============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 45 rings ring int. center anis. iso. TRP 7 1.040 -83.937 -2.647 35.847 -99.200 -91.000 TRP6 7 1.020 -84.599 -4.855 36.385 -99.200 -91.000 PHE 17 1.000 -81.374 -6.840 45.112 -99.200 -91.000 HIS 37 0.900 -80.232 -1.938 23.652 -99.200 -91.000 TRP 41 1.040 -95.886 -3.549 27.826 -99.200 -91.000 TRP6 41 1.020 -96.881 -5.449 28.831 -99.200 -91.000 TRP 43 1.040 -97.373 -9.071 32.378 -99.200 -91.000 TRP6 43 1.020 -98.293 -7.520 33.909 -99.200 -91.000 TYR 48 0.840 -88.372 -19.124 47.081 -99.200 -91.000 PHE 60 1.000 -96.159 -18.368 32.563 -99.200 -91.000 HIS 76 0.900 -76.793 -6.501 17.754 -99.200 -91.000 PHE 77 1.000 -83.570 -13.534 21.369 -99.200 -91.000 PHE 86 1.000 -83.385 -18.513 24.055 -99.200 -91.000 HIS 92 0.900 -84.296 -28.519 29.043 -99.200 -91.000 PHE 103 1.000 -71.585 -30.277 31.755 -99.200 -91.000 PHE 143 1.000 -60.131 -24.276 39.142 -99.200 -91.000 HIS 163 0.900 -56.597 -20.848 28.752 -99.200 -91.000 TRP 165 1.040 -60.580 -19.478 18.851 -99.200 -91.000 TRP6 165 1.020 -60.494 -21.669 17.965 -99.200 -91.000 TYR 187 0.840 -69.552 -20.116 19.084 -99.200 -91.000 TRP 189 1.040 -61.284 -26.950 17.799 -99.200 -91.000 TRP6 189 1.020 -62.342 -27.887 19.689 -99.200 -91.000 TYR 206 0.840 -66.152 -29.947 22.504 -99.200 -91.000 HIS 239 0.900 -67.421 -12.880 34.970 -99.200 -91.000 TYR 246 0.840 -65.560 -5.846 46.362 -99.200 -91.000 TRP 275 1.040 -76.257 -10.007 50.414 -99.200 -91.000 TRP6 275 1.020 -74.736 -8.642 49.224 -99.200 -91.000 HIS 278 0.900 -73.554 -15.302 38.271 -99.200 -91.000 HIS 295 0.900 -98.739 -13.038 44.975 -99.200 -91.000 TYR 306 0.840 -87.100 -10.748 30.606 -99.200 -91.000 TYR 309 0.840 -84.446 -17.888 38.505 -99.200 -91.000 PHE 319 1.000 -84.239 -17.004 50.833 -99.200 -91.000 HIS 334 0.900 -78.667 -21.009 46.829 -99.200 -91.000 TYR 337 0.840 -75.652 -22.981 41.161 -99.200 -91.000 HIS 341 0.900 -88.559 -27.390 32.173 -99.200 -91.000 HIS 342 0.900 -85.728 -23.898 30.223 -99.200 -91.000 PHE 343 1.000 -80.382 -26.591 39.347 -99.200 -91.000 TRP 379 1.040 -66.972 -3.928 41.133 -99.200 -91.000 TRP6 379 1.020 -68.000 -5.882 41.959 -99.200 -91.000 TRP 395 1.040 -49.022 -14.238 48.473 -99.200 -91.000 TRP6 395 1.020 -49.721 -13.511 46.328 -99.200 -91.000 HIS 396 0.900 -48.942 -12.686 56.118 -99.200 -91.000 HIS 397 0.900 -41.809 -13.981 49.074 -99.200 -91.000 HIS 398 0.900 -40.090 -16.796 53.209 -99.200 -91.000 HIS 399 0.900 -39.129 -14.124 57.130 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2nz5B1 PRO 13 HA 0.13 -0.03 0.21 -0.51 4.44 4.24 2nz5B1 PRO 14 HA -0.05 0.06 0.42 -0.51 4.44 4.36 2nz5B1 PRO 14 HB2 -0.05 0.10 0.05 -0.04 2.28 2.34 2nz5B1 PRO 14 HB3 0.01 0.02 0.13 -0.04 2.02 2.14 2nz5B1 PRO 14 HG2 -0.05 -0.05 0.01 -0.04 2.03 1.91 2nz5B1 PRO 14 HG3 0.19 0.15 0.07 -0.04 2.03 2.40 2nz5B1 PRO 14 HD2 0.27 0.02 0.12 -0.04 3.68 4.06 2nz5B1 PRO 14 HD3 0.12 0.12 0.14 -0.04 3.65 3.99 2nz5B1 PRO 15 HA -0.17 0.01 0.44 -0.51 4.44 4.20 2nz5B1 PRO 15 HB2 -0.09 0.12 0.04 -0.04 2.28 2.31 2nz5B1 PRO 15 HB3 -0.08 -0.02 0.14 -0.04 2.02 2.02 2nz5B1 PRO 15 HG2 -0.08 0.04 0.02 -0.04 2.03 1.97 2nz5B1 PRO 15 HG3 -0.06 0.00 0.08 -0.04 2.03 2.00 2nz5B1 PRO 15 HD2 -0.06 0.07 0.22 -0.04 3.68 3.86 2nz5B1 PRO 15 HD3 -0.06 0.11 0.20 -0.04 3.65 3.85 2nz5B1 VAL 16 H -0.20 0.02 0.14 -0.55 8.24 7.65 2nz5B1 VAL 16 HA -0.27 0.11 0.40 -0.75 4.13 3.62 2nz5B1 VAL 16 HB -0.10 -0.05 0.01 -0.04 2.12 1.94 2nz5B1 VAL 16 HG13 0.02 -0.01 -0.31 -0.04 0.97 0.63 2nz5B1 VAL 16 HG23 -0.41 -0.01 -0.02 -0.04 0.95 0.47 2nz5B1 ARG 17 H -0.06 0.35 0.19 -0.55 8.46 8.39 2nz5B1 ARG 17 HA -0.05 0.13 0.99 -0.75 4.34 4.66 2nz5B1 ARG 17 HB2 -0.06 0.03 0.17 -0.04 1.90 2.00 2nz5B1 ARG 17 HB3 -0.09 0.02 -0.05 -0.04 1.80 1.65 2nz5B1 ARG 17 HG2 -0.09 0.20 -0.16 -0.04 1.67 1.58 2nz5B1 ARG 17 HG3 -0.10 -0.08 -0.04 -0.04 1.67 1.41 2nz5B1 ARG 17 HD2 -0.08 -0.05 -0.00 -0.04 3.22 3.05 2nz5B1 ARG 17 HD3 -0.07 0.12 -0.10 -0.04 3.22 3.13 2nz5B1 ASP 18 H -0.01 0.13 0.12 -0.55 8.40 8.09 2nz5B1 ASP 18 HA 0.05 0.16 0.55 -0.75 4.63 4.63 2nz5B1 ASP 18 HB2 0.00 -0.04 0.15 -0.04 2.71 2.78 2nz5B1 ASP 18 HB3 0.03 0.01 -0.05 -0.04 2.70 2.65 2nz5B1 TRP 19 H 0.17 0.62 0.18 -0.55 7.97 8.39 2nz5B1 TRP 19 HA -0.06 0.14 0.87 -0.75 4.62 4.81 2nz5B1 TRP 19 HB2 -0.06 -0.01 -0.19 -0.04 3.23 2.93 2nz5B1 TRP 19 HB3 -0.08 -0.02 0.06 -0.04 3.23 3.15 2nz5B1 TRP 19 HD1 -0.07 0.11 -0.15 -0.04 7.22 7.06 2nz5B1 TRP 19 HE1 -0.10 -0.09 -0.08 -0.04 10.20 9.89 2nz5B1 TRP 19 HE3 -0.09 0.01 -0.16 -0.04 7.59 7.31 2nz5B1 TRP 19 HZ2 -0.15 0.03 -0.01 -0.04 7.44 7.27 2nz5B1 TRP 19 HZ3 -0.10 -0.00 -0.18 -0.04 7.13 6.81 2nz5B1 TRP 19 HH2 -0.11 -0.00 -0.16 -0.04 7.19 6.88 2nz5B1 PRO 20 HA -0.02 0.08 0.41 -0.51 4.44 4.40 2nz5B1 PRO 20 HB2 0.05 0.06 -0.05 -0.04 2.28 2.30 2nz5B1 PRO 20 HB3 0.01 0.00 0.12 -0.04 2.02 2.10 2nz5B1 PRO 20 HG2 0.04 0.02 -0.01 -0.04 2.03 2.04 2nz5B1 PRO 20 HG3 0.04 0.03 -0.05 -0.04 2.03 2.01 2nz5B1 PRO 20 HD2 0.21 0.05 0.05 -0.04 3.68 3.95 2nz5B1 PRO 20 HD3 0.13 0.26 -0.30 -0.04 3.65 3.70 2nz5B1 ALA 21 H -0.05 0.10 0.16 -0.55 8.40 8.07 2nz5B1 ALA 21 HA -0.16 0.13 0.71 -0.75 4.34 4.26 2nz5B1 ALA 21 HB3 -0.08 0.01 0.09 -0.04 1.41 1.39 2nz5B1 LEU 22 H -0.09 0.13 0.15 -0.55 8.37 8.01 2nz5B1 LEU 22 HA -0.02 0.04 0.45 -0.75 4.35 4.06 2nz5B1 LEU 22 HB2 -0.05 0.06 0.15 -0.04 1.64 1.76 2nz5B1 LEU 22 HB3 -0.07 0.04 0.14 -0.04 1.64 1.70 2nz5B1 LEU 22 HG -0.08 -0.26 -0.02 -0.04 1.64 1.24 2nz5B1 LEU 22 HD13 -0.04 -0.02 0.02 -0.04 0.93 0.85 2nz5B1 LEU 22 HD23 -0.12 0.05 0.03 -0.04 0.89 0.81 2nz5B1 ASP 23 H -0.03 0.13 0.05 -0.55 8.40 8.00 2nz5B1 ASP 23 HA -0.02 0.19 0.70 -0.75 4.63 4.74 2nz5B1 ASP 23 HB2 -0.02 0.06 -0.07 -0.04 2.71 2.64 2nz5B1 ASP 23 HB3 -0.02 -0.02 0.13 -0.04 2.70 2.76 2nz5B1 LEU 24 H -0.09 0.24 -0.06 -0.55 8.37 7.92 2nz5B1 LEU 24 HA -0.09 0.16 0.94 -0.75 4.35 4.60 2nz5B1 LEU 24 HB2 -0.10 -0.09 -0.01 -0.04 1.64 1.40 2nz5B1 LEU 24 HB3 -0.21 0.10 0.01 -0.04 1.64 1.50 2nz5B1 LEU 24 HG -0.08 0.01 0.00 -0.04 1.64 1.54 2nz5B1 LEU 24 HD13 -0.08 0.01 -0.10 -0.04 0.93 0.72 2nz5B1 LEU 24 HD23 -0.18 -0.03 -0.18 -0.04 0.89 0.46 2nz5B1 ASP 25 H -0.13 0.16 0.06 -0.55 8.40 7.94 2nz5B1 ASP 25 HA -0.26 0.13 0.62 -0.75 4.63 4.36 2nz5B1 ASP 25 HB2 -0.02 -0.05 0.18 -0.04 2.71 2.78 2nz5B1 ASP 25 HB3 0.05 0.11 0.25 -0.04 2.70 3.07 2nz5B1 GLY 26 H -1.16 0.57 -0.17 -0.55 8.43 7.13 2nz5B1 GLY 26 HA2 -1.75 0.11 0.32 -0.51 4.01 2.19 2nz5B1 GLY 26 HA3 -0.62 -0.01 0.31 -0.51 4.01 3.18 2nz5B1 PRO 27 HA -0.19 0.18 0.55 -0.51 4.44 4.48 2nz5B1 PRO 27 HB2 0.57 0.03 0.04 -0.04 2.28 2.87 2nz5B1 PRO 27 HB3 0.33 0.04 0.04 -0.04 2.02 2.39 2nz5B1 PRO 27 HG2 0.31 0.02 -0.11 -0.04 2.03 2.21 2nz5B1 PRO 27 HG3 0.41 0.04 -0.01 -0.04 2.03 2.43 2nz5B1 PRO 27 HD2 -0.08 0.08 0.18 -0.04 3.68 3.82 2nz5B1 PRO 27 HD3 -0.27 0.16 0.10 -0.04 3.65 3.59 2nz5B1 GLU 28 H -0.15 -0.02 -0.32 -0.55 8.60 7.56 2nz5B1 GLU 28 HA 0.11 0.01 0.34 -0.75 4.29 3.99 2nz5B1 GLU 28 HB2 -0.10 -0.05 -0.08 -0.04 2.09 1.83 2nz5B1 GLU 28 HB3 -0.00 0.11 -0.07 -0.04 1.99 1.98 2nz5B1 GLU 28 HG2 0.02 0.00 -0.02 -0.04 2.34 2.30 2nz5B1 GLU 28 HG3 0.10 0.02 0.01 -0.04 2.34 2.43 2nz5B1 PHE 29 H 0.05 0.06 0.14 -0.55 8.34 8.03 2nz5B1 PHE 29 HA -0.22 0.11 0.48 -0.75 4.62 4.24 2nz5B1 PHE 29 HB2 -0.34 0.07 0.12 -0.04 3.15 2.96 2nz5B1 PHE 29 HB3 -0.14 -0.07 -0.03 -0.04 3.06 2.79 2nz5B1 PHE 29 HD2 -0.26 0.07 -0.15 -0.04 7.28 6.90 2nz5B1 PHE 29 HE2 -0.12 0.05 -0.24 -0.04 7.38 7.03 2nz5B1 PHE 29 HZ -0.05 -0.08 -0.25 -0.04 7.32 6.90 2nz5B1 ASP 30 H -0.68 0.16 0.14 -0.55 8.40 7.48 2nz5B1 ASP 30 HA -0.07 0.13 0.40 -0.75 4.63 4.33 2nz5B1 ASP 30 HB2 -0.14 0.22 0.20 -0.04 2.71 2.95 2nz5B1 ASP 30 HB3 -0.19 -0.09 0.18 -0.04 2.70 2.56 2nz5B1 PRO 31 HA 0.04 0.10 0.41 -0.51 4.44 4.48 2nz5B1 PRO 31 HB2 -0.01 0.03 0.01 -0.04 2.28 2.27 2nz5B1 PRO 31 HB3 0.01 0.08 0.11 -0.04 2.02 2.17 2nz5B1 PRO 31 HG2 0.00 -0.04 0.07 -0.04 2.03 2.03 2nz5B1 PRO 31 HG3 -0.01 0.07 0.06 -0.04 2.03 2.11 2nz5B1 PRO 31 HD2 -0.01 0.05 0.21 -0.04 3.68 3.90 2nz5B1 PRO 31 HD3 -0.01 0.29 0.18 -0.04 3.65 4.07 2nz5B1 VAL 32 H -0.02 0.15 -0.18 -0.55 8.24 7.65 2nz5B1 VAL 32 HA -0.15 0.13 0.54 -0.75 4.13 3.91 2nz5B1 VAL 32 HB -0.07 0.02 -0.01 -0.04 2.12 2.02 2nz5B1 VAL 32 HG13 -0.44 0.02 -0.02 -0.04 0.97 0.49 2nz5B1 VAL 32 HG23 0.00 0.01 -0.02 -0.04 0.95 0.90 2nz5B1 LEU 33 H -0.13 0.15 -0.32 -0.55 8.37 7.53 2nz5B1 LEU 33 HA -0.64 0.09 0.46 -0.75 4.35 3.50 2nz5B1 LEU 33 HB2 0.04 -0.00 0.04 -0.04 1.64 1.67 2nz5B1 LEU 33 HB3 -0.11 0.15 0.03 -0.04 1.64 1.66 2nz5B1 LEU 33 HG -0.12 -0.02 -0.03 -0.04 1.64 1.43 2nz5B1 LEU 33 HD13 0.02 -0.01 -0.06 -0.04 0.93 0.84 2nz5B1 LEU 33 HD23 0.24 -0.01 -0.20 -0.04 0.89 0.88 2nz5B1 ALA 34 H 0.04 0.34 -0.25 -0.55 8.40 7.99 2nz5B1 ALA 34 HA 0.10 0.06 0.32 -0.75 4.34 4.06 2nz5B1 ALA 34 HB3 0.06 0.06 0.02 -0.04 1.41 1.50 2nz5B1 GLU 35 H -0.09 0.21 -0.48 -0.55 8.60 7.70 2nz5B1 GLU 35 HA -0.06 0.04 0.32 -0.75 4.29 3.84 2nz5B1 GLU 35 HB2 -0.18 0.14 0.16 -0.04 2.09 2.18 2nz5B1 GLU 35 HB3 -0.10 -0.02 -0.00 -0.04 1.99 1.82 2nz5B1 GLU 35 HG2 -0.09 0.31 0.24 -0.04 2.34 2.76 2nz5B1 GLU 35 HG3 -0.10 -0.04 0.08 -0.04 2.34 2.24 2nz5B1 LEU 36 H -0.22 0.37 -0.07 -0.55 8.37 7.90 2nz5B1 LEU 36 HA -0.11 0.00 0.30 -0.75 4.35 3.79 2nz5B1 LEU 36 HB2 -0.30 0.06 0.04 -0.04 1.64 1.40 2nz5B1 LEU 36 HB3 -0.14 -0.00 -0.10 -0.04 1.64 1.35 2nz5B1 LEU 36 HG -0.18 -0.01 -0.06 -0.04 1.64 1.34 2nz5B1 LEU 36 HD13 -0.24 0.05 0.02 -0.04 0.93 0.71 2nz5B1 LEU 36 HD23 -0.69 0.01 -0.11 -0.04 0.89 0.06 2nz5B1 MET 37 H -0.07 0.41 -0.54 -0.55 8.47 7.72 2nz5B1 MET 37 HA -0.00 -0.01 0.34 -0.75 4.52 4.09 2nz5B1 MET 37 HB2 -0.01 0.20 0.04 -0.04 2.15 2.34 2nz5B1 MET 37 HB3 0.01 -0.06 -0.04 -0.04 2.03 1.90 2nz5B1 MET 37 HG2 0.06 -0.07 -0.04 -0.04 2.63 2.54 2nz5B1 MET 37 HG3 0.03 0.10 -0.01 -0.04 2.56 2.64 2nz5B1 MET 37 HE3 0.01 0.02 -0.03 -0.04 2.10 2.06 2nz5B1 ARG 38 H -0.04 0.61 -0.18 -0.55 8.46 8.30 2nz5B1 ARG 38 HA -0.02 0.03 0.59 -0.75 4.34 4.19 2nz5B1 ARG 38 HB2 -0.04 0.09 0.10 -0.04 1.90 2.01 2nz5B1 ARG 38 HB3 -0.02 -0.11 0.08 -0.04 1.80 1.71 2nz5B1 ARG 38 HG2 -0.03 -0.08 -0.03 -0.04 1.67 1.49 2nz5B1 ARG 38 HG3 -0.03 0.48 0.14 -0.04 1.67 2.21 2nz5B1 ARG 38 HD2 -0.02 -0.07 -0.01 -0.04 3.22 3.08 2nz5B1 ARG 38 HD3 -0.03 -0.05 -0.04 -0.04 3.22 3.06 2nz5B1 GLU 39 H -0.04 0.24 -0.25 -0.55 8.60 8.01 2nz5B1 GLU 39 HA -0.03 -0.00 0.45 -0.75 4.29 3.95 2nz5B1 GLU 39 HB2 -0.05 -0.08 -0.01 -0.04 2.09 1.91 2nz5B1 GLU 39 HB3 -0.04 0.15 0.09 -0.04 1.99 2.15 