1 ILE 126 HG23 0.00 0.04 -0.05 -0.04 0.93 0.88 2zr2B1 ILE 126 HD13 -0.16 -0.03 -0.09 -0.04 0.88 0.55 2zr2B1 ARG 127 H -0.47 0.17 0.23 -0.55 8.46 7.83 2zr2B1 ARG 127 HA -0.04 0.07 0.52 -0.75 4.34 4.13 2zr2B1 ARG 127 HB2 -0.06 0.23 0.16 -0.04 1.90 2.20 2zr2B1 ARG 127 HB3 -0.12 -0.10 -0.25 -0.04 1.80 1.28 2zr2B1 ARG 127 HG2 0.02 -0.08 -0.24 -0.04 1.67 1.33 2zr2B1 ARG 127 HG3 0.04 0.08 0.08 -0.04 1.67 1.83 2zr2B1 ARG 127 HD2 0.04 0.00 -0.04 -0.04 3.22 3.19 2zr2B1 ARG 127 HD3 -0.02 0.03 -0.00 -0.04 3.22 3.18 2zr2B1 PHE 128 H 0.17 0.24 0.25 -0.55 8.34 8.44 2zr2B1 PHE 128 HA -0.05 0.19 1.17 -0.75 4.62 5.19 2zr2B1 PHE 128 HB2 -0.05 0.04 0.01 -0.04 3.15 3.11 2zr2B1 PHE 128 HB3 -0.05 0.02 0.15 -0.04 3.06 3.14 2zr2B1 PHE 128 HD2 -0.12 -0.02 -0.07 -0.04 7.28 7.04 2zr2B1 PHE 128 HE2 -0.23 0.09 -0.05 -0.04 7.38 7.15 2zr2B1 PHE 128 HZ -0.15 0.04 -0.15 -0.04 7.32 7.02 2zr2B1 TRP 129 H 0.06 0.59 0.37 -0.55 7.97 8.45 2zr2B1 TRP 129 HA -0.08 0.03 0.64 -0.75 4.62 4.46 2zr2B1 TRP 129 HB2 -0.34 0.07 -0.25 -0.04 3.23 2.67 2zr2B1 TRP 129 HB3 -1.28 -0.01 -0.08 -0.04 3.23 1.82 2zr2B1 TRP 129 HD1 -0.01 0.04 0.06 -0.04 7.22 7.27 2zr2B1 TRP 129 HE1 0.04 -0.01 0.00 -0.04 10.20 10.19 2zr2B1 TRP 129 HE3 -0.06 0.02 -0.36 -0.04 7.59 7.15 2zr2B1 TRP 129 HZ2 0.07 -0.01 -0.01 -0.04 7.44 7.45 2zr2B1 TRP 129 HZ3 0.18 0.03 -0.36 -0.04 7.13 6.94 2zr2B1 TRP 129 HH2 0.11 0.09 0.02 -0.04 7.19 7.37 2zr2B1 GLY 130 H -1.41 0.08 0.13 -0.55 8.43 6.68 2zr2B1 GLY 130 HA2 -1.32 0.02 0.34 -0.51 4.01 2.53 2zr2B1 GLY 130 HA3 -0.52 0.16 0.58 -0.51 4.01 3.72 2zr2B1 LYS 131 H -0.25 0.21 0.08 -0.55 8.42 7.90 2zr2B1 LYS 131 HA -0.12 0.31 0.74 -0.75 4.32 4.51 2zr2B1 LYS 131 HB2 -0.16 -0.06 -0.06 -0.04 1.87 1.55 2zr2B1 LYS 131 HB3 -0.10 0.01 0.11 -0.04 1.79 1.76 2zr2B1 LYS 131 HG2 -0.08 0.04 -0.33 -0.04 1.46 1.04 2zr2B1 LYS 131 HG3 -0.10 -0.02 -0.42 -0.04 1.46 0.88 2zr2B1 LYS 131 HD2 -0.10 -0.04 -0.08 -0.04 1.69 1.43 2zr2B1 LYS 131 HD3 -0.07 -0.01 -0.08 -0.04 1.68 1.48 2zr2B1 LYS 131 HE2 -0.09 -0.02 -0.17 -0.04 2.99 2.67 2zr2B1 LYS 131 HE3 -0.13 0.16 -0.15 -0.04 2.99 2.82 2zr2B1 ALA 132 H -0.10 0.45 0.13 -0.55 8.40 8.33 2zr2B1 ALA 132 HA -0.05 0.11 0.57 -0.75 4.34 4.22 2zr2B1 ALA 132 HB3 -0.81 0.01 -0.06 -0.04 1.41 0.50 2zr2B1 ARG 133 H 0.07 0.22 0.19 -0.55 8.46 8.39 2zr2B1 ARG 133 HA -0.08 0.15 0.76 -0.75 4.34 4.42 2zr2B1 ARG 133 HB2 0.07 0.01 0.21 -0.04 1.90 2.15 2zr2B1 ARG 133 HB3 -0.03 -0.04 0.02 -0.04 1.80 1.70 2zr2B1 ARG 133 HG2 0.01 -0.04 -0.03 -0.04 1.67 1.58 2zr2B1 ARG 133 HG3 0.02 0.05 -0.00 -0.04 1.67 1.70 2zr2B1 ARG 133 HD2 0.08 0.06 0.08 -0.04 3.22 3.39 2zr2B1 ARG 133 HD3 0.06 0.08 0.12 -0.04 3.22 3.44 2zr2B1 VAL 134 H -0.13 0.73 0.30 -0.55 8.24 8.59 2zr2B1 VAL 134 HA 0.22 0.17 0.97 -0.75 4.13 4.75 2zr2B1 VAL 134 HB -0.28 -0.05 -0.06 -0.04 2.12 1.70 2zr2B1 VAL 134 HG13 -0.02 0.05 -0.21 -0.04 0.97 0.75 2zr2B1 VAL 134 HG23 -1.63 0.04 -0.35 -0.04 0.95 -1.03 2zr2B1 TRP 135 H 0.42 0.22 0.16 -0.55 7.97 8.23 2zr2B1 TRP 135 HA -0.17 0.20 0.64 -0.75 4.62 4.54 2zr2B1 TRP 135 HB2 -0.11 0.17 0.18 -0.04 3.23 3.43 2zr2B1 TRP 135 HB3 -0.18 -0.06 0.10 -0.04 3.23 3.05 2zr2B1 TRP 135 HD1 -0.18 0.31 -0.12 -0.04 7.22 7.19 2zr2B1 TRP 135 HE1 -0.05 0.10 -0.23 -0.04 10.20 9.98 2zr2B1 TRP 135 HE3 -1.45 0.06 -0.15 -0.04 7.59 6.00 2zr2B1 TRP 135 HZ2 -0.05 0.03 0.00 -0.04 7.44 7.38 2zr2B1 TRP 135 HZ3 -0.27 0.08 -0.04 -0.04 7.13 6.86 2zr2B1 TRP 135 HH2 -0.08 0.02 0.01 -0.04 7.19 7.10 2zr2B1 LYS 136 H -0.32 0.51 0.26 -0.55 8.42 8.31 2zr2B1 LYS 136 HA -0.22 0.05 0.40 -0.75 4.32 3.80 2zr2B1 LYS 136 HB2 -0.32 -0.00 0.05 -0.04 1.87 1.56 2zr2B1 LYS 136 HB3 -0.21 0.04 0.12 -0.04 1.79 1.69 2zr2B1 LYS 136 HG2 -0.51 0.16 0.19 -0.04 1.46 1.26 2zr2B1 LYS 136 HG3 -0.96 -0.08 0.06 -0.04 1.46 0.44 2zr2B1 LYS 136 HD2 -0.21 -0.03 0.02 -0.04 1.69 1.43 2zr2B1 LYS 136 HD3 -0.11 -0.01 0.06 -0.04 1.68 1.58 2zr2B1 LYS 136 HE2 0.09 0.22 0.11 -0.04 2.99 3.36 2zr2B1 LYS 136 HE3 -0.13 -0.05 0.04 -0.04 2.99 2.80 2zr2B1 GLY 137 H -2.51 0.14 -0.17 -0.55 8.43 5.35 2zr2B1 GLY 137 HA2 -0.68 0.06 0.35 -0.51 4.01 3.23 2zr2B1 GLY 137 HA3 -1.87 0.05 0.29 -0.51 4.01 1.97 2zr2B1 HIS 138 H -0.11 0.52 -0.68 -0.55 8.41 7.60 2zr2B1 HIS 138 HA 0.12 0.19 0.94 -0.75 4.63 5.13 2zr2B1 HIS 138 HB2 0.32 0.06 0.06 -0.04 3.26 3.66 2zr2B1 HIS 138 HB3 0.35 0.01 0.18 -0.04 3.20 3.70 2zr2B1 HIS 138 HD2 0.23 0.05 -0.06 -0.04 6.97 7.15 2zr2B1 HIS 138 HE1 -0.02 0.26 -0.09 -0.04 7.75 7.87 2zr2B1 LEU 139 H -0.03 0.53 -0.04 -0.55 8.37 8.28 2zr2B1 LEU 139 HA 0.04 0.02 0.30 -0.75 4.35 3.97 2zr2B1 LEU 139 HB2 -0.05 0.10 0.19 -0.04 1.64 1.83 2zr2B1 LEU 139 HB3 -0.04 -0.01 0.11 -0.04 1.64 1.67 2zr2B1 LEU 139 HG 0.01 0.00 -0.00 -0.04 1.64 1.61 2zr2B1 LEU 139 HD13 0.01 -0.00 -0.24 -0.04 0.93 0.65 2zr2B1 LEU 139 HD23 0.04 -0.02 -0.00 -0.04 0.89 0.87 2zr2B1 GLU 140 H 0.03 0.16 -0.21 -0.55 8.60 8.03 2zr2B1 GLU 140 HA 0.01 0.09 0.40 -0.75 4.29 4.03 2zr2B1 GLU 140 HB2 0.01 0.02 0.08 -0.04 2.09 2.15 2zr2B1 GLU 140 HB3 0.04 0.00 0.07 -0.04 1.99 2.05 2zr2B1 GLU 140 HG2 0.01 0.01 -0.16 -0.04 2.34 2.16 2zr2B1 GLU 140 HG3 0.00 0.00 0.02 -0.04 2.34 2.33 2zr2B1 ARG 141 H 0.11 0.15 -0.06 -0.55 8.46 8.10 2zr2B1 ARG 141 HA 0.07 0.02 0.44 -0.75 4.34 4.11 2zr2B1 ARG 141 HB2 0.11 -0.05 0.16 -0.04 1.90 2.07 2zr2B1 ARG 141 HB3 0.18 0.19 0.18 -0.04 1.80 2.31 2zr2B1 ARG 141 HG2 0.13 0.06 0.02 -0.04 1.67 1.85 2zr2B1 ARG 141 HG3 0.08 -0.07 0.10 -0.04 1.67 1.73 2zr2B1 ARG 141 HD2 0.02 -0.05 -0.00 -0.04 3.22 3.15 2zr2B1 ARG 141 HD3 0.05 -0.06 0.04 -0.04 3.22 3.21 2zr2B1 PHE 142 H 0.23 0.57 -0.18 -0.55 8.34 8.41 2zr2B1 PHE 142 HA 0.07 0.03 0.30 -0.75 4.62 4.26 2zr2B1 PHE 142 HB2 -0.22 0.01 -0.05 -0.04 3.15 2.84 2zr2B1 PHE 142 HB3 -0.23 0.05 0.02 -0.04 3.06 2.86 2zr2B1 PHE 142 HD2 -1.71 0.00 -0.20 -0.04 7.28 5.34 2zr2B1 PHE 142 HE2 -1.03 0.01 -0.15 -0.04 7.38 6.18 2zr2B1 PHE 142 HZ -0.41 0.14 -0.14 -0.04 7.32 6.87 2zr2B1 LEU 143 H -0.01 0.64 -0.05 -0.55 8.37 8.40 2zr2B1 LEU 143 HA -0.39 -0.07 0.42 -0.75 4.35 3.55 2zr2B1 LEU 143 HB2 -0.05 0.11 0.15 -0.04 1.64 1.81 2zr2B1 LEU 143 HB3 -0.09 -0.03 -0.02 -0.04 1.64 1.46 2zr2B1 LEU 143 HG -0.01 0.03 0.05 -0.04 1.64 1.67 2zr2B1 LEU 143 HD13 0.02 -0.02 -0.05 -0.04 0.93 0.84 2zr2B1 LEU 143 HD23 -0.07 -0.01 -0.01 -0.04 0.89 0.75 2zr2B1 GLU 144 H -0.06 0.62 -0.21 -0.55 8.60 8.41 2zr2B1 GLU 144 HA -0.05 -0.01 0.40 -0.75 4.29 3.88 2zr2B1 GLU 144 HB2 -0.00 0.22 0.16 -0.04 2.09 2.44 2zr2B1 GLU 144 HB3 0.02 0.07 0.24 -0.04 1.99 2.28 2zr2B1 GLU 144 HG2 -0.01 -0.03 0.04 -0.04 2.34 2.31 2zr2B1 GLU 144 HG3 0.01 -0.07 -0.01 -0.04 2.34 2.23 2zr2B1 GLN 145 H 0.00 0.72 0.05 -0.55 8.47 8.70 2zr2B1 GLN 145 HA 0.01 0.10 0.50 -0.75 4.36 4.21 2zr2B1 GLN 145 HB2 0.35 0.07 0.10 -0.04 2.15 2.62 2zr2B1 GLN 145 HB3 0.24 -0.06 0.04 -0.04 2.02 2.20 2zr2B1 GLN 145 HG2 0.11 0.02 0.05 -0.04 2.40 2.54 2zr2B1 GLN 145 HG3 0.11 -0.01 0.07 -0.04 2.39 2.52 2zr2B1 GLN 145 HE21 0.11 -0.04 0.05 -0.04 6.97 7.06 2zr2B1 GLN 145 HE22 0.12 0.02 0.05 -0.04 7.69 7.84 2zr2B1 SER 146 H -0.33 0.46 -0.28 -0.55 8.46 7.77 2zr2B1 SER 146 HA -0.24 0.14 0.67 -0.75 4.49 4.31 2zr2B1 SER 146 HB2 -0.61 -0.09 0.09 -0.04 3.95 3.30 2zr2B1 SER 146 HB3 -1.18 0.09 0.04 -0.04 3.93 2.83 2zr2B1 GLN 147 H -0.20 0.44 -0.33 -0.55 8.47 7.84 2zr2B1 GLN 147 HA -0.12 0.09 0.32 -0.75 4.36 3.89 2zr2B1 GLN 147 HB2 -0.26 0.18 -0.27 -0.04 2.15 1.76 2zr2B1 GLN 147 HB3 -0.12 -0.06 0.15 -0.04 2.02 1.95 2zr2B1 GLN 147 HG2 -0.02 -0.03 0.04 -0.04 2.40 2.35 2zr2B1 GLN 147 HG3 0.02 0.09 -0.13 -0.04 2.39 2.33 2zr2B1 GLN 147 HE21 0.09 0.07 0.03 -0.04 6.97 7.12 2zr2B1 GLN 147 HE22 0.08 0.04 0.02 -0.04 7.69 7.78 2zr2B1 GLY 148 H -0.33 0.04 -0.51 -0.55 8.43 7.09 2zr2B1 GLY 148 HA2 -0.15 -0.04 0.24 -0.51 4.01 3.55 2zr2B1 GLY 148 HA3 -0.11 0.04 0.39 -0.51 4.01 3.82 2zr2B1 LYS 149 H -0.51 0.53 -0.24 -0.55 8.42 7.64 2zr2B1 LYS 149 HA -0.18 0.17 0.82 -0.75 4.32 4.38 2zr2B1 LYS 149 HB2 -0.89 0.13 0.02 -0.04 1.87 1.09 2zr2B1 LYS 149 HB3 -0.23 -0.09 0.14 -0.04 1.79 1.56 2zr2B1 LYS 149 HG2 -0.12 -0.02 -0.07 -0.04 1.46 1.21 2zr2B1 LYS 149 HG3 -0.21 0.14 -0.19 -0.04 1.46 1.17 2zr2B1 LYS 149 HD2 0.08 0.02 -0.06 -0.04 1.69 1.69 2zr2B1 LYS 149 HD3 0.03 -0.07 -0.02 -0.04 1.68 1.58 2zr2B1 LYS 149 HE2 -0.01 -0.04 -0.02 -0.04 2.99 2.88 2zr2B1 LYS 149 HE3 -0.01 0.03 -0.02 -0.04 2.99 2.95 2zr2B1 MET 150 H -0.24 0.07 -0.18 -0.55 8.47 7.58 2zr2B1 MET 150 HA -0.11 0.15 0.98 -0.75 4.52 4.78 2zr2B1 MET 150 HB2 -0.36 0.00 -0.12 -0.04 2.15 1.63 2zr2B1 MET 150 HB3 -0.07 -0.07 0.04 -0.04 2.03 1.89 2zr2B1 MET 150 HG2 0.07 0.17 -0.10 -0.04 2.63 2.72 2zr2B1 MET 150 HG3 0.01 -0.00 0.00 -0.04 2.56 2.53 2zr2B1 MET 150 HE3 0.21 -0.03 -0.12 -0.04 2.10 2.12 2zr2B1 GLU 151 H -0.06 0.13 0.11 -0.55 8.60 8.23 2zr2B1 GLU 151 HA 0.02 0.02 0.35 -0.75 4.29 3.94 2zr2B1 GLU 151 HB2 -0.10 0.00 0.11 -0.04 2.09 2.06 2zr2B1 GLU 151 HB3 -0.10 -0.02 -0.06 -0.04 1.99 1.78 2zr2B1 GLU 151 HG2 -0.09 -0.01 0.01 -0.04 2.34 2.21 2zr2B1 GLU 151 HG3 -0.09 0.00 0.10 -0.04 2.34 2.31 2zr2B1 TYR 152 H -0.13 0.20 0.23 -0.55 8.29 8.03 2zr2B1 TYR 152 HA -0.23 0.11 0.42 -0.75 4.56 4.11 2zr2B1 TYR 152 HB2 -0.65 0.09 0.17 -0.04 3.06 2.63 2zr2B1 TYR 152 HB3 -0.36 0.17 -0.27 -0.04 2.98 2.48 2zr2B1 TYR 152 HD2 -0.27 0.09 -0.18 -0.04 7.15 6.75 2zr2B1 TYR 152 HE2 -0.10 -0.02 -0.11 -0.04 6.85 6.57 2zr2B1 GLU 153 H -0.09 0.51 0.28 -0.55 8.60 8.75 2zr2B1 GLU 153 HA -0.32 0.04 0.61 -0.75 4.29 3.87 2zr2B1 GLU 153 HB2 -0.10 0.01 0.07 -0.04 2.09 2.03 2zr2B1 GLU 153 HB3 -0.14 0.09 -0.10 -0.04 1.99 1.80 2zr2B1 GLU 153 HG2 -0.08 0.06 -0.17 -0.04 2.34 2.11 2zr2B1 GLU 153 HG3 -0.07 -0.09 -0.02 -0.04 2.34 2.11 2zr2B1 ILE 154 H -0.13 0.11 0.16 -0.55 8.25 7.84 2zr2B1 ILE 154 HA -0.04 0.35 0.82 -0.75 4.18 4.56 2zr2B1 ILE 154 HB -0.05 -0.04 0.05 -0.04 1.89 1.80 2zr2B1 ILE 154 HG12 -0.09 -0.07 0.02 -0.04 1.49 1.30 2zr2B1 ILE 154 HG13 -0.03 0.00 0.00 -0.04 1.21 1.14 2zr2B1 ILE 154 HG23 -0.07 0.02 -0.07 -0.04 0.93 0.77 2zr2B1 ILE 154 HD13 0.14 0.01 -0.12 -0.04 0.88 0.87 2zr2B1 LEU 155 H -0.03 0.65 0.38 -0.55 8.37 8.83 2zr2B1 LEU 155 HA -0.05 0.13 0.91 -0.75 4.35 4.59 2zr2B1 LEU 155 HB2 -0.22 -0.00 0.01 -0.04 1.64 1.38 2zr2B1 LEU 155 HB3 -0.78 -0.05 0.03 -0.04 1.64 0.81 2zr2B1 LEU 155 HG -0.14 -0.00 -0.23 -0.04 1.64 1.22 2zr2B1 LEU 155 HD13 -0.59 0.01 -0.14 -0.04 0.93 0.17 2zr2B1 LEU 155 HD23 -0.05 0.02 -0.06 -0.04 0.89 0.76 2zr2B1 GLU 156 H 0.13 0.16 0.17 -0.55 8.60 8.52 2zr2B1 GLU 156 HA 0.10 0.08 0.62 -0.75 4.29 4.34 2zr2B1 GLU 156 HB2 0.21 -0.01 0.12 -0.04 2.09 2.37 2zr2B1 GLU 156 HB3 0.15 0.01 0.08 -0.04 1.99 2.19 2zr2B1 GLU 156 HG2 0.07 0.02 -0.00 -0.04 2.34 2.38 2zr2B1 GLU 156 HG3 0.07 0.02 0.03 -0.04 2.34 2.42 2zr2B1 TRP 157 H 0.14 0.01 -0.07 -0.55 7.97 7.50 2zr2B1 TRP 157 HA 0.12 0.17 0.76 -0.75 4.62 4.92 2zr2B1 TRP 157 HB2 0.00 0.08 -0.01 -0.04 3.23 3.26 2zr2B1 TRP 157 HB3 0.04 -0.01 0.01 -0.04 3.23 3.24 2zr2B1 TRP 157 HD1 0.05 -0.08 0.06 -0.04 7.22 7.21 2zr2B1 TRP 157 HE1 0.04 0.04 0.01 -0.04 10.20 10.24 2zr2B1 TRP 157 HE3 -0.05 0.15 -0.46 -0.04 7.59 7.19 2zr2B1 TRP 157 HZ2 0.04 0.08 -0.11 -0.04 7.44 7.40 2zr2B1 TRP 157 HZ3 -0.03 -0.03 -0.17 -0.04 7.13 6.86 2zr2B1 TRP 157 HH2 0.02 0.13 -0.53 -0.04 7.19 6.77 2zr2B1 LYS 158 H 0.09 0.13 0.09 -0.55 8.42 8.17 2zr2B1 LYS 158 HA -1.29 0.15 0.68 -0.75 4.32 3.10 2zr2B1 LYS 158 HB2 -0.66 -0.05 0.10 -0.04 1.87 1.22 2zr2B1 LYS 158 HB3 -0.39 -0.03 0.12 -0.04 1.79 1.44 2zr2B1 LYS 158 HG2 -0.92 0.25 -0.09 -0.04 1.46 0.67 2zr2B1 LYS 158 HG3 -3.11 -0.06 0.03 -0.04 1.46 -1.72 2zr2B1 LYS 158 HD2 -0.83 -0.05 0.01 -0.04 1.69 0.78 2zr2B1 LYS 158 HD3 -0.46 -0.05 -0.01 -0.04 1.68 1.12 2zr2B1 LYS 158 HE2 -0.47 0.12 0.00 -0.04 2.99 2.60 2zr2B1 LYS 158 HE3 -0.98 -0.02 -0.01 -0.04 2.99 1.94 2zr2B1 PRO 159 HA -0.03 0.02 0.37 -0.51 4.44 4.29 2zr2B1 PRO 159 HB2 -0.16 0.05 -0.14 -0.04 2.28 1.98 2zr2B1 PRO 159 HB3 -0.57 0.04 -0.02 -0.04 2.02 1.43 2zr2B1 PRO 159 HG2 -0.18 0.13 -0.14 -0.04 2.03 1.80 2zr2B1 PRO 159 HG3 -0.14 0.02 -0.06 -0.04 2.03 1.80 2zr2B1 PRO 159 HD2 -0.64 -0.02 0.26 -0.04 3.68 3.24 2zr2B1 PRO 159 HD3 -0.59 0.22 0.17 -0.04 3.65 3.41 2zr2B1 LYS 160 H 0.13 0.12 0.12 -0.55 8.42 8.24 2zr2B1 LYS 160 HA -0.07 0.17 0.59 -0.75 4.32 4.25 2zr2B1 LYS 160 HB2 0.04 -0.01 -0.01 -0.04 1.87 1.85 2zr2B1 LYS 160 HB3 -0.01 -0.11 0.12 -0.04 1.79 1.75 2zr2B1 LYS 160 HG2 0.04 0.08 -0.00 -0.04 1.46 1.53 2zr2B1 LYS 160 HG3 0.16 0.03 0.09 -0.04 1.46 1.70 2zr2B1 LYS 160 HD2 0.03 -0.05 -0.03 -0.04 1.69 1.59 2zr2B1 LYS 160 HD3 0.01 -0.03 -0.00 -0.04 1.68 1.62 2zr2B1 LYS 160 HE2 0.00 0.02 -0.04 -0.04 2.99 2.93 2zr2B1 LYS 160 HE3 0.04 0.02 0.01 -0.04 2.99 3.01 2zr2B1 LEU 161 H -0.07 0.13 0.17 -0.55 8.37 8.06 2zr2B1 LEU 161 HA -0.06 0.11 0.60 -0.75 4.35 4.25 2zr2B1 LEU 161 HB2 -0.10 -0.06 0.13 -0.04 1.64 1.57 2zr2B1 LEU 161 HB3 -0.10 -0.11 0.06 -0.04 1.64 1.45 2zr2B1 LEU 161 HG -0.09 0.10 0.02 -0.04 1.64 1.62 2zr2B1 LEU 161 HD13 -0.09 0.01 -0.00 -0.04 0.93 0.80 2zr2B1 LEU 161 HD23 -0.11 0.02 -0.27 -0.04 0.89 0.49 2zr2B1 HIS 162 H 0.11 0.20 0.15 -0.55 8.41 8.33 2zr2B1 HIS 162 HA 0.00 0.15 0.24 -0.75 4.63 4.28 2zr2B1 HIS 162 HB2 0.02 0.12 0.11 -0.04 3.26 3.47 2zr2B1 HIS 162 HB3 -0.03 0.09 0.19 -0.04 3.20 3.40 2zr2B1 HIS 162 HD2 0.05 0.11 -0.20 -0.04 6.97 6.89 2zr2B1 HIS 162 HE1 -0.03 -0.08 -0.01 -0.04 7.75 7.58 2zr2B1 VAL 163 H -0.57 0.06 -0.35 -0.55 8.24 6.82 2zr2B1 VAL 163 HA -0.40 0.07 0.34 -0.75 4.13 3.39 2zr2B1 VAL 163 HB -0.25 0.07 -0.07 -0.04 2.12 1.83 2zr2B1 VAL 163 HG13 -0.39 0.03 -0.11 -0.04 0.97 0.46 2zr2B1 VAL 163 HG23 -0.48 -0.05 -0.03 -0.04 0.95 0.34 2zr2B1 ASP 164 H -0.13 0.30 -0.17 -0.55 8.40 7.86 2zr2B1 ASP 164 HA -0.04 0.09 0.48 -0.75 4.63 4.41 2zr2B1 ASP 164 HB2 -0.03 0.08 0.09 -0.04 2.71 2.80 2zr2B1 ASP 164 HB3 -0.03 0.05 0.06 -0.04 2.70 2.73 2zr2B1 LEU 165 H -0.02 0.35 -0.12 -0.55 8.37 8.03 2zr2B1 LEU 165 HA 0.02 0.09 0.37 -0.75 4.35 4.09 2zr2B1 LEU 165 HB2 0.06 -0.04 0.04 -0.04 1.64 1.65 2zr2B1 LEU 165 HB3 0.06 0.08 -0.06 -0.04 1.64 1.68 2zr2B1 LEU 165 HG 0.04 -0.10 -0.15 -0.04 1.64 1.39 2zr2B1 LEU 165 HD13 0.08 0.01 -0.25 -0.04 0.93 0.73 2zr2B1 LEU 165 HD23 0.06 0.03 0.01 -0.04 0.89 0.95 2zr2B1 LEU 166 H 0.03 0.61 -0.27 -0.55 8.37 8.18 2zr2B1 LEU 166 HA 0.06 0.01 0.26 -0.75 4.35 3.93 2zr2B1 LEU 166 HB2 0.12 0.16 0.07 -0.04 1.64 1.94 2zr2B1 LEU 166 HB3 0.14 -0.08 -0.13 -0.04 1.64 1.53 2zr2B1 LEU 166 HG 0.15 0.09 -0.02 -0.04 1.64 1.82 2zr2B1 LEU 166 HD13 0.26 -0.04 -0.13 -0.04 0.93 0.98 2zr2B1 LEU 166 HD23 0.08 0.01 -0.11 -0.04 0.89 0.82 2zr2B1 GLU 167 H 0.04 0.31 -0.45 -0.55 8.60 7.96 2zr2B1 GLU 167 HA 0.05 0.03 0.58 -0.75 4.29 4.19 2zr2B1 GLU 167 HB2 0.03 0.08 0.25 -0.04 2.09 2.41 2zr2B1 GLU 167 HB3 0.02 0.03 0.07 -0.04 1.99 2.06 2zr2B1 GLU 167 HG2 0.08 -0.03 0.09 -0.04 2.34 2.44 2zr2B1 GLU 167 HG3 0.05 -0.03 0.06 -0.04 2.34 2.38 2zr2B1 ILE 168 H 0.01 0.55 0.11 -0.55 8.25 8.37 2zr2B1 ILE 168 HA 0.00 0.05 0.50 -0.75 4.18 3.98 2zr2B1 ILE 168 HB -0.00 -0.03 0.14 -0.04 1.89 1.96 2zr2B1 ILE 168 HG12 -0.00 -0.08 -0.24 -0.04 1.49 1.13 2zr2B1 ILE 168 HG13 -0.01 0.02 0.06 -0.04 1.21 1.24 2zr2B1 ILE 168 HG23 0.01 0.00 0.07 -0.04 0.93 0.97 2zr2B1 ILE 168 HD13 0.01 0.02 -0.05 -0.04 0.88 0.82 2zr2B1 LEU 169 H 0.02 0.48 -0.36 -0.55 8.37 7.97 2zr2B1 LEU 169 HA -0.01 0.14 0.48 -0.75 4.35 4.21 2zr2B1 LEU 169 HB2 0.03 0.29 -0.00 -0.04 1.64 1.92 2zr2B1 LEU 169 HB3 0.01 -0.14 -0.11 -0.04 1.64 1.36 2zr2B1 LEU 169 HG -0.00 -0.08 -0.14 -0.04 1.64 1.38 2zr2B1 LEU 169 HD13 0.01 0.04 -0.25 -0.04 0.93 0.69 2zr2B1 LEU 169 HD23 0.05 -0.03 -0.10 -0.04 0.89 0.77 2zr2B1 GLY 170 H 0.01 0.31 -0.36 -0.55 8.43 7.84 2zr2B1 GLY 170 HA2 0.00 0.04 0.34 -0.51 4.01 3.88 2zr2B1 GLY 170 HA3 -0.01 0.03 0.44 -0.51 4.01 3.95 2zr2B1 GLY 171 H 0.02 0.50 0.01 -0.55 8.43 8.41 2zr2B1 GLY 171 HA2 0.00 0.27 0.76 -0.51 4.01 4.53 2zr2B1 GLY 171 HA3 0.01 -0.03 0.31 -0.51 4.01 3.79 2zr2B1 ALA 172 H -0.00 0.30 -0.09 -0.55 8.40 8.07 2zr2B1 ALA 172 HA -0.05 0.23 0.58 -0.75 4.34 4.35 2zr2B1 ALA 172 HB3 -0.22 0.01 -0.08 -0.04 1.41 1.08 2zr2B1 ASP 173 H -0.12 0.55 0.23 -0.55 8.40 8.51 2zr2B1 ASP 173 HA -0.01 0.15 0.83 -0.75 4.63 4.85 2zr2B1 ASP 173 HB2 -0.08 0.11 -0.07 -0.04 2.71 2.63 2zr2B1 ASP 173 HB3 -0.12 0.00 0.14 -0.04 2.70 2.68 2zr2B1 PHE 174 H 0.22 0.18 0.14 -0.55 8.34 8.33 2zr2B1 PHE 174 HA 0.19 0.23 0.94 -0.75 4.62 5.23 2zr2B1 PHE 174 HB2 0.06 -0.03 0.15 -0.04 3.15 3.30 2zr2B1 PHE 174 HB3 0.10 0.09 0.08 -0.04 3.06 3.28 2zr2B1 PHE 174 HD2 0.10 0.07 0.04 -0.04 7.28 7.45 2zr2B1 PHE 174 HE2 0.05 0.10 -0.13 -0.04 7.38 7.36 2zr2B1 PHE 174 HZ 0.01 -0.13 -0.20 -0.04 7.32 6.96 2zr2B1 ALA 175 H 0.18 0.07 0.13 -0.55 8.40 8.24 2zr2B1 ALA 175 HA 0.13 0.14 0.41 -0.75 4.34 4.27 2zr2B1 ALA 175 HB3 0.07 0.03 0.10 -0.04 1.41 1.57 2zr2B1 ARG 176 H 0.04 0.06 -0.21 -0.55 8.46 7.79 2zr2B1 ARG 176 HA 0.04 0.12 0.45 -0.75 4.34 4.20 2zr2B1 ARG 176 HB2 -0.24 -0.01 -0.01 -0.04 1.90 1.61 2zr2B1 ARG 176 HB3 -0.17 0.07 -0.01 -0.04 1.80 1.65 2zr2B1 ARG 176 HG2 -0.04 0.05 -0.01 -0.04 1.67 1.62 2zr2B1 ARG 176 HG3 -0.06 -0.08 0.01 -0.04 1.67 1.50 2zr2B1 ARG 176 HD2 -0.20 -0.00 -0.01 -0.04 3.22 2.97 2zr2B1 ARG 176 HD3 -0.18 0.04 -0.02 -0.04 3.22 3.02 2zr2B1 ALA 177 H 0.25 0.12 -0.42 -0.55 8.40 7.80 2zr2B1 ALA 177 HA 0.36 0.05 0.34 -0.75 4.34 4.34 2zr2B1 ALA 177 HB3 0.26 0.03 -0.15 -0.04 1.41 1.52 2zr2B1 ALA 178 H 0.19 0.40 -0.30 -0.55 8.40 8.15 2zr2B1 ALA 178 HA 0.18 0.36 0.36 -0.75 4.34 4.48 2zr2B1 ALA 178 HB3 0.14 0.01 0.03 -0.04 1.41 1.56 2zr2B1 LYS 179 H 0.10 0.25 -0.25 -0.55 8.42 7.97 2zr2B1 LYS 179 HA 0.05 0.03 0.41 -0.75 4.32 4.05 2zr2B1 LYS 179 HB2 0.05 -0.04 0.11 -0.04 1.87 1.95 2zr2B1 LYS 179 HB3 0.06 0.11 0.22 -0.04 1.79 2.13 2zr2B1 LYS 179 HG2 0.03 0.05 -0.16 -0.04 1.46 1.34 2zr2B1 LYS 179 HG3 0.03 -0.04 0.00 -0.04 1.46 1.41 2zr2B1 LYS 179 HD2 0.02 0.03 -0.05 -0.04 1.69 1.65 2zr2B1 LYS 179 HD3 0.01 -0.02 -0.04 -0.04 1.68 1.59 2zr2B1 LYS 179 HE2 0.01 -0.01 -0.02 -0.04 2.99 2.93 2zr2B1 LYS 179 HE3 0.01 -0.04 0.02 -0.04 2.99 2.94 2zr2B1 VAL 180 H 0.09 0.52 -0.06 -0.55 8.24 8.24 2zr2B1 VAL 180 HA 0.01 0.04 0.43 -0.75 4.13 3.86 2zr2B1 VAL 180 HB 0.17 0.16 0.16 -0.04 2.12 2.57 2zr2B1 VAL 180 HG13 -0.05 -0.01 -0.17 -0.04 0.97 0.70 2zr2B1 VAL 180 HG23 0.10 -0.04 0.00 -0.04 0.95 0.97 2zr2B1 SER 181 H 0.01 0.49 -0.03 -0.55 8.46 8.38 2zr2B1 SER 181 HA -0.19 0.16 0.96 -0.75 4.49 4.68 2zr2B1 SER 181 HB2 -0.42 0.06 -0.02 -0.04 3.95 3.53 2zr2B1 SER 181 HB3 -1.13 -0.04 0.01 -0.04 3.93 2.74 2zr2B1 GLY 182 H 0.11 0.17 0.24 -0.55 8.43 8.39 2zr2B1 GLY 182 HA2 0.13 0.07 0.38 -0.51 4.01 4.08 2zr2B1 GLY 182 HA3 0.19 0.21 0.96 -0.51 4.01 4.86 2zr2B1 SER 183 H 0.20 0.13 0.16 -0.55 8.46 8.40 2zr2B1 SER 183 HA 0.21 0.06 0.58 -0.75 4.49 4.58 2zr2B1 SER 183 HB2 0.11 -0.07 0.14 -0.04 3.95 4.09 2zr2B1 SER 183 HB3 0.12 -0.00 0.13 -0.04 3.93 4.14 2zr2B1 ARG 184 H 0.14 0.10 0.18 -0.55 8.46 8.33 2zr2B1 ARG 184 HA 0.07 0.04 0.34 -0.75 4.34 4.04 2zr2B1 ARG 184 HB2 -0.26 0.22 -0.13 -0.04 1.90 1.69 2zr2B1 ARG 184 HB3 -0.39 -0.08 0.24 -0.04 1.80 1.53 2zr2B1 ARG 184 HG2 -0.03 -0.03 0.05 -0.04 1.67 1.63 2zr2B1 ARG 184 HG3 0.00 -0.04 -0.17 -0.04 1.67 1.42 2zr2B1 ARG 184 HD2 -0.15 0.24 0.01 -0.04 3.22 3.28 2zr2B1 ARG 184 HD3 -0.05 -0.16 -0.08 -0.04 3.22 2.89 2zr2B1 PHE 185 H 0.30 0.16 -0.23 -0.55 8.34 8.01 2zr2B1 PHE 185 HA -0.00 0.08 0.69 -0.75 4.62 4.63 2zr2B1 PHE 185 HB2 0.07 0.24 -0.21 -0.04 3.15 3.21 2zr2B1 PHE 185 HB3 -0.10 -0.07 -0.01 -0.04 3.06 2.84 2zr2B1 PHE 185 HD2 -0.02 0.01 -0.25 -0.04 7.28 6.98 2zr2B1 PHE 185 HE2 -0.04 0.01 -0.09 -0.04 7.38 7.22 2zr2B1 PHE 185 HZ -0.12 0.00 -0.05 -0.04 7.32 7.11 2zr2B1 TYR 186 H -0.41 0.33 0.19 -0.55 8.29 7.85 2zr2B1 TYR 186 HA 0.05 0.10 0.67 -0.75 4.56 4.63 2zr2B1 TYR 186 HB2 -0.40 -0.05 -0.08 -0.04 3.06 2.49 2zr2B1 TYR 186 HB3 0.08 0.16 -0.30 -0.04 2.98 2.88 2zr2B1 TYR 186 HD2 0.02 -0.01 -0.53 -0.04 7.15 6.59 2zr2B1 TYR 186 HE2 -0.03 0.05 -0.02 -0.04 6.85 6.81 2zr2B1 TYR 187 H 0.11 0.32 0.23 -0.55 8.29 8.40 2zr2B1 TYR 187 HA 0.01 0.21 0.90 -0.75 4.56 4.93 2zr2B1 TYR 187 HB2 -0.05 -0.10 0.20 -0.04 3.06 3.07 2zr2B1 TYR 187 HB3 -0.01 0.09 -0.05 -0.04 2.98 2.97 2zr2B1 TYR 187 HD2 -0.01 0.01 -0.05 -0.04 7.15 7.06 2zr2B1 TYR 187 HE2 -0.01 0.01 -0.26 -0.04 6.85 6.55 2zr2B1 LEU 188 H 0.17 0.20 0.11 -0.55 8.37 8.31 2zr2B1 LEU 188 HA 0.04 0.24 0.86 -0.75 4.35 4.73 2zr2B1 LEU 188 HB2 0.15 -0.02 0.09 -0.04 1.64 1.81 2zr2B1 LEU 188 HB3 0.08 -0.01 -0.11 -0.04 1.64 1.55 2zr2B1 LEU 188 HG -0.01 0.06 -0.02 -0.04 1.64 1.62 2zr2B1 LEU 188 HD13 -0.17 0.00 -0.13 -0.04 0.93 0.59 2zr2B1 LEU 188 HD23 0.02 -0.00 -0.05 -0.04 0.89 0.81 2zr2B1 LEU 189 H 0.03 0.68 -0.08 -0.55 8.37 8.45 2zr2B1 LEU 189 HA 0.05 0.20 0.92 -0.75 4.35 4.77 2zr2B1 LEU 189 HB2 0.01 0.11 -0.15 -0.04 1.64 1.56 2zr2B1 LEU 189 HB3 0.01 -0.02 0.04 -0.04 1.64 1.64 2zr2B1 LEU 189 HG 0.04 -0.10 -0.79 -0.04 1.64 0.75 2zr2B1 LEU 189 HD13 -0.03 -0.01 -0.27 -0.04 0.93 0.58 2zr2B1 LEU 189 HD23 0.04 0.04 -0.12 -0.04 0.89 0.81 2zr2B1 ASN 190 H 0.02 0.15 0.16 -0.55 8.53 8.31 2zr2B1 ASN 190 HA 0.01 0.07 0.38 -0.75 4.76 4.46 2zr2B1 ASN 190 HB2 -0.03 0.19 -0.02 -0.04 2.88 2.97 2zr2B1 ASN 190 HB3 -0.05 -0.03 0.24 -0.04 2.79 2.91 2zr2B1 ASN 190 HD21 -0.01 -0.07 0.04 -0.04 7.03 6.95 2zr2B1 ASN 190 HD22 -0.02 0.70 0.07 -0.04 7.74 8.45 2zr2B1 GLU 191 H -0.11 0.26 0.20 -0.55 8.60 8.40 2zr2B1 GLU 191 HA -0.01 0.02 0.38 -0.75 4.29 3.92 2zr2B1 GLU 191 HB2 -0.63 0.03 0.05 -0.04 2.09 1.50 2zr2B1 GLU 191 HB3 -0.93 0.04 0.15 -0.04 1.99 1.21 2zr2B1 GLU 191 HG2 -0.16 0.02 0.05 -0.04 2.34 2.21 2zr2B1 GLU 191 HG3 -0.35 0.03 0.03 -0.04 2.34 2.02 2zr2B1 ILE 192 H 0.01 0.45 -0.34 -0.55 8.25 7.82 2zr2B1 ILE 192 HA 0.09 0.09 0.56 -0.75 4.18 4.17 2zr2B1 ILE 192 HB 0.03 0.21 0.20 -0.04 1.89 2.29 2zr2B1 ILE 192 HG12 0.02 0.02 0.02 -0.04 1.49 1.50 2zr2B1 ILE 192 HG13 0.04 -0.03 0.04 -0.04 1.21 1.22 2zr2B1 ILE 192 HG23 0.04 -0.02 -0.02 -0.04 0.93 0.89 2zr2B1 ILE 192 HD13 0.07 0.01 -0.09 -0.04 0.88 0.83 2zr2B1 VAL 193 H 0.07 0.57 -0.29 -0.55 8.24 8.04 2zr2B1 VAL 193 HA 0.09 0.03 0.38 -0.75 4.13 3.87 2zr2B1 VAL 193 HB 0.08 0.17 0.02 -0.04 2.12 2.35 2zr2B1 VAL 193 HG13 0.09 -0.01 -0.13 -0.04 0.97 0.88 2zr2B1 VAL 193 HG23 0.07 -0.04 -0.29 -0.04 0.95 0.65 2zr2B1 ILE 194 H 0.15 0.24 -0.18 -0.55 8.25 7.91 2zr2B1 ILE 194 HA 0.13 0.07 0.41 -0.75 4.18 4.04 2zr2B1 ILE 194 HB 0.45 0.06 0.10 -0.04 1.89 2.47 2zr2B1 ILE 194 HG12 0.16 -0.03 -0.03 -0.04 1.49 1.55 2zr2B1 ILE 194 HG13 0.24 0.05 0.02 -0.04 1.21 1.48 2zr2B1 ILE 194 HG23 0.14 0.03 -0.00 -0.04 0.93 1.06 2zr2B1 ILE 194 HD13 0.11 0.00 -0.05 -0.04 0.88 0.90 2zr2B1 LEU 195 H 0.24 0.46 -0.25 -0.55 8.37 8.27 2zr2B1 LEU 195 HA 0.11 0.06 0.34 -0.75 4.35 4.10 2zr2B1 LEU 195 HB2 0.29 0.06 0.08 -0.04 1.64 2.03 2zr2B1 LEU 195 HB3 0.16 0.04 0.16 -0.04 1.64 1.95 2zr2B1 LEU 195 HG 0.09 -0.04 -0.25 -0.04 1.64 1.39 2zr2B1 LEU 195 HD13 0.07 -0.00 -0.04 -0.04 0.93 0.92 2zr2B1 LEU 195 HD23 0.13 -0.00 -0.05 -0.04 0.89 0.93 2zr2B1 ASP 196 H 0.11 0.49 -0.36 -0.55 8.40 8.09 2zr2B1 ASP 196 HA 0.08 -0.03 0.37 -0.75 4.63 4.29 2zr2B1 ASP 196 HB2 0.07 0.12 0.14 -0.04 2.71 3.01 2zr2B1 ASP 196 HB3 0.11 0.16 0.16 -0.04 2.70 3.09 2zr2B1 LEU 197 H 0.10 0.52 -0.12 -0.55 8.37 8.32 2zr2B1 LEU 197 HA 0.06 -0.03 0.43 -0.75 4.35 4.06 2zr2B1 LEU 197 HB2 0.08 0.12 0.12 -0.04 1.64 1.91 2zr2B1 LEU 197 HB3 0.05 -0.04 0.05 -0.04 1.64 1.67 2zr2B1 LEU 197 HG 0.10 0.25 0.12 -0.04 1.64 2.07 2zr2B1 LEU 197 HD13 0.07 -0.01 -0.02 -0.04 0.93 0.93 2zr2B1 LEU 197 HD23 0.08 -0.03 -0.04 -0.04 0.89 0.86 2zr2B1 ALA 198 H 0.05 0.73 -0.18 -0.55 8.40 8.45 2zr2B1 ALA 198 HA -0.03 0.00 0.35 -0.75 4.34 3.91 2zr2B1 ALA 198 HB3 0.02 0.04 -0.02 -0.04 1.41 1.40 2zr2B1 LEU 199 H 0.01 0.51 -0.34 -0.55 8.37 8.00 2zr2B1 LEU 199 HA 0.00 0.06 0.47 -0.75 4.35 4.14 2zr2B1 LEU 199 HB2 0.03 0.11 0.13 -0.04 1.64 1.87 2zr2B1 LEU 199 HB3 0.02 -0.10 -0.05 -0.04 1.64 1.46 2zr2B1 LEU 199 HG 0.00 0.12 -0.02 -0.04 1.64 1.70 2zr2B1 LEU 199 HD13 0.04 -0.03 -0.12 -0.04 0.93 0.78 2zr2B1 LEU 199 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.76 2zr2B1 ILE 200 H 0.01 0.42 -0.13 -0.55 8.25 8.00 2zr2B1 ILE 200 HA -0.02 -0.02 0.42 -0.75 4.18 3.80 2zr2B1 ILE 200 HB -0.00 0.20 0.21 -0.04 1.89 2.26 2zr2B1 ILE 200 HG12 0.01 -0.09 -0.02 -0.04 1.49 1.35 2zr2B1 ILE 200 HG13 0.05 0.02 0.05 -0.04 1.21 1.29 2zr2B1 ILE 200 HG23 -0.02 -0.01 -0.16 -0.04 0.93 0.69 2zr2B1 ILE 200 HD13 -0.01 -0.02 -0.04 -0.04 0.88 0.78 2zr2B1 ARG 201 H -0.06 0.60 -0.08 -0.55 8.46 8.36 2zr2B1 ARG 201 HA -0.03 0.01 0.37 -0.75 4.34 3.93 2zr2B1 ARG 201 HB2 0.02 0.00 0.07 -0.04 1.90 1.95 2zr2B1 ARG 201 HB3 -0.13 0.09 0.07 -0.04 1.80 1.79 2zr2B1 ARG 201 HG2 0.21 0.01 -0.03 -0.04 1.67 1.82 2zr2B1 ARG 201 HG3 0.26 0.02 -0.17 -0.04 1.67 1.73 2zr2B1 ARG 201 HD2 0.04 -0.08 0.13 -0.04 3.22 3.28 2zr2B1 ARG 201 HD3 0.06 -0.00 0.00 -0.04 3.22 3.24 2zr2B1 PHE 202 H -0.27 0.55 -0.25 -0.55 8.34 7.82 2zr2B1 PHE 202 HA -0.46 0.01 0.42 -0.75 4.62 3.83 2zr2B1 PHE 202 HB2 -0.78 0.04 0.10 -0.04 3.15 2.46 2zr2B1 PHE 202 HB3 -0.34 0.06 0.18 -0.04 3.06 2.92 2zr2B1 PHE 202 HD2 -0.08 -0.01 -0.02 -0.04 7.28 7.13 2zr2B1 PHE 202 HE2 -0.11 0.02 -0.05 -0.04 7.38 7.20 2zr2B1 PHE 202 HZ -0.10 0.01 -0.04 -0.04 7.32 7.14 2zr2B1 ALA 203 H -0.16 0.57 -0.16 -0.55 8.40 8.10 2zr2B1 ALA 203 HA -0.51 0.01 0.32 -0.75 4.34 3.40 2zr2B1 ALA 203 HB3 -0.15 0.00 0.07 -0.04 1.41 1.29 2zr2B1 LEU 204 H -0.11 0.61 -0.13 -0.55 8.37 8.20 2zr2B1 LEU 204 HA -0.06 -0.00 0.35 -0.75 4.35 3.89 2zr2B1 LEU 204 HB2 -0.03 0.11 0.16 -0.04 1.64 1.84 