============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 58 rings ring int. center anis. iso. PHE 7 1.000 14.419 16.107 32.874 -99.200 -91.000 TYR 9 0.840 15.352 7.639 38.331 -99.200 -91.000 TYR 25 0.840 36.428 12.658 40.604 -99.200 -91.000 TYR 32 0.840 28.221 3.225 31.332 -99.200 -91.000 TYR 33 0.840 25.966 5.719 39.405 -99.200 -91.000 PHE 36 1.000 16.431 11.614 34.633 -99.200 -91.000 TRP 43 1.040 24.335 16.466 31.174 -99.200 -91.000 TRP6 43 1.020 22.791 15.045 30.091 -99.200 -91.000 TYR 49 0.840 30.439 13.807 45.310 -99.200 -91.000 PHE 51 1.000 31.061 10.195 41.912 -99.200 -91.000 PHE 58 1.000 26.745 7.762 51.572 -99.200 -91.000 TYR 71 0.840 18.727 13.659 59.384 -99.200 -91.000 TYR 72 0.840 26.244 11.592 59.357 -99.200 -91.000 TYR 76 0.840 17.563 12.536 50.505 -99.200 -91.000 PHE 86 1.000 18.108 15.200 43.948 -99.200 -91.000 PHE 94 1.000 19.106 24.145 37.664 -99.200 -91.000 TYR 116 0.840 41.936 26.356 26.330 -99.200 -91.000 TYR 121 0.840 50.578 20.156 34.771 -99.200 -91.000 PHE 127 1.000 40.580 24.596 21.071 -99.200 -91.000 PHE 136 1.000 28.439 13.526 30.448 -99.200 -91.000 PHE 159 1.000 27.295 13.151 40.478 -99.200 -91.000 TYR 182 0.840 46.183 21.356 36.657 -99.200 -91.000 PHE 183 1.000 41.903 20.372 43.217 -99.200 -91.000 PHE 189 1.000 44.547 26.002 31.326 -99.200 -91.000 PHE 197 1.000 20.754 21.998 46.356 -99.200 -91.000 TYR 201 0.840 16.908 16.627 55.480 -99.200 -91.000 PHE 205 1.000 18.205 33.304 58.077 -99.200 -91.000 TYR 222 0.840 12.955 35.603 59.705 -99.200 -91.000 PHE 223 1.000 10.958 28.069 56.504 -99.200 -91.000 HIS 232 0.900 26.688 29.697 49.303 -99.200 -91.000 HIS 236 0.900 31.251 28.295 46.626 -99.200 -91.000 HIS 239 0.900 33.181 32.458 42.678 -99.200 -91.000 TYR 242 0.840 33.836 33.078 33.497 -99.200 -91.000 HIS 249 0.900 45.258 33.112 50.593 -99.200 -91.000 TYR 259 0.840 29.082 43.915 66.788 -99.200 -91.000 HIS 262 0.900 31.205 31.423 63.668 -99.200 -91.000 TYR 264 0.840 37.653 27.742 63.922 -99.200 -91.000 PHE 272 1.000 36.823 37.219 46.764 -99.200 -91.000 PHE 274 1.000 26.735 35.807 53.627 -99.200 -91.000 TYR 291 0.840 43.728 42.164 39.115 -99.200 -91.000 TYR 298 0.840 41.026 34.461 33.053 -99.200 -91.000 TYR 321 0.840 34.293 24.122 21.270 -99.200 -91.000 TYR 325 0.840 37.546 27.610 24.875 -99.200 -91.000 TYR 329 0.840 39.288 31.651 29.386 -99.200 -91.000 PHE 331 1.000 42.281 35.325 26.666 -99.200 -91.000 TYR 339 0.840 42.702 34.324 20.150 -99.200 -91.000 PHE 346 1.000 42.133 39.463 34.746 -99.200 -91.000 TYR 350 0.840 39.596 38.808 39.938 -99.200 -91.000 TYR 355 0.840 34.596 41.832 44.427 -99.200 -91.000 PHE 357 1.000 25.939 36.581 38.335 -99.200 -91.000 PHE 366 1.000 16.054 34.837 42.697 -99.200 -91.000 TYR 374 0.840 30.255 30.780 55.175 -99.200 -91.000 PHE 375 1.000 33.295 34.366 59.775 -99.200 -91.000 HIS 379 0.900 20.314 29.077 65.639 -99.200 -91.000 TYR 393 0.840 10.090 27.044 46.901 -99.200 -91.000 PHE 399 1.000 9.855 27.503 51.697 -99.200 -91.000 TYR 410 0.840 12.781 39.440 53.827 -99.200 -91.000 PHE 422 1.000 9.370 24.922 60.916 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1z7hA1 PRO 2 HA -0.01 -0.10 0.21 -0.51 4.44 4.03 1z7hA1 PRO 2 HB2 -0.01 -0.01 -0.05 -0.04 2.28 2.16 1z7hA1 PRO 2 HB3 -0.01 0.00 -0.01 -0.04 2.02 1.96 1z7hA1 PRO 2 HG2 -0.01 -0.03 0.01 -0.04 2.03 1.96 1z7hA1 PRO 2 HG3 -0.01 -0.01 0.02 -0.04 2.03 1.99 1z7hA1 PRO 2 HD2 -0.01 -0.02 0.03 -0.04 3.68 3.64 1z7hA1 PRO 2 HD3 -0.01 -0.02 0.01 -0.04 3.65 3.59 1z7hA1 ILE 3 H -0.01 0.08 0.06 -0.55 8.25 7.84 1z7hA1 ILE 3 HA -0.02 0.04 0.44 -0.75 4.18 3.89 1z7hA1 ILE 3 HB 0.01 -0.02 0.07 -0.04 1.89 1.92 1z7hA1 ILE 3 HG12 -0.01 0.04 -0.02 -0.04 1.49 1.46 1z7hA1 ILE 3 HG13 -0.00 -0.06 0.04 -0.04 1.21 1.15 1z7hA1 ILE 3 HG23 0.01 -0.00 -0.20 -0.04 0.93 0.69 1z7hA1 ILE 3 HD13 0.01 0.00 -0.05 -0.04 0.88 0.80 1z7hA1 THR 4 H -0.03 0.14 0.23 -0.55 8.28 8.07 1z7hA1 THR 4 HA -0.03 0.17 0.91 -0.75 4.39 4.68 1z7hA1 THR 4 HB -0.04 -0.05 0.10 -0.04 4.32 4.29 1z7hA1 THR 4 HG23 -0.05 -0.01 -0.20 -0.04 1.22 0.92 1z7hA1 ILE 5 H -0.04 0.16 0.10 -0.55 8.25 7.93 1z7hA1 ILE 5 HA -0.09 0.30 0.90 -0.75 4.18 4.54 1z7hA1 ILE 5 HB -0.04 -0.06 0.15 -0.04 1.89 1.90 1z7hA1 ILE 5 HG12 0.02 -0.04 -0.13 -0.04 1.49 1.30 1z7hA1 ILE 5 HG13 0.07 -0.01 -0.22 -0.04 1.21 1.01 1z7hA1 ILE 5 HG23 -0.07 0.06 -0.02 -0.04 0.93 0.86 1z7hA1 ILE 5 HD13 0.09 0.02 -0.22 -0.04 0.88 0.73 1z7hA1 ASN 6 H -0.16 0.68 0.27 -0.55 8.53 8.78 1z7hA1 ASN 6 HA -0.19 -0.02 0.42 -0.75 4.76 4.22 1z7hA1 ASN 6 HB2 -0.14 0.12 0.08 -0.04 2.88 2.90 1z7hA1 ASN 6 HB3 -0.22 -0.08 0.06 -0.04 2.79 2.52 1z7hA1 ASN 6 HD21 -0.09 -0.16 -0.09 -0.04 7.03 6.65 1z7hA1 ASN 6 HD22 -0.04 0.84 0.06 -0.04 7.74 8.56 1z7hA1 ASN 7 H -0.36 0.17 0.20 -0.55 8.53 7.99 1z7hA1 ASN 7 HA -0.58 0.18 0.86 -0.75 4.76 4.46 1z7hA1 ASN 7 HB2 -0.16 -0.04 0.08 -0.04 2.88 2.72 1z7hA1 ASN 7 HB3 -0.15 -0.04 -0.01 -0.04 2.79 2.55 1z7hA1 ASN 7 HD21 -0.09 0.02 -0.04 -0.04 7.03 6.88 1z7hA1 ASN 7 HD22 -0.11 -0.06 -0.02 -0.04 7.74 7.51 1z7hA1 PHE 8 H -0.22 0.30 0.14 -0.55 8.34 8.01 1z7hA1 PHE 8 HA 0.04 0.02 0.34 -0.75 4.62 4.27 1z7hA1 PHE 8 HB2 0.20 0.05 -0.09 -0.04 3.15 3.27 1z7hA1 PHE 8 HB3 0.12 0.11 0.15 -0.04 3.06 3.39 1z7hA1 PHE 8 HD2 0.00 -0.02 -0.23 -0.04 7.28 6.99 1z7hA1 PHE 8 HE2 -0.05 0.11 -0.22 -0.04 7.38 7.18 1z7hA1 PHE 8 HZ -0.05 -0.00 -0.48 -0.04 7.32 6.75 1z7hA1 ARG 9 H 0.23 0.21 0.15 -0.55 8.46 8.50 1z7hA1 ARG 9 HA 0.11 0.20 0.86 -0.75 4.34 4.75 1z7hA1 ARG 9 HB2 0.11 -0.03 0.05 -0.04 1.90 2.00 1z7hA1 ARG 9 HB3 0.10 -0.04 0.08 -0.04 1.80 1.89 1z7hA1 ARG 9 HG2 0.09 -0.02 -0.12 -0.04 1.67 1.57 1z7hA1 ARG 9 HG3 0.07 0.03 -0.03 -0.04 1.67 1.70 1z7hA1 ARG 9 HD2 0.07 0.15 -0.19 -0.04 3.22 3.20 1z7hA1 ARG 9 HD3 0.05 0.03 -0.08 -0.04 3.22 3.17 1z7hA1 TYR 10 H 0.13 0.14 0.15 -0.55 8.29 8.16 1z7hA1 TYR 10 HA -0.07 0.14 0.28 -0.75 4.56 4.16 1z7hA1 TYR 10 HB2 -0.07 -0.03 0.07 -0.04 3.06 3.00 1z7hA1 TYR 10 HB3 0.03 -0.05 0.10 -0.04 2.98 3.02 1z7hA1 TYR 10 HD2 -0.02 -0.02 -0.08 -0.04 7.15 6.99 1z7hA1 TYR 10 HE2 0.18 0.03 -0.01 -0.04 6.85 7.02 1z7hA1 SER 11 H 0.15 -0.05 -0.31 -0.55 8.46 7.70 1z7hA1 SER 11 HA 0.03 0.12 0.38 -0.75 4.49 4.27 1z7hA1 SER 11 HB2 0.06 0.03 0.04 -0.04 3.95 4.05 1z7hA1 SER 11 HB3 0.11 -0.06 0.03 -0.04 3.93 3.97 1z7hA1 ASP 12 H 0.12 0.34 -0.36 -0.55 8.40 7.95 1z7hA1 ASP 12 HA 0.06 0.02 0.41 -0.75 4.63 4.36 1z7hA1 ASP 12 HB2 0.18 0.08 0.06 -0.04 2.71 2.99 1z7hA1 ASP 12 HB3 0.10 0.08 0.06 -0.04 2.70 2.90 1z7hA1 PRO 13 HA -0.04 0.06 0.56 -0.51 4.44 4.51 1z7hA1 PRO 13 HB2 -0.01 0.11 0.04 -0.04 2.28 2.37 1z7hA1 PRO 13 HB3 -0.01 -0.00 0.11 -0.04 2.02 2.08 1z7hA1 PRO 13 HG2 0.01 0.04 0.04 -0.04 2.03 2.08 1z7hA1 PRO 13 HG3 0.01 0.01 0.07 -0.04 2.03 2.07 1z7hA1 PRO 13 HD2 0.04 0.01 0.22 -0.04 3.68 3.91 1z7hA1 PRO 13 HD3 0.02 0.15 0.20 -0.04 3.65 3.97 1z7hA1 VAL 14 H -0.07 0.06 0.11 -0.55 8.24 7.79 1z7hA1 VAL 14 HA -0.10 0.06 0.26 -0.75 4.13 3.61 1z7hA1 VAL 14 HB -0.07 -0.05 0.10 -0.04 2.12 2.05 1z7hA1 VAL 14 HG13 -0.13 0.01 -0.11 -0.04 0.97 0.70 1z7hA1 VAL 14 HG23 -0.06 0.00 -0.02 -0.04 0.95 0.83 1z7hA1 ASN 15 H -0.01 0.44 0.38 -0.55 8.53 8.79 1z7hA1 ASN 15 HA 0.00 0.21 0.80 -0.75 4.76 5.02 1z7hA1 ASN 15 HB2 0.03 0.01 0.21 -0.04 2.88 3.09 1z7hA1 ASN 15 HB3 0.02 0.17 -0.09 -0.04 2.79 2.85 1z7hA1 ASN 15 HD21 0.08 -0.07 0.04 -0.04 7.03 7.04 1z7hA1 ASN 15 HD22 0.06 0.13 0.01 -0.04 7.74 7.90 1z7hA1 ASN 16 H 0.00 0.16 0.20 -0.55 8.53 8.34 1z7hA1 ASN 16 HA 0.03 0.03 0.35 -0.75 4.76 4.42 1z7hA1 ASN 16 HB2 0.02 0.23 -0.01 -0.04 2.88 3.08 1z7hA1 ASN 16 HB3 0.02 0.01 0.23 -0.04 2.79 3.01 1z7hA1 ASN 16 HD21 -0.01 0.15 0.23 -0.04 7.03 7.36 1z7hA1 ASN 16 HD22 0.00 0.06 -0.02 -0.04 7.74 7.74 1z7hA1 ASP 17 H 0.08 -0.16 -0.50 -0.55 8.40 7.27 1z7hA1 ASP 17 HA 0.14 0.24 0.85 -0.75 4.63 5.11 1z7hA1 ASP 17 HB2 0.05 0.12 -0.13 -0.04 2.71 2.72 1z7hA1 ASP 17 HB3 0.06 -0.13 0.09 -0.04 2.70 2.67 1z7hA1 THR 18 H 0.08 0.11 0.12 -0.55 8.28 8.04 1z7hA1 THR 18 HA -0.05 0.24 0.82 -0.75 4.39 4.64 1z7hA1 THR 18 HB 0.22 0.07 0.10 -0.04 4.32 4.67 1z7hA1 THR 18 HG23 0.04 0.01 -0.02 -0.04 1.22 1.21 1z7hA1 ILE 19 H 0.06 -0.08 0.04 -0.55 8.25 7.73 1z7hA1 ILE 19 HA -0.26 0.46 1.01 -0.75 4.18 4.64 1z7hA1 ILE 19 HB -0.08 -0.08 0.07 -0.04 1.89 1.76 1z7hA1 ILE 19 HG12 -0.18 0.11 -0.18 -0.04 1.49 1.19 1z7hA1 ILE 19 HG13 0.06 -0.20 -0.38 -0.04 1.21 0.65 1z7hA1 ILE 19 HG23 -0.55 0.05 -0.22 -0.04 0.93 0.16 1z7hA1 ILE 19 HD13 0.16 0.05 -0.14 -0.04 0.88 0.91 1z7hA1 ILE 20 H -0.20 0.67 0.31 -0.55 8.25 8.48 1z7hA1 ILE 20 HA -0.09 0.03 0.80 -0.75 4.18 4.17 1z7hA1 ILE 20 HB -0.09 0.06 0.02 -0.04 1.89 1.84 1z7hA1 ILE 20 HG12 -0.25 0.04 -0.21 -0.04 1.49 1.04 1z7hA1 ILE 20 HG13 -0.29 -0.03 -0.63 -0.04 1.21 0.22 1z7hA1 ILE 20 HG23 0.10 -0.03 -0.47 -0.04 0.93 0.48 1z7hA1 ILE 20 HD13 -0.66 0.02 -0.29 -0.04 0.88 -0.09 1z7hA1 MET 21 H -0.11 0.24 0.18 -0.55 8.47 8.24 1z7hA1 MET 21 HA -0.07 0.23 0.77 -0.75 4.52 4.69 1z7hA1 MET 21 HB2 -0.17 -0.06 0.17 -0.04 2.15 2.04 1z7hA1 MET 21 HB3 -0.08 0.03 -0.12 -0.04 2.03 1.82 1z7hA1 MET 21 HG2 -0.12 -0.07 -0.10 -0.04 2.63 2.31 1z7hA1 MET 21 HG3 -0.13 0.02 -0.07 -0.04 2.56 2.35 1z7hA1 MET 21 HE3 -0.01 -0.00 -0.30 -0.04 2.10 1.75 1z7hA1 MET 22 H -0.03 0.94 0.25 -0.55 8.47 9.09 1z7hA1 MET 22 HA 0.01 0.20 0.97 -0.75 4.52 4.95 1z7hA1 MET 22 HB2 -0.57 -0.03 -0.18 -0.04 2.15 1.32 1z7hA1 MET 22 HB3 -0.25 0.05 -0.03 -0.04 2.03 1.75 1z7hA1 MET 22 HG2 -0.25 -0.03 -0.83 -0.04 2.63 1.48 1z7hA1 MET 22 HG3 -1.07 0.05 -0.24 -0.04 2.56 1.26 1z7hA1 MET 22 HE3 -1.37 0.00 -0.22 -0.04 2.10 0.47 1z7hA1 GLU 23 H 0.08 0.83 0.20 -0.55 8.60 9.17 1z7hA1 GLU 23 HA -0.25 0.44 0.92 -0.75 4.29 4.65 1z7hA1 GLU 23 HB2 -0.88 -0.07 -0.13 -0.04 2.09 0.97 1z7hA1 GLU 23 HB3 -0.10 -0.10 0.10 -0.04 1.99 1.85 1z7hA1 GLU 23 HG2 -0.12 0.10 -0.40 -0.04 2.34 1.87 1z7hA1 GLU 23 HG3 -0.36 0.04 -0.03 -0.04 2.34 1.94 1z7hA1 PRO 24 HA -0.01 0.14 0.32 -0.51 4.44 4.38 1z7hA1 PRO 24 HB2 0.14 -0.07 -0.05 -0.04 2.28 2.26 1z7hA1 PRO 24 HB3 0.47 0.07 -0.00 -0.04 2.02 2.52 1z7hA1 PRO 24 HG2 0.36 -0.07 -0.03 -0.04 2.03 2.26 1z7hA1 PRO 24 HG3 0.67 0.06 -0.04 -0.04 2.03 2.69 1z7hA1 PRO 24 HD2 0.06 0.35 0.29 -0.04 3.68 4.35 1z7hA1 PRO 24 HD3 0.30 0.20 0.04 -0.04 3.65 4.15 1z7hA1 PRO 25 HA -0.07 0.07 0.54 -0.51 4.44 4.47 1z7hA1 PRO 25 HB2 -0.49 -0.07 0.08 -0.04 2.28 1.75 1z7hA1 PRO 25 HB3 -0.23 0.32 0.17 -0.04 2.02 2.23 1z7hA1 PRO 25 HG2 -0.06 0.06 -0.02 -0.04 2.03 1.98 1z7hA1 PRO 25 HG3 0.03 0.13 0.03 -0.04 2.03 2.18 1z7hA1 PRO 25 HD2 -0.04 0.08 0.12 -0.04 3.68 3.80 1z7hA1 PRO 25 HD3 -0.03 0.13 0.13 -0.04 3.65 3.85 1z7hA1 TYR 26 H -0.40 0.12 -0.24 -0.55 8.29 7.22 1z7hA1 TYR 26 HA -0.10 0.15 0.57 -0.75 4.56 4.42 1z7hA1 TYR 26 HB2 -0.74 -0.02 0.00 -0.04 3.06 2.26 1z7hA1 TYR 26 HB3 -0.10 0.01 0.11 -0.04 2.98 2.96 1z7hA1 TYR 26 HD2 -0.44 0.02 -0.02 -0.04 7.15 6.67 1z7hA1 TYR 26 HE2 -0.06 0.10 -0.03 -0.04 6.85 6.82 1z7hA1 CYS 27 H 0.02 0.74 -0.51 -0.55 8.50 8.20 1z7hA1 CYS 27 HA 0.07 0.19 0.79 -0.75 4.58 4.87 1z7hA1 CYS 27 HB2 0.02 0.15 -0.02 -0.04 2.97 3.09 1z7hA1 CYS 27 HB3 -0.04 -0.16 0.12 -0.04 2.97 2.85 1z7hA1 LYS 28 H 0.00 0.39 -0.18 -0.55 8.42 8.08 1z7hA1 LYS 28 HA -0.04 -0.06 0.35 -0.75 4.32 3.82 1z7hA1 LYS 28 HB2 -0.02 0.16 0.22 -0.04 1.87 2.19 1z7hA1 LYS 28 HB3 -0.00 0.00 0.12 -0.04 1.79 1.87 1z7hA1 LYS 28 HG2 -0.01 0.01 -0.21 -0.04 1.46 1.21 1z7hA1 LYS 28 HG3 -0.02 -0.05 0.01 -0.04 1.46 1.37 1z7hA1 LYS 28 HD2 -0.02 -0.02 0.00 -0.04 1.69 1.61 1z7hA1 LYS 28 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.63 1z7hA1 LYS 28 HE2 -0.01 0.02 -0.09 -0.04 2.99 2.87 1z7hA1 LYS 28 HE3 -0.01 0.00 -0.12 -0.04 2.99 2.82 1z7hA1 GLY 29 H -0.04 0.08 0.18 -0.55 8.43 8.11 1z7hA1 GLY 29 HA2 -0.02 -0.02 0.36 -0.51 4.01 3.82 1z7hA1 GLY 29 HA3 -0.01 0.12 0.42 -0.51 4.01 4.02 1z7hA1 LEU 30 H -0.05 0.68 -0.51 -0.55 8.37 7.94 1z7hA1 LEU 30 HA -0.02 0.13 0.61 -0.75 4.35 4.32 1z7hA1 LEU 30 HB2 -0.04 0.03 0.00 -0.04 1.64 1.59 1z7hA1 LEU 30 HB3 -0.02 -0.04 0.05 -0.04 1.64 1.58 1z7hA1 LEU 30 HG 0.00 0.15 -0.27 -0.04 1.64 1.48 1z7hA1 LEU 30 HD13 0.03 -0.02 0.02 -0.04 0.93 0.92 1z7hA1 LEU 30 HD23 -0.00 -0.01 -0.12 -0.04 0.89 0.71 1z7hA1 ASP 31 H -0.13 -0.00 -0.22 -0.55 8.40 7.50 1z7hA1 ASP 31 HA -0.32 -0.05 0.20 -0.75 4.63 3.70 1z7hA1 ASP 31 HB2 0.00 0.19 -0.18 -0.04 2.71 2.68 1z7hA1 ASP 31 HB3 0.12 -0.03 0.12 -0.04 2.70 2.87 1z7hA1 ILE 32 H -0.42 0.18 -0.12 -0.55 8.25 7.34 1z7hA1 ILE 32 HA -0.16 0.15 0.76 -0.75 4.18 4.17 1z7hA1 ILE 32 HB -0.13 -0.06 0.03 -0.04 1.89 1.69 1z7hA1 ILE 32 HG12 -0.08 0.05 -0.06 -0.04 1.49 1.35 1z7hA1 ILE 32 HG13 -0.08 0.14 -0.54 -0.04 1.21 0.68 1z7hA1 ILE 32 HG23 -0.30 0.00 -0.14 -0.04 0.93 0.45 1z7hA1 ILE 32 HD13 -0.02 -0.01 -0.06 -0.04 0.88 0.75 1z7hA1 TYR 33 H -0.04 0.19 0.04 -0.55 8.29 7.93 1z7hA1 TYR 33 HA -0.17 0.47 1.00 -0.75 4.56 5.11 1z7hA1 TYR 33 HB2 -0.13 -0.03 -0.15 -0.04 3.06 2.71 1z7hA1 TYR 33 HB3 -0.10 -0.05 -0.38 -0.04 2.98 2.41 1z7hA1 TYR 33 HD2 -0.08 0.05 -0.42 -0.04 7.15 6.67 1z7hA1 TYR 33 HE2 -0.04 0.03 -0.29 -0.04 6.85 6.52 1z7hA1 TYR 34 H 0.10 0.67 0.32 -0.55 8.29 8.83 1z7hA1 TYR 34 HA 0.07 0.13 0.83 -0.75 4.56 4.83 1z7hA1 TYR 34 HB2 0.07 0.01 -0.01 -0.04 3.06 3.09 1z7hA1 TYR 34 HB3 0.09 0.05 0.00 -0.04 2.98 3.08 1z7hA1 TYR 34 HD2 0.09 0.01 -0.04 -0.04 7.15 7.17 1z7hA1 TYR 34 HE2 0.00 -0.02 -0.09 -0.04 6.85 6.71 1z7hA1 LYS 35 H 0.19 0.13 0.15 -0.55 8.42 8.33 1z7hA1 LYS 35 HA -0.11 0.17 0.69 -0.75 4.32 4.31 1z7hA1 LYS 35 HB2 -0.04 -0.05 0.13 -0.04 1.87 1.87 1z7hA1 LYS 35 HB3 0.09 -0.02 0.12 -0.04 1.79 1.95 1z7hA1 LYS 35 HG2 -0.69 0.03 -0.10 -0.04 1.46 0.65 1z7hA1 LYS 35 HG3 -0.33 -0.03 0.01 -0.04 1.46 1.07 1z7hA1 LYS 35 HD2 -0.27 -0.10 0.01 -0.04 1.69 1.28 1z7hA1 LYS 35 HD3 -0.66 0.03 0.03 -0.04 1.68 1.04 1z7hA1 LYS 35 HE2 -0.30 0.02 -0.05 -0.04 2.99 2.61 1z7hA1 LYS 35 HE3 -0.24 -0.20 -0.06 -0.04 2.99 2.45 1z7hA1 ALA 36 H -0.28 0.69 0.47 -0.55 8.40 8.74 1z7hA1 ALA 36 HA 0.11 0.28 1.06 -0.75 4.34 5.04 1z7hA1 ALA 36 HB3 -0.13 -0.03 -0.14 -0.04 1.41 1.07 1z7hA1 PHE 37 H 0.37 0.72 0.37 -0.55 8.34 9.24 1z7hA1 PHE 37 HA -0.11 0.36 1.14 -0.75 4.62 5.26 1z7hA1 PHE 37 HB2 -0.38 -0.04 0.08 -0.04 3.15 2.77 1z7hA1 PHE 37 HB3 -1.73 0.04 -0.09 -0.04 3.06 1.23 1z7hA1 PHE 37 HD2 -0.52 0.08 -0.11 -0.04 7.28 6.69 1z7hA1 PHE 37 HE2 -0.02 0.09 -0.18 -0.04 7.38 7.22 1z7hA1 PHE 37 HZ -0.52 0.15 0.01 -0.04 7.32 6.93 1z7hA1 LYS 38 H -0.27 0.70 0.27 -0.55 8.42 8.57 1z7hA1 LYS 38 HA -0.94 0.13 0.83 -0.75 4.32 3.58 1z7hA1 LYS 38 HB2 -2.38 0.01 0.08 -0.04 1.87 -0.47 1z7hA1 LYS 38 HB3 -0.54 -0.08 0.23 -0.04 1.79 1.36 1z7hA1 LYS 38 HG2 -0.52 -0.08 -0.31 -0.04 1.46 0.51 1z7hA1 LYS 38 HG3 -1.28 0.16 -0.02 -0.04 1.46 0.28 1z7hA1 LYS 38 HD2 -0.36 -0.15 -0.05 -0.04 1.69 1.09 1z7hA1 LYS 38 HD3 -0.65 0.05 -0.04 -0.04 1.68 0.99 1z7hA1 LYS 38 HE2 -0.21 0.03 -0.10 -0.04 2.99 2.68 1z7hA1 LYS 38 HE3 -0.20 -0.06 -0.17 -0.04 2.99 2.53 1z7hA1 ILE 39 H -0.23 0.28 0.28 -0.55 8.25 8.03 1z7hA1 ILE 39 HA 0.05 0.02 0.35 -0.75 4.18 3.84 1z7hA1 ILE 39 HB -0.27 -0.02 0.02 -0.04 1.89 1.58 1z7hA1 ILE 39 HG12 -1.23 -0.01 -0.09 -0.04 1.49 0.12 1z7hA1 ILE 39 HG13 -0.47 -0.02 -0.05 -0.04 1.21 0.64 1z7hA1 ILE 39 HG23 -0.66 0.06 -0.12 -0.04 0.93 0.16 1z7hA1 ILE 39 HD13 -0.11 0.00 -0.03 -0.04 0.88 0.70 1z7hA1 THR 40 H -0.31 0.48 0.06 -0.55 8.28 7.95 1z7hA1 THR 40 HA -0.15 0.13 0.54 -0.75 4.39 4.15 1z7hA1 THR 40 HB -0.13 0.03 -0.23 -0.04 4.32 3.95 1z7hA1 THR 40 HG23 -0.08 0.06 -0.21 -0.04 1.22 0.94 1z7hA1 ASP 41 H -0.09 0.13 0.15 -0.55 8.40 8.04 1z7hA1 ASP 41 HA -0.12 -0.00 0.41 -0.75 4.63 4.17 1z7hA1 ASP 41 HB2 -0.05 0.01 0.13 -0.04 2.71 2.76 1z7hA1 ASP 41 HB3 -0.04 0.08 0.00 -0.04 2.70 2.70 1z7hA1 ARG 42 H -0.02 0.11 0.21 -0.55 8.46 8.21 1z7hA1 ARG 42 HA 0.13 -0.01 0.43 -0.75 4.34 4.13 1z7hA1 ARG 42 HB2 0.00 0.27 -0.09 -0.04 1.90 2.04 1z7hA1 ARG 42 HB3 0.05 -0.06 0.21 -0.04 1.80 1.96 1z7hA1 ARG 42 HG2 0.01 -0.14 -0.11 -0.04 1.67 1.39 1z7hA1 ARG 42 HG3 -0.00 0.28 -0.03 -0.04 1.67 1.87 1z7hA1 ARG 42 HD2 0.07 0.00 -0.12 -0.04 3.22 3.13 1z7hA1 ARG 42 HD3 0.11 -0.02 0.07 -0.04 3.22 3.33 1z7hA1 ILE 43 H -0.19 0.54 -0.37 -0.55 8.25 7.68 1z7hA1 ILE 43 HA 0.08 0.25 1.13 -0.75 4.18 4.88 1z7hA1 ILE 43 HB -0.16 -0.08 -0.00 -0.04 1.89 1.60 1z7hA1 ILE 43 HG12 0.06 0.04 -0.14 -0.04 1.49 1.41 1z7hA1 ILE 43 HG13 0.00 0.11 -0.46 -0.04 1.21 0.82 1z7hA1 ILE 43 HG23 -0.01 -0.02 -0.18 -0.04 0.93 0.67 1z7hA1 ILE 43 HD13 0.13 -0.02 -0.13 -0.04 0.88 0.83 1z7hA1 TRP 44 H 0.24 0.73 0.38 -0.55 7.97 8.77 1z7hA1 TRP 44 HA -0.03 0.18 1.10 -0.75 4.62 5.12 1z7hA1 TRP 44 HB2 -0.12 0.01 0.04 -0.04 3.23 3.11 1z7hA1 TRP 44 HB3 -0.14 -0.02 -0.12 -0.04 3.23 2.91 1z7hA1 TRP 44 HD1 0.14 0.03 -0.25 -0.04 7.22 7.10 1z7hA1 TRP 44 HE1 0.24 0.04 -0.15 -0.04 10.20 10.28 1z7hA1 TRP 44 HE3 -0.10 -0.04 -0.57 -0.04 7.59 6.83 1z7hA1 TRP 44 HZ2 0.13 0.02 -0.12 -0.04 7.44 7.43 1z7hA1 TRP 44 HZ3 -0.12 0.06 -0.47 -0.04 7.13 6.55 1z7hA1 TRP 44 HH2 0.02 0.11 -0.30 -0.04 7.19 6.98 1z7hA1 ILE 45 H 0.22 0.67 0.37 -0.55 8.25 8.96 1z7hA1 ILE 45 HA 0.09 0.23 1.06 -0.75 4.18 4.81 1z7hA1 ILE 45 HB 0.13 -0.01 0.17 -0.04 1.89 2.14 1z7hA1 ILE 45 HG12 0.06 0.06 -0.07 -0.04 1.49 1.50 1z7hA1 ILE 45 HG13 -0.05 -0.09 -0.32 -0.04 1.21 0.70 1z7hA1 ILE 45 HG23 0.24 0.00 -0.16 -0.04 0.93 0.97 1z7hA1 ILE 45 HD13 -0.09 -0.00 -0.10 -0.04 0.88 0.65 1z7hA1 VAL 46 H -0.02 0.87 0.28 -0.55 8.24 8.81 1z7hA1 VAL 46 HA 0.15 0.25 0.97 -0.75 4.13 4.74 1z7hA1 VAL 46 HB -0.60 0.01 0.13 -0.04 2.12 1.61 1z7hA1 VAL 46 HG13 0.08 0.00 -0.16 -0.04 0.97 0.85 1z7hA1 VAL 46 HG23 -0.25 -0.02 -0.23 -0.04 0.95 0.42 1z7hA1 PRO 47 HA -0.20 0.09 0.47 -0.51 4.44 4.30 1z7hA1 PRO 47 HB2 -0.01 -0.03 0.21 -0.04 2.28 2.41 1z7hA1 PRO 47 HB3 0.02 -0.01 0.16 -0.04 2.02 2.15 1z7hA1 PRO 47 HG2 0.25 -0.02 -0.00 -0.04 2.03 2.22 1z7hA1 PRO 47 HG3 0.29 0.02 -0.07 -0.04 2.03 2.23 1z7hA1 PRO 47 HD2 0.46 0.20 0.15 -0.04 3.68 4.46 1z7hA1 PRO 47 HD3 0.39 0.25 -0.01 -0.04 3.65 4.24 1z7hA1 GLU 48 H -0.02 0.62 0.24 -0.55 8.60 8.90 1z7hA1 GLU 48 HA -0.15 0.21 0.86 -0.75 4.29 4.46 1z7hA1 GLU 48 HB2 -0.13 -0.01 -0.08 -0.04 2.09 1.82 1z7hA1 GLU 48 HB3 -0.30 0.03 0.06 -0.04 1.99 1.74 1z7hA1 GLU 48 HG2 0.01 -0.10 -0.56 -0.04 2.34 1.65 1z7hA1 GLU 48 HG3 -0.39 -0.04 -0.12 -0.04 2.34 1.75 1z7hA1 ARG 49 H -0.12 0.16 0.15 -0.55 8.46 8.09 1z7hA1 ARG 49 HA 0.08 0.16 0.37 -0.75 4.34 4.20 1z7hA1 ARG 49 HB2 -0.09 -0.11 0.03 -0.04 1.90 1.69 1z7hA1 ARG 49 HB3 0.32 0.09 -0.10 -0.04 1.80 2.06 1z7hA1 ARG 49 HG2 -0.06 0.04 0.08 -0.04 1.67 1.69 1z7hA1 ARG 49 HG3 0.04 0.03 -0.03 -0.04 1.67 1.67 1z7hA1 ARG 49 HD2 0.13 -0.05 -0.09 -0.04 3.22 3.16 1z7hA1 ARG 49 HD3 0.16 -0.05 -0.19 -0.04 3.22 3.11 1z7hA1 TYR 50 H 0.24 0.64 -0.18 -0.55 8.29 8.44 1z7hA1 TYR 50 HA -0.27 -0.01 0.50 -0.75 4.56 4.03 1z7hA1 TYR 50 HB2 0.10 0.24 -0.00 -0.04 3.06 3.36 1z7hA1 TYR 50 HB3 0.04 -0.07 -0.01 -0.04 2.98 2.90 1z7hA1 TYR 50 HD2 0.09 0.06 -0.20 -0.04 7.15 7.06 1z7hA1 TYR 50 HE2 0.14 0.07 -0.14 -0.04 6.85 6.88 1z7hA1 GLU 51 H -0.61 0.26 0.08 -0.55 8.60 7.78 1z7hA1 GLU 51 HA 0.21 0.20 0.63 -0.75 4.29 4.58 1z7hA1 GLU 51 HB2 -0.31 -0.01 -0.05 -0.04 2.09 1.68 1z7hA1 GLU 51 HB3 -0.08 -0.04 -0.01 -0.04 1.99 1.82 1z7hA1 GLU 51 HG2 -0.14 0.02 -0.32 -0.04 2.34 1.87 1z7hA1 GLU 51 HG3 -0.20 0.23 -0.27 -0.04 2.34 2.06 1z7hA1 PHE 52 H -0.67 0.06 -0.26 -0.55 8.34 6.92 1z7hA1 PHE 52 HA -0.13 0.02 0.41 -0.75 4.62 4.17 1z7hA1 PHE 52 HB2 -0.47 0.04 -0.00 -0.04 3.15 2.68 1z7hA1 PHE 52 HB3 -0.21 0.02 -0.04 -0.04 3.06 2.79 1z7hA1 PHE 52 HD2 -1.18 0.05 -0.06 -0.04 7.28 6.05 1z7hA1 PHE 52 HE2 -1.22 0.05 -0.11 -0.04 7.38 6.06 1z7hA1 PHE 52 HZ -0.17 0.02 -0.08 -0.04 7.32 7.05 1z7hA1 GLY 53 H 0.05 0.12 0.19 -0.55 8.43 8.25 1z7hA1 GLY 53 HA2 0.01 -0.01 0.32 -0.51 4.01 3.82 1z7hA1 GLY 53 HA3 0.03 0.04 0.38 -0.51 4.01 3.95 1z7hA1 THR 54 H 0.05 0.34 -0.12 -0.55 8.28 8.00 1z7hA1 THR 54 HA 0.06 0.16 0.82 -0.75 4.39 4.68 1z7hA1 THR 54 HB 0.12 -0.10 0.04 -0.04 4.32 4.34 1z7hA1 THR 54 HG23 0.09 0.08 -0.39 -0.04 1.22 0.96 1z7hA1 LYS 55 H 0.09 0.16 0.16 -0.55 8.42 8.28 1z7hA1 LYS 55 HA 0.04 0.29 0.93 -0.75 4.32 4.83 1z7hA1 LYS 55 HB2 0.05 -0.06 0.09 -0.04 1.87 1.90 1z7hA1 LYS 55 HB3 0.03 -0.02 0.08 -0.04 1.79 1.84 1z7hA1 LYS 55 HG2 0.02 0.10 -0.09 -0.04 1.46 1.46 1z7hA1 LYS 55 HG3 0.03 -0.01 -0.26 -0.04 1.46 1.18 1z7hA1 LYS 55 HD2 0.02 -0.01 -0.03 -0.04 1.69 1.63 1z7hA1 LYS 55 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.63 1z7hA1 LYS 55 HE2 0.01 0.02 -0.05 -0.04 2.99 2.94 1z7hA1 LYS 55 HE3 0.01 0.02 -0.07 -0.04 2.99 2.92 1z7hA1 PRO 56 HA -0.03 0.12 0.37 -0.51 4.44 4.38 1z7hA1 PRO 56 HB2 -0.01 -0.01 0.05 -0.04 2.28 2.28 1z7hA1 PRO 56 HB3 -0.05 0.07 0.08 -0.04 2.02 2.08 1z7hA1 PRO 56 HG2 -0.02 0.05 0.09 -0.04 2.03 2.10 1z7hA1 PRO 56 HG3 -0.05 0.09 0.08 -0.04 2.03 2.12 1z7hA1 PRO 56 HD2 0.01 0.08 0.21 -0.04 3.68 3.93 1z7hA1 PRO 56 HD3 0.01 0.23 0.25 -0.04 3.65 4.09 1z7hA1 GLU 57 H 0.04 0.06 -0.33 -0.55 8.60 7.83 1z7hA1 GLU 57 HA 0.04 0.12 0.50 -0.75 4.29 4.20 1z7hA1 GLU 57 HB2 0.01 -0.02 0.04 -0.04 2.09 2.09 1z7hA1 GLU 57 HB3 0.02 -0.01 -0.01 -0.04 1.99 1.95 1z7hA1 GLU 57 HG2 -0.00 0.07 -0.10 -0.04 2.34 2.26 1z7hA1 GLU 57 HG3 -0.00 0.01 0.05 -0.04 2.34 2.36 1z7hA1 ASP 58 H 0.12 0.35 -0.16 -0.55 8.40 8.16 1z7hA1 ASP 58 HA 0.03 0.07 0.38 -0.75 4.63 4.35 1z7hA1 ASP 58 HB2 0.13 0.15 0.13 -0.04 2.71 3.08 1z7hA1 ASP 58 HB3 -0.01 0.02 0.06 -0.04 2.70 2.73 1z7hA1 PHE 59 H 0.39 0.22 -0.52 -0.55 8.34 7.87 1z7hA1 PHE 59 HA 0.11 0.06 0.49 -0.75 4.62 4.53 1z7hA1 PHE 59 HB2 0.00 0.15 0.05 -0.04 3.15 3.32 1z7hA1 PHE 59 HB3 0.02 -0.10 0.06 -0.04 3.06 2.99 1z7hA1 PHE 59 HD2 0.00 -0.00 -0.12 -0.04 7.28 7.13 1z7hA1 PHE 59 HE2 -0.01 0.03 -0.25 -0.04 7.38 7.11 1z7hA1 PHE 59 HZ -0.02 0.05 -0.46 -0.04 7.32 6.84 1z7hA1 ASN 60 H 0.07 0.45 -0.34 -0.55 8.53 8.15 1z7hA1 ASN 60 HA -0.03 0.06 0.79 -0.75 4.76 4.83 1z7hA1 ASN 60 HB2 -0.03 0.13 0.14 -0.04 2.88 3.07 1z7hA1 ASN 60 HB3 -0.06 0.02 0.05 -0.04 2.79 2.75 1z7hA1 ASN 60 HD21 0.01 -0.05 -0.02 -0.04 7.03 6.93 1z7hA1 ASN 60 HD22 0.01 -0.01 0.07 -0.04 7.74 7.77 1z7hA1 PRO 61 HA -1.09 0.07 0.36 -0.51 4.44 3.28 1z7hA1 PRO 61 HB2 -0.17 0.00 0.06 -0.04 2.28 2.13 1z7hA1 PRO 61 HB3 -0.23 0.00 0.12 -0.04 2.02 1.87 1z7hA1 PRO 61 HG2 -0.09 0.00 0.08 -0.04 2.03 1.98 1z7hA1 PRO 61 HG3 -0.18 0.02 0.07 -0.04 2.03 1.90 1z7hA1 PRO 61 HD2 -0.11 0.06 0.19 -0.04 3.68 3.77 1z7hA1 PRO 61 HD3 -0.10 0.14 0.25 -0.04 3.65 3.90 1z7hA1 PRO 62 HA -0.13 0.13 0.43 -0.51 4.44 4.37 1z7hA1 PRO 62 HB2 -0.06 0.01 -0.04 -0.04 2.28 2.14 1z7hA1 PRO 62 HB3 -0.09 0.08 0.08 -0.04 2.02 2.05 1z7hA1 PRO 62 HG2 -0.09 -0.16 -0.03 -0.04 2.03 1.71 1z7hA1 PRO 62 HG3 -0.05 0.05 0.05 -0.04 2.03 2.04 1z7hA1 PRO 62 HD2 -0.36 0.06 0.20 -0.04 3.68 3.55 1z7hA1 PRO 62 HD3 -0.57 0.20 0.14 -0.04 3.65 3.38 1z7hA1 SER 63 H -0.05 0.13 0.04 -0.55 8.46 8.03 1z7hA1 SER 63 HA -0.04 0.08 0.40 -0.75 4.49 4.17 1z7hA1 SER 63 HB2 -0.03 -0.01 0.16 -0.04 3.95 4.03 1z7hA1 SER 63 HB3 -0.03 0.02 0.08 -0.04 3.93 3.96 1z7hA1 SER 64 H -0.05 0.40 0.26 -0.55 8.46 8.53 1z7hA1 SER 64 HA -0.03 -0.01 0.33 -0.75 4.49 4.03 1z7hA1 SER 64 HB2 -0.02 0.09 -0.13 -0.04 3.95 3.85 1z7hA1 SER 64 HB3 -0.02 0.02 0.13 -0.04 3.93 4.03 1z7hA1 LEU 65 H -0.04 0.08 -0.14 -0.55 8.37 7.73 1z7hA1 LEU 65 HA -0.02 -0.04 0.15 -0.75 4.35 3.68 1z7hA1 LEU 65 HB2 -0.02 -0.01 0.08 -0.04 1.64 1.65 1z7hA1 LEU 65 HB3 0.00 -0.01 -0.02 -0.04 1.64 1.57 1z7hA1 LEU 65 HG 0.01 0.36 0.01 -0.04 1.64 1.98 1z7hA1 LEU 65 HD13 0.02 -0.03 0.08 -0.04 0.93 0.96 1z7hA1 LEU 65 HD23 0.05 0.01 0.00 -0.04 0.89 0.92 1z7hA1 ILE 66 H -0.01 0.03 0.12 -0.55 8.25 7.84 1z7hA1 ILE 66 HA -0.01 0.11 0.46 -0.75 4.18 3.99 1z7hA1 ILE 66 HB -0.01 -0.02 -0.01 -0.04 1.89 1.81 1z7hA1 ILE 66 HG12 -0.01 0.05 0.03 -0.04 1.49 1.52 1z7hA1 ILE 66 HG13 -0.01 -0.05 0.07 -0.04 1.21 1.18 1z7hA1 ILE 66 HG23 -0.02 0.01 -0.04 -0.04 0.93 0.84 1z7hA1 ILE 66 HD13 -0.01 0.00 0.01 -0.04 0.88 0.83 1z7hA1 GLU 67 H -0.01 0.13 0.09 -0.55 8.60 8.26 1z7hA1 GLU 67 HA -0.01 0.10 0.42 -0.75 4.29 4.05 1z7hA1 GLU 67 HB2 -0.01 -0.01 0.19 -0.04 2.09 2.22 1z7hA1 GLU 67 HB3 -0.02 -0.01 0.24 -0.04 1.99 2.17 1z7hA1 GLU 67 HG2 -0.01 -0.01 0.04 -0.04 2.34 2.32 1z7hA1 GLU 67 HG3 -0.01 -0.01 0.01 -0.04 2.34 2.29 1z7hA1 GLY 68 H -0.00 0.58 0.10 -0.55 8.43 8.56 1z7hA1 GLY 68 HA2 -0.03 0.14 0.60 -0.51 4.01 4.21 1z7hA1 GLY 68 HA3 -0.02 -0.02 0.26 -0.51 4.01 3.72 1z7hA1 ALA 69 H -0.01 0.16 -0.06 -0.55 8.40 7.94 1z7hA1 ALA 69 HA 0.03 0.07 0.41 -0.75 4.34 4.09 1z7hA1 ALA 69 HB3 0.01 0.01 0.13 -0.04 1.41 1.52 1z7hA1 SER 70 H 0.02 0.44 0.41 -0.55 8.46 8.78 1z7hA1 SER 70 HA -0.00 0.26 0.87 -0.75 4.49 4.85 1z7hA1 SER 70 HB2 -0.03 -0.01 -0.01 -0.04 3.95 3.86 1z7hA1 SER 70 HB3 -0.03 0.01 -0.13 -0.04 3.93 3.73 1z7hA1 GLU 71 H 0.01 0.12 0.21 -0.55 8.60 8.39 1z7hA1 GLU 71 HA -0.09 0.12 0.68 -0.75 4.29 4.23 1z7hA1 GLU 71 HB2 0.07 -0.02 0.15 -0.04 2.09 2.25 1z7hA1 GLU 71 HB3 -0.22 0.03 -0.02 -0.04 1.99 1.74 1z7hA1 GLU 71 HG2 -0.07 0.07 -0.05 -0.04 2.34 2.25 1z7hA1 GLU 71 HG3 -0.02 -0.04 0.07 -0.04 2.34 2.32 1z7hA1 TYR 72 H -0.10 0.11 0.19 -0.55 8.29 7.94 1z7hA1 TYR 72 HA -0.01 0.16 0.81 -0.75 4.56 4.76 1z7hA1 TYR 72 HB2 -0.10 0.10 -0.06 -0.04 3.06 2.96 1z7hA1 TYR 72 HB3 -0.31 -0.10 0.06 -0.04 2.98 2.60 1z7hA1 TYR 72 HD2 -0.42 -0.02 -0.05 -0.04 7.15 6.62 1z7hA1 TYR 72 HE2 -0.04 -0.06 -0.03 -0.04 6.85 6.68 1z7hA1 TYR 73 H -0.39 0.18 0.20 -0.55 8.29 7.73 1z7hA1 TYR 73 HA -0.36 0.28 1.01 -0.75 4.56 4.74 1z7hA1 TYR 73 HB2 -0.21 -0.09 0.03 -0.04 3.06 2.76 1z7hA1 TYR 73 HB3 -0.17 0.20 0.07 -0.04 2.98 3.04 1z7hA1 TYR 73 HD2 -0.13 0.07 -0.23 -0.04 7.15 6.82 1z7hA1 TYR 73 HE2 -0.10 0.05 -0.16 -0.04 6.85 6.61 1z7hA1 ASP 74 H -0.05 0.35 0.05 -0.55 8.40 8.19 1z7hA1 ASP 74 HA -0.07 0.06 0.45 -0.75 4.63 4.31 1z7hA1 ASP 74 HB2 -0.35 0.24 -0.02 -0.04 2.71 2.54 1z7hA1 ASP 74 HB3 -0.12 -0.01 0.04 -0.04 2.70 2.57 1z7hA1 PRO 75 HA 0.21 0.16 0.39 -0.51 4.44 4.69 1z7hA1 PRO 75 HB2 0.03 -0.04 -0.03 -0.04 2.28 2.21 1z7hA1 PRO 75 HB3 0.06 0.05 0.04 -0.04 2.02 2.12 1z7hA1 PRO 75 HG2 0.05 -0.02 -0.04 -0.04 2.03 1.98 1z7hA1 PRO 75 HG3 0.16 0.40 -0.21 -0.04 2.03 2.34 1z7hA1 PRO 75 HD2 0.03 0.04 0.15 -0.04 3.68 3.86 1z7hA1 PRO 75 HD3 0.03 0.15 0.17 -0.04 3.65 3.97 1z7hA1 ASN 76 H 0.06 0.01 -0.48 -0.55 8.53 7.57 1z7hA1 ASN 76 HA 0.00 0.20 0.63 -0.75 4.76 4.84 1z7hA1 ASN 76 HB2 0.05 -0.01 -0.03 -0.04 2.88 2.86 1z7hA1 ASN 76 HB3 0.03 -0.06 0.08 -0.04 2.79 2.79 1z7hA1 ASN 76 HD21 0.01 0.02 -0.04 -0.04 7.03 6.99 1z7hA1 ASN 76 HD22 0.03 0.00 -0.02 -0.04 7.74 7.71 1z7hA1 TYR 77 H 0.18 0.54 -0.24 -0.55 8.29 8.22 1z7hA1 TYR 77 HA 0.03 -0.09 0.46 -0.75 4.56 4.21 1z7hA1 TYR 77 HB2 0.03 -0.05 0.08 -0.04 3.06 3.08 1z7hA1 TYR 77 HB3 0.02 0.20 0.07 -0.04 2.98 3.22 1z7hA1 TYR 77 HD2 0.07 0.04 -0.07 -0.04 7.15 7.15 1z7hA1 TYR 77 HE2 0.12 0.02 0.01 -0.04 6.85 6.96 1z7hA1 LEU 78 H -0.58 0.02 0.16 -0.55 8.37 7.42 1z7hA1 LEU 78 HA -0.41 -0.14 0.28 -0.75 4.35 3.34 1z7hA1 LEU 78 HB2 -0.56 0.04 -0.47 -0.04 1.64 0.61 1z7hA1 LEU 78 HB3 -0.31 0.04 0.17 -0.04 1.64 1.50 1z7hA1 LEU 78 HG -0.77 -0.04 -0.05 -0.04 1.64 0.74 1z7hA1 LEU 78 HD13 -0.82 0.01 -0.17 -0.04 0.93 -0.09 1z7hA1 LEU 78 HD23 -0.39 0.00 -0.18 -0.04 0.89 0.28 1z7hA1 ARG 79 H -0.15 -0.15 0.06 -0.55 8.46 7.67 1z7hA1 ARG 79 HA -0.11 0.27 0.95 -0.75 4.34 4.70 1z7hA1 ARG 79 HB2 -0.06 -0.04 0.01 -0.04 1.90 1.77 1z7hA1 ARG 79 HB3 -0.06 -0.05 0.04 -0.04 1.80 1.69 1z7hA1 ARG 79 HG2 -0.06 0.10 -0.86 -0.04 1.67 0.81 1z7hA1 ARG 79 HG3 -0.05 -0.04 -0.04 -0.04 1.67 1.50 1z7hA1 ARG 79 HD2 -0.10 -0.13 0.03 -0.04 3.22 2.97 1z7hA1 ARG 79 HD3 -0.11 0.19 -0.05 -0.04 3.22 3.20 1z7hA1 THR 80 H -0.10 -0.11 0.20 -0.55 8.28 7.72 1z7hA1 THR 80 HA -0.04 0.34 0.89 -0.75 4.39 4.82 1z7hA1 THR 80 HB -0.02 0.00 0.20 -0.04 4.32 4.46 1z7hA1 THR 80 HG23 -0.03 0.06 0.03 -0.04 1.22 1.25 1z7hA1 ASP 81 H -0.01 0.23 0.20 -0.55 8.40 8.27 1z7hA1 ASP 81 HA -0.21 0.18 0.43 -0.75 4.63 4.28 1z7hA1 ASP 81 HB2 0.05 -0.02 0.17 -0.04 2.71 2.87 1z7hA1 ASP 81 HB3 0.13 0.01 0.00 -0.04 2.70 2.81 1z7hA1 SER 82 H -0.02 0.10 -0.10 -0.55 8.46 7.89 1z7hA1 SER 82 HA -0.00 0.11 0.48 -0.75 4.49 4.32 1z7hA1 SER 82 HB2 -0.01 -0.03 0.07 -0.04 3.95 3.94 1z7hA1 SER 82 HB3 0.00 0.07 0.00 -0.04 3.93 3.97 1z7hA1 ASP 83 H -0.08 0.04 -0.25 -0.55 8.40 7.56 1z7hA1 ASP 83 HA -0.05 0.11 0.49 -0.75 4.63 4.43 1z7hA1 ASP 83 HB2 -0.17 0.11 0.18 -0.04 2.71 2.78 1z7hA1 ASP 83 HB3 -0.22 0.01 0.14 -0.04 2.70 2.58 1z7hA1 LYS 84 H -0.25 0.45 -0.18 -0.55 8.42 7.90 1z7hA1 LYS 84 HA -0.18 0.08 0.44 -0.75 4.32 3.91 1z7hA1 LYS 84 HB2 -1.00 -0.00 0.14 -0.04 1.87 0.97 1z7hA1 LYS 84 HB3 -0.79 0.02 0.06 -0.04 1.79 1.05 1z7hA1 LYS 84 HG2 -0.31 0.19 0.01 -0.04 1.46 1.30 1z7hA1 LYS 84 HG3 -0.31 0.03 -0.09 -0.04 1.46 1.04 1z7hA1 LYS 84 HD2 -0.43 -0.14 -0.15 -0.04 1.69 0.92 1z7hA1 LYS 84 HD3 -0.29 0.03 0.01 -0.04 1.68 1.39 1z7hA1 LYS 84 HE2 -0.13 0.20 0.03 -0.04 2.99 3.04 1z7hA1 LYS 84 HE3 -0.14 -0.08 -0.36 -0.04 2.99 2.38 1z7hA1 ASP 85 H -0.16 0.51 -0.08 -0.55 8.40 8.13 1z7hA1 ASP 85 HA 0.03 0.01 0.49 -0.75 4.63 4.41 1z7hA1 ASP 85 HB2 0.10 0.04 0.20 -0.04 2.71 3.01 1z7hA1 ASP 85 HB3 0.02 0.09 0.19 -0.04 2.70 2.96 1z7hA1 ARG 86 H 0.00 0.46 -0.17 -0.55 8.46 8.20 1z7hA1 ARG 86 HA 0.03 0.01 0.44 -0.75 4.34 4.07 1z7hA1 ARG 86 HB2 0.03 0.01 0.17 -0.04 1.90 2.07 1z7hA1 ARG 86 HB3 0.04 0.12 0.22 -0.04 1.80 2.14 1z7hA1 ARG 86 HG2 0.08 0.02 -0.11 -0.04 1.67 1.62 1z7hA1 ARG 86 HG3 0.04 -0.06 0.05 -0.04 1.67 1.66 1z7hA1 ARG 86 HD2 0.04 -0.03 0.04 -0.04 3.22 3.24 1z7hA1 ARG 86 HD3 0.05 -0.02 0.04 -0.04 3.22 3.24 1z7hA1 PHE 87 H 0.14 0.51 -0.18 -0.55 8.34 8.26 1z7hA1 PHE 87 HA 0.05 -0.01 0.41 -0.75 4.62 4.32 1z7hA1 PHE 87 HB2 -0.06 0.01 0.14 -0.04 3.15 3.20 1z7hA1 PHE 87 HB3 -0.06 0.17 0.21 -0.04 3.06 3.33 1z7hA1 PHE 87 HD2 0.09 -0.02 -0.06 -0.04 7.28 7.24 1z7hA1 PHE 87 HE2 0.18 0.06 -0.08 -0.04 7.38 7.51 1z7hA1 PHE 87 HZ 0.26 0.18 -0.19 -0.04 7.32 7.52 1z7hA1 LEU 88 H 0.12 0.58 -0.15 -0.55 8.37 8.37 1z7hA1 LEU 88 HA -0.02 0.02 0.39 -0.75 4.35 3.98 1z7hA1 LEU 88 HB2 -0.05 0.07 0.11 -0.04 1.64 1.73 1z7hA1 LEU 88 HB3 -0.03 0.07 0.22 -0.04 1.64 1.86 1z7hA1 LEU 88 HG 0.07 0.02 -0.20 -0.04 1.64 1.48 1z7hA1 LEU 88 HD13 -0.23 -0.00 -0.05 -0.04 0.93 0.60 1z7hA1 LEU 88 HD23 -0.70 -0.04 -0.23 -0.04 0.89 -0.13 1z7hA1 GLN 89 H 0.01 0.61 -0.05 -0.55 8.47 8.50 1z7hA1 GLN 89 HA 0.01 0.05 0.50 -0.75 4.36 4.18 1z7hA1 GLN 89 HB2 0.02 0.07 0.15 -0.04 2.15 2.34 1z7hA1 GLN 89 HB3 0.01 -0.04 0.07 -0.04 2.02 2.02 1z7hA1 GLN 89 HG2 0.03 0.24 0.07 -0.04 2.40 2.70 1z7hA1 GLN 89 HG3 0.03 -0.07 0.03 -0.04 2.39 2.33 1z7hA1 GLN 89 HE21 0.09 0.66 0.30 -0.04 6.97 7.98 1z7hA1 GLN 89 HE22 0.05 -0.13 0.15 -0.04 7.69 7.71 1z7hA1 THR 90 H -0.04 0.50 -0.26 -0.55 8.28 7.94 1z7hA1 THR 90 HA -0.02 0.02 0.42 -0.75 4.39 4.05 1z7hA1 THR 90 HB -0.11 0.16 0.16 -0.04 4.32 4.48 1z7hA1 THR 90 HG23 -0.04 -0.03 -0.11 -0.04 1.22 1.01 1z7hA1 MET 91 H -0.17 0.56 -0.07 -0.55 8.47 8.24 1z7hA1 MET 91 HA 0.01 -0.00 0.39 -0.75 4.52 4.16 1z7hA1 MET 91 HB2 -0.10 0.11 0.09 -0.04 2.15 2.21 1z7hA1 MET 91 HB3 0.03 -0.03 -0.03 -0.04 2.03 1.96 1z7hA1 MET 91 HG2 -0.84 0.24 0.03 -0.04 2.63 2.01 1z7hA1 MET 91 HG3 -0.33 0.00 -0.08 -0.04 2.56 2.11 1z7hA1 MET 91 HE3 -0.02 -0.00 -0.07 -0.04 2.10 1.96 1z7hA1 VAL 92 H 0.00 0.45 -0.28 -0.55 8.24 7.85 1z7hA1 VAL 92 HA 0.02 0.06 0.43 -0.75 4.13 3.88 1z7hA1 VAL 92 HB -0.01 0.09 0.15 -0.04 2.12 2.31 1z7hA1 VAL 92 HG13 -0.09 -0.01 -0.05 -0.04 0.97 0.78 1z7hA1 VAL 92 HG23 -0.01 0.08 0.06 -0.04 0.95 1.03 1z7hA1 LYS 93 H 0.02 0.39 -0.30 -0.55 8.42 7.98 1z7hA1 LYS 93 HA 0.05 0.03 0.48 -0.75 4.32 4.13 1z7hA1 LYS 93 HB2 0.03 0.08 0.12 -0.04 1.87 2.06 1z7hA1 LYS 93 HB3 0.03 0.11 0.10 -0.04 1.79 1.99 1z7hA1 LYS 93 HG2 0.16 -0.04 -0.22 -0.04 1.46 1.31 1z7hA1 LYS 93 HG3 0.08 -0.09 0.02 -0.04 1.46 1.42 1z7hA1 LYS 93 HD2 0.06 -0.04 -0.02 -0.04 1.69 1.64 1z7hA1 LYS 93 HD3 0.08 0.10 -0.11 -0.04 1.68 1.70 1z7hA1 LYS 93 HE2 0.26 -0.07 -0.29 -0.04 2.99 2.84 1z7hA1 LYS 93 HE3 0.08 -0.20 -0.01 -0.04 2.99 2.81 1z7hA1 LEU 94 H 0.05 0.61 -0.08 -0.55 8.37 8.40 1z7hA1 LEU 94 HA 0.07 -0.02 0.37 -0.75 4.35 4.02 1z7hA1 LEU 94 HB2 0.02 0.11 0.09 -0.04 1.64 1.83 1z7hA1 LEU 94 HB3 -0.06 -0.06 -0.04 -0.04 1.64 1.43 1z7hA1 LEU 94 HG -0.01 0.27 -0.01 -0.04 1.64 1.85 1z7hA1 LEU 94 HD13 0.12 -0.00 -0.16 -0.04 0.93 0.85 1z7hA1 LEU 94 HD23 -0.08 -0.04 -0.11 -0.04 0.89 0.62 1z7hA1 PHE 95 H 0.23 0.57 -0.27 -0.55 8.34 8.32 1z7hA1 PHE 95 HA -0.03 0.01 0.41 -0.75 4.62 4.25 1z7hA1 PHE 95 HB2 -0.04 0.17 0.15 -0.04 3.15 3.38 1z7hA1 PHE 95 HB3 -0.03 -0.01 -0.09 -0.04 3.06 2.89 1z7hA1 PHE 95 HD2 -0.06 0.10 -0.04 -0.04 7.28 7.25 1z7hA1 PHE 95 HE2 -0.08 0.00 -0.10 -0.04 7.38 7.16 1z7hA1 PHE 95 HZ -0.06 0.01 -0.12 -0.04 7.32 7.11 1z7hA1 ASN 96 H 0.11 0.46 -0.26 -0.55 8.53 8.30 1z7hA1 ASN 96 HA 0.06 0.02 0.49 -0.75 4.76 4.58 1z7hA1 ASN 96 HB2 0.05 0.10 0.23 -0.04 2.88 3.22 1z7hA1 ASN 96 HB3 0.03 -0.07 0.02 -0.04 2.79 2.74 1z7hA1 ASN 96 HD21 -0.03 -0.03 -0.01 -0.04 7.03 6.92 1z7hA1 ASN 96 HD22 0.02 0.17 -0.03 -0.04 7.74 7.86 1z7hA1 ARG 97 H 0.07 0.49 -0.19 -0.55 8.46 8.28 1z7hA1 ARG 97 HA 0.06 0.40 0.50 -0.75 4.34 4.56 1z7hA1 ARG 97 HB2 0.11 -0.08 0.08 -0.04 1.90 1.97 1z7hA1 ARG 97 HB3 0.10 0.09 0.13 -0.04 1.80 2.08 1z7hA1 ARG 97 HG2 0.13 -0.05 -0.26 -0.04 1.67 1.46 1z7hA1 ARG 97 HG3 0.17 0.06 -0.19 -0.04 1.67 1.67 1z7hA1 ARG 97 HD2 -0.12 -0.11 -0.12 -0.04 3.22 2.84 1z7hA1 ARG 97 HD3 0.08 -0.01 -0.05 -0.04 3.22 3.19 1z7hA1 ILE 98 H 0.02 0.45 -0.24 -0.55 8.25 7.94 1z7hA1 ILE 98 HA 0.27 -0.01 0.39 -0.75 4.18 4.08 1z7hA1 ILE 98 HB -0.14 0.12 0.11 -0.04 1.89 1.93 1z7hA1 ILE 98 HG12 -0.21 -0.07 -0.02 -0.04 1.49 1.15 1z7hA1 ILE 98 HG13 -0.13 0.13 0.06 -0.04 1.21 1.22 1z7hA1 ILE 98 HG23 -0.06 -0.03 -0.20 -0.04 0.93 0.60 1z7hA1 ILE 98 HD13 -0.44 -0.02 -0.11 -0.04 0.88 0.27 1z7hA1 LYS 99 H 0.05 0.58 -0.17 -0.55 8.42 8.33 1z7hA1 LYS 99 HA 0.04 -0.05 0.32 -0.75 4.32 3.88 1z7hA1 LYS 99 HB2 0.06 -0.05 0.02 -0.04 1.87 1.86 1z7hA1 LYS 99 HB3 0.06 0.13 0.17 -0.04 1.79 2.10 1z7hA1 LYS 99 HG2 0.02 0.04 -0.44 -0.04 1.46 1.03 1z7hA1 LYS 99 HG3 0.02 -0.08 -0.03 -0.04 1.46 1.33 1z7hA1 LYS 99 HD2 0.01 0.08 -0.12 -0.04 1.69 1.62 1z7hA1 LYS 99 HD3 