2nz5B1 GLU 39 HG2 -0.02 0.02 -0.12 -0.04 2.34 2.18 2nz5B1 GLU 39 HG3 -0.03 -0.05 0.05 -0.04 2.34 2.27 2nz5B1 GLY 40 H -0.01 0.44 -0.16 -0.55 8.43 8.16 2nz5B1 GLY 40 HA2 -0.03 0.04 0.28 -0.51 4.01 3.79 2nz5B1 GLY 40 HA3 -0.02 0.08 0.45 -0.51 4.01 4.02 2nz5B1 PRO 41 HA 0.05 0.00 0.51 -0.51 4.44 4.49 2nz5B1 PRO 41 HB2 0.15 -0.07 0.11 -0.04 2.28 2.43 2nz5B1 PRO 41 HB3 0.02 -0.02 0.16 -0.04 2.02 2.14 2nz5B1 PRO 41 HG2 -0.15 0.10 0.06 -0.04 2.03 2.00 2nz5B1 PRO 41 HG3 -0.52 0.06 0.12 -0.04 2.03 1.65 2nz5B1 PRO 41 HD2 -0.09 0.17 0.25 -0.04 3.68 3.97 2nz5B1 PRO 41 HD3 -0.10 0.11 0.18 -0.04 3.65 3.80 2nz5B1 LEU 42 H 0.03 0.22 -0.45 -0.55 8.37 7.63 2nz5B1 LEU 42 HA 0.12 0.25 0.72 -0.75 4.35 4.69 2nz5B1 LEU 42 HB2 -0.04 -0.01 -0.07 -0.04 1.64 1.47 2nz5B1 LEU 42 HB3 -0.02 0.01 -0.13 -0.04 1.64 1.46 2nz5B1 LEU 42 HG 0.01 -0.00 -0.03 -0.04 1.64 1.57 2nz5B1 LEU 42 HD13 0.02 0.12 -0.36 -0.04 0.93 0.67 2nz5B1 LEU 42 HD23 -0.36 -0.01 -0.10 -0.04 0.89 0.37 2nz5B1 THR 43 H 0.28 0.36 0.25 -0.55 8.28 8.62 2nz5B1 THR 43 HA 0.20 0.20 0.84 -0.75 4.39 4.87 2nz5B1 THR 43 HB 0.05 -0.04 -0.11 -0.04 4.32 4.18 2nz5B1 THR 43 HG23 -0.04 0.03 0.03 -0.04 1.22 1.20 2nz5B1 ARG 44 H -0.10 0.30 0.12 -0.55 8.46 8.23 2nz5B1 ARG 44 HA -0.14 0.34 1.02 -0.75 4.34 4.80 2nz5B1 ARG 44 HB2 -0.52 0.13 -0.02 -0.04 1.90 1.45 2nz5B1 ARG 44 HB3 -0.72 -0.07 -0.04 -0.04 1.80 0.92 2nz5B1 ARG 44 HG2 -2.09 -0.02 -0.24 -0.04 1.67 -0.73 2nz5B1 ARG 44 HG3 -0.88 0.02 -0.16 -0.04 1.67 0.61 2nz5B1 ARG 44 HD2 -3.18 -0.06 -0.12 -0.04 3.22 -0.18 2nz5B1 ARG 44 HD3 -1.92 -0.05 -0.11 -0.04 3.22 1.11 2nz5B1 VAL 45 H 0.15 0.72 0.35 -0.55 8.24 8.91 2nz5B1 VAL 45 HA 0.05 0.19 1.16 -0.75 4.13 4.78 2nz5B1 VAL 45 HB 0.28 0.04 -0.10 -0.04 2.12 2.31 2nz5B1 VAL 45 HG13 0.06 -0.01 -0.31 -0.04 0.97 0.67 2nz5B1 VAL 45 HG23 0.24 0.01 -0.18 -0.04 0.95 0.98 2nz5B1 ARG 46 H 0.11 0.84 0.25 -0.55 8.46 9.10 2nz5B1 ARG 46 HA 0.10 0.18 0.92 -0.75 4.34 4.78 2nz5B1 ARG 46 HB2 0.09 -0.08 -0.15 -0.04 1.90 1.72 2nz5B1 ARG 46 HB3 0.05 -0.09 -0.04 -0.04 1.80 1.69 2nz5B1 ARG 46 HG2 0.01 0.16 -0.32 -0.04 1.67 1.48 2nz5B1 ARG 46 HG3 0.04 0.12 -0.08 -0.04 1.67 1.72 2nz5B1 ARG 46 HD2 0.01 -0.07 -0.10 -0.04 3.22 3.02 2nz5B1 ARG 46 HD3 0.02 0.02 -0.10 -0.04 3.22 3.12 2nz5B1 LEU 47 H 0.01 0.13 -0.01 -0.55 8.37 7.96 2nz5B1 LEU 47 HA -0.07 0.19 0.56 -0.75 4.35 4.28 2nz5B1 LEU 47 HB2 -0.09 0.09 -0.14 -0.04 1.64 1.46 2nz5B1 LEU 47 HB3 -0.20 0.01 -0.21 -0.04 1.64 1.19 2nz5B1 LEU 47 HG -0.05 -0.03 -0.25 -0.04 1.64 1.27 2nz5B1 LEU 47 HD13 -0.42 0.02 -0.34 -0.04 0.93 0.15 2nz5B1 LEU 47 HD23 -0.19 -0.01 -0.22 -0.04 0.89 0.43 2nz5B1 PRO 48 HA -0.25 -0.01 0.38 -0.51 4.44 4.04 2nz5B1 PRO 48 HB2 -0.37 0.12 0.07 -0.04 2.28 2.07 2nz5B1 PRO 48 HB3 -0.38 -0.07 0.10 -0.04 2.02 1.63 2nz5B1 PRO 48 HG2 -0.19 -0.04 0.06 -0.04 2.03 1.82 2nz5B1 PRO 48 HG3 -0.17 -0.05 0.08 -0.04 2.03 1.85 2nz5B1 PRO 48 HD2 -0.22 0.05 0.22 -0.04 3.68 3.69 2nz5B1 PRO 48 HD3 -0.22 0.32 0.26 -0.04 3.65 3.97 2nz5B1 HIS 49 H -0.12 0.47 -0.24 -0.55 8.41 7.98 2nz5B1 HIS 49 HA -0.03 0.19 0.84 -0.75 4.63 4.87 2nz5B1 HIS 49 HB2 -0.05 0.10 -0.37 -0.04 3.26 2.90 2nz5B1 HIS 49 HB3 -0.04 -0.08 0.10 -0.04 3.20 3.14 2nz5B1 HIS 49 HD2 -0.08 0.24 -0.42 -0.04 6.97 6.67 2nz5B1 HIS 49 HE1 -0.05 -0.07 -0.02 -0.04 7.75 7.57 2nz5B1 GLY 50 H 0.11 0.07 0.14 -0.55 8.43 8.20 2nz5B1 GLY 50 HA2 0.02 0.00 0.32 -0.51 4.01 3.84 2nz5B1 GLY 50 HA3 0.00 0.19 0.59 -0.51 4.01 4.28 2nz5B1 GLU 51 H -0.03 0.64 0.15 -0.55 8.60 8.82 2nz5B1 GLU 51 HA -0.01 0.16 0.93 -0.75 4.29 4.61 2nz5B1 GLU 51 HB2 -0.04 -0.00 0.02 -0.04 2.09 2.02 2nz5B1 GLU 51 HB3 -0.02 -0.07 0.04 -0.04 1.99 1.90 2nz5B1 GLU 51 HG2 0.00 0.05 -0.14 -0.04 2.34 2.21 2nz5B1 GLU 51 HG3 -0.00 -0.05 -0.24 -0.04 2.34 2.01 2nz5B1 GLY 52 H -0.01 0.08 0.13 -0.55 8.43 8.07 2nz5B1 GLY 52 HA2 -0.04 -0.04 0.36 -0.51 4.01 3.78 2nz5B1 GLY 52 HA3 -0.22 0.12 0.61 -0.51 4.01 4.01 2nz5B1 TRP 53 H -0.82 0.08 0.20 -0.55 7.97 6.89 2nz5B1 TRP 53 HA -0.04 0.30 0.95 -0.75 4.62 5.08 2nz5B1 TRP 53 HB2 -0.15 -0.01 0.05 -0.04 3.23 3.09 2nz5B1 TRP 53 HB3 -0.09 -0.04 -0.12 -0.04 3.23 2.94 2nz5B1 TRP 53 HD1 -0.08 -0.03 -0.02 -0.04 7.22 7.04 2nz5B1 TRP 53 HE1 -0.08 -0.01 -0.01 -0.04 10.20 10.06 2nz5B1 TRP 53 HE3 -0.45 0.04 -0.35 -0.04 7.59 6.80 2nz5B1 TRP 53 HZ2 -0.08 -0.01 -0.02 -0.04 7.44 7.28 2nz5B1 TRP 53 HZ3 -1.56 -0.01 -0.14 -0.04 7.13 5.37 2nz5B1 TRP 53 HH2 -0.11 -0.02 -0.03 -0.04 7.19 6.99 2nz5B1 ALA 54 H 0.35 0.43 0.38 -0.55 8.40 9.02 2nz5B1 ALA 54 HA -0.04 0.14 0.72 -0.75 4.34 4.41 2nz5B1 ALA 54 HB3 0.22 -0.00 -0.06 -0.04 1.41 1.52 2nz5B1 TRP 55 H 0.39 0.67 0.37 -0.55 7.97 8.85 2nz5B1 TRP 55 HA 0.25 0.26 0.79 -0.75 4.62 5.17 2nz5B1 TRP 55 HB2 0.19 0.05 0.20 -0.04 3.23 3.63 2nz5B1 TRP 55 HB3 0.15 -0.06 0.02 -0.04 3.23 3.30 2nz5B1 TRP 55 HD1 0.26 0.08 -0.09 -0.04 7.22 7.43 2nz5B1 TRP 55 HE1 0.36 -0.04 0.01 -0.04 10.20 10.49 2nz5B1 TRP 55 HE3 0.08 0.06 -0.19 -0.04 7.59 7.50 2nz5B1 TRP 55 HZ2 0.05 0.02 0.00 -0.04 7.44 7.48 2nz5B1 TRP 55 HZ3 -0.03 0.07 -0.30 -0.04 7.13 6.82 2nz5B1 TRP 55 HH2 -0.07 -0.01 -0.05 -0.04 7.19 7.03 2nz5B1 LEU 56 H 0.49 0.33 0.27 -0.55 8.37 8.91 2nz5B1 LEU 56 HA 0.26 0.30 0.88 -0.75 4.35 5.03 2nz5B1 LEU 56 HB2 0.26 0.02 -0.24 -0.04 1.64 1.63 2nz5B1 LEU 56 HB3 0.18 -0.01 -0.03 -0.04 1.64 1.74 2nz5B1 LEU 56 HG 0.10 -0.02 -0.50 -0.04 1.64 1.18 2nz5B1 LEU 56 HD13 0.19 0.02 -0.28 -0.04 0.93 0.82 2nz5B1 LEU 56 HD23 0.07 -0.01 -0.21 -0.04 0.89 0.70 2nz5B1 ALA 57 H 0.10 0.63 0.27 -0.55 8.40 8.86 2nz5B1 ALA 57 HA 0.07 0.23 0.76 -0.75 4.34 4.65 2nz5B1 ALA 57 HB3 -0.01 -0.04 0.02 -0.04 1.41 1.34 2nz5B1 THR 58 H 0.07 0.29 0.26 -0.55 8.28 8.35 2nz5B1 THR 58 HA 0.06 0.12 0.87 -0.75 4.39 4.69 2nz5B1 THR 58 HB 0.05 0.10 -0.16 -0.04 4.32 4.26 2nz5B1 THR 58 HG23 0.05 -0.00 -0.12 -0.04 1.22 1.11 2nz5B1 ARG 59 H 0.08 0.05 0.19 -0.55 8.46 8.24 2nz5B1 ARG 59 HA 0.12 0.23 0.59 -0.75 4.34 4.52 2nz5B1 ARG 59 HB2 0.15 0.07 0.22 -0.04 1.90 2.30 2nz5B1 ARG 59 HB3 0.10 -0.24 -0.03 -0.04 1.80 1.58 2nz5B1 ARG 59 HG2 0.20 0.02 0.06 -0.04 1.67 1.91 2nz5B1 ARG 59 HG3 0.12 -0.05 0.10 -0.04 1.67 1.80 2nz5B1 ARG 59 HD2 0.09 0.08 -0.11 -0.04 3.22 3.25 2nz5B1 ARG 59 HD3 0.10 0.00 0.02 -0.04 3.22 3.30 2nz5B1 TYR 60 H 0.23 0.21 0.18 -0.55 8.29 8.37 2nz5B1 TYR 60 HA 0.11 0.10 0.35 -0.75 4.56 4.36 2nz5B1 TYR 60 HB2 0.12 0.18 0.19 -0.04 3.06 3.51 2nz5B1 TYR 60 HB3 0.03 -0.12 0.14 -0.04 2.98 3.00 2nz5B1 TYR 60 HD2 0.16 0.04 -0.18 -0.04 7.15 7.13 2nz5B1 TYR 60 HE2 0.16 0.05 -0.07 -0.04 6.85 6.95 2nz5B1 ASP 61 H 0.18 0.12 -0.04 -0.55 8.40 8.11 2nz5B1 ASP 61 HA 0.06 0.12 0.34 -0.75 4.63 4.39 2nz5B1 ASP 61 HB2 -0.05 -0.07 0.05 -0.04 2.71 2.61 2nz5B1 ASP 61 HB3 -0.03 0.05 -0.03 -0.04 2.70 2.65 2nz5B1 ASP 62 H -0.02 0.04 -0.30 -0.55 8.40 7.58 2nz5B1 ASP 62 HA -0.06 0.02 0.38 -0.75 4.63 4.22 2nz5B1 ASP 62 HB2 0.02 0.08 0.10 -0.04 2.71 2.87 2nz5B1 ASP 62 HB3 -0.00 0.03 0.01 -0.04 2.70 2.69 2nz5B1 VAL 63 H -0.03 0.72 -0.18 -0.55 8.24 8.20 2nz5B1 VAL 63 HA -0.09 -0.04 0.31 -0.75 4.13 3.56 2nz5B1 VAL 63 HB -0.08 0.13 0.06 -0.04 2.12 2.19 2nz5B1 VAL 63 HG13 -0.03 -0.02 -0.29 -0.04 0.97 0.59 2nz5B1 VAL 63 HG23 -0.03 0.01 -0.25 -0.04 0.95 0.63 2nz5B1 LYS 64 H -0.18 0.75 -0.05 -0.55 8.42 8.38 2nz5B1 LYS 64 HA -0.04 0.01 0.28 -0.75 4.32 3.81 2nz5B1 LYS 64 HB2 -0.40 0.01 0.02 -0.04 1.87 1.46 2nz5B1 LYS 64 HB3 -0.13 0.03 0.04 -0.04 1.79 1.69 2nz5B1 LYS 64 HG2 -0.02 -0.01 -0.18 -0.04 1.46 1.22 2nz5B1 LYS 64 HG3 -0.04 -0.03 -0.01 -0.04 1.46 1.34 2nz5B1 LYS 64 HD2 -0.01 0.04 -0.07 -0.04 1.69 1.60 2nz5B1 LYS 64 HD3 0.07 -0.03 -0.08 -0.04 1.68 1.60 2nz5B1 LYS 64 HE2 0.09 0.00 -0.05 -0.04 2.99 3.00 2nz5B1 LYS 64 HE3 0.04 -0.02 -0.06 -0.04 2.99 2.90 2nz5B1 ALA 65 H -0.06 0.38 -0.49 -0.55 8.40 7.68 2nz5B1 ALA 65 HA -0.01 0.05 0.44 -0.75 4.34 4.07 2nz5B1 ALA 65 HB3 -0.03 -0.00 0.09 -0.04 1.41 1.43 2nz5B1 ILE 66 H -0.11 0.55 0.10 -0.55 8.25 8.24 2nz5B1 ILE 66 HA -0.28 -0.04 0.35 -0.75 4.18 3.46 2nz5B1 ILE 66 HB -0.25 0.06 0.09 -0.04 1.89 1.74 2nz5B1 ILE 66 HG12 -0.37 -0.07 0.01 -0.04 1.49 1.01 2nz5B1 ILE 66 HG13 -0.17 0.24 0.13 -0.04 1.21 1.37 2nz5B1 ILE 66 HG23 -1.01 -0.00 -0.20 -0.04 0.93 -0.32 2nz5B1 ILE 66 HD13 -0.21 -0.02 -0.11 -0.04 0.88 0.49 2nz5B1 THR 67 H -0.09 0.45 -0.25 -0.55 8.28 7.84 2nz5B1 THR 67 HA -0.04 -0.01 0.32 -0.75 4.39 3.91 2nz5B1 THR 67 HB 0.05 -0.06 0.07 -0.04 4.32 4.35 2nz5B1 THR 67 HG23 0.05 -0.02 -0.15 -0.04 1.22 1.06 2nz5B1 ASN 68 H 0.00 0.63 -0.59 -0.55 8.53 8.03 2nz5B1 ASN 68 HA 0.05 0.10 1.03 -0.75 4.76 5.19 2nz5B1 ASN 68 HB2 0.02 0.06 -0.12 -0.04 2.88 2.79 2nz5B1 ASN 68 HB3 0.03 0.01 0.10 -0.04 2.79 2.88 2nz5B1 ASN 68 HD21 0.06 -0.07 0.09 -0.04 7.03 7.07 2nz5B1 ASN 68 HD22 0.07 0.03 0.29 -0.04 7.74 8.08 2nz5B1 ASP 69 H 0.09 0.56 0.03 -0.55 8.40 8.53 2nz5B1 ASP 69 HA 0.10 0.20 1.02 -0.75 4.63 5.19 2nz5B1 ASP 69 HB2 0.12 0.04 -0.01 -0.04 2.71 2.82 2nz5B1 ASP 69 HB3 0.26 0.06 0.19 -0.04 2.70 3.17 2nz5B1 PRO 70 HA 0.11 0.11 0.38 -0.51 4.44 4.53 2nz5B1 PRO 70 HB2 0.03 -0.00 0.04 -0.04 2.28 2.30 2nz5B1 PRO 70 HB3 0.02 -0.01 0.13 -0.04 2.02 2.12 2nz5B1 PRO 70 HG2 0.02 0.02 0.10 -0.04 2.03 2.13 2nz5B1 PRO 70 HG3 0.03 0.03 0.08 -0.04 2.03 2.14 2nz5B1 PRO 70 HD2 0.06 0.05 0.25 -0.04 3.68 3.99 2nz5B1 PRO 70 HD3 0.08 0.45 0.29 -0.04 3.65 4.43 2nz5B1 ARG 71 H 0.10 0.02 -0.71 -0.55 8.46 7.31 2nz5B1 ARG 71 HA -0.05 0.04 0.46 -0.75 4.34 4.04 2nz5B1 ARG 71 HB2 -0.02 0.02 0.01 -0.04 1.90 1.87 2nz5B1 ARG 71 HB3 -0.29 -0.04 0.01 -0.04 1.80 1.44 2nz5B1 ARG 71 HG2 -0.05 -0.00 0.04 -0.04 1.67 1.61 2nz5B1 ARG 71 HG3 -0.00 -0.04 -0.01 -0.04 1.67 1.59 2nz5B1 ARG 71 HD2 -0.09 0.12 0.01 -0.04 3.22 3.22 2nz5B1 ARG 71 HD3 -0.03 -0.01 0.02 -0.04 3.22 3.17 2nz5B1 PHE 72 H 0.30 0.66 -0.08 -0.55 8.34 8.66 2nz5B1 PHE 72 HA 0.03 0.18 1.03 -0.75 4.62 5.10 2nz5B1 PHE 72 HB2 0.04 0.17 0.08 -0.04 3.15 3.39 2nz5B1 PHE 72 HB3 0.02 -0.05 -0.11 -0.04 3.06 2.88 2nz5B1 PHE 72 HD2 0.02 0.05 -0.21 -0.04 7.28 7.09 2nz5B1 PHE 72 HE2 0.00 -0.00 -0.13 -0.04 7.38 7.21 2nz5B1 PHE 72 HZ -0.03 -0.03 -0.15 -0.04 7.32 7.06 2nz5B1 GLY 73 H 0.13 0.47 0.35 -0.55 8.43 8.82 2nz5B1 GLY 73 HA2 0.16 0.25 0.99 -0.51 4.01 4.90 2nz5B1 GLY 73 HA3 0.11 -0.04 0.34 -0.51 4.01 3.90 2nz5B1 ARG 74 H 0.18 0.07 0.19 -0.55 8.46 8.35 2nz5B1 ARG 74 HA 0.09 0.27 0.88 -0.75 4.34 4.83 2nz5B1 ARG 74 HB2 0.15 -0.01 0.05 -0.04 1.90 2.05 2nz5B1 ARG 74 HB3 0.16 -0.03 -0.08 -0.04 1.80 1.81 2nz5B1 ARG 74 HG2 -0.45 0.46 0.19 -0.04 1.67 1.84 2nz5B1 ARG 74 HG3 -0.15 -0.14 0.09 -0.04 1.67 1.43 2nz5B1 ARG 74 HD2 -0.08 0.16 0.14 -0.04 3.22 3.41 2nz5B1 ARG 74 HD3 -0.15 -0.10 -0.05 -0.04 3.22 2.88 2nz5B1 ALA 75 H 0.16 -0.04 0.11 -0.55 8.40 8.08 2nz5B1 ALA 75 HA 0.20 0.27 0.47 -0.75 4.34 4.53 2nz5B1 ALA 75 HB3 0.10 -0.00 0.12 -0.04 1.41 1.59 2nz5B1 GLU 76 H 0.10 0.03 -0.37 -0.55 8.60 7.82 2nz5B1 GLU 76 HA 0.05 0.13 0.41 -0.75 4.29 4.13 2nz5B1 GLU 76 HB2 0.06 -0.05 -0.07 -0.04 2.09 1.99 2nz5B1 GLU 76 HB3 0.03 0.08 -0.12 -0.04 1.99 1.94 2nz5B1 GLU 76 HG2 0.04 -0.06 -0.05 -0.04 2.34 2.23 2nz5B1 GLU 76 HG3 0.02 0.04 -0.04 -0.04 2.34 2.32 2nz5B1 VAL 77 H 0.14 0.36 -0.44 -0.55 8.24 7.75 2nz5B1 VAL 77 HA 0.02 0.05 0.31 -0.75 4.13 3.76 2nz5B1 VAL 77 HB 0.33 0.11 -0.01 -0.04 2.12 2.51 2nz5B1 VAL 77 HG13 -0.11 -0.03 -0.11 -0.04 0.97 0.69 2nz5B1 VAL 77 HG23 0.05 0.03 -0.19 -0.04 0.95 0.79 2nz5B1 THR 78 H 0.13 0.26 -0.22 -0.55 8.28 7.89 2nz5B1 THR 78 HA 0.15 0.04 0.35 -0.75 4.39 4.17 2nz5B1 THR 78 HB -0.16 0.00 0.04 -0.04 4.32 4.16 2nz5B1 THR 78 HG23 -0.25 -0.01 0.07 -0.04 1.22 0.98 2nz5B1 GLN 79 H 0.05 0.12 -0.51 -0.55 8.47 7.59 2nz5B1 GLN 79 HA 0.02 0.09 0.49 -0.75 4.36 4.21 2nz5B1 GLN 79 HB2 0.03 -0.05 0.08 -0.04 2.15 2.17 2nz5B1 GLN 79 HB3 0.02 0.04 0.07 -0.04 2.02 2.11 2nz5B1 GLN 79 HG2 0.01 -0.06 0.05 -0.04 2.40 2.36 2nz5B1 GLN 79 HG3 0.01 -0.00 0.13 -0.04 2.39 2.49 2nz5B1 GLN 79 HE21 -0.01 -0.02 -0.01 -0.04 6.97 6.89 2nz5B1 GLN 79 HE22 -0.00 -0.00 0.03 -0.04 7.69 7.67 2nz5B1 ARG 80 H 0.09 0.48 -0.65 -0.55 8.46 7.84 2nz5B1 ARG 80 HA 0.01 0.15 0.81 -0.75 4.34 4.56 2nz5B1 ARG 80 HB2 -0.02 0.02 0.04 -0.04 1.90 1.89 2nz5B1 ARG 80 HB3 -0.04 -0.31 0.20 -0.04 1.80 1.61 2nz5B1 ARG 80 HG2 -0.01 0.03 0.00 -0.04 1.67 1.65 2nz5B1 ARG 80 HG3 0.01 0.02 -0.66 -0.04 1.67 0.99 2nz5B1 ARG 80 HD2 -0.01 -0.03 -0.05 -0.04 3.22 3.08 2nz5B1 ARG 80 HD3 -0.02 -0.03 -0.12 -0.04 3.22 3.02 2nz5B1 GLN 81 H -0.05 0.10 0.09 -0.55 8.47 8.07 2nz5B1 GLN 81 HA -0.05 0.24 0.78 -0.75 4.36 4.58 2nz5B1 GLN 81 HB2 -0.02 -0.04 0.07 -0.04 2.15 2.12 2nz5B1 GLN 81 HB3 -0.01 -0.07 0.22 -0.04 2.02 2.12 2nz5B1 GLN 81 HG2 0.03 0.03 -0.42 -0.04 2.40 2.00 2nz5B1 GLN 81 HG3 0.02 -0.06 -0.04 -0.04 2.39 2.27 2nz5B1 GLN 81 HE21 0.22 -0.06 0.13 -0.04 6.97 7.22 2nz5B1 GLN 81 HE22 0.15 0.59 0.25 -0.04 7.69 8.64 2nz5B1 ILE 82 H -0.13 0.06 -0.01 -0.55 8.25 7.62 2nz5B1 ILE 82 HA -0.12 0.09 0.40 -0.75 4.18 3.80 2nz5B1 ILE 82 HB -0.14 -0.04 -0.06 -0.04 1.89 1.61 2nz5B1 ILE 82 HG12 -0.12 0.06 0.08 -0.04 1.49 1.47 2nz5B1 ILE 82 HG13 -0.11 -0.08 0.08 -0.04 1.21 1.05 2nz5B1 ILE 82 HG23 -0.05 0.07 -0.03 -0.04 0.93 0.88 2nz5B1 ILE 82 HD13 -0.11 -0.02 -0.09 -0.04 0.88 0.62 2nz5B1 THR 83 H -0.05 0.13 0.04 -0.55 8.28 7.85 2nz5B1 THR 83 HA -0.01 0.13 0.48 -0.75 4.39 4.24 2nz5B1 THR 83 HB -0.00 0.34 -0.14 -0.04 4.32 4.47 2nz5B1 THR 83 HG23 0.08 -0.01 -0.13 -0.04 1.22 1.13 2nz5B1 ARG 84 H -0.00 0.66 0.10 -0.55 8.46 8.66 2nz5B1 ARG 84 HA -0.04 0.12 0.70 -0.75 4.34 4.37 2nz5B1 ARG 84 HB2 0.00 -0.31 0.10 -0.04 1.90 1.66 2nz5B1 ARG 84 HB3 -0.03 0.09 -0.23 -0.04 1.80 1.58 2nz5B1 ARG 84 HG2 -0.00 0.07 -0.27 -0.04 1.67 1.42 2nz5B1 ARG 84 HG3 0.05 0.11 -0.42 -0.04 1.67 1.37 2nz5B1 ARG 84 HD2 0.08 -0.15 -0.16 -0.04 3.22 2.95 2nz5B1 ARG 84 HD3 -0.15 -0.02 -0.17 -0.04 3.22 2.84 2nz5B1 LEU 85 H -0.08 0.06 0.15 -0.55 8.37 7.96 2nz5B1 LEU 85 HA -0.14 0.16 0.70 -0.75 4.35 4.31 2nz5B1 LEU 85 HB2 -0.29 0.03 0.08 -0.04 1.64 1.43 2nz5B1 LEU 85 HB3 -0.13 -0.06 0.13 -0.04 1.64 1.55 2nz5B1 LEU 85 HG -0.08 0.01 -0.40 -0.04 1.64 1.14 2nz5B1 LEU 85 HD13 -0.19 0.01 0.02 -0.04 0.93 0.73 2nz5B1 LEU 85 HD23 -0.18 -0.01 -0.08 -0.04 0.89 0.58 2nz5B1 ALA 86 H 0.02 -0.04 0.02 -0.55 8.40 7.86 2nz5B1 ALA 86 HA 0.01 0.17 0.55 -0.75 4.34 4.32 2nz5B1 ALA 86 HB3 0.06 -0.01 0.06 -0.04 1.41 1.48 2nz5B1 PRO 87 HA -0.84 0.08 0.37 -0.51 4.44 3.54 2nz5B1 PRO 87 HB2 -0.76 -0.00 0.02 -0.04 2.28 1.50 2nz5B1 PRO 87 HB3 -0.74 0.05 0.11 -0.04 2.02 1.40 2nz5B1 PRO 87 HG2 -0.30 -0.11 0.14 -0.04 2.03 1.72 2nz5B1 PRO 87 HG3 -0.23 0.05 0.10 -0.04 2.03 1.91 2nz5B1 PRO 87 HD2 -0.07 0.06 0.23 -0.04 3.68 3.86 2nz5B1 PRO 87 HD3 -0.11 0.20 0.21 -0.04 3.65 3.91 2nz5B1 HIS 88 H -0.10 0.07 -0.11 -0.55 8.41 7.73 2nz5B1 HIS 88 HA 0.01 0.24 0.88 -0.75 4.63 5.01 2nz5B1 HIS 88 HB2 -0.01 -0.03 0.01 -0.04 3.26 3.19 2nz5B1 HIS 88 HB3 -0.01 -0.00 -0.04 -0.04 3.20 3.10 2nz5B1 HIS 88 HD2 -0.03 -0.01 -0.02 -0.04 6.97 6.86 2nz5B1 HIS 88 HE1 -0.04 0.01 -0.05 -0.04 7.75 7.63 2nz5B1 PHE 89 H 0.20 0.22 0.01 -0.55 8.34 8.22 2nz5B1 PHE 89 HA 0.03 0.06 0.72 -0.75 4.62 4.68 2nz5B1 PHE 89 HB2 0.03 0.05 -0.21 -0.04 3.15 2.99 2nz5B1 PHE 89 HB3 0.01 0.05 0.12 -0.04 3.06 3.20 2nz5B1 PHE 89 HD2 0.01 0.03 0.04 -0.04 7.28 7.32 2nz5B1 PHE 89 HE2 0.02 0.06 -0.00 -0.04 7.38 7.42 2nz5B1 PHE 89 HZ -0.40 -0.09 -0.23 -0.04 7.32 6.55 2nz5B1 LYS 90 H -0.21 0.14 -0.09 -0.55 8.42 7.71 2nz5B1 LYS 90 HA -0.34 0.29 0.86 -0.75 4.32 4.38 2nz5B1 LYS 90 HB2 -0.12 -0.06 0.10 -0.04 1.87 1.75 2nz5B1 LYS 90 HB3 -0.14 0.03 0.03 -0.04 1.79 1.67 2nz5B1 LYS 90 HG2 -0.11 0.12 -0.07 -0.04 1.46 1.36 2nz5B1 LYS 90 HG3 -0.08 -0.16 -0.42 -0.04 1.46 0.76 2nz5B1 LYS 90 HD2 -0.15 -0.00 -0.06 -0.04 1.69 1.44 2nz5B1 LYS 90 HD3 -0.11 -0.04 -0.06 -0.04 1.68 1.43 2nz5B1 LYS 90 HE2 -0.09 0.01 -0.03 -0.04 2.99 2.84 2nz5B1 LYS 90 HE3 -0.09 0.04 -0.03 -0.04 2.99 2.87 2nz5B1 PRO 91 HA -0.35 -0.05 0.48 -0.51 4.44 4.01 2nz5B1 PRO 91 HB2 -0.58 0.04 -0.03 -0.04 2.28 1.68 2nz5B1 PRO 91 HB3 -1.18 -0.02 0.05 -0.04 2.02 0.83 2nz5B1 PRO 91 HG2 -0.39 0.03 0.12 -0.04 2.03 1.75 2nz5B1 PRO 91 HG3 -0.61 0.06 0.12 -0.04 2.03 1.56 2nz5B1 PRO 91 HD2 -0.61 0.21 0.15 -0.04 3.68 3.39 2nz5B1 PRO 91 HD3 -2.03 0.09 -0.16 -0.04 3.65 1.51 2nz5B1 ARG 92 H -0.11 0.06 0.19 -0.55 8.46 8.04 2nz5B1 ARG 92 HA -0.10 0.19 0.66 -0.75 4.34 4.33 2nz5B1 ARG 92 HB2 -0.06 -0.06 0.07 -0.04 1.90 1.80 2nz5B1 ARG 92 HB3 -0.08 0.04 0.04 -0.04 1.80 1.77 2nz5B1 ARG 92 HG2 -0.07 0.02 -0.02 -0.04 1.67 1.56 2nz5B1 ARG 92 HG3 -0.08 0.11 0.01 -0.04 1.67 1.67 2nz5B1 ARG 92 HD2 -0.07 -0.01 -0.05 -0.04 3.22 3.05 2nz5B1 ARG 92 HD3 -0.15 -0.08 -0.12 -0.04 3.22 2.84 2nz5B1 PRO 93 HA -0.02 0.02 0.51 -0.51 4.44 4.44 2nz5B1 PRO 93 HB2 -0.03 0.47 0.15 -0.04 2.28 2.82 2nz5B1 PRO 93 HB3 -0.02 -0.02 0.07 -0.04 2.02 2.01 2nz5B1 PRO 93 HG2 -0.04 0.00 0.12 -0.04 2.03 2.07 2nz5B1 PRO 93 HG3 -0.05 0.06 0.07 -0.04 2.03 2.07 2nz5B1 PRO 93 HD2 -0.06 0.06 0.26 -0.04 3.68 3.90 2nz5B1 PRO 93 HD3 -0.07 0.17 0.26 -0.04 3.65 3.97 2nz5B1 GLY 94 H 0.01 0.13 0.10 -0.55 8.43 8.12 2nz5B1 GLY 94 HA2 0.00 0.00 0.24 -0.51 4.01 3.74 2nz5B1 GLY 94 HA3 -0.01 0.16 0.55 -0.51 4.01 4.20 2nz5B1 SER 95 H 0.04 0.26 -0.31 -0.55 8.46 7.91 2nz5B1 SER 95 HA 0.02 0.44 0.49 -0.75 4.49 4.68 2nz5B1 SER 95 HB2 0.11 0.02 0.11 -0.04 3.95 4.15 2nz5B1 SER 95 HB3 0.10 0.15 0.10 -0.04 3.93 4.24 2nz5B1 LEU 96 H -0.02 0.26 0.25 -0.55 8.37 8.31 2nz5B1 LEU 96 HA -0.12 0.05 0.35 -0.75 4.35 3.87 2nz5B1 LEU 96 HB2 -0.08 -0.05 0.12 -0.04 1.64 1.60 2nz5B1 LEU 96 HB3 -0.24 0.06 0.05 -0.04 1.64 1.46 2nz5B1 LEU 96 HG -0.09 0.10 0.13 -0.04 1.64 1.73 2nz5B1 LEU 96 HD13 -0.12 0.00 0.03 -0.04 0.93 0.80 2nz5B1 LEU 96 HD23 -0.26 -0.00 -0.05 -0.04 0.89 0.53 2nz5B1 ALA 97 H 0.01 0.04 -0.27 -0.55 8.40 7.64 2nz5B1 ALA 97 HA -0.07 0.10 0.33 -0.75 4.34 3.95 2nz5B1 ALA 97 HB3 -0.28 -0.00 0.03 -0.04 1.41 1.11 2nz5B1 PHE 98 H 0.21 0.24 -0.36 -0.55 8.34 7.89 2nz5B1 PHE 98 HA 0.09 0.22 0.86 -0.75 4.62 5.03 2nz5B1 PHE 98 HB2 0.05 0.03 0.02 -0.04 3.15 3.21 2nz5B1 PHE 98 HB3 0.08 -0.03 0.08 -0.04 3.06 3.15 2nz5B1 PHE 98 HD2 0.07 0.08 -0.04 -0.04 7.28 7.36 2nz5B1 PHE 98 HE2 0.14 -0.02 -0.06 -0.04 7.38 7.39 2nz5B1 PHE 98 HZ 0.37 -0.03 -0.05 -0.04 7.32 7.57 2nz5B1 ALA 99 H 0.25 0.50 -0.30 -0.55 8.40 8.30 2nz5B1 ALA 99 HA 0.16 0.09 0.90 -0.75 4.34 4.74 2nz5B1 ALA 99 HB3 0.07 0.01 -0.11 -0.04 1.41 1.33 2nz5B1 ASP 100 H 0.13 0.17 0.20 -0.55 8.40 8.35 2nz5B1 ASP 100 HA 0.14 0.28 0.93 -0.75 4.63 5.22 2nz5B1 ASP 100 HB2 0.08 0.05 0.11 -0.04 2.71 2.91 2nz5B1 ASP 100 HB3 0.07 0.08 0.20 -0.04 2.70 3.01 2nz5B1 GLN 101 H -0.06 0.23 0.20 -0.55 8.47 8.29 2nz5B1 GLN 101 HA -0.01 -0.13 0.46 -0.75 4.36 3.92 2nz5B1 GLN 101 HB2 -0.09 0.06 0.14 -0.04 2.15 2.22 2nz5B1 GLN 101 HB3 -0.07 0.07 0.08 -0.04 2.02 2.06 2nz5B1 GLN 101 HG2 -0.37 0.01 0.10 -0.04 2.40 2.10 2nz5B1 GLN 101 HG3 -0.25 0.08 0.06 -0.04 2.39 2.24 2nz5B1 GLN 101 HE21 -0.14 0.07 -0.19 -0.04 6.97 6.67 2nz5B1 GLN 101 HE22 -0.57 0.06 -0.06 -0.04 7.69 7.08 2nz5B1 PRO 102 HA -0.01 -0.01 0.39 -0.51 4.44 4.30 2nz5B1 PRO 102 HB2 0.00 0.09 0.07 -0.04 2.28 2.40 2nz5B1 PRO 102 HB3 -0.00 0.05 0.15 -0.04 2.02 2.17 2nz5B1 PRO 102 HG2 -0.00 0.08 0.07 -0.04 2.03 2.13 2nz5B1 PRO 102 HG3 -0.01 0.02 -0.01 -0.04 2.03 1.99 2nz5B1 PRO 102 HD2 0.01 0.09 0.30 -0.04 3.68 4.04 2nz5B1 PRO 102 HD3 -0.00 0.22 0.19 -0.04 3.65 4.02 2nz5B1 ASP 103 H 0.03 0.35 0.08 -0.55 8.40 8.32 2nz5B1 ASP 103 HA 0.03 0.09 0.54 -0.75 4.63 4.54 2nz5B1 ASP 103 HB2 0.06 0.18 0.24 -0.04 2.71 3.14 2nz5B1 ASP 103 HB3 0.05 -0.03 -0.02 -0.04 2.70 2.67 2nz5B1 HIS 104 H 0.13 0.55 -0.43 -0.55 8.41 8.12 2nz5B1 HIS 104 HA 0.03 0.07 0.22 -0.75 4.63 4.19 2nz5B1 HIS 104 HB2 0.02 0.45 -0.37 -0.04 3.26 3.31 2nz5B1 HIS 104 HB3 -0.06 -0.17 -0.25 -0.04 3.20 2.67 2nz5B1 HIS 104 HD2 -0.27 0.21 0.05 -0.04 6.97 6.92 2nz5B1 HIS 104 HE1 0.00 0.08 -0.00 -0.04 7.75 7.79 2nz5B1 ASN 105 H 0.09 -0.02 -0.66 -0.55 8.53 7.39 2nz5B1 ASN 105 HA 0.14 0.09 0.45 -0.75 4.76 4.68 2nz5B1 ASN 105 HB2 0.00 -0.06 0.02 -0.04 2.88 2.81 2nz5B1 ASN 105 HB3 0.02 0.11 0.06 -0.04 2.79 2.93 2nz5B1 ASN 105 HD21 0.01 -0.01 -0.06 -0.04 7.03 6.92 2nz5B1 ASN 105 HD22 0.01 0.06 -0.12 -0.04 7.74 7.65 2nz5B1 ARG 106 H 0.03 0.36 -0.05 -0.55 8.46 8.26 2nz5B1 ARG 106 HA 0.02 0.02 0.44 -0.75 4.34 4.06 2nz5B1 ARG 106 HB2 0.01 0.02 0.19 -0.04 1.90 2.09 2nz5B1 ARG 106 HB3 0.01 -0.02 0.27 -0.04 1.80 2.03 2nz5B1 ARG 106 HG2 0.01 0.01 -0.18 -0.04 1.67 1.46 2nz5B1 ARG 106 HG3 0.01 -0.05 0.06 -0.04 1.67 1.65 2nz5B1 ARG 106 HD2 0.00 0.37 0.13 -0.04 3.22 3.68 2nz5B1 ARG 106 HD3 0.01 -0.10 0.05 -0.04 3.22 3.14 2nz5B1 LEU 107 H 0.00 0.54 0.04 -0.55 8.37 8.40 2nz5B1 LEU 107 HA -0.01 0.05 0.33 -0.75 4.35 3.97 2nz5B1 LEU 107 HB2 -0.07 0.03 0.01 -0.04 1.64 1.58 2nz5B1 LEU 107 HB3 -0.04 0.03 -0.01 -0.04 1.64 1.59 2nz5B1 LEU 107 HG -0.00 0.04 0.03 -0.04 1.64 1.67 2nz5B1 LEU 107 HD13 -0.01 0.04 -0.20 -0.04 0.93 0.72 2nz5B1 LEU 107 HD23 -0.00 0.01 0.00 -0.04 0.89 0.86 2nz5B1 ARG 108 H -0.02 0.34 -0.45 -0.55 8.46 7.79 2nz5B1 ARG 108 HA -0.03 -0.02 0.39 -0.75 4.34 3.93 2nz5B1 ARG 108 HB2 -0.02 0.16 0.17 -0.04 1.90 2.18 2nz5B1 ARG 108 HB3 0.05 