2zr2B1 LEU 204 HB3 0.00 -0.01 -0.06 -0.04 1.64 1.53 2zr2B1 LEU 204 HG 0.01 -0.02 -0.03 -0.04 1.64 1.56 2zr2B1 LEU 204 HD13 0.00 -0.01 -0.06 -0.04 0.93 0.82 2zr2B1 LEU 204 HD23 -0.01 0.01 -0.10 -0.04 0.89 0.75 2zr2B1 ASP 205 H -0.04 0.64 -0.11 -0.55 8.40 8.34 2zr2B1 ASP 205 HA 0.03 -0.01 0.38 -0.75 4.63 4.28 2zr2B1 ASP 205 HB2 0.11 0.11 0.16 -0.04 2.71 3.04 2zr2B1 ASP 205 HB3 0.10 -0.06 0.02 -0.04 2.70 2.71 2zr2B1 ARG 206 H -0.22 0.55 -0.08 -0.55 8.46 8.17 2zr2B1 ARG 206 HA -0.07 -0.00 0.39 -0.75 4.34 3.91 2zr2B1 ARG 206 HB2 -0.46 0.13 0.13 -0.04 1.90 1.66 2zr2B1 ARG 206 HB3 -0.24 0.00 -0.04 -0.04 1.80 1.48 2zr2B1 ARG 206 HG2 -0.24 -0.01 -0.03 -0.04 1.67 1.35 2zr2B1 ARG 206 HG3 -0.09 -0.03 0.01 -0.04 1.67 1.52 2zr2B1 ARG 206 HD2 -0.02 -0.03 -0.06 -0.04 3.22 3.07 2zr2B1 ARG 206 HD3 -0.14 0.08 0.01 -0.04 3.22 3.13 2zr2B1 LEU 207 H -0.17 0.63 -0.15 -0.55 8.37 8.14 2zr2B1 LEU 207 HA -0.19 0.01 0.35 -0.75 4.35 3.76 2zr2B1 LEU 207 HB2 -0.16 0.15 0.08 -0.04 1.64 1.67 2zr2B1 LEU 207 HB3 -0.23 -0.05 -0.11 -0.04 1.64 1.21 2zr2B1 LEU 207 HG -0.35 -0.05 -0.11 -0.04 1.64 1.09 2zr2B1 LEU 207 HD13 -1.03 -0.01 -0.06 -0.04 0.93 -0.22 2zr2B1 LEU 207 HD23 -0.25 0.02 -0.09 -0.04 0.89 0.53 2zr2B1 ILE 208 H -0.01 0.65 -0.13 -0.55 8.25 8.21 2zr2B1 ILE 208 HA 0.11 0.21 0.54 -0.75 4.18 4.29 2zr2B1 ILE 208 HB 0.04 0.05 0.19 -0.04 1.89 2.13 2zr2B1 ILE 208 HG12 0.07 0.06 0.08 -0.04 1.49 1.67 2zr2B1 ILE 208 HG13 0.04 0.11 0.07 -0.04 1.21 1.40 2zr2B1 ILE 208 HG23 0.05 -0.02 -0.06 -0.04 0.93 0.86 2zr2B1 ILE 208 HD13 0.04 -0.05 -0.08 -0.04 0.88 0.75 2zr2B1 GLU 209 H 0.03 0.70 -0.03 -0.55 8.60 8.75 2zr2B1 GLU 209 HA 0.05 -0.03 0.37 -0.75 4.29 3.93 2zr2B1 GLU 209 HB2 0.02 0.14 0.10 -0.04 2.09 2.31 2zr2B1 GLU 209 HB3 0.03 -0.10 0.08 -0.04 1.99 1.96 2zr2B1 GLU 209 HG2 0.03 -0.10 0.05 -0.04 2.34 2.28 2zr2B1 GLU 209 HG3 0.02 0.57 0.13 -0.04 2.34 3.02 2zr2B1 LYS 210 H 0.09 0.31 -0.50 -0.55 8.42 7.76 2zr2B1 LYS 210 HA 0.12 0.06 0.61 -0.75 4.32 4.36 2zr2B1 LYS 210 HB2 0.22 0.06 0.07 -0.04 1.87 2.18 2zr2B1 LYS 210 HB3 0.28 -0.08 0.13 -0.04 1.79 2.08 2zr2B1 LYS 210 HG2 0.06 -0.04 -0.09 -0.04 1.46 1.35 2zr2B1 LYS 210 HG3 0.01 0.23 -0.00 -0.04 1.46 1.66 2zr2B1 LYS 210 HD2 0.03 -0.03 -0.04 -0.04 1.69 1.60 2zr2B1 LYS 210 HD3 0.09 -0.03 -0.02 -0.04 1.68 1.68 2zr2B1 LYS 210 HE2 0.01 -0.02 -0.04 -0.04 2.99 2.90 2zr2B1 LYS 210 HE3 -0.03 0.02 -0.05 -0.04 2.99 2.88 2zr2B1 GLY 211 H 0.14 0.62 -0.63 -0.55 8.43 8.01 2zr2B1 GLY 211 HA2 0.07 0.02 0.29 -0.51 4.01 3.88 2zr2B1 GLY 211 HA3 0.06 -0.01 0.43 -0.51 4.01 3.98 2zr2B1 PHE 212 H 0.40 0.47 0.01 -0.55 8.34 8.66 2zr2B1 PHE 212 HA -0.05 0.11 0.57 -0.75 4.62 4.50 2zr2B1 PHE 212 HB2 0.02 0.01 -0.25 -0.04 3.15 2.89 2zr2B1 PHE 212 HB3 0.03 -0.10 -0.43 -0.04 3.06 2.52 2zr2B1 PHE 212 HD2 0.03 0.10 -0.38 -0.04 7.28 7.00 2zr2B1 PHE 212 HE2 0.07 -0.01 -0.11 -0.04 7.38 7.29 2zr2B1 PHE 212 HZ 0.18 -0.07 -0.12 -0.04 7.32 7.27 2zr2B1 THR 213 H -0.04 0.65 0.32 -0.55 8.28 8.66 2zr2B1 THR 213 HA 0.08 0.17 0.82 -0.75 4.39 4.71 2zr2B1 THR 213 HB 0.05 -0.02 0.11 -0.04 4.32 4.42 2zr2B1 THR 213 HG23 -0.13 0.06 0.13 -0.04 1.22 1.24 2zr2B1 PRO 214 HA 0.12 0.25 0.65 -0.51 4.44 4.95 2zr2B1 PRO 214 HB2 0.06 -0.03 -0.01 -0.04 2.28 2.26 2zr2B1 PRO 214 HB3 0.07 0.03 0.09 -0.04 2.02 2.16 2zr2B1 PRO 214 HG2 0.06 -0.02 0.12 -0.04 2.03 2.16 2zr2B1 PRO 214 HG3 0.06 0.01 0.08 -0.04 2.03 2.13 2zr2B1 PRO 214 HD2 0.08 0.04 0.27 -0.04 3.68 4.03 2zr2B1 PRO 214 HD3 0.08 0.29 0.25 -0.04 3.65 4.23 2zr2B1 VAL 215 H 0.09 0.51 0.32 -0.55 8.24 8.62 2zr2B1 VAL 215 HA 0.05 0.14 0.74 -0.75 4.13 4.30 2zr2B1 VAL 215 HB 0.03 0.07 -0.03 -0.04 2.12 2.15 2zr2B1 VAL 215 HG13 0.11 0.03 -0.31 -0.04 0.97 0.76 2zr2B1 VAL 215 HG23 -0.05 -0.02 -0.37 -0.04 0.95 0.47 2zr2B1 ILE 216 H 0.01 0.26 0.13 -0.55 8.25 8.10 2zr2B1 ILE 216 HA 0.07 0.25 0.94 -0.75 4.18 4.68 2zr2B1 ILE 216 HB 0.01 -0.04 0.19 -0.04 1.89 2.01 2zr2B1 ILE 216 HG12 0.05 0.06 0.01 -0.04 1.49 1.56 2zr2B1 ILE 216 HG13 0.03 -0.05 -0.16 -0.04 1.21 0.99 2zr2B1 ILE 216 HG23 0.04 0.02 -0.03 -0.04 0.93 0.93 2zr2B1 ILE 216 HD13 0.03 -0.01 -0.02 -0.04 0.88 0.84 2zr2B1 PRO 217 HA -0.05 0.15 0.69 -0.51 4.44 4.72 2zr2B1 PRO 217 HB2 -0.01 0.09 0.08 -0.04 2.28 2.41 2zr2B1 PRO 217 HB3 -0.04 -0.03 -0.06 -0.04 2.02 1.85 2zr2B1 PRO 217 HG2 0.17 0.08 -0.18 -0.04 2.03 2.06 2zr2B1 PRO 217 HG3 0.04 -0.06 -0.01 -0.04 2.03 1.95 2zr2B1 PRO 217 HD2 0.18 0.29 0.32 -0.04 3.68 4.42 2zr2B1 PRO 217 HD3 0.05 0.10 0.05 -0.04 3.65 3.81 2zr2B1 PRO 218 HA -0.19 0.04 0.59 -0.51 4.44 4.36 2zr2B1 PRO 218 HB2 -0.01 0.04 0.06 -0.04 2.28 2.33 2zr2B1 PRO 218 HB3 -0.05 0.04 0.16 -0.04 2.02 2.13 2zr2B1 PRO 218 HG2 -0.05 0.05 0.09 -0.04 2.03 2.08 2zr2B1 PRO 218 HG3 -0.07 0.05 0.05 -0.04 2.03 2.02 2zr2B1 PRO 218 HD2 -0.04 0.08 0.19 -0.04 3.68 3.87 2zr2B1 PRO 218 HD3 -0.06 0.15 0.17 -0.04 3.65 3.87 2zr2B1 TYR 219 H -0.13 0.12 0.20 -0.55 8.29 7.93 2zr2B1 TYR 219 HA 0.05 0.19 0.68 -0.75 4.56 4.72 2zr2B1 TYR 219 HB2 0.02 -0.03 0.09 -0.04 3.06 3.09 2zr2B1 TYR 219 HB3 0.13 -0.00 0.14 -0.04 2.98 3.20 2zr2B1 TYR 219 HD2 0.04 0.01 -0.23 -0.04 7.15 6.94 2zr2B1 TYR 219 HE2 0.00 0.03 0.05 -0.04 6.85 6.89 2zr2B1 MET 220 H 0.05 0.10 -0.09 -0.55 8.47 7.98 2zr2B1 MET 220 HA 0.06 0.38 0.80 -0.75 4.52 5.01 2zr2B1 MET 220 HB2 0.00 -0.03 0.02 -0.04 2.15 2.10 2zr2B1 MET 220 HB3 0.01 -0.03 -0.13 -0.04 2.03 1.83 2zr2B1 MET 220 HG2 -0.05 0.04 -0.23 -0.04 2.63 2.35 2zr2B1 MET 220 HG3 0.00 -0.10 -0.34 -0.04 2.56 2.09 2zr2B1 MET 220 HE3 -0.07 0.00 -0.14 -0.04 2.10 1.85 2zr2B1 VAL 221 H 0.12 0.62 0.28 -0.55 8.24 8.71 2zr2B1 VAL 221 HA 0.02 0.21 0.93 -0.75 4.13 4.54 2zr2B1 VAL 221 HB -0.09 -0.05 0.05 -0.04 2.12 1.99 2zr2B1 VAL 221 HG13 -0.00 0.00 -0.27 -0.04 0.97 0.66 2zr2B1 VAL 221 HG23 0.06 0.03 -0.20 -0.04 0.95 0.80 2zr2B1 ARG 222 H -0.04 0.14 0.15 -0.55 8.46 8.16 2zr2B1 ARG 222 HA 0.19 0.36 0.50 -0.75 4.34 4.63 2zr2B1 ARG 222 HB2 -0.00 -0.05 0.11 -0.04 1.90 1.92 2zr2B1 ARG 222 HB3 0.24 -0.07 0.09 -0.04 1.80 2.02 2zr2B1 ARG 222 HG2 0.12 0.20 0.11 -0.04 1.67 2.06 2zr2B1 ARG 222 HG3 0.12 0.01 0.09 -0.04 1.67 1.85 2zr2B1 ARG 222 HD2 0.35 0.02 0.04 -0.04 3.22 3.59 2zr2B1 ARG 222 HD3 0.21 -0.04 0.06 -0.04 3.22 3.41 2zr2B1 ARG 223 H 0.24 0.19 0.07 -0.55 8.46 8.40 2zr2B1 ARG 223 HA -0.61 0.09 0.25 -0.75 4.34 3.31 2zr2B1 ARG 223 HB2 0.11 0.03 0.10 -0.04 1.90 2.10 2zr2B1 ARG 223 HB3 -0.03 0.00 0.05 -0.04 1.80 1.79 2zr2B1 ARG 223 HG2 -0.32 -0.02 -0.13 -0.04 1.67 1.17 2zr2B1 ARG 223 HG3 -0.79 0.02 0.01 -0.04 1.67 0.88 2zr2B1 ARG 223 HD2 -0.14 0.02 -0.01 -0.04 3.22 3.05 2zr2B1 ARG 223 HD3 -0.22 0.01 -0.04 -0.04 3.22 2.93 2zr2B1 PHE 224 H 0.23 0.08 -0.27 -0.55 8.34 7.82 2zr2B1 PHE 224 HA -0.00 0.08 0.27 -0.75 4.62 4.21 2zr2B1 PHE 224 HB2 0.02 0.11 0.01 -0.04 3.15 3.25 2zr2B1 PHE 224 HB3 -0.02 -0.04 0.05 -0.04 3.06 3.02 2zr2B1 PHE 224 HD2 0.05 -0.02 -0.14 -0.04 7.28 7.13 2zr2B1 PHE 224 HE2 0.04 0.04 -0.03 -0.04 7.38 7.39 2zr2B1 PHE 224 HZ 0.02 0.09 -0.03 -0.04 7.32 7.36 2zr2B1 VAL 225 H -0.87 0.22 -0.25 -0.55 8.24 6.79 2zr2B1 VAL 225 HA -0.30 0.13 0.29 -0.75 4.13 3.50 2zr2B1 VAL 225 HB -0.34 0.03 0.03 -0.04 2.12 1.80 2zr2B1 VAL 225 HG13 -0.89 0.07 0.04 -0.04 0.97 0.15 2zr2B1 VAL 225 HG23 -0.13 -0.00 -0.32 -0.04 0.95 0.46 2zr2B1 GLU 226 H -0.14 0.29 -0.37 -0.55 8.60 7.83 2zr2B1 GLU 226 HA -0.18 0.02 0.41 -0.75 4.29 3.79 2zr2B1 GLU 226 HB2 0.00 0.12 0.09 -0.04 2.09 2.26 2zr2B1 GLU 226 HB3 -0.29 -0.04 -0.09 -0.04 1.99 1.52 2zr2B1 GLU 226 HG2 -0.04 0.02 -0.18 -0.04 2.34 2.10 2zr2B1 GLU 226 HG3 -0.04 0.02 -0.13 -0.04 2.34 2.15 2zr2B1 GLU 227 H 0.18 0.55 -0.02 -0.55 8.60 8.76 2zr2B1 GLU 227 HA 0.53 0.01 0.28 -0.75 4.29 4.36 2zr2B1 GLU 227 HB2 0.21 0.05 0.03 -0.04 2.09 2.34 2zr2B1 GLU 227 HB3 0.49 0.02 0.05 -0.04 1.99 2.51 2zr2B1 GLU 227 HG2 0.17 -0.05 -0.02 -0.04 2.34 2.40 2zr2B1 GLU 227 HG3 0.13 0.08 -0.02 -0.04 2.34 2.48 2zr2B1 GLY 228 H 0.13 0.23 -0.76 -0.55 8.43 7.49 2zr2B1 GLY 228 HA2 0.23 0.11 0.56 -0.51 4.01 4.41 2zr2B1 GLY 228 HA3 0.18 -0.01 0.18 -0.51 4.01 3.85 2zr2B1 SER 229 H -0.03 0.39 -0.19 -0.55 8.46 8.09 2zr2B1 SER 229 HA 0.08 0.13 0.87 -0.75 4.49 4.82 2zr2B1 SER 229 HB2 -0.90 -0.00 0.03 -0.04 3.95 3.04 2zr2B1 SER 229 HB3 -0.29 -0.14 -0.02 -0.04 3.93 3.43 2zr2B1 THR 230 H 0.06 0.47 0.03 -0.55 8.28 8.29 2zr2B1 THR 230 HA 0.10 0.13 0.71 -0.75 4.39 4.58 2zr2B1 THR 230 HB 0.01 0.06 0.04 -0.04 4.32 4.40 2zr2B1 THR 230 HG23 0.02 -0.03 0.04 -0.04 1.22 1.21 2zr2B1 SER 231 H 0.05 -0.01 0.13 -0.55 8.46 8.08 2zr2B1 SER 231 HA 0.14 0.34 0.54 -0.75 4.49 4.75 2zr2B1 SER 231 HB2 -0.26 0.07 0.11 -0.04 3.95 3.83 2zr2B1 SER 231 HB3 -0.01 0.06 0.07 -0.04 3.93 4.01 2zr2B1 PHE 232 H -0.17 0.32 0.19 -0.55 8.34 8.13 2zr2B1 PHE 232 HA 0.34 0.10 0.34 -0.75 4.62 4.63 2zr2B1 PHE 232 HB2 0.09 0.00 0.10 -0.04 3.15 3.30 2zr2B1 PHE 232 HB3 0.15 -0.01 0.07 -0.04 3.06 3.22 2zr2B1 PHE 232 HD2 0.14 -0.05 -0.02 -0.04 7.28 7.31 2zr2B1 PHE 232 HE2 0.05 0.05 0.04 -0.04 7.38 7.48 2zr2B1 PHE 232 HZ -0.17 0.01 0.02 -0.04 7.32 7.14 2zr2B1 GLU 233 H 0.05 0.10 -0.34 -0.55 8.60 7.86 2zr2B1 GLU 233 HA 0.09 0.08 0.37 -0.75 4.29 4.07 2zr2B1 GLU 233 HB2 -0.08 0.06 0.09 -0.04 2.09 2.12 2zr2B1 GLU 233 HB3 -0.11 -0.03 0.03 -0.04 1.99 1.85 2zr2B1 GLU 233 HG2 -0.06 0.03 -0.03 -0.04 2.34 2.24 2zr2B1 GLU 233 HG3 -0.01 -0.07 -0.18 -0.04 2.34 2.04 2zr2B1 ASP 234 H -0.01 0.43 -0.29 -0.55 8.40 7.98 2zr2B1 ASP 234 HA -0.03 -0.07 0.34 -0.75 4.63 4.11 2zr2B1 ASP 234 HB2 -0.16 0.30 0.03 -0.04 2.71 2.84 2zr2B1 ASP 234 HB3 -0.16 -0.04 -0.03 -0.04 2.70 2.43 2zr2B1 PHE 235 H 0.06 0.49 -0.32 -0.55 8.34 8.02 2zr2B1 PHE 235 HA 0.06 0.03 0.43 -0.75 4.62 4.38 2zr2B1 PHE 235 HB2 0.04 0.15 0.10 -0.04 3.15 3.40 2zr2B1 PHE 235 HB3 0.04 0.00 0.00 -0.04 3.06 3.07 2zr2B1 PHE 235 HD2 0.07 0.08 0.04 -0.04 7.28 7.42 2zr2B1 PHE 235 HE2 -0.32 0.01 -0.10 -0.04 7.38 6.92 2zr2B1 PHE 235 HZ -0.23 -0.01 -0.07 -0.04 7.32 6.97 2zr2B1 GLU 236 H 0.13 0.39 -0.17 -0.55 8.60 8.41 2zr2B1 GLU 236 HA 0.09 0.14 0.63 -0.75 4.29 4.39 2zr2B1 GLU 236 HB2 0.08 -0.02 0.06 -0.04 2.09 2.17 2zr2B1 GLU 236 HB3 0.08 0.13 0.21 -0.04 1.99 2.38 2zr2B1 GLU 236 HG2 0.05 -0.04 -0.01 -0.04 2.34 2.29 2zr2B1 GLU 236 HG3 0.04 -0.01 -0.29 -0.04 2.34 2.04 2zr2B1 ASP 237 H 0.03 0.24 0.05 -0.55 8.40 8.17 2zr2B1 ASP 237 HA 0.00 0.17 0.62 -0.75 4.63 4.67 2zr2B1 ASP 237 HB2 -0.00 -0.01 0.04 -0.04 2.71 2.70 2zr2B1 ASP 237 HB3 0.00 -0.11 0.03 -0.04 2.70 2.58 2zr2B1 VAL 238 H -0.03 0.67 0.11 -0.55 8.24 8.44 2zr2B1 VAL 238 HA -0.06 0.01 1.43 -0.75 4.13 4.75 2zr2B1 VAL 238 HB -0.00 -0.05 0.07 -0.04 2.12 2.09 2zr2B1 VAL 238 HG13 -0.02 -0.01 0.00 -0.04 0.97 0.90 2zr2B1 VAL 238 HG23 -0.01 0.02 -0.09 -0.04 0.95 0.83 2zr2B1 ILE 239 H -0.05 0.39 0.13 -0.55 8.25 8.17 2zr2B1 ILE 239 HA 0.04 0.14 0.55 -0.75 4.18 4.16 2zr2B1 ILE 239 HB 0.03 -0.03 0.03 -0.04 1.89 1.88 2zr2B1 ILE 239 HG12 0.00 0.07 -0.04 -0.04 1.49 1.48 2zr2B1 ILE 239 HG13 -0.09 -0.12 -0.04 -0.04 1.21 0.92 2zr2B1 ILE 239 HG23 0.25 0.06 -0.23 -0.04 0.93 0.97 2zr2B1 ILE 239 HD13 -0.57 -0.02 -0.18 -0.04 0.88 0.06 2zr2B1 TYR 240 H 0.21 0.21 0.18 -0.55 8.29 8.34 2zr2B1 TYR 240 HA 0.07 0.11 0.54 -0.75 4.56 4.53 2zr2B1 TYR 240 HB2 0.01 -0.05 0.13 -0.04 3.06 3.11 2zr2B1 TYR 240 HB3 -0.02 0.01 -0.07 -0.04 2.98 2.87 2zr2B1 TYR 240 HD2 0.08 -0.00 -0.09 -0.04 7.15 7.10 2zr2B1 TYR 240 HE2 0.10 0.04 -0.15 -0.04 6.85 6.79 2zr2B1 LYS 241 H 0.12 0.20 0.22 -0.55 8.42 8.41 2zr2B1 LYS 241 HA -0.23 0.17 1.09 -0.75 4.32 4.59 2zr2B1 LYS 241 HB2 0.02 -0.00 0.02 -0.04 1.87 1.87 2zr2B1 LYS 241 HB3 -0.01 -0.04 0.12 -0.04 1.79 1.82 2zr2B1 LYS 241 HG2 -0.26 0.12 -0.28 -0.04 1.46 1.00 2zr2B1 LYS 241 HG3 -0.95 0.08 0.15 -0.04 1.46 0.70 2zr2B1 LYS 241 HD2 -0.02 -0.04 -0.00 -0.04 1.69 1.58 2zr2B1 LYS 241 HD3 -0.08 -0.06 -0.04 -0.04 1.68 1.47 2zr2B1 LYS 241 HE2 -0.30 -0.02 0.08 -0.04 2.99 2.70 2zr2B1 LYS 241 HE3 -0.05 -0.09 -0.01 -0.04 2.99 2.79 2zr2B1 VAL 242 H -0.27 0.64 0.28 -0.55 8.24 8.34 2zr2B1 VAL 242 HA -0.09 0.08 0.69 -0.75 4.13 4.05 2zr2B1 VAL 242 HB -0.11 -0.04 -0.02 -0.04 2.12 1.91 2zr2B1 VAL 242 HG13 -0.14 0.08 -0.03 -0.04 0.97 0.85 2zr2B1 VAL 242 HG23 -0.08 0.05 -0.10 -0.04 0.95 0.78 2zr2B1 GLU 243 H -0.06 0.10 0.17 -0.55 8.60 8.25 2zr2B1 GLU 243 HA -0.06 0.03 0.41 -0.75 4.29 3.92 2zr2B1 GLU 243 HB2 -0.04 0.02 0.17 -0.04 2.09 2.21 2zr2B1 GLU 243 HB3 -0.04 0.01 0.02 -0.04 1.99 1.94 2zr2B1 GLU 243 HG2 -0.03 -0.02 0.02 -0.04 2.34 2.27 2zr2B1 GLU 243 HG3 -0.03 0.01 0.08 -0.04 2.34 2.36 2zr2B1 ASP 244 H -0.05 0.11 0.17 -0.55 8.40 8.09 2zr2B1 ASP 244 HA -0.04 -0.01 0.33 -0.75 4.63 4.16 2zr2B1 ASP 244 HB2 -0.04 0.14 -0.14 -0.04 2.71 2.63 2zr2B1 ASP 244 HB3 -0.03 -0.02 0.19 -0.04 2.70 2.81 2zr2B1 GLU 245 H -0.08 0.40 -0.31 -0.55 8.60 8.06 2zr2B1 GLU 245 HA -0.04 0.12 