0.03 -0.01 -0.07 -0.04 1.68 1.59 1z7hA1 LYS 99 HE2 -0.00 -0.03 -0.05 -0.04 2.99 2.87 1z7hA1 LYS 99 HE3 -0.01 -0.05 0.02 -0.04 2.99 2.91 1z7hA1 ASN 100 H 0.04 0.51 -0.32 -0.55 8.53 8.21 1z7hA1 ASN 100 HA -0.01 -0.02 0.42 -0.75 4.76 4.39 1z7hA1 ASN 100 HB2 0.01 0.23 0.19 -0.04 2.88 3.28 1z7hA1 ASN 100 HB3 -0.03 -0.15 0.19 -0.04 2.79 2.77 1z7hA1 ASN 100 HD21 0.00 -0.19 -0.05 -0.04 7.03 6.76 1z7hA1 ASN 100 HD22 0.00 0.36 -0.02 -0.04 7.74 8.04 1z7hA1 ASN 101 H -0.02 0.39 -0.59 -0.55 8.53 7.76 1z7hA1 ASN 101 HA -0.21 0.14 0.89 -0.75 4.76 4.83 1z7hA1 ASN 101 HB2 -0.67 0.15 0.01 -0.04 2.88 2.33 1z7hA1 ASN 101 HB3 -0.62 -0.03 0.16 -0.04 2.79 2.25 1z7hA1 ASN 101 HD21 -0.54 0.30 0.01 -0.04 7.03 6.77 1z7hA1 ASN 101 HD22 -0.81 0.06 0.05 -0.04 7.74 7.00 1z7hA1 VAL 102 H -0.11 0.21 0.14 -0.55 8.24 7.93 1z7hA1 VAL 102 HA -0.02 0.12 0.34 -0.75 4.13 3.81 1z7hA1 VAL 102 HB -0.02 0.02 0.05 -0.04 2.12 2.13 1z7hA1 VAL 102 HG13 -0.04 0.02 0.08 -0.04 0.97 0.99 1z7hA1 VAL 102 HG23 -0.06 0.01 0.04 -0.04 0.95 0.90 1z7hA1 ALA 103 H -0.09 0.10 -0.27 -0.55 8.40 7.60 1z7hA1 ALA 103 HA 0.09 0.10 0.48 -0.75 4.34 4.25 1z7hA1 ALA 103 HB3 0.06 0.02 0.04 -0.04 1.41 1.49 1z7hA1 GLY 104 H 0.07 0.28 -0.15 -0.55 8.43 8.08 1z7hA1 GLY 104 HA2 0.18 0.01 0.52 -0.51 4.01 4.21 1z7hA1 GLY 104 HA3 0.31 0.28 0.35 -0.51 4.01 4.44 1z7hA1 GLU 105 H 0.05 0.64 0.01 -0.55 8.60 8.75 1z7hA1 GLU 105 HA 0.03 -0.01 0.37 -0.75 4.29 3.92 1z7hA1 GLU 105 HB2 0.01 0.18 0.14 -0.04 2.09 2.38 1z7hA1 GLU 105 HB3 0.01 0.02 0.14 -0.04 1.99 2.12 1z7hA1 GLU 105 HG2 0.01 -0.04 -0.01 -0.04 2.34 2.26 1z7hA1 GLU 105 HG3 0.02 0.01 -0.48 -0.04 2.34 1.85 1z7hA1 ALA 106 H 0.07 0.48 -0.28 -0.55 8.40 8.12 1z7hA1 ALA 106 HA 0.06 -0.00 0.40 -0.75 4.34 4.04 1z7hA1 ALA 106 HB3 0.18 0.03 0.09 -0.04 1.41 1.67 1z7hA1 LEU 107 H 0.05 0.33 -0.36 -0.55 8.37 7.84 1z7hA1 LEU 107 HA -0.83 0.04 0.36 -0.75 4.35 3.16 1z7hA1 LEU 107 HB2 -0.10 0.11 0.19 -0.04 1.64 1.79 1z7hA1 LEU 107 HB3 -0.18 0.04 0.04 -0.04 1.64 1.51 1z7hA1 LEU 107 HG -0.55 -0.01 -0.03 -0.04 1.64 1.01 1z7hA1 LEU 107 HD13 -0.19 -0.01 -0.10 -0.04 0.93 0.60 1z7hA1 LEU 107 HD23 -0.67 -0.00 -0.09 -0.04 0.89 0.09 1z7hA1 LEU 108 H -0.06 0.60 -0.11 -0.55 8.37 8.26 1z7hA1 LEU 108 HA -0.05 0.01 0.35 -0.75 4.35 3.91 1z7hA1 LEU 108 HB2 0.01 0.11 0.11 -0.04 1.64 1.83 1z7hA1 LEU 108 HB3 0.04 -0.05 -0.06 -0.04 1.64 1.53 1z7hA1 LEU 108 HG -0.05 0.15 -0.07 -0.04 1.64 1.63 1z7hA1 LEU 108 HD13 0.07 -0.02 -0.11 -0.04 0.93 0.84 1z7hA1 LEU 108 HD23 -0.04 -0.02 -0.08 -0.04 0.89 0.71 1z7hA1 ASP 109 H -0.02 0.60 -0.20 -0.55 8.40 8.24 1z7hA1 ASP 109 HA -0.01 -0.03 0.35 -0.75 4.63 4.19 1z7hA1 ASP 109 HB2 0.01 0.07 0.11 -0.04 2.71 2.86 1z7hA1 ASP 109 HB3 0.02 0.10 0.10 -0.04 2.70 2.88 1z7hA1 LYS 110 H -0.04 0.59 -0.15 -0.55 8.42 8.27 1z7hA1 LYS 110 HA 0.04 -0.00 0.35 -0.75 4.32 3.95 1z7hA1 LYS 110 HB2 0.00 0.08 0.12 -0.04 1.87 2.03 1z7hA1 LYS 110 HB3 -0.15 0.07 0.07 -0.04 1.79 1.74 1z7hA1 LYS 110 HG2 0.11 -0.00 -0.07 -0.04 1.46 1.46 1z7hA1 LYS 110 HG3 0.21 0.02 -0.05 -0.04 1.46 1.60 1z7hA1 LYS 110 HD2 0.11 -0.03 -0.01 -0.04 1.69 1.72 1z7hA1 LYS 110 HD3 0.20 -0.03 -0.03 -0.04 1.68 1.77 1z7hA1 LYS 110 HE2 0.14 0.06 -0.03 -0.04 2.99 3.12 1z7hA1 LYS 110 HE3 0.06 -0.06 -0.03 -0.04 2.99 2.93 1z7hA1 ILE 111 H -0.09 0.49 -0.21 -0.55 8.25 7.90 1z7hA1 ILE 111 HA -0.03 0.06 0.39 -0.75 4.18 3.85 1z7hA1 ILE 111 HB -0.05 0.08 0.12 -0.04 1.89 2.01 1z7hA1 ILE 111 HG12 -0.07 -0.04 -0.02 -0.04 1.49 1.31 1z7hA1 ILE 111 HG13 -0.16 0.10 0.04 -0.04 1.21 1.15 1z7hA1 ILE 111 HG23 0.00 -0.02 -0.23 -0.04 0.93 0.64 1z7hA1 ILE 111 HD13 -0.12 -0.03 -0.11 -0.04 0.88 0.58 1z7hA1 ILE 112 H -0.02 0.59 -0.11 -0.55 8.25 8.16 1z7hA1 ILE 112 HA -0.01 0.02 0.32 -0.75 4.18 3.75 1z7hA1 ILE 112 HB -0.02 0.06 0.09 -0.04 1.89 1.99 1z7hA1 ILE 112 HG12 -0.01 0.14 -0.01 -0.04 1.49 1.57 1z7hA1 ILE 112 HG13 0.00 0.15 0.03 -0.04 1.21 1.36 1z7hA1 ILE 112 HG23 -0.03 -0.04 -0.18 -0.04 0.93 0.64 1z7hA1 ILE 112 HD13 -0.01 -0.07 -0.09 -0.04 0.88 0.67 1z7hA1 ASN 113 H -0.04 0.45 -0.32 -0.55 8.53 8.08 1z7hA1 ASN 113 HA -0.08 0.04 0.63 -0.75 4.76 4.60 1z7hA1 ASN 113 HB2 -0.03 0.13 0.05 -0.04 2.88 2.99 1z7hA1 ASN 113 HB3 -0.06 -0.07 0.08 -0.04 2.79 2.70 1z7hA1 ASN 113 HD21 -0.02 -0.14 -0.04 -0.04 7.03 6.79 1z7hA1 ASN 113 HD22 -0.01 0.13 -0.09 -0.04 7.74 7.73 1z7hA1 ALA 114 H -0.09 0.32 -0.43 -0.55 8.40 7.65 1z7hA1 ALA 114 HA -0.35 0.06 0.53 -0.75 4.34 3.82 1z7hA1 ALA 114 HB3 -0.37 0.02 0.09 -0.04 1.41 1.10 1z7hA1 ILE 115 H -0.13 0.29 -0.37 -0.55 8.25 7.50 1z7hA1 ILE 115 HA -0.02 0.07 0.29 -0.75 4.18 3.77 1z7hA1 ILE 115 HB 0.03 -0.01 0.00 -0.04 1.89 1.87 1z7hA1 ILE 115 HG12 -0.17 0.04 0.02 -0.04 1.49 1.34 1z7hA1 ILE 115 HG13 0.16 0.10 -0.24 -0.04 1.21 1.20 1z7hA1 ILE 115 HG23 -0.09 -0.01 -0.05 -0.04 0.93 0.74 1z7hA1 ILE 115 HD13 -0.37 -0.05 -0.04 -0.04 0.88 0.37 1z7hA1 PRO 116 HA 0.12 0.27 0.50 -0.51 4.44 4.82 1z7hA1 PRO 116 HB2 0.10 -0.10 -0.03 -0.04 2.28 2.21 1z7hA1 PRO 116 HB3 0.11 -0.00 -0.16 -0.04 2.02 1.93 1z7hA1 PRO 116 HG2 0.07 0.04 0.02 -0.04 2.03 2.12 1z7hA1 PRO 116 HG3 0.06 0.12 0.04 -0.04 2.03 2.21 1z7hA1 PRO 116 HD2 0.07 -0.02 0.15 -0.04 3.68 3.84 1z7hA1 PRO 116 HD3 0.03 0.16 0.21 -0.04 3.65 4.02 1z7hA1 TYR 117 H 0.28 0.62 0.25 -0.55 8.29 8.89 1z7hA1 TYR 117 HA -0.41 0.01 0.49 -0.75 4.56 3.90 1z7hA1 TYR 117 HB2 0.01 0.16 0.18 -0.04 3.06 3.36 1z7hA1 TYR 117 HB3 0.25 0.00 0.12 -0.04 2.98 3.31 1z7hA1 TYR 117 HD2 -0.36 0.04 -0.27 -0.04 7.15 6.52 1z7hA1 TYR 117 HE2 0.06 -0.01 -0.17 -0.04 6.85 6.69 1z7hA1 LEU 118 H -0.67 0.10 0.06 -0.55 8.37 7.32 1z7hA1 LEU 118 HA -0.04 0.17 0.50 -0.75 4.35 4.23 1z7hA1 LEU 118 HB2 -0.41 -0.06 0.19 -0.04 1.64 1.32 1z7hA1 LEU 118 HB3 -0.11 -0.12 -0.04 -0.04 1.64 1.33 1z7hA1 LEU 118 HG -0.14 0.11 0.00 -0.04 1.64 1.58 1z7hA1 LEU 118 HD13 -0.71 -0.04 -0.09 -0.04 0.93 0.05 1z7hA1 LEU 118 HD23 -0.06 0.02 -0.14 -0.04 0.89 0.67 1z7hA1 GLY 119 H 0.14 0.77 0.01 -0.55 8.43 8.79 1z7hA1 GLY 119 HA2 0.04 -0.08 0.30 -0.51 4.01 3.76 1z7hA1 GLY 119 HA3 0.19 0.16 0.54 -0.51 4.01 4.39 1z7hA1 ASN 120 H -0.21 0.16 0.16 -0.55 8.53 8.10 1z7hA1 ASN 120 HA -2.45 0.25 0.54 -0.75 4.76 2.34 1z7hA1 ASN 120 HB2 -0.02 -0.11 0.18 -0.04 2.88 2.88 1z7hA1 ASN 120 HB3 -0.16 0.27 -0.10 -0.04 2.79 2.75 1z7hA1 ASN 120 HD21 0.08 -0.00 -0.14 -0.04 7.03 6.93 1z7hA1 ASN 120 HD22 0.05 0.14 -0.20 -0.04 7.74 7.68 1z7hA1 SER 121 H -0.35 0.18 0.13 -0.55 8.46 7.87 1z7hA1 SER 121 HA -0.21 0.16 0.39 -0.75 4.49 4.08 1z7hA1 SER 121 HB2 -0.74 -0.05 0.08 -0.04 3.95 3.19 1z7hA1 SER 121 HB3 -0.74 0.03 0.10 -0.04 3.93 3.27 1z7hA1 TYR 122 H -0.18 -0.07 -0.55 -0.55 8.29 6.94 1z7hA1 TYR 122 HA -0.10 0.27 0.92 -0.75 4.56 4.89 1z7hA1 TYR 122 HB2 -0.14 -0.04 -0.07 -0.04 3.06 2.77 1z7hA1 TYR 122 HB3 -0.10 0.00 0.10 -0.04 2.98 2.94 1z7hA1 TYR 122 HD2 -0.42 -0.00 -0.08 -0.04 7.15 6.61 1z7hA1 TYR 122 HE2 -0.72 -0.00 -0.08 -0.04 6.85 6.01 1z7hA1 SER 123 H -0.09 0.28 -0.10 -0.55 8.46 8.01 1z7hA1 SER 123 HA 0.02 0.13 0.70 -0.75 4.49 4.59 1z7hA1 SER 123 HB2 0.02 0.03 0.13 -0.04 3.95 4.08 1z7hA1 SER 123 HB3 -0.01 -0.08 0.04 -0.04 3.93 3.85 1z7hA1 LEU 124 H 0.01 0.09 0.11 -0.55 8.37 8.04 1z7hA1 LEU 124 HA 0.00 0.03 0.42 -0.75 4.35 4.06 1z7hA1 LEU 124 HB2 0.01 0.06 0.14 -0.04 1.64 1.80 1z7hA1 LEU 124 HB3 0.00 -0.02 0.02 -0.04 1.64 1.60 1z7hA1 LEU 124 HG 0.01 -0.03 0.11 -0.04 1.64 1.68 1z7hA1 LEU 124 HD13 0.00 0.00 -0.02 -0.04 0.93 0.88 1z7hA1 LEU 124 HD23 0.00 0.02 -0.01 -0.04 0.89 0.86 1z7hA1 LEU 125 H 0.00 0.14 0.22 -0.55 8.37 8.18 1z7hA1 LEU 125 HA 0.04 0.12 0.27 -0.75 4.35 4.03 1z7hA1 LEU 125 HB2 0.01 0.03 0.09 -0.04 1.64 1.74 1z7hA1 LEU 125 HB3 -0.00 0.05 0.13 -0.04 1.64 1.78 1z7hA1 LEU 125 HG -0.01 -0.00 0.01 -0.04 1.64 1.60 1z7hA1 LEU 125 HD13 -0.00 -0.07 0.05 -0.04 0.93 0.86 1z7hA1 LEU 125 HD23 -0.00 0.03 -0.26 -0.04 0.89 0.61 1z7hA1 ASP 126 H -0.01 -0.03 -0.39 -0.55 8.40 7.42 1z7hA1 ASP 126 HA -0.03 0.31 0.51 -0.75 4.63 4.67 1z7hA1 ASP 126 HB2 -0.03 0.16 0.21 -0.04 2.71 3.01 1z7hA1 ASP 126 HB3 -0.02 -0.02 -0.02 -0.04 2.70 2.61 1z7hA1 LYS 127 H -0.01 0.55 -0.37 -0.55 8.42 8.03 1z7hA1 LYS 127 HA -0.13 0.17 0.90 -0.75 4.32 4.50 1z7hA1 LYS 127 HB2 -0.03 0.01 -0.29 -0.04 1.87 1.52 1z7hA1 LYS 127 HB3 -0.01 -0.08 -0.09 -0.04 1.79 1.57 1z7hA1 LYS 127 HG2 0.02 0.08 -0.40 -0.04 1.46 1.11 1z7hA1 LYS 127 HG3 -0.01 0.00 -0.38 -0.04 1.46 1.03 1z7hA1 LYS 127 HD2 -0.01 0.01 -0.16 -0.04 1.69 1.49 1z7hA1 LYS 127 HD3 -0.00 -0.05 -0.11 -0.04 1.68 1.48 1z7hA1 LYS 127 HE2 0.01 -0.07 -0.04 -0.04 2.99 2.85 1z7hA1 LYS 127 HE3 -0.00 -0.02 -0.36 -0.04 2.99 2.56 1z7hA1 PHE 128 H -0.11 0.47 0.36 -0.55 8.34 8.51 1z7hA1 PHE 128 HA -0.08 0.28 0.65 -0.75 4.62 4.72 1z7hA1 PHE 128 HB2 -0.09 -0.09 0.19 -0.04 3.15 3.12 1z7hA1 PHE 128 HB3 -0.14 -0.03 0.00 -0.04 3.06 2.85 1z7hA1 PHE 128 HD2 -0.15 0.04 -0.04 -0.04 7.28 7.08 1z7hA1 PHE 128 HE2 -0.07 0.05 -0.05 -0.04 7.38 7.27 1z7hA1 PHE 128 HZ 0.26 0.04 -0.12 -0.04 7.32 7.45 1z7hA1 ASP 129 H 0.10 0.91 0.27 -0.55 8.40 9.13 1z7hA1 ASP 129 HA 0.02 -0.02 0.99 -0.75 4.63 4.87 1z7hA1 ASP 129 HB2 0.04 0.09 -0.01 -0.04 2.71 2.78 1z7hA1 ASP 129 HB3 0.03 0.03 0.02 -0.04 2.70 2.74 1z7hA1 THR 130 H -0.02 0.07 0.11 -0.55 8.28 7.89 1z7hA1 THR 130 HA -0.04 0.31 0.79 -0.75 4.39 4.69 1z7hA1 THR 130 HB -0.08 0.07 0.03 -0.04 4.32 4.29 1z7hA1 THR 130 HG23 -0.11 0.01 -0.13 -0.04 1.22 0.95 1z7hA1 ASN 131 H -0.01 0.02 -0.11 -0.55 8.53 7.89 1z7hA1 ASN 131 HA -0.03 0.15 0.54 -0.75 4.76 4.67 1z7hA1 ASN 131 HB2 -0.02 -0.03 0.06 -0.04 2.88 2.85 1z7hA1 ASN 131 HB3 -0.01 0.00 0.17 -0.04 2.79 2.92 1z7hA1 ASN 131 HD21 -0.01 0.02 -0.01 -0.04 7.03 6.99 1z7hA1 ASN 131 HD22 -0.01 -0.01 0.03 -0.04 7.74 7.71 1z7hA1 SER 132 H -0.03 0.53 -0.06 -0.55 8.46 8.35 1z7hA1 SER 132 HA -0.01 0.11 0.55 -0.75 4.49 4.39 1z7hA1 SER 132 HB2 0.00 0.15 -0.23 -0.04 3.95 3.83 1z7hA1 SER 132 HB3 0.00 0.05 -0.17 -0.04 3.93 3.78 1z7hA1 ASN 133 H -0.02 0.20 0.13 -0.55 8.53 8.30 1z7hA1 ASN 133 HA -0.03 0.41 0.61 -0.75 4.76 5.00 1z7hA1 ASN 133 HB2 -0.10 -0.02 0.31 -0.04 2.88 3.03 1z7hA1 ASN 133 HB3 -0.04 -0.04 0.21 -0.04 2.79 2.89 1z7hA1 ASN 133 HD21 0.02 0.01 -0.02 -0.04 7.03 7.00 1z7hA1 ASN 133 HD22 -0.05 0.32 0.05 -0.04 7.74 8.02 1z7hA1 SER 134 H -0.02 -0.06 -0.71 -0.55 8.46 7.13 1z7hA1 SER 134 HA -0.04 0.13 0.64 -0.75 4.49 4.46 1z7hA1 SER 134 HB2 0.00 0.07 0.11 -0.04 3.95 4.09 1z7hA1 SER 134 HB3 -0.01 -0.03 -0.04 -0.04 3.93 3.81 1z7hA1 VAL 135 H -0.01 0.25 -0.03 -0.55 8.24 7.91 1z7hA1 VAL 135 HA 0.03 0.25 1.05 -0.75 4.13 4.71 1z7hA1 VAL 135 HB 0.01 0.01 0.07 -0.04 2.12 2.17 1z7hA1 VAL 135 HG13 0.04 -0.01 -0.15 -0.04 0.97 0.82 1z7hA1 VAL 135 HG23 -0.02 -0.00 -0.03 -0.04 0.95 0.86 1z7hA1 SER 136 H -0.02 0.27 0.26 -0.55 8.46 8.42 1z7hA1 SER 136 HA -0.14 0.30 1.06 -0.75 4.49 4.96 1z7hA1 SER 136 HB2 -0.08 -0.08 0.01 -0.04 3.95 3.76 1z7hA1 SER 136 HB3 -0.18 -0.09 0.03 -0.04 3.93 3.65 1z7hA1 PHE 137 H -0.58 0.58 0.36 -0.55 8.34 8.14 1z7hA1 PHE 137 HA -0.08 0.11 0.80 -0.75 4.62 4.70 1z7hA1 PHE 137 HB2 -0.11 0.21 0.06 -0.04 3.15 3.27 1z7hA1 PHE 137 HB3 -0.10 -0.00 -0.09 -0.04 3.06 2.83 1z7hA1 PHE 137 HD2 -0.15 0.12 -0.41 -0.04 7.28 6.80 1z7hA1 PHE 137 HE2 -0.36 -0.02 -0.30 -0.04 7.38 6.66 1z7hA1 PHE 137 HZ -1.11 0.00 -0.24 -0.04 7.32 5.93 1z7hA1 ASN 138 H 0.12 0.24 0.18 -0.55 8.53 8.52 1z7hA1 ASN 138 HA 0.01 0.27 1.02 -0.75 4.76 5.31 1z7hA1 ASN 138 HB2 0.03 -0.06 0.09 -0.04 2.88 2.91 1z7hA1 ASN 138 HB3 0.10 0.04 0.09 -0.04 2.79 2.97 1z7hA1 ASN 138 HD21 -0.01 0.00 -0.04 -0.04 7.03 6.94 1z7hA1 ASN 138 HD22 -0.01 -0.09 0.03 -0.04 7.74 7.62 1z7hA1 LEU 139 H 0.08 0.63 0.40 -0.55 8.37 8.94 1z7hA1 LEU 139 HA 0.21 0.13 0.74 -0.75 4.35 4.68 1z7hA1 LEU 139 HB2 0.01 0.04 0.05 -0.04 1.64 1.69 1z7hA1 LEU 139 HB3 0.15 0.03 -0.25 -0.04 1.64 1.53 1z7hA1 LEU 139 HG 0.01 -0.12 -0.31 -0.04 1.64 1.18 1z7hA1 LEU 139 HD13 0.00 0.02 -0.23 -0.04 0.93 0.68 1z7hA1 LEU 139 HD23 -0.04 0.03 -0.39 -0.04 0.89 0.45 1z7hA1 LEU 140 H -0.08 0.41 0.27 -0.55 8.37 8.43 1z7hA1 LEU 140 HA -0.11 0.30 0.97 -0.75 4.35 4.75 1z7hA1 LEU 140 HB2 -0.25 -0.08 0.15 -0.04 1.64 1.42 1z7hA1 LEU 140 HB3 -0.21 0.02 -0.01 -0.04 1.64 1.41 1z7hA1 LEU 140 HG -1.09 -0.04 -0.15 -0.04 1.64 0.32 1z7hA1 LEU 140 HD13 -0.62 -0.00 -0.09 -0.04 0.93 0.17 1z7hA1 LEU 140 HD23 -0.31 0.02 -0.15 -0.04 0.89 0.41 1z7hA1 GLU 141 H -0.06 0.73 0.35 -0.55 8.60 9.08 1z7hA1 GLU 141 HA -0.04 0.12 0.98 -0.75 4.29 4.60 1z7hA1 GLU 141 HB2 -0.01 0.05 -0.01 -0.04 2.09 2.08 1z7hA1 GLU 141 HB3 -0.02 0.02 -0.16 -0.04 1.99 1.79 1z7hA1 GLU 141 HG2 -0.02 0.02 -0.18 -0.04 2.34 2.12 1z7hA1 GLU 141 HG3 -0.02 -0.08 -0.20 -0.04 2.34 2.00 1z7hA1 GLN 142 H -0.03 0.18 0.11 -0.55 8.47 8.18 1z7hA1 GLN 142 HA -0.03 0.18 0.87 -0.75 4.36 4.63 1z7hA1 GLN 142 HB2 -0.02 -0.00 0.05 -0.04 2.15 2.13 1z7hA1 GLN 142 HB3 -0.03 0.06 -0.10 -0.04 2.02 1.91 1z7hA1 GLN 142 HG2 -0.05 0.03 -0.24 -0.04 2.40 2.09 1z7hA1 GLN 142 HG3 -0.05 -0.06 -0.13 -0.04 2.39 2.11 1z7hA1 GLN 142 HE21 -0.04 0.01 -0.05 -0.04 6.97 6.85 1z7hA1 GLN 142 HE22 -0.06 -0.01 -0.09 -0.04 7.69 7.49 1z7hA1 ASP 143 H -0.02 0.59 0.21 -0.55 8.40 8.63 1z7hA1 ASP 143 HA -0.01 0.32 1.09 -0.75 4.63 5.28 1z7hA1 ASP 143 HB2 -0.01 0.04 0.03 -0.04 2.71 2.73 1z7hA1 ASP 143 HB3 -0.01 0.01 -0.18 -0.04 2.70 2.47 1z7hA1 PRO 144 HA -0.01 0.09 0.34 -0.51 4.44 4.35 1z7hA1 PRO 144 HB2 -0.00 -0.02 0.04 -0.04 2.28 2.26 1z7hA1 PRO 144 HB3 -0.00 0.05 0.07 -0.04 2.02 2.10 1z7hA1 PRO 144 HG2 -0.00 0.04 0.09 -0.04 2.03 2.11 1z7hA1 PRO 144 HG3 -0.00 0.07 0.11 -0.04 2.03 2.17 1z7hA1 PRO 144 HD2 -0.01 0.08 0.23 -0.04 3.68 3.94 1z7hA1 PRO 144 HD3 -0.00 0.24 0.23 -0.04 3.65 4.08 1z7hA1 SER 145 H -0.01 0.05 -0.34 -0.55 8.46 7.62 1z7hA1 SER 145 HA -0.01 0.07 0.43 -0.75 4.49 4.23 1z7hA1 SER 145 HB2 -0.01 0.02 0.12 -0.04 3.95 4.04 1z7hA1 SER 145 HB3 -0.01 -0.02 0.08 -0.04 3.93 3.94 1z7hA1 GLY 146 H -0.01 1.08 -0.10 -0.55 8.43 8.85 1z7hA1 GLY 146 HA2 -0.01 -0.02 0.23 -0.51 4.01 3.69 1z7hA1 GLY 146 HA3 -0.01 0.13 0.74 -0.51 4.01 4.35 1z7hA1 ALA 147 H -0.01 0.03 -0.13 -0.55 8.40 7.75 1z7hA1 ALA 147 HA -0.02 0.17 0.80 -0.75 4.34 4.54 1z7hA1 ALA 147 HB3 -0.02 0.01 -0.01 -0.04 1.41 1.35 1z7hA1 THR 148 H -0.03 0.18 0.19 -0.55 8.28 8.06 1z7hA1 THR 148 HA -0.04 0.27 1.00 -0.75 4.39 4.86 1z7hA1 THR 148 HB -0.06 -0.03 0.13 -0.04 4.32 4.33 1z7hA1 THR 148 HG23 -0.10 0.00 -0.15 -0.04 1.22 0.93 1z7hA1 THR 149 H -0.04 0.58 0.35 -0.55 8.28 8.61 1z7hA1 THR 149 HA -0.03 0.20 0.94 -0.75 4.39 4.74 1z7hA1 THR 149 HB -0.02 0.01 0.10 -0.04 4.32 4.37 1z7hA1 THR 149 HG23 -0.02 0.00 -0.23 -0.04 1.22 0.93 1z7hA1 LYS 150 H -0.01 0.18 0.19 -0.55 8.42 8.23 1z7hA1 LYS 150 HA -0.00 0.34 1.08 -0.75 4.32 4.99 1z7hA1 LYS 150 HB2 0.03 -0.02 0.01 -0.04 1.87 1.85 1z7hA1 LYS 150 HB3 0.02 -0.03 0.15 -0.04 1.79 1.89 1z7hA1 LYS 150 HG2 0.05 0.00 -0.15 -0.04 1.46 1.32 1z7hA1 LYS 150 HG3 0.13 0.06 0.02 -0.04 1.46 1.63 1z7hA1 LYS 150 HD2 0.14 0.01 -0.05 -0.04 1.69 1.74 1z7hA1 LYS 150 HD3 0.05 -0.00 -0.03 -0.04 1.68 1.65 1z7hA1 LYS 150 HE2 0.04 -0.01 -0.04 -0.04 2.99 2.94 1z7hA1 LYS 150 HE3 0.12 -0.00 -0.07 -0.04 2.99 3.01 1z7hA1 SER 151 H 0.01 0.63 0.37 -0.55 8.46 8.92 1z7hA1 SER 151 HA -0.02 0.16 0.82 -0.75 4.49 4.70 1z7hA1 SER 151 HB2 -0.03 -0.00 0.13 -0.04 3.95 4.01 1z7hA1 SER 151 HB3 -0.02 -0.01 -0.16 -0.04 3.93 3.71 1z7hA1 ALA 152 H -0.06 0.16 0.18 -0.55 8.40 8.14 1z7hA1 ALA 152 HA -0.12 0.29 1.03 -0.75 4.34 4.79 1z7hA1 ALA 152 HB3 -0.09 -0.01 -0.05 -0.04 1.41 1.23 1z7hA1 MET 153 H -0.44 0.49 0.31 -0.55 8.47 8.29 1z7hA1 MET 153 HA -0.22 0.08 0.77 -0.75 4.52 4.40 1z7hA1 MET 153 HB2 -0.33 -0.02 -0.39 -0.04 2.15 1.36 1z7hA1 MET 153 HB3 -1.28 -0.01 -0.10 -0.04 2.03 0.59 1z7hA1 MET 153 HG2 -0.11 0.20 -0.07 -0.04 2.63 2.61 1z7hA1 MET 153 HG3 -0.06 -0.02 0.07 -0.04 2.56 2.51 1z7hA1 MET 153 HE3 0.08 -0.01 -0.12 -0.04 2.10 2.01 1z7hA1 LEU 154 H -0.12 0.12 0.17 -0.55 8.37 7.99 1z7hA1 LEU 154 HA -0.11 0.34 0.93 -0.75 4.35 4.75 1z7hA1 LEU 154 HB2 0.01 -0.07 0.11 -0.04 1.64 1.65 1z7hA1 LEU 154 HB3 0.02 0.16 0.08 -0.04 1.64 1.86 1z7hA1 LEU 154 HG -0.07 -0.14 -0.03 -0.04 1.64 1.35 1z7hA1 LEU 154 HD13 -0.01 -0.00 -0.03 -0.04 0.93 0.84 1z7hA1 LEU 154 HD23 -0.06 0.02 -0.08 -0.04 0.89 0.73 1z7hA1 THR 155 H 0.06 0.49 0.27 -0.55 8.28 8.55 1z7hA1 THR 155 HA 0.18 0.08 0.54 -0.75 4.39 4.44 1z7hA1 THR 155 HB 0.51 0.02 -0.34 -0.04 4.32 4.47 1z7hA1 THR 155 HG23 0.36 -0.00 -0.35 -0.04 1.22 1.19 1z7hA1 ASN 156 H 0.18 0.34 0.31 -0.55 8.53 8.81 1z7hA1 ASN 156 HA 0.09 0.24 1.10 -0.75 4.76 5.43 1z7hA1 ASN 156 HB2 0.07 0.13 0.21 -0.04 2.88 3.25 1z7hA1 ASN 156 HB3 0.05 0.02 0.02 -0.04 2.79 2.83 1z7hA1 ASN 156 HD21 -0.03 0.01 -0.32 -0.04 7.03 6.65 1z7hA1 ASN 156 HD22 -0.01 0.22 -0.03 -0.04 7.74 7.88 1z7hA1 LEU 157 H 0.17 0.45 0.41 -0.55 8.37 8.84 1z7hA1 LEU 157 HA 0.13 0.30 1.11 -0.75 4.35 5.13 1z7hA1 LEU 157 HB2 0.09 0.08 -0.13 -0.04 1.64 1.64 1z7hA1 LEU 157 HB3 0.10 -0.00 0.10 -0.04 1.64 1.80 1z7hA1 LEU 157 HG 0.13 -0.06 -0.44 -0.04 1.64 1.23 1z7hA1 LEU 157 HD13 0.13 0.03 -0.16 -0.04 0.93 0.89 1z7hA1 LEU 157 HD23 0.12 -0.01 -0.13 -0.04 0.89 0.83 1z7hA1 ILE 158 H 0.15 0.67 0.37 -0.55 