0.15 0.14 -0.04 1.80 2.09 2nz5B1 ARG 108 HG2 0.05 -0.04 -0.09 -0.04 1.67 1.55 2nz5B1 ARG 108 HG3 0.02 -0.11 0.12 -0.04 1.67 1.65 2nz5B1 ARG 108 HD2 0.13 0.04 0.05 -0.04 3.22 3.39 2nz5B1 ARG 108 HD3 0.17 0.01 0.02 -0.04 3.22 3.38 2nz5B1 ARG 109 H 0.02 0.55 -0.22 -0.55 8.46 8.25 2nz5B1 ARG 109 HA 0.03 -0.05 0.45 -0.75 4.34 4.02 2nz5B1 ARG 109 HB2 0.02 0.22 0.11 -0.04 1.90 2.21 2nz5B1 ARG 109 HB3 0.02 -0.07 0.08 -0.04 1.80 1.78 2nz5B1 ARG 109 HG2 0.02 -0.10 0.06 -0.04 1.67 1.61 2nz5B1 ARG 109 HG3 0.02 0.30 0.15 -0.04 1.67 2.09 2nz5B1 ARG 109 HD2 0.01 0.04 0.04 -0.04 3.22 3.28 2nz5B1 ARG 109 HD3 0.01 -0.05 0.03 -0.04 3.22 3.17 2nz5B1 ALA 110 H 0.01 0.49 -0.35 -0.55 8.40 8.01 2nz5B1 ALA 110 HA 0.02 0.13 0.60 -0.75 4.34 4.33 2nz5B1 ALA 110 HB3 0.01 0.03 0.03 -0.04 1.41 1.44 2nz5B1 VAL 111 H 0.05 0.20 -0.36 -0.55 8.24 7.57 2nz5B1 VAL 111 HA 0.08 0.14 0.72 -0.75 4.13 4.31 2nz5B1 VAL 111 HB 0.20 -0.07 -0.04 -0.04 2.12 2.18 2nz5B1 VAL 111 HG13 0.05 0.00 -0.23 -0.04 0.97 0.75 2nz5B1 VAL 111 HG23 0.01 0.04 -0.05 -0.04 0.95 0.91 2nz5B1 ALA 112 H 0.08 0.69 0.27 -0.55 8.40 8.89 2nz5B1 ALA 112 HA 0.24 0.04 0.37 -0.75 4.34 4.22 2nz5B1 ALA 112 HB3 0.07 0.01 0.09 -0.04 1.41 1.54 2nz5B1 GLY 113 H 0.07 0.15 -0.49 -0.55 8.43 7.62 2nz5B1 GLY 113 HA2 0.04 -0.01 0.36 -0.51 4.01 3.89 2nz5B1 GLY 113 HA3 0.02 0.11 0.27 -0.51 4.01 3.90 2nz5B1 ALA 114 H -0.01 0.40 -0.13 -0.55 8.40 8.11 2nz5B1 ALA 114 HA -0.12 0.05 0.57 -0.75 4.34 4.09 2nz5B1 ALA 114 HB3 -0.27 0.07 0.15 -0.04 1.41 1.32 2nz5B1 PHE 115 H 0.11 0.49 -0.51 -0.55 8.34 7.87 2nz5B1 PHE 115 HA -0.02 0.15 0.87 -0.75 4.62 4.86 2nz5B1 PHE 115 HB2 -0.01 0.06 0.11 -0.04 3.15 3.27 2nz5B1 PHE 115 HB3 -0.01 0.07 0.29 -0.04 3.06 3.36 2nz5B1 PHE 115 HD2 -0.03 0.00 -0.06 -0.04 7.28 7.16 2nz5B1 PHE 115 HE2 -0.05 -0.01 -0.08 -0.04 7.38 7.20 2nz5B1 PHE 115 HZ -0.06 -0.02 -0.09 -0.04 7.32 7.11 2nz5B1 THR 116 H 0.03 0.23 -0.11 -0.55 8.28 7.88 2nz5B1 THR 116 HA 0.07 0.20 0.62 -0.75 4.39 4.52 2nz5B1 THR 116 HB 0.02 -0.14 0.17 -0.04 4.32 4.33 2nz5B1 THR 116 HG23 0.04 0.09 0.07 -0.04 1.22 1.38 2nz5B1 VAL 117 H 0.03 0.21 0.18 -0.55 8.24 8.10 2nz5B1 VAL 117 HA 0.02 0.12 0.38 -0.75 4.13 3.89 2nz5B1 VAL 117 HB 0.01 -0.06 0.18 -0.04 2.12 2.22 2nz5B1 VAL 117 HG13 0.01 0.02 -0.10 -0.04 0.97 0.87 2nz5B1 VAL 117 HG23 0.02 0.03 0.09 -0.04 0.95 1.05 2nz5B1 GLY 118 H 0.01 0.12 -0.06 -0.55 8.43 7.96 2nz5B1 GLY 118 HA2 0.00 0.09 0.35 -0.51 4.01 3.94 2nz5B1 GLY 118 HA3 0.00 0.09 0.27 -0.51 4.01 3.86 2nz5B1 ALA 119 H -0.00 0.06 -0.39 -0.55 8.40 7.52 2nz5B1 ALA 119 HA -0.03 0.08 0.51 -0.75 4.34 4.15 2nz5B1 ALA 119 HB3 -0.05 0.04 0.02 -0.04 1.41 1.37 2nz5B1 THR 120 H -0.01 0.58 -0.23 -0.55 8.28 8.08 2nz5B1 THR 120 HA -0.03 0.08 0.49 -0.75 4.39 4.18 2nz5B1 THR 120 HB 0.01 0.07 0.08 -0.04 4.32 4.44 2nz5B1 THR 120 HG23 0.01 0.01 -0.08 -0.04 1.22 1.13 2nz5B1 LYS 121 H 0.00 0.58 -0.03 -0.55 8.42 8.41 2nz5B1 LYS 121 HA 0.01 0.03 0.42 -0.75 4.32 4.03 2nz5B1 LYS 121 HB2 0.01 0.09 0.10 -0.04 1.87 2.03 2nz5B1 LYS 121 HB3 0.00 0.04 -0.02 -0.04 1.79 1.78 2nz5B1 LYS 121 HG2 0.01 0.00 0.03 -0.04 1.46 1.46 2nz5B1 LYS 121 HG3 0.01 -0.01 0.03 -0.04 1.46 1.45 2nz5B1 LYS 121 HD2 0.01 0.00 -0.01 -0.04 1.69 1.64 2nz5B1 LYS 121 HD3 0.01 -0.03 -0.05 -0.04 1.68 1.57 2nz5B1 LYS 121 HE2 0.01 -0.02 -0.02 -0.04 2.99 2.91 2nz5B1 LYS 121 HE3 0.00 -0.00 -0.03 -0.04 2.99 2.92 2nz5B1 ARG 122 H -0.01 0.33 -0.37 -0.55 8.46 7.86 2nz5B1 ARG 122 HA -0.00 0.03 0.44 -0.75 4.34 4.05 2nz5B1 ARG 122 HB2 -0.01 0.13 0.17 -0.04 1.90 2.15 2nz5B1 ARG 122 HB3 -0.02 0.11 0.12 -0.04 1.80 1.97 2nz5B1 ARG 122 HG2 -0.01 -0.01 -0.03 -0.04 1.67 1.57 2nz5B1 ARG 122 HG3 -0.01 -0.04 0.06 -0.04 1.67 1.64 2nz5B1 ARG 122 HD2 -0.02 0.01 -0.01 -0.04 3.22 3.16 2nz5B1 ARG 122 HD3 -0.01 -0.04 -0.01 -0.04 3.22 3.12 2nz5B1 LEU 123 H -0.02 0.25 -0.45 -0.55 8.37 7.60 2nz5B1 LEU 123 HA -0.02 0.03 0.53 -0.75 4.35 4.15 2nz5B1 LEU 123 HB2 -0.05 0.07 0.12 -0.04 1.64 1.74 2nz5B1 LEU 123 HB3 -0.03 0.10 0.22 -0.04 1.64 1.89 2nz5B1 LEU 123 HG -0.02 -0.08 -0.18 -0.04 1.64 1.31 2nz5B1 LEU 123 HD13 -0.04 -0.02 0.06 -0.04 0.93 0.88 2nz5B1 LEU 123 HD23 -0.08 0.00 -0.00 -0.04 0.89 0.77 2nz5B1 ARG 124 H 0.01 0.45 -0.15 -0.55 8.46 8.22 2nz5B1 ARG 124 HA 0.04 -0.06 0.30 -0.75 4.34 3.87 2nz5B1 ARG 124 HB2 0.02 0.09 0.16 -0.04 1.90 2.13 2nz5B1 ARG 124 HB3 0.02 0.13 0.06 -0.04 1.80 1.96 2nz5B1 ARG 124 HG2 0.03 -0.10 -0.05 -0.04 1.67 1.52 2nz5B1 ARG 124 HG3 0.04 -0.01 0.03 -0.04 1.67 1.68 2nz5B1 ARG 124 HD2 0.02 0.03 -0.07 -0.04 3.22 3.15 2nz5B1 ARG 124 HD3 0.02 -0.03 -0.04 -0.04 3.22 3.13 2nz5B1 PRO 125 HA 0.02 0.04 0.50 -0.51 4.44 4.49 2nz5B1 PRO 125 HB2 0.01 0.03 0.04 -0.04 2.28 2.31 2nz5B1 PRO 125 HB3 0.01 -0.00 0.06 -0.04 2.02 2.05 2nz5B1 PRO 125 HG2 0.01 0.06 0.05 -0.04 2.03 2.10 2nz5B1 PRO 125 HG3 0.01 -0.00 0.03 -0.04 2.03 2.02 2nz5B1 PRO 125 HD2 0.01 0.34 -0.34 -0.04 3.68 3.65 2nz5B1 PRO 125 HD3 0.01 0.24 -0.06 -0.04 3.65 3.80 2nz5B1 ARG 126 H 0.01 0.39 -0.07 -0.55 8.46 8.24 2nz5B1 ARG 126 HA 0.02 0.02 0.47 -0.75 4.34 4.10 2nz5B1 ARG 126 HB2 0.01 -0.02 0.12 -0.04 1.90 1.97 2nz5B1 ARG 126 HB3 0.01 0.22 0.21 -0.04 1.80 2.19 2nz5B1 ARG 126 HG2 0.00 0.01 -0.00 -0.04 1.67 1.63 2nz5B1 ARG 126 HG3 0.01 -0.00 -0.26 -0.04 1.67 1.38 2nz5B1 ARG 126 HD2 0.03 -0.08 0.12 -0.04 3.22 3.24 2nz5B1 ARG 126 HD3 0.01 0.00 0.04 -0.04 3.22 3.24 2nz5B1 ALA 127 H 0.04 0.47 -0.17 -0.55 8.40 8.19 2nz5B1 ALA 127 HA 0.12 -0.00 0.37 -0.75 4.34 4.07 2nz5B1 ALA 127 HB3 0.13 0.03 0.02 -0.04 1.41 1.55 2nz5B1 GLN 128 H 0.07 0.60 -0.13 -0.55 8.47 8.46 2nz5B1 GLN 128 HA 0.01 -0.02 0.39 -0.75 4.36 3.99 2nz5B1 GLN 128 HB2 0.02 0.03 0.13 -0.04 2.15 2.28 2nz5B1 GLN 128 HB3 0.02 0.16 0.15 -0.04 2.02 2.32 2nz5B1 GLN 128 HG2 -0.00 -0.01 -0.01 -0.04 2.40 2.34 2nz5B1 GLN 128 HG3 -0.01 -0.02 -0.15 -0.04 2.39 2.17 2nz5B1 GLN 128 HE21 -0.08 0.03 0.02 -0.04 6.97 6.90 2nz5B1 GLN 128 HE22 -0.05 -0.09 0.12 -0.04 7.69 7.62 2nz5B1 GLU 129 H 0.04 0.41 -0.36 -0.55 8.60 8.14 2nz5B1 GLU 129 HA 0.01 0.02 0.42 -0.75 4.29 3.99 2nz5B1 GLU 129 HB2 0.03 0.14 0.21 -0.04 2.09 2.42 2nz5B1 GLU 129 HB3 0.03 -0.01 -0.00 -0.04 1.99 1.96 2nz5B1 GLU 129 HG2 0.01 0.01 0.02 -0.04 2.34 2.34 2nz5B1 GLU 129 HG3 0.01 -0.03 0.01 -0.04 2.34 2.29 2nz5B1 ILE 130 H 0.09 0.46 -0.07 -0.55 8.25 8.18 2nz5B1 ILE 130 HA 0.07 0.01 0.42 -0.75 4.18 3.92 2nz5B1 ILE 130 HB 0.22 0.11 0.17 -0.04 1.89 2.34 2nz5B1 ILE 130 HG12 0.05 -0.04 -0.00 -0.04 1.49 1.46 2nz5B1 ILE 130 HG13 0.06 0.10 0.07 -0.04 1.21 1.40 2nz5B1 ILE 130 HG23 0.16 -0.02 -0.10 -0.04 0.93 0.93 2nz5B1 ILE 130 HD13 0.02 -0.03 -0.15 -0.04 0.88 0.68 2nz5B1 LEU 131 H 0.15 0.65 -0.05 -0.55 8.37 8.57 2nz5B1 LEU 131 HA -0.12 0.01 0.40 -0.75 4.35 3.88 2nz5B1 LEU 131 HB2 -0.66 0.01 0.06 -0.04 1.64 1.01 2nz5B1 LEU 131 HB3 -0.19 0.09 0.12 -0.04 1.64 1.61 2nz5B1 LEU 131 HG -0.30 0.02 -0.19 -0.04 1.64 1.12 2nz5B1 LEU 131 HD13 -0.65 -0.01 -0.02 -0.04 0.93 0.20 2nz5B1 LEU 131 HD23 -0.57 0.00 -0.24 -0.04 0.89 0.04 2nz5B1 ASP 132 H -0.04 0.70 -0.11 -0.55 8.40 8.39 2nz5B1 ASP 132 HA -0.08 -0.01 0.34 -0.75 4.63 4.13 2nz5B1 ASP 132 HB2 -0.02 0.14 0.19 -0.04 2.71 2.97 2nz5B1 ASP 132 HB3 -0.03 -0.06 0.00 -0.04 2.70 2.57 2nz5B1 GLY 133 H -0.00 0.46 -0.38 -0.55 8.43 7.96 2nz5B1 GLY 133 HA2 -0.01 -0.01 0.49 -0.51 4.01 3.98 2nz5B1 GLY 133 HA3 0.01 0.04 0.32 -0.51 4.01 3.88 2nz5B1 LEU 134 H 0.00 0.54 0.03 -0.55 8.37 8.40 2nz5B1 LEU 134 HA 0.00 -0.01 0.50 -0.75 4.35 4.09 2nz5B1 LEU 134 HB2 -0.03 0.09 0.21 -0.04 1.64 1.88 2nz5B1 LEU 134 HB3 -0.00 0.17 0.16 -0.04 1.64 1.93 2nz5B1 LEU 134 HG 0.07 0.09 0.08 -0.04 1.64 1.83 2nz5B1 LEU 134 HD13 0.14 -0.02 -0.05 -0.04 0.93 0.95 2nz5B1 LEU 134 HD23 0.06 0.01 0.01 -0.04 0.89 0.93 2nz5B1 VAL 135 H -0.07 0.53 -0.20 -0.55 8.24 7.95 2nz5B1 VAL 135 HA -0.14 0.01 0.36 -0.75 4.13 3.61 2nz5B1 VAL 135 HB -0.11 0.06 0.08 -0.04 2.12 2.11 2nz5B1 VAL 135 HG13 -0.19 -0.00 -0.14 -0.04 0.97 0.60 2nz5B1 VAL 135 HG23 -0.17 0.04 -0.11 -0.04 0.95 0.68 2nz5B1 ASP 136 H -0.05 0.63 -0.09 -0.55 8.40 8.35 2nz5B1 ASP 136 HA -0.03 0.01 0.39 -0.75 4.63 4.24 2nz5B1 ASP 136 HB2 -0.01 0.13 0.17 -0.04 2.71 2.96 2nz5B1 ASP 136 HB3 -0.00 -0.09 0.02 -0.04 2.70 2.59 2nz5B1 GLY 137 H -0.01 0.44 -0.39 -0.55 8.43 7.92 2nz5B1 GLY 137 HA2 0.02 -0.04 0.39 -0.51 4.01 3.87 2nz5B1 GLY 137 HA3 0.01 0.07 0.32 -0.51 4.01 3.91 2nz5B1 ILE 138 H -0.01 0.47 -0.02 -0.55 8.25 8.14 2nz5B1 ILE 138 HA 0.13 0.00 0.32 -0.75 4.18 3.89 2nz5B1 ILE 138 HB 0.17 -0.00 -0.07 -0.04 1.89 1.94 2nz5B1 ILE 138 HG12 -0.13 0.10 0.14 -0.04 1.49 1.56 2nz5B1 ILE 138 HG13 -0.30 0.09 -0.19 -0.04 1.21 0.77 2nz5B1 ILE 138 HG23 0.02 0.01 -0.03 -0.04 0.93 0.90 2nz5B1 ILE 138 HD13 -0.34 -0.03 -0.14 -0.04 0.88 0.33 2nz5B1 LEU 139 H -0.01 0.51 -0.41 -0.55 8.37 7.91 2nz5B1 LEU 139 HA 0.23 0.04 0.39 -0.75 4.35 4.26 2nz5B1 LEU 139 HB2 -0.02 0.05 0.15 -0.04 1.64 1.78 2nz5B1 LEU 139 HB3 0.01 -0.08 -0.01 -0.04 1.64 1.52 2nz5B1 LEU 139 HG -0.24 0.01 -0.04 -0.04 1.64 1.33 2nz5B1 LEU 139 HD13 -0.12 -0.01 -0.07 -0.04 0.93 0.69 2nz5B1 LEU 139 HD23 -0.08 0.02 0.03 -0.04 0.89 0.83 2nz5B1 ALA 140 H 0.06 0.65 -0.02 -0.55 8.40 8.54 2nz5B1 ALA 140 HA 0.07 -0.03 0.40 -0.75 4.34 4.03 2nz5B1 ALA 140 HB3 0.05 -0.02 0.11 -0.04 1.41 1.50 2nz5B1 GLU 141 H 0.11 0.46 -0.13 -0.55 8.60 8.49 2nz5B1 GLU 141 HA 0.08 -0.06 0.45 -0.75 4.29 4.01 2nz5B1 GLU 141 HB2 0.13 0.12 0.09 -0.04 2.09 2.40 2nz5B1 GLU 141 HB3 0.08 -0.05 0.04 -0.04 1.99 2.01 2nz5B1 GLU 141 HG2 0.05 -0.10 0.03 -0.04 2.34 2.27 2nz5B1 GLU 141 HG3 0.07 0.17 0.07 -0.04 2.34 2.61 2nz5B1 GLY 142 H 0.26 0.42 -0.23 -0.55 8.43 8.33 2nz5B1 GLY 142 HA2 0.26 0.05 0.34 -0.51 4.01 4.15 2nz5B1 GLY 142 HA3 0.10 0.10 0.89 -0.51 4.01 4.59 2nz5B1 PRO 143 HA -3.11 0.00 0.34 -0.51 4.44 1.16 2nz5B1 PRO 143 HB2 -0.40 -0.00 0.06 -0.04 2.28 1.90 2nz5B1 PRO 143 HB3 -0.68 -0.12 0.14 -0.04 2.02 1.32 2nz5B1 PRO 143 HG2 -0.18 -0.08 0.07 -0.04 2.03 1.80 2nz5B1 PRO 143 HG3 -0.78 0.23 0.04 -0.04 2.03 1.49 2nz5B1 PRO 143 HD2 0.04 0.10 0.19 -0.04 3.68 3.97 2nz5B1 PRO 143 HD3 0.17 0.18 0.22 -0.04 3.65 4.18 2nz5B1 PRO 144 HA -0.17 0.43 1.22 -0.51 4.44 5.41 2nz5B1 PRO 144 HB2 -0.06 -0.04 0.15 -0.04 2.28 2.29 2nz5B1 PRO 144 HB3 -0.07 -0.03 0.08 -0.04 2.02 1.95 2nz5B1 PRO 144 HG2 -0.10 -0.02 0.03 -0.04 2.03 1.90 2nz5B1 PRO 144 HG3 -0.17 0.01 -0.07 -0.04 2.03 1.77 2nz5B1 PRO 144 HD2 -0.13 0.15 0.01 -0.04 3.68 3.66 2nz5B1 PRO 144 HD3 -0.25 0.01 -0.04 -0.04 3.65 3.33 2nz5B1 ALA 145 H 0.15 0.60 0.35 -0.55 8.40 8.94 2nz5B1 ALA 145 HA 0.12 0.09 0.76 -0.75 4.34 4.56 