0.81 -0.75 4.29 4.43 2zr2B1 GLU 245 HB2 -0.09 -0.01 -0.14 -0.04 2.09 1.82 2zr2B1 GLU 245 HB3 -0.04 -0.06 -0.12 -0.04 1.99 1.73 2zr2B1 GLU 245 HG2 -0.05 0.13 -0.64 -0.04 2.34 1.73 2zr2B1 GLU 245 HG3 -0.05 -0.06 -0.16 -0.04 2.34 2.03 2zr2B1 ASP 246 H -0.01 0.19 0.03 -0.55 8.40 8.06 2zr2B1 ASP 246 HA 0.03 0.14 0.63 -0.75 4.63 4.68 2zr2B1 ASP 246 HB2 0.05 0.04 0.13 -0.04 2.71 2.88 2zr2B1 ASP 246 HB3 0.06 0.03 0.23 -0.04 2.70 2.97 2zr2B1 LEU 247 H -0.22 0.70 -0.31 -0.55 8.37 7.99 2zr2B1 LEU 247 HA 0.11 0.26 0.56 -0.75 4.35 4.53 2zr2B1 LEU 247 HB2 -0.08 -0.01 -0.12 -0.04 1.64 1.39 2zr2B1 LEU 247 HB3 -0.02 -0.02 -0.13 -0.04 1.64 1.42 2zr2B1 LEU 247 HG -0.01 -0.09 -0.49 -0.04 1.64 1.01 2zr2B1 LEU 247 HD13 -0.03 0.00 -0.13 -0.04 0.93 0.73 2zr2B1 LEU 247 HD23 0.03 0.04 -0.18 -0.04 0.89 0.75 2zr2B1 TYR 248 H 0.23 0.48 0.25 -0.55 8.29 8.70 2zr2B1 TYR 248 HA 0.06 0.18 1.05 -0.75 4.56 5.10 2zr2B1 TYR 248 HB2 0.09 -0.05 -0.04 -0.04 3.06 3.02 2zr2B1 TYR 248 HB3 0.13 0.12 -0.07 -0.04 2.98 3.12 2zr2B1 TYR 248 HD2 0.15 0.16 -0.27 -0.04 7.15 7.16 2zr2B1 TYR 248 HE2 0.06 -0.09 -0.06 -0.04 6.85 6.71 2zr2B1 LEU 249 H 0.09 0.45 0.21 -0.55 8.37 8.57 2zr2B1 LEU 249 HA -0.03 0.14 0.63 -0.75 4.35 4.33 2zr2B1 LEU 249 HB2 0.07 -0.03 0.17 -0.04 1.64 1.81 2zr2B1 LEU 249 HB3 -0.33 0.06 0.01 -0.04 1.64 1.34 2zr2B1 LEU 249 HG -0.15 -0.05 -0.06 -0.04 1.64 1.34 2zr2B1 LEU 249 HD13 -0.54 -0.00 -0.06 -0.04 0.93 0.29 2zr2B1 LEU 249 HD23 -0.43 0.00 -0.06 -0.04 0.89 0.36 2zr2B1 ILE 250 H 0.13 0.76 0.38 -0.55 8.25 8.96 2zr2B1 ILE 250 HA 0.11 0.10 0.51 -0.75 4.18 4.14 2zr2B1 ILE 250 HB 0.01 -0.06 0.02 -0.04 1.89 1.82 2zr2B1 ILE 250 HG12 0.18 0.10 0.22 -0.04 1.49 1.95 2zr2B1 ILE 250 HG13 0.10 -0.06 0.05 -0.04 1.21 1.25 2zr2B1 ILE 250 HG23 0.10 0.05 -0.21 -0.04 0.93 0.82 2zr2B1 ILE 250 HD13 0.04 0.02 -0.22 -0.04 0.88 0.68 2zr2B1 PRO 251 HA 0.01 0.07 0.64 -0.51 4.44 4.65 2zr2B1 PRO 251 HB2 -0.04 -0.06 0.04 -0.04 2.28 2.17 2zr2B1 PRO 251 HB3 0.02 0.15 0.08 -0.04 2.02 2.23 2zr2B1 PRO 251 HG2 -0.55 -0.02 -0.09 -0.04 2.03 1.33 2zr2B1 PRO 251 HG3 -0.04 -0.01 -0.01 -0.04 2.03 1.94 2zr2B1 PRO 251 HD2 -0.06 0.04 0.21 -0.04 3.68 3.83 2zr2B1 PRO 251 HD3 0.06 0.26 0.19 -0.04 3.65 4.13 2zr2B1 THR 252 H -0.17 0.18 -0.29 -0.55 8.28 7.46 2zr2B1 THR 252 HA -0.15 0.12 0.30 -0.75 4.39 3.90 2zr2B1 THR 252 HB -0.08 0.28 0.04 -0.04 4.32 4.51 2zr2B1 THR 252 HG23 -0.43 -0.05 -0.29 -0.04 1.22 0.41 2zr2B1 ALA 253 H -0.06 0.24 -0.02 -0.55 8.40 8.01 2zr2B1 ALA 253 HA -0.02 0.15 0.27 -0.75 4.34 4.00 2zr2B1 ALA 253 HB3 0.00 0.03 -0.10 -0.04 1.41 1.30 2zr2B1 GLU 254 H -0.00 0.00 -0.57 -0.55 8.60 7.49 2zr2B1 GLU 254 HA 0.10 0.08 0.23 -0.75 4.29 3.94 2zr2B1 GLU 254 HB2 0.15 -0.02 -0.04 -0.04 2.09 2.14 2zr2B1 GLU 254 HB3 0.08 -0.01 -0.10 -0.04 1.99 1.91 2zr2B1 GLU 254 HG2 0.33 0.04 -0.40 -0.04 2.34 2.27 2zr2B1 GLU 254 HG3 0.44 0.00 -0.08 -0.04 2.34 2.66 2zr2B1 HIS 255 H 0.00 0.33 -0.29 -0.55 8.41 7.90 2zr2B1 HIS 255 HA -0.04 0.09 0.41 -0.75 4.63 4.34 2zr2B1 HIS 255 HB2 -0.02 0.10 0.07 -0.04 3.26 3.37 2zr2B1 HIS 255 HB3 -0.04 0.00 -0.14 -0.04 3.20 2.98 2zr2B1 HIS 255 HD2 0.03 -0.08 -0.26 -0.04 6.97 6.61 2zr2B1 HIS 255 HE1 -0.05 -0.03 -0.09 -0.04 7.75 7.54 2zr2B1 PRO 256 HA -0.07 0.01 0.42 -0.51 4.44 4.29 2zr2B1 PRO 256 HB2 -0.06 0.02 0.00 -0.04 2.28 2.20 2zr2B1 PRO 256 HB3 -0.01 0.03 0.05 -0.04 2.02 2.04 2zr2B1 PRO 256 HG2 -0.03 0.13 0.03 -0.04 2.03 2.12 2zr2B1 PRO 256 HG3 0.04 0.19 0.01 -0.04 2.03 2.22 2zr2B1 PRO 256 HD2 0.01 0.14 -0.01 -0.04 3.68 3.77 2zr2B1 PRO 256 HD3 0.05 0.07 0.03 -0.04 3.65 3.77 2zr2B1 LEU 257 H -0.17 0.40 -0.60 -0.55 8.37 7.45 2zr2B1 LEU 257 HA -0.32 0.03 0.35 -0.75 4.35 3.66 2zr2B1 LEU 257 HB2 -0.29 0.23 0.06 -0.04 1.64 1.60 2zr2B1 LEU 257 HB3 -1.00 -0.02 -0.12 -0.04 1.64 0.45 2zr2B1 LEU 257 HG -0.03 -0.04 -0.14 -0.04 1.64 1.39 2zr2B1 LEU 257 HD13 -0.25 -0.01 -0.11 -0.04 0.93 0.52 2zr2B1 LEU 257 HD23 0.01 -0.00 -0.22 -0.04 0.89 0.64 2zr2B1 ALA 258 H -0.41 0.47 -0.15 -0.55 8.40 7.76 2zr2B1 ALA 258 HA -0.36 0.01 0.40 -0.75 4.34 3.64 2zr2B1 ALA 258 HB3 -0.02 0.02 0.04 -0.04 1.41 1.40 2zr2B1 GLY 259 H -0.11 0.48 -0.15 -0.55 8.43 8.10 2zr2B1 GLY 259 HA2 0.04 0.04 0.39 -0.51 4.01 3.97 2zr2B1 GLY 259 HA3 -0.08 -0.05 0.27 -0.51 4.01 3.64 2zr2B1 MET 260 H -0.13 0.42 -0.43 -0.55 8.47 7.78 2zr2B1 MET 260 HA -0.16 -0.04 0.30 -0.75 4.52 3.87 2zr2B1 MET 260 HB2 -0.27 0.10 0.13 -0.04 2.15 2.07 2zr2B1 MET 260 HB3 -0.33 0.11 0.01 -0.04 2.03 1.79 2zr2B1 MET 260 HG2 -0.71 -0.01 -0.15 -0.04 2.63 1.72 2zr2B1 MET 260 HG3 -0.30 -0.05 0.03 -0.04 2.56 2.20 2zr2B1 MET 260 HE3 -0.15 -0.01 -0.05 -0.04 2.10 1.85 2zr2B1 HIS 261 H 0.10 0.23 -0.49 -0.55 8.41 7.70 2zr2B1 HIS 261 HA 0.01 0.23 0.89 -0.75 4.63 5.00 2zr2B1 HIS 261 HB2 -0.07 0.01 -0.04 -0.04 3.26 3.13 2zr2B1 HIS 261 HB3 -0.08 -0.08 0.08 -0.04 3.20 3.08 2zr2B1 HIS 261 HD2 -0.71 0.03 -0.11 -0.04 6.97 6.14 2zr2B1 HIS 261 HE1 -0.01 -0.02 -0.07 -0.04 7.75 7.60 2zr2B1 ALA 262 H 0.13 0.54 -0.21 -0.55 8.40 8.31 2zr2B1 ALA 262 HA 0.21 0.02 0.32 -0.75 4.34 4.13 2zr2B1 ALA 262 HB3 0.27 -0.03 0.11 -0.04 1.41 1.72 2zr2B1 ASN 263 H 0.15 0.57 0.27 -0.55 8.53 8.97 2zr2B1 ASN 263 HA 0.09 0.12 0.51 -0.75 4.76 4.72 2zr2B1 ASN 263 HB2 0.05 0.12 -0.09 -0.04 2.88 2.92 2zr2B1 ASN 263 HB3 0.03 -0.11 0.25 -0.04 2.79 2.93 2zr2B1 ASN 263 HD21 -0.09 -0.06 -0.06 -0.04 7.03 6.78 2zr2B1 ASN 263 HD22 -0.02 0.01 -0.18 -0.04 7.74 7.50 2zr2B1 GLU 264 H 0.11 0.28 0.16 -0.55 8.60 8.60 2zr2B1 GLU 264 HA 0.05 0.15 0.86 -0.75 4.29 4.59 2zr2B1 GLU 264 HB2 0.10 0.04 -0.01 -0.04 2.09 2.17 2zr2B1 GLU 264 HB3 0.06 -0.15 0.00 -0.04 1.99 1.86 2zr2B1 GLU 264 HG2 0.07 -0.00 -0.11 -0.04 2.34 2.26 2zr2B1 GLU 264 HG3 0.11 0.33 -0.64 -0.04 2.34 2.09 2zr2B1 ILE 265 H 0.02 0.21 0.00 -0.55 8.25 7.94 2zr2B1 ILE 265 HA 0.02 0.16 0.66 -0.75 4.18 4.27 2zr2B1 ILE 265 HB -0.00 -0.03 0.12 -0.04 1.89 1.94 2zr2B1 ILE 265 HG12 -0.03 0.02 -0.14 -0.04 1.49 1.30 2zr2B1 ILE 265 HG13 -0.00 -0.01 -0.36 -0.04 1.21 0.79 2zr2B1 ILE 265 HG23 -0.03 0.00 -0.20 -0.04 0.93 0.66 2zr2B1 ILE 265 HD13 -0.03 -0.00 -0.07 -0.04 0.88 0.74 2zr2B1 LEU 266 H 0.05 0.70 0.19 -0.55 8.37 8.77 2zr2B1 LEU 266 HA -0.03 0.06 0.43 -0.75 4.35 4.05 2zr2B1 LEU 266 HB2 0.04 -0.07 -0.08 -0.04 1.64 1.49 2zr2B1 LEU 266 HB3 -0.10 -0.04 0.01 -0.04 1.64 1.47 2zr2B1 LEU 266 HG -0.03 0.15 -0.00 -0.04 1.64 1.72 2zr2B1 LEU 266 HD13 -0.23 -0.01 -0.11 -0.04 0.93 0.54 2zr2B1 LEU 266 HD23 -0.33 0.01 -0.06 -0.04 0.89 0.46 2zr2B1 ASP 267 H -0.02 0.17 0.14 -0.55 8.40 8.14 2zr2B1 ASP 267 HA 0.04 0.27 0.91 -0.75 4.63 5.10 2zr2B1 ASP 267 HB2 0.00 0.10 0.10 -0.04 2.71 2.87 2zr2B1 ASP 267 HB3 -0.01 -0.01 0.22 -0.04 2.70 2.86 2zr2B1 GLY 268 H 0.14 0.66 0.14 -0.55 8.43 8.83 2zr2B1 GLY 268 HA2 0.15 0.00 0.21 -0.51 4.01 3.86 2zr2B1 GLY 268 HA3 0.22 0.00 0.14 -0.51 4.01 3.87 2zr2B1 LYS 269 H 0.03 0.04 -0.46 -0.55 8.42 7.48 2zr2B1 LYS 269 HA 0.01 0.05 0.36 -0.75 4.32 3.99 2zr2B1 LYS 269 HB2 0.01 -0.05 0.04 -0.04 1.87 1.82 2zr2B1 LYS 269 HB3 -0.00 0.05 -0.01 -0.04 1.79 1.78 2zr2B1 LYS 269 HG2 0.01 -0.00 0.04 -0.04 1.46 1.47 2zr2B1 LYS 269 HG3 0.01 0.02 0.05 -0.04 1.46 1.50 2zr2B1 LYS 269 HD2 0.03 -0.16 0.08 -0.04 1.69 1.61 2zr2B1 LYS 269 HD3 0.02 0.08 0.09 -0.04 1.68 1.82 2zr2B1 LYS 269 HE2 0.03 0.01 0.09 -0.04 2.99 3.07 2zr2B1 LYS 269 HE3 0.02 -0.00 0.03 -0.04 2.99 2.99 2zr2B1 ASP 270 H -0.02 0.71 -0.10 -0.55 8.40 8.44 2zr2B1 ASP 270 HA -0.05 0.12 0.56 -0.75 4.63 4.50 2zr2B1 ASP 270 HB2 -0.08 -0.03 0.05 -0.04 2.71 2.61 2zr2B1 ASP 270 HB3 -0.09 0.00 0.02 -0.04 2.70 2.58 2zr2B1 LEU 271 H -0.07 0.16 -0.27 -0.55 8.37 7.65 2zr2B1 LEU 271 HA -0.15 -0.08 0.26 -0.75 4.35 3.63 2zr2B1 LEU 271 HB2 -0.13 0.21 0.09 -0.04 1.64 1.76 2zr2B1 LEU 271 HB3 -0.17 -0.12 -0.08 -0.04 1.64 1.23 2zr2B1 LEU 271 HG -0.21 -0.01 -0.24 -0.04 1.64 1.14 2zr2B1 LEU 271 HD13 -0.11 0.01 -0.27 -0.04 0.93 0.52 2zr2B1 LEU 271 HD23 -0.63 -0.04 -0.22 -0.04 0.89 -0.05 2zr2B1 PRO 272 HA -0.21 -0.00 0.51 -0.51 4.44 4.23 2zr2B1 PRO 272 HB2 -0.70 0.08 -0.07 -0.04 2.28 1.54 2zr2B1 PRO 272 HB3 -0.26 -0.17 0.11 -0.04 2.02 1.65 2zr2B1 PRO 272 HG2 -0.21 0.07 0.07 -0.04 2.03 1.92 2zr2B1 PRO 272 HG3 0.20 -0.03 0.05 -0.04 2.03 2.22 2zr2B1 PRO 272 HD2 -0.01 0.16 0.25 -0.04 3.68 4.04 2zr2B1 PRO 272 HD3 0.08 -0.02 0.27 -0.04 3.65 3.94 2zr2B1 LEU 273 H -0.16 0.37 0.30 -0.55 8.37 8.33 2zr2B1 LEU 273 HA -0.31 0.20 0.78 -0.75 4.35 4.27 2zr2B1 LEU 273 HB2 0.13 -0.14 0.20 -0.04 1.64 1.79 2zr2B1 LEU 273 HB3 -0.26 0.05 0.01 -0.04 1.64 1.40 2zr2B1 LEU 273 HG -0.21 -0.09 -0.11 -0.04 1.64 1.20 2zr2B1 LEU 273 HD13 -0.66 -0.01 -0.06 -0.04 0.93 0.17 2zr2B1 LEU 273 HD23 -0.21 0.06 -0.12 -0.04 0.89 0.57 2zr2B1 LEU 274 H -0.49 0.27 0.20 -0.55 8.37 7.80 2zr2B1 LEU 274 HA -0.47 0.21 1.09 -0.75 4.35 4.42 2zr2B1 LEU 274 HB2 -0.66 0.12 0.24 -0.04 1.64 1.29 2zr2B1 LEU 274 HB3 -1.93 -0.02 -0.02 -0.04 1.64 -0.36 2zr2B1 LEU 274 HG -0.60 0.09 -0.22 -0.04 1.64 0.86 2zr2B1 LEU 274 HD13 -0.61 0.03 -0.08 -0.04 0.93 0.22 2zr2B1 LEU 274 HD23 -1.33 0.00 -0.15 -0.04 0.89 -0.63 2zr2B1 TYR 275 H 0.22 0.72 0.34 -0.55 8.29 9.02 2zr2B1 TYR 275 HA 0.15 0.34 1.12 -0.75 4.56 5.41 2zr2B1 TYR 275 HB2 0.26 -0.06 0.03 -0.04 3.06 3.25 2zr2B1 TYR 275 HB3 0.14 -0.01 -0.06 -0.04 2.98 3.01 2zr2B1 TYR 275 HD2 0.28 0.08 -0.12 -0.04 7.15 7.35 2zr2B1 TYR 275 HE2 0.15 -0.01 -0.09 -0.04 6.85 6.85 2zr2B1 VAL 276 H 0.29 0.58 0.02 -0.55 8.24 8.58 2zr2B1 VAL 276 HA 0.16 0.35 1.05 -0.75 4.13 4.93 2zr2B1 VAL 276 HB 0.07 -0.01 -0.17 -0.04 2.12 1.97 2zr2B1 VAL 276 HG13 0.11 -0.01 -0.20 -0.04 0.97 0.83 2zr2B1 VAL 276 HG23 -0.04 -0.00 -0.18 -0.04 0.95 0.68 2zr2B1 GLY 277 H 0.11 0.32 0.13 -0.55 8.43 8.45 2zr2B1 GLY 277 HA2 0.06 0.32 0.97 -0.51 4.01 4.85 2zr2B1 GLY 277 HA3 0.05 -0.04 0.33 -0.51 4.01 3.84 2zr2B1 VAL 278 H 0.04 0.60 0.48 -0.55 8.24 8.81 2zr2B1 VAL 278 HA -0.01 0.16 1.07 -0.75 4.13 4.60 2zr2B1 VAL 278 HB 0.01 0.00 0.04 -0.04 2.12 2.14 2zr2B1 VAL 278 HG13 -0.04 -0.03 -0.02 -0.04 0.97 0.84 2zr2B1 VAL 278 HG23 0.01 0.03 -0.08 -0.04 0.95 0.87 2zr2B1 SER 279 H -0.09 0.23 0.27 -0.55 8.46 8.33 2zr2B1 SER 279 HA -0.20 0.04 0.36 -0.75 4.49 3.95 2zr2B1 SER 279 HB2 -0.21 0.04 0.20 -0.04 3.95 3.94 2zr2B1 SER 279 HB3 0.02 0.14 -0.27 -0.04 3.93 3.78 2zr2B1 PRO 280 HA -0.19 0.09 0.76 -0.51 4.44 4.59 2zr2B1 PRO 280 HB2 -0.57 0.07 0.03 -0.04 2.28 1.76 2zr2B1 PRO 280 HB3 -0.16 -0.04 0.06 -0.04 2.02 1.85 2zr2B1 PRO 280 HG2 -0.48 0.07 0.04 -0.04 2.03 1.62 2zr2B1 PRO 280 HG3 -0.41 0.03 0.05 -0.04 2.03 1.66 2zr2B1 PRO 280 HD2 -1.81 0.15 0.24 -0.04 3.68 2.22 2zr2B1 PRO 280 HD3 -0.59 0.09 0.10 -0.04 3.65 3.21 2zr2B1 CYS 281 H -0.77 0.38 0.39 -0.55 8.50 7.95 2zr2B1 CYS 281 HA -0.34 0.28 0.77 -0.75 4.58 4.54 2zr2B1 CYS 281 HB2 -2.00 -0.10 -0.02 -0.04 2.97 0.80 2zr2B1 CYS 281 HB3 -0.63 0.17 -0.18 -0.04 2.97 2.29 2zr2B1 PHE 282 H 0.12 0.46 0.24 -0.55 8.34 8.61 2zr2B1 PHE 282 HA 0.09 0.47 1.16 -0.75 4.62 5.59 2zr2B1 PHE 282 HB2 0.17 -0.03 -0.04 -0.04 3.15 3.21 2zr2B1 PHE 282 HB3 0.22 0.04 0.02 -0.04 3.06 3.29 2zr2B1 PHE 282 HD2 -0.02 0.20 -0.05 -0.04 7.28 7.37 2zr2B1 PHE 282 HE2 -0.09 0.01 -0.09 -0.04 7.38 7.17 2zr2B1 PHE 282 HZ -0.06 -0.04 -0.07 -0.04 7.32 7.11 2zr2B1 ARG 283 H 0.35 0.57 0.26 -0.55 8.46 9.09 2zr2B1 ARG 283 HA 0.10 0.22 0.95 -0.75 4.34 4.86 2zr2B1 ARG 283 HB2 0.15 0.10 -0.01 -0.04 1.90 2.10 2zr2B1 ARG 283 HB3 0.08 -0.13 0.05 -0.04 1.80 1.76 2zr2B1 ARG 283 HG2 0.21 -0.09 -0.55 -0.04 1.67 1.19 2zr2B1 ARG 283 HG3 0.32 -0.01 -0.15 -0.04 1.67 1.79 2zr2B1 ARG 283 HD2 0.07 0.01 -0.02 -0.04 3.22 3.24 2zr2B1 ARG 283 HD3 0.09 0.10 -0.09 -0.04 3.22 3.27 2zr2B1 LYS 284 H -0.15 0.46 0.35 -0.55 8.42 8.54 2zr2B1 LYS 284 HA -0.21 0.08 0.48 -0.75 4.32 3.91 2zr2B1 LYS 284 HB2 -0.15 0.11 0.03 -0.04 1.87 1.82 2zr2B1 LYS 284 HB3 -0.11 -0.03 -0.08 -0.04 1.79 1.52 2zr2B1 LYS 284 HG2 -0.64 -0.05 -0.11 -0.04 1.46 0.62 2zr2B1 LYS 284 HG3 -0.94 0.05 -0.30 -0.04 1.46 0.22 2zr2B1 LYS 284 HD2 -0.13 -0.16 -0.76 -0.04 1.69 0.60 2zr2B1 LYS 284 HD3 -0.10 0.05 -0.19 -0.04 1.68 1.40 2zr2B1 LYS 284 HE2 -0.08 -0.14 -0.09 -0.04 2.99 2.64 2zr2B1 LYS 284 HE3 -0.11 0.21 -0.42 -0.04 2.99 2.63 2zr2B1 GLU 285 H 0.00 0.04 0.08 -0.55 8.60 8.18 2zr2B1 GLU 285 HA 0.00 -0.08 0.24 -0.75 4.29 3.70 2zr2B1 GLU 285 HB2 -0.01 0.30 -0.20 -0.04 2.09 2.14 2zr2B1 GLU 285 HB3 -0.03 -0.12 0.04 -0.04 1.99 1.83 2zr2B1 GLU 285 HG2 0.02 0.03 -0.41 -0.04 2.34 1.93 2zr2B1 GLU 285 HG3 -0.12 0.02 -0.33 -0.04 2.34 1.87 2zr2B1 ALA 286 H 0.01 0.39 0.02 -0.55 8.40 8.28 2zr2B1 ALA 286 HA 0.04 0.20 0.33 -0.75 4.34 4.16 2zr2B1 ALA 286 HB3 0.01 -0.01 0.09 -0.04 1.41 1.46 2zr2B1 GLY 287 H 0.01 0.02 -0.11 -0.55 8.43 7.81 2zr2B1 GLY 287 HA2 0.02 0.04 0.32 -0.51 4.01 3.88 2zr2B1 GLY 287 HA3 0.01 -0.06 0.27 -0.51 4.01 3.72 2zr2B1 THR 288 