8.25 8.90 1z7hA1 ILE 158 HA 0.10 0.19 1.05 -0.75 4.18 4.76 1z7hA1 ILE 158 HB 0.14 -0.02 0.11 -0.04 1.89 2.08 1z7hA1 ILE 158 HG12 -0.00 0.00 -0.18 -0.04 1.49 1.27 1z7hA1 ILE 158 HG13 0.13 -0.02 -0.46 -0.04 1.21 0.82 1z7hA1 ILE 158 HG23 -0.48 -0.02 -0.21 -0.04 0.93 0.17 1z7hA1 ILE 158 HD13 -0.04 -0.01 -0.15 -0.04 0.88 0.64 1z7hA1 ILE 159 H 0.03 0.74 0.36 -0.55 8.25 8.83 1z7hA1 ILE 159 HA 0.24 0.11 1.17 -0.75 4.18 4.94 1z7hA1 ILE 159 HB 0.15 -0.05 0.21 -0.04 1.89 2.16 1z7hA1 ILE 159 HG12 0.16 0.00 -0.12 -0.04 1.49 1.49 1z7hA1 ILE 159 HG13 0.14 -0.01 -0.20 -0.04 1.21 1.10 1z7hA1 ILE 159 HG23 0.30 0.01 -0.14 -0.04 0.93 1.05 1z7hA1 ILE 159 HD13 0.20 -0.01 -0.11 -0.04 0.88 0.92 1z7hA1 PHE 160 H 0.54 0.87 0.48 -0.55 8.34 9.68 1z7hA1 PHE 160 HA 0.19 0.27 1.04 -0.75 4.62 5.37 1z7hA1 PHE 160 HB2 0.42 0.06 0.18 -0.04 3.15 3.76 1z7hA1 PHE 160 HB3 0.16 0.12 0.15 -0.04 3.06 3.46 1z7hA1 PHE 160 HD2 0.16 0.10 -0.02 -0.04 7.28 7.48 1z7hA1 PHE 160 HE2 0.11 -0.01 -0.08 -0.04 7.38 7.37 1z7hA1 PHE 160 HZ 0.06 -0.08 -0.08 -0.04 7.32 7.18 1z7hA1 GLY 161 H 0.16 0.59 0.38 -0.55 8.43 9.01 1z7hA1 GLY 161 HA2 0.19 0.23 0.66 -0.51 4.01 4.58 1z7hA1 GLY 161 HA3 -0.17 -0.05 0.30 -0.51 4.01 3.58 1z7hA1 PRO 162 HA 0.12 0.01 0.31 -0.51 4.44 4.37 1z7hA1 PRO 162 HB2 -0.04 0.19 -0.17 -0.04 2.28 2.22 1z7hA1 PRO 162 HB3 0.02 0.03 -0.08 -0.04 2.02 1.94 1z7hA1 PRO 162 HG2 0.20 0.08 -0.09 -0.04 2.03 2.19 1z7hA1 PRO 162 HG3 0.05 -0.06 0.01 -0.04 2.03 1.99 1z7hA1 PRO 162 HD2 0.24 0.00 0.14 -0.04 3.68 4.01 1z7hA1 PRO 162 HD3 0.30 0.21 0.13 -0.04 3.65 4.25 1z7hA1 GLY 163 H -0.04 0.14 -0.02 -0.55 8.43 7.96 1z7hA1 GLY 163 HA2 0.09 0.20 0.64 -0.51 4.01 4.43 1z7hA1 GLY 163 HA3 -0.09 0.03 0.35 -0.51 4.01 3.79 1z7hA1 PRO 164 HA -1.00 0.03 0.30 -0.51 4.44 3.26 1z7hA1 PRO 164 HB2 -0.25 -0.08 0.03 -0.04 2.28 1.95 1z7hA1 PRO 164 HB3 -0.25 0.34 -0.09 -0.04 2.02 1.98 1z7hA1 PRO 164 HG2 -0.24 0.01 -0.03 -0.04 2.03 1.72 1z7hA1 PRO 164 HG3 -0.95 -0.01 -0.15 -0.04 2.03 0.88 1z7hA1 PRO 164 HD2 -0.24 0.07 0.13 -0.04 3.68 3.59 1z7hA1 PRO 164 HD3 -0.32 0.25 0.13 -0.04 3.65 3.66 1z7hA1 VAL 165 H -0.32 0.08 -0.20 -0.55 8.24 7.25 1z7hA1 VAL 165 HA -0.73 0.25 0.62 -0.75 4.13 3.52 1z7hA1 VAL 165 HB -0.24 0.00 0.01 -0.04 2.12 1.85 1z7hA1 VAL 165 HG13 -0.29 -0.05 -0.19 -0.04 0.97 0.40 1z7hA1 VAL 165 HG23 -0.38 0.00 -0.08 -0.04 0.95 0.45 1z7hA1 LEU 166 H -0.43 0.50 0.21 -0.55 8.37 8.11 1z7hA1 LEU 166 HA -0.23 0.09 0.26 -0.75 4.35 3.72 1z7hA1 LEU 166 HB2 -0.51 -0.04 -0.02 -0.04 1.64 1.03 1z7hA1 LEU 166 HB3 -0.64 -0.07 -0.06 -0.04 1.64 0.83 1z7hA1 LEU 166 HG -0.43 0.10 -0.06 -0.04 1.64 1.20 1z7hA1 LEU 166 HD13 -0.56 -0.03 -0.19 -0.04 0.93 0.11 1z7hA1 LEU 166 HD23 -0.25 0.03 -0.10 -0.04 0.89 0.53 1z7hA1 ASN 167 H -0.22 0.08 -0.18 -0.55 8.53 7.66 1z7hA1 ASN 167 HA -0.08 0.21 0.77 -0.75 4.76 4.91 1z7hA1 ASN 167 HB2 -0.01 0.04 0.07 -0.04 2.88 2.94 1z7hA1 ASN 167 HB3 -0.03 -0.04 -0.03 -0.04 2.79 2.65 1z7hA1 ASN 167 HD21 -0.03 0.60 0.20 -0.04 7.03 7.76 1z7hA1 ASN 167 HD22 -0.02 -0.06 0.09 -0.04 7.74 7.71 1z7hA1 LYS 168 H -0.10 0.34 -0.53 -0.55 8.42 7.58 1z7hA1 LYS 168 HA -0.04 0.14 0.67 -0.75 4.32 4.33 1z7hA1 LYS 168 HB2 -0.12 -0.05 -0.29 -0.04 1.87 1.37 1z7hA1 LYS 168 HB3 -0.11 0.06 0.04 -0.04 1.79 1.73 1z7hA1 LYS 168 HG2 -0.05 0.03 -0.04 -0.04 1.46 1.37 1z7hA1 LYS 168 HG3 -0.04 0.02 0.02 -0.04 1.46 1.42 1z7hA1 LYS 168 HD2 -0.09 -0.03 -0.04 -0.04 1.69 1.48 1z7hA1 LYS 168 HD3 -0.09 -0.04 -0.01 -0.04 1.68 1.50 1z7hA1 LYS 168 HE2 -0.03 0.00 -0.02 -0.04 2.99 2.90 1z7hA1 LYS 168 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.91 1z7hA1 ASN 169 H 0.00 0.09 0.00 -0.55 8.53 8.08 1z7hA1 ASN 169 HA 0.09 0.28 0.55 -0.75 4.76 4.92 1z7hA1 ASN 169 HB2 0.16 -0.04 0.08 -0.04 2.88 3.04 1z7hA1 ASN 169 HB3 0.33 0.03 0.08 -0.04 2.79 3.18 1z7hA1 ASN 169 HD21 -0.18 0.12 0.05 -0.04 7.03 6.99 1z7hA1 ASN 169 HD22 0.10 -0.02 0.02 -0.04 7.74 7.79 1z7hA1 GLU 170 H 0.12 0.46 0.42 -0.55 8.60 9.05 1z7hA1 GLU 170 HA 0.08 0.09 0.76 -0.75 4.29 4.46 1z7hA1 GLU 170 HB2 -0.03 0.17 -0.25 -0.04 2.09 1.94 1z7hA1 GLU 170 HB3 -0.07 -0.06 -0.01 -0.04 1.99 1.80 1z7hA1 GLU 170 HG2 -0.02 0.01 0.00 -0.04 2.34 2.29 1z7hA1 GLU 170 HG3 -0.01 0.02 0.09 -0.04 2.34 2.41 1z7hA1 VAL 171 H 0.02 0.22 0.19 -0.55 8.24 8.12 1z7hA1 VAL 171 HA 0.12 0.40 1.13 -0.75 4.13 5.02 1z7hA1 VAL 171 HB 0.08 -0.07 0.07 -0.04 2.12 2.16 1z7hA1 VAL 171 HG13 0.11 -0.00 -0.30 -0.04 0.97 0.74 1z7hA1 VAL 171 HG23 0.16 0.03 -0.18 -0.04 0.95 0.92 1z7hA1 ARG 172 H 0.14 0.67 0.36 -0.55 8.46 9.08 1z7hA1 ARG 172 HA 0.09 0.11 0.79 -0.75 4.34 4.58 1z7hA1 ARG 172 HB2 0.20 -0.01 -0.04 -0.04 1.90 2.00 1z7hA1 ARG 172 HB3 0.19 0.01 0.08 -0.04 1.80 2.04 1z7hA1 ARG 172 HG2 0.04 0.10 -0.20 -0.04 1.67 1.57 1z7hA1 ARG 172 HG3 0.04 -0.08 -0.50 -0.04 1.67 1.08 1z7hA1 ARG 172 HD2 0.14 0.00 -0.10 -0.04 3.22 3.22 1z7hA1 ARG 172 HD3 0.09 -0.02 -0.06 -0.04 3.22 3.19 1z7hA1 GLY 173 H 0.20 0.09 0.13 -0.55 8.43 8.30 1z7hA1 GLY 173 HA2 0.12 0.30 0.91 -0.51 4.01 4.83 1z7hA1 GLY 173 HA3 0.16 -0.02 0.31 -0.51 4.01 3.95 1z7hA1 ILE 174 H 0.04 0.44 0.19 -0.55 8.25 8.36 1z7hA1 ILE 174 HA -0.04 0.00 0.44 -0.75 4.18 3.83 1z7hA1 ILE 174 HB -0.05 -0.05 0.18 -0.04 1.89 1.92 1z7hA1 ILE 174 HG12 -0.05 0.26 0.11 -0.04 1.49 1.77 1z7hA1 ILE 174 HG13 -0.13 0.22 0.14 -0.04 1.21 1.39 1z7hA1 ILE 174 HG23 -0.21 -0.01 -0.33 -0.04 0.93 0.34 1z7hA1 ILE 174 HD13 -0.43 -0.04 -0.10 -0.04 0.88 0.27 1z7hA1 VAL 175 H 0.21 0.11 0.17 -0.55 8.24 8.17 1z7hA1 VAL 175 HA -0.51 0.16 0.70 -0.75 4.13 3.73 1z7hA1 VAL 175 HB -0.03 -0.03 0.06 -0.04 2.12 2.08 1z7hA1 VAL 175 HG13 -0.49 0.00 -0.10 -0.04 0.97 0.35 1z7hA1 VAL 175 HG23 -0.11 0.01 -0.01 -0.04 0.95 0.80 1z7hA1 LEU 176 H -0.22 0.61 0.38 -0.55 8.37 8.59 1z7hA1 LEU 176 HA -0.00 0.16 0.93 -0.75 4.35 4.68 1z7hA1 LEU 176 HB2 0.16 0.04 0.08 -0.04 1.64 1.88 1z7hA1 LEU 176 HB3 0.08 -0.02 -0.02 -0.04 1.64 1.64 1z7hA1 LEU 176 HG -0.03 0.10 -0.21 -0.04 1.64 1.47 1z7hA1 LEU 176 HD13 0.14 -0.01 -0.07 -0.04 0.93 0.95 1z7hA1 LEU 176 HD23 0.01 0.00 -0.07 -0.04 0.89 0.80 1z7hA1 ARG 177 H -0.00 0.18 0.12 -0.55 8.46 8.20 1z7hA1 ARG 177 HA -0.03 0.34 0.88 -0.75 4.34 4.78 1z7hA1 ARG 177 HB2 -0.01 0.02 0.02 -0.04 1.90 1.89 1z7hA1 ARG 177 HB3 -0.02 -0.02 0.17 -0.04 1.80 1.88 1z7hA1 ARG 177 HG2 -0.02 0.00 -0.05 -0.04 1.67 1.56 1z7hA1 ARG 177 HG3 -0.03 -0.13 -0.14 -0.04 1.67 1.33 1z7hA1 ARG 177 HD2 -0.02 0.15 -0.15 -0.04 3.22 3.16 1z7hA1 ARG 177 HD3 -0.02 0.01 -0.13 -0.04 3.22 3.04 1z7hA1 VAL 178 H -0.06 0.71 0.16 -0.55 8.24 8.49 1z7hA1 VAL 178 HA -0.17 0.15 0.96 -0.75 4.13 4.31 1z7hA1 VAL 178 HB -0.40 0.03 -0.02 -0.04 2.12 1.69 1z7hA1 VAL 178 HG13 -1.09 0.01 -0.16 -0.04 0.97 -0.31 1z7hA1 VAL 178 HG23 -0.25 -0.01 -0.29 -0.04 0.95 0.35 1z7hA1 ASP 179 H -0.12 0.18 0.08 -0.55 8.40 7.99 1z7hA1 ASP 179 HA -0.07 0.03 0.32 -0.75 4.63 4.16 1z7hA1 ASP 179 HB2 -0.13 -0.02 -0.09 -0.04 2.71 2.43 1z7hA1 ASP 179 HB3 -0.10 0.17 0.00 -0.04 2.70 2.73 1z7hA1 ASN 180 H -0.04 0.04 -0.17 -0.55 8.53 7.81 1z7hA1 ASN 180 HA -0.02 -0.01 0.20 -0.75 4.76 4.18 1z7hA1 ASN 180 HB2 -0.02 -0.07 -0.13 -0.04 2.88 2.63 1z7hA1 ASN 180 HB3 -0.01 0.18 0.01 -0.04 2.79 2.93 1z7hA1 ASN 180 HD21 0.00 -0.02 0.05 -0.04 7.03 7.02 1z7hA1 ASN 180 HD22 0.00 0.04 0.07 -0.04 7.74 7.81 1z7hA1 LYS 181 H -0.03 0.13 -0.53 -0.55 8.42 7.43 1z7hA1 LYS 181 HA 0.02 0.14 0.81 -0.75 4.32 4.54 1z7hA1 LYS 181 HB2 -0.01 0.22 -0.03 -0.04 1.87 2.01 1z7hA1 LYS 181 HB3 0.06 0.00 -0.01 -0.04 1.79 1.80 1z7hA1 LYS 181 HG2 0.03 -0.03 0.07 -0.04 1.46 1.49 1z7hA1 LYS 181 HG3 0.01 0.14 -0.23 -0.04 1.46 1.33 1z7hA1 LYS 181 HD2 0.03 0.01 -0.02 -0.04 1.69 1.67 1z7hA1 LYS 181 HD3 0.06 -0.02 0.01 -0.04 1.68 1.69 1z7hA1 LYS 181 HE2 0.04 -0.02 0.02 -0.04 2.99 2.99 1z7hA1 LYS 181 HE3 0.02 0.01 0.00 -0.04 2.99 2.99 1z7hA1 ASN 182 H 0.08 0.15 0.14 -0.55 8.53 8.35 1z7hA1 ASN 182 HA -0.03 0.24 0.83 -0.75 4.76 5.05 1z7hA1 ASN 182 HB2 0.18 -0.02 0.15 -0.04 2.88 3.14 1z7hA1 ASN 182 HB3 -0.04 0.01 -0.02 -0.04 2.79 2.70 1z7hA1 ASN 182 HD21 0.06 0.02 -0.03 -0.04 7.03 7.03 1z7hA1 ASN 182 HD22 0.12 -0.01 0.02 -0.04 7.74 7.83 1z7hA1 TYR 183 H -0.03 0.65 0.34 -0.55 8.29 8.70 1z7hA1 TYR 183 HA 0.16 0.16 0.92 -0.75 4.56 5.04 1z7hA1 TYR 183 HB2 0.08 0.06 -0.12 -0.04 3.06 3.03 1z7hA1 TYR 183 HB3 -0.01 -0.01 0.02 -0.04 2.98 2.94 1z7hA1 TYR 183 HD2 0.18 0.01 -0.07 -0.04 7.15 7.23 1z7hA1 TYR 183 HE2 0.13 0.02 -0.06 -0.04 6.85 6.89 1z7hA1 PHE 184 H 0.19 0.22 0.06 -0.55 8.34 8.25 1z7hA1 PHE 184 HA -0.21 0.36 1.03 -0.75 4.62 5.04 1z7hA1 PHE 184 HB2 -0.03 0.01 0.12 -0.04 3.15 3.21 1z7hA1 PHE 184 HB3 -0.04 -0.03 -0.04 -0.04 3.06 2.90 1z7hA1 PHE 184 HD2 0.04 0.01 -0.15 -0.04 7.28 7.13 1z7hA1 PHE 184 HE2 0.06 0.04 -0.09 -0.04 7.38 7.34 1z7hA1 PHE 184 HZ 0.05 0.01 -0.06 -0.04 7.32 7.27 1z7hA1 PRO 185 HA -0.05 -0.01 0.50 -0.51 4.44 4.38 1z7hA1 PRO 185 HB2 0.04 0.28 -0.00 -0.04 2.28 2.56 1z7hA1 PRO 185 HB3 0.08 0.06 0.15 -0.04 2.02 2.26 1z7hA1 PRO 185 HG2 -0.04 0.05 0.05 -0.04 2.03 2.05 1z7hA1 PRO 185 HG3 -0.18 -0.09 0.00 -0.04 2.03 1.72 1z7hA1 PRO 185 HD2 -0.12 0.32 0.26 -0.04 3.68 4.09 1z7hA1 PRO 185 HD3 -0.46 0.29 0.14 -0.04 3.65 3.58 1z7hA1 CYS 186 H 0.09 0.13 -0.37 -0.55 8.50 7.81 1z7hA1 CYS 186 HA 0.14 0.18 0.55 -0.75 4.58 4.68 1z7hA1 CYS 186 HB2 0.12 0.04 0.19 -0.04 2.97 3.28 1z7hA1 CYS 186 HB3 0.12 0.05 -0.02 -0.04 2.97 3.08 1z7hA1 ARG 187 H 0.11 0.36 -0.55 -0.55 8.46 7.83 1z7hA1 ARG 187 HA 0.08 0.26 0.76 -0.75 4.34 4.69 1z7hA1 ARG 187 HB2 0.11 0.02 0.06 -0.04 1.90 2.05 1z7hA1 ARG 187 HB3 0.06 -0.01 0.14 -0.04 1.80 1.94 1z7hA1 ARG 187 HG2 -0.02 0.25 -0.17 -0.04 1.67 1.69 1z7hA1 ARG 187 HG3 0.03 -0.16 -0.31 -0.04 1.67 1.18 1z7hA1 ARG 187 HD2 -0.16 -0.05 -0.02 -0.04 3.22 2.95 1z7hA1 ARG 187 HD3 -0.11 -0.04 -0.03 -0.04 3.22 2.99 1z7hA1 ASP 188 H 0.17 0.17 -0.02 -0.55 8.40 8.17 1z7hA1 ASP 188 HA 0.16 0.19 0.84 -0.75 4.63 5.06 1z7hA1 ASP 188 HB2 0.34 0.01 0.10 -0.04 2.71 3.12 1z7hA1 ASP 188 HB3 0.59 -0.05 0.20 -0.04 2.70 3.40 1z7hA1 GLY 189 H 0.15 0.40 -0.06 -0.55 8.43 8.38 1z7hA1 GLY 189 HA2 0.31 0.24 0.35 -0.51 4.01 4.41 1z7hA1 GLY 189 HA3 -0.04 0.04 0.53 -0.51 4.01 4.04 1z7hA1 PHE 190 H 0.10 -0.00 -0.44 -0.55 8.34 7.44 1z7hA1 PHE 190 HA 0.03 0.05 0.47 -0.75 4.62 4.42 1z7hA1 PHE 190 HB2 0.09 -0.06 0.23 -0.04 3.15 3.36 1z7hA1 PHE 190 HB3 0.12 0.16 0.16 -0.04 3.06 3.46 1z7hA1 PHE 190 HD2 -0.12 -0.01 -0.01 -0.04 7.28 7.09 1z7hA1 PHE 190 HE2 -0.24 -0.01 -0.07 -0.04 7.38 7.01 1z7hA1 PHE 190 HZ -0.15 0.02 -0.22 -0.04 7.32 6.93 1z7hA1 GLY 191 H 0.23 0.24 -0.01 -0.55 8.43 8.35 1z7hA1 GLY 191 HA2 0.14 0.08 0.35 -0.51 4.01 4.07 1z7hA1 GLY 191 HA3 0.12 0.49 0.66 -0.51 4.01 4.78 1z7hA1 SER 192 H 0.09 0.41 0.20 -0.55 8.46 8.61 1z7hA1 SER 192 HA 0.08 0.12 0.45 -0.75 4.49 4.39 1z7hA1 SER 192 HB2 0.04 0.07 0.35 -0.04 3.95 4.37 1z7hA1 SER 192 HB3 0.06 -0.01 -0.10 -0.04 3.93 3.84 1z7hA1 ILE 193 H 0.05 0.61 0.35 -0.55 8.25 8.70 1z7hA1 ILE 193 HA 0.09 0.24 0.51 -0.75 4.18 4.26 1z7hA1 ILE 193 HB 0.02 -0.08 0.05 -0.04 1.89 1.84 1z7hA1 ILE 193 HG12 0.11 0.14 -0.21 -0.04 1.49 1.48 1z7hA1 ILE 193 HG13 0.06 0.07 -0.10 -0.04 1.21 1.20 1z7hA1 ILE 193 HG23 0.09 -0.05 -0.32 -0.04 0.93 0.61 1z7hA1 ILE 193 HD13 0.10 0.00 -0.47 -0.04 0.88 0.47 1z7hA1 MET 194 H 0.10 0.66 0.48 -0.55 8.47 9.16 1z7hA1 MET 194 HA 0.11 0.09 0.98 -0.75 4.52 4.94 1z7hA1 MET 194 HB2 0.10 -0.03 0.15 -0.04 2.15 2.34 1z7hA1 MET 194 HB3 0.11 -0.07 0.02 -0.04 2.03 2.05 1z7hA1 MET 194 HG2 0.08 0.26 0.08 -0.04 2.63 3.01 1z7hA1 MET 194 HG3 0.08 0.02 0.10 -0.04 2.56 2.72 1z7hA1 MET 194 HE3 0.10 -0.01 -0.15 -0.04 2.10 2.00 1z7hA1 GLN 195 H 0.17 0.82 0.40 -0.55 8.47 9.31 1z7hA1 GLN 195 HA 0.28 0.30 1.15 -0.75 4.36 5.33 1z7hA1 GLN 195 HB2 0.29 -0.01 0.06 -0.04 2.15 2.44 1z7hA1 GLN 195 HB3 0.51 -0.00 0.03 -0.04 2.02 2.51 1z7hA1 GLN 195 HG2 0.24 0.05 -0.13 -0.04 2.40 2.52 1z7hA1 GLN 195 HG3 0.08 0.01 -0.32 -0.04 2.39 2.11 1z7hA1 GLN 195 HE21 -0.49 -0.15 -0.05 -0.04 6.97 6.24 1z7hA1 GLN 195 HE22 0.25 0.04 -0.06 -0.04 7.69 7.88 1z7hA1 MET 196 H 0.39 0.58 0.48 -0.55 8.47 9.37 1z7hA1 MET 196 HA 0.22 0.37 1.25 -0.75 4.52 5.61 1z7hA1 MET 196 HB2 0.18 -0.01 -0.14 -0.04 2.15 2.14 1z7hA1 MET 196 HB3 0.24 -0.07 0.11 -0.04 2.03 2.26 1z7hA1 MET 196 HG2 0.31 0.02 -0.39 -0.04 2.63 2.53 1z7hA1 MET 196 HG3 0.21 0.03 -0.09 -0.04 2.56 2.66 1z7hA1 MET 196 HE3 0.04 0.01 -0.21 -0.04 2.10 1.90 1z7hA1 ALA 197 H 0.16 0.59 0.33 -0.55 8.40 8.93 1z7hA1 ALA 197 HA 0.38 0.32 0.77 -0.75 4.34 5.05 1z7hA1 ALA 197 HB3 -0.09 -0.04 0.11 -0.04 1.41 1.34 1z7hA1 PHE 198 H 0.45 0.79 0.03 -0.55 8.34 9.05 1z7hA1 PHE 198 HA 0.16 0.08 0.91 -0.75 4.62 5.02 1z7hA1 PHE 198 HB2 0.19 -0.03 -0.25 -0.04 3.15 3.03 1z7hA1 PHE 198 HB3 0.27 0.06 -0.05 -0.04 3.06 3.31 1z7hA1 PHE 198 HD2 0.12 0.01 -0.16 -0.04 7.28 7.21 1z7hA1 PHE 198 HE2 0.04 -0.04 -0.25 -0.04 7.38 7.08 1z7hA1 PHE 198 HZ 0.03 0.12 -0.04 -0.04 7.32 7.38 1z7hA1 CYS 199 H -0.68 0.22 0.10 -0.55 8.50 7.60 1z7hA1 CYS 199 HA 0.26 0.16 0.85 -0.75 4.58 5.09 1z7hA1 CYS 199 HB2 0.03 0.05 0.02 -0.04 2.97 3.03 1z7hA1 CYS 199 HB3 -0.11 0.18 0.25 -0.04 2.97 3.25 1z7hA1 PRO 200 HA -0.14 0.14 0.42 -0.51 4.44 4.35 1z7hA1 PRO 200 HB2 0.05 0.03 -0.04 -0.04 2.28 2.28 1z7hA1 PRO 200 HB3 0.31 0.03 -0.02 -0.04 2.02 2.30 1z7hA1 PRO 200 HG2 0.12 0.02 0.01 -0.04 2.03 2.14 1z7hA1 PRO 200 HG3 -0.04 0.07 0.00 -0.04 2.03 2.02 1z7hA1 PRO 200 HD2 0.39 0.06 0.20 -0.04 3.68 4.29 1z7hA1 PRO 200 HD3 0.35 0.24 0.05 -0.04 3.65 4.25 1z7hA1 GLU 201 H 0.11 0.06 -0.17 -0.55 8.60 8.06 1z7hA1 GLU 201 HA -0.05 0.20 0.52 -0.75 4.29 4.20 1z7hA1 GLU 201 HB2 0.12 -0.01 0.00 -0.04 2.09 2.16 1z7hA1 GLU 201 HB3 -0.25 -0.03 -0.03 -0.04 1.99 1.63 1z7hA1 GLU 201 HG2 0.07 0.09 -0.00 -0.04 2.34 2.45 1z7hA1 GLU 201 HG3 0.26 -0.04 0.02 -0.04 2.34 2.54 1z7hA1 TYR 202 H 0.12 0.19 -0.24 -0.55 8.29 7.81 1z7hA1 TYR 202 HA -0.05 0.30 1.15 -0.75 4.56 5.20 1z7hA1 TYR 202 HB2 -0.09 0.00 -0.03 -0.04 3.06 2.89 1z7hA1 TYR 202 HB3 -0.06 0.07 -0.09 -0.04 2.98 2.86 1z7hA1 TYR 202 HD2 -0.15 0.01 -0.18 -0.04 7.15 6.79 1z7hA1 TYR 202 HE2 -0.32 -0.04 -0.11 -0.04 6.85 6.34 1z7hA1 VAL 203 H 0.01 0.57 0.29 -0.55 8.24 8.56 1z7hA1 VAL 203 HA 0.05 0.18 0.97 -0.75 4.13 4.58 1z7hA1 VAL 203 HB 0.14 -0.06 0.05 -0.04 2.12 2.21 1z7hA1 VAL 203 HG13 0.10 0.01 -0.28 -0.04 0.97 0.76 1z7hA1 VAL 203 HG23 0.11 0.05 -0.08 -0.04 0.95 0.98 1z7hA1 PRO 204 HA 0.06 0.14 0.65 -0.51 4.44 4.78 1z7hA1 PRO 204 HB2 0.06 0.09 0.05 -0.04 2.28 2.44 1z7hA1 PRO 204 HB3 0.03 0.07 0.10 -0.04 2.02 2.18 1z7hA1 PRO 204 HG2 0.07 -0.04 -0.01 -0.04 2.03 2.01 1z7hA1 PRO 204 HG3 0.00 0.04 0.04 -0.04 2.03 2.07 1z7hA1 PRO 204 HD2 0.08 0.04 0.21 -0.04 3.68 3.96 1z7hA1 PRO 204 HD3 0.03 0.18 0.16 -0.04 3.65 3.99 1z7hA1 THR 205 H 0.09 0.28 0.12 -0.55 8.28 8.22 1z7hA1 THR 205 HA 0.10 0.31 1.08 -0.75 4.39 5.13 1z7hA1 THR 205 HB -0.15 -0.10 0.04 -0.04 4.32 4.08 1z7hA1 THR 205 HG23 -0.05 -0.02 -0.10 -0.04 1.22 1.00 1z7hA1 PHE 206 H -0.30 0.53 0.37 -0.55 8.34 8.38 1z7hA1 PHE 206 HA -0.22 0.11 0.59 -0.75 4.62 4.34 1z7hA1 PHE 206 HB2 -0.01 -0.10 -0.00 -0.04 3.15 2.99 1z7hA1 PHE 206 HB3 -0.02 0.13 -0.25 -0.04 3.06 2.88 1z7hA1 PHE 206 HD2 -0.01 -0.05 -0.36 -0.04 7.28 6.82 1z7hA1 PHE 206 HE2 -0.13 0.06 -0.49 -0.04 7.38 6.78 1z7hA1 PHE 206 HZ -0.23 0.05 -0.56 -0.04 7.32 6.54 1z7hA1 ASP 207 H 0.12 0.23 0.03 -0.55 8.40 8.23 1z7hA1 ASP 207 HA -0.01 0.22 0.67 -0.75 4.63 4.75 1z7hA1 ASP 207 HB2 -0.00 0.12 -0.21 -0.04 2.71 2.58 1z7hA1 ASP 207 HB3 -0.13 -0.01 -0.33 -0.04 2.70 2.19 1z7hA1 ASN 208 H 0.15 0.19 0.07 -0.55 8.53 8.39 1z7hA1 ASN 208 HA 0.14 0.05 0.62 -0.75 4.76 4.82 1z7hA1 ASN 208 HB2 0.08 -0.01 0.15 -0.04 2.88 3.06 1z7hA1 ASN 208 HB3 0.08 0.02 0.07 -0.04 2.79 2.92 1z7hA1 ASN 208 HD21 0.56 0.13 -0.19 -0.04 7.03 7.49 1z7hA1 ASN 208 HD22 0.21 -0.04 0.00 -0.04 7.74 7.87 1z7hA1 VAL 209 H 0.09 0.08 0.03 -0.55 8.24 7.88 1z7hA1 VAL 209 HA 0.05 0.05 0.44 -0.75 4.13 3.91 1z7hA1 VAL 209 HB 0.05 0.04 0.20 -0.04 2.12 2.37 1z7hA1 VAL 209 HG13 0.03 0.00 -0.04 -0.04 0.97 0.91 1z7hA1 VAL 209 HG23 0.06 -0.01 0.07 -0.04 0.95 1.04 1z7hA1 ILE 210 H 0.06 0.49 0.38 -0.55 8.25 8.63 1z7hA1 ILE 210 HA 0.04 0.03 0.44 -0.75 4.18 3.94 1z7hA1 ILE 210 HB 0.06 0.11 -0.33 -0.04 1.89 1.69 1z7hA1 ILE 210 HG12 0.07 -0.13 -0.15 -0.04 1.49 1.23 1z7hA1 ILE 210 HG13 0.05 -0.04 0.01 -0.04 1.21 1.19 1z7hA1 ILE 210 HG23 0.09 0.04 -0.07 -0.04 0.93 0.95 1z7hA1 ILE 210 HD13 0.09 0.00 -0.03 -0.04 0.88 0.90 1z7hA1 GLU 211 H 0.04 0.15 -0.13 -0.55 8.60 8.11 1z7hA1 GLU 211 HA 0.07 0.10 0.54 -0.75 4.29 4.24 1z7hA1 GLU 211 HB2 0.01 -0.00 0.09 -0.04 2.09 2.14 1z7hA1 GLU 211 HB3 0.01 0.13 -0.08 -0.04 1.99 2.01 1z7hA1 GLU 211 HG2 0.02 -0.08 -0.14 -0.04 2.34 2.10 1z7hA1 GLU 211 HG3 0.01 0.05 0.10 -0.04 2.34 2.45 1z7hA1 ASN 212 H 0.06 0.18 0.01 -0.55 8.53 8.23 1z7hA1 ASN 212 HA 0.04 0.01 0.36 -0.75 4.76 4.41 1z7hA1 ASN 212 HB2 0.05 0.00 -0.11 -0.04 2.88 2.78 1z7hA1 ASN 212 HB3 0.03 0.23 0.19 -0.04 2.79 3.20 1z7hA1 ASN 212 HD21 0.02 -0.01 -0.09 -0.04 7.03 6.91 1z7hA1 ASN 212 HD22 0.03 0.00 -0.12 -0.04 7.74 7.61 1z7hA1 ILE 213 H 0.03 0.00 -0.02 -0.55 8.25 7.72 1z7hA1 