2nz5B1 ALA 145 HB3 0.42 0.05 -0.18 -0.04 1.41 1.66 2nz5B1 ASP 146 H 0.08 0.22 0.08 -0.55 8.40 8.23 2nz5B1 ASP 146 HA 0.06 0.12 0.54 -0.75 4.63 4.59 2nz5B1 ASP 146 HB2 0.04 0.09 0.07 -0.04 2.71 2.86 2nz5B1 ASP 146 HB3 0.04 0.06 0.20 -0.04 2.70 2.96 2nz5B1 LEU 147 H 0.06 0.66 0.23 -0.55 8.37 8.78 2nz5B1 LEU 147 HA 0.02 0.08 0.25 -0.75 4.35 3.94 2nz5B1 LEU 147 HB2 0.02 0.03 0.11 -0.04 1.64 1.76 2nz5B1 LEU 147 HB3 -0.01 -0.03 -0.04 -0.04 1.64 1.52 2nz5B1 LEU 147 HG 0.07 0.16 0.09 -0.04 1.64 1.92 2nz5B1 LEU 147 HD13 -0.01 0.01 -0.06 -0.04 0.93 0.83 2nz5B1 LEU 147 HD23 -0.05 -0.01 -0.12 -0.04 0.89 0.67 2nz5B1 VAL 148 H 0.01 0.06 -0.20 -0.55 8.24 7.56 2nz5B1 VAL 148 HA 0.01 0.05 0.35 -0.75 4.13 3.78 2nz5B1 VAL 148 HB -0.01 -0.15 0.03 -0.04 2.12 1.95 2nz5B1 VAL 148 HG13 0.01 0.07 -0.24 -0.04 0.97 0.76 2nz5B1 VAL 148 HG23 -0.04 0.04 -0.29 -0.04 0.95 0.62 2nz5B1 GLU 149 H 0.02 0.04 -0.14 -0.55 8.60 7.98 2nz5B1 GLU 149 HA 0.03 0.07 0.37 -0.75 4.29 4.01 2nz5B1 GLU 149 HB2 0.02 -0.02 0.11 -0.04 2.09 2.16 2nz5B1 GLU 149 HB3 0.03 0.04 0.11 -0.04 1.99 2.12 2nz5B1 GLU 149 HG2 0.03 0.04 -0.11 -0.04 2.34 2.26 2nz5B1 GLU 149 HG3 0.03 -0.01 0.03 -0.04 2.34 2.34 2nz5B1 ARG 150 H 0.03 0.44 -0.20 -0.55 8.46 8.18 2nz5B1 ARG 150 HA 0.04 0.16 0.69 -0.75 4.34 4.47 2nz5B1 ARG 150 HB2 0.03 0.02 -0.10 -0.04 1.90 1.81 2nz5B1 ARG 150 HB3 0.03 0.02 0.05 -0.04 1.80 1.85 2nz5B1 ARG 150 HG2 0.05 -0.01 -0.00 -0.04 1.67 1.66 2nz5B1 ARG 150 HG3 0.06 0.02 -0.04 -0.04 1.67 1.68 2nz5B1 ARG 150 HD2 0.03 0.03 -0.26 -0.04 3.22 2.99 2nz5B1 ARG 150 HD3 0.04 -0.03 -0.07 -0.04 3.22 3.12 2nz5B1 VAL 151 H 0.02 0.41 -0.10 -0.55 8.24 8.02 2nz5B1 VAL 151 HA 0.03 0.17 0.89 -0.75 4.13 4.46 2nz5B1 VAL 151 HB -0.03 -0.00 0.05 -0.04 2.12 2.10 2nz5B1 VAL 151 HG13 -0.11 -0.01 -0.13 -0.04 0.97 0.68 2nz5B1 VAL 151 HG23 -0.07 0.00 -0.32 -0.04 0.95 0.52 2nz5B1 LEU 152 H 0.02 0.43 0.18 -0.55 8.37 8.45 2nz5B1 LEU 152 HA 0.08 0.02 0.30 -0.75 4.35 3.99 2nz5B1 LEU 152 HB2 0.01 0.00 0.10 -0.04 1.64 1.71 2nz5B1 LEU 152 HB3 0.01 0.07 0.06 -0.04 1.64 1.75 2nz5B1 LEU 152 HG 0.00 -0.01 -0.21 -0.04 1.64 1.38 2nz5B1 LEU 152 HD13 0.01 0.02 -0.12 -0.04 0.93 0.79 2nz5B1 LEU 152 HD23 0.01 -0.02 -0.15 -0.04 0.89 0.69 2nz5B1 GLU 153 H 0.03 0.47 -0.10 -0.55 8.60 8.46 2nz5B1 GLU 153 HA -0.02 0.04 0.56 -0.75 4.29 4.11 2nz5B1 GLU 153 HB2 0.02 0.07 -0.00 -0.04 2.09 2.14 2nz5B1 GLU 153 HB3 0.04 0.12 0.10 -0.04 1.99 2.21 2nz5B1 GLU 153 HG2 -0.00 -0.03 -0.04 -0.04 2.34 2.23 2nz5B1 GLU 153 HG3 0.03 -0.01 -0.08 -0.04 2.34 2.23 2nz5B1 PRO 154 HA -0.01 0.02 0.41 -0.51 4.44 4.35 2nz5B1 PRO 154 HB2 0.19 -0.01 -0.07 -0.04 2.28 2.34 2nz5B1 PRO 154 HB3 0.20 0.02 0.03 -0.04 2.02 2.23 2nz5B1 PRO 154 HG2 0.11 0.06 -0.18 -0.04 2.03 1.97 2nz5B1 PRO 154 HG3 0.08 0.14 -0.12 -0.04 2.03 2.09 2nz5B1 PRO 154 HD2 0.06 -0.12 -0.47 -0.04 3.68 3.12 2nz5B1 PRO 154 HD3 0.06 0.34 0.03 -0.04 3.65 4.04 2nz5B1 PHE 155 H 0.19 0.57 -0.24 -0.55 8.34 8.30 2nz5B1 PHE 155 HA 0.00 -0.02 0.36 -0.75 4.62 4.21 2nz5B1 PHE 155 HB2 -0.01 0.02 0.08 -0.04 3.15 3.20 2nz5B1 PHE 155 HB3 -0.01 0.19 0.06 -0.04 3.06 3.26 2nz5B1 PHE 155 HD2 -0.01 0.03 -0.10 -0.04 7.28 7.16 2nz5B1 PHE 155 HE2 -0.01 0.07 -0.00 -0.04 7.38 7.40 2nz5B1 PHE 155 HZ -0.01 -0.03 -0.08 -0.04 7.32 7.16 2nz5B1 PRO 156 HA -0.41 -0.03 0.44 -0.51 4.44 3.94 2nz5B1 PRO 156 HB2 -0.08 0.09 -0.06 -0.04 2.28 2.19 2nz5B1 PRO 156 HB3 -0.09 -0.07 0.10 -0.04 2.02 1.91 2nz5B1 PRO 156 HG2 0.02 0.15 0.03 -0.04 2.03 2.19 2nz5B1 PRO 156 HG3 0.04 -0.08 -0.03 -0.04 2.03 1.91 2nz5B1 PRO 156 HD2 0.05 0.32 -0.35 -0.04 3.68 3.66 2nz5B1 PRO 156 HD3 0.31 0.07 -0.01 -0.04 3.65 3.98 2nz5B1 ILE 157 H -0.13 0.38 -0.39 -0.55 8.25 7.56 2nz5B1 ILE 157 HA -0.14 0.02 0.40 -0.75 4.18 3.71 2nz5B1 ILE 157 HB -0.35 0.13 0.14 -0.04 1.89 1.77 2nz5B1 ILE 157 HG12 -0.16 -0.04 -0.02 -0.04 1.49 1.23 2nz5B1 ILE 157 HG13 -0.14 0.17 0.01 -0.04 1.21 1.20 2nz5B1 ILE 157 HG23 -0.59 -0.01 -0.17 -0.04 0.93 0.12 2nz5B1 ILE 157 HD13 -0.24 -0.00 -0.13 -0.04 0.88 0.47 2nz5B1 ALA 158 H -0.13 0.64 -0.09 -0.55 8.40 8.28 2nz5B1 ALA 158 HA -0.04 -0.00 0.40 -0.75 4.34 3.94 2nz5B1 ALA 158 HB3 0.02 0.02 0.08 -0.04 1.41 1.49 2nz5B1 VAL 159 H -0.30 0.58 -0.03 -0.55 8.24 7.94 2nz5B1 VAL 159 HA -0.12 0.03 0.40 -0.75 4.13 3.68 2nz5B1 VAL 159 HB -0.40 0.06 0.09 -0.04 2.12 1.83 2nz5B1 VAL 159 HG13 -0.13 -0.02 -0.12 -0.04 0.97 0.66 2nz5B1 VAL 159 HG23 -0.54 0.03 0.04 -0.04 0.95 0.43 2nz5B1 VAL 160 H -0.15 0.57 -0.16 -0.55 8.24 7.95 2nz5B1 VAL 160 HA -0.08 -0.02 0.46 -0.75 4.13 3.74 2nz5B1 VAL 160 HB -0.06 0.23 0.19 -0.04 2.12 2.44 2nz5B1 VAL 160 HG13 0.02 -0.00 -0.08 -0.04 0.97 0.87 2nz5B1 VAL 160 HG23 -0.03 -0.04 0.05 -0.04 0.95 0.89 2nz5B1 SER 161 H -0.06 0.55 -0.22 -0.55 8.46 8.18 2nz5B1 SER 161 HA 0.03 -0.04 0.45 -0.75 4.49 4.17 2nz5B1 SER 161 HB2 -0.01 0.16 0.11 -0.04 3.95 4.17 2nz5B1 SER 161 HB3 0.03 -0.09 0.07 -0.04 3.93 3.89 2nz5B1 GLU 162 H -0.05 0.36 -0.55 -0.55 8.60 7.82 2nz5B1 GLU 162 HA -0.00 0.05 0.56 -0.75 4.29 4.14 2nz5B1 GLU 162 HB2 -0.06 0.32 0.26 -0.04 2.09 2.57 2nz5B1 GLU 162 HB3 -0.04 -0.07 0.02 -0.04 1.99 1.86 2nz5B1 GLU 162 HG2 -0.01 0.05 0.00 -0.04 2.34 2.33 2nz5B1 GLU 162 HG3 -0.03 -0.04 0.02 -0.04 2.34 2.25 2nz5B1 VAL 163 H -0.10 0.40 0.07 -0.55 8.24 8.06 2nz5B1 VAL 163 HA -0.16 0.03 0.40 -0.75 4.13 3.64 2nz5B1 VAL 163 HB -0.19 0.07 0.20 -0.04 2.12 2.16 2nz5B1 VAL 163 HG13 -0.70 -0.01 -0.10 -0.04 0.97 0.12 2nz5B1 VAL 163 HG23 -0.19 0.03 0.06 -0.04 0.95 0.82 2nz5B1 MET 164 H -0.10 0.77 -0.05 -0.55 8.47 8.54 2nz5B1 MET 164 HA -0.27 -0.04 0.46 -0.75 4.52 3.92 2nz5B1 MET 164 HB2 -0.06 0.03 0.08 -0.04 2.15 2.16 2nz5B1 MET 164 HB3 -0.71 -0.07 -0.01 -0.04 2.03 1.20 2nz5B1 MET 164 HG2 -0.05 0.23 0.01 -0.04 2.63 2.77 2nz5B1 MET 164 HG3 -0.04 -0.02 -0.08 -0.04 2.56 2.37 2nz5B1 MET 164 HE3 -0.19 -0.01 -0.03 -0.04 2.10 1.83 2nz5B1 GLY 165 H 0.01 0.35 -0.43 -0.55 8.43 7.82 2nz5B1 GLY 165 HA2 0.07 0.10 0.21 -0.51 4.01 3.89 2nz5B1 GLY 165 HA3 0.12 -0.01 0.75 -0.51 4.01 4.36 2nz5B1 VAL 166 H 0.20 0.35 0.11 -0.55 8.24 8.35 2nz5B1 VAL 166 HA 0.56 0.04 0.39 -0.75 4.13 4.37 2nz5B1 VAL 166 HB 0.11 0.07 0.16 -0.04 2.12 2.42 2nz5B1 VAL 166 HG13 -0.00 0.01 -0.21 -0.04 0.97 0.73 2nz5B1 VAL 166 HG23 0.26 -0.02 0.02 -0.04 0.95 1.17 2nz5B1 PRO 167 HA 0.12 0.09 0.44 -0.51 4.44 4.58 2nz5B1 PRO 167 HB2 0.21 -0.10 -0.02 -0.04 2.28 2.33 2nz5B1 PRO 167 HB3 0.12 -0.01 0.10 -0.04 2.02 2.19 2nz5B1 PRO 167 HG2 0.19 0.02 0.06 -0.04 2.03 2.26 2nz5B1 PRO 167 HG3 0.16 0.13 0.08 -0.04 2.03 2.35 2nz5B1 PRO 167 HD2 0.68 0.01 0.17 -0.04 3.68 4.49 2nz5B1 PRO 167 HD3 0.43 0.35 0.28 -0.04 3.65 4.67 2nz5B1 ALA 168 H 0.07 0.16 0.15 -0.55 8.40 8.23 2nz5B1 ALA 168 HA 0.04 0.16 0.38 -0.75 4.34 4.16 2nz5B1 ALA 168 HB3 0.03 0.02 0.10 -0.04 1.41 1.52 2nz5B1 ALA 169 H 0.06 0.12 -0.04 -0.55 8.40 7.99 2nz5B1 ALA 169 HA 0.01 0.09 0.38 -0.75 4.34 4.06 2nz5B1 ALA 169 HB3 0.05 0.02 0.07 -0.04 1.41 1.50 2nz5B1 ASP 170 H 0.06 0.30 -1.00 -0.55 8.40 7.21 2nz5B1 ASP 170 HA -0.08 0.12 0.92 -0.75 4.63 4.84 2nz5B1 ASP 170 HB2 0.18 0.13 -0.03 -0.04 2.71 2.95 2nz5B1 ASP 170 HB3 -0.19 -0.07 0.13 -0.04 2.70 2.53 2nz5B1 ARG 171 H -0.02 0.51 -0.06 -0.55 8.46 8.34 2nz5B1 ARG 171 HA -0.03 0.13 0.47 -0.75 4.34 4.16 2nz5B1 ARG 171 HB2 -0.01 0.06 0.18 -0.04 1.90 2.09 2nz5B1 ARG 171 HB3 0.01 -0.00 -0.05 -0.04 1.80 1.72 2nz5B1 ARG 171 HG2 0.03 0.09 -0.07 -0.04 1.67 1.68 2nz5B1 ARG 171 HG3 0.02 -0.03 0.01 -0.04 1.67 1.62 2nz5B1 ARG 171 HD2 0.03 -0.03 -0.03 -0.04 3.22 3.16 2nz5B1 ARG 171 HD3 0.02 -0.03 -0.04 -0.04 3.22 3.14 2nz5B1 GLU 172 H -0.08 0.15 -0.05 -0.55 8.60 8.07 2nz5B1 GLU 172 HA -0.11 0.13 0.39 -0.75 4.29 3.95 2nz5B1 GLU 172 HB2 -0.09 0.03 0.09 -0.04 2.09 2.08 2nz5B1 GLU 172 HB3 -0.13 -0.01 0.05 -0.04 1.99 1.86 2nz5B1 GLU 172 HG2 -0.14 -0.00 -0.10 -0.04 2.34 2.05 2nz5B1 GLU 172 HG3 -0.14 0.03 0.02 -0.04 2.34 2.21 2nz5B1 ARG 173 H -0.23 0.10 -0.24 -0.55 8.46 7.54 2nz5B1 ARG 173 HA -0.49 0.09 0.38 -0.75 4.34 3.56 2nz5B1 ARG 173 HB2 -0.41 -0.00 0.09 -0.04 1.90 1.54 2nz5B1 ARG 173 HB3 -1.04 0.04 -0.08 -0.04 1.80 0.68 2nz5B1 ARG 173 HG2 -0.74 0.01 -0.00 -0.04 1.67 0.89 2nz5B1 ARG 173 HG3 -0.37 -0.02 0.00 -0.04 1.67 1.24 2nz5B1 ARG 173 HD2 -0.22 0.01 -0.00 -0.04 3.22 2.97 2nz5B1 ARG 173 HD3 -0.19 0.05 0.04 -0.04 3.22 3.09 2nz5B1 VAL 174 H -0.31 0.45 -0.16 -0.55 8.24 7.67 2nz5B1 VAL 174 HA 0.21 -0.01 0.40 -0.75 4.13 3.98 2nz5B1 VAL 174 HB -0.20 0.15 0.10 -0.04 2.12 2.13 2nz5B1 VAL 174 HG13 -0.05 -0.01 -0.06 -0.04 0.97 0.82 2nz5B1 VAL 174 HG23 -0.99 -0.01 0.05 -0.04 0.95 -0.03 2nz5B1 HIS 175 H 0.00 0.35 -0.43 -0.55 8.41 7.78 2nz5B1 HIS 175 HA -0.02 0.03 0.38 -0.75 4.63 4.26 2nz5B1 HIS 175 HB2 -0.06 0.23 0.13 -0.04 3.26 3.53 2nz5B1 HIS 175 HB3 -0.08 0.05 0.16 -0.04 3.20 3.29 2nz5B1 HIS 175 HD2 -0.02 -0.02 -0.06 -0.04 6.97 6.83 2nz5B1 HIS 175 HE1 -0.00 0.01 -0.07 -0.04 7.75 7.64 2nz5B1 SER 176 H -0.02 0.62 -0.06 -0.55 8.46 8.46 2nz5B1 SER 176 HA 0.07 0.03 0.36 -0.75 4.49 4.20 2nz5B1 SER 176 HB2 -0.12 0.00 0.10 -0.04 3.95 3.90 2nz5B1 SER 176 HB3 -0.25 0.04 0.16 -0.04 3.93 3.84 2nz5B1 TRP 177 H 0.04 0.63 -0.15 -0.55 7.97 7.93 2nz5B1 TRP 177 HA -0.04 -0.01 0.37 -0.75 4.62 4.18 2nz5B1 TRP 177 HB2 -0.10 0.05 0.18 -0.04 3.23 3.31 2nz5B1 TRP 177 HB3 -0.06 -0.01 -0.05 -0.04 3.23 3.06 2nz5B1 TRP 177 HD1 -0.05 -0.03 0.06 -0.04 7.22 7.17 2nz5B1 TRP 177 HE1 -0.02 -0.00 0.01 -0.04 10.20 10.14 2nz5B1 TRP 177 HE3 -0.31 0.02 -0.12 -0.04 7.59 7.15 2nz5B1 TRP 177 HZ2 0.03 0.01 -0.07 -0.04 7.44 7.37 2nz5B1 TRP 177 HZ3 -0.68 0.01 -0.09 -0.04 7.13 6.32 2nz5B1 TRP 177 HH2 0.16 0.01 -0.11 -0.04 7.19 7.21 2nz5B1 THR 178 H 0.19 0.61 -0.05 -0.55 8.28 8.49 2nz5B1 THR 178 HA 0.07 -0.04 0.31 -0.75 4.39 3.98 2nz5B1 THR 178 HB -0.02 0.13 0.14 -0.04 4.32 4.54 2nz5B1 THR 178 HG23 -0.01 -0.02 -0.02 -0.04 1.22 1.12 2nz5B1 ARG 179 H 0.08 0.42 -0.70 -0.55 8.46 7.71 2nz5B1 ARG 179 HA 0.03 -0.03 0.43 -0.75 4.34 4.02 2nz5B1 ARG 179 HB2 0.11 0.13 0.18 -0.04 1.90 2.28 2nz5B1 ARG 179 HB3 0.07 -0.10 0.23 -0.04 1.80 1.96 2nz5B1 ARG 179 HG2 0.07 -0.06 -0.00 -0.04 1.67 1.64 2nz5B1 ARG 179 HG3 0.10 0.08 -0.04 -0.04 1.67 1.77 2nz5B1 ARG 179 HD2 0.23 -0.01 -0.05 -0.04 3.22 3.34 2nz5B1 ARG 179 HD3 0.25 -0.03 -0.11 -0.04 3.22 3.29 2nz5B1 GLN 180 H 0.05 0.63 -1.20 -0.55 8.47 7.40 2nz5B1 GLN 180 HA 0.04 0.04 0.70 -0.75 4.36 4.39 2nz5B1 GLN 180 HB2 0.02 -0.16 0.21 -0.04 2.15 2.18 2nz5B1 GLN 180 HB3 0.07 0.29 0.11 -0.04 2.02 2.45 2nz5B1 GLN 180 HG2 0.03 0.17 -0.10 -0.04 2.40 2.46 2nz5B1 GLN 180 HG3 0.01 -0.09 -0.06 -0.04 