H 0.02 0.33 -1.00 -0.55 8.28 7.08 2zr2B1 THR 288 HA 0.02 0.16 0.79 -0.75 4.39 4.61 2zr2B1 THR 288 HB 0.00 0.18 -0.09 -0.04 4.32 4.36 2zr2B1 THR 288 HG23 0.01 -0.31 -0.08 -0.04 1.22 0.80 2zr2B1 ALA 289 H 0.02 -1.01 0.24 -0.55 8.40 7.11 2zr2B1 ALA 289 HA 0.06 0.11 0.37 -0.75 4.34 4.13 2zr2B1 ALA 289 HB3 0.05 0.06 0.02 -0.04 1.41 1.50 2zr2B1 GLY 290 H 0.02 -0.58 0.11 -0.55 8.43 7.43 2zr2B1 GLY 290 HA2 0.01 -0.02 0.35 -0.51 4.01 3.84 2zr2B1 GLY 290 HA3 0.01 0.17 0.46 -0.51 4.01 4.15 2zr2B1 LYS 291 H -0.00 0.08 -0.01 -0.55 8.42 7.94 2zr2B1 LYS 291 HA 0.00 0.26 0.86 -0.75 4.32 4.69 2zr2B1 LYS 291 HB2 0.01 -0.01 -0.10 -0.04 1.87 1.73 2zr2B1 LYS 291 HB3 0.01 -0.21 0.17 -0.04 1.79 1.72 2zr2B1 LYS 291 HG2 0.00 -0.02 -0.07 -0.04 1.46 1.33 2zr2B1 LYS 291 HG3 0.01 0.09 0.06 -0.04 1.46 1.58 2zr2B1 LYS 291 HD2 0.01 0.04 -0.05 -0.04 1.69 1.65 2zr2B1 LYS 291 HD3 0.02 -0.06 -0.02 -0.04 1.68 1.59 2zr2B1 LYS 291 HE2 0.01 -0.03 -0.02 -0.04 2.99 2.91 2zr2B1 LYS 291 HE3 0.01 0.05 -0.01 -0.04 2.99 2.99 2zr2B1 ASP 292 H -0.00 0.07 0.06 -0.55 8.40 7.97 2zr2B1 ASP 292 HA -0.02 0.22 0.72 -0.75 4.63 4.79 2zr2B1 ASP 292 HB2 -0.03 -0.09 0.08 -0.04 2.71 2.63 2zr2B1 ASP 292 HB3 -0.05 0.01 0.01 -0.04 2.70 2.62 2zr2B1 THR 293 H -0.03 0.14 0.13 -0.55 8.28 7.97 2zr2B1 THR 293 HA -0.06 0.06 0.50 -0.75 4.39 4.14 2zr2B1 THR 293 HB 0.06 0.02 0.14 -0.04 4.32 4.50 2zr2B1 THR 293 HG23 0.04 -0.06 -0.04 -0.04 1.22 1.12 2zr2B1 LYS 294 H -0.10 0.14 0.19 -0.55 8.42 8.10 2zr2B1 LYS 294 HA -0.07 0.27 0.84 -0.75 4.32 4.61 2zr2B1 LYS 294 HB2 -0.16 -0.04 0.13 -0.04 1.87 1.76 2zr2B1 LYS 294 HB3 -0.18 0.02 0.23 -0.04 1.79 1.82 2zr2B1 LYS 294 HG2 -0.06 0.21 -0.11 -0.04 1.46 1.45 2zr2B1 LYS 294 HG3 -0.07 0.02 0.01 -0.04 1.46 1.38 2zr2B1 LYS 294 HD2 -0.04 0.03 -0.15 -0.04 1.69 1.49 2zr2B1 LYS 294 HD3 -0.03 -0.01 -0.09 -0.04 1.68 1.51 2zr2B1 LYS 294 HE2 -0.03 0.01 0.03 -0.04 2.99 2.95 2zr2B1 LYS 294 HE3 -0.06 -0.02 0.07 -0.04 2.99 2.94 2zr2B1 GLY 295 H 0.03 -0.03 -0.31 -0.55 8.43 7.57 2zr2B1 GLY 295 HA2 -0.56 0.26 0.74 -0.51 4.01 3.94 2zr2B1 GLY 295 HA3 0.02 -0.12 0.29 -0.51 4.01 3.70 2zr2B1 ILE 296 H 0.59 0.10 -0.04 -0.55 8.25 8.36 2zr2B1 ILE 296 HA 0.05 0.29 0.66 -0.75 4.18 4.43 2zr2B1 ILE 296 HB -0.29 0.03 0.12 -0.04 1.89 1.71 2zr2B1 ILE 296 HG12 0.17 -0.12 -0.08 -0.04 1.49 1.42 2zr2B1 ILE 296 HG13 -0.09 0.04 -0.17 -0.04 1.21 0.95 2zr2B1 ILE 296 HG23 -0.26 0.01 -0.23 -0.04 0.93 0.41 2zr2B1 ILE 296 HD13 -0.07 0.01 -0.03 -0.04 0.88 0.75 2zr2B1 PHE 297 H 0.17 0.01 -0.22 -0.55 8.34 7.75 2zr2B1 PHE 297 HA -0.20 0.17 0.62 -0.75 4.62 4.45 2zr2B1 PHE 297 HB2 -0.22 -0.09 0.01 -0.04 3.15 2.81 2zr2B1 PHE 297 HB3 -0.07 -0.02 -0.00 -0.04 3.06 2.93 2zr2B1 PHE 297 HD2 -0.15 -0.03 -0.08 -0.04 7.28 6.98 2zr2B1 PHE 297 HE2 -0.11 0.06 -0.03 -0.04 7.38 7.26 2zr2B1 PHE 297 HZ -0.09 -0.03 0.02 -0.04 7.32 7.18 2zr2B1 ARG 298 H 0.02 0.08 -0.25 -0.55 8.46 7.75 2zr2B1 ARG 298 HA -0.28 0.19 0.62 -0.75 4.34 4.12 2zr2B1 ARG 298 HB2 -0.00 -0.02 -0.13 -0.04 1.90 1.70 2zr2B1 ARG 298 HB3 0.00 -0.03 0.12 -0.04 1.80 1.85 2zr2B1 ARG 298 HG2 -0.10 0.09 -0.19 -0.04 1.67 1.43 2zr2B1 ARG 298 HG3 -0.13 0.05 -0.02 -0.04 1.67 1.52 2zr2B1 ARG 298 HD2 -0.01 -0.08 -0.05 -0.04 3.22 3.04 2zr2B1 ARG 298 HD3 -0.04 0.04 -0.08 -0.04 3.22 3.10 2zr2B1 VAL 299 H -0.16 0.18 -0.13 -0.55 8.24 7.59 2zr2B1 VAL 299 HA -0.18 0.25 0.94 -0.75 4.13 4.39 2zr2B1 VAL 299 HB 0.13 0.09 0.13 -0.04 2.12 2.43 2zr2B1 VAL 299 HG13 0.12 -0.09 -0.27 -0.04 0.97 0.69 2zr2B1 VAL 299 HG23 0.14 -0.02 -0.22 -0.04 0.95 0.81 2zr2B1 HIS 300 H -0.30 0.67 0.32 -0.55 8.41 8.56 2zr2B1 HIS 300 HA 0.03 0.26 0.64 -0.75 4.63 4.81 2zr2B1 HIS 300 HB2 -1.24 0.00 0.12 -0.04 3.26 2.11 2zr2B1 HIS 300 HB3 -0.13 -0.07 0.11 -0.04 3.20 3.06 2zr2B1 HIS 300 HD2 -0.65 0.15 -0.08 -0.04 6.97 6.35 2zr2B1 HIS 300 HE1 0.05 0.36 0.04 -0.04 7.75 8.15 2zr2B1 GLN 301 H 0.09 0.12 -0.04 -0.55 8.47 8.08 2zr2B1 GLN 301 HA -0.20 0.57 0.90 -0.75 4.36 4.87 2zr2B1 GLN 301 HB2 -0.42 0.03 0.12 -0.04 2.15 1.84 2zr2B1 GLN 301 HB3 0.08 0.02 -0.17 -0.04 2.02 1.91 2zr2B1 GLN 301 HG2 -0.13 -0.07 0.05 -0.04 2.40 2.21 2zr2B1 GLN 301 HG3 -0.09 -0.05 -0.27 -0.04 2.39 1.93 2zr2B1 GLN 301 HE21 -0.08 0.01 -0.01 -0.04 6.97 6.84 2zr2B1 GLN 301 HE22 -0.15 -0.06 -0.06 -0.04 7.69 7.38 2zr2B1 PHE 302 H -0.55 0.52 0.37 -0.55 8.34 8.13 2zr2B1 PHE 302 HA -0.11 0.07 0.56 -0.75 4.62 4.38 2zr2B1 PHE 302 HB2 -0.09 -0.17 0.16 -0.04 3.15 3.01 2zr2B1 PHE 302 HB3 -0.06 0.11 -0.09 -0.04 3.06 2.98 2zr2B1 PHE 302 HD2 -0.07 0.04 -0.37 -0.04 7.28 6.84 2zr2B1 PHE 302 HE2 -0.07 0.02 -0.18 -0.04 7.38 7.11 2zr2B1 PHE 302 HZ -0.08 0.06 -0.10 -0.04 7.32 7.15 2zr2B1 HIS 303 H 0.06 0.05 0.23 -0.55 8.41 8.20 2zr2B1 HIS 303 HA -0.20 0.32 0.96 -0.75 4.63 4.95 2zr2B1 HIS 303 HB2 0.03 -0.10 0.14 -0.04 3.26 3.28 2zr2B1 HIS 303 HB3 -0.03 0.06 0.05 -0.04 3.20 3.23 2zr2B1 HIS 303 HD2 -0.19 0.03 -0.23 -0.04 6.97 6.54 2zr2B1 HIS 303 HE1 0.03 0.02 -0.04 -0.04 7.75 7.71 2zr2B1 LYS 304 H -0.03 0.57 0.34 -0.55 8.42 8.74 2zr2B1 LYS 304 HA 0.09 0.08 0.84 -0.75 4.32 4.57 2zr2B1 LYS 304 HB2 0.26 0.02 -0.09 -0.04 1.87 2.02 2zr2B1 LYS 304 HB3 -0.00 0.01 -0.05 -0.04 1.79 1.70 2zr2B1 LYS 304 HG2 0.05 -0.03 -0.50 -0.04 1.46 0.94 2zr2B1 LYS 304 HG3 0.09 0.05 -0.09 -0.04 1.46 1.47 2zr2B1 LYS 304 HD2 0.08 -0.04 -0.08 -0.04 1.69 1.60 2zr2B1 LYS 304 HD3 0.20 -0.01 -0.04 -0.04 1.68 1.79 2zr2B1 LYS 304 HE2 0.15 0.05 -0.05 -0.04 2.99 3.09 2zr2B1 LYS 304 HE3 0.11 0.05 -0.09 -0.04 2.99 3.02 2zr2B1 VAL 305 H 0.03 0.56 0.39 -0.55 8.24 8.67 2zr2B1 VAL 305 HA -0.00 0.33 1.01 -0.75 4.13 4.71 2zr2B1 VAL 305 HB -0.03 -0.15 0.28 -0.04 2.12 2.17 2zr2B1 VAL 305 HG13 -0.05 0.02 -0.23 -0.04 0.97 0.68 2zr2B1 VAL 305 HG23 -0.02 0.02 0.10 -0.04 0.95 1.00 2zr2B1 GLU 306 H 0.02 0.85 0.34 -0.55 8.60 9.26 2zr2B1 GLU 306 HA 0.03 0.12 0.98 -0.75 4.29 4.66 2zr2B1 GLU 306 HB2 0.04 -0.08 -0.17 -0.04 2.09 1.84 2zr2B1 GLU 306 HB3 0.06 -0.02 -0.03 -0.04 1.99 1.96 2zr2B1 GLU 306 HG2 0.12 -0.13 -0.22 -0.04 2.34 2.07 2zr2B1 GLU 306 HG3 0.14 0.24 -0.31 -0.04 2.34 2.37 2zr2B1 GLN 307 H 0.04 0.72 0.33 -0.55 8.47 9.01 2zr2B1 GLN 307 HA 0.09 0.25 0.99 -0.75 4.36 4.94 2zr2B1 GLN 307 HB2 0.03 -0.10 0.10 -0.04 2.15 2.14 2zr2B1 GLN 307 HB3 0.04 0.03 -0.02 -0.04 2.02 2.04 2zr2B1 GLN 307 HG2 -0.34 0.01 -0.10 -0.04 2.40 1.93 2zr2B1 GLN 307 HG3 -0.09 -0.04 -0.19 -0.04 2.39 2.03 2zr2B1 GLN 307 HE21 -0.03 0.12 -0.03 -0.04 6.97 6.99 2zr2B1 GLN 307 HE22 -0.04 0.28 -0.37 -0.04 7.69 7.52 2zr2B1 PHE 308 H 0.37 0.89 0.41 -0.55 8.34 9.46 2zr2B1 PHE 308 HA 0.03 0.23 1.08 -0.75 4.62 5.20 2zr2B1 PHE 308 HB2 0.08 -0.10 -0.20 -0.04 3.15 2.89 2zr2B1 PHE 308 HB3 0.19 -0.03 0.00 -0.04 3.06 3.18 2zr2B1 PHE 308 HD2 -0.02 -0.08 -0.17 -0.04 7.28 6.97 2zr2B1 PHE 308 HE2 -0.64 -0.02 -0.14 -0.04 7.38 6.54 2zr2B1 PHE 308 HZ -0.20 -0.03 -0.08 -0.04 7.32 6.98 2zr2B1 VAL 309 H -0.80 0.63 0.35 -0.55 8.24 7.87 2zr2B1 VAL 309 HA -0.21 0.41 1.19 -0.75 4.13 4.76 2zr2B1 VAL 309 HB -0.34 -0.12 0.03 -0.04 2.12 1.65 2zr2B1 VAL 309 HG13 -0.81 -0.01 -0.34 -0.04 0.97 -0.23 2zr2B1 VAL 309 HG23 -0.31 0.00 -0.24 -0.04 0.95 0.36 2zr2B1 TYR 310 H -0.01 0.79 0.35 -0.55 8.29 8.88 2zr2B1 TYR 310 HA -0.05 0.20 0.88 -0.75 4.56 4.83 2zr2B1 TYR 310 HB2 -0.08 -0.09 0.27 -0.04 3.06 3.12 2zr2B1 TYR 310 HB3 -0.07 -0.01 0.02 -0.04 2.98 2.88 2zr2B1 TYR 310 HD2 0.27 -0.01 -0.08 -0.04 7.15 7.29 2zr2B1 TYR 310 HE2 0.32 0.05 -0.11 -0.04 6.85 7.07 2zr2B1 SER 311 H -0.09 0.62 0.28 -0.55 8.46 8.72 2zr2B1 SER 311 HA -0.21 0.13 0.87 -0.75 4.49 4.53 2zr2B1 SER 311 HB2 -0.37 0.10 -0.27 -0.04 3.95 3.37 2zr2B1 SER 311 HB3 -0.16 0.02 -0.20 -0.04 3.93 3.55 2zr2B1 ARG 312 H -0.16 0.19 0.08 -0.55 8.46 8.01 2zr2B1 ARG 312 HA -0.61 0.19 0.50 -0.75 4.34 3.66 2zr2B1 ARG 312 HB2 -0.09 -0.12 -0.03 -0.04 1.90 1.62 2zr2B1 ARG 312 HB3 -0.17 0.04 0.05 -0.04 1.80 1.68 2zr2B1 ARG 312 HG2 -0.31 0.04 -0.03 -0.04 1.67 1.33 2zr2B1 ARG 312 HG3 -0.11 0.01 0.00 -0.04 1.67 1.54 2zr2B1 ARG 312 HD2 -0.03 0.19 -0.06 -0.04 3.22 3.28 2zr2B1 ARG 312 HD3 -0.01 -0.04 -0.06 -0.04 3.22 3.07 2zr2B1 PRO 313 HA -1.14 0.03 0.37 -0.51 4.44 3.19 2zr2B1 PRO 313 HB2 -0.09 0.00 0.07 -0.04 2.28 2.23 2zr2B1 PRO 313 HB3 -0.42 0.03 0.07 -0.04 2.02 1.66 2zr2B1 PRO 313 HG2 0.10 0.08 0.09 -0.04 2.03 2.26 2zr2B1 PRO 313 HG3 -0.22 0.15 0.05 -0.04 2.03 1.97 2zr2B1 PRO 313 HD2 0.07 0.05 0.18 -0.04 3.68 3.94 2zr2B1 PRO 313 HD3 -0.21 0.21 0.27 -0.04 3.65 3.88 2zr2B1 GLU 314 H -0.04 0.14 -0.29 -0.55 8.60 7.86 2zr2B1 GLU 314 HA 0.08 0.12 0.42 -0.75 4.29 4.15 2zr2B1 GLU 314 HB2 0.06 0.04 0.13 -0.04 2.09 2.28 2zr2B1 GLU 314 HB3 0.06 0.01 0.06 -0.04 1.99 2.08 2zr2B1 GLU 314 HG2 0.03 0.03 -0.15 -0.04 2.34 2.21 2zr2B1 GLU 314 HG3 0.04 0.04 -0.02 -0.04 2.34 2.36 2zr2B1 GLU 315 H -0.02 0.62 -0.57 -0.55 8.60 8.09 2zr2B1 GLU 315 HA 0.09 0.23 0.97 -0.75 4.29 4.82 2zr2B1 GLU 315 HB2 0.15 -0.01 -0.01 -0.04 2.09 2.19 2zr2B1 GLU 315 HB3 0.27 0.02 0.05 -0.04 1.99 2.29 2zr2B1 GLU 315 HG2 0.04 -0.13 -0.25 -0.04 2.34 1.96 2zr2B1 GLU 315 HG3 0.10 0.07 -0.06 -0.04 2.34 2.40 2zr2B1 SER 316 H -0.02 0.38 -0.03 -0.55 8.46 8.24 2zr2B1 SER 316 HA 0.10 0.07 0.21 -0.75 4.49 4.11 2zr2B1 SER 316 HB2 -0.24 -0.04 -0.00 -0.04 3.95 3.62 2zr2B1 SER 316 HB3 -0.01 0.05 -0.00 -0.04 3.93 3.93 2zr2B1 TRP 317 H 0.07 0.21 -0.17 -0.55 7.97 7.53 2zr2B1 TRP 317 HA 0.11 0.05 0.38 -0.75 4.62 4.40 2zr2B1 TRP 317 HB2 0.04 0.04 0.03 -0.04 3.23 3.30 2zr2B1 TRP 317 HB3 0.01 0.05 -0.01 -0.04 3.23 3.24 2zr2B1 TRP 317 HD1 0.09 0.06 0.01 -0.04 7.22 7.33 2zr2B1 TRP 317 HE1 0.14 0.04 -0.00 -0.04 10.20 10.33 2zr2B1 TRP 317 HE3 0.05 -0.01 0.01 -0.04 7.59 7.60 2zr2B1 TRP 317 HZ2 0.05 0.07 -0.04 -0.04 7.44 7.48 2zr2B1 TRP 317 HZ3 -0.08 0.01 -0.05 -0.04 7.13 6.97 2zr2B1 TRP 317 HH2 -0.10 0.02 -0.16 -0.04 7.19 6.91 2zr2B1 GLU 318 H 0.16 0.18 -0.30 -0.55 8.60 8.10 2zr2B1 GLU 318 HA 0.03 0.06 0.41 -0.75 4.29 4.04 2zr2B1 GLU 318 HB2 -0.01 -0.02 0.08 -0.04 2.09 2.11 2zr2B1 GLU 318 HB3 -0.15 0.15 0.07 -0.04 1.99 2.03 2zr2B1 GLU 318 HG2 -0.36 0.02 -0.08 -0.04 2.34 1.87 2zr2B1 GLU 318 HG3 -0.13 -0.02 0.06 -0.04 2.34 2.21 2zr2B1 TRP 319 H 0.17 0.39 -0.36 -0.55 7.97 7.62 2zr2B1 TRP 319 HA 0.04 0.07 0.49 -0.75 4.62 4.46 2zr2B1 TRP 319 HB2 -0.05 0.10 0.06 -0.04 3.23 3.29 2zr2B1 TRP 319 HB3 -0.02 -0.03 -0.12 -0.04 3.23 3.01 2zr2B1 TRP 319 HD1 -0.06 -0.01 -0.23 -0.04 7.22 6.89 2zr2B1 TRP 319 HE1 -0.06 0.00 -0.05 -0.04 10.20 10.05 2zr2B1 TRP 319 HE3 0.08 -0.10 -0.04 -0.04 7.59 7.49 2zr2B1 TRP 319 HZ2 -0.08 0.05 -0.03 -0.04 7.44 7.35 2zr2B1 TRP 319 HZ3 0.18 0.03 -0.09 -0.04 7.13 7.20 2zr2B1 TRP 319 HH2 -0.07 0.11 -0.04 -0.04 7.19 7.14 2zr2B1 HIS 320 H 0.27 0.44 -0.08 -0.55 8.41 8.49 2zr2B1 HIS 320 HA 0.10 0.04 0.35 -0.75 4.63 4.37 2zr2B1 HIS 320 HB2 -0.05 -0.01 0.06 -0.04 3.26 3.21 2zr2B1 HIS 320 HB3 0.26 0.12 0.07 -0.04 3.20 3.61 2zr2B1 HIS 320 HD2 0.06 0.01 -0.17 -0.04 6.97 6.82 2zr2B1 HIS 320 HE1 -0.44 -0.08 -0.39 -0.04 7.75 6.80 2zr2B1 GLU 321 H 0.17 0.37 -0.37 -0.55 8.60 8.22 2zr2B1 GLU 321 HA -0.03 0.04 0.41 -0.75 4.29 3.96 2zr2B1 GLU 321 HB2 0.07 0.08 0.10 -0.04 2.09 2.30 2zr2B1 GLU 321 HB3 -0.03 0.07 -0.02 -0.04 1.99 1.98 2zr2B1 GLU 321 HG2 -0.03 0.00 -0.02 -0.04 2.34 2.26 2zr2B1 GLU 321 HG3 -0.09 -0.03 0.01 -0.04 2.34 2.20 2zr2B1 LYS 322 H 0.01 0.29 -0.19 -0.55 8.42 7.97 2zr2B1 LYS 322 HA -0.04 0.05 0.41 -0.75 4.32 4.00 2zr2B1 LYS 322 HB2 0.08 0.05 0.03 -0.04 1.87 1.99 2zr2B1 LYS 322 HB3 -0.09 -0.01 0.04 -0.04 1.79 1.70 2zr2B1 LYS 322 HG2 -0.26 -0.06 0.03 -0.04 1.46 1.12 2zr2B1 LYS 322 HG3 -0.38 0.31 0.21 -0.04 1.46 1.56 2zr2B1 LYS 322 HD2 -0.94 -0.04 -0.10 -0.04 1.69 0.57 2zr2B1 LYS 322 HD3 -1.97 -0.00 -0.05 -0.04 1.68 -0.39 2zr2B1 LYS 322 HE2 -0.26 0.01 -0.02 -0.04 2.99 2.68 2zr2B1 LYS 322 HE3 -0.28 -0.03 -0.02 -0.04 2.99 2.61 2zr2B1 ILE 323 H 0.21 0.58 -0.21 -0.55 8.25 8.27 2zr2B1 ILE 323 HA 0.12 0.10 0.49 -0.75 4.18 4.14 2zr2B1 ILE 323 HB 0.10 -0.02 -0.09 -0.04 1.89 1.84 2zr2B1 ILE 323 HG12 0.24 0.26 0.11 -0.04 1.49 2.06 2zr2B1 ILE 323 HG13 0.16 -0.04 -0.08 -0.04 1.21 1.21 2zr2B1 ILE 323 HG23 0.37 0.03 -0.12 -0.04 0.93 1.16 2zr2B1 ILE 323 HD13 0.12 -0.02 -0.26 -0.04 0.88 0.68 2zr2B1 ILE 324 H 0.06 0.44 -0.14 -0.55 8.25 8.06 2zr2B1 ILE 324 HA 0.00 0.02 0.36 -0.75 4.18 3.81 2zr2B1 ILE 324 HB 0.05 0.06 0.08 -0.04 1.89 2.03 2zr2B1 ILE 324 HG12 -0.11 -0.01 -0.11 -0.04 1.49 1.21 2zr2B1 ILE 324 HG13 -0.13 -0.01 -0.19 -0.04 1.21 0.84 2zr2B1 ILE 324 HG23 -0.23 0.04 -0.06 -0.04 0.93 0.64 2zr2B1 ILE 324 HD13 -0.00 -0.01 -0.15 -0.04 0.88 0.68 2zr2B1 ARG 325 H -0.04 0.41 -0.40 -0.55 8.46 7.88 2zr2B1 ARG 325 HA -0.07 -0.02 0.40 -0.75 4.34 3.89 2zr2B1 ARG 325 HB2 -0.04 0.19 0.13 -0.04 1.90 2.13 2zr2B1 ARG 325 HB3 -0.05 -0.04 -0.02 -0.04 1.80 1.65 2zr2B1 ARG 325 HG2 -0.06 -0.05 -0.01 -0.04 1.67 1.50 2zr2B1 ARG 325 HG3 -0.10 -0.06 -0.04 -0.04 1.67 1.42 2zr2B1 ARG 325 HD2 -0.06 0.04 -0.06 -0.04 3.22 3.11 2zr2B1 ARG 325 HD3 -0.06 -0.05 -0.04 -0.04 3.22 3.03 2zr2B1 ASN 326 H -0.01 0.40 -0.25 -0.55 8.53 8.12 2zr2B1 ASN 326 HA -0.05 0.00 0.39 -0.75 4.76 4.35 2zr2B1 ASN 326 HB2 -0.05 0.15 0.16 -0.04 2.88 3.10 2zr2B1 ASN 326 HB3 -0.13 -0.06 -0.02 -0.04 2.79 2.54 2zr2B1 ASN 326 HD21 0.27 -0.02 -0.14 -0.04 7.03 7.09 2zr2B1 ASN 326 HD22 0.03 -0.07 -0.06 -0.04 7.74 7.61 2zr2B1 ALA 327 H -0.04 0.51 -0.23 -0.55 8.40 8.09 2zr2B1 ALA 327 HA -0.01 0.04 0.45 -0.75 4.34 4.07 2zr2B1 ALA 327 HB3 -0.01 0.07 0.07 -0.04 1.41 1.50 2zr2B1 GLU 328 H -0.09 0.55 -0.16 -0.55 8.60 8.35 2zr2B1 GLU 328 HA -0.30 -0.02 0.28 -0.75 4.29 3.50 2zr2B1 GLU 328 HB2 -0.08 0.11 0.12 -0.04 2.09 2.19 2zr2B1 GLU 328 HB3 -0.05 -0.05 -0.09 -0.04 1.99 1.76 2zr2B1 GLU 328 HG2 -0.25 -0.06 -0.10 -0.04 2.34 1.89 2zr2B1 GLU 328 HG3 -0.13 0.21 -0.10 -0.04 2.34 2.28 2zr2B1 GLU 329 H -0.08 0.72 -0.20 -0.55 8.60 8.49 2zr2B1 GLU 329 HA -0.13 -0.05 0.36 -0.75 4.29 3.72 2zr2B1 GLU 329 HB2 -0.07 0.13 0.13 -0.04 2.09 2.25 2zr2B1 GLU 329 HB3 -0.08 0.15 0.12 -0.04 1.99 2.13 2zr2B1 GLU 329 HG2 -0.04 -0.04 -0.05 -0.04 2.34 2.16 2zr2B1 GLU 329 HG3 -0.05 -0.06 0.03 -0.04 2.34 2.22 2zr2B1 LEU 330 H -0.08 0.49 -0.26 -0.55 8.37 7.97 2zr2B1 LEU 330 HA -0.03 -0.02 0.33 -0.75 4.35 3.88 2zr2B1 LEU 330 HB2 -0.13 0.21 0.16 -0.04 1.64 1.83 2zr2B1 LEU 330 HB3 -0.23 -0.09 -0.03 -0.04 1.64 1.24 2zr2B1 LEU 330 HG -0.20 0.23 0.05 -0.04 1.64 1.68 2zr2B1 LEU 330 HD13 -0.25 0.00 -0.06 -0.04 0.93 0.58 2zr2B1 LEU 330 HD23 -0.67 -0.03 -0.07 -0.04 0.89 0.08 2zr2B1 PHE 331 H 0.07 0.54 -0.13 -0.55 8.34 8.27 2zr2B1 PHE 331 HA 0.03 0.01 0.45 -0.75 4.62 4.36 2zr2B1 PHE 331 HB2 -0.30 0.10 0.08 -0.04 3.15 2.98 2zr2B1 PHE 331 HB3 -0.03 0.04 -0.04 -0.04 3.06 2.99 2zr2B1 PHE 331 HD2 -0.04 0.16 -0.01 -0.04 7.28 7.35 2zr2B1 PHE 331 HE2 -0.01 0.05 -0.01 -0.04 7.38 7.37 2zr2B1 PHE 331 HZ -0.01 -0.10 -0.02 -0.04 7.32 7.15 2zr2B1 GLN 332 H -0.15 0.64 -0.19 -0.55 8.47 8.22 2zr2B1 GLN 332 HA -0.80 0.03 0.43 -0.75 4.36 3.27 2zr2B1 GLN 332 HB2 -0.35 0.14 0.15 -0.04 2.15 2.06 2zr2B1 GLN 332 HB3 -0.52 -0.07 -0.03 -0.04 2.02 1.36 2zr2B1 GLN 332 HG2 -3.62 -0.07 -0.04 -0.04 2.40 -1.37 2zr2B1 GLN 332 HG3 -0.75 0.11 -0.06 -0.04 2.39 1.65 2zr2B1 GLN 332 HE21 -0.24 -0.02 -0.09 -0.04 6.97 6.58 2zr2B1 GLN 332 HE22 -0.44 -0.00 -0.13 -0.04 7.69 7.08 2zr2B1 GLU 333 H -0.04 0.60 -0.09 -0.55 8.60 8.53 2zr2B1 GLU 333 HA 0.02 0.00 0.41 -0.75 4.29 3.97 2zr2B1 GLU 333 HB2 0.17 0.14 0.07 -0.04 2.09 2.43 2zr2B1 GLU 333 HB3 0.02 -0.12 0.05 -0.04 1.99 1.91 2zr2B1 GLU 333 HG2 0.03 -0.08 0.03 -0.04 2.34 2.28 2zr2B1 GLU 333 HG3 0.03 0.34 0.08 -0.04 2.34 2.76 2zr2B1 LEU 334 H -0.00 0.35 -0.43 -0.55 8.37 7.75 2zr2B1 LEU 334 HA -0.08 -0.04 0.44 -0.75 4.35 3.91 2zr2B1 LEU 334 HB2 -0.14 0.23 0.15 -0.04 1.64 1.84 2zr2B1 LEU 334 HB3 0.01 -0.00 -0.01 -0.04 1.64 1.59 2zr2B1 LEU 334 HG -0.06 -0.02 0.03 -0.04 1.64 1.55 2zr2B1 LEU 334 HD13 -0.24 -0.00 -0.09 -0.04 0.93 0.55 2zr2B1 LEU 334 HD23 -0.30 -0.02 -0.07 -0.04 0.89 0.46 2zr2B1 GLU 335 H 0.16 0.28 -0.84 -0.55 8.60 7.65 2zr2B1 GLU 335 HA 0.48 0.04 0.29 -0.75 4.29 4.35 2zr2B1 GLU 335 HB2 0.29 0.16 -0.19 -0.04 2.09 2.31 2zr2B1 GLU 335 HB3 0.37 -0.06 0.24 -0.04 1.99 2.50 2zr2B1 GLU 335 HG2 0.24 -0.07 0.04 -0.04 2.34 2.51 2zr2B1 GLU 335 HG3 0.16 0.15 -0.08 -0.04 2.34 2.52 2zr2B1 ILE 336 H 0.43 0.50 -0.04 -0.55 8.25 8.59 2zr2B1 ILE 336 HA 0.27 0.22 0.88 -0.75 4.18 4.80 2zr2B1 ILE 336 HB 0.56 -0.08 0.04 -0.04 1.89 2.37 2zr2B1 ILE 336 HG12 0.29 0.01 -0.39 -0.04 1.49 1.37 2zr2B1 ILE 336 HG13 0.39 -0.13 -0.10 -0.04 1.21 1.34 2zr2B1 ILE 336 HG23 0.31 0.04 -0.03 -0.04 0.93 1.20 2zr2B1 ILE 336 HD13 0.19 0.04 -0.25 -0.04 0.88 0.83 2zr2B1 PRO 337 HA 0.41 0.16 0.51 -0.51 4.44 5.01 2zr2B1 PRO 337 HB2 0.35 -0.09 -0.03 -0.04 2.28 2.46 2zr2B1 PRO 337 HB3 0.13 0.01 -0.20 -0.04 2.02 1.93 2zr2B1 PRO 337 HG2 0.18 -0.01 -0.01 -0.04 2.03 2.14 2zr2B1 PRO 337 HG3 0.13 0.01 -0.10 -0.04 2.03 2.03 2zr2B1 PRO 337 HD2 0.28 0.07 0.26 -0.04 3.68 4.25 2zr2B1 PRO 337 HD3 0.20 0.35 0.29 -0.04 3.65 4.45 2zr2B1 TYR 338 H 0.20 0.73 0.42 -0.55 8.29 9.09 2zr2B1 TYR 338 HA 0.56 0.02 0.62 -0.75 4.56 5.00 2zr2B1 TYR 338 HB2 0.14 0.01 -0.10 -0.04 3.06 3.07 2zr2B1 TYR 338 HB3 0.23 0.13 -0.40 -0.04 2.98 2.90 2zr2B1 TYR 338 HD2 0.19 0.22 -0.40 -0.04 7.15 7.13 2zr2B1 TYR 338 HE2 -0.19 -0.02 -0.24 -0.04 6.85 6.37 2zr2B1 ARG 339 H 0.35 0.59 0.36 -0.55 8.46 9.21 2zr2B1 ARG 339 HA -0.14 0.19 0.93 -0.75 4.34 4.56 2zr2B1 ARG 339 HB2 -0.89 0.08 0.16 -0.04 1.90 1.21 2zr2B1 ARG 339 HB3 -0.35 -0.00 -0.02 -0.04 1.80 1.38 2zr2B1 ARG 339 HG2 -0.58 0.01 0.01 -0.04 1.67 1.07 2zr2B1 ARG 339 HG3 -0.26 -0.12 -0.24 -0.04 1.67 1.00 2zr2B1 ARG 339 HD2 -0.46 0.01 -0.08 -0.04 3.22 2.65 2zr2B1 ARG 339 HD3 -0.88 0.11 -0.06 -0.04 3.22 2.35 2zr2B1 VAL 340 H -0.22 0.59 0.32 -0.55 8.24 8.38 2zr2B1 VAL 340 HA -0.04 0.29 1.19 -0.75 4.13 4.82 2zr2B1 VAL 340 HB -0.03 -0.01 -0.04 -0.04 2.12 2.01 2zr2B1 VAL 340 HG13 0.00 -0.02 -0.05 -0.04 0.97 0.86 2zr2B1 VAL 340 HG23 -0.15 -0.01 -0.18 -0.04 0.95 0.57 2zr2B1 VAL 341 H -0.04 0.45 0.28 -0.55 8.24 8.38 2zr2B1 VAL 341 HA -0.08 0.24 1.04 -0.75 4.13 4.58 2zr2B1 VAL 341 HB -0.04 0.07 -0.36 -0.04 2.12 1.74 2zr2B1 VAL 341 HG13 -0.13 0.00 -0.29 -0.04 0.97 0.51 2zr2B1 VAL 341 HG23 -0.02 -0.02 -0.08 -0.04 0.95 0.80 2zr2B1 ASN 342 H 0.02 0.82 0.32 -0.55 8.53 9.14 2zr2B1 ASN 342 HA 0.16 0.10 0.82 -0.75 4.76 5.09 2zr2B1 ASN 342 HB2 0.20 -0.05 0.12 -0.04 2.88 3.11 2zr2B1 ASN 342 HB3 0.05 0.06 0.25 -0.04 2.79 3.11 2zr2B1 ASN 342 HD21 -0.06 -0.06 0.01 -0.04 7.03 6.89 2zr2B1 ASN 342 HD22 -0.09 0.07 0.17 -0.04 7.74 7.85 2zr2B1 ILE 343 H -0.02 0.67 0.36 -0.55 8.25 8.72 2zr2B1 ILE 343 HA -0.01 -0.07 0.43 -0.75 4.18 3.78 2zr2B1 ILE 343 HB -0.04 -0.04 0.05 -0.04 1.89 1.82 2zr2B1 ILE 343 HG12 -0.00 0.17 -0.10 -0.04 1.49 1.52 2zr2B1 ILE 343 HG13 -0.02 -0.02 -0.16 -0.04 1.21 0.96 2zr2B1 ILE 343 HG23 -0.03 0.05 -0.37 -0.04 0.93 0.54 2zr2B1 ILE 343 HD13 -0.01 -0.04 -0.19 -0.04 0.88 0.61 2zr2B1 CYS 344 H -0.02 -0.00 0.04 -0.55 8.50 7.97 2zr2B1 CYS 344 HA -0.03 0.32 0.62 -0.75 4.58 4.74 2zr2B1 CYS 344 HB2 -0.02 0.14 -0.31 -0.04 2.97 2.73 2zr2B1 CYS 344 HB3 -0.02 0.15 -0.18 -0.04 2.97 2.88 2zr2B1 THR 345 H -0.04 0.66 0.19 -0.55 8.28 8.54 2zr2B1 THR 345 HA -0.06 0.05 0.27 -0.75 4.39 3.89 2zr2B1 THR 345 HB -0.06 0.00 0.07 -0.04 4.32 4.28 2zr2B1 THR 345 HG23 -0.05 0.06 -0.12 -0.04 1.22 1.08 2zr2B1 GLY 346 H -0.03 0.14 -0.26 -0.55 8.43 7.73 2zr2B1 GLY 346 HA2 -0.03 0.13 0.52 -0.51 4.01 4.12 2zr2B1 GLY 346 HA3 -0.02 0.16 0.15 -0.51 4.01 3.78 2zr2B1 ASP 347 H -0.03 0.50 -0.35 -0.55 8.40 7.97 2zr2B1 ASP 347 HA -0.01 0.15 0.76 -0.75 4.63 4.78 2zr2B1 ASP 347 HB2 -0.01 -0.18 -0.47 -0.04 2.71 2.01 2zr2B1 ASP 347 HB3 -0.02 0.02 -0.13 -0.04 2.70 2.53 2zr2B1 LEU 348 H -0.04 0.28 -0.41 -0.55 8.37 7.65 2zr2B1 LEU 348 HA -0.05 0.01 0.28 -0.75 4.35 3.83 2zr2B1 LEU 348 HB2 -0.06 0.05 -0.30 -0.04 1.64 1.29 2zr2B1 LEU 348 HB3 -0.09 0.13 0.01 -0.04 1.64 1.64 2zr2B1 LEU 348 HG -0.12 0.04 -0.38 -0.04 1.64 1.14 2zr2B1 LEU 348 HD13 -0.07 -0.03 -0.26 -0.04 0.93 0.52 2zr2B1 LEU 348 HD23 -0.08 0.00 -0.28 -0.04 0.89 0.49 2zr2B1 GLY 349 H -0.05 0.16 -0.12 -0.55 8.43 7.87 2zr2B1 GLY 349 HA2 0.04 -0.03 0.28 -0.51 4.01 3.79 2zr2B1 GLY 349 HA3 -0.06 0.14 0.73 -0.51 4.01 4.31 2zr2B1 TYR 350 H 0.12 0.04 0.13 -0.55 8.29 8.03 2zr2B1 TYR 350 HA -0.25 0.22 0.56 -0.75 4.56 4.34 2zr2B1 TYR 350 HB2 -0.18 -0.14 0.14 -0.04 3.06 2.84 2zr2B1 TYR 350 HB3 -0.24 0.13 -0.10 -0.04 2.98 2.73 2zr2B1 TYR 350 HD2 0.06 -0.01 -0.17 -0.04 7.15 6.99 2zr2B1 TYR 350 HE2 0.02 0.21 0.00 -0.04 6.85 7.05 2zr2B1 VAL 351 H -0.43 -0.01 -0.05 -0.55 8.24 7.20 2zr2B1 VAL 351 HA -2.04 0.26 0.73 -0.75 4.13 2.33 2zr2B1 VAL 351 HB -0.80 0.10 -0.01 -0.04 2.12 1.37 2zr2B1 VAL 351 HG13 -0.40 0.02 0.05 -0.04 0.97 0.60 2zr2B1 VAL 351 HG23 -0.22 -0.01 -0.18 -0.04 0.95 0.50 2zr2B1 ALA 352 H -0.32 0.05 -0.24 -0.55 8.40 7.34 2zr2B1 ALA 352 HA -0.27 0.14 0.63 -0.75 4.34 4.08 2zr2B1 ALA 352 HB3 -0.17 0.02 -0.05 -0.04 1.41 1.16 2zr2B1 ALA 353 H -0.18 0.56 0.42 -0.55 8.40 8.65 2zr2B1 ALA 353 HA -0.04 0.24 0.50 -0.75 4.34 4.28 2zr2B1 ALA 353 HB3 0.08 -0.02 0.02 -0.04 1.41 1.44 2zr2B1 LYS 354 H -0.09 0.19 0.31 -0.55 8.42 8.28 2zr2B1 LYS 354 HA -0.00 0.20 0.49 -0.75 4.32 4.25 2zr2B1 LYS 354 HB2 0.21 0.03 -0.03 -0.04 1.87 2.04 2zr2B1 LYS 354 HB3 0.41 -0.09 0.00 -0.04 1.79 2.07 2zr2B1 LYS 354 HG2 -0.15 -0.00 -0.12 -0.04 1.46 1.14 2zr2B1 LYS 354 HG3 -0.07 0.09 0.09 -0.04 1.46 1.53 2zr2B1 LYS 354 HD2 -0.15 -0.04 -0.07 -0.04 1.69 1.39 2zr2B1 LYS 354 HD3 -0.00 -0.06 -0.07 -0.04 1.68 1.50 2zr2B1 LYS 354 HE2 -0.29 -0.00 -0.09 -0.04 2.99 2.56 2zr2B1 LYS 354 HE3 -0.04 0.12 -0.11 -0.04 2.99 2.93 2zr2B1 LYS 355 H -0.11 0.29 0.18 -0.55 8.42 8.22 2zr2B1 LYS 355 HA 0.02 0.24 0.98 -0.75 4.32 4.81 2zr2B1 LYS 355 HB2 -0.08 -0.00 -0.23 -0.04 1.87 1.52 2zr2B1 LYS 355 HB3 -0.06 0.00 -0.02 -0.04 1.79 1.66 2zr2B1 LYS 355 HG2 -0.01 -0.07 -0.29 -0.04 1.46 1.05 2zr2B1 LYS 355 HG3 0.01 0.18 0.01 -0.04 1.46 1.63 2zr2B1 LYS 355 HD2 -0.03 -0.10 -0.17 -0.04 1.69 1.35 2zr2B1 LYS 355 HD3 -0.07 0.01 -0.10 -0.04 1.68 1.48 2zr2B1 LYS 355 HE2 -0.04 0.07 -0.06 -0.04 2.99 2.92 2zr2B1 LYS 355 HE3 -0.02 -0.09 -0.11 -0.04 2.99 2.73 2zr2B1 TYR 356 H 0.12 0.55 0.41 -0.55 8.29 8.82 2zr2B1 TYR 356 HA -0.02 0.35 1.20 -0.75 4.56 5.34 2zr2B1 TYR 356 HB2 -0.07 -0.07 0.08 -0.04 3.06 2.95 2zr2B1 TYR 356 HB3 -0.07 0.05 -0.03 -0.04 2.98 2.89 2zr2B1 TYR 356 HD2 -0.27 0.05 -0.09 -0.04 7.15 6.79 2zr2B1 TYR 356 HE2 -0.29 0.01 -0.14 -0.04 6.85 6.39 2zr2B1 ASP 357 H 0.08 0.60 0.38 -0.55 8.40 8.91 2zr2B1 ASP 357 HA 0.00 0.17 1.13 -0.75 4.63 5.17 2zr2B1 ASP 357 HB2 -0.00 0.01 0.09 -0.04 2.71 2.76 2zr2B1 ASP 357 HB3 -0.02 -0.02 -0.01 -0.04 2.70 2.62 2zr2B1 ILE 358 H -0.10 0.63 0.32 -0.55 8.25 8.56 2zr2B1 ILE 358 HA -0.09 0.27 1.07 -0.75 4.18 4.67 2zr2B1 ILE 358 HB -0.33 -0.13 0.15 -0.04 1.89 1.54 2zr2B1 ILE 358 HG12 -0.28 0.05 -0.13 -0.04 1.49 1.09 2zr2B1 ILE 358 HG13 -0.16 -0.07 -0.25 -0.04 1.21 0.69 2zr2B1 ILE 358 HG23 -0.57 0.01 -0.27 -0.04 0.93 0.06 2zr2B1 ILE 358 HD13 -0.31 0.03 -0.21 -0.04 0.88 0.35 2zr2B1 GLU 359 H 0.03 0.74 0.25 -0.55 8.60 9.07 2zr2B1 GLU 359 HA 0.04 0.24 0.84 -0.75 4.29 4.66 2zr2B1 GLU 359 HB2 0.06 0.04 0.00 -0.04 2.09 2.16 2zr2B1 GLU 359 HB3 0.22 -0.06 -0.36 -0.04 1.99 1.76 2zr2B1 GLU 359 HG2 0.05 -0.09 -0.45 -0.04 2.34 1.81 2zr2B1 GLU 359 HG3 0.01 -0.08 -0.39 -0.04 2.34 1.84 2zr2B1 ALA 360 H 0.05 0.43 0.24 -0.55 8.40 8.58 2zr2B1 ALA 360 HA 0.33 0.23 0.73 -0.75 4.34 4.87 2zr2B1 ALA 360 HB3 0.04 0.01 0.05 -0.04 1.41 1.47 2zr2B1 TRP 361 H 0.42 0.62 0.15 -0.55 7.97 8.61 2zr2B1 TRP 361 HA -0.64 -0.01 0.35 -0.75 4.62 3.56 2zr2B1 TRP 361 HB2 -0.31 0.00 -0.11 -0.04 3.23 2.77 2zr2B1 TRP 361 HB3 -0.01 0.07 0.03 -0.04 3.23 3.28 2zr2B1 TRP 361 HD1 -0.07 0.00 -0.06 -0.04 7.22 7.05 2zr2B1 TRP 361 HE1 -0.11 0.47 0.04 -0.04 10.20 10.55 2zr2B1 TRP 361 HE3 -1.83 0.01 -0.30 -0.04 7.59 5.43 2zr2B1 TRP 361 HZ2 -0.02 -0.05 -0.05 -0.04 7.44 7.27 2zr2B1 TRP 361 HZ3 -0.17 0.02 -0.30 -0.04 7.13 6.63 2zr2B1 TRP 361 HH2 0.04 0.11 -0.22 -0.04 7.19 7.08 2zr2B1 MET 362 H -1.37 0.49 0.11 -0.55 8.47 7.15 2zr2B1 MET 362 HA -0.46 0.24 0.86 -0.75 4.52 4.41 2zr2B1 MET 362 HB2 -0.59 0.04 0.23 -0.04 2.15 1.80 2zr2B1 MET 362 HB3 -0.39 -0.23 0.07 -0.04 2.03 1.44 2zr2B1 MET 362 HG2 -0.27 0.26 -0.18 -0.04 2.63 2.40 2zr2B1 MET 362 HG3 -0.32 -0.10 -0.05 -0.04 2.56 2.05 2zr2B1 MET 362 HE3 0.01 0.02 -0.05 -0.04 2.10 2.04 2zr2B1 PRO 363 HA 0.00 0.07 0.39 -0.51 4.44 4.39 2zr2B1 PRO 363 HB2 -0.07 0.10 0.06 -0.04 2.28 2.33 2zr2B1 PRO 363 HB3 0.03 0.03 0.08 -0.04 2.02 2.12 2zr2B1 PRO 363 HG2 0.04 0.15 0.00 -0.04 2.03 2.18 2zr2B1 PRO 363 HG3 0.30 0.05 0.09 -0.04 2.03 2.43 2zr2B1 PRO 363 HD2 -0.19 -0.03 -0.04 -0.04 3.68 3.38 2zr2B1 PRO 363 HD3 -0.33 0.43 -0.07 -0.04 3.65 3.64 2zr2B1 GLY 364 H -0.18 0.08 -0.18 -0.55 8.43 7.60 2zr2B1 GLY 364 HA2 -0.12 0.31 0.23 -0.51 4.01 3.92 2zr2B1 GLY 364 HA3 -0.12 0.02 -0.01 -0.51 4.01 3.40 2zr2B1 GLN 365 H -0.30 0.04 -0.16 -0.55 8.47 7.51 2zr2B1 GLN 365 HA -0.20 0.05 0.43 -0.75 4.36 3.88 2zr2B1 GLN 365 HB2 -0.42 0.08 0.09 -0.04 2.15 1.86 2zr2B1 GLN 365 HB3 -0.31 0.02 -0.01 -0.04 2.02 1.68 2zr2B1 GLN 365 HG2 -0.21 -0.02 0.01 -0.04 2.40 2.13 2zr2B1 GLN 365 HG3 -0.24 -0.10 0.03 -0.04 2.39 2.04 2zr2B1 GLN 365 HE21 -0.82 0.02 -0.01 -0.04 6.97 6.12 2zr2B1 GLN 365 HE22 -0.28 -0.12 0.01 -0.04 7.69 7.25 2zr2B1 GLY 366 H -0.57 0.50 -0.22 -0.55 8.43 7.60 2zr2B1 GLY 366 HA2 -0.39 0.01 0.24 -0.51 4.01 3.36 2zr2B1 GLY 366 HA3 -1.20 0.06 0.48 -0.51 4.01 2.84 2zr2B1 LYS 367 