ILE 213 HA 0.02 0.21 0.52 -0.75 4.18 4.17 1z7hA1 ILE 213 HB 0.02 -0.07 -0.02 -0.04 1.89 1.78 1z7hA1 ILE 213 HG12 0.02 -0.00 -0.03 -0.04 1.49 1.43 1z7hA1 ILE 213 HG13 0.03 0.07 -0.09 -0.04 1.21 1.18 1z7hA1 ILE 213 HG23 0.03 0.02 -0.09 -0.04 0.93 0.84 1z7hA1 ILE 213 HD13 0.04 0.04 0.03 -0.04 0.88 0.94 1z7hA1 THR 214 H 0.02 0.46 -0.34 -0.55 8.28 7.86 1z7hA1 THR 214 HA 0.01 0.02 0.38 -0.75 4.39 4.04 1z7hA1 THR 214 HB 0.01 0.06 0.03 -0.04 4.32 4.37 1z7hA1 THR 214 HG23 0.01 0.00 -0.02 -0.04 1.22 1.17 1z7hA1 SER 215 H 0.01 0.11 0.17 -0.55 8.46 8.20 1z7hA1 SER 215 HA 0.00 0.00 0.34 -0.75 4.49 4.08 1z7hA1 SER 215 HB2 0.00 -0.02 0.18 -0.04 3.95 4.07 1z7hA1 SER 215 HB3 0.00 -0.05 -0.04 -0.04 3.93 3.80 1z7hA1 LEU 216 H 0.01 0.24 -0.29 -0.55 8.37 7.79 1z7hA1 LEU 216 HA 0.01 0.12 0.78 -0.75 4.35 4.50 1z7hA1 LEU 216 HB2 0.01 0.24 -0.18 -0.04 1.64 1.67 1z7hA1 LEU 216 HB3 0.01 -0.28 0.00 -0.04 1.64 1.33 1z7hA1 LEU 216 HG 0.01 0.41 -0.49 -0.04 1.64 1.53 1z7hA1 LEU 216 HD13 0.01 -0.06 -0.09 -0.04 0.93 0.75 1z7hA1 LEU 216 HD23 0.01 0.00 0.02 -0.04 0.89 0.87 1z7hA1 THR 217 H 0.01 -0.23 0.17 -0.55 8.28 7.67 1z7hA1 THR 217 HA 0.01 0.21 0.71 -0.75 4.39 4.56 1z7hA1 THR 217 HB 0.00 -0.04 -0.04 -0.04 4.32 4.20 1z7hA1 THR 217 HG23 0.00 0.01 0.04 -0.04 1.22 1.24 1z7hA1 ILE 218 H 0.01 -0.20 0.12 -0.55 8.25 7.63 1z7hA1 ILE 218 HA 0.01 0.31 0.96 -0.75 4.18 4.71 1z7hA1 ILE 218 HB 0.00 -0.16 0.26 -0.04 1.89 1.95 1z7hA1 ILE 218 HG12 0.00 0.12 -0.11 -0.04 1.49 1.46 1z7hA1 ILE 218 HG13 0.00 -0.10 -0.13 -0.04 1.21 0.94 1z7hA1 ILE 218 HG23 -0.01 -0.02 -0.00 -0.04 0.93 0.86 1z7hA1 ILE 218 HD13 -0.00 0.02 0.01 -0.04 0.88 0.87 1z7hA1 GLY 219 H -0.00 0.08 0.16 -0.55 8.43 8.12 1z7hA1 GLY 219 HA2 -0.00 0.04 0.33 -0.51 4.01 3.87 1z7hA1 GLY 219 HA3 0.01 0.12 0.48 -0.51 4.01 4.11 1z7hA1 LYS 220 H -0.02 -0.06 0.00 -0.55 8.42 7.79 1z7hA1 LYS 220 HA -0.06 -0.02 0.28 -0.75 4.32 3.76 1z7hA1 LYS 220 HB2 -0.03 -0.03 0.11 -0.04 1.87 1.88 1z7hA1 LYS 220 HB3 -0.04 0.03 0.07 -0.04 1.79 1.81 1z7hA1 LYS 220 HG2 -0.05 0.04 -0.02 -0.04 1.46 1.39 1z7hA1 LYS 220 HG3 -0.10 -0.00 -0.09 -0.04 1.46 1.22 1z7hA1 LYS 220 HD2 -0.03 0.03 0.01 -0.04 1.69 1.65 1z7hA1 LYS 220 HD3 -0.06 0.04 -0.02 -0.04 1.68 1.60 1z7hA1 LYS 220 HE2 -0.13 -0.31 0.14 -0.04 2.99 2.64 1z7hA1 LYS 220 HE3 -0.07 0.06 0.05 -0.04 2.99 2.99 1z7hA1 SER 221 H -0.15 -0.29 0.28 -0.55 8.46 7.76 1z7hA1 SER 221 HA -0.20 0.02 0.35 -0.75 4.49 3.91 1z7hA1 SER 221 HB2 -0.03 0.34 0.22 -0.04 3.95 4.44 1z7hA1 SER 221 HB3 -0.04 0.06 -0.10 -0.04 3.93 3.82 1z7hA1 LYS 222 H -0.24 -0.23 0.22 -0.55 8.42 7.61 1z7hA1 LYS 222 HA -0.33 0.31 0.54 -0.75 4.32 4.08 1z7hA1 LYS 222 HB2 -0.22 -0.11 0.12 -0.04 1.87 1.62 1z7hA1 LYS 222 HB3 -0.28 0.07 -0.03 -0.04 1.79 1.51 1z7hA1 LYS 222 HG2 -0.29 0.06 -0.07 -0.04 1.46 1.12 1z7hA1 LYS 222 HG3 -0.16 -0.05 -0.02 -0.04 1.46 1.19 1z7hA1 LYS 222 HD2 -0.08 -0.04 -0.03 -0.04 1.69 1.50 1z7hA1 LYS 222 HD3 -0.15 0.05 -0.05 -0.04 1.68 1.49 1z7hA1 LYS 222 HE2 -0.13 0.01 -0.08 -0.04 2.99 2.74 1z7hA1 LYS 222 HE3 0.01 0.01 -0.05 -0.04 2.99 2.92 1z7hA1 TYR 223 H -0.45 0.35 0.40 -0.55 8.29 8.04 1z7hA1 TYR 223 HA -0.46 0.19 0.88 -0.75 4.56 4.43 1z7hA1 TYR 223 HB2 -1.59 -0.06 -0.01 -0.04 3.06 1.36 1z7hA1 TYR 223 HB3 -0.66 0.09 -0.09 -0.04 2.98 2.27 1z7hA1 TYR 223 HD2 -0.41 -0.01 -0.22 -0.04 7.15 6.46 1z7hA1 TYR 223 HE2 -0.09 0.01 -0.01 -0.04 6.85 6.72 1z7hA1 PHE 224 H -0.73 0.59 0.30 -0.55 8.34 7.94 1z7hA1 PHE 224 HA -0.07 0.22 1.07 -0.75 4.62 5.08 1z7hA1 PHE 224 HB2 -0.12 0.07 0.01 -0.04 3.15 3.07 1z7hA1 PHE 224 HB3 -0.32 -0.07 -0.00 -0.04 3.06 2.63 1z7hA1 PHE 224 HD2 -0.41 -0.01 -0.16 -0.04 7.28 6.66 1z7hA1 PHE 224 HE2 -1.23 -0.03 -0.20 -0.04 7.38 5.89 1z7hA1 PHE 224 HZ -0.41 0.13 0.06 -0.04 7.32 7.06 1z7hA1 GLN 225 H 0.26 0.49 0.17 -0.55 8.47 8.84 1z7hA1 GLN 225 HA 0.25 0.11 0.54 -0.75 4.36 4.50 1z7hA1 GLN 225 HB2 0.19 0.04 0.01 -0.04 2.15 2.34 1z7hA1 GLN 225 HB3 0.15 -0.01 0.01 -0.04 2.02 2.13 1z7hA1 GLN 225 HG2 0.03 -0.02 -0.06 -0.04 2.40 2.30 1z7hA1 GLN 225 HG3 0.10 0.05 -0.10 -0.04 2.39 2.40 1z7hA1 GLN 225 HE21 -0.11 0.46 0.16 -0.04 6.97 7.43 1z7hA1 GLN 225 HE22 -0.24 -0.10 -0.05 -0.04 7.69 7.26 1z7hA1 ASP 226 H 0.19 0.15 0.15 -0.55 8.40 8.34 1z7hA1 ASP 226 HA 0.55 0.23 0.66 -0.75 4.63 5.32 1z7hA1 ASP 226 HB2 0.28 0.10 0.14 -0.04 2.71 3.19 1z7hA1 ASP 226 HB3 0.14 -0.08 0.17 -0.04 2.70 2.89 1z7hA1 PRO 227 HA 0.16 0.08 0.37 -0.51 4.44 4.55 1z7hA1 PRO 227 HB2 0.10 -0.03 0.02 -0.04 2.28 2.32 1z7hA1 PRO 227 HB3 0.07 0.30 0.14 -0.04 2.02 2.49 1z7hA1 PRO 227 HG2 -0.20 -0.08 0.05 -0.04 2.03 1.76 1z7hA1 PRO 227 HG3 -0.24 0.12 0.06 -0.04 2.03 1.94 1z7hA1 PRO 227 HD2 0.24 0.03 0.25 -0.04 3.68 4.16 1z7hA1 PRO 227 HD3 0.34 0.32 0.21 -0.04 3.65 4.48 1z7hA1 ALA 228 H 0.11 0.13 -0.35 -0.55 8.40 7.74 1z7hA1 ALA 228 HA -0.03 0.10 0.42 -0.75 4.34 4.08 1z7hA1 ALA 228 HB3 0.02 0.03 -0.02 -0.04 1.41 1.40 1z7hA1 LEU 229 H 0.02 0.31 -0.23 -0.55 8.37 7.93 1z7hA1 LEU 229 HA -0.16 0.09 0.45 -0.75 4.35 3.97 1z7hA1 LEU 229 HB2 -0.07 -0.01 0.02 -0.04 1.64 1.54 1z7hA1 LEU 229 HB3 0.02 0.12 0.06 -0.04 1.64 1.80 1z7hA1 LEU 229 HG -0.00 -0.03 -0.15 -0.04 1.64 1.42 1z7hA1 LEU 229 HD13 -0.11 0.01 -0.01 -0.04 0.93 0.78 1z7hA1 LEU 229 HD23 -0.03 0.01 -0.08 -0.04 0.89 0.74 1z7hA1 LEU 230 H 0.10 0.30 -0.25 -0.55 8.37 7.98 1z7hA1 LEU 230 HA 0.10 0.06 0.46 -0.75 4.35 4.21 1z7hA1 LEU 230 HB2 0.29 0.13 0.09 -0.04 1.64 2.11 1z7hA1 LEU 230 HB3 0.21 -0.01 0.02 -0.04 1.64 1.82 1z7hA1 LEU 230 HG 0.11 0.04 -0.11 -0.04 1.64 1.64 1z7hA1 LEU 230 HD13 0.07 0.01 -0.01 -0.04 0.93 0.96 1z7hA1 LEU 230 HD23 0.02 -0.01 -0.03 -0.04 0.89 0.83 1z7hA1 LEU 231 H 0.11 0.48 -0.24 -0.55 8.37 8.17 1z7hA1 LEU 231 HA -0.32 0.02 0.34 -0.75 4.35 3.65 1z7hA1 LEU 231 HB2 -0.41 0.04 0.06 -0.04 1.64 1.28 1z7hA1 LEU 231 HB3 -0.24 0.13 0.11 -0.04 1.64 1.60 1z7hA1 LEU 231 HG -0.48 0.01 -0.25 -0.04 1.64 0.88 1z7hA1 LEU 231 HD13 -0.82 -0.02 -0.06 -0.04 0.93 -0.01 1z7hA1 LEU 231 HD23 -0.45 0.00 -0.13 -0.04 0.89 0.27 1z7hA1 MET 232 H -0.13 0.51 -0.19 -0.55 8.47 8.11 1z7hA1 MET 232 HA -0.19 0.03 0.33 -0.75 4.52 3.94 1z7hA1 MET 232 HB2 -0.17 0.02 0.08 -0.04 2.15 2.04 1z7hA1 MET 232 HB3 -0.14 -0.01 -0.06 -0.04 2.03 1.77 1z7hA1 MET 232 HG2 -0.22 -0.02 -0.02 -0.04 2.63 2.33 1z7hA1 MET 232 HG3 -0.27 0.17 0.03 -0.04 2.56 2.44 1z7hA1 MET 232 HE3 -1.08 0.01 -0.24 -0.04 2.10 0.74 1z7hA1 HIS 233 H 0.07 0.42 -0.51 -0.55 8.41 7.85 1z7hA1 HIS 233 HA -0.10 0.01 0.34 -0.75 4.63 4.13 1z7hA1 HIS 233 HB2 0.01 0.04 0.13 -0.04 3.26 3.41 1z7hA1 HIS 233 HB3 0.05 0.28 0.20 -0.04 3.20 3.68 1z7hA1 HIS 233 HD2 0.15 0.02 -0.25 -0.04 6.97 6.84 1z7hA1 HIS 233 HE1 0.14 -0.03 -0.04 -0.04 7.75 7.78 1z7hA1 GLU 234 H 0.14 0.52 -0.16 -0.55 8.60 8.55 1z7hA1 GLU 234 HA 0.19 -0.01 0.36 -0.75 4.29 4.08 1z7hA1 GLU 234 HB2 0.04 0.13 0.07 -0.04 2.09 2.29 1z7hA1 GLU 234 HB3 0.15 -0.05 -0.10 -0.04 1.99 1.95 1z7hA1 GLU 234 HG2 0.32 0.21 0.00 -0.04 2.34 2.83 1z7hA1 GLU 234 HG3 0.34 -0.04 -0.10 -0.04 2.34 2.50 1z7hA1 LEU 235 H -0.10 0.62 -0.21 -0.55 8.37 8.14 1z7hA1 LEU 235 HA -0.07 -0.01 0.32 -0.75 4.35 3.84 1z7hA1 LEU 235 HB2 -0.18 0.07 0.08 -0.04 1.64 1.57 1z7hA1 LEU 235 HB3 -0.16 -0.01 -0.06 -0.04 1.64 1.36 1z7hA1 LEU 235 HG -0.21 0.18 -0.09 -0.04 1.64 1.48 1z7hA1 LEU 235 HD13 -0.36 -0.03 -0.16 -0.04 0.93 0.34 1z7hA1 LEU 235 HD23 -0.03 -0.01 -0.10 -0.04 0.89 0.70 1z7hA1 ILE 236 H -0.23 0.48 -0.48 -0.55 8.25 7.47 1z7hA1 ILE 236 HA -0.31 0.04 0.46 -0.75 4.18 3.61 1z7hA1 ILE 236 HB -0.46 0.16 0.17 -0.04 1.89 1.71 1z7hA1 ILE 236 HG12 -0.13 -0.05 -0.09 -0.04 1.49 1.18 1z7hA1 ILE 236 HG13 -0.19 0.26 -0.01 -0.04 1.21 1.23 1z7hA1 ILE 236 HG23 -0.42 0.01 -0.02 -0.04 0.93 0.45 1z7hA1 ILE 236 HD13 -0.09 0.03 -0.34 -0.04 0.88 0.43 1z7hA1 HIS 237 H -0.33 0.36 -0.13 -0.55 8.41 7.77 1z7hA1 HIS 237 HA -0.17 0.00 0.41 -0.75 4.63 4.11 1z7hA1 HIS 237 HB2 -0.04 0.22 0.17 -0.04 3.26 3.58 1z7hA1 HIS 237 HB3 0.00 -0.07 -0.03 -0.04 3.20 3.07 1z7hA1 HIS 237 HD2 0.06 -0.02 -0.05 -0.04 6.97 6.91 1z7hA1 HIS 237 HE1 -0.01 -0.01 -0.29 -0.04 7.75 7.40 1z7hA1 VAL 238 H -0.02 0.42 -0.36 -0.55 8.24 7.72 1z7hA1 VAL 238 HA 0.07 -0.04 0.37 -0.75 4.13 3.78 1z7hA1 VAL 238 HB -0.02 0.24 0.13 -0.04 2.12 2.42 1z7hA1 VAL 238 HG13 0.04 -0.01 -0.16 -0.04 0.97 0.81 1z7hA1 VAL 238 HG23 0.07 0.02 -0.12 -0.04 0.95 0.88 1z7hA1 LEU 239 H -0.12 0.52 -0.13 -0.55 8.37 8.09 1z7hA1 LEU 239 HA 0.02 0.05 0.38 -0.75 4.35 4.05 1z7hA1 LEU 239 HB2 -0.17 -0.00 0.12 -0.04 1.64 1.56 1z7hA1 LEU 239 HB3 -0.22 0.16 0.21 -0.04 1.64 1.75 1z7hA1 LEU 239 HG 0.11 -0.01 -0.24 -0.04 1.64 1.46 1z7hA1 LEU 239 HD13 0.12 -0.01 -0.09 -0.04 0.93 0.90 1z7hA1 LEU 239 HD23 -0.10 0.00 -0.01 -0.04 0.89 0.74 1z7hA1 HIS 240 H -0.17 0.53 -0.17 -0.55 8.41 8.06 1z7hA1 HIS 240 HA 0.01 0.06 0.28 -0.75 4.63 4.22 1z7hA1 HIS 240 HB2 0.04 0.08 0.06 -0.04 3.26 3.41 1z7hA1 HIS 240 HB3 -0.02 -0.06 -0.28 -0.04 3.20 2.80 1z7hA1 HIS 240 HD2 -0.13 -0.01 -0.04 -0.04 6.97 6.74 1z7hA1 HIS 240 HE1 -0.10 -0.10 -0.04 -0.04 7.75 7.47 1z7hA1 GLY 241 H 0.13 0.46 -0.27 -0.55 8.43 8.20 1z7hA1 GLY 241 HA2 0.13 -0.00 0.55 -0.51 4.01 4.17 1z7hA1 GLY 241 HA3 0.11 0.03 0.32 -0.51 4.01 3.96 1z7hA1 LEU 242 H 0.08 0.69 0.01 -0.55 8.37 8.60 1z7hA1 LEU 242 HA 0.03 -0.04 0.51 -0.75 4.35 4.09 1z7hA1 LEU 242 HB2 -0.00 0.04 0.21 -0.04 1.64 1.85 1z7hA1 LEU 242 HB3 -0.13 0.28 0.13 -0.04 1.64 1.89 1z7hA1 LEU 242 HG 0.04 0.04 0.12 -0.04 1.64 1.79 1z7hA1 LEU 242 HD13 -0.01 -0.01 -0.03 -0.04 0.93 0.85 1z7hA1 LEU 242 HD23 0.03 0.04 0.16 -0.04 0.89 1.08 1z7hA1 TYR 243 H 0.22 0.34 -0.37 -0.55 8.29 7.93 1z7hA1 TYR 243 HA 0.03 0.19 0.49 -0.75 4.56 4.51 1z7hA1 TYR 243 HB2 0.05 0.05 0.05 -0.04 3.06 3.17 1z7hA1 TYR 243 HB3 0.14 -0.09 0.05 -0.04 2.98 3.04 1z7hA1 TYR 243 HD2 0.02 0.09 -0.01 -0.04 7.15 7.20 1z7hA1 TYR 243 HE2 -0.08 0.15 -0.02 -0.04 6.85 6.85 1z7hA1 GLY 244 H 0.16 0.55 -0.64 -0.55 8.43 7.95 1z7hA1 GLY 244 HA2 0.16 -0.07 0.23 -0.51 4.01 3.82 1z7hA1 GLY 244 HA3 0.20 -0.18 0.17 -0.51 4.01 3.69 1z7hA1 MET 245 H 0.16 0.76 -0.05 -0.55 8.47 8.80 1z7hA1 MET 245 HA 0.06 0.16 0.82 -0.75 4.52 4.80 1z7hA1 MET 245 HB2 -0.02 0.09 -0.00 -0.04 2.15 2.18 1z7hA1 MET 245 HB3 -0.18 -0.13 0.10 -0.04 2.03 1.77 1z7hA1 MET 245 HG2 0.01 -0.09 -0.08 -0.04 2.63 2.44 1z7hA1 MET 245 HG3 0.19 0.21 -0.39 -0.04 2.56 2.52 1z7hA1 MET 245 HE3 -0.75 -0.02 -0.02 -0.04 2.10 1.26 1z7hA1 GLN 246 H 0.09 0.46 -0.10 -0.55 8.47 8.37 1z7hA1 GLN 246 HA 0.07 -0.02 0.39 -0.75 4.36 4.05 1z7hA1 GLN 246 HB2 0.08 0.01 -0.01 -0.04 2.15 2.19 1z7hA1 GLN 246 HB3 0.04 -0.04 -0.13 -0.04 2.02 1.85 1z7hA1 GLN 246 HG2 -0.02 0.04 -0.35 -0.04 2.40 2.02 1z7hA1 GLN 246 HG3 0.04 0.01 -0.02 -0.04 2.39 2.38 1z7hA1 GLN 246 HE21 0.04 -0.17 0.01 -0.04 6.97 6.81 1z7hA1 GLN 246 HE22 0.03 0.09 -0.08 -0.04 7.69 7.69 1z7hA1 VAL 247 H 0.01 0.07 0.19 -0.55 8.24 7.96 1z7hA1 VAL 247 HA 0.00 0.13 0.60 -0.75 4.13 4.11 1z7hA1 VAL 247 HB 0.08 -0.22 0.18 -0.04 2.12 2.11 1z7hA1 VAL 247 HG13 0.11 0.06 -0.04 -0.04 0.97 1.06 1z7hA1 VAL 247 HG23 0.00 0.04 0.03 -0.04 0.95 0.98 1z7hA1 SER 248 H -0.01 0.16 0.15 -0.55 8.46 8.22 1z7hA1 SER 248 HA -0.08 0.06 0.42 -0.75 4.49 4.13 1z7hA1 SER 248 HB2 -0.05 0.05 0.10 -0.04 3.95 4.01 1z7hA1 SER 248 HB3 -0.00 0.02 0.06 -0.04 3.93 3.97 1z7hA1 SER 249 H -0.03 0.10 0.13 -0.55 8.46 8.12 1z7hA1 SER 249 HA 0.03 -0.05 0.38 -0.75 4.49 4.10 1z7hA1 SER 249 HB2 0.03 0.01 0.05 -0.04 3.95 4.00 1z7hA1 SER 249 HB3 0.01 0.03 0.15 -0.04 3.93 4.07 1z7hA1 HIS 250 H 0.08 0.02 0.16 -0.55 8.41 8.12 1z7hA1 HIS 250 HA 0.02 0.01 0.47 -0.75 4.63 4.37 1z7hA1 HIS 250 HB2 0.03 0.31 -0.18 -0.04 3.26 3.38 1z7hA1 HIS 250 HB3 0.04 -0.05 0.10 -0.04 3.20 3.24 1z7hA1 HIS 250 HD2 0.05 -0.05 -0.02 -0.04 6.97 6.92 1z7hA1 HIS 250 HE1 0.03 -0.01 -0.01 -0.04 7.75 7.72 1z7hA1 GLU 251 H -0.15 0.21 0.09 -0.55 8.60 8.19 1z7hA1 GLU 251 HA -0.18 -0.06 0.45 -0.75 4.29 3.74 1z7hA1 GLU 251 HB2 -0.01 -0.04 -0.05 -0.04 2.09 1.94 1z7hA1 GLU 251 HB3 -0.01 0.58 0.17 -0.04 1.99 2.69 1z7hA1 GLU 251 HG2 0.01 -0.08 -0.33 -0.04 2.34 1.90 1z7hA1 GLU 251 HG3 0.00 0.13 -0.17 -0.04 2.34 2.25 1z7hA1 ILE 252 H -0.12 0.05 0.05 -0.55 8.25 7.69 1z7hA1 ILE 252 HA -0.08 0.25 0.93 -0.75 4.18 4.53 1z7hA1 ILE 252 HB -0.07 -0.04 0.17 -0.04 1.89 1.90 1z7hA1 ILE 252 HG12 -0.15 -0.11 -0.10 -0.04 1.49 1.09 1z7hA1 ILE 252 HG13 -0.07 0.04 0.01 -0.04 1.21 1.14 1z7hA1 ILE 252 HG23 -0.06 0.03 0.09 -0.04 0.93 0.96 1z7hA1 ILE 252 HD13 -0.07 0.07 -0.08 -0.04 0.88 0.76 1z7hA1 ILE 253 H -0.06 0.14 0.04 -0.55 8.25 7.82 1z7hA1 ILE 253 HA -0.05 0.21 0.81 -0.75 4.18 4.40 1z7hA1 ILE 253 HB -0.07 -0.03 0.02 -0.04 1.89 1.77 1z7hA1 ILE 253 HG12 -0.05 -0.06 0.06 -0.04 1.49 1.39 1z7hA1 ILE 253 HG13 -0.05 0.03 0.23 -0.04 1.21 1.38 1z7hA1 ILE 253 HG23 -0.08 0.00 -0.28 -0.04 0.93 0.53 1z7hA1 ILE 253 HD13 -0.05 0.02 0.01 -0.04 0.88 0.81 1z7hA1 PRO 254 HA -0.02 0.05 0.55 -0.51 4.44 4.51 1z7hA1 PRO 254 HB2 -0.02 0.04 0.14 -0.04 2.28 2.40 1z7hA1 PRO 254 HB3 -0.01 -0.04 0.06 -0.04 2.02 1.98 1z7hA1 PRO 254 HG2 -0.02 0.27 0.20 -0.04 2.03 2.44 1z7hA1 PRO 254 HG3 -0.02 -0.12 0.10 -0.04 2.03 1.94 1z7hA1 PRO 254 HD2 -0.02 0.26 0.13 -0.04 3.68 4.01 1z7hA1 PRO 254 HD3 -0.04 -0.07 -0.15 -0.04 3.65 3.34 1z7hA1 SER 255 H -0.04 0.21 -0.10 -0.55 8.46 7.99 1z7hA1 SER 255 HA -0.05 0.17 0.56 -0.75 4.49 4.42 1z7hA1 SER 255 HB2 -0.02 0.08 -0.15 -0.04 3.95 3.82 1z7hA1 SER 255 HB3 -0.02 0.02 0.11 -0.04 3.93 3.99 1z7hA1 LYS 256 H -0.09 0.26 -0.11 -0.55 8.42 7.93 1z7hA1 LYS 256 HA -0.16 0.12 0.90 -0.75 4.32 4.42 1z7hA1 LYS 256 HB2 -0.31 0.03 0.02 -0.04 1.87 1.57 1z7hA1 LYS 256 HB3 -0.17 0.00 -0.02 -0.04 1.79 1.56 1z7hA1 LYS 256 HG2 -0.10 -0.03 0.03 -0.04 1.46 1.31 1z7hA1 LYS 256 HG3 -0.13 0.05 0.15 -0.04 1.46 1.49 1z7hA1 LYS 256 HD2 -0.20 -0.03 -0.13 -0.04 1.69 1.28 1z7hA1 LYS 256 HD3 -0.12 0.01 -0.05 -0.04 1.68 1.49 1z7hA1 LYS 256 HE2 -0.08 -0.00 -0.03 -0.04 2.99 2.84 1z7hA1 LYS 256 HE3 -0.09 0.03 -0.04 -0.04 2.99 2.85 1z7hA1 GLN 257 H -0.16 0.06 0.08 -0.55 8.47 7.90 1z7hA1 GLN 257 HA -0.19 0.14 0.43 -0.75 4.36 3.99 1z7hA1 GLN 257 HB2 -0.10 0.19 0.05 -0.04 2.15 2.24 1z7hA1 GLN 257 HB3 -0.09 -0.10 -0.24 -0.04 2.02 1.56 1z7hA1 GLN 257 HG2 -0.11 0.03 -0.46 -0.04 2.40 1.82 1z7hA1 GLN 257 HG3 -0.09 0.02 -0.02 -0.04 2.39 2.27 1z7hA1 GLN 257 HE21 -0.01 -0.01 -0.04 -0.04 6.97 6.86 1z7hA1 GLN 257 HE22 -0.03 0.01 -0.04 -0.04 7.69 7.60 1z7hA1 GLU 258 H -0.12 0.12 0.07 -0.55 8.60 8.13 1z7hA1 GLU 258 HA -0.17 0.12 0.35 -0.75 4.29 3.84 1z7hA1 GLU 258 HB2 0.02 0.03 0.12 -0.04 2.09 2.23 1z7hA1 GLU 258 HB3 -0.03 -0.00 0.10 -0.04 1.99 2.02 1z7hA1 GLU 258 HG2 -0.06 -0.03 0.06 -0.04 2.34 2.28 1z7hA1 GLU 258 HG3 -0.04 0.02 -0.24 -0.04 2.34 2.04 1z7hA1 ILE 259 H -0.27 -0.11 -0.65 -0.55 8.25 6.67 1z7hA1 ILE 259 HA -0.07 0.11 0.60 -0.75 4.18 4.06 1z7hA1 ILE 259 HB -0.07 -0.03 0.00 -0.04 1.89 1.75 1z7hA1 ILE 259 HG12 0.04 -0.05 -0.06 -0.04 1.49 1.38 1z7hA1 ILE 259 HG13 -0.01 0.02 -0.22 -0.04 1.21 0.96 1z7hA1 ILE 259 HG23 -0.25 -0.03 -0.08 -0.04 0.93 0.53 1z7hA1 ILE 259 HD13 0.08 0.00 -0.03 -0.04 0.88 0.89 1z7hA1 TYR 260 H 0.12 0.16 0.11 -0.55 8.29 8.13 1z7hA1 TYR 260 HA 0.01 0.16 0.91 -0.75 4.56 4.88 1z7hA1 TYR 260 HB2 0.03 -0.02 0.19 -0.04 3.06 3.21 1z7hA1 TYR 260 HB3 0.02 0.03 0.05 -0.04 2.98 3.04 1z7hA1 TYR 260 HD2 0.01 -0.05 -0.02 -0.04 7.15 7.04 1z7hA1 TYR 260 HE2 0.00 -0.02 -0.02 -0.04 6.85 6.78 1z7hA1 MET 261 H 0.07 0.12 -0.06 -0.55 8.47 8.05 1z7hA1 MET 261 HA 0.12 0.22 0.60 -0.75 4.52 4.71 1z7hA1 MET 261 HB2 0.09 -0.08 -0.27 -0.04 2.15 1.85 1z7hA1 MET 261 HB3 0.09 0.04 0.22 -0.04 2.03 2.35 1z7hA1 MET 261 HG2 0.12 0.12 0.18 -0.04 2.63 3.01 1z7hA1 MET 261 HG3 0.11 -0.03 0.20 -0.04 2.56 2.79 1z7hA1 MET 261 HE3 0.14 0.02 -0.01 -0.04 2.10 2.21 1z7hA1 GLN 262 H 0.09 0.11 0.16 -0.55 8.47 8.29 1z7hA1 GLN 262 HA 0.09 0.20 0.86 -0.75 4.36 4.76 1z7hA1 GLN 262 HB2 0.20 -0.02 0.03 -0.04 2.15 2.32 1z7hA1 GLN 262 HB3 0.11 0.02 -0.03 -0.04 2.02 2.08 1z7hA1 GLN 262 HG2 0.14 0.06 -0.38 -0.04 2.40 2.17 1z7hA1 GLN 262 HG3 0.16 -0.26 0.09 -0.04 2.39 2.34 1z7hA1 GLN 262 HE21 0.15 -0.04 0.02 -0.04 6.97 7.05 1z7hA1 GLN 262 HE22 0.17 0.05 0.00 -0.04 7.69 7.87 1z7hA1 HIS 263 H 0.06 0.12 -0.01 -0.55 8.41 8.04 1z7hA1 HIS 263 HA -0.03 0.17 0.40 -0.75 4.63 4.41 1z7hA1 HIS 263 HB2 -0.00 0.00 0.10 -0.04 3.26 3.32 1z7hA1 HIS 263 HB3 0.00 0.10 -0.44 -0.04 3.20 2.81 1z7hA1 HIS 263 HD2 0.14 0.05 -0.37 -0.04 6.97 6.74 1z7hA1 HIS 263 HE1 0.07 -0.05 0.05 -0.04 7.75 7.78 1z7hA1 THR 264 H 0.13 0.26 -0.01 -0.55 8.28 8.11 1z7hA1 THR 264 HA -0.96 0.01 0.43 -0.75 4.39 3.12 1z7hA1 THR 264 HB -0.16 -0.00 -0.04 -0.04 4.32 4.08 1z7hA1 THR 264 HG23 -0.29 0.02 -0.17 -0.04 1.22 0.74 1z7hA1 TYR 265 H -0.08 0.26 0.08 -0.55 8.29 7.99 1z7hA1 TYR 265 HA 0.04 0.12 0.58 -0.75 4.56 4.55 1z7hA1 TYR 265 HB2 0.27 -0.03 -0.29 -0.04 3.06 2.98 1z7hA1 TYR 265 HB3 0.32 0.01 -0.05 -0.04 2.98 3.22 1z7hA1 TYR 265 HD2 0.08 0.09 0.02 -0.04 7.15 7.30 1z7hA1 TYR 265 HE2 0.03 -0.02 0.02 -0.04 6.85 6.83 1z7hA1 PRO 266 HA 0.00 0.05 0.41 -0.51 4.44 4.40 1z7hA1 PRO 266 HB2 -0.29 -0.02 0.07 -0.04 2.28 2.01 1z7hA1 PRO 266 HB3 -0.12 0.14 0.15 -0.04 2.02 2.15 1z7hA1 PRO 266 HG2 -0.36 0.02 0.09 -0.04 2.03 1.74 1z7hA1 PRO 266 HG3 -0.19 0.05 0.06 -0.04 2.03 1.91 1z7hA1 PRO 266 HD2 -1.52 0.10 0.21 -0.04 3.68 2.43 1z7hA1 PRO 266 HD3 -0.34 0.11 0.13 -0.04 3.65 3.50 1z7hA1 ILE 267 H 0.06 0.22 0.17 -0.55 8.25 8.15 1z7hA1 ILE 267 HA 0.12 0.15 0.58 -0.75 4.18 4.28 1z7hA1 ILE 267 HB 0.18 0.18 -0.17 -0.04 1.89 2.05 1z7hA1 ILE 267 HG12 0.14 0.03 0.05 -0.04 1.49 1.67 1z7hA1 ILE 267 HG13 0.03 -0.78 0.27 -0.04 1.21 0.68 1z7hA1 ILE 267 HG23 0.02 -0.00 -0.16 -0.04 0.93 0.74 1z7hA1 ILE 267 HD13 0.20 0.04 0.09 -0.04 0.88 1.16 1z7hA1 SER 268 H 0.01 0.19 0.17 -0.55 8.46 8.28 1z7hA1 SER 268 HA 0.02 0.18 0.90 -0.75 4.49 4.84 1z7hA1 SER 268 HB2 0.02 0.06 0.07 -0.04 3.95 4.06 1z7hA1 SER 268 HB3 0.02 0.09 0.02 -0.04 3.93 4.01 1z7hA1 ALA 269 H 0.06 0.43 0.20 -0.55 8.40 8.55 1z7hA1 ALA 269 HA -0.05 0.02 0.44 -0.75 4.34 4.00 1z7hA1 ALA 269 HB3 0.12 0.07 0.17 -0.04 1.41 1.73 1z7hA1 GLU 270 H 0.09 0.13 -0.18 -0.55 8.60 8.09 1z7hA1 GLU 270 HA 0.20 0.12 0.43 -0.75 4.29 4.29 1z7hA1 GLU 270 HB2 0.07 0.13 0.19 -0.04 2.09 2.44 1z7hA1 GLU 270 HB3 0.04 -0.09 0.08 -0.04 1.99 1.97 1z7hA1 GLU 270 HG2 -0.06 0.05 0.02 -0.04 2.34 2.31 1z7hA1 GLU 270 HG3 0.26 -0.00 -0.19 -0.04 2.34 2.37 1z7hA1 GLU 271 H -0.01 0.13 -0.31 -0.55 8.60 7.87 1z7hA1 GLU 271 HA 0.05 0.11 0.45 -0.75 4.29 4.14 1z7hA1 GLU 271 HB2 -0.31 0.09 0.17 -0.04 2.09 2.00 1z7hA1 GLU 271 HB3 -1.02 0.00 0.01 -0.04 1.99 0.94 1z7hA1 GLU 271 HG2 -0.04 -0.08 0.07 -0.04 2.34 2.25 1z7hA1 GLU 271 HG3 -0.06 0.02 0.06 -0.04 2.34 2.32 1z7hA1 LEU 272 H -0.12 0.30 -0.09 -0.55 8.37 7.92 1z7hA1 LEU 272 HA -0.10 -0.04 0.39 -0.75 4.35 3.86 1z7hA1 LEU 272 HB2 -0.15 0.05 0.14 -0.04 1.64 1.64 1z7hA1 LEU 272 HB3 -0.15 0.04 -0.16 -0.04 1.64 1.34 1z7hA1 LEU 272 HG -0.03 -0.02 -0.06 -0.04 1.64 1.50 1z7hA1 LEU 272 HD13 -0.25 0.01 -0.09 -0.04 0.93 0.56 1z7hA1 LEU 272 HD23 0.00 -0.01 -0.13 -0.04 0.89 0.72 1z7hA1 PHE 273 H 0.05 0.62 -0.05 -0.55 8.34 8.41 1z7hA1 PHE 273 HA -0.05 -0.02 0.48 -0.75 4.62 4.27 1z7hA1 PHE 273 HB2 -0.09 0.03 0.20 -0.04 3.15 3.25 1z7hA1 PHE 273 HB3 -0.18 0.17 0.05 -0.04 3.06 3.07 1z7hA1 PHE 273 HD2 -0.25 0.04 -0.03 -0.04 7.28 7.00 1z7hA1 PHE 273 HE2 -0.11 -0.05 -0.03 -0.04 7.38 7.14 1z7hA1 PHE 273 HZ 0.05 -0.07 -0.00 -0.04 7.32 7.26 1z7hA1 THR 274 H 0.15 0.43 -0.11 -0.55 8.28 8.20 1z7hA1 THR 274 HA -0.01 0.16 0.40 -0.75 4.39 4.18 1z7hA1 THR 274 HB -0.16 0.01 0.20 -0.04 4.32 4.32 1z7hA1 THR 274 HG23 -0.87 -0.03 -0.04 -0.04 1.22 0.24 1z7hA1 PHE 275 H 0.13 0.55 -0.12 -0.55 8.34 8.34 1z7hA1 PHE 275 HA 0.06 -0.08 0.52 -0.75 4.62 4.36 1z7hA1 PHE 275 HB2 -0.01 0.05 0.13 -0.04 3.15 3.28 1z7hA1 PHE 275 HB3 -0.03 0.06 0.16 -0.04 3.06 3.21 1z7hA1 PHE 275 HD2 0.09 0.08 -0.02 -0.04 7.28 7.39 1z7hA1 PHE 275 HE2 0.00 0.06 -0.09 -0.04 7.38 7.31 1z7hA1 PHE 275 HZ -0.03 0.27 -0.49 -0.04 7.32 7.02 1z7hA1 GLY 276 H 0.14 0.57 -0.08 -0.55 8.43 8.51 1z7hA1 GLY 276 HA2 0.09 0.16 0.37 -0.51 4.01 4.12 1z7hA1 GLY 276 HA3 -0.03 -0.00 0.50 -0.51 4.01 3.97 1z7hA1 GLY 277 H 0.00 0.16 0.19 -0.55 8.43 8.24 1z7hA1 GLY 277 HA2 0.00 0.07 0.37 -0.51 4.01 3.95 1z7hA1 GLY 277 HA3 0.00 0.10 0.54 -0.51 4.01 4.14 1z7hA1 GLN 278 H 0.09 0.21 0.22 -0.55 8.47 8.44 1z7hA1 GLN 278 HA 0.06 0.10 0.43 -0.75 4.36 4.19 1z7hA1 GLN 278 HB2 0.07 0.03 0.16 -0.04 2.15 2.37 1z7hA1 GLN 278 HB3 0.10 0.02 0.03 -0.04 2.02 2.13 1z7hA1 GLN 278 HG2 0.06 0.04 0.01 -0.04 2.40 2.46 1z7hA1 GLN 278 HG3 0.05 -0.02 0.01 -0.04 2.39 2.39 1z7hA1 GLN 278 HE21 0.03 0.02 -0.01 -0.04 6.97 6.97 1z7hA1 GLN 278 HE22 0.04 -0.00 0.03 -0.04 7.69 7.71 1z7hA1 ASP 279 H 0.19 0.24 -0.13 -0.55 8.40 8.16 1z7hA1 ASP 279 HA 0.13 0.00 0.36 -0.75 4.63 4.37 1z7hA1 ASP 279 HB2 0.37 0.39 0.13 -0.04 2.71 3.57 1z7hA1 ASP 279 HB3 0.12 -0.01 0.00 -0.04 2.70 2.77 1z7hA1 ALA 280 H 0.09 0.34 -0.54 -0.55 8.40 7.75 1z7hA1 ALA 280 HA -0.12 0.01 0.25 -0.75 4.34 3.72 1z7hA1 ALA 280 HB3 0.11 0.05 0.02 -0.04 1.41 1.54 1z7hA1 ASN 281 H 0.04 0.39 -0.45 -0.55 8.53 7.96 1z7hA1 ASN 281 HA 0.01 0.11 0.49 -0.75 4.76 4.62 1z7hA1 ASN 281 HB2 0.03 0.21 0.12 -0.04 2.88 3.20 1z7hA1 ASN 281 HB3 0.02 -0.07 0.10 -0.04 2.79 2.80 1z7hA1 ASN 281 HD21 0.01 -0.01 -0.01 -0.04 7.03 6.97 1z7hA1 ASN 281 HD22 0.03 -0.02 0.04 -0.04 7.74 7.74 1z7hA1 LEU 282 H 0.01 0.57 -0.53 -0.55 8.37 7.87 1z7hA1 LEU 282 HA 0.00 0.03 0.50 -0.75 4.35 4.13 1z7hA1 LEU 282 HB2 0.06 0.20 0.07 -0.04 1.64 1.93 1z7hA1 LEU 282 HB3 0.05 -0.13 0.06 -0.04 1.64 1.59 1z7hA1 LEU 282 HG 0.08 0.07 0.03 -0.04 1.64 1.78 1z7hA1 LEU 282 HD13 0.27 -0.03 0.01 -0.04 0.93 1.14 1z7hA1 LEU 282 HD23 -0.00 -0.03 -0.03 -0.04 0.89 0.79 1z7hA1 ILE 283 H -0.07 0.43 -0.39 -0.55 8.25 7.68 1z7hA1 ILE 283 HA -0.04 -0.02 0.70 -0.75 4.18 4.07 1z7hA1 ILE 283 HB -0.19 0.16 0.14 -0.04 1.89 1.95 1z7hA1 ILE 283 HG12 -0.16 -0.08 0.00 -0.04 1.49 1.22 1z7hA1 ILE 283 HG13 -0.20 0.01 -0.01 -0.04 1.21 0.96 1z7hA1 ILE 283 HG23 -0.03 -0.00 -0.05 -0.04 0.93 0.81 1z7hA1 ILE 283 HD13 -0.85 0.01 0.06 -0.04 0.88 0.06 1z7hA1 SER 284 H 0.00 0.06 0.13 -0.55 8.46 8.11 1z7hA1 SER 284 HA 0.01 0.20 0.36 -0.75 4.49 4.30 1z7hA1 SER 284 HB2 0.01 0.02 0.15 -0.04 3.95 4.10 1z7hA1 SER 284 HB3 0.00 0.10 0.16 -0.04 3.93 4.15 1z7hA1 ILE 285 H 0.02 0.21 0.19 -0.55 8.25 8.12 1z7hA1 ILE 285 HA 0.05 0.16 0.42 -0.75 4.18 4.06 1z7hA1 ILE 285 HB 0.02 0.09 0.14 -0.04 1.89 2.09 1z7hA1 ILE 285 HG12 0.00 0.04 0.00 -0.04 1.49 1.49 1z7hA1 ILE 285 HG13 0.01 -0.02 -0.12 -0.04 1.21 1.04 1z7hA1 ILE 285 HG23 0.01 0.00 0.01 -0.04 0.93 0.91 1z7hA1 ILE 285 HD13 0.02 0.00 0.05 -0.04 0.88 0.91 1z7hA1 ASP 286 H 0.04 0.05 -0.22 -0.55 8.40 7.72 1z7hA1 ASP 286 HA 0.04 0.13 0.43 -0.75 4.63 4.47 1z7hA1 ASP 286 HB2 0.04 -0.07 0.07 -0.04 2.71 2.71 1z7hA1 ASP 286 HB3 0.05 0.07 -0.02 -0.04 2.70 2.76 1z7hA1 ILE 287 H 0.08 0.08 -0.23 -0.55 8.25 7.63 1z7hA1 ILE 287 HA 0.17 0.08 0.48 -0.75 4.18 4.15 1z7hA1 ILE 287 HB 0.12 0.07 0.10 -0.04 1.89 2.13 1z7hA1 ILE 287 HG12 0.43 0.06 0.01 -0.04 1.49 1.95 1z7hA1 ILE 287 HG13 0.11 -0.09 0.02 -0.04 1.21 1.21 1z7hA1 ILE 287 HG23 0.32 0.03 -0.11 -0.04 0.93 1.12 1z7hA1 ILE 287 HD13 -0.08 -0.01 0.02 -0.04 0.88 0.78 1z7hA1 LYS 288 H 0.11 0.55 -0.13 -0.55 8.42 8.39 1z7hA1 LYS 288 HA 0.27 0.06 0.38 -0.75 4.32 4.28 1z7hA1 LYS 288 HB2 0.13 0.01 0.09 -0.04 1.87 2.06 1z7hA1 LYS 288 HB3 0.25 0.00 -0.00 -0.04 1.79 2.00 1z7hA1 LYS 288 HG2 0.30 -0.01 -0.01 -0.04 1.46 1.69 1z7hA1 LYS 288 HG3 0.11 0.11 -0.13 -0.04 1.46 1.50 1z7hA1 LYS 288 HD2 0.11 -0.08 -0.09 -0.04 1.69 1.59 1z7hA1 LYS 288 HD3 0.29 -0.03 -0.04 -0.04 1.68 1.87 1z7hA1 LYS 288 HE2 0.07 -0.03 -0.01 -0.04 2.99 2.98 1z7hA1 LYS 288 HE3 -0.01 0.18 0.01 -0.04 2.99 3.13 1z7hA1 ASN 289 H 0.09 0.45 -0.38 -0.55 8.53 8.15 1z7hA1 ASN 289 HA 0.07 0.04 0.50 -0.75 4.76 4.62 1z7hA1 ASN 289 HB2 0.02 0.05 0.12 -0.04 2.88 3.04 1z7hA1 ASN 289 HB3 0.05 0.09 0.15 -0.04 2.79 3.04 1z7hA1 ASN 289 HD21 -0.00 -0.01 0.02 -0.04 7.03 6.99 1z7hA1 ASN 289 HD22 -0.06 0.01 0.03 -0.04 7.74 7.68 1z7hA1 ASP 290 H 0.08 0.38 -0.15 -0.55 8.40 8.16 1z7hA1 ASP 290 HA 0.04 0.02 0.45 -0.75 4.63 4.40 1z7hA1 ASP 290 HB2 0.03 0.07 0.22 -0.04 2.71 2.99 1z7hA1 ASP 290 HB3 -0.00 -0.02 0.03 -0.04 2.70 2.67 1z7hA1 LEU 291 H 0.08 0.58 -0.06 -0.55 8.37 8.43 1z7hA1 LEU 291 HA 0.03 0.03 0.40 -0.75 4.35 4.05 1z7hA1 LEU 291 HB2 0.20 0.08 0.14 -0.04 1.64 2.03 1z7hA1 LEU 291 HB3 0.13 0.04 0.01 -0.04 1.64 1.79 1z7hA1 LEU 291 HG 0.06 0.12 0.09 -0.04 1.64 1.87 1z7hA1 LEU 291 HD13 0.29 -0.01 -0.03 -0.04 0.93 1.14 1z7hA1 LEU 291 HD23 -0.05 -0.00 0.02 -0.04 0.89 0.81 1z7hA1 TYR 292 H 0.17 0.54 -0.19 -0.55 8.29 8.26 1z7hA1 TYR 292 HA -0.49 0.05 0.40 -0.75 4.56 3.76 1z7hA1 TYR 292 HB2 -0.27 0.05 0.13 -0.04 3.06 2.93 1z7hA1 TYR 292 HB3 -0.09 0.05 0.22 -0.04 2.98 3.11 1z7hA1 TYR 292 HD2 -0.55 0.04 -0.06 -0.04 7.15 6.54 1z7hA1 TYR 292 HE2 -0.07 -0.02 -0.05 -0.04 6.85 6.67 1z7hA1 GLU 293 H 0.13 0.67 -0.05 -0.55 8.60 8.80 1z7hA1 GLU 293 HA -0.13 -0.03 0.40 -0.75 4.29 3.77 1z7hA1 GLU 293 HB2 0.03 0.12 0.19 -0.04 2.09 2.38 1z7hA1 GLU 293 HB3 -0.00 -0.07 0.03 -0.04 1.99 1.91 1z7hA1 GLU 293 HG2 0.18 0.17 0.13 -0.04 2.34 2.77 1z7hA1 GLU 293 HG3 0.07 -0.06 0.02 -0.04 2.34 2.33 1z7hA1 LYS 294 H -0.02 0.62 -0.21 -0.55 8.42 8.26 1z7hA1 LYS 294 HA -0.03 -0.03 0.48 -0.75 4.32 3.98 1z7hA1 LYS 294 HB2 -0.01 -0.01 0.13 -0.04 1.87 1.94 1z7hA1 LYS 294 HB3 0.00 0.14 0.21 -0.04 1.79 2.10 1z7hA1 LYS 294 HG2 0.01 -0.08 0.07 -0.04 1.46 1.42 1z7hA1 LYS 294 HG3 0.01 -0.06 0.03 -0.04 1.46 1.40 1z7hA1 LYS 294 HD2 0.02 -0.01 -0.00 -0.04 1.69 1.67 1z7hA1 LYS 294 HD3 0.03 0.03 -0.43 -0.04 1.68 1.27 1z7hA1 LYS 294 HE2 0.07 0.39 0.12 -0.04 2.99 3.53 1z7hA1 LYS 294 HE3 0.06 -0.10 0.03 -0.04 2.99 2.94 1z7hA1 THR 295 H -0.04 0.64 -0.02 -0.55 8.28 8.32 1z7hA1 THR 295 HA 0.03 0.07 0.46 -0.75 4.39 4.19 1z7hA1 THR 295 HB 0.10 0.05 0.15 -0.04 4.32 4.57 1z7hA1 THR 295 HG23 -0.07 -0.00 -0.08 -0.04 1.22 1.03 1z7hA1 LEU 296 H -0.29 0.60 -0.11 -0.55 8.37 8.02 1z7hA1 LEU 296 HA -1.24 0.03 0.42 -0.75 4.35 2.81 1z7hA1 LEU 296 HB2 -0.95 0.02 0.08 -0.04 1.64 0.74 1z7hA1 LEU 296 HB3 -0.43 0.11 0.16 -0.04 1.64 1.44 1z7hA1 LEU 296 HG -0.36 -0.01 -0.21 -0.04 1.64 1.02 1z7hA1 LEU 296 HD13 -0.94 -0.02 0.01 -0.04 0.93 -0.06 1z7hA1 LEU 296 HD23 -0.19 -0.02 -0.02 -0.04 0.89 0.62 1z7hA1 ASN 297 H -0.17 0.51 -0.26 -0.55 8.53 8.07 1z7hA1 ASN 297 HA -0.12 -0.04 0.48 -0.75 4.76 4.33 1z7hA1 ASN 297 HB2 -0.08 0.22 0.23 -0.04 2.88 3.21 1z7hA1 ASN 297 HB3 -0.05 0.07 0.07 -0.04 2.79 2.84 1z7hA1 ASN 297 HD21 -0.05 -0.05 0.02 -0.04 7.03 6.91 1z7hA1 ASN 297 HD22 -0.07 0.04 0.03 -0.04 7.74 7.71 1z7hA1 ASP 298 H -0.03 0.50 -0.09 -0.55 8.40 8.23 1z7hA1 ASP 298 HA -0.05 -0.03 0.45 -0.75 4.63 4.25 1z7hA1 ASP 298 HB2 0.15 0.13 0.10 -0.04 2.71 3.06 1z7hA1 ASP 298 HB3 -0.02 0.16 -0.12 -0.04 2.70 2.68 1z7hA1 TYR 299 H 0.19 0.59 -0.17 -0.55 8.29 8.35 1z7hA1 TYR 299 HA -0.10 0.07 0.45 -0.75 4.56 4.23 1z7hA1 TYR 299 HB2 -0.12 0.08 0.17 -0.04 3.06 3.15 1z7hA1 TYR 299 HB3 0.21 -0.07 -0.00 -0.04 2.98 3.08 1z7hA1 TYR 299 HD2 0.23 -0.07 -0.00 -0.04 7.15 7.26 1z7hA1 TYR 299 HE2 0.25 0.06 0.03 -0.04 6.85 7.14 1z7hA1 LYS 300 H -0.05 0.49 -0.18 -0.55 8.42 8.12 1z7hA1 LYS 300 HA -0.13 -0.03 0.50 -0.75 4.32 3.91 1z7hA1 LYS 300 HB2 -0.10 0.14 0.19 -0.04 1.87 2.06 1z7hA1 LYS 300 HB3 -0.10 -0.08 0.05 -0.04 1.79 1.63 1z7hA1 LYS 300 HG2 -0.10 -0.13 0.07 -0.04 1.46 1.26 1z7hA1 LYS 300 HG3 -0.16 0.28 0.10 -0.04 1.46 1.64 1z7hA1 LYS 300 HD2 -0.12 0.02 -0.03 -0.04 1.69 1.53 1z7hA1 LYS 300 HD3 -0.08 -0.04 0.02 -0.04 1.68 1.53 1z7hA1 LYS 300 HE2 -0.09 -0.05 0.01 -0.04 2.99 2.83 1z7hA1 LYS 300 HE3 -0.17 0.02 -0.04 -0.04 2.99 2.76 1z7hA1 ALA 301 H -0.10 0.54 -0.18 -0.55 8.40 8.11 1z7hA1 ALA 301 HA -0.10 -0.02 0.44 -0.75 4.34 3.91 1z7hA1 ALA 301 HB3 -0.09 0.04 0.13 -0.04 1.41 1.46 1z7hA1 ILE 302 H -0.25 0.46 -0.24 -0.55 8.25 7.68 1z7hA1 ILE 302 HA -0.36 -0.00 0.46 -0.75 4.18 3.52 1z7hA1 ILE 302 HB -0.47 0.11 0.14 -0.04 1.89 1.63 1z7hA1 ILE 302 HG12 -1.27 -0.11 -0.05 -0.04 1.49 0.01 1z7hA1 ILE 302 HG13 -0.81 0.15 0.03 -0.04 1.21 0.54 1z7hA1 ILE 302 HG23 -0.85 -0.01 -0.15 -0.04 0.93 -0.12 1z7hA1 ILE 302 HD13 -1.09 -0.01 -0.25 -0.04 0.88 -0.52 1z7hA1 ALA 303 H -0.34 0.53 -0.19 -0.55 8.40 7.86 1z7hA1 ALA 303 HA -0.74 0.01 0.36 -0.75 4.34 3.21 1z7hA1 ALA 303 HB3 -1.00 0.02 -0.11 -0.04 1.41 0.29 1z7hA1 ASN 304 H -0.19 0.46 -0.26 -0.55 8.53 7.99 1z7hA1 ASN 304 HA -0.07 0.01 0.44 -0.75 4.76 4.39 1z7hA1 ASN 304 HB2 -0.09 -0.01 0.12 -0.04 2.88 2.86 1z7hA1 ASN 304 HB3 -0.08 0.14 0.13 -0.04 2.79 2.94 1z7hA1 ASN 304 HD21 -0.03 -0.06 -0.05 -0.04 7.03 6.85 1z7hA1 ASN 304 HD22 -0.04 0.03 -0.04 -0.04 7.74 7.65 1z7hA1 LYS 305 H -0.10 0.41 -0.23 -0.55 8.42 7.95 1z7hA1 LYS 305 HA 0.01 0.00 0.47 -0.75 4.32 4.04 1z7hA1 LYS 305 HB2 -0.09 0.08 0.19 -0.04 1.87 2.01 1z7hA1 LYS 305 HB3 0.08 0.01 -0.02 -0.04 1.79 1.82 1z7hA1 LYS 305 HG2 0.01 -0.10 0.04 -0.04 1.46 1.37 1z7hA1 LYS 305 HG3 -0.02 0.21 0.06 -0.04 1.46 1.68 1z7hA1 LYS 305 HD2 0.06 -0.04 -0.06 -0.04 1.69 1.60 1z7hA1 LYS 305 HD3 0.21 -0.01 -0.12 -0.04 1.68 1.72 1z7hA1 LYS 305 HE2 0.19 0.01 -0.12 -0.04 2.99 3.02 1z7hA1 LYS 305 HE3 0.08 -0.01 0.02 -0.04 2.99 3.04 1z7hA1 LEU 306 H -0.02 0.74 0.02 -0.55 8.37 8.56 1z7hA1 LEU 306 HA 0.24 -0.03 0.34 -0.75 4.35 4.15 1z7hA1 LEU 306 HB2 0.02 0.20 0.14 -0.04 1.64 1.96 1z7hA1 LEU 306 HB3 -0.14 0.02 0.01 -0.04 1.64 1.49 1z7hA1 LEU 306 HG 0.41 -0.00 -0.01 -0.04 1.64 2.00 1z7hA1 LEU 306 HD13 -0.51 0.01 -0.06 -0.04 0.93 0.32 1z7hA1 LEU 306 HD23 0.35 -0.02 0.04 -0.04 0.89 1.22 1z7hA1 SER 307 H 0.11 0.42 -0.46 -0.55 8.46 7.98 1z7hA1 SER 307 HA 0.32 0.02 0.40 -0.75 4.49 4.47 1z7hA1 SER 307 HB2 0.04 0.21 0.10 -0.04 3.95 4.26 1z7hA1 SER 307 HB3 0.04 -0.09 0.14 -0.04 3.93 3.99 1z7hA1 GLN 308 H 0.05 0.68 -0.45 -0.55 8.47 8.21 1z7hA1 GLN 308 HA 0.01 0.04 0.68 -0.75 4.36 4.34 1z7hA1 GLN 308 HB2 0.01 0.31 0.03 -0.04 2.15 2.46 1z7hA1 GLN 308 HB3 -0.01 -0.21 0.01 -0.04 2.02 1.77 1z7hA1 GLN 308 HG2 0.01 0.26 0.06 -0.04 2.40 2.69 1z7hA1 GLN 308 HG3 -0.00 -0.11 -0.01 -0.04 2.39 2.23 1z7hA1 GLN 308 HE21 -0.01 -0.10 -0.03 -0.04 6.97 6.79 1z7hA1 GLN 308 HE22 -0.01 0.05 -0.07 -0.04 7.69 7.62 1z7hA1 VAL 309 H -0.01 0.38 -0.09 -0.55 8.24 7.97 1z7hA1 VAL 309 HA -0.16 -0.04 0.26 -0.75 4.13 3.44 1z7hA1 VAL 309 HB -0.26 0.10 0.12 -0.04 2.12 2.04 1z7hA1 VAL 309 HG13 -1.17 -0.06 -0.16 -0.04 0.97 -0.46 1z7hA1 VAL 309 HG23 -0.23 0.02 -0.09 -0.04 0.95 0.62 1z7hA1 THR 310 H -0.11 0.41 0.40 -0.55 8.28 8.44 1z7hA1 THR 310 HA -0.05 0.17 0.91 -0.75 4.39 4.67 1z7hA1 THR 310 HB -0.02 -0.10 0.16 -0.04 4.32 4.31 1z7hA1 THR 310 HG23 -0.02 0.06 -0.16 -0.04 1.22 1.06 1z7hA1 SER 311 H -0.12 0.24 0.37 -0.55 8.46 8.39 1z7hA1 SER 311 HA -0.03 0.13 0.65 -0.75 4.49 4.49 1z7hA1 SER 311 HB2 -0.02 -0.03 0.15 -0.04 3.95 4.01 1z7hA1 SER 311 HB3 -0.02 0.11 -0.14 -0.04 3.93 3.83 1z7hA1 CYS 312 H -0.00 0.32 0.20 -0.55 8.50 8.47 1z7hA1 CYS 312 HA 0.03 0.24 0.82 -0.75 4.58 4.92 1z7hA1 CYS 312 HB2 0.14 0.01 -0.07 -0.04 2.97 3.01 1z7hA1 CYS 312 HB3 0.03 0.09 0.00 -0.04 2.97 3.06 1z7hA1 ASN 313 H 0.01 0.34 0.23 -0.55 8.53 8.56 1z7hA1 ASN 313 HA -0.00 0.12 0.49 -0.75 4.76 4.61 1z7hA1 ASN 313 HB2 -0.01 0.03 0.09 -0.04 2.88 2.94 1z7hA1 ASN 313 HB3 -0.00 0.04 0.14 -0.04 2.79 2.92 1z7hA1 ASN 313 HD21 -0.03 -0.09 -0.07 -0.04 7.03 6.80 1z7hA1 ASN 313 HD22 -0.02 0.09 -0.12 -0.04 7.74 7.64 1z7hA1 ASP 314 H -0.02 0.04 -0.08 -0.55 8.40 7.80 1z7hA1 ASP 314 HA -0.03 0.19 0.64 -0.75 4.63 4.69 1z7hA1 ASP 314 HB2 -0.05 -0.06 0.04 -0.04 2.71 2.60 1z7hA1 ASP 314 HB3 -0.07 0.01 0.07 -0.04 2.70 2.66 1z7hA1 PRO 315 HA -0.01 0.14 0.43 -0.51 4.44 4.49 1z7hA1 PRO 315 HB2 -0.00 0.02 0.05 -0.04 2.28 2.30 1z7hA1 PRO 315 HB3 -0.01 0.06 0.12 -0.04 2.02 2.16 1z7hA1 PRO 315 HG2 -0.01 -0.00 0.03 -0.04 2.03 2.01 1z7hA1 PRO 315 HG3 -0.01 0.05 0.09 -0.04 2.03 2.12 1z7hA1 PRO 315 HD2 -0.02 0.01 0.27 -0.04 3.68 3.90 1z7hA1 PRO 315 HD3 -0.01 0.34 0.31 -0.04 3.65 4.25 1z7hA1 ASN 316 H -0.03 0.04 -0.39 -0.55 8.53 7.62 1z7hA1 ASN 316 HA -0.00 0.15 0.53 -0.75 4.76 4.69 1z7hA1 ASN 316 HB2 -0.03 -0.01 -0.02 -0.04 2.88 2.78 1z7hA1 ASN 316 HB3 -0.01 0.03 0.12 -0.04 2.79 2.89 1z7hA1 ASN 316 HD21 -0.02 0.01 -0.00 -0.04 7.03 6.99 1z7hA1 ASN 316 HD22 -0.03 -0.01 0.00 -0.04 7.74 7.66 1z7hA1 ILE 317 H -0.04 0.35 -0.52 -0.55 8.25 7.50 1z7hA1 ILE 317 HA -0.04 0.16 0.91 -0.75 4.18 4.46 1z7hA1 ILE 317 HB -0.12 0.11 0.04 -0.04 1.89 1.88 1z7hA1 ILE 317 HG12 -0.31 0.08 -0.11 -0.04 1.49 1.11 1z7hA1 ILE 317 HG13 -0.14 -0.12 -0.28 -0.04 1.21 0.62 1z7hA1 ILE 317 HG23 -0.46 -0.02 -0.32 -0.04 0.93 0.09 1z7hA1 ILE 317 HD13 -0.37 -0.01 -0.09 -0.04 0.88 0.37 1z7hA1 ASP 318 H 0.10 0.21 0.09 -0.55 8.40 8.24 1z7hA1 ASP 318 HA 0.07 0.13 0.58 -0.75 4.63 4.65 1z7hA1 ASP 318 HB2 0.07 0.12 0.09 -0.04 2.71 2.95 1z7hA1 ASP 318 HB3 0.13 -0.02 0.20 -0.04 2.70 2.97 1z7hA1 ILE 319 H 0.09 0.28 0.15 -0.55 8.25 8.23 1z7hA1 ILE 319 HA 0.33 0.08 0.23 -0.75 4.18 4.06 1z7hA1 ILE 319 HB 0.09 -0.07 0.09 -0.04 1.89 1.96 1z7hA1 ILE 319 HG12 0.06 0.04 0.10 -0.04 1.49 1.65 1z7hA1 ILE 319 HG13 0.03 0.10 -0.10 -0.04 1.21 1.20 1z7hA1 ILE 319 HG23 0.04 0.03 -0.25 -0.04 0.93 0.71 1z7hA1 ILE 319 HD13 0.11 -0.01 -0.21 -0.04 0.88 0.73 1z7hA1 ASP 320 H 0.11 0.11 -0.08 -0.55 8.40 8.00 1z7hA1 ASP 320 HA 0.16 0.14 0.37 -0.75 4.63 4.54 1z7hA1 ASP 320 HB2 0.08 -0.05 0.04 -0.04 2.71 2.74 1z7hA1 ASP 320 HB3 0.09 0.06 -0.01 -0.04 2.70 2.80 1z7hA1 SER 321 H 0.11 0.03 -0.33 -0.55 8.46 7.73 1z7hA1 SER 321 HA 0.03 0.05 0.38 -0.75 4.49 4.20 1z7hA1 SER 321 HB2 0.06 -0.06 0.10 -0.04 3.95 4.00 1z7hA1 SER 321 HB3 0.13 0.12 0.13 -0.04 3.93 4.27 1z7hA1 TYR 322 H 0.29 0.53 -0.13 -0.55 8.29 8.44 1z7hA1 TYR 322 HA -0.30 0.04 0.48 -0.75 4.56 4.03 1z7hA1 TYR 322 HB2 -0.03 0.09 0.08 -0.04 3.06 3.16 1z7hA1 TYR 322 HB3 -0.50 0.01 -0.04 -0.04 2.98 2.41 1z7hA1 TYR 322 HD2 -0.35 0.04 -0.01 -0.04 7.15 6.79 1z7hA1 TYR 322 HE2 -0.14 0.04 -0.02 -0.04 6.85 6.68 1z7hA1 LYS 323 H 0.29 0.51 -0.13 -0.55 8.42 8.53 1z7hA1 LYS 323 HA 0.39 0.03 0.40 -0.75 4.32 4.39 1z7hA1 LYS 323 HB2 0.24 0.06 0.17 -0.04 1.87 2.30 1z7hA1 LYS 323 HB3 