H -0.78 0.16 -0.11 -0.55 8.42 7.13 2zr2B1 LYS 367 HA -0.08 0.16 0.53 -0.75 4.32 4.18 2zr2B1 LYS 367 HB2 -0.06 0.09 -0.03 -0.04 1.87 1.84 2zr2B1 LYS 367 HB3 -0.04 0.07 -0.01 -0.04 1.79 1.78 2zr2B1 LYS 367 HG2 -0.28 0.09 -0.63 -0.04 1.46 0.60 2zr2B1 LYS 367 HG3 -0.25 -0.08 -0.23 -0.04 1.46 0.85 2zr2B1 LYS 367 HD2 -0.08 -0.00 -0.08 -0.04 1.69 1.48 2zr2B1 LYS 367 HD3 -0.07 0.03 -0.11 -0.04 1.68 1.49 2zr2B1 LYS 367 HE2 -0.14 0.15 -0.04 -0.04 2.99 2.92 2zr2B1 LYS 367 HE3 -0.15 -0.10 -0.07 -0.04 2.99 2.62 2zr2B1 PHE 368 H 0.26 0.17 0.07 -0.55 8.34 8.29 2zr2B1 PHE 368 HA 0.04 0.29 0.55 -0.75 4.62 4.75 2zr2B1 PHE 368 HB2 0.10 -0.02 0.04 -0.04 3.15 3.23 2zr2B1 PHE 368 HB3 0.10 -0.00 -0.22 -0.04 3.06 2.90 2zr2B1 PHE 368 HD2 0.25 0.09 -0.25 -0.04 7.28 7.32 2zr2B1 PHE 368 HE2 0.10 0.01 -0.25 -0.04 7.38 7.20 2zr2B1 PHE 368 HZ 0.06 0.01 -0.16 -0.04 7.32 7.19 2zr2B1 ARG 369 H 0.06 0.70 0.20 -0.55 8.46 8.87 2zr2B1 ARG 369 HA 0.06 0.16 0.90 -0.75 4.34 4.71 2zr2B1 ARG 369 HB2 -0.02 0.01 0.00 -0.04 1.90 1.86 2zr2B1 ARG 369 HB3 0.16 0.01 0.03 -0.04 1.80 1.96 2zr2B1 ARG 369 HG2 -0.29 0.06 -0.30 -0.04 1.67 1.11 2zr2B1 ARG 369 HG3 -0.60 -0.10 -0.09 -0.04 1.67 0.85 2zr2B1 ARG 369 HD2 -0.07 0.46 -0.42 -0.04 3.22 3.15 2zr2B1 ARG 369 HD3 -0.22 -0.06 -0.23 -0.04 3.22 2.67 2zr2B1 GLU 370 H 0.12 0.12 0.11 -0.55 8.60 8.40 2zr2B1 GLU 370 HA 0.00 0.10 0.47 -0.75 4.29 4.11 2zr2B1 GLU 370 HB2 0.01 0.02 0.06 -0.04 2.09 2.13 2zr2B1 GLU 370 HB3 0.01 -0.02 0.12 -0.04 1.99 2.05 2zr2B1 GLU 370 HG2 -0.08 -0.01 -0.46 -0.04 2.34 1.75 2zr2B1 GLU 370 HG3 -0.05 0.07 -0.07 -0.04 2.34 2.25 2zr2B1 VAL 371 H -0.11 0.55 0.53 -0.55 8.24 8.65 2zr2B1 VAL 371 HA -0.10 0.08 0.87 -0.75 4.13 4.22 2zr2B1 VAL 371 HB -0.16 -0.00 0.08 -0.04 2.12 1.99 2zr2B1 VAL 371 HG13 -0.86 0.01 -0.11 -0.04 0.97 -0.03 2zr2B1 VAL 371 HG23 0.01 -0.02 -0.07 -0.04 0.95 0.83 2zr2B1 VAL 372 H -0.16 0.29 0.40 -0.55 8.24 8.21 2zr2B1 VAL 372 HA -0.05 0.09 0.63 -0.75 4.13 4.04 2zr2B1 VAL 372 HB 0.00 0.05 -0.03 -0.04 2.12 2.10 2zr2B1 VAL 372 HG13 -0.37 0.01 -0.19 -0.04 0.97 0.37 2zr2B1 VAL 372 HG23 -0.05 -0.03 -0.18 -0.04 0.95 0.65 2zr2B1 SER 373 H -0.01 0.17 0.25 -0.55 8.46 8.31 2zr2B1 SER 373 HA 0.00 0.26 0.97 -0.75 4.49 4.96 2zr2B1 SER 373 HB2 -0.02 0.01 -0.08 -0.04 3.95 3.81 2zr2B1 SER 373 HB3 -0.01 -0.06 0.03 -0.04 3.93 3.84 2zr2B1 ALA 374 H 0.07 0.81 0.42 -0.55 8.40 9.16 2zr2B1 ALA 374 HA 0.06 0.20 1.21 -0.75 4.34 5.06 2zr2B1 ALA 374 HB3 0.15 0.00 0.05 -0.04 1.41 1.57 2zr2B1 SER 375 H -0.01 0.71 0.45 -0.55 8.46 9.07 2zr2B1 SER 375 HA -0.17 0.31 1.31 -0.75 4.49 5.19 2zr2B1 SER 375 HB2 -0.14 -0.06 -0.02 -0.04 3.95 3.68 2zr2B1 SER 375 HB3 -0.20 0.02 0.05 -0.04 3.93 3.75 2zr2B1 ASN 376 H -0.57 0.44 0.38 -0.55 8.53 8.23 2zr2B1 ASN 376 HA -0.46 0.19 0.99 -0.75 4.76 4.72 2zr2B1 ASN 376 HB2 -0.94 0.04 0.06 -0.04 2.88 2.01 2zr2B1 ASN 376 HB3 -0.90 -0.03 0.22 -0.04 2.79 2.04 2zr2B1 ASN 376 HD21 -1.49 -0.07 -0.13 -0.04 7.03 5.30 2zr2B1 ASN 376 HD22 -2.27 0.03 -0.17 -0.04 7.74 5.29 2zr2B1 CYS 377 H -0.32 0.85 0.40 -0.55 8.50 8.88 2zr2B1 CYS 377 HA -0.25 0.28 0.95 -0.75 4.58 4.80 2zr2B1 CYS 377 HB2 -0.13 0.00 0.06 -0.04 2.97 2.86 2zr2B1 CYS 377 HB3 -0.08 0.03 0.16 -0.04 2.97 3.03 2zr2B1 THR 378 H -0.46 0.02 -0.03 -0.55 8.28 7.26 2zr2B1 THR 378 HA -1.20 -0.01 0.39 -0.75 4.39 2.83 2zr2B1 THR 378 HB -0.63 0.00 0.23 -0.04 4.32 3.87 2zr2B1 THR 378 HG23 -0.31 0.01 -0.04 -0.04 1.22 0.84 2zr2B1 ASP 379 H -0.22 0.13 0.28 -0.55 8.40 8.04 2zr2B1 ASP 379 HA 0.02 0.28 1.02 -0.75 4.63 5.19 2zr2B1 ASP 379 HB2 0.01 -0.01 0.19 -0.04 2.71 2.85 2zr2B1 ASP 379 HB3 0.18 0.01 0.01 -0.04 2.70 2.85 2zr2B1 TRP 380 H 0.08 0.56 0.11 -0.55 7.97 8.18 2zr2B1 TRP 380 HA -0.20 0.25 0.48 -0.75 4.62 4.40 2zr2B1 TRP 380 HB2 -0.15 -0.01 0.22 -0.04 3.23 3.25 2zr2B1 TRP 380 HB3 -0.13 -0.09 0.19 -0.04 3.23 3.16 2zr2B1 TRP 380 HD1 -0.12 -0.19 -0.10 -0.04 7.22 6.77 2zr2B1 TRP 380 HE1 -0.08 0.24 -0.11 -0.04 10.20 10.21 2zr2B1 TRP 380 HE3 -0.10 -0.04 -0.32 -0.04 7.59 7.09 2zr2B1 TRP 380 HZ2 0.05 -0.04 -0.26 -0.04 7.44 7.15 2zr2B1 TRP 380 HZ3 -0.05 -0.02 -0.56 -0.04 7.13 6.46 2zr2B1 TRP 380 HH2 -0.05 -0.14 -0.55 -0.04 7.19 6.41 2zr2B1 GLN 381 H 0.21 0.08 -0.01 -0.55 8.47 8.21 2zr2B1 GLN 381 HA 0.10 0.32 0.56 -0.75 4.36 4.59 2zr2B1 GLN 381 HB2 0.12 -0.12 0.03 -0.04 2.15 2.14 2zr2B1 GLN 381 HB3 0.14 0.08 0.04 -0.04 2.02 2.24 2zr2B1 GLN 381 HG2 0.30 0.18 0.07 -0.04 2.40 2.91 2zr2B1 GLN 381 HG3 0.20 -0.09 0.07 -0.04 2.39 2.53 2zr2B1 GLN 381 HE21 0.19 -0.12 -0.05 -0.04 6.97 6.95 2zr2B1 GLN 381 HE22 0.12 0.35 0.15 -0.04 7.69 8.27 2zr2B1 ALA 382 H 0.04 0.04 -0.29 -0.55 8.40 7.64 2zr2B1 ALA 382 HA 0.15 -0.01 0.32 -0.75 4.34 4.05 2zr2B1 ALA 382 HB3 0.19 0.02 0.13 -0.04 1.41 1.71 2zr2B1 ARG 383 H -0.31 0.68 -0.21 -0.55 8.46 8.07 2zr2B1 ARG 383 HA -0.94 -0.07 0.45 -0.75 4.34 3.03 2zr2B1 ARG 383 HB2 -0.50 0.33 0.21 -0.04 1.90 1.90 2zr2B1 ARG 383 HB3 -0.54 -0.04 -0.06 -0.04 1.80 1.11 2zr2B1 ARG 383 HG2 -0.71 -0.12 0.03 -0.04 1.67 0.84 2zr2B1 ARG 383 HG3 -1.18 -0.08 0.06 -0.04 1.67 0.44 2zr2B1 ARG 383 HD2 -0.30 0.22 0.03 -0.04 3.22 3.14 2zr2B1 ARG 383 HD3 -0.30 -0.09 -0.13 -0.04 3.22 2.66 2zr2B1 ARG 384 H -0.34 0.39 -0.20 -0.55 8.46 7.77 2zr2B1 ARG 384 HA -0.49 0.01 0.55 -0.75 4.34 3.66 2zr2B1 ARG 384 HB2 -0.18 0.12 0.28 -0.04 1.90 2.09 2zr2B1 ARG 384 HB3 -0.15 -0.09 0.07 -0.04 1.80 1.58 2zr2B1 ARG 384 HG2 -1.69 -0.13 0.06 -0.04 1.67 -0.14 2zr2B1 ARG 384 HG3 -0.97 0.14 0.14 -0.04 1.67 0.95 2zr2B1 ARG 384 HD2 -1.83 0.11 -0.10 -0.04 3.22 1.35 2zr2B1 ARG 384 HD3 -0.34 0.05 -0.00 -0.04 3.22 2.88 2zr2B1 LEU 385 H 0.04 0.70 0.08 -0.55 8.37 8.64 2zr2B1 LEU 385 HA 0.23 0.08 0.57 -0.75 4.35 4.48 2zr2B1 LEU 385 HB2 0.17 0.01 -0.06 -0.04 1.64 1.73 2zr2B1 LEU 385 HB3 0.21 -0.09 0.07 -0.04 1.64 1.79 2zr2B1 LEU 385 HG 0.12 0.16 0.00 -0.04 1.64 1.88 2zr2B1 LEU 385 HD13 0.12 0.01 -0.30 -0.04 0.93 0.71 2zr2B1 LEU 385 HD23 0.22 -0.01 -0.10 -0.04 0.89 0.96 2zr2B1 ASN 386 H 0.12 0.27 -0.59 -0.55 8.53 7.78 2zr2B1 ASN 386 HA 0.35 0.06 0.28 -0.75 4.76 4.70 2zr2B1 ASN 386 HB2 0.15 0.07 -0.14 -0.04 2.88 2.92 2zr2B1 ASN 386 HB3 0.13 0.05 0.11 -0.04 2.79 3.03 2zr2B1 ASN 386 HD21 0.06 -0.04 0.00 -0.04 7.03 7.01 2zr2B1 ASN 386 HD22 0.07 0.01 0.05 -0.04 7.74 7.82 2zr2B1 ILE 387 H 0.32 0.45 0.08 -0.55 8.25 8.55 2zr2B1 ILE 387 HA 0.19 0.23 0.94 -0.75 4.18 4.79 2zr2B1 ILE 387 HB 0.30 -0.14 0.12 -0.04 1.89 2.14 2zr2B1 ILE 387 HG12 0.26 0.22 -0.39 -0.04 1.49 1.55 2zr2B1 ILE 387 HG13 0.24 -0.09 -0.34 -0.04 1.21 0.98 2zr2B1 ILE 387 HG23 0.35 0.01 -0.13 -0.04 0.93 1.11 2zr2B1 ILE 387 HD13 0.42 0.01 -0.17 -0.04 0.88 1.10 2zr2B1 ARG 388 H 0.09 0.71 0.32 -0.55 8.46 9.03 2zr2B1 ARG 388 HA 0.14 0.12 0.95 -0.75 4.34 4.79 2zr2B1 ARG 388 HB2 -0.10 0.00 -0.05 -0.04 1.90 1.72 2zr2B1 ARG 388 HB3 -0.23 -0.01 -0.18 -0.04 1.80 1.34 2zr2B1 ARG 388 HG2 -0.75 -0.01 -0.54 -0.04 1.67 0.33 2zr2B1 ARG 388 HG3 -0.09 0.05 -0.50 -0.04 1.67 1.09 2zr2B1 ARG 388 HD2 -0.44 0.03 -0.30 -0.04 3.22 2.47 2zr2B1 ARG 388 HD3 -0.52 -0.02 -0.19 -0.04 3.22 2.44 2zr2B1 PHE 389 H -0.07 0.58 0.35 -0.55 8.34 8.64 2zr2B1 PHE 389 HA -0.03 0.31 0.65 -0.75 4.62 4.79 2zr2B1 PHE 389 HB2 -0.03 -0.08 -0.16 -0.04 3.15 2.84 2zr2B1 PHE 389 HB3 -0.01 0.02 -0.29 -0.04 3.06 2.73 2zr2B1 PHE 389 HD2 -0.01 -0.01 -0.21 -0.04 7.28 7.01 2zr2B1 PHE 389 HE2 -0.01 0.10 -0.19 -0.04 7.38 7.24 2zr2B1 PHE 389 HZ -0.02 -0.05 -0.02 -0.04 7.32 7.19 2zr2B1 ARG 390 H 0.05 0.44 0.24 -0.55 8.46 8.64 2zr2B1 ARG 390 HA -0.34 0.10 0.64 -0.75 4.34 3.98 2zr2B1 ARG 390 HB2 -0.11 0.11 -0.04 -0.04 1.90 1.82 2zr2B1 ARG 390 HB3 -0.15 0.07 -0.24 -0.04 1.80 1.44 2zr2B1 ARG 390 HG2 -0.04 0.07 -0.13 -0.04 1.67 1.52 2zr2B1 ARG 390 HG3 -0.03 -0.14 -0.28 -0.04 1.67 1.18 2zr2B1 ARG 390 HD2 -0.03 -0.10 -0.24 -0.04 3.22 2.81 2zr2B1 ARG 390 HD3 -0.04 0.37 -0.43 -0.04 3.22 3.07 2zr2B1 ASP 391 H -0.07 0.16 0.16 -0.55 8.40 8.10 2zr2B1 ASP 391 HA 0.05 0.05 0.81 -0.75 4.63 4.79 2zr2B1 ASP 391 HB2 0.01 -0.01 0.11 -0.04 2.71 2.79 2zr2B1 ASP 391 HB3 0.04 0.05 0.05 -0.04 2.70 2.79 2zr2B1 ARG 392 H -0.03 0.10 0.11 -0.55 8.46 8.09 2zr2B1 ARG 392 HA -0.01 0.23 0.87 -0.75 4.34 4.67 2zr2B1 ARG 392 HB2 -0.02 -0.08 0.12 -0.04 1.90 1.87 2zr2B1 ARG 392 HB3 -0.01 -0.02 0.09 -0.04 1.80 1.82 2zr2B1 ARG 392 HG2 -0.00 0.17 -0.21 -0.04 1.67 1.59 2zr2B1 ARG 392 HG3 -0.01 -0.03 -0.10 -0.04 1.67 1.49 2zr2B1 ARG 392 HD2 -0.00 0.05 -0.01 -0.04 3.22 3.22 2zr2B1 ARG 392 HD3 -0.01 -0.01 0.00 -0.04 3.22 3.17 2zr2B1 THR 393 H -0.01 0.18 0.10 -0.55 8.28 8.00 2zr2B1 THR 393 HA -0.02 0.15 0.31 -0.75 4.39 4.07 2zr2B1 THR 393 HB -0.01 0.06 0.07 -0.04 4.32 4.40 2zr2B1 THR 393 HG23 -0.01 0.01 0.02 -0.04 1.22 1.21 2zr2B1 ASP 394 H -0.02 -0.14 -0.52 -0.55 8.40 7.18 2zr2B1 ASP 394 HA -0.02 0.10 0.42 -0.75 4.63 4.37 2zr2B1 ASP 394 HB2 -0.02 -0.14 0.08 -0.04 2.71 2.59 2zr2B1 ASP 394 HB3 -0.02 0.03 -0.02 -0.04 2.70 2.66 2zr2B1 GLU 395 H -0.03 -0.09 -0.04 -0.55 8.60 7.89 2zr2B1 GLU 395 HA -0.04 -0.01 0.35 -0.75 4.29 3.84 2zr2B1 GLU 395 HB2 -0.08 0.12 0.06 -0.04 2.09 2.16 2zr2B1 GLU 395 HB3 -0.04 -0.06 0.13 -0.04 1.99 1.98 2zr2B1 GLU 395 HG2 -0.05 -0.07 0.16 -0.04 2.34 2.35 2zr2B1 GLU 395 HG3 -0.09 0.15 -0.02 -0.04 2.34 2.33 2zr2B1 LYS 396 H -0.06 0.00 0.16 -0.55 8.42 7.97 2zr2B1 LYS 396 HA -0.07 0.15 0.49 -0.75 4.32 4.14 2zr2B1 LYS 396 HB2 -0.04 -0.04 0.14 -0.04 1.87 1.88 2zr2B1 LYS 396 HB3 -0.06 -0.08 0.10 -0.04 1.79 1.71 2zr2B1 LYS 396 HG2 -0.08 0.27 -0.09 -0.04 1.46 1.52 2zr2B1 LYS 396 HG3 -0.05 0.01 0.10 -0.04 1.46 1.47 2zr2B1 LYS 396 HD2 -0.02 -0.05 0.03 -0.04 1.69 1.61 2zr2B1 LYS 396 HD3 -0.03 -0.06 0.00 -0.04 1.68 1.56 2zr2B1 LYS 396 HE2 -0.03 0.07 0.02 -0.04 2.99 3.02 2zr2B1 LYS 396 HE3 -0.02 0.01 0.03 -0.04 2.99 2.97 2zr2B1 PRO 397 HA -0.28 0.17 0.60 -0.51 4.44 4.42 2zr2B1 PRO 397 HB2 -0.18 -0.02 -0.05 -0.04 2.28 1.99 2zr2B1 PRO 397 HB3 -0.15 0.00 -0.06 -0.04 2.02 1.76 2zr2B1 PRO 397 HG2 -0.08 0.02 0.03 -0.04 2.03 1.95 2zr2B1 PRO 397 HG3 -0.09 0.11 0.02 -0.04 2.03 2.02 2zr2B1 PRO 397 HD2 -0.10 0.04 0.20 -0.04 3.68 3.79 2zr2B1 PRO 397 HD3 -0.08 0.14 0.27 -0.04 3.65 3.94 2zr2B1 ARG 398 H -0.53 0.44 0.38 -0.55 8.46 8.19 2zr2B1 ARG 398 HA -0.23 0.17 0.89 -0.75 4.34 4.42 2zr2B1 ARG 398 HB2 0.01 -0.02 0.15 -0.04 1.90 2.00 2zr2B1 ARG 398 HB3 -0.12 0.03 -0.01 -0.04 1.80 1.66 2zr2B1 ARG 398 HG2 -0.71 0.04 0.12 -0.04 1.67 1.08 2zr2B1 ARG 398 HG3 -0.14 0.03 -0.04 -0.04 1.67 1.47 2zr2B1 ARG 398 HD2 -0.01 -0.01 0.02 -0.04 3.22 3.17 2zr2B1 ARG 398 HD3 -0.14 0.04 0.00 -0.04 3.22 3.07 2zr2B1 TYR 399 H 0.08 0.07 0.16 -0.55 8.29 8.06 2zr2B1 TYR 399 HA 0.17 0.22 0.70 -0.75 4.56 4.89 2zr2B1 TYR 399 HB2 0.12 -0.12 0.16 -0.04 3.06 3.18 2zr2B1 TYR 399 HB3 0.13 0.15 0.08 -0.04 2.98 3.30 2zr2B1 TYR 399 HD2 0.06 0.08 -0.02 -0.04 7.15 7.23 2zr2B1 TYR 399 HE2 0.02 -0.04 -0.04 -0.04 6.85 6.75 2zr2B1 VAL 400 H 0.35 0.42 0.28 -0.55 8.24 8.73 2zr2B1 VAL 400 HA 0.06 0.06 0.65 -0.75 4.13 4.15 2zr2B1 VAL 400 HB 0.00 0.05 0.16 -0.04 2.12 2.29 2zr2B1 VAL 400 HG13 0.13 -0.01 -0.20 -0.04 0.97 0.85 2zr2B1 VAL 400 HG23 0.26 0.02 -0.22 -0.04 0.95 0.97 2zr2B1 HIS 401 H 0.01 0.57 0.28 -0.55 8.41 8.73 2zr2B1 HIS 401 HA -0.04 0.54 0.83 -0.75 4.63 5.20 2zr2B1 HIS 401 HB2 -0.14 -0.04 -0.07 -0.04 3.26 2.96 2zr2B1 HIS 401 HB3 -0.22 -0.06 0.06 -0.04 3.20 2.94 2zr2B1 HIS 401 HD2 0.04 0.28 -0.64 -0.04 6.97 6.61 2zr2B1 HIS 401 HE1 0.04 0.04 0.04 -0.04 7.75 7.83 2zr2B1 THR 402 H -0.13 0.39 0.25 -0.55 8.28 8.25 2zr2B1 THR 402 HA -0.34 0.47 1.21 -0.75 4.39 4.97 2zr2B1 THR 402 HB -0.48 0.05 0.04 -0.04 4.32 3.89 2zr2B1 THR 402 HG23 -0.09 0.02 -0.16 -0.04 1.22 0.95 2zr2B1 LEU 403 H -0.67 0.56 0.40 -0.55 8.37 8.12 2zr2B1 LEU 403 HA -0.31 0.08 0.89 -0.75 4.35 4.26 2zr2B1 LEU 403 HB2 -0.21 -0.03 0.01 -0.04 1.64 1.37 2zr2B1 LEU 403 HB3 -0.14 0.21 0.18 -0.04 1.64 1.85 2zr2B1 LEU 403 HG -0.30 -0.04 -0.19 -0.04 1.64 1.07 2zr2B1 LEU 403 HD13 -0.17 -0.00 -0.24 -0.04 0.93 0.48 2zr2B1 LEU 403 HD23 -0.13 0.01 -0.08 -0.04 0.89 0.65 2zr2B1 ASN 404 H -0.17 0.42 0.37 -0.55 8.53 8.61 2zr2B1 ASN 404 HA -0.11 0.41 0.97 -0.75 4.76 5.27 2zr2B1 ASN 404 HB2 0.13 0.00 0.12 -0.04 2.88 3.10 2zr2B1 ASN 404 HB3 -0.04 0.00 -0.15 -0.04 2.79 2.56 2zr2B1 ASN 404 HD21 -0.04 -0.01 -0.10 -0.04 7.03 6.84 2zr2B1 ASN 404 HD22 -0.07 0.00 -0.12 -0.04 7.74 7.51 2zr2B1 SER 405 H 0.05 0.51 0.34 -0.55 8.46 8.81 2zr2B1 SER 405 HA 0.03 0.24 0.79 -0.75 4.49 4.80 2zr2B1 SER 405 HB2 0.08 -0.01 0.08 -0.04 3.95 4.06 2zr2B1 SER 405 HB3 0.05 -0.04 -0.13 -0.04 3.93 3.77 2zr2B1 THR 406 H 0.02 0.36 0.28 -0.55 8.28 8.38 2zr2B1 THR 406 HA 0.03 0.03 0.48 -0.75 4.39 4.18 2zr2B1 THR 406 HB 0.02 -0.01 0.10 -0.04 4.32 4.38 2zr2B1 THR 406 HG23 0.06 0.04 -0.12 -0.04 1.22 1.16 2zr2B1 ALA 407 H 0.02 0.39 0.30 -0.55 8.40 8.56 2zr2B1 ALA 407 HA -0.05 0.14 0.66 -0.75 4.34 4.33 2zr2B1 ALA 407 HB3 -0.09 -0.02 0.01 -0.04 1.41 1.27 2zr2B1 ILE 408 H 0.01 0.33 0.29 -0.55 8.25 8.33 2zr2B1 ILE 408 HA 0.17 0.20 0.65 -0.75 4.18 4.45 2zr2B1 ILE 408 HB -0.02 -0.04 0.01 -0.04 1.89 1.80 2zr2B1 ILE 408 HG12 -0.22 0.12 0.01 -0.04 1.49 1.37 2zr2B1 ILE 408 HG13 -0.13 -0.06 -0.58 -0.04 1.21 0.40 2zr2B1 ILE 408 HG23 0.03 -0.03 -0.31 -0.04 0.93 0.59 2zr2B1 ILE 408 HD13 -0.08 0.02 -0.07 -0.04 0.88 0.71 2zr2B1 ALA 409 H 0.13 0.36 0.15 -0.55 8.40 8.49 2zr2B1 ALA 409 HA 0.14 0.17 0.98 -0.75 4.34 4.87 2zr2B1 ALA 409 HB3 0.03 0.02 0.18 -0.04 1.41 1.60 2zr2B1 THR 410 H 0.12 0.38 0.09 -0.55 8.28 8.32 2zr2B1 THR 410 HA 0.06 0.07 0.31 -0.75 4.39 4.08 2zr2B1 THR 410 HB 0.06 0.04 0.07 -0.04 4.32 4.45 2zr2B1 THR 410 HG23 0.10 0.04 -0.01 -0.04 1.22 1.31 2zr2B1 SER 411 H 0.04 0.14 -0.06 -0.55 8.46 8.04 2zr2B1 SER 411 HA -0.08 0.03 0.42 -0.75 4.49 4.11 2zr2B1 SER 411 HB2 -0.22 0.45 0.14 -0.04 3.95 4.29 2zr2B1 SER 411 HB3 -0.08 -0.02 0.16 -0.04 3.93 3.95 2zr2B1 ARG 412 H -0.15 0.18 -0.01 -0.55 8.46 7.93 2zr2B1 ARG 412 HA -0.04 -0.04 0.51 -0.75 4.34 4.03 2zr2B1 ARG 412 HB2 -0.11 0.09 0.21 -0.04 1.90 2.04 2zr2B1 ARG 412 HB3 -0.02 0.03 0.15 -0.04 1.80 1.93 2zr2B1 ARG 412 HG2 -0.41 -0.12 0.13 -0.04 1.67 1.23 2zr2B1 ARG 412 HG3 -0.47 -0.04 0.14 -0.04 1.67 1.25 2zr2B1 ARG 412 HD2 -0.40 -0.03 0.10 -0.04 3.22 2.85 2zr2B1 ARG 412 HD3 -0.38 0.17 0.16 -0.04 3.22 3.13 2zr2B1 ALA 413 H 0.06 0.39 -0.25 -0.55 8.40 8.05 2zr2B1 ALA 413 HA 0.28 0.08 0.50 -0.75 4.34 4.45 2zr2B1 ALA 413 HB3 0.11 0.02 0.04 -0.04 1.41 1.53 2zr2B1 ILE 414 H 0.03 0.62 -0.13 -0.55 8.25 8.23 2zr2B1 ILE 414 HA 0.07 0.07 0.47 -0.75 4.18 4.03 2zr2B1 ILE 414 HB 0.00 0.20 0.21 -0.04 1.89 2.26 2zr2B1 ILE 414 HG12 0.06 -0.03 -0.04 -0.04 1.49 1.44 2zr2B1 ILE 414 HG13 0.04 0.08 0.02 -0.04 1.21 1.31 2zr2B1 ILE 414 HG23 0.06 -0.04 -0.13 -0.04 0.93 0.79 2zr2B1 ILE 414 HD13 0.02 -0.04 -0.09 -0.04 0.88 0.73 2zr2B1 VAL 415 H -0.03 0.40 -0.10 -0.55 8.24 7.95 2zr2B1 VAL 415 HA -0.03 -0.04 0.44 -0.75 4.13 3.75 2zr2B1 VAL 415 HB -0.40 -0.16 0.07 -0.04 2.12 1.59 2zr2B1 VAL 415 HG13 -0.56 0.05 -0.06 -0.04 0.97 0.36 2zr2B1 VAL 415 HG23 0.01 0.08 0.06 -0.04 0.95 1.06 2zr2B1 ALA 416 H 0.05 0.58 -0.16 -0.55 8.40 8.33 2zr2B1 ALA 416 HA 0.02 -0.02 0.39 -0.75 4.34 3.97 2zr2B1 ALA 416 HB3 0.17 0.05 0.12 -0.04 1.41 1.70 2zr2B1 ILE 417 H 0.12 0.47 -0.25 -0.55 8.25 8.05 2zr2B1 ILE 417 HA 0.27 0.15 0.46 -0.75 4.18 4.30 2zr2B1 ILE 417 HB 0.13 -0.01 0.17 -0.04 1.89 2.14 2zr2B1 ILE 417 HG12 0.21 0.09 0.05 -0.04 1.49 1.80 2zr2B1 ILE 417 HG13 0.16 0.02 0.04 -0.04 1.21 1.39 2zr2B1 ILE 417 HG23 0.20 -0.01 -0.15 -0.04 0.93 0.93 2zr2B1 ILE 417 HD13 0.05 -0.04 -0.06 -0.04 0.88 0.79 2zr2B1 LEU 418 H 0.11 0.59 -0.09 -0.55 8.37 8.43 2zr2B1 LEU 418 HA 0.14 0.04 0.32 -0.75 4.35 4.10 2zr2B1 LEU 418 HB2 0.12 -0.03 0.21 -0.04 1.64 1.91 2zr2B1 LEU 418 HB3 0.11 -0.11 -0.03 -0.04 1.64 1.58 2zr2B1 LEU 418 HG 0.11 0.34 0.07 -0.04 1.64 2.12 2zr2B1 LEU 418 HD13 0.15 -0.07 -0.06 -0.04 0.93 0.91 2zr2B1 LEU 418 HD23 0.11 -0.01 -0.08 -0.04 0.89 0.87 2zr2B1 GLU 419 H 0.05 0.67 -0.01 -0.55 8.60 8.77 2zr2B1 GLU 419 HA 0.04 0.07 0.54 -0.75 4.29 4.19 2zr2B1 GLU 419 HB2 -0.06 0.18 0.17 -0.04 2.09 2.33 2zr2B1 GLU 419 HB3 -0.10 -0.24 0.09 -0.04 1.99 1.70 2zr2B1 GLU 419 HG2 0.01 0.17 0.05 -0.04 2.34 2.54 2zr2B1 GLU 419 HG3 0.05 0.05 0.13 -0.04 2.34 2.53 2zr2B1 ASN 420 H -0.00 0.62 -0.02 -0.55 8.53 8.58 2zr2B1 ASN 420 HA -0.01 0.01 0.74 -0.75 4.76 4.75 2zr2B1 ASN 420 HB2 -0.16 0.23 0.23 -0.04 2.88 3.13 2zr2B1 ASN 420 HB3 -0.23 0.02 0.23 -0.04 2.79 2.77 2zr2B1 ASN 420 HD21 0.05 0.41 0.25 -0.04 7.03 7.70 2zr2B1 ASN 420 HD22 0.04 0.17 0.22 -0.04 7.74 8.13 2zr2B1 HIS 421 H 0.10 0.26 -0.30 -0.55 8.41 7.93 2zr2B1 HIS 421 HA 0.13 0.20 1.06 -0.75 4.63 5.27 2zr2B1 HIS 421 HB2 0.12 0.23 0.18 -0.04 3.26 3.74 2zr2B1 HIS 421 HB3 0.12 -0.12 0.33 -0.04 3.20 3.48 2zr2B1 HIS 421 HD2 0.10 -0.14 0.10 -0.04 6.97 7.00 2zr2B1 HIS 421 HE1 0.12 -0.07 0.10 -0.04 7.75 7.85 2zr2B1 GLN 422 H 0.17 0.13 -0.14 -0.55 8.47 8.08 2zr2B1 GLN 422 HA 0.17 0.19 0.63 -0.75 4.36 4.58 2zr2B1 GLN 422 HB2 0.19 -0.06 0.07 -0.04 2.15 2.31 2zr2B1 GLN 422 HB3 0.15 0.17 0.14 -0.04 2.02 2.44 2zr2B1 GLN 422 HG2 0.18 0.17 0.05 -0.04 2.40 2.77 2zr2B1 GLN 422 HG3 0.53 -0.07 -0.30 -0.04 2.39 2.51 2zr2B1 GLN 422 HE21 0.02 0.17 0.04 -0.04 6.97 7.15 2zr2B1 GLN 422 HE22 0.04 0.47 0.22 -0.04 7.69 8.38 2zr2B1 GLU 423 H 0.11 0.27 0.19 -0.55 8.60 8.62 2zr2B1 GLU 423 HA 0.21 0.21 0.77 -0.75 4.29 4.73 2zr2B1 GLU 423 HB2 -0.01 -0.09 0.07 -0.04 2.09 2.02 2zr2B1 GLU 423 HB3 -0.04 -0.14 0.14 -0.04 1.99 1.90 2zr2B1 GLU 423 HG2 0.12 0.05 -0.05 -0.04 2.34 2.42 2zr2B1 GLU 423 HG3 0.12 0.19 -0.30 -0.04 2.34 2.32 2zr2B1 GLU 424 H -0.50 0.17 0.13 -0.55 8.60 7.85 2zr2B1 GLU 424 HA -2.06 0.11 0.34 -0.75 4.29 1.92 2zr2B1 GLU 424 HB2 -1.43 0.02 0.12 -0.04 2.09 0.75 2zr2B1 GLU 424 HB3 -0.55 -0.03 0.14 -0.04 1.99 1.51 2zr2B1 GLU 424 HG2 -0.40 0.02 -0.13 -0.04 2.34 1.78 2zr2B1 GLU 424 HG3 -0.71 0.02 0.01 -0.04 2.34 1.63 2zr2B1 ASP 425 H -0.24 0.05 -0.13 -0.55 8.40 7.52 2zr2B1 ASP 425 HA -0.16 0.13 0.41 -0.75 4.63 4.26 2zr2B1 ASP 425 HB2 -0.08 0.05 0.13 -0.04 2.71 2.77 2zr2B1 ASP 425 HB3 -0.11 -0.01 0.09 -0.04 2.70 2.62 2zr2B1 GLY 426 H -0.11 0.32 -0.56 -0.55 8.43 7.54 2zr2B1 GLY 426 HA2 0.02 0.03 0.30 -0.51 4.01 3.85 2zr2B1 GLY 426 HA3 -0.01 0.15 0.78 -0.51 4.01 4.42 2zr2B1 THR 427 H -0.02 -0.08 -0.13 -0.55 8.28 7.51 2zr2B1 THR 427 HA 0.02 0.26 0.66 -0.75 4.39 4.58 2zr2B1 THR 427 HB 0.01 0.04 0.05 -0.04 4.32 4.37 2zr2B1 THR 427 HG23 -0.02 -0.03 -0.02 -0.04 1.22 1.11 2zr2B1 VAL 428 H 0.06 0.55 0.33 -0.55 8.24 8.63 2zr2B1 VAL 428 HA 0.14 0.39 0.99 -0.75 4.13 4.90 2zr2B1 VAL 428 HB 0.11 -0.12 0.05 -0.04 2.12 2.11 2zr2B1 VAL 428 HG13 0.18 0.00 -0.30 -0.04 0.97 0.81 2zr2B1 VAL 428 HG23 0.11 0.01 -0.16 -0.04 0.95 0.87 2zr2B1 ARG 429 H 0.16 0.60 0.22 -0.55 8.46 8.89 2zr2B1 ARG 429 HA 0.13 0.04 0.90 -0.75 4.34 4.65 2zr2B1 ARG 429 HB2 0.12 0.08 0.16 -0.04 1.90 2.21 2zr2B1 ARG 429 HB3 0.13 0.06 -0.01 -0.04 1.80 1.93 2zr2B1 ARG 429 HG2 0.10 -0.06 -0.13 -0.04 1.67 1.54 2zr2B1 ARG 429 HG3 0.12 0.03 -0.06 -0.04 1.67 1.72 2zr2B1 ARG 429 HD2 0.12 0.01 -0.02 -0.04 3.22 3.29 2zr2B1 ARG 429 HD3 0.14 0.04 -0.01 -0.04 3.22 3.35 2zr2B1 ILE 430 H 0.22 0.39 0.13 -0.55 8.25 8.44 2zr2B1 ILE 430 HA 0.05 0.14 0.58 -0.75 4.18 4.19 2zr2B1 ILE 430 HB 0.31 0.01 -0.15 -0.04 1.89 2.02 2zr2B1 ILE 430 HG12 0.25 -0.02 -0.15 -0.04 1.49 1.52 2zr2B1 ILE 430 HG13 0.17 0.03 -0.12 -0.04 1.21 1.25 2zr2B1 ILE 430 HG23 0.15 0.01 -0.30 -0.04 0.93 0.75 2zr2B1 ILE 430 HD13 0.33 -0.04 -0.31 -0.04 0.88 0.81 2zr2B1 PRO 431 HA -0.26 0.03 0.40 -0.51 4.44 4.11 2zr2B1 PRO 431 HB2 -0.21 -0.14 0.05 -0.04 2.28 1.93 2zr2B1 PRO 431 HB3 -0.15 0.14 0.06 -0.04 2.02 2.04 2zr2B1 PRO 431 HG2 -0.02 0.11 0.15 -0.04 2.03 2.23 2zr2B1 PRO 431 HG3 -0.45 0.15 0.12 -0.04 2.03 1.81 2zr2B1 PRO 431 HD2 -0.07 -0.02 0.16 -0.04 3.68 3.71 2zr2B1 PRO 431 HD3 -0.14 0.23 0.29 -0.04 3.65 3.99 2zr2B1 LYS 432 H -0.55 0.18 0.19 -0.55 8.42 7.69 2zr2B1 LYS 432 HA -2.94 0.10 0.38 -0.75 4.32 1.11 2zr2B1 LYS 432 HB2 -0.58 0.02 0.14 -0.04 1.87 1.40 2zr2B1 LYS 432 HB3 -0.90 -0.01 0.00 -0.04 1.79 0.84 2zr2B1 LYS 432 HG2 -2.51 0.01 0.09 -0.04 1.46 -1.00 2zr2B1 LYS 432 HG3 -0.74 0.04 0.13 -0.04 1.46 0.84 2zr2B1 LYS 432 HD2 -0.29 0.02 0.04 -0.04 1.69 1.42 2zr2B1 LYS 432 HD3 -0.33 -0.02 0.02 -0.04 1.68 1.31 2zr2B1 LYS 432 HE2 -0.02 -0.01 0.02 -0.04 2.99 2.93 2zr2B1 LYS 432 HE3 0.07 -0.01 0.03 -0.04 2.99 3.04 2zr2B1 VAL 433 H -0.39 0.22 -0.19 -0.55 8.24 7.32 2zr2B1 VAL 433 HA -0.23 0.03 0.32 -0.75 4.13 3.50 2zr2B1 VAL 433 HB -0.21 0.05 0.07 -0.04 2.12 1.99 2zr2B1 VAL 433 HG13 -0.56 -0.00 -0.33 -0.04 0.97 0.04 2zr2B1 VAL 433 HG23 -0.09 -0.01 0.03 -0.04 0.95 0.84 2zr2B1 LEU 434 H -0.34 0.48 -0.64 -0.55 8.37 7.32 2zr2B1 LEU 434 HA 0.08 0.18 0.80 -0.75 4.35 4.65 2zr2B1 LEU 434 HB2 -0.09 0.25 -0.07 -0.04 1.64 1.69 2zr2B1 LEU 434 HB3 -0.03 -0.10 -0.02 -0.04 1.64 1.44 2zr2B1 LEU 434 HG -0.37 0.01 -0.16 -0.04 1.64 1.09 2zr2B1 LEU 434 HD13 -0.09 -0.01 -0.08 -0.04 0.93 0.72 2zr2B1 LEU 434 HD23 -0.46 0.01 -0.16 -0.04 0.89 0.23 2zr2B1 TRP 435 H -0.11 0.57 -0.07 -0.55 7.97 7.82 2zr2B1 TRP 435 HA -0.15 0.08 0.32 -0.75 4.62 4.12 2zr2B1 TRP 435 HB2 -0.08 0.07 0.14 -0.04 3.23 3.33 2zr2B1 TRP 435 HB3 -0.08 -0.01 -0.03 -0.04 3.23 3.08 2zr2B1 TRP 435 HD1 -0.11 -0.05 -0.17 -0.04 7.22 6.84 2zr2B1 TRP 435 HE1 -0.04 0.38 0.02 -0.04 10.20 10.52 2zr2B1 TRP 435 HE3 -0.03 -0.01 0.02 -0.04 7.59 7.53 2zr2B1 TRP 435 HZ2 -0.01 0.06 0.04 -0.04 7.44 7.49 2zr2B1 TRP 435 HZ3 -0.01 -0.03 0.02 -0.04 7.13 7.07 2zr2B1 TRP 435 HH2 -0.00 -0.03 0.03 -0.04 7.19 7.15 2zr2B1 LYS 436 H 0.02 0.23 -0.24 -0.55 8.42 7.88 2zr2B1 LYS 436 HA -0.06 0.05 0.35 -0.75 4.32 3.91 2zr2B1 LYS 436 HB2 -0.24 -0.01 0.08 -0.04 1.87 1.66 2zr2B1 LYS 436 HB3 -0.12 -0.02 0.05 -0.04 1.79 1.67 2zr2B1 LYS 436 HG2 -0.39 0.05 -0.12 -0.04 1.46 0.96 2zr2B1 LYS 436 HG3 -1.33 0.01 -0.29 -0.04 1.46 -0.19 2zr2B1 LYS 436 HD2 -0.25 0.03 -0.03 -0.04 1.69 1.40 2zr2B1 LYS 436 HD3 -0.25 -0.04 -0.03 -0.04 1.68 1.32 2zr2B1 LYS 436 HE2 -0.05 -0.04 -0.01 -0.04 2.99 2.85 2zr2B1 LYS 436 HE3 -0.09 -0.06 -0.01 -0.04 2.99 2.80 2zr2B1 TYR 437 H 0.07 0.42 -0.76 -0.55 8.29 7.46 2zr2B1 TYR 437 HA -0.01 0.21 1.02 -0.75 4.56 5.03 2zr2B1 TYR 437 HB2 -0.05 0.09 0.06 -0.04 3.06 3.12 2zr2B1 TYR 437 HB3 -0.00 -0.10 0.06 -0.04 2.98 2.90 2zr2B1 TYR 437 HD2 -0.03 -0.01 0.01 -0.04 7.15 7.08 2zr2B1 TYR 437 HE2 0.07 0.06 -0.06 -0.04 6.85 6.88 2zr2B1 THR 438 H -0.03 0.38 0.14 -0.55 8.28 8.22 2zr2B1 THR 438 HA -0.20 0.15 0.81 -0.75 4.39 4.39 2zr2B1 THR 438 HB -2.02 -0.13 0.01 -0.04 4.32 2.14 2zr2B1 THR 438 HG23 -0.16 0.01 -0.14 -0.04 1.22 0.89 2zr2B1 GLY 439 H -0.11 0.58 -0.02 -0.55 8.43 8.33 2zr2B1 GLY 439 HA2 -0.07 0.03 0.33 -0.51 4.01 3.79 2zr2B1 GLY 439 HA3 -0.04 0.05 0.60 -0.51 4.01 4.11 2zr2B1 PHE 440 H -0.09 0.46 -0.16 -0.55 8.34 7.99 2zr2B1 PHE 440 HA -0.13 0.00 0.43 -0.75 4.62 4.17 2zr2B1 PHE 440 HB2 -0.04 0.04 0.09 -0.04 3.15 3.19 2zr2B1 PHE 440 HB3 -0.03 -0.01 0.13 -0.04 3.06 3.11 2zr2B1 PHE 440 HD2 0.01 -0.01 -0.13 -0.04 7.28 7.12 2zr2B1 PHE 440 HE2 0.05 -0.03 -0.03 -0.04 7.38 7.32 2zr2B1 PHE 440 HZ 0.05 0.07 0.05 -0.04 7.32 7.45 2zr2B1 LYS 441 H -0.11 0.09 0.20 -0.55 8.42 8.05 2zr2B1 LYS 441 HA -0.41 0.21 0.71 -0.75 4.32 4.07 2zr2B1 LYS 441 HB2 -0.37 -0.04 0.12 -0.04 1.87 1.53 2zr2B1 LYS 441 HB3 -0.42 0.01 0.12 -0.04 1.79 1.45 2zr2B1 LYS 441 HG2 -3.25 0.03 0.01 -0.04 1.46 -1.79 2zr2B1 LYS 441 HG3 -0.98 0.07 0.01 -0.04 1.46 0.52 2zr2B1 LYS 441 HD2 -1.23 -0.01 0.03 -0.04 1.69 0.44 2zr2B1 LYS 441 HD3 -1.94 -0.01 0.02 -0.04 1.68 -0.29 2zr2B1 LYS 441 HE2 -0.39 -0.02 0.02 -0.04 2.99 2.56 2zr2B1 LYS 441 HE3 -0.37 -0.02 0.01 -0.04 2.99 2.57 2zr2B1 GLU 442 H 0.18 0.19 0.00 -0.55 8.60 8.43 2zr2B1 GLU 442 HA 0.19 0.05 0.46 -0.75 4.29 4.24 2zr2B1 GLU 442 HB2 0.10 0.14 0.26 -0.04 2.09 2.55 2zr2B1 GLU 442 HB3 0.08 0.01 -0.39 -0.04 1.99 1.65 2zr2B1 GLU 442 HG2 0.03 -0.01 -0.59 -0.04 2.34 1.73 2zr2B1 GLU 442 HG3 0.04 -0.02 -0.24 -0.04 2.34 2.08 2zr2B1 ILE 443 H 0.08 0.75 0.29 -0.55 8.25 8.82 2zr2B1 ILE 443 HA -0.11 0.13 1.02 -0.75 4.18 4.47 2zr2B1 ILE 443 HB 0.02 -0.03 0.14 -0.04 1.89 1.98 2zr2B1 ILE 443 HG12 -0.38 0.03 -0.17 -0.04 1.49 0.93 2zr2B1 ILE 443 HG13 0.11 -0.01 -0.23 -0.04 1.21 1.04 2zr2B1 ILE 443 HG23 -0.09 0.01 -0.08 -0.04 0.93 0.73 2zr2B1 ILE 443 HD13 0.02 -0.00 -0.15 -0.04 0.88 0.71 2zr2B1 VAL 444 H -0.05 0.15 0.16 -0.55 8.24 7.94 2zr2B1 VAL 444 HA -0.01 0.10 0.85 -0.75 4.13 4.32 2zr2B1 VAL 444 HB -0.02 0.00 0.07 -0.04 2.12 2.14 2zr2B1 VAL 444 HG13 -0.02 -0.01 -0.11 -0.04 0.97 0.80 2zr2B1 VAL 444 HG23 -0.03 0.08 -0.10 -0.04 0.95 0.85 2zr2B1 PRO 445 HA -0.01 0.26 0.42 -0.51 4.44 4.60 2zr2B1 PRO 445 HB2 -0.02 -0.05 -0.00 -0.04 2.28 2.17 2zr2B1 PRO 445 HB3 -0.02 0.07 0.16 -0.04 2.02 2.19 2zr2B1 PRO 445 HG2 -0.02 0.11 -0.02 -0.04 2.03 2.06 2zr2B1 PRO 445 HG3 -0.01 0.08 -0.16 -0.04 2.03 1.90 2zr2B1 PRO 445 HD2 -0.02 0.05 0.11 -0.04 3.68 3.79 2zr2B1 PRO 445 HD3 -0.01 0.03 0.13 -0.04 3.65 3.76 2zr2B1 VAL 446 H -0.01 0.43 0.31 -0.55 8.24 8.41 2zr2B1 VAL 446 HA -0.02 0.16 0.83 -0.75 4.13 4.35 2zr2B1 VAL 446 HB -0.02 -0.13 0.09 -0.04 2.12 2.03 2zr2B1 VAL 446 HG13 -0.03 0.03 -0.07 -0.04 0.97 0.86 2zr2B1 VAL 446 HG23 -0.01 0.03 -0.10 -0.04 0.95 0.83 2zr2B1 GLU 447 H -0.01 0.14 0.06 -0.55 8.60 8.24 2zr2B1 GLU 447 HA -0.01 0.13 0.24 -0.75 4.29 3.89 2zr2B1 GLU 447 HB2 -0.01 0.00 0.10 -0.04 2.09 2.14 2zr2B1 GLU 447 HB3 -0.01 0.02 0.08 -0.04 1.99 2.04 2zr2B1 GLU 447 HG2 -0.01 -0.00 0.08 -0.04 2.34 2.36 2zr2B1 GLU 447 HG3 -0.01 0.01 0.04 -0.04 2.34 2.33