0.33 -0.02 -0.01 -0.04 1.79 2.05 1z7hA1 LYS 323 HG2 0.34 0.01 0.03 -0.04 1.46 1.80 1z7hA1 LYS 323 HG3 0.34 0.09 -0.03 -0.04 1.46 1.82 1z7hA1 LYS 323 HD2 0.18 -0.13 -0.08 -0.04 1.69 1.61 1z7hA1 LYS 323 HD3 0.31 0.00 -0.02 -0.04 1.68 1.93 1z7hA1 LYS 323 HE2 0.06 0.04 0.04 -0.04 2.99 3.09 1z7hA1 LYS 323 HE3 0.02 -0.12 -0.09 -0.04 2.99 2.76 1z7hA1 GLN 324 H 0.09 0.47 -0.25 -0.55 8.47 8.22 1z7hA1 GLN 324 HA 0.13 0.03 0.46 -0.75 4.36 4.23 1z7hA1 GLN 324 HB2 -0.00 0.12 0.11 -0.04 2.15 2.34 1z7hA1 GLN 324 HB3 0.04 -0.06 0.05 -0.04 2.02 2.01 1z7hA1 GLN 324 HG2 0.09 0.42 0.10 -0.04 2.40 2.96 1z7hA1 GLN 324 HG3 0.05 -0.09 -0.01 -0.04 2.39 2.30 1z7hA1 GLN 324 HE21 0.15 -0.00 -0.06 -0.04 6.97 7.02 1z7hA1 GLN 324 HE22 0.15 0.02 -0.04 -0.04 7.69 7.78 1z7hA1 ILE 325 H -0.16 0.39 -0.08 -0.55 8.25 7.84 1z7hA1 ILE 325 HA -0.16 0.01 0.46 -0.75 4.18 3.74 1z7hA1 ILE 325 HB -0.70 0.08 0.22 -0.04 1.89 1.45 1z7hA1 ILE 325 HG12 -0.26 -0.03 0.05 -0.04 1.49 1.21 1z7hA1 ILE 325 HG13 -0.28 0.15 0.11 -0.04 1.21 1.16 1z7hA1 ILE 325 HG23 -0.44 0.01 -0.04 -0.04 0.93 0.41 1z7hA1 ILE 325 HD13 -0.66 -0.03 -0.04 -0.04 0.88 0.11 1z7hA1 TYR 326 H -0.16 0.57 -0.12 -0.55 8.29 8.03 1z7hA1 TYR 326 HA 0.01 0.11 0.49 -0.75 4.56 4.42 1z7hA1 TYR 326 HB2 0.18 0.06 0.09 -0.04 3.06 3.35 1z7hA1 TYR 326 HB3 0.38 -0.03 -0.00 -0.04 2.98 3.29 1z7hA1 TYR 326 HD2 0.12 0.01 -0.08 -0.04 7.15 7.16 1z7hA1 TYR 326 HE2 -0.45 0.12 -0.17 -0.04 6.85 6.31 1z7hA1 GLN 327 H 0.13 0.44 -0.22 -0.55 8.47 8.28 1z7hA1 GLN 327 HA 0.21 -0.03 0.43 -0.75 4.36 4.22 1z7hA1 GLN 327 HB2 0.23 0.13 0.13 -0.04 2.15 2.59 1z7hA1 GLN 327 HB3 0.18 0.05 0.11 -0.04 2.02 2.32 1z7hA1 GLN 327 HG2 0.29 0.11 -0.03 -0.04 2.40 2.72 1z7hA1 GLN 327 HG3 0.55 -0.06 -0.09 -0.04 2.39 2.75 1z7hA1 GLN 327 HE21 0.16 -0.09 -0.06 -0.04 6.97 6.94 1z7hA1 GLN 327 HE22 0.20 0.15 -0.02 -0.04 7.69 7.98 1z7hA1 GLN 328 H 0.04 0.49 -0.22 -0.55 8.47 8.24 1z7hA1 GLN 328 HA 0.05 -0.01 0.45 -0.75 4.36 4.09 1z7hA1 GLN 328 HB2 0.02 -0.06 0.10 -0.04 2.15 2.17 1z7hA1 GLN 328 HB3 -0.03 0.18 0.20 -0.04 2.02 2.33 1z7hA1 GLN 328 HG2 -0.01 -0.06 -0.01 -0.04 2.40 2.28 1z7hA1 GLN 328 HG3 -0.01 0.09 -0.24 -0.04 2.39 2.19 1z7hA1 GLN 328 HE21 0.03 -0.07 0.00 -0.04 6.97 6.89 1z7hA1 GLN 328 HE22 0.02 0.05 -0.04 -0.04 7.69 7.68 1z7hA1 LYS 329 H -0.05 0.59 0.02 -0.55 8.42 8.43 1z7hA1 LYS 329 HA -0.06 0.01 0.39 -0.75 4.32 3.91 1z7hA1 LYS 329 HB2 -0.18 0.06 0.15 -0.04 1.87 1.86 1z7hA1 LYS 329 HB3 -0.21 -0.06 0.20 -0.04 1.79 1.67 1z7hA1 LYS 329 HG2 -0.85 -0.02 -0.33 -0.04 1.46 0.22 1z7hA1 LYS 329 HG3 -0.53 -0.05 -0.01 -0.04 1.46 0.83 1z7hA1 LYS 329 HD2 -0.24 0.03 -0.07 -0.04 1.69 1.37 1z7hA1 LYS 329 HD3 -0.47 -0.10 -0.05 -0.04 1.68 1.02 1z7hA1 LYS 329 HE2 -0.86 -0.09 -0.09 -0.04 2.99 1.90 1z7hA1 LYS 329 HE3 -0.73 -0.08 -0.23 -0.04 2.99 1.91 1z7hA1 TYR 330 H -0.15 0.65 -0.10 -0.55 8.29 8.13 1z7hA1 TYR 330 HA -0.10 0.14 0.60 -0.75 4.56 4.44 1z7hA1 TYR 330 HB2 -1.40 0.07 0.04 -0.04 3.06 1.73 1z7hA1 TYR 330 HB3 -1.54 -0.12 0.07 -0.04 2.98 1.35 1z7hA1 TYR 330 HD2 -0.78 0.01 0.03 -0.04 7.15 6.37 1z7hA1 TYR 330 HE2 -0.30 0.10 0.02 -0.04 6.85 6.62 1z7hA1 GLN 331 H -0.03 0.26 -0.63 -0.55 8.47 7.53 1z7hA1 GLN 331 HA 0.08 0.06 0.34 -0.75 4.36 4.09 1z7hA1 GLN 331 HB2 0.14 0.12 -0.32 -0.04 2.15 2.06 1z7hA1 GLN 331 HB3 0.13 -0.22 0.15 -0.04 2.02 2.04 1z7hA1 GLN 331 HG2 0.06 0.28 -0.12 -0.04 2.40 2.58 1z7hA1 GLN 331 HG3 0.06 -0.08 -0.04 -0.04 2.39 2.29 1z7hA1 GLN 331 HE21 0.05 -0.17 0.05 -0.04 6.97 6.86 1z7hA1 GLN 331 HE22 0.05 0.62 0.17 -0.04 7.69 8.48 1z7hA1 PHE 332 H 0.10 0.36 -0.04 -0.55 8.34 8.21 1z7hA1 PHE 332 HA 0.17 0.03 0.65 -0.75 4.62 4.71 1z7hA1 PHE 332 HB2 0.19 -0.04 0.06 -0.04 3.15 3.32 1z7hA1 PHE 332 HB3 0.24 0.01 0.06 -0.04 3.06 3.34 1z7hA1 PHE 332 HD2 0.03 -0.03 -0.15 -0.04 7.28 7.08 1z7hA1 PHE 332 HE2 -0.12 -0.04 -0.18 -0.04 7.38 7.00 1z7hA1 PHE 332 HZ -0.50 0.02 -0.02 -0.04 7.32 6.78 1z7hA1 ASP 333 H 0.27 0.53 0.34 -0.55 8.40 8.98 1z7hA1 ASP 333 HA 0.18 0.21 0.84 -0.75 4.63 5.10 1z7hA1 ASP 333 HB2 0.12 -0.03 -0.03 -0.04 2.71 2.72 1z7hA1 ASP 333 HB3 0.09 -0.05 0.04 -0.04 2.70 2.73 1z7hA1 LYS 334 H 0.07 0.18 0.11 -0.55 8.42 8.22 1z7hA1 LYS 334 HA -0.05 0.36 0.95 -0.75 4.32 4.82 1z7hA1 LYS 334 HB2 0.00 -0.08 0.08 -0.04 1.87 1.83 1z7hA1 LYS 334 HB3 -0.08 0.07 -0.08 -0.04 1.79 1.66 1z7hA1 LYS 334 HG2 -0.43 0.12 -0.24 -0.04 1.46 0.88 1z7hA1 LYS 334 HG3 -0.01 -0.02 -0.33 -0.04 1.46 1.07 1z7hA1 LYS 334 HD2 -0.00 -0.06 -0.07 -0.04 1.69 1.52 1z7hA1 LYS 334 HD3 -0.11 -0.00 -0.07 -0.04 1.68 1.45 1z7hA1 LYS 334 HE2 -0.44 0.11 -0.09 -0.04 2.99 2.53 1z7hA1 LYS 334 HE3 0.06 0.00 -0.11 -0.04 2.99 2.90 1z7hA1 ASP 335 H -0.04 0.46 0.10 -0.55 8.40 8.37 1z7hA1 ASP 335 HA -0.00 0.11 0.47 -0.75 4.63 4.45 1z7hA1 ASP 335 HB2 -0.01 -0.07 0.16 -0.04 2.71 2.75 1z7hA1 ASP 335 HB3 -0.02 0.09 0.05 -0.04 2.70 2.78 1z7hA1 SER 336 H -0.01 0.13 0.16 -0.55 8.46 8.20 1z7hA1 SER 336 HA -0.01 0.16 0.42 -0.75 4.49 4.31 1z7hA1 SER 336 HB2 -0.01 0.05 0.07 -0.04 3.95 4.02 1z7hA1 SER 336 HB3 -0.01 0.02 0.13 -0.04 3.93 4.03 1z7hA1 ASN 337 H -0.03 -0.01 -0.24 -0.55 8.53 7.70 1z7hA1 ASN 337 HA -0.02 0.15 0.45 -0.75 4.76 4.58 1z7hA1 ASN 337 HB2 -0.03 -0.08 0.00 -0.04 2.88 2.73 1z7hA1 ASN 337 HB3 -0.03 0.08 0.08 -0.04 2.79 2.89 1z7hA1 ASN 337 HD21 -0.02 0.01 0.00 -0.04 7.03 6.99 1z7hA1 ASN 337 HD22 -0.02 0.01 0.00 -0.04 7.74 7.69 1z7hA1 GLY 338 H -0.06 0.38 -0.61 -0.55 8.43 7.60 1z7hA1 GLY 338 HA2 -0.11 0.06 0.20 -0.51 4.01 3.65 1z7hA1 GLY 338 HA3 -0.08 0.14 0.52 -0.51 4.01 4.08 1z7hA1 GLN 339 H -0.08 -0.15 -0.38 -0.55 8.47 7.31 1z7hA1 GLN 339 HA -0.11 0.20 0.54 -0.75 4.36 4.24 1z7hA1 GLN 339 HB2 -0.05 0.04 -0.03 -0.04 2.15 2.08 1z7hA1 GLN 339 HB3 -0.05 -0.19 -0.03 -0.04 2.02 1.71 1z7hA1 GLN 339 HG2 -0.04 -0.10 -0.11 -0.04 2.40 2.10 1z7hA1 GLN 339 HG3 -0.04 0.28 -0.13 -0.04 2.39 2.46 1z7hA1 GLN 339 HE21 -0.03 0.03 0.03 -0.04 6.97 6.95 1z7hA1 GLN 339 HE22 -0.05 -0.02 0.00 -0.04 7.69 7.59 1z7hA1 TYR 340 H 0.02 0.19 0.17 -0.55 8.29 8.13 1z7hA1 TYR 340 HA -0.02 0.26 0.75 -0.75 4.56 4.79 1z7hA1 TYR 340 HB2 -0.17 0.15 0.19 -0.04 3.06 3.19 1z7hA1 TYR 340 HB3 -0.29 -0.02 0.02 -0.04 2.98 2.65 1z7hA1 TYR 340 HD2 0.11 0.02 -0.11 -0.04 7.15 7.12 1z7hA1 TYR 340 HE2 0.14 0.02 -0.12 -0.04 6.85 6.85 1z7hA1 ILE 341 H 0.06 0.66 0.29 -0.55 8.25 8.72 1z7hA1 ILE 341 HA -0.13 0.20 0.83 -0.75 4.18 4.33 1z7hA1 ILE 341 HB -0.01 0.01 -0.02 -0.04 1.89 1.84 1z7hA1 ILE 341 HG12 0.03 0.07 -0.27 -0.04 1.49 1.28 1z7hA1 ILE 341 HG13 0.06 -0.07 -0.37 -0.04 1.21 0.80 1z7hA1 ILE 341 HG23 -0.04 0.00 -0.29 -0.04 0.93 0.56 1z7hA1 ILE 341 HD13 0.02 -0.02 -0.17 -0.04 0.88 0.67 1z7hA1 VAL 342 H -0.04 0.14 0.12 -0.55 8.24 7.92 1z7hA1 VAL 342 HA 0.31 0.22 0.68 -0.75 4.13 4.59 1z7hA1 VAL 342 HB -0.02 -0.06 0.12 -0.04 2.12 2.12 1z7hA1 VAL 342 HG13 0.00 -0.01 -0.28 -0.04 0.97 0.65 1z7hA1 VAL 342 HG23 0.16 0.05 -0.15 -0.04 0.95 0.96 1z7hA1 ASN 343 H 0.23 0.40 0.21 -0.55 8.53 8.83 1z7hA1 ASN 343 HA 0.10 0.10 0.77 -0.75 4.76 4.98 1z7hA1 ASN 343 HB2 0.12 0.07 0.07 -0.04 2.88 3.10 1z7hA1 ASN 343 HB3 0.16 0.16 0.23 -0.04 2.79 3.29 1z7hA1 ASN 343 HD21 0.07 -0.00 0.01 -0.04 7.03 7.07 1z7hA1 ASN 343 HD22 0.08 0.07 0.01 -0.04 7.74 7.86 1z7hA1 GLU 344 H 0.08 0.22 0.10 -0.55 8.60 8.46 1z7hA1 GLU 344 HA 0.17 0.11 0.31 -0.75 4.29 4.12 1z7hA1 GLU 344 HB2 0.07 0.08 0.11 -0.04 2.09 2.30 1z7hA1 GLU 344 HB3 0.08 -0.05 0.15 -0.04 1.99 2.13 1z7hA1 GLU 344 HG2 0.11 -0.00 -0.27 -0.04 2.34 2.14 1z7hA1 GLU 344 HG3 0.17 0.02 -0.01 -0.04 2.34 2.48 1z7hA1 ASP 345 H 0.10 0.10 -0.09 -0.55 8.40 7.96 1z7hA1 ASP 345 HA 0.10 0.09 0.46 -0.75 4.63 4.52 1z7hA1 ASP 345 HB2 0.07 -0.03 0.10 -0.04 2.71 2.81 1z7hA1 ASP 345 HB3 0.06 0.07 -0.02 -0.04 2.70 2.77 1z7hA1 LYS 346 H 0.13 0.07 -0.18 -0.55 8.42 7.88 1z7hA1 LYS 346 HA 0.09 0.03 0.40 -0.75 4.32 4.08 1z7hA1 LYS 346 HB2 0.16 0.06 0.19 -0.04 1.87 2.24 1z7hA1 LYS 346 HB3 0.13 0.17 0.10 -0.04 1.79 2.15 1z7hA1 LYS 346 HG2 0.08 0.01 0.03 -0.04 1.46 1.55 1z7hA1 LYS 346 HG3 0.09 -0.17 0.03 -0.04 1.46 1.37 1z7hA1 LYS 346 HD2 0.09 -0.06 -0.01 -0.04 1.69 1.66 1z7hA1 LYS 346 HD3 0.12 -0.04 0.01 -0.04 1.68 1.73 1z7hA1 LYS 346 HE2 0.13 0.28 -0.02 -0.04 2.99 3.35 1z7hA1 LYS 346 HE3 0.09 -0.04 -0.00 -0.04 2.99 2.99 1z7hA1 PHE 347 H 0.29 0.41 -0.21 -0.55 8.34 8.27 1z7hA1 PHE 347 HA 0.11 0.17 0.45 -0.75 4.62 4.59 1z7hA1 PHE 347 HB2 0.12 0.02 0.03 -0.04 3.15 3.27 1z7hA1 PHE 347 HB3 0.07 0.02 0.11 -0.04 3.06 3.23 1z7hA1 PHE 347 HD2 0.02 0.05 -0.06 -0.04 7.28 7.25 1z7hA1 PHE 347 HE2 -1.22 0.05 -0.08 -0.04 7.38 6.09 1z7hA1 PHE 347 HZ -0.52 -0.01 -0.20 -0.04 7.32 6.55 1z7hA1 GLN 348 H 0.21 0.54 -0.03 -0.55 8.47 8.64 1z7hA1 GLN 348 HA 0.07 0.01 0.42 -0.75 4.36 4.11 1z7hA1 GLN 348 HB2 0.19 0.02 0.14 -0.04 2.15 2.47 1z7hA1 GLN 348 HB3 0.09 0.09 0.18 -0.04 2.02 2.34 1z7hA1 GLN 348 HG2 0.02 -0.04 -0.01 -0.04 2.40 2.33 1z7hA1 GLN 348 HG3 0.04 -0.00 -0.15 -0.04 2.39 2.24 1z7hA1 GLN 348 HE21 0.01 0.01 -0.01 -0.04 6.97 6.94 1z7hA1 GLN 348 HE22 0.10 -0.03 0.04 -0.04 7.69 7.76 1z7hA1 ILE 349 H 0.04 0.52 -0.15 -0.55 8.25 8.11 1z7hA1 ILE 349 HA 0.00 -0.02 0.41 -0.75 4.18 3.82 1z7hA1 ILE 349 HB 0.03 0.15 0.13 -0.04 1.89 2.15 1z7hA1 ILE 349 HG12 0.01 -0.05 0.02 -0.04 1.49 1.43 1z7hA1 ILE 349 HG13 0.03 0.08 0.07 -0.04 1.21 1.35 1z7hA1 ILE 349 HG23 -0.00 -0.01 -0.10 -0.04 0.93 0.78 1z7hA1 ILE 349 HD13 0.03 -0.03 -0.06 -0.04 0.88 0.78 1z7hA1 LEU 350 H -0.04 0.48 -0.20 -0.55 8.37 8.06 1z7hA1 LEU 350 HA -0.09 0.02 0.45 -0.75 4.35 3.98 1z7hA1 LEU 350 HB2 0.00 0.05 0.11 -0.04 1.64 1.76 1z7hA1 LEU 350 HB3 -0.10 0.05 0.21 -0.04 1.64 1.76 1z7hA1 LEU 350 HG -0.20 -0.07 -0.23 -0.04 1.64 1.11 1z7hA1 LEU 350 HD13 -0.18 -0.01 0.04 -0.04 0.93 0.73 1z7hA1 LEU 350 HD23 0.24 0.02 -0.06 -0.04 0.89 1.05 1z7hA1 TYR 351 H -0.26 0.77 -0.02 -0.55 8.29 8.23 1z7hA1 TYR 351 HA -0.40 0.06 0.38 -0.75 4.56 3.85 1z7hA1 TYR 351 HB2 -1.04 0.10 0.11 -0.04 3.06 2.19 1z7hA1 TYR 351 HB3 -0.26 0.03 0.14 -0.04 2.98 2.85 1z7hA1 TYR 351 HD2 -0.25 0.03 -0.12 -0.04 7.15 6.77 1z7hA1 TYR 351 HE2 -0.07 0.01 -0.04 -0.04 6.85 6.71 1z7hA1 ASN 352 H 0.03 0.59 -0.21 -0.55 8.53 8.39 1z7hA1 ASN 352 HA 0.25 -0.02 0.46 -0.75 4.76 4.69 1z7hA1 ASN 352 HB2 0.03 0.15 0.16 -0.04 2.88 3.17 1z7hA1 ASN 352 HB3 0.06 -0.07 -0.04 -0.04 2.79 2.70 1z7hA1 ASN 352 HD21 -0.00 -0.08 -0.04 -0.04 7.03 6.86 1z7hA1 ASN 352 HD22 0.00 -0.01 -0.04 -0.04 7.74 7.64 1z7hA1 SER 353 H -0.08 0.54 -0.18 -0.55 8.46 8.20 1z7hA1 SER 353 HA -0.08 -0.06 0.47 -0.75 4.49 4.07 1z7hA1 SER 353 HB2 -0.06 -0.06 0.08 -0.04 3.95 3.87 1z7hA1 SER 353 HB3 -0.06 0.03 0.15 -0.04 3.93 4.00 1z7hA1 ILE 354 H -0.25 0.43 -0.29 -0.55 8.25 7.60 1z7hA1 ILE 354 HA -0.08 0.08 0.46 -0.75 4.18 3.90 1z7hA1 ILE 354 HB -0.48 0.03 0.09 -0.04 1.89 1.50 1z7hA1 ILE 354 HG12 -0.46 0.39 0.05 -0.04 1.49 1.43 1z7hA1 ILE 354 HG13 -0.71 -0.00 -0.05 -0.04 1.21 0.41 1z7hA1 ILE 354 HG23 -0.11 -0.01 -0.14 -0.04 0.93 0.62 1z7hA1 ILE 354 HD13 -0.75 -0.01 -0.12 -0.04 0.88 -0.04 1z7hA1 MET 355 H -0.44 0.45 -0.01 -0.55 8.47 7.92 1z7hA1 MET 355 HA -0.57 0.16 0.75 -0.75 4.52 4.11 1z7hA1 MET 355 HB2 -0.91 0.01 0.08 -0.04 2.15 1.29 1z7hA1 MET 355 HB3 -1.46 -0.10 0.06 -0.04 2.03 0.49 1z7hA1 MET 355 HG2 -1.36 0.17 0.06 -0.04 2.63 1.47 1z7hA1 MET 355 HG3 -1.24 -0.10 -0.00 -0.04 2.56 1.18 1z7hA1 MET 355 HE3 -1.35 -0.03 0.03 -0.04 2.10 0.70 1z7hA1 TYR 356 H -0.09 0.48 -0.00 -0.55 8.29 8.12 1z7hA1 TYR 356 HA 0.02 0.22 0.96 -0.75 4.56 5.01 1z7hA1 TYR 356 HB2 -0.05 0.14 0.05 -0.04 3.06 3.16 1z7hA1 TYR 356 HB3 -0.02 -0.10 0.02 -0.04 2.98 2.85 1z7hA1 TYR 356 HD2 0.04 0.01 0.04 -0.04 7.15 7.19 1z7hA1 TYR 356 HE2 0.17 -0.03 -0.06 -0.04 6.85 6.89 1z7hA1 GLY 357 H -0.04 0.26 0.02 -0.55 8.43 8.13 1z7hA1 GLY 357 HA2 -0.20 -0.06 0.39 -0.51 4.01 3.64 1z7hA1 GLY 357 HA3 -0.31 0.12 0.39 -0.51 4.01 3.70 1z7hA1 PHE 358 H 0.04 0.27 -0.33 -0.55 8.34 7.78 1z7hA1 PHE 358 HA -0.03 0.07 0.88 -0.75 4.62 4.79 1z7hA1 PHE 358 HB2 -0.09 0.07 0.08 -0.04 3.15 3.17 1z7hA1 PHE 358 HB3 -0.08 -0.04 -0.05 -0.04 3.06 2.85 1z7hA1 PHE 358 HD2 -0.04 0.04 -0.03 -0.04 7.28 7.22 1z7hA1 PHE 358 HE2 -0.02 0.02 -0.07 -0.04 7.38 7.26 1z7hA1 PHE 358 HZ -0.01 -0.02 -0.19 -0.04 7.32 7.05 1z7hA1 THR 359 H 0.03 0.12 0.10 -0.55 8.28 7.98 1z7hA1 THR 359 HA -0.03 0.47 0.85 -0.75 4.39 4.93 1z7hA1 THR 359 HB -0.07 0.13 -0.22 -0.04 4.32 4.12 1z7hA1 THR 359 HG23 0.04 0.07 -0.25 -0.04 1.22 1.04 1z7hA1 GLU 360 H -0.09 0.63 0.32 -0.55 8.60 8.91 1z7hA1 GLU 360 HA -0.04 0.03 0.39 -0.75 4.29 3.92 1z7hA1 GLU 360 HB2 0.17 0.08 0.13 -0.04 2.09 2.43 1z7hA1 GLU 360 HB3 -0.22 0.03 0.19 -0.04 1.99 1.96 1z7hA1 GLU 360 HG2 -0.05 -0.05 -0.15 -0.04 2.34 2.06 1z7hA1 GLU 360 HG3 0.07 0.04 0.01 -0.04 2.34 2.41 1z7hA1 VAL 361 H -0.38 0.57 0.05 -0.55 8.24 7.93 1z7hA1 VAL 361 HA -0.24 0.06 0.37 -0.75 4.13 3.57 1z7hA1 VAL 361 HB -0.26 -0.01 0.09 -0.04 2.12 1.91 1z7hA1 VAL 361 HG13 -0.10 -0.02 -0.14 -0.04 0.97 0.67 1z7hA1 VAL 361 HG23 -0.72 0.03 -0.06 -0.04 0.95 0.16 1z7hA1 GLU 362 H -0.08 0.14 -0.23 -0.55 8.60 7.89 1z7hA1 GLU 362 HA -0.02 0.06 0.50 -0.75 4.29 4.07 1z7hA1 GLU 362 HB2 -0.03 0.03 0.10 -0.04 2.09 2.15 1z7hA1 GLU 362 HB3 -0.02 0.04 0.02 -0.04 1.99 1.99 1z7hA1 GLU 362 HG2 -0.04 -0.11 0.03 -0.04 2.34 2.18 1z7hA1 GLU 362 HG3 -0.03 0.13 0.02 -0.04 2.34 2.42 1z7hA1 LEU 363 H -0.00 0.64 -0.08 -0.55 8.37 8.38 1z7hA1 LEU 363 HA 0.18 0.01 0.44 -0.75 4.35 4.23 1z7hA1 LEU 363 HB2 -0.02 0.11 0.10 -0.04 1.64 1.79 1z7hA1 LEU 363 HB3 -0.04 -0.06 -0.04 -0.04 1.64 1.46 1z7hA1 LEU 363 HG 0.10 -0.00 0.05 -0.04 1.64 1.75 1z7hA1 LEU 363 HD13 0.02 -0.00 -0.16 -0.04 0.93 0.75 1z7hA1 LEU 363 HD23 0.28 -0.00 -0.08 -0.04 0.89 1.04 1z7hA1 GLY 364 H -0.02 0.61 -0.19 -0.55 8.43 8.30 1z7hA1 GLY 364 HA2 0.05 -0.05 0.34 -0.51 4.01 3.83 1z7hA1 GLY 364 HA3 -0.00 0.14 0.27 -0.51 4.01 3.91 1z7hA1 LYS 365 H 0.03 0.37 -0.30 -0.55 8.42 7.97 1z7hA1 LYS 365 HA 0.09 -0.01 0.46 -0.75 4.32 4.09 1z7hA1 LYS 365 HB2 0.02 0.08 0.18 -0.04 1.87 2.11 1z7hA1 LYS 365 HB3 0.03 0.20 0.22 -0.04 1.79 2.20 1z7hA1 LYS 365 HG2 0.02 -0.00 -0.07 -0.04 1.46 1.37 1z7hA1 LYS 365 HG3 0.04 -0.05 0.06 -0.04 1.46 1.47 1z7hA1 LYS 365 HD2 0.00 0.02 0.03 -0.04 1.69 1.69 1z7hA1 LYS 365 HD3 0.01 -0.04 0.00 -0.04 1.68 1.61 1z7hA1 LYS 365 HE2 0.01 -0.02 0.01 -0.04 2.99 2.94 1z7hA1 LYS 365 HE3 -0.01 0.07 -0.02 -0.04 2.99 3.00 1z7hA1 LYS 366 H 0.11 0.52 -0.07 -0.55 8.42 8.43 1z7hA1 LYS 366 HA 0.01 0.01 0.40 -0.75 4.32 3.99 1z7hA1 LYS 366 HB2 0.21 0.09 0.12 -0.04 1.87 2.26 1z7hA1 LYS 366 HB3 -0.04 -0.13 0.08 -0.04 1.79 1.66 1z7hA1 LYS 366 HG2 0.05 0.24 0.09 -0.04 1.46 1.80 1z7hA1 LYS 366 HG3 0.05 -0.05 0.01 -0.04 1.46 1.43 1z7hA1 LYS 366 HD2 -0.03 -0.05 0.06 -0.04 1.69 1.63 1z7hA1 LYS 366 HD3 -0.00 -0.01 -0.00 -0.04 1.68 1.62 1z7hA1 LYS 366 HE2 -0.02 -0.02 0.01 -0.04 2.99 2.93 1z7hA1 LYS 366 HE3 -0.02 -0.03 0.01 -0.04 2.99 2.90 1z7hA1 PHE 367 H 0.32 0.40 -0.39 -0.55 8.34 8.11 1z7hA1 PHE 367 HA 0.00 0.14 0.77 -0.75 4.62 4.78 1z7hA1 PHE 367 HB2 0.03 0.08 0.01 -0.04 3.15 3.23 1z7hA1 PHE 367 HB3 0.02 -0.06 -0.04 -0.04 3.06 2.94 1z7hA1 PHE 367 HD2 0.00 0.13 -0.06 -0.04 7.28 7.31 1z7hA1 PHE 367 HE2 -0.00 0.07 -0.12 -0.04 7.38 7.29 1z7hA1 PHE 367 HZ -0.02 0.06 0.10 -0.04 7.32 7.41 1z7hA1 ASN 368 H 0.14 0.35 -0.22 -0.55 8.53 8.25 1z7hA1 ASN 368 HA 0.14 -0.01 0.34 -0.75 4.76 4.48 1z7hA1 ASN 368 HB2 0.00 -0.03 -0.03 -0.04 2.88 2.78 1z7hA1 ASN 368 HB3 0.05 0.25 0.16 -0.04 2.79 3.21 1z7hA1 ASN 368 HD21 -0.11 0.07 0.17 -0.04 7.03 7.12 1z7hA1 ASN 368 HD22 -0.02 0.05 0.18 -0.04 7.74 7.91 1z7hA1 ILE 369 H 0.20 0.72 0.06 -0.55 8.25 8.68 1z7hA1 ILE 369 HA 0.21 0.10 0.88 -0.75 4.18 4.62 1z7hA1 ILE 369 HB 0.08 -0.04 0.06 -0.04 1.89 1.96 1z7hA1 ILE 369 HG12 0.15 -0.02 -0.04 -0.04 1.49 1.53 1z7hA1 ILE 369 HG13 0.20 0.20 -0.50 -0.04 1.21 1.08 1z7hA1 ILE 369 HG23 0.07 0.01 -0.11 -0.04 0.93 0.85 1z7hA1 ILE 369 HD13 -0.02 -0.04 -0.11 -0.04 0.88 0.68 1z7hA1 LYS 370 H -0.00 0.12 0.09 -0.55 8.42 8.07 1z7hA1 LYS 370 HA -0.71 0.03 0.38 -0.75 4.32 3.27 1z7hA1 LYS 370 HB2 -0.83 0.01 0.07 -0.04 1.87 1.08 1z7hA1 LYS 370 HB3 -0.21 0.02 0.04 -0.04 1.79 1.60 1z7hA1 LYS 370 HG2 -1.16 0.01 -0.12 -0.04 1.46 0.16 1z7hA1 LYS 370 HG3 -0.07 0.05 -0.27 -0.04 1.46 1.13 1z7hA1 LYS 370 HD2 -0.76 -0.02 0.03 -0.04 1.69 0.89 1z7hA1 LYS 370 HD3 -1.40 -0.00 -0.06 -0.04 1.68 0.18 1z7hA1 LYS 370 HE2 -1.04 0.03 -0.04 -0.04 2.99 1.89 1z7hA1 LYS 370 HE3 -0.30 -0.01 -0.04 -0.04 2.99 2.61 1z7hA1 THR 371 H -0.21 0.19 0.17 -0.55 8.28 7.88 1z7hA1 THR 371 HA -0.37 0.16 0.78 -0.75 4.39 4.20 1z7hA1 THR 371 HB -0.14 -0.04 0.01 -0.04 4.32 4.11 1z7hA1 THR 371 HG23 -0.10 0.07 -0.23 -0.04 1.22 0.92 1z7hA1 ARG 372 H -0.46 0.12 -0.00 -0.55 8.46 7.57 1z7hA1 ARG 372 HA -0.02 0.09 0.53 -0.75 4.34 4.19 1z7hA1 ARG 372 HB2 -0.03 -0.05 0.02 -0.04 1.90 1.80 1z7hA1 ARG 372 HB3 -0.57 0.01 -0.06 -0.04 1.80 1.13 1z7hA1 ARG 372 HG2 -0.17 -0.06 -0.07 -0.04 1.67 1.33 1z7hA1 ARG 372 HG3 -0.04 0.04 -0.38 -0.04 1.67 1.25 1z7hA1 ARG 372 HD2 -0.10 -0.03 -0.11 -0.04 3.22 2.94 1z7hA1 ARG 372 HD3 -0.23 0.00 -0.12 -0.04 3.22 2.83 1z7hA1 LEU 373 H 0.09 0.12 0.12 -0.55 8.37 8.16 1z7hA1 LEU 373 HA 0.12 0.09 0.42 -0.75 4.35 4.22 1z7hA1 LEU 373 HB2 0.11 -0.02 0.17 -0.04 1.64 1.86 1z7hA1 LEU 373 HB3 0.11 -0.02 0.07 -0.04 1.64 1.76 1z7hA1 LEU 373 HG 0.10 -0.09 0.18 -0.04 1.64 1.80 1z7hA1 LEU 373 HD13 0.10 0.03 0.20 -0.04 0.93 1.22 1z7hA1 LEU 373 HD23 0.07 -0.00 0.04 -0.04 0.89 0.95 1z7hA1 SER 374 H 0.06 0.18 -0.04 -0.55 8.46 8.11 1z7hA1 SER 374 HA 0.16 0.23 0.82 -0.75 4.49 4.94 1z7hA1 SER 374 HB2 0.13 0.06 -0.10 -0.04 3.95 4.01 1z7hA1 SER 374 HB3 0.08 0.08 -0.02 -0.04 3.93 4.03 1z7hA1 TYR 375 H -0.63 0.16 0.09 -0.55 8.29 7.36 1z7hA1 TYR 375 HA -0.89 0.11 0.31 -0.75 4.56 3.35 1z7hA1 TYR 375 HB2 -0.90 0.04 0.07 -0.04 3.06 2.22 1z7hA1 TYR 375 HB3 -0.71 -0.04 0.00 -0.04 2.98 2.19 1z7hA1 TYR 375 HD2 -0.48 -0.01 -0.07 -0.04 7.15 6.54 1z7hA1 TYR 375 HE2 -0.09 0.02 -0.00 -0.04 6.85 6.74 1z7hA1 PHE 376 H -0.12 -0.07 -0.52 -0.55 8.34 7.09 1z7hA1 PHE 376 HA -0.07 0.16 0.53 -0.75 4.62 4.48 1z7hA1 PHE 376 HB2 -0.19 -0.07 0.05 -0.04 3.15 2.91 1z7hA1 PHE 376 HB3 -0.57 -0.01 -0.17 -0.04 3.06 2.27 1z7hA1 PHE 376 HD2 -0.31 -0.01 -0.06 -0.04 7.28 6.86 1z7hA1 PHE 376 HE2 0.02 0.31 0.01 -0.04 7.38 7.68 1z7hA1 PHE 376 HZ -0.00 0.03 -0.08 -0.04 7.32 7.22 1z7hA1 SER 377 H 0.14 0.42 0.20 -0.55 8.46 8.67 1z7hA1 SER 377 HA 0.17 -0.02 0.72 -0.75 4.49 4.61 1z7hA1 SER 377 HB2 -0.03 0.11 -0.06 -0.04 3.95 3.93 1z7hA1 SER 377 HB3 0.10 -0.03 0.09 -0.04 3.93 4.04 1z7hA1 MET 378 H 0.11 0.10 0.10 -0.55 8.47 8.23 1z7hA1 MET 378 HA -0.13 0.11 0.47 -0.75 4.52 4.21 1z7hA1 MET 378 HB2 -0.03 0.01 0.07 -0.04 2.15 2.16 1z7hA1 MET 378 HB3 -0.13 0.01 -0.00 -0.04 2.03 1.86 1z7hA1 MET 378 HG2 -0.15 -0.12 0.00 -0.04 2.63 2.32 1z7hA1 MET 378 HG3 -0.12 0.03 0.02 -0.04 2.56 2.45 1z7hA1 MET 378 HE3 -0.32 0.01 -0.26 -0.04 2.10 1.49 1z7hA1 ASN 379 H -0.13 0.11 0.06 -0.55 8.53 8.03 1z7hA1 ASN 379 HA -0.05 0.16 0.45 -0.75 4.76 4.56 1z7hA1 ASN 379 HB2 -0.06 0.06 0.08 -0.04 2.88 2.91 1z7hA1 ASN 379 HB3 -0.09 0.01 0.08 -0.04 2.79 2.74 1z7hA1 ASN 379 HD21 -0.11 0.00 0.02 -0.04 7.03 6.90 1z7hA1 ASN 379 HD22 -0.12 0.03 0.03 -0.04 7.74 7.63 1z7hA1 HIS 380 H 0.09 0.60 -0.09 -0.55 8.41 8.46 1z7hA1 HIS 380 HA -0.01 -0.06 0.31 -0.75 4.63 4.11 1z7hA1 HIS 380 HB2 0.03 0.15 0.15 -0.04 3.26 3.55 1z7hA1 HIS 380 HB3 0.02 0.02 -0.13 -0.04 3.20 3.07 1z7hA1 HIS 380 HD2 0.05 -0.04 0.02 -0.04 6.97 6.95 1z7hA1 HIS 380 HE1 -0.00 0.03 -0.06 -0.04 7.75 7.67 1z7hA1 ASP 381 H 0.10 -0.01 0.16 -0.55 8.40 8.10 1z7hA1 ASP 381 HA 0.03 0.27 0.50 -0.75 4.63 4.68 1z7hA1 ASP 381 HB2 0.06 -0.12 0.16 -0.04 2.71 2.77 1z7hA1 ASP 381 HB3 0.02 0.07 0.06 -0.04 2.70 2.81 1z7hA1 PRO 382 HA 0.03 -0.02 0.68 -0.51 4.44 4.62 1z7hA1 PRO 382 HB2 0.06 0.05 -0.06 -0.04 2.28 2.29 1z7hA1 PRO 382 HB3 0.04 -0.04 0.05 -0.04 2.02 2.03 1z7hA1 PRO 382 HG2 0.02 -0.09 0.06 -0.04 2.03 1.97 1z7hA1 PRO 382 HG3 0.02 0.12 0.10 -0.04 2.03 2.22 1z7hA1 PRO 382 HD2 0.01 0.08 0.28 -0.04 3.68 4.01 1z7hA1 PRO 382 HD3 0.02 0.27 0.29 -0.04 3.65 4.18 1z7hA1 VAL 383 H -0.00 0.42 0.30 -0.55 8.24 8.40 1z7hA1 VAL 383 HA -0.01 0.10 1.04 -0.75 4.13 4.50 1z7hA1 VAL 383 HB 0.09 -0.00 0.12 -0.04 2.12 2.29 1z7hA1 VAL 383 HG13 -0.06 -0.00 -0.14 -0.04 0.97 0.72 1z7hA1 VAL 383 HG23 -0.22 0.01 -0.11 -0.04 0.95 0.58 1z7hA1 LYS 384 H -0.09 0.53 0.38 -0.55 8.42 8.68 1z7hA1 LYS 384 HA -0.41 0.33 1.16 -0.75 4.32 4.64 1z7hA1 LYS 384 HB2 -0.56 -0.05 -0.05 -0.04 1.87 1.17 1z7hA1 LYS 384 HB3 -0.23 -0.00 0.08 -0.04 1.79 1.59 1z7hA1 LYS 384 HG2 -0.28 -0.02 -0.36 -0.04 1.46 0.75 1z7hA1 LYS 384 HG3 -0.80 0.07 -0.09 -0.04 1.46 0.60 1z7hA1 LYS 384 HD2 -0.27 -0.03 -0.10 -0.04 1.69 1.26 1z7hA1 LYS 384 HD3 -0.14 -0.02 -0.10 -0.04 1.68 1.37 1z7hA1 LYS 384 HE2 -0.08 -0.01 -0.11 -0.04 2.99 2.75 1z7hA1 LYS 384 HE3 -0.11 -0.01 -0.10 -0.04 2.99 2.73 1z7hA1 ILE 385 H -0.23 0.78 0.29 -0.55 8.25 8.54 1z7hA1 ILE 385 HA -0.09 0.33 1.00 -0.75 4.18 4.67 1z7hA1 ILE 385 HB 0.01 -0.02 0.23 -0.04 1.89 2.06 1z7hA1 ILE 385 HG12 -0.06 -0.01 -0.13 -0.04 1.49 1.26 1z7hA1 ILE 385 HG13 0.20 -0.01 -0.03 -0.04 1.21 1.33 1z7hA1 ILE 385 HG23 0.22 0.01 -0.09 -0.04 0.93 1.03 1z7hA1 ILE 385 HD13 -0.40 0.04 -0.19 -0.04 0.88 0.29 1z7hA1 PRO 386 HA -0.03 0.05 0.51 -0.51 4.44 4.46 1z7hA1 PRO 386 HB2 -0.02 -0.02 -0.02 -0.04 2.28 2.19 1z7hA1 PRO 386 HB3 -0.05 -0.01 0.02 -0.04 2.02 1.94 1z7hA1 PRO 386 HG2 -0.03 0.04 -0.01 -0.04 2.03 1.99 1z7hA1 PRO 386 HG3 -0.07 0.05 -0.06 -0.04 2.03 1.91 1z7hA1 PRO 386 HD2 -0.08 0.35 0.18 -0.04 3.68 4.09 1z7hA1 PRO 386 HD3 -0.12 0.11 -0.23 -0.04 3.65 3.37 1z7hA1 ASN 387 H 0.02 0.28 -0.25 -0.55 8.53 8.04 1z7hA1 ASN 387 HA 0.03 0.14 1.05 -0.75 4.76 5.23 1z7hA1 ASN 387 HB2 0.06 0.13 0.15 -0.04 2.88 3.17 1z7hA1 ASN 387 HB3 0.05 -0.11 0.11 -0.04 2.79 2.80 1z7hA1 ASN 387 HD21 -0.00 0.00 -0.08 -0.04 7.03 6.90 1z7hA1 ASN 387 HD22 0.01 0.14 -0.04 -0.04 7.74 7.81 1z7hA1 LEU 388 H 0.01 0.24 -0.08 -0.55 8.37 7.99 1z7hA1 LEU 388 HA -0.02 0.20 0.59 -0.75 4.35 4.37 1z7hA1 LEU 388 HB2 -0.06 -0.03 0.02 -0.04 1.64 1.53 1z7hA1 LEU 388 HB3 -0.22 -0.00 -0.02 -0.04 1.64 1.36 1z7hA1 LEU 388 HG -0.04 0.08 -0.10 -0.04 1.64 1.54 1z7hA1 LEU 388 HD13 -0.10 0.03 -0.08 -0.04 0.93 0.74 1z7hA1 LEU 388 HD23 -0.52 0.01 -0.03 -0.04 0.89 0.31 1z7hA1 LEU 389 H 0.02 0.05 -0.08 -0.55 8.37 7.81 1z7hA1 LEU 389 HA 0.04 0.19 0.49 -0.75 4.35 4.31 1z7hA1 LEU 389 HB2 0.03 -0.01 0.02 -0.04 1.64 1.64 1z7hA1 LEU 389 HB3 0.03 0.01 0.10 -0.04 1.64 1.73 1z7hA1 LEU 389 HG 0.02 -0.06 0.00 -0.04 1.64 1.56 1z7hA1 LEU 389 HD13 0.02 0.02 0.03 -0.04 0.93 0.96 1z7hA1 LEU 389 HD23 0.01 0.02 -0.22 -0.04 0.89 0.67 1z7hA1 ASP 390 H 0.06 0.17 -0.59 -0.55 8.40 7.49 1z7hA1 ASP 390 HA 0.05 0.10 0.69 -0.75 4.63 4.71 1z7hA1 ASP 390 HB2 0.05 0.00 0.02 -0.04 2.71 2.74 1z7hA1 ASP 390 HB3 0.07 0.13 0.14 -0.04 2.70 3.00 1z7hA1 ASP 391 H 0.04 0.21 0.14 -0.55 8.40 8.25 1z7hA1 ASP 391 HA 0.06 0.44 0.22 -0.75 4.63 4.60 1z7hA1 ASP 391 HB2 0.03 -0.03 0.08 -0.04 2.71 2.75 1z7hA1 ASP 391 HB3 0.02 -0.03 0.00 -0.04 2.70 2.65 1z7hA1 THR 392 H 0.05 0.00 -0.54 -0.55 8.28 7.24 1z7hA1 THR 392 HA 0.05 0.07 0.37 -0.75 4.39 4.12 1z7hA1 THR 392 HB 0.05 -0.01 -0.05 -0.04 4.32 4.27 1z7hA1 THR 392 HG23 0.05 0.01 -0.02 -0.04 1.22 1.21 1z7hA1 ILE 393 H 0.10 0.52 -0.27 -0.55 8.25 8.05 1z7hA1 ILE 393 HA 0.19 0.14 0.89 -0.75 4.18 4.64 1z7hA1 ILE 393 HB 0.17 0.19 0.20 -0.04 1.89 2.40 1z7hA1 ILE 393 HG12 0.09 -0.20 -0.15 -0.04 1.49 1.20 1z7hA1 ILE 393 HG13 0.09 -0.01 0.02 -0.04 1.21 1.27 1z7hA1 ILE 393 HG23 0.34 -0.03 -0.02 -0.04 0.93 1.18 1z7hA1 ILE 393 HD13 0.10 0.02 -0.12 -0.04 0.88 0.84 1z7hA1 TYR 394 H 0.16 0.46 0.08 -0.55 8.29 8.44 1z7hA1 TYR 394 HA -0.08 0.38 0.66 -0.75 4.56 4.76 1z7hA1 TYR 394 HB2 -0.23 0.04 -0.29 -0.04 3.06 2.54 1z7hA1 TYR 394 HB3 -0.09 0.09 0.06 -0.04 2.98 3.00 1z7hA1 TYR 394 HD2 -1.18 0.06 -0.26 -0.04 7.15 5.73 1z7hA1 TYR 394 HE2 -0.30 -0.04 -0.08 -0.04 6.85 6.39 1z7hA1 ASN 395 H -0.35 0.42 0.23 -0.55 8.53 8.28 1z7hA1 ASN 395 HA 0.00 0.26 0.96 -0.75 4.76 5.22 1z7hA1 ASN 395 HB2 -0.04 -0.05 0.16 -0.04 2.88 2.92 1z7hA1 ASN 395 HB3 -0.03 0.19 0.02 -0.04 2.79 2.93 1z7hA1 ASN 395 HD21 -0.05 -0.06 -0.07 -0.04 7.03 6.81 1z7hA1 ASN 395 HD22 -0.03 0.12 -0.04 -0.04 7.74 7.75 1z7hA1 ASP 396 H -0.01 0.19 0.12 -0.55 8.40 8.14 1z7hA1 ASP 396 HA -0.01 0.18 0.61 -0.75 4.63 4.66 1z7hA1 ASP 396 HB2 0.04 0.05 -0.01 -0.04 2.71 2.74 1z7hA1 ASP 396 HB3 0.05 0.04 0.07 -0.04 2.70 2.82 1z7hA1 THR 397 H -0.09 -0.16 -0.41 -0.55 8.28 7.08 1z7hA1 THR 397 HA -0.03 0.36 0.99 -0.75 4.39 4.96 1z7hA1 THR 397 HB -0.04 0.05 0.03 -0.04 4.32 4.32 1z7hA1 THR 397 HG23 -0.03 0.01 -0.09 -0.04 1.22 1.06 1z7hA1 GLU 398 H -0.14 -0.15 0.01 -0.55 8.60 7.77 1z7hA1 GLU 398 HA -0.04 0.35 0.89 -0.75 4.29 4.74 1z7hA1 GLU 398 HB2 -0.07 -0.05 -0.25 -0.04 2.09 1.67 1z7hA1 GLU 398 HB3 -0.04 0.25 -0.08 -0.04 1.99 2.09 1z7hA1 GLU 398 HG2 -0.04 0.16 -0.11 -0.04 2.34 2.30 1z7hA1 GLU 398 HG3 -0.05 -0.14 -0.40 -0.04 2.34 1.71 1z7hA1 GLY 399 H -0.40 0.21 0.12 -0.55 8.43 7.82 1z7hA1 GLY 399 HA2 -1.95 0.12 0.37 -0.51 4.01 2.04 1z7hA1 GLY 399 HA3 -0.47 0.03 0.52 -0.51 4.01 3.58 1z7hA1 PHE 400 H 0.01 0.11 0.25 -0.55 8.34 8.15 1z7hA1 PHE 400 HA 0.11 0.40 0.77 -0.75 4.62 5.15 1z7hA1 PHE 400 HB2 0.14 -0.10 -0.01 -0.04 3.15 3.14 1z7hA1 PHE 400 HB3 0.21 0.16 0.05 -0.04 3.06 3.44 1z7hA1 PHE 400 HD2 0.31 0.09 0.06 -0.04 7.28 7.69 1z7hA1 PHE 400 HE2 0.28 0.02 -0.01 -0.04 7.38 7.63 1z7hA1 PHE 400 HZ 0.10 -0.01 -0.02 -0.04 7.32 7.35 1z7hA1 ASN 401 H 0.11 0.24 0.04 -0.55 8.53 8.37 1z7hA1 ASN 401 HA 0.10 0.12 0.40 -0.75 4.76 4.63 1z7hA1 ASN 401 HB2 0.05 0.17 0.31 -0.04 2.88 3.37 1z7hA1 ASN 401 HB3 0.04 -0.01 0.28 -0.04 2.79 3.05 1z7hA1 ASN 401 HD21 0.21 -0.17 0.19 -0.04 7.03 7.22 1z7hA1 ASN 401 HD22 0.15 0.48 0.32 -0.04 7.74 8.65 1z7hA1 ILE 402 H 0.07 0.63 -0.12 -0.55 8.25 8.29 1z7hA1 ILE 402 HA -0.01 0.07 0.46 -0.75 4.18 3.94 1z7hA1 ILE 402 HB 0.04 0.05 0.06 -0.04 1.89 2.00 1z7hA1 ILE 402 HG12 -0.03 -0.14 -0.24 -0.04 1.49 1.04 1z7hA1 ILE 402 HG13 0.03 0.10 -0.46 -0.04 1.21 0.84 1z7hA1 ILE 402 HG23 0.01 -0.07 -0.13 -0.04 0.93 0.70 1z7hA1 ILE 402 HD13 0.04 0.04 -0.25 -0.04 0.88 0.67 1z7hA1 GLU 403 H -0.01 0.30 0.18 -0.55 8.60 8.52 1z7hA1 GLU 403 HA -0.00 -0.10 0.41 -0.75 4.29 3.84 1z7hA1 GLU 403 HB2 -0.02 0.09 0.15 -0.04 2.09 2.27 1z7hA1 GLU 403 HB3 -0.01 0.02 0.14 -0.04 1.99 2.09 1z7hA1 GLU 403 HG2 -0.01 0.03 -0.20 -0.04 2.34 2.12 1z7hA1 GLU 403 HG3 -0.01 -0.05 0.08 -0.04 2.34 2.31 1z7hA1 SER 404 H 0.00 0.12 -0.15 -0.55 8.46 7.88 1z7hA1 SER 404 HA 0.00 0.10 0.40 -0.75 4.49 4.23 1z7hA1 SER 404 HB2 0.01 0.05 0.07 -0.04 3.95 4.03 1z7hA1 SER 404 HB3 0.00 -0.02 0.08 -0.04 3.93 3.95 1z7hA1 LYS 405 H 0.02 0.24 -0.53 -0.55 8.42 7.59 1z7hA1 LYS 405 HA 0.02 0.18 0.73 -0.75 4.32 4.50 1z7hA1 LYS 405 HB2 0.05 0.04 0.03 -0.04 1.87 1.95 1z7hA1 LYS 405 HB3 0.04 0.03 0.13 -0.04 1.79 1.95 1z7hA1 LYS 405 HG2 0.03 -0.11 -0.21 -0.04 1.46 1.12 1z7hA1 LYS 405 HG3 0.04 0.01 -0.03 -0.04 1.46 1.44 1z7hA1 LYS 405 HD2 0.04 -0.04 0.01 -0.04 1.69 1.66 1z7hA1 LYS 405 HD3 0.05 0.01 0.03 -0.04 1.68 1.72 1z7hA1 LYS 405 HE2 0.09 0.17 0.10 -0.04 2.99 3.30 1z7hA1 LYS 405 HE3 0.07 -0.05 0.05 -0.04 2.99 3.01 1z7hA1 ASP 406 H 0.01 0.50 -0.36 -0.55 8.40 8.00 1z7hA1 ASP 406 HA 0.00 -0.04 0.37 -0.75 4.63 4.21 1z7hA1 ASP 406 HB2 0.01 0.02 -0.10 -0.04 2.71 2.59 1z7hA1 ASP 406 HB3 0.01 0.20 0.07 -0.04 2.70 2.94 1z7hA1 LEU 407 H 0.03 0.46 -0.28 -0.55 8.37 8.03 1z7hA1 LEU 407 HA 0.04 0.22 0.71 -0.75 4.35 4.57 1z7hA1 LEU 407 HB2 0.07 -0.02 0.03 -0.04 1.64 1.68 1z7hA1 LEU 407 HB3 0.08 -0.11 0.07 -0.04 1.64 1.64 1z7hA1 LEU 407 HG 0.05 0.18 -0.30 -0.04 1.64 1.53 1z7hA1 LEU 407 HD13 0.11 0.00 0.05 -0.04 0.93 1.05 1z7hA1 LEU 407 HD23 0.06 0.02 -0.22 -0.04 0.89 0.71 1z7hA1 LYS 408 H 0.00 0.02 -0.35 -0.55 8.42 7.53 1z7hA1 LYS 408 HA -0.01 0.21 0.52 -0.75 4.32 4.28 1z7hA1 LYS 408 HB2 -0.02 -0.07 -0.08 -0.04 1.87 1.67 1z7hA1 LYS 408 HB3 -0.03 -0.08 0.06 -0.04 1.79 1.70 1z7hA1 LYS 408 HG2 -0.07 -0.04 -0.15 -0.04 1.46 1.15 1z7hA1 LYS 408 HG3 -0.04 0.17 0.09 -0.04 1.46 1.64 1z7hA1 LYS 408 HD2 -0.03 -0.06 0.07 -0.04 1.69 1.63 1z7hA1 LYS 408 HD3 -0.04 -0.05 0.02 -0.04 1.68 1.57 1z7hA1 LYS 408 HE2 -0.05 -0.02 0.00 -0.04 2.99 2.87 1z7hA1 LYS 408 HE3 -0.04 0.11 0.04 -0.04 2.99 3.06 1z7hA1 SER 409 H -0.03 0.05 -0.08 -0.55 8.46 7.84 1z7hA1 SER 409 HA -0.11 0.05 0.37 -0.75 4.49 4.04 1z7hA1 SER 409 HB2 -0.02 0.07 -0.04 -0.04 3.95 3.92 1z7hA1 SER 409 HB3 -0.04 0.02 0.03 -0.04 3.93 3.89 1z7hA1 GLU 410 H -0.17 0.13 0.16 -0.55 8.60 8.18 1z7hA1 GLU 410 HA -0.09 0.03 0.31 -0.75 4.29 3.79 1z7hA1 GLU 410 HB2 0.05 0.11 -0.19 -0.04 2.09 2.01 1z7hA1 GLU 410 HB3 0.12 0.02 0.15 -0.04 1.99 2.23 1z7hA1 GLU 410 HG2 0.04 0.03 0.03 -0.04 2.34 2.39 1z7hA1 GLU 410 HG3 -0.02 -0.09 0.00 -0.04 2.34 2.20 1z7hA1 TYR 411 H -0.34 0.32 -0.42 -0.55 8.29 7.30 1z7hA1 TYR 411 HA 0.01 0.15 0.32 -0.75 4.56 4.29 1z7hA1 TYR 411 HB2 -0.11 0.09 0.12 -0.04 3.06 3.11 1z7hA1 TYR 411 HB3 -0.05 -0.08 0.18 -0.04 2.98 2.98 1z7hA1 TYR 411 HD2 -0.05 0.12 -0.40 -0.04 7.15 6.78 1z7hA1 TYR 411 HE2 -0.03 0.02 -0.23 -0.04 6.85 6.57 1z7hA1 LYS 412 H 0.06 0.52 -0.41 -0.55 8.42 8.04 1z7hA1 LYS 412 HA 0.11 0.02 0.40 -0.75 4.32 4.10 1z7hA1 LYS 412 HB2 0.05 0.01 0.04 -0.04 1.87 1.92 1z7hA1 LYS 412 HB3 0.05 -0.04 0.02 -0.04 1.79 1.79 1z7hA1 LYS 412 HG2 0.05 -0.08 0.01 -0.04 1.46 1.41 1z7hA1 LYS 412 HG3 0.05 0.13 -0.08 -0.04 1.46 1.53 1z7hA1 LYS 412 HD2 0.03 -0.01 0.01 -0.04 1.69 1.67 1z7hA1 LYS 412 HD3 0.03 -0.08 -0.03 -0.04 1.68 1.55 1z7hA1 LYS 412 HE2 0.01 -0.13 -0.09 -0.04 2.99 2.74 1z7hA1 LYS 412 HE3 0.02 0.05 0.07 -0.04 2.99 3.10 1z7hA1 GLY 413 H 0.09 0.41 -0.23 -0.55 8.43 8.15 1z7hA1 GLY 413 HA2 0.12 0.07 0.38 -0.51 4.01 4.07 1z7hA1 GLY 413 HA3 0.16 0.04 -0.05 -0.51 4.01 3.65 1z7hA1 GLN 414 H 0.01 0.45 -0.40 -0.55 8.47 7.98 1z7hA1 GLN 414 HA -1.28 0.18 0.80 -0.75 4.36 3.31 1z7hA1 GLN 414 HB2 -0.04 0.13 0.15 -0.04 2.15 2.34 1z7hA1 GLN 414 HB3 -0.33 0.03 0.16 -0.04 2.02 1.84 1z7hA1 GLN 414 HG2 -0.08 0.09 0.00 -0.04 2.40 2.37 1z7hA1 GLN 414 HG3 0.08 -0.11 -0.06 -0.04 2.39 2.26 1z7hA1 GLN 414 HE21 0.09 0.18 0.10 -0.04 6.97 7.29 1z7hA1 GLN 414 HE22 0.08 0.28 0.14 -0.04 7.69 8.16 1z7hA1 ASN 415 H -0.04 0.27 -0.15 -0.55 8.53 8.07 1z7hA1 ASN 415 HA -0.52 0.18 0.65 -0.75 4.76 4.31 1z7hA1 ASN 415 HB2 0.05 0.12 0.18 -0.04 2.88 3.19 1z7hA1 ASN 415 HB3 -0.04 -0.01 0.28 -0.04 2.79 2.97 1z7hA1 ASN 415 HD21 -0.19 -0.04 -0.02 -0.04 7.03 6.74 1z7hA1 ASN 415 HD22 -0.01 0.09 0.01 -0.04 7.74 7.79 1z7hA1 MET 416 H -0.35 0.41 0.16 -0.55 8.47 8.15 1z7hA1 MET 416 HA 0.05 0.17 0.19 -0.75 4.52 4.19 1z7hA1 MET 416 HB2 -0.24 -0.06 -0.03 -0.04 2.15 1.77 1z7hA1 MET 416 HB3 -0.15 0.01 -0.08 -0.04 2.03 1.76 1z7hA1 MET 416 HG2 -1.28 0.05 -0.09 -0.04 2.63 1.27 1z7hA1 MET 416 HG3 -0.14 0.04 -0.11 -0.04 2.56 2.31 1z7hA1 MET 416 HE3 -0.35 0.01 -0.10 -0.04 2.10 1.62 1z7hA1 ARG 417 H -0.13 0.08 -0.26 -0.55 8.46 7.60 1z7hA1 ARG 417 HA 0.03 0.14 0.50 -0.75 4.34 4.25 1z7hA1 ARG 417 HB2 -0.08 -0.09 0.03 -0.04 1.90 1.73 1z7hA1 ARG 417 HB3 -0.07 0.03 -0.04 -0.04 1.80 1.67 1z7hA1 ARG 417 HG2 -0.01 0.05 0.07 -0.04 1.67 1.74 1z7hA1 ARG 417 HG3 -0.01 -0.01 0.05 -0.04 1.67 1.65 1z7hA1 ARG 417 HD2 -0.02 -0.01 -0.01 -0.04 3.22 3.15 1z7hA1 ARG 417 HD3 -0.04 -0.06 -0.02 -0.04 3.22 3.06 1z7hA1 VAL 418 H -0.01 0.22 -0.40 -0.55 8.24 7.50 1z7hA1 VAL 418 HA 0.03 0.15 0.86 -0.75 4.13 4.41 1z7hA1 VAL 418 HB 0.02 0.20 0.20 -0.04 2.12 2.51 1z7hA1 VAL 418 HG13 0.04 -0.01 -0.11 -0.04 0.97 0.84 1z7hA1 VAL 418 HG23 -0.01 -0.04 -0.05 -0.04 0.95 0.82 1z7hA1 ASN 419 H 0.10 0.64 0.08 -0.55 8.53 8.81 1z7hA1 ASN 419 HA 0.11 0.06 0.63 -0.75 4.76 4.80 1z7hA1 ASN 419 HB2 0.13 0.10 0.15 -0.04 2.88 3.22 1z7hA1 ASN 419 HB3 0.31 0.04 0.14 -0.04 2.79 3.24 1z7hA1 ASN 419 HD21 0.28 0.03 0.18 -0.04 7.03 7.48 1z7hA1 ASN 419 HD22 0.25 0.44 0.26 -0.04 7.74 8.65 1z7hA1 THR 420 H 0.09 0.43 -0.41 -0.55 8.28 7.84 1z7hA1 THR 420 HA 0.26 0.16 0.32 -0.75 4.39 4.37 1z7hA1 THR 420 HB -0.07 -0.04 0.00 -0.04 4.32 4.17 1z7hA1 THR 420 HG23 0.07 0.03 -0.11 -0.04 1.22 1.18 1z7hA1 ASN 421 H 0.01 0.08 -0.16 -0.55 8.53 7.91 1z7hA1 ASN 421 HA -0.15 0.20 0.65 -0.75 4.76 4.71 1z7hA1 ASN 421 HB2 -0.03 -0.03 0.06 -0.04 2.88 2.83 1z7hA1 ASN 421 HB3 0.01 0.01 0.02 -0.04 2.79 2.78 1z7hA1 ASN 421 HD21 0.00 -0.05 -0.03 -0.04 7.03 6.91 1z7hA1 ASN 421 HD22 0.02 0.02 -0.08 -0.04 7.74 7.66 1z7hA1 ALA 422 H 0.06 0.26 -0.32 -0.55 8.40 7.86 1z7hA1 ALA 422 HA 0.05 0.00 0.46 -0.75 4.34 4.10 1z7hA1 ALA 422 HB3 0.05 0.03 0.11 -0.04 1.41 1.56 1z7hA1 PHE 423 H -0.16 0.22 -0.31 -0.55 8.34 7.54 1z7hA1 PHE 423 HA -0.29 0.30 1.06 -0.75 4.62 4.93 1z7hA1 PHE 423 HB2 -0.41 -0.05 0.08 -0.04 3.15 2.73 1z7hA1 PHE 423 HB3 -0.95 -0.01 -0.17 -0.04 3.06 1.88 1z7hA1 PHE 423 HD2 -0.25 0.01 -0.15 -0.04 7.28 6.85 1z7hA1 PHE 423 HE2 -0.05 0.02 -0.09 -0.04 7.38 7.22 1z7hA1 PHE 423 HZ -0.05 -0.04 -0.05 -0.04 7.32 7.14 1z7hA1 ARG 424 H -0.04 0.44 0.35 -0.55 8.46 8.65 1z7hA1 ARG 424 HA -0.32 0.13 0.74 -0.75 4.34 4.14 1z7hA1 ARG 424 HB2 -0.12 -0.05 0.01 -0.04 1.90 1.70 1z7hA1 ARG 424 HB3 -0.12 0.00 -0.01 -0.04 1.80 1.64 1z7hA1 ARG 424 HG2 -0.16 0.06 -0.50 -0.04 1.67 1.02 1z7hA1 ARG 424 HG3 -0.10 -0.08 -0.08 -0.04 1.67 1.36 1z7hA1 ARG 424 HD2 -0.14 -0.08 0.06 -0.04 3.22 3.02 1z7hA1 ARG 424 HD3 -0.25 0.22 0.20 -0.04 3.22 3.35 1z7hA1 ASN 425 H -0.10 0.15 0.12 -0.55 8.53 8.15 1z7hA1 ASN 425 HA 0.03 0.09 0.66 -0.75 4.76 4.80 1z7hA1 ASN 425 HB2 -0.02 -0.04 0.10 -0.04 2.88 2.88 1z7hA1 ASN 425 HB3 0.01 0.10 0.01 -0.04 2.79 2.87 1z7hA1 ASN 425 HD21 0.15 -0.02 -0.04 -0.04 7.03 7.08 1z7hA1 ASN 425 HD22 0.06 0.05 -0.01 -0.04 7.74 7.80 1z7hA1 VAL 426 H -0.05 0.24 0.23 -0.55 8.24 8.11 1z7hA1 VAL 426 HA -0.13 -0.04 0.37 -0.75 4.13 3.58 1z7hA1 VAL 426 HB -0.20 0.04 0.06 -0.04 2.12 1.98 1z7hA1 VAL 426 HG13 -0.10 0.03 0.08 -0.04 0.97 0.95 1z7hA1 VAL 426 HG23 -0.76 -0.03 -0.14 -0.04 0.95 -0.02 1z7hA1 ASP 427 H -0.05 0.08 0.09 -0.55 8.40 7.97 1z7hA1 ASP 427 HA -0.01 0.21 0.54 -0.75 4.63 4.63 1z7hA1 ASP 427 HB2 0.04 -0.02 0.10 -0.04 2.71 2.78 1z7hA1 ASP 427 HB3 0.02 -0.00 0.07 -0.04 2.70 2.74