2.39 2.21 2nz5B1 GLN 180 HE21 -0.14 -0.12 -0.51 -0.04 6.97 6.15 2nz5B1 GLN 180 HE22 0.05 0.44 -0.65 -0.04 7.69 7.49 2nz5B1 ILE 181 H 0.04 0.11 -0.25 -0.55 8.25 7.60 2nz5B1 ILE 181 HA 0.05 0.04 0.44 -0.75 4.18 3.95 2nz5B1 ILE 181 HB 0.04 -0.03 -0.02 -0.04 1.89 1.84 2nz5B1 ILE 181 HG12 0.03 -0.03 0.10 -0.04 1.49 1.54 2nz5B1 ILE 181 HG13 0.02 0.24 0.16 -0.04 1.21 1.59 2nz5B1 ILE 181 HG23 0.11 0.03 -0.03 -0.04 0.93 1.00 2nz5B1 ILE 181 HD13 -0.03 -0.02 -0.00 -0.04 0.88 0.78 2nz5B1 ILE 182 H 0.04 0.01 -0.70 -0.55 8.25 7.05 2nz5B1 ILE 182 HA 0.03 -0.02 0.19 -0.75 4.18 3.62 2nz5B1 ILE 182 HB 0.02 0.36 -0.09 -0.04 1.89 2.14 2nz5B1 ILE 182 HG12 0.02 -0.08 -0.20 -0.04 1.49 1.18 2nz5B1 ILE 182 HG13 0.03 0.43 -0.55 -0.04 1.21 1.08 2nz5B1 ILE 182 HG23 0.01 -0.19 -0.19 -0.04 0.93 0.52 2nz5B1 ILE 182 HD13 0.01 -0.03 -0.10 -0.04 0.88 0.73 2nz5B1 SER 183 H 0.02 0.03 0.10 -0.55 8.46 8.06 2nz5B1 SER 183 HA 0.02 0.20 0.43 -0.75 4.49 4.38 2nz5B1 SER 183 HB2 0.01 -0.14 0.06 -0.04 3.95 3.84 2nz5B1 SER 183 HB3 0.01 0.07 0.09 -0.04 3.93 4.06 2nz5B1 THR 184 H 0.01 -0.17 -0.48 -0.55 8.28 7.09 2nz5B1 THR 184 HA -0.02 0.17 0.28 -0.75 4.39 4.07 2nz5B1 THR 184 HB 0.00 -0.21 -0.14 -0.04 4.32 3.93 2nz5B1 THR 184 HG23 -0.00 -0.02 -0.08 -0.04 1.22 1.08 2nz5B1 SER 185 H 0.00 0.05 0.02 -0.55 8.46 7.99 2nz5B1 SER 185 HA 0.00 0.22 0.48 -0.75 4.49 4.44 2nz5B1 SER 185 HB2 0.00 -0.02 -0.01 -0.04 3.95 3.88 2nz5B1 SER 185 HB3 0.00 -0.04 0.15 -0.04 3.93 4.00 2nz5B1 GLY 186 H 0.01 -0.04 0.08 -0.55 8.43 7.93 2nz5B1 GLY 186 HA2 0.01 0.11 0.35 -0.51 4.01 3.97 2nz5B1 GLY 186 HA3 0.01 0.01 0.41 -0.51 4.01 3.94 2nz5B1 GLY 187 H 0.01 0.63 -0.69 -0.55 8.43 7.83 2nz5B1 GLY 187 HA2 0.01 -0.04 0.39 -0.51 4.01 3.86 2nz5B1 GLY 187 HA3 0.01 0.12 0.62 -0.51 4.01 4.25 2nz5B1 ALA 188 H 0.01 0.15 0.18 -0.55 8.40 8.20 2nz5B1 ALA 188 HA 0.01 0.25 0.63 -0.75 4.34 4.47 2nz5B1 ALA 188 HB3 0.01 0.02 0.15 -0.04 1.41 1.55 2nz5B1 GLU 189 H 0.01 0.15 0.16 -0.55 8.60 8.37 2nz5B1 GLU 189 HA -0.01 0.17 0.65 -0.75 4.29 4.35 2nz5B1 ALA 190 H 0.01 -0.01 -0.25 -0.55 8.40 7.60 2nz5B1 ALA 190 HA 0.01 0.11 0.38 -0.75 4.34 4.09 2nz5B1 ALA 190 HB3 0.01 0.02 0.09 -0.04 1.41 1.50 2nz5B1 ALA 191 H 0.00 0.11 -0.88 -0.55 8.40 7.08 2nz5B1 ALA 191 HA 0.00 0.19 0.73 -0.75 4.34 4.51 2nz5B1 ALA 191 HB3 -0.00 0.08 0.01 -0.04 1.41 1.46 2nz5B1 GLU 192 H -0.02 0.06 -0.14 -0.55 8.60 7.95 2nz5B1 GLU 192 HA -0.08 0.09 0.49 -0.75 4.29 4.04 2nz5B1 GLU 192 HB2 -0.02 -0.04 0.24 -0.04 2.09 2.23 2nz5B1 GLU 192 HB3 -0.04 -0.00 0.05 -0.04 1.99 1.95 2nz5B1 GLU 192 HG2 -0.02 0.17 0.13 -0.04 2.34 2.58 2nz5B1 GLU 192 HG3 -0.02 -0.05 0.03 -0.04 2.34 2.26 2nz5B1 ARG 193 H -0.02 0.58 -0.20 -0.55 8.46 8.27 2nz5B1 ARG 193 HA -0.01 0.03 0.39 -0.75 4.34 3.99 2nz5B1 ARG 193 HB2 0.02 0.07 0.10 -0.04 1.90 2.05 2nz5B1 ARG 193 HB3 0.06 0.05 -0.10 -0.04 1.80 1.76 2nz5B1 ARG 193 HG2 0.03 0.00 -0.03 -0.04 1.67 1.64 2nz5B1 ARG 193 HG3 0.03 -0.03 0.01 -0.04 1.67 1.64 2nz5B1 ARG 193 HD2 0.00 0.12 -0.01 -0.04 3.22 3.29 2nz5B1 ARG 193 HD3 0.01 -0.09 -0.18 -0.04 3.22 2.92 2nz5B1 ALA 194 H 0.00 0.23 -0.37 -0.55 8.40 7.72 2nz5B1 ALA 194 HA 0.23 -0.00 0.37 -0.75 4.34 4.19 2nz5B1 ALA 194 HB3 0.09 0.09 0.10 -0.04 1.41 1.64 2nz5B1 LYS 195 H -0.20 0.47 -0.30 -0.55 8.42 7.84 2nz5B1 LYS 195 HA -0.74 0.01 0.32 -0.75 4.32 3.16 2nz5B1 LYS 195 HB2 -0.92 -0.05 0.02 -0.04 1.87 0.88 2nz5B1 LYS 195 HB3 -0.31 0.16 0.10 -0.04 1.79 1.70 2nz5B1 LYS 195 HG2 -0.19 -0.01 0.22 -0.04 1.46 1.44 2nz5B1 LYS 195 HG3 -0.32 0.05 -0.28 -0.04 1.46 0.86 2nz5B1 LYS 195 HD2 -0.07 -0.03 -0.02 -0.04 1.69 1.53 2nz5B1 LYS 195 HD3 -0.09 -0.04 -0.07 -0.04 1.68 1.44 2nz5B1 LYS 195 HE2 -0.08 0.03 -0.04 -0.04 2.99 2.86 2nz5B1 LYS 195 HE3 -0.07 -0.02 -0.04 -0.04 2.99 2.81 2nz5B1 ARG 196 H -0.24 0.63 -0.30 -0.55 8.46 8.00 2nz5B1 ARG 196 HA -0.15 -0.03 0.33 -0.75 4.34 3.73 2nz5B1 ARG 196 HB2 -0.08 0.06 0.15 -0.04 1.90 1.98 2nz5B1 ARG 196 HB3 -0.08 0.25 0.25 -0.04 1.80 2.18 2nz5B1 ARG 196 HG2 -0.01 -0.04 -0.01 -0.04 1.67 1.56 2nz5B1 ARG 196 HG3 -0.03 -0.02 -0.27 -0.04 1.67 1.31 2nz5B1 ARG 196 HD2 -0.01 -0.03 -0.03 -0.04 3.22 3.11 2nz5B1 ARG 196 HD3 -0.04 -0.03 0.03 -0.04 3.22 3.14 2nz5B1 GLY 197 H -0.26 0.53 -0.14 -0.55 8.43 8.02 2nz5B1 GLY 197 HA2 -0.11 -0.00 0.40 -0.51 4.01 3.79 2nz5B1 GLY 197 HA3 -0.25 0.06 0.30 -0.51 4.01 3.61 2nz5B1 LEU 198 H -1.90 0.63 0.03 -0.55 8.37 6.58 2nz5B1 LEU 198 HA -1.41 -0.05 0.35 -0.75 4.35 2.49 2nz5B1 LEU 198 HB2 -0.62 0.02 0.07 -0.04 1.64 1.07 2nz5B1 LEU 198 HB3 -0.58 0.08 0.11 -0.04 1.64 1.21 2nz5B1 LEU 198 HG 0.21 -0.05 -0.25 -0.04 1.64 1.51 2nz5B1 LEU 198 HD13 0.11 -0.02 0.02 -0.04 0.93 1.00 2nz5B1 LEU 198 HD23 0.08 0.01 -0.12 -0.04 0.89 0.81 2nz5B1 TYR 199 H -0.34 0.83 -0.28 -0.55 8.29 7.95 2nz5B1 TYR 199 HA -0.06 -0.06 0.43 -0.75 4.56 4.11 2nz5B1 TYR 199 HB2 -0.12 0.21 0.06 -0.04 3.06 3.17 2nz5B1 TYR 199 HB3 -0.07 -0.13 0.03 -0.04 2.98 2.77 2nz5B1 TYR 199 HD2 -0.07 -0.06 -0.18 -0.04 7.15 6.79 2nz5B1 TYR 199 HE2 -0.03 0.02 -0.07 -0.04 6.85 6.73 2nz5B1 GLY 200 H -0.12 0.55 -0.13 -0.55 8.43 8.19 2nz5B1 GLY 200 HA2 0.00 -0.01 0.59 -0.51 4.01 4.08 2nz5B1 GLY 200 HA3 0.00 0.05 0.38 -0.51 4.01 3.93 2nz5B1 TRP 201 H 0.01 0.80 0.01 -0.55 7.97 8.24 2nz5B1 TRP 201 HA 0.03 -0.04 0.34 -0.75 4.62 4.20 2nz5B1 TRP 201 HB2 0.15 -0.03 0.03 -0.04 3.23 3.34 2nz5B1 TRP 201 HB3 -0.16 0.21 0.18 -0.04 3.23 3.43 2nz5B1 TRP 201 HD1 0.26 -0.01 -0.01 -0.04 7.22 7.42 2nz5B1 TRP 201 HE1 0.08 -0.03 -0.03 -0.04 10.20 10.18 2nz5B1 TRP 201 HE3 -0.06 0.09 -0.14 -0.04 7.59 7.45 2nz5B1 TRP 201 HZ2 0.02 -0.02 0.00 -0.04 7.44 7.40 2nz5B1 TRP 201 HZ3 -0.48 0.01 -0.10 -0.04 7.13 6.52 2nz5B1 TRP 201 HH2 -0.07 0.02 -0.07 -0.04 7.19 7.03 2nz5B1 ILE 202 H 0.21 0.69 -0.06 -0.55 8.25 8.55 2nz5B1 ILE 202 HA -0.46 0.03 0.32 -0.75 4.18 3.31 2nz5B1 ILE 202 HB 0.07 0.02 0.09 -0.04 1.89 2.02 2nz5B1 ILE 202 HG12 0.39 -0.02 -0.06 -0.04 1.49 1.76 2nz5B1 ILE 202 HG13 0.51 0.19 0.02 -0.04 1.21 1.89 2nz5B1 ILE 202 HG23 0.04 -0.03 -0.28 -0.04 0.93 0.62 2nz5B1 ILE 202 HD13 0.28 -0.02 -0.17 -0.04 0.88 0.93 2nz5B1 THR 203 H -0.06 0.54 -0.13 -0.55 8.28 8.08 2nz5B1 THR 203 HA -0.09 -0.08 0.41 -0.75 4.39 3.87 2nz5B1 THR 203 HB -0.06 0.14 0.18 -0.04 4.32 4.54 2nz5B1 THR 203 HG23 -0.05 -0.04 0.01 -0.04 1.22 1.10 2nz5B1 GLU 204 H -0.17 0.54 -0.23 -0.55 8.60 8.19 2nz5B1 GLU 204 HA -0.13 -0.02 0.45 -0.75 4.29 3.83 2nz5B1 GLU 204 HB2 -0.34 0.13 0.23 -0.04 2.09 2.07 2nz5B1 GLU 204 HB3 -0.17 -0.08 0.05 -0.04 1.99 1.74 2nz5B1 GLU 204 HG2 -0.06 -0.09 0.04 -0.04 2.34 2.19 2nz5B1 GLU 204 HG3 -0.08 0.47 0.13 -0.04 2.34 2.82 2nz5B1 THR 205 H -0.68 0.67 0.11 -0.55 8.28 7.83 2nz5B1 THR 205 HA -0.42 -0.10 0.32 -0.75 4.39 3.44 2nz5B1 THR 205 HB -1.17 0.06 0.09 -0.04 4.32 3.26 2nz5B1 THR 205 HG23 -0.52 0.00 -0.08 -0.04 1.22 0.57 2nz5B1 VAL 206 H -0.27 0.39 -0.50 -0.55 8.24 7.32 2nz5B1 VAL 206 HA -0.08 0.13 0.56 -0.75 4.13 3.99 2nz5B1 VAL 206 HB -0.09 0.01 0.10 -0.04 2.12 2.10 2nz5B1 VAL 206 HG13 -0.02 -0.04 -0.18 -0.04 0.97 0.69 2nz5B1 VAL 206 HG23 -0.03 0.01 -0.07 -0.04 0.95 0.82 2nz5B1 ARG 207 H -0.13 0.39 0.03 -0.55 8.46 8.19 2nz5B1 ARG 207 HA -0.06 -0.08 0.47 -0.75 4.34 3.92 2nz5B1 ARG 207 HB2 -0.10 0.18 0.37 -0.04 1.90 2.31 2nz5B1 ARG 207 HB3 -0.06 -0.13 0.04 -0.04 1.80 1.60 2nz5B1 ARG 207 HG2 -0.05 -0.07 0.09 -0.04 1.67 1.60 2nz5B1 ARG 207 HG3 -0.06 0.02 0.12 -0.04 1.67 1.71 2nz5B1 ARG 207 HD2 -0.07 0.02 -0.03 -0.04 3.22 3.10 2nz5B1 ARG 207 HD3 -0.05 -0.05 0.03 -0.04 3.22 3.12 2nz5B1 ALA 208 H -0.13 0.46 -0.05 -0.55 8.40 8.14 2nz5B1 ALA 208 HA -0.05 -0.09 0.47 -0.75 4.34 3.92 2nz5B1 ALA 208 HB3 -0.10 -0.01 0.06 -0.04 1.41 1.32 2nz5B1 ARG 209 H -0.03 -0.00 0.18 -0.55 8.46 8.05 2nz5B1 ARG 209 HA -0.01 -0.14 0.35 -0.75 4.34 3.79 2nz5B1 ARG 209 HB2 -0.03 0.61 0.50 -0.04 1.90 2.94 2nz5B1 ARG 209 HB3 0.00 -0.17 0.35 -0.04 1.80 1.94 2nz5B1 ARG 209 HG2 -0.01 -0.18 -0.03 -0.04 1.67 1.42 2nz5B1 ARG 209 HG3 -0.05 -0.13 -0.51 -0.04 1.67 0.94 2nz5B1 ARG 209 HD2 -0.05 0.33 0.01 -0.04 3.22 3.48 2nz5B1 ARG 209 HD3 0.04 -0.10 -0.19 -0.04 3.22 2.94 2nz5B1 ALA 210 H -0.03 -0.02 -0.09 -0.55 8.40 7.72 2nz5B1 ALA 210 HA -0.02 0.21 0.28 -0.75 4.34 4.05 2nz5B1 ALA 210 HB3 -0.02 -0.01 0.12 -0.04 1.41 1.46 2nz5B1 GLY 211 H -0.01 -0.09 -0.38 -0.55 8.43 7.41 2nz5B1 GLY 211 HA2 -0.00 0.25 0.72 -0.51 4.01 4.46 2nz5B1 GLY 211 HA3 -0.00 -0.02 0.28 -0.51 4.01 3.76 2nz5B1 SER 212 H 0.00 0.38 -0.07 -0.55 8.46 8.22 2nz5B1 SER 212 HA 0.00 0.09 0.63 -0.75 4.49 4.46 2nz5B1 SER 212 HB2 0.01 -0.01 -0.01 -0.04 3.95 3.89 2nz5B1 SER 212 HB3 0.00 -0.08 0.07 -0.04 3.93 3.88 2nz5B1 GLU 213 H 0.01 0.13 0.09 -0.55 8.60 8.27 2nz5B1 GLU 213 HA 0.01 0.22 0.70 -0.75 4.29 4.46 2nz5B1 GLU 213 HB2 0.00 -0.04 0.23 -0.04 2.09 2.24 2nz5B1 GLU 213 HB3 0.00 0.01 0.09 -0.04 1.99 2.05 2nz5B1 GLU 213 HG2 0.00 0.07 -0.06 -0.04 2.34 2.31 2nz5B1 GLU 213 HG3 0.00 0.02 0.00 -0.04 2.34 2.32 2nz5B1 GLY 214 H 0.01 0.44 -0.08 -0.55 8.43 8.25 2nz5B1 GLY 214 HA2 0.01 0.16 0.92 -0.51 4.01 4.59 2nz5B1 GLY 214 HA3 0.02 -0.01 0.24 -0.51 4.01 3.75 2nz5B1 GLY 215 H -0.00 0.13 0.14 -0.55 8.43 8.16 2nz5B1 GLY 215 HA2 -0.01 0.13 0.53 -0.51 4.01 4.16 2nz5B1 GLY 215 HA3 -0.02 0.01 0.30 -0.51 4.01 3.79 2nz5B1 ASP 216 H -0.01 -0.07 -0.12 -0.55 8.40 7.65 2nz5B1 ASP 216 HA -0.07 0.22 0.48 -0.75 4.63 4.50 2nz5B1 ASP 216 HB2 -0.02 0.17 -0.20 -0.04 2.71 2.62 2nz5B1 ASP 216 HB3 -0.01 -0.03 0.06 -0.04 2.70 2.68 2nz5B1 VAL 217 H -0.12 0.45 0.25 -0.55 8.24 8.27 2nz5B1 VAL 217 HA -0.02 0.08 0.51 -0.75 4.13 3.94 2nz5B1 VAL 217 HB -0.30 0.02 0.27 -0.04 2.12 2.08 2nz5B1 VAL 217 HG13 -0.03 -0.01 -0.05 -0.04 0.97 0.85 2nz5B1 VAL 217 HG23 -0.07 0.06 0.06 -0.04 0.95 0.96 2nz5B1 TYR 218 H -0.12 0.94 0.17 -0.55 8.29 8.73 2nz5B1 TYR 218 HA 0.02 0.00 0.28 -0.75 4.56 4.11 2nz5B1 TYR 218 HB2 0.07 0.07 0.00 -0.04 3.06 3.16 2nz5B1 TYR 218 HB3 -0.01 0.02 -0.00 -0.04 2.98 2.95 2nz5B1 TYR 218 HD2 0.16 0.02 -0.33 -0.04 7.15 6.95 2nz5B1 TYR 218 HE2 0.27 -0.05 -0.13 -0.04 6.85 6.91 2nz5B1 SER 219 H 0.07 0.22 -0.85 -0.55 8.46 7.35 2nz5B1 SER 219 HA 0.04 0.18 0.88 -0.75 4.49 4.84 2nz5B1 SER 219 HB2 0.03 0.12 0.03 -0.04 3.95 4.09 2nz5B1 SER 219 HB3 0.02 -0.05 -0.01 -0.04 3.93 3.85 2nz5B1 MET 220 H 0.02 0.49 0.13 -0.55 8.47 8.57 2nz5B1 MET 220 HA 0.02 -0.02 0.42 -0.75 4.52 4.18 2nz5B1 MET 220 HB2 0.02 0.04 0.23 -0.04 2.15 2.41 2nz5B1 MET 220 HB3 0.02 0.01 0.01 -0.04 2.03 2.03 2nz5B1 MET 220 HG2 0.01 -0.09 0.08 -0.04 2.63 2.59 2nz5B1 MET 220 HG3 0.01 0.24 0.10 -0.04 2.56 2.86 2nz5B1 MET 220 HE3 0.02 -0.06 -0.17 -0.04 2.10 1.86 2nz5B1 LEU 221 H 0.04 0.67 0.04 -0.55 8.37 8.57 2nz5B1 LEU 221 HA 0.03 -0.02 0.39 -0.75 4.35 3.99 2nz5B1 LEU 221 HB2 0.06 0.07 0.07 -0.04 1.64 1.80 2nz5B1 LEU 221 HB3 0.10 -0.02 -0.06 -0.04 1.64 1.62 2nz5B1 LEU 221 HG 0.06 -0.09 -0.08 -0.04 1.64 1.49 2nz5B1 LEU 221 HD13 0.03 -0.03 -0.19 -0.04 0.93 0.70 2nz5B1 LEU 221 HD23 0.02 0.00 -0.02 -0.04 0.89 0.85 2nz5B1 GLY 222 H 0.05 0.09 -0.56 -0.55 8.43 7.47 2nz5B1 GLY 222 HA2 -0.01 0.01 0.44 -0.51 4.01 3.94 2nz5B1 GLY 222 HA3 0.00 0.18 0.39 -0.51 4.01 4.07 2nz5B1 ALA 223 H 0.01 0.59 0.08 -0.55 8.40 8.53 2nz5B1 ALA 223 HA -0.00 0.29 0.39 -0.75 4.34 4.27 2nz5B1 ALA 223 HB3 0.01 -0.02 0.07 -0.04 1.41 1.43 2nz5B1 ALA 224 H 0.01 0.76 -0.08 -0.55 8.40 8.54 2nz5B1 ALA 224 HA 0.00 -0.06 0.34 -0.75 4.34 3.87 2nz5B1 ALA 224 HB3 0.01 0.00 0.04 -0.04 1.41 1.42 2nz5B1 VAL 225 H 0.00 0.75 -0.20 -0.55 8.24 8.24 2nz5B1 VAL 225 HA -0.01 0.03 0.19 -0.75 4.13 3.59 2nz5B1 VAL 225 HB -0.01 0.37 0.32 -0.04 2.12 2.75 2nz5B1 VAL 225 HG13 -0.02 -0.11 -0.06 -0.04 0.97 0.74 2nz5B1 VAL 225 HG23 -0.01 0.13 0.04 -0.04 0.95 1.07 2nz5B1 GLY 226 H -0.01 0.72 0.18 -0.55 8.43 8.78 2nz5B1 GLY 226 HA2 -0.01 -0.12 0.42 -0.51 4.01 3.79 2nz5B1 GLY 226 HA3 -0.01 0.10 0.43 -0.51 4.01 4.02 2nz5B1 ARG 227 H -0.00 0.18 -1.32 -0.55 8.46 6.76 2nz5B1 ARG 227 HA -0.00 0.10 0.87 -0.75 4.34 4.55 2nz5B1 ARG 227 HB2 -0.00 0.03 0.06 -0.04 1.90 1.95 2nz5B1 ARG 227 HB3 -0.00 -0.12 0.16 -0.04 1.80 1.79 2nz5B1 ARG 227 HG2 -0.00 -0.07 -0.06 -0.04 1.67 1.49 2nz5B1 ARG 227 HG3 -0.00 0.36 -0.12 -0.04 1.67 1.86 2nz5B1 ARG 227 HD2 0.00 -0.09 -0.03 -0.04 3.22 3.05 2nz5B1 ARG 227 HD3 0.00 -0.05 -0.07 -0.04 3.22 3.06 2nz5B1 GLY 228 H -0.01 0.75 0.12 -0.55 8.43 8.74 2nz5B1 GLY 228 HA2 -0.00 -0.08 0.37 -0.51 4.01 3.78 2nz5B1 GLY 228 HA3 -0.00 -0.01 0.36 -0.51 4.01 3.85 2nz5B1 GLU 229 H -0.00 0.62 -0.30 -0.55 8.60 8.37 2nz5B1 GLU 229 HA 0.00 0.02 0.49 -0.75 4.29 4.06 2nz5B1 GLU 229 HB2 0.00 0.08 0.11 -0.04 2.09 2.23 2nz5B1 GLU 229 HB3 0.00 -0.04 -0.05 -0.04 1.99 1.86 2nz5B1 GLU 229 HG2 0.01 -0.02 -0.04 -0.04 2.34 2.25 2nz5B1 GLU 229 HG3 0.00 -0.04 0.05 -0.04 2.34 2.31 2nz5B1 VAL 230 H -0.00 0.34 -0.40 -0.55 8.24 7.63 2nz5B1 VAL 230 HA -0.00 0.07 0.47 -0.75 4.13 3.91 2nz5B1 VAL 230 HB -0.00 -0.02 -0.01 -0.04 2.12 2.05 2nz5B1 VAL 230 HG13 0.00 -0.00 -0.24 -0.04 0.97 0.69 2nz5B1 VAL 230 HG23 0.00 -0.01 -0.11 -0.04 0.95 0.79 2nz5B1 GLY 231 H -0.01 0.13 -0.05 -0.55 8.43 7.95 2nz5B1 GLY 231 HA2 -0.01 0.11 0.52 -0.51 4.01 4.12 2nz5B1 GLY 231 HA3 -0.01 0.01 0.37 -0.51 4.01 3.87 2nz5B1 GLU 232 H -0.02 0.10 0.15 -0.55 8.60 8.29 2nz5B1 GLU 232 HA -0.03 0.01 0.35 -0.75 4.29 3.88 2nz5B1 GLU 232 HB2 -0.03 0.07 0.17 -0.04 2.09 2.27 2nz5B1 GLU 232 HB3 -0.02 0.03 0.02 -0.04 1.99 1.98 2nz5B1 GLU 232 HG2 -0.04 0.11 0.13 -0.04 2.34 2.50 2nz5B1 GLU 232 HG3 -0.03 0.07 0.09 -0.04 2.34 2.42 2nz5B1 THR 233 H -0.03 0.11 0.15 -0.55 8.28 7.96 2nz5B1 THR 233 HA -0.03 0.00 0.38 -0.75 4.39 3.98 2nz5B1 THR 233 HB -0.02 0.54 0.33 -0.04 4.32 5.14 2nz5B1 THR 233 HG23 -0.03 -0.02 -0.01 -0.04 1.22 1.13 2nz5B1 GLU 234 H -0.02 0.18 -0.85 -0.55 8.60 7.37 2nz5B1 GLU 234 HA -0.03 0.34 0.57 -0.75 4.29 4.41 2nz5B1 GLU 234 HB2 -0.01 0.31 -0.13 -0.04 2.09 2.22 2nz5B1 GLU 234 HB3 -0.01 -0.04 -0.00 -0.04 1.99 1.90 2nz5B1 GLU 234 HG2 -0.01 -0.13 -0.29 -0.04 2.34 1.86 2nz5B1 GLU 234 HG3 -0.01 0.05 -0.34 -0.04 2.34 2.00 2nz5B1 ALA 235 H -0.03 -0.08 -0.09 -0.55 8.40 7.65 2nz5B1 ALA 235 HA -0.01 0.21 0.32 -0.75 4.34 4.11 2nz5B1 ALA 235 HB3 -0.03 0.01 0.05 -0.04 1.41 1.40 2nz5B1 VAL 236 H -0.08 0.13 -0.02 -0.55 8.24 7.72 2nz5B1 VAL 236 HA -0.17 0.03 0.32 -0.75 4.13 3.56 2nz5B1 VAL 236 HB -0.18 0.02 0.02 -0.04 2.12 1.94 2nz5B1 VAL 236 HG13 -0.79 0.02 -0.12 -0.04 0.97 0.04 2nz5B1 VAL 236 HG23 -0.11 0.00 0.08 -0.04 0.95 0.88 2nz5B1 GLY 237 H -0.10 0.13 -0.49 -0.55 8.43 7.42 2nz5B1 GLY 237 HA2 -0.09 -0.05 0.19 -0.51 4.01 3.55 2nz5B1 GLY 237 HA3 -0.05 0.43 0.02 -0.51 4.01 3.90 2nz5B1 LEU 238 H -0.04 0.44 -0.46 -0.55 8.37 7.77 2nz5B1 LEU 238 HA -0.02 0.07 0.68 -0.75 4.35 4.33 2nz5B1 LEU 238 HB2 -0.01 0.36 0.19 -0.04 1.64 2.14 2nz5B1 LEU 238 HB3 0.00 -0.06 0.05 -0.04 1.64 1.59 2nz5B1 LEU 238 HG -0.02 0.03 0.05 -0.04 1.64 1.66 2nz5B1 LEU 238 HD13 0.00 0.04 -0.06 -0.04 0.93 0.87 2nz5B1 LEU 238 HD23 -0.03 -0.05 -0.00 -0.04 0.89 0.76 2nz5B1 ALA 239 H -0.00 0.74 0.12 -0.55 8.40 8.72 2nz5B1 ALA 239 HA 0.03 0.08 0.64 -0.75 4.34 4.34 2nz5B1 ALA 239 HB3 0.17 -0.01 -0.06 -0.04 1.41 1.46 2nz5B1 GLY 240 H -0.09 0.82 0.07 -0.55 8.43 8.69 2nz5B1 GLY 240 HA2 0.01 -0.04 0.30 -0.51 4.01 3.76 2nz5B1 GLY 240 HA3 -0.18 0.10 0.27 -0.51 4.01 3.69 2nz5B1 PRO 241 HA 0.05 0.05 0.35 -0.51 4.44 4.38 2nz5B1 PRO 241 HB2 -0.02 0.04 0.02 -0.04 2.28 2.28 2nz5B1 PRO 241 HB3 0.01 -0.00 0.02 -0.04 2.02 2.00 2nz5B1 PRO 241 HG2 0.01 0.07 0.04 -0.04 2.03 2.10 2nz5B1 PRO 241 HG3 0.03 0.00 0.00 -0.04 2.03 2.02 2nz5B1 PRO 241 HD2 -0.02 0.21 -0.43 -0.04 3.68 3.39 2nz5B1 PRO 241 HD3 -0.05 0.11 -0.00 -0.04 3.65 3.67 2nz5B1 LEU 242 H 0.00 0.28 -0.23 -0.55 8.37 7.87 2nz5B1 LEU 242 HA -0.01 -0.03 0.38 -0.75 4.35 3.95 2nz5B1 LEU 242 HB2 0.06 0.10 0.10 -0.04 1.64 1.85 2nz5B1 LEU 242 HB3 0.18 -0.03 0.00 -0.04 1.64 1.75 2nz5B1 LEU 242 HG -0.06 0.06 0.10 -0.04 1.64 1.69 2nz5B1 LEU 242 HD13 0.04 -0.00 -0.02 -0.04 0.93 0.91 2nz5B1 LEU 242 HD23 -0.44 -0.02 -0.04 -0.04 0.89 0.34 2nz5B1 GLN 243 H 0.08 0.75 -0.11 -0.55 8.47 8.64 2nz5B1 GLN 243 HA 0.07 -0.01 0.34 -0.75 4.36 4.01 2nz5B1 GLN 243 HB2 0.23 -0.05 0.03 -0.04 2.15 2.31 2nz5B1 GLN 243 HB3 0.18 0.12 0.07 -0.04 2.02 2.35 2nz5B1 GLN 243 HG2 0.25 -0.06 -0.07 -0.04 2.40 2.48 2nz5B1 GLN 243 HG3 0.13 0.03 -0.21 -0.04 2.39 2.29 2nz5B1 GLN 243 HE21 0.06 -0.03 -0.03 -0.04 6.97 6.93 2nz5B1 GLN 243 HE22 0.05 0.04 -0.01 -0.04 7.69 7.73 2nz5B1 ILE 244 H 0.08 0.46 -0.27 -0.55 8.25 7.97 2nz5B1 ILE 244 HA 0.05 0.10 0.67 -0.75 4.18 4.24 2nz5B1 ILE 244 HB 0.08 0.04 0.04 -0.04 1.89 2.01 2nz5B1 ILE 244 HG12 0.16 0.12 -0.03 -0.04 1.49 1.70 2nz5B1 ILE 244 HG13 0.16 -0.07 -0.08 -0.04 1.21 1.18 2nz5B1 ILE 244 HG23 0.06 -0.02 0.00 -0.04 0.93 0.93 2nz5B1 ILE 244 HD13 0.08 0.00 -0.08 -0.04 0.88 0.84 2nz5B1 GLY 245 H 0.04 0.43 -0.19 -0.55 8.43 8.16 2nz5B1 GLY 245 HA2 0.03 -0.04 0.31 -0.51 4.01 3.80 2nz5B1 GLY 245 HA3 0.02 0.03 0.31 -0.51 4.01 3.86 2nz5B1 GLY 246 H 0.00 0.28 -0.35 -0.55 8.43 7.81 2nz5B1 GLY 246 HA2 -0.02 -0.03 0.34 -0.51 4.01 3.79 2nz5B1 GLY 246 HA3 -0.05 0.12 0.15 -0.51 4.01 3.72 2nz5B1 GLU 247 H -0.02 0.46 -0.23 -0.55 8.60 8.26 2nz5B1 GLU 247 HA -0.17 0.04 0.36 -0.75 4.29 3.76 2nz5B1 GLU 247 HB2 -0.01 0.04 0.13 -0.04 2.09 2.20 2nz5B1 GLU 247 HB3 0.02 0.07 0.05 -0.04 1.99 2.09 2nz5B1 GLU 247 HG2 -0.08 -0.05 -0.20 -0.04 2.34 1.97 2nz5B1 GLU 247 HG3 -0.02 0.02 0.06 -0.04 2.34 2.35 2nz5B1 ALA 248 H 0.02 0.58 -0.34 -0.55 8.40 8.11 2nz5B1 ALA 248 HA 0.19 0.06 0.48 -0.75 4.34 4.32 2nz5B1 ALA 248 HB3 0.13 0.01 0.07 -0.04 1.41 1.58 2nz5B1 VAL 249 H 0.00 0.46 -0.04 -0.55 8.24 8.11 2nz5B1 VAL 249 HA 0.06 0.02 0.52 -0.75 4.13 3.98 2nz5B1 VAL 249 HB 0.00 0.17 0.17 -0.04 2.12 2.43 2nz5B1 VAL 249 HG13 0.08 -0.01 -0.08 -0.04 0.97 0.93 2nz5B1 VAL 249 HG23 0.04 -0.02 0.04 -0.04 0.95 0.98 2nz5B1 THR 250 H -0.10 0.34 -0.12 -0.55 8.28 7.85 2nz5B1 THR 250 HA -0.02 0.04 0.33 -0.75 4.39 3.98 2nz5B1 THR 250 HB -0.44 0.13 0.13 -0.04 4.32 4.11 2nz5B1 THR 250 HG23 -0.10 -0.05 -0.33 -0.04 1.22 0.71 2nz5B1 HIS 251 H -0.32 0.42 -0.19 -0.55 8.41 7.78 2nz5B1 HIS 251 HA -0.01 0.06 0.50 -0.75 4.63 4.43 2nz5B1 HIS 251 HB2 0.03 -0.04 0.11 -0.04 3.26 3.33 2nz5B1 HIS 251 HB3 -0.02 0.35 0.01 -0.04 3.20 3.49 2nz5B1 HIS 251 HD2 -0.02 -0.13 -0.09 -0.04 6.97 6.68 2nz5B1 HIS 251 HE1 -0.02 0.01 -0.09 -0.04 7.75 7.61 2nz5B1 ASN 252 H 0.25 0.46 -0.02 -0.55 8.53 8.67 2nz5B1 ASN 252 HA 0.24 0.08 0.39 -0.75 4.76 4.71 2nz5B1 ASN 252 HB2 0.21 0.13 0.18 -0.04 2.88 3.36 2nz5B1 ASN 252 HB3 0.08 -0.03 0.14 -0.04 2.79 2.94 2nz5B1 ASN 252 HD21 -0.06 0.05 -0.02 -0.04 7.03 6.96 2nz5B1 ASN 252 HD22 0.11 0.01 0.02 -0.04 7.74 7.83 2nz5B1 VAL 253 H 0.08 0.65 -0.09 -0.55 8.24 8.33 2nz5B1 VAL 253 HA 0.07 -0.02 0.41 -0.75 4.13 3.83 2nz5B1 VAL 253 HB 0.05 0.18 0.03 -0.04 2.12 2.35 2nz5B1 VAL 253 HG13 0.04 -0.03 -0.08 -0.04 0.97 0.85 2nz5B1 VAL 253 HG23 0.07 -0.01 0.05 -0.04 0.95 1.02 2nz5B1 GLY 254 H 0.07 0.32 -0.60 -0.55 8.43 7.67 2nz5B1 GLY 254 HA2 0.02 -0.08 0.41 -0.51 4.01 3.85 2nz5B1 GLY 254 HA3 0.01 0.17 0.35 -0.51 4.01 4.03 2nz5B1 GLN 255 H 0.11 0.58 -0.14 -0.55 8.47 8.48 2nz5B1 GLN 255 HA 0.21 -0.01 0.47 -0.75 4.36 4.27 2nz5B1 GLN 255 HB2 0.21 0.19 0.14 -0.04 2.15 2.65 2nz5B1 GLN 255 HB3 0.31 -0.09 -0.01 -0.04 2.02 2.18 2nz5B1 GLN 255 HG2 0.26 -0.12 -0.05 -0.04 2.40 2.44 2nz5B1 GLN 255 HG3 0.19 0.21 -0.06 -0.04 2.39 2.69 2nz5B1 GLN 255 HE21 0.14 0.39 -0.18 -0.04 6.97 7.28 2nz5B1 GLN 255 HE22 0.16 0.11 -0.22 -0.04 7.69 7.70 2nz5B1 MET 256 H 0.12 0.44 -0.20 -0.55 8.47 8.29 2nz5B1 MET 256 HA 0.12 0.02 0.38 -0.75 4.52 4.29 2nz5B1 MET 256 HB2 0.07 0.11 0.10 -0.04 2.15 2.39 2nz5B1 MET 256 HB3 0.06 -0.06 -0.02 -0.04 2.03 1.96 2nz5B1 MET 256 HG2 0.09 -0.04 -0.04 -0.04 2.63 2.60 2nz5B1 MET 256 HG3 0.09 0.30 0.01 -0.04 2.56 2.92 2nz5B1 MET 256 HE3 0.04 -0.01 -0.04 -0.04 2.10 2.05 2nz5B1 LEU 257 H 0.08 0.60 -0.13 -0.55 8.37 8.38 2nz5B1 LEU 257 HA 0.03 0.04 0.45 -0.75 4.35 4.12 2nz5B1 LEU 257 HB2 0.05 0.13 0.10 -0.04 1.64 1.87 2nz5B1 LEU 257 HB3 0.03 -0.04 -0.06 -0.04 1.64 1.54 2nz5B1 LEU 257 HG 0.02 0.10 -0.03 -0.04 1.64 1.68 2nz5B1 LEU 257 HD13 -0.01 -0.01 -0.09 -0.04 0.93 0.78 2nz5B1 LEU 257 HD23 -0.00 -0.01 -0.08 -0.04 0.89 0.76 2nz5B1 TYR 258 H 0.21 0.48 -0.28 -0.55 8.29 8.15 2nz5B1 TYR 258 HA 0.06 -0.00 0.35 -0.75 4.56 4.21 2nz5B1 TYR 258 HB2 0.04 0.09 0.13 -0.04 3.06 3.27 2nz5B1 TYR 258 HB3 0.21 0.17 0.17 -0.04 2.98 3.49 2nz5B1 TYR 258 HD2 0.19 0.02 -0.11 -0.04 7.15 7.22 2nz5B1 TYR 258 HE2 0.24 0.01 0.01 -0.04 6.85 7.07 2nz5B1 LEU 259 H 0.27 0.60 -0.13 -0.55 8.37 8.56 2nz5B1 LEU 259 HA 0.06 -0.01 0.39 -0.75 4.35 4.05 2nz5B1 LEU 259 HB2 0.06 0.13 0.13 -0.04 1.64 1.91 2nz5B1 LEU 259 HB3 -0.06 -0.07 0.00 -0.04 1.64 1.47 2nz5B1 LEU 259 HG 0.30 0.29 0.09 -0.04 1.64 2.27 2nz5B1 LEU 259 HD13 0.04 -0.01 -0.03 -0.04 0.93 0.88 2nz5B1 LEU 259 HD23 0.16 -0.03 -0.02 -0.04 0.89 0.97 2nz5B1 LEU 260 H 0.03 0.51 -0.30 -0.55 8.37 8.06 2nz5B1 LEU 260 HA -0.04 -0.08 0.33 -0.75 4.35 3.81 2nz5B1 LEU 260 HB2 0.01 0.14 0.20 -0.04 1.64 1.94 2nz5B1 LEU 260 HB3 -0.01 0.00 -0.09 -0.04 1.64 1.50 2nz5B1 LEU 260 HG -0.01 -0.06 -0.11 -0.04 1.64 1.42 2nz5B1 LEU 260 HD13 -0.01 0.01 -0.12 -0.04 0.93 0.77 2nz5B1 LEU 260 HD23 0.00 0.02 -0.10 -0.04 0.89 0.77 2nz5B1 LEU 261 H -0.05 0.66 -0.20 -0.55 8.37 8.24 2nz5B1 LEU 261 HA -0.05 0.08 0.51 -0.75 4.35 4.14 2nz5B1 LEU 261 HB2 -0.08 0.09 0.13 -0.04 1.64 1.73 2nz5B1 LEU 261 HB3 -0.05 -0.16 0.10 -0.04 1.64 1.48 2nz5B1 LEU 261 HG -0.01 0.11 -0.03 -0.04 1.64 1.67 2nz5B1 LEU 261 HD13 0.02 -0.03 -0.17 -0.04 0.93 0.71 2nz5B1 LEU 261 HD23 -0.00 -0.04 -0.11 -0.04 0.89 0.69 2nz5B1 THR 262 H -0.18 0.40 -0.26 -0.55 8.28 7.68 2nz5B1 THR 262 HA -0.12 0.14 0.97 -0.75 4.39 4.62 2nz5B1 THR 262 HB -0.17 -0.10 0.17 -0.04 4.32 4.18 2nz5B1 THR 262 HG23 -0.65 0.03 -0.02 -0.04 1.22 0.53 2nz5B1 ARG 263 H -0.09 0.42 -0.19 -0.55 8.46 8.04 2nz5B1 ARG 263 HA -0.06 0.12 0.90 -0.75 4.34 4.56 2nz5B1 ARG 263 HB2 -0.08 0.12 0.25 -0.04 1.90 2.14 2nz5B1 ARG 263 HB3 -0.08 -0.11 0.18 -0.04 1.80 1.75 2nz5B1 ARG 263 HG2 -0.06 0.07 -0.17 -0.04 1.67 1.47 2nz5B1 ARG 263 HG3 -0.08 0.06 -0.09 -0.04 1.67 1.51 2nz5B1 ARG 263 HD2 -0.17 -0.01 0.03 -0.04 3.22 3.03 2nz5B1 ARG 263 HD3 -0.14 -0.05 0.03 -0.04 3.22 3.02 2nz5B1 ARG 264 H -0.04 0.25 -0.16 -0.55 8.46 7.96 2nz5B1 ARG 264 HA -0.03 0.17 0.33 -0.75 4.34 4.05 2nz5B1 ARG 264 HB2 -0.02 -0.04 0.02 -0.04 1.90 1.82 2nz5B1 ARG 264 HB3 -0.02 0.03 0.06 -0.04 1.80 1.83 2nz5B1 ARG 264 HG2 -0.03 0.00 0.02 -0.04 1.67 1.62 2nz5B1 ARG 264 HG3 -0.01 0.00 0.03 -0.04 1.67 1.64 2nz5B1 ARG 264 HD2 -0.02 0.02 0.04 -0.04 3.22 3.22 2nz5B1 ARG 264 HD3 -0.04 0.02 -0.11 -0.04 3.22 3.05 2nz5B1 GLU 265 H -0.03 0.04 -0.53 -0.55 8.60 7.53 2nz5B1 GLU 265 HA -0.02 0.05 0.45 -0.75 4.29 4.01 2nz5B1 GLU 265 HB2 -0.03 0.04 -0.01 -0.04 2.09 2.04 2nz5B1 GLU 265 HB3 -0.03 -0.00 0.07 -0.04 1.99 1.99 2nz5B1 GLU 265 HG2 -0.04 -0.01 0.01 -0.04 2.34 2.25 2nz5B1 GLU 265 HG3 -0.05 0.00 0.03 -0.04 2.34 2.28 2nz5B1 LEU 266 H -0.05 0.50 0.09 -0.55 8.37 8.36 2nz5B1 LEU 266 HA -0.04 0.03 0.43 -0.75 4.35 4.01 2nz5B1 LEU 266 HB2 -0.06 0.12 0.07 -0.04 1.64 1.72 2nz5B1 LEU 266 HB3 -0.05 -0.03 -0.03 -0.04 1.64 1.49 2nz5B1 LEU 266 HG -0.09 -0.03 0.09 -0.04 1.64 1.57 2nz5B1 LEU 266 HD13 -0.15 0.02 -0.08 -0.04 0.93 0.68 2nz5B1 LEU 266 HD23 -0.09 -0.01 -0.07 -0.04 0.89 0.67 2nz5B1 MET 267 H -0.03 0.33 -0.15 -0.55 8.47 8.07 2nz5B1 MET 267 HA -0.02 -0.01 0.33 -0.75 4.52 4.07 2nz5B1 MET 267 HB2 -0.03 0.25 0.08 -0.04 2.15 2.41 2nz5B1 MET 267 HB3 -0.02 0.07 0.12 -0.04 2.03 2.15 2nz5B1 MET 267 HG2 -0.02 0.07 -0.03 -0.04 2.63 2.61 2nz5B1 MET 267 HG3 -0.02 -0.04 -0.20 -0.04 2.56 2.26 2nz5B1 MET 267 HE3 -0.02 0.04 -0.16 -0.04 2.10 1.92 2nz5B1 ALA 268 H -0.02 0.52 -0.24 -0.55 8.40 8.12 2nz5B1 ALA 268 HA -0.01 -0.00 0.37 -0.75 4.34 3.95 2nz5B1 ALA 268 HB3 -0.01 0.04 0.15 -0.04 1.41 1.54 2nz5B1 ARG 269 H -0.02 0.53 -0.01 -0.55 8.46 8.42 2nz5B1 ARG 269 HA -0.01 -0.03 0.35 -0.75 4.34 3.89 2nz5B1 ARG 269 HB2 -0.02 0.11 0.22 -0.04 1.90 2.17 2nz5B1 ARG 269 HB3 -0.01 -0.02 -0.04 -0.04 1.80 1.69 2nz5B1 ARG 269 HG2 -0.01 -0.01 0.00 -0.04 1.67 1.61 2nz5B1 ARG 269 HG3 -0.01 -0.03 0.03 -0.04 1.67 1.63 2nz5B1 ARG 269 HD2 -0.02 0.09 0.03 -0.04 3.22 3.27 2nz5B1 ARG 269 HD3 -0.01 -0.04 0.01 -0.04 3.22 3.13 2nz5B1 MET 270 H -0.01 0.65 -0.19 -0.55 8.47 8.37 2nz5B1 MET 270 HA -0.00 -0.04 0.36 -0.75 4.52 4.08 2nz5B1 MET 270 HB2 -0.01 0.03 0.05 -0.04 2.15 2.18 2nz5B1 MET 270 HB3 -0.01 0.10 0.07 -0.04 2.03 2.15 2nz5B1 MET 270 HG2 -0.00 -0.02 -0.06 -0.04 2.63 2.50 2nz5B1 MET 270 HG3 -0.01 0.00 -0.10 -0.04 2.56 2.42 2nz5B1 MET 270 HE3 0.01 -0.01 -0.11 -0.04 2.10 1.95 2nz5B1 ARG 271 H -0.01 0.66 -0.05 -0.55 8.46 8.51 2nz5B1 ARG 271 HA -0.01 0.00 0.45 -0.75 4.34 4.03 2nz5B1 ARG 271 HB2 -0.01 0.11 0.18 -0.04 1.90 2.13 2nz5B1 ARG 271 HB3 -0.01 -0.08 0.02 -0.04 1.80 1.70 2nz5B1 ARG 271 HG2 -0.02 -0.03 0.04 -0.04 1.67 1.62 2nz5B1 ARG 271 HG3 -0.02 0.11 0.06 -0.04 1.67 1.78 2nz5B1 ARG 271 HD2 -0.01 -0.03 -0.03 -0.04 3.22 3.11 2nz5B1 ARG 271 HD3 -0.01 -0.04 0.02 -0.04 3.22 3.15 2nz5B1 GLU 272 H -0.00 0.52 -0.16 -0.55 8.60 8.41 2nz5B1 GLU 272 HA -0.00 0.01 0.44 -0.75 4.29 3.98 2nz5B1 GLU 272 HB2 -0.00 0.14 0.10 -0.04 2.09 2.29 2nz5B1 GLU 272 HB3 -0.00 -0.08 0.04 -0.04 1.99 1.91 2nz5B1 GLU 272 HG2 -0.00 -0.06 0.03 -0.04 2.34 2.27 2nz5B1 GLU 272 HG3 -0.00 0.02 -0.01 -0.04 2.34 2.31 2nz5B1 ARG 273 H -0.00 0.32 -0.53 -0.55 8.46 7.69 2nz5B1 ARG 273 HA 0.00 0.22 0.94 -0.75 4.34 4.75 2nz5B1 ARG 273 HB2 0.01 -0.09 0.07 -0.04 1.90 1.85 2nz5B1 ARG 273 HB3 0.00 -0.02 -0.10 -0.04 1.80 1.64 2nz5B1 ARG 273 HG2 0.00 0.32 0.07 -0.04 1.67 2.02 2nz5B1 ARG 273 HG3 0.01 -0.18 -0.10 -0.04 1.67 1.35 2nz5B1 ARG 273 HD2 0.01 -0.15 -0.01 -0.04 3.22 3.02 2nz5B1 ARG 273 HD3 0.01 0.20 0.09 -0.04 3.22 3.47 2nz5B1 PRO 274 HA -0.00 -0.03 0.44 -0.51 4.44 4.34 2nz5B1 PRO 274 HB2 -0.00 -0.03 0.01 -0.04 2.28 2.21 2nz5B1 PRO 274 HB3 -0.01 0.02 0.09 -0.04 2.02 2.09 2nz5B1 PRO 274 HG2 -0.00 -0.02 0.05 -0.04 2.03 2.02 2nz5B1 PRO 274 HG3 -0.01 0.21 0.08 -0.04 2.03 2.28 2nz5B1 PRO 274 HD2 0.00 0.03 0.04 -0.04 3.68 3.71 2nz5B1 PRO 274 HD3 -0.00 0.25 -0.46 -0.04 3.65 3.39 2nz5B1 GLY 275 H 0.00 0.08 0.21 -0.55 8.43 8.18 2nz5B1 GLY 275 HA2 0.01 -0.04 0.37 -0.51 4.01 3.84 2nz5B1 GLY 275 HA3 0.01 0.18 0.63 -0.51 4.01 4.32 2nz5B1 ALA 276 H 0.01 0.61 -0.22 -0.55 8.40 8.25 2nz5B1 ALA 276 HA 0.02 0.04 0.71 -0.75 4.34 4.35 2nz5B1 ALA 276 HB3 0.01 0.03 0.00 -0.04 1.41 1.42 2nz5B1 ARG 277 H 0.02 0.09 0.05 -0.55 8.46 8.06 2nz5B1 ARG 277 HA 0.02 0.26 0.80 -0.75 4.34 4.66 2nz5B1 ARG 277 HB2 0.02 -0.04 0.09 -0.04 1.90 1.92 2nz5B1 ARG 277 HB3 0.02 -0.03 0.09 -0.04 1.80 1.84 2nz5B1 ARG 277 HG2 0.01 0.06 0.02 -0.04 1.67 1.71 2nz5B1 ARG 277 HG3 0.01 0.14 -0.12 -0.04 1.67 1.65 2nz5B1 ARG 277 HD2 0.00 -0.12 -0.01 -0.04 3.22 3.05 2nz5B1 ARG 277 HD3 0.00 -0.03 -0.06 -0.04 3.22 3.08 2nz5B1 GLY 278 H 0.03 0.09 -0.12 -0.55 8.43 7.89 2nz5B1 GLY 278 HA2 0.05 0.05 0.30 -0.51 4.01 3.90 2nz5B1 GLY 278 HA3 0.05 0.09 0.29 -0.51 4.01 3.93 2nz5B1 THR 279 H 0.04 0.16 -0.10 -0.55 8.28 7.83 2nz5B1 THR 279 HA 0.08 0.09 0.37 -0.75 4.39 4.17 2nz5B1 THR 279 HB 0.05 0.06 -0.20 -0.04 4.32 4.20 2nz5B1 THR 279 HG23 0.04 0.01 -0.02 -0.04 1.22 1.21 2nz5B1 ALA 280 H 0.04 0.11 -0.28 -0.55 8.40 7.71 2nz5B1 ALA 280 HA 0.03 -0.08 0.57 -0.75 4.34 4.11 2nz5B1 ALA 280 HB3 0.02 0.05 0.11 -0.04 1.41 1.54 2nz5B1 LEU 281 H 0.05 0.69 -0.02 -0.55 8.37 8.55 2nz5B1 LEU 281 HA 0.04 0.00 0.37 -0.75 4.35 4.01 2nz5B1 LEU 281 HB2 0.07 0.13 0.07 -0.04 1.64 1.87 2nz5B1 LEU 281 HB3 0.06 -0.06 0.01 -0.04 1.64 1.61 2nz5B1 LEU 281 HG 0.04 0.10 -0.01 -0.04 1.64 1.73 2nz5B1 LEU 281 HD13 0.05 -0.03 -0.11 -0.04 0.93 0.80 2nz5B1 LEU 281 HD23 0.03 -0.01 -0.06 -0.04 0.89 0.82 2nz5B1 ASP 282 H 0.09 0.49 -0.20 -0.55 8.40 8.23 2nz5B1 ASP 282 HA 0.13 0.01 0.60 -0.75 4.63 4.62 2nz5B1 ASP 282 HB2 0.15 0.08 0.14 -0.04 2.71 3.04 2nz5B1 ASP 282 HB3 0.29 0.04 0.05 -0.04 2.70 3.04 2nz5B1 GLU 283 H 0.08 0.63 -0.08 -0.55 8.60 8.68 2nz5B1 GLU 283 HA 0.09 0.06 0.48 -0.75 4.29 4.17 2nz5B1 GLU 283 HB2 0.07 0.04 0.15 -0.04 2.09 2.31 2nz5B1 GLU 283 HB3 0.04 0.19 0.26 -0.04 1.99 2.44 2nz5B1 GLU 283 HG2 0.02 -0.56 0.16 -0.04 2.34 1.92 2nz5B1 GLU 283 HG3 0.03 0.13 -0.11 -0.04 2.34 2.35 2nz5B1 LEU 284 H 0.04 0.46 -0.23 -0.55 8.37 8.10 2nz5B1 LEU 284 HA 0.10 0.02 0.47 -0.75 4.35 4.18 2nz5B1 LEU 284 HB2 0.04 0.12 0.12 -0.04 1.64 1.88 2nz5B1 LEU 284 HB3 0.07 -0.04 0.01 -0.04 1.64 1.64 2nz5B1 LEU 284 HG 0.02 0.19 0.02 -0.04 1.64 1.82 2nz5B1 LEU 284 HD13 0.03 -0.02 -0.04 -0.04 0.93 0.85 2nz5B1 LEU 284 HD23 -0.01 -0.02 -0.04 -0.04 0.89 0.78 2nz5B1 LEU 285 H -0.04 0.36 -0.24 -0.55 8.37 7.90 2nz5B1 LEU 285 HA -0.11 0.02 0.36 -0.75 4.35 3.86 2nz5B1 LEU 285 HB2 -0.46 0.13 0.17 -0.04 1.64 1.44 2nz5B1 LEU 285 HB3 -0.59 -0.12 -0.03 -0.04 1.64 0.86 2nz5B1 LEU 285 HG -0.06 0.11 0.06 -0.04 1.64 1.71 2nz5B1 LEU 285 HD13 0.08 -0.03 -0.02 -0.04 0.93 0.91 2nz5B1 LEU 285 HD23 -0.28 -0.03 -0.03 -0.04 0.89 0.51 2nz5B1 ARG 286 H -0.12 0.34 -0.32 -0.55 8.46 7.81 2nz5B1 ARG 286 HA -0.13 -0.10 0.45 -0.75 4.34 3.81 2nz5B1 ARG 286 HB2 0.02 -0.08 0.10 -0.04 1.90 1.89 2nz5B1 ARG 286 HB3 0.00 0.09 0.16 -0.04 1.80 2.01 2nz5B1 ARG 286 HG2 -0.24 0.14 -0.28 -0.04 1.67 1.25 2nz5B1 ARG 286 HG3 -0.47 -0.16 0.06 -0.04 1.67 1.06 2nz5B1 ARG 286 HD2 -1.24 0.08 0.01 -0.04 3.22 2.03 2nz5B1 ARG 286 HD3 -0.22 -0.13 -0.03 -0.04 3.22 2.80 2nz5B1 TRP 287 H 0.21 0.34 -0.08 -0.55 7.97 7.89 2nz5B1 TRP 287 HA -0.02 0.12 0.45 -0.75 4.62 4.42 2nz5B1 TRP 287 HB2 -0.02 0.02 0.10 -0.04 3.23 3.29 2nz5B1 TRP 287 HB3 0.01 -0.05 0.11 -0.04 3.23 3.26 2nz5B1 TRP 287 HD1 -0.02 0.15 -0.20 -0.04 7.22 7.11 2nz5B1 TRP 287 HE1 -0.01 0.30 0.06 -0.04 10.20 10.52 2nz5B1 TRP 287 HE3 0.07 0.04 -0.31 -0.04 7.59 7.34 2nz5B1 TRP 287 HZ2 0.04 -0.06 -0.02 -0.04 7.44 7.36 2nz5B1 TRP 287 HZ3 0.09 -0.04 -0.09 -0.04 7.13 7.05 2nz5B1 TRP 287 HH2 0.05 -0.11 -0.21 -0.04 7.19 6.89 2nz5B1 ILE 288 H 0.30 0.44 -0.07 -0.55 8.25 8.38 2nz5B1 ILE 288 HA 0.24 -0.01 0.35 -0.75 4.18 4.01 2nz5B1 ILE 288 HB 0.14 0.06 0.04 -0.04 1.89 2.09 2nz5B1 ILE 288 HG12 0.44 -0.05 -0.04 -0.04 1.49 1.80 2nz5B1 ILE 288 HG13 0.38 0.08 0.09 -0.04 1.21 1.72 2nz5B1 ILE 288 HG23 0.19 -0.05 -0.38 -0.04 0.93 0.65 2nz5B1 ILE 288 HD13 0.18 -0.03 -0.14 -0.04 0.88 0.84 2nz5B1 SER 289 H -0.04 0.20 0.12 -0.55 8.46 8.20 2nz5B1 SER 289 HA -0.06 0.03 0.64 -0.75 4.49 4.35 2nz5B1 SER 289 HB2 -0.13 0.05 0.19 -0.04 3.95 4.02 2nz5B1 SER 289 HB3 -0.19 0.05 0.11 -0.04 3.93 3.86 2nz5B1 HIS 290 H 0.11 0.26 0.12 -0.55 8.41 8.35 2nz5B1 HIS 290 HA 0.03 0.11 0.38 -0.75 4.63 4.39 2nz5B1 HIS 290 HB2 -0.03 0.10 0.08 -0.04 3.26 3.38 2nz5B1 HIS 290 HB3 -0.02 -0.06 0.11 -0.04 3.20 3.19 2nz5B1 HIS 290 HD2 0.00 -0.04 -0.09 -0.04 6.97 6.80 2nz5B1 HIS 290 HE1 0.07 0.17 0.18 -0.04 7.75 8.13 2nz5B1 ARG 291 H 0.00 0.05 -0.02 -0.55 8.46 7.95 2nz5B1 ARG 291 HA -0.14 0.23 0.90 -0.75 4.34 4.58 2nz5B1 ARG 291 HB2 -0.04 0.05 -0.05 -0.04 1.90 1.81 2nz5B1 ARG 291 HB3 -0.08 -0.11 0.01 -0.04 1.80 1.58 2nz5B1 ARG 291 HG2 0.02 0.01 -0.10 -0.04 1.67 1.55 2nz5B1 ARG 291 HG3 0.10 -0.04 -0.07 -0.04 1.67 1.62 2nz5B1 ARG 291 HD2 0.08 0.00 -0.04 -0.04 3.22 3.22 2nz5B1 ARG 291 HD3 0.06 -0.02 0.01 -0.04 3.22 3.24 2nz5B1 THR 292 H -0.14 0.39 0.27 -0.55 8.28 8.25 2nz5B1 THR 292 HA -0.13 0.19 0.68 -0.75 4.39 4.37 2nz5B1 THR 292 HB -0.14 -0.12 0.12 -0.04 4.32 4.14 2nz5B1 THR 292 HG23 -0.10 0.08 -0.06 -0.04 1.22 1.09 2nz5B1 SER 293 H -0.25 0.00 -0.07 -0.55 8.46 7.59 2nz5B1 SER 293 HA -0.53 0.18 0.75 -0.75 4.49 4.14 2nz5B1 SER 293 HB2 -0.85 0.07 -0.11 -0.04 3.95 3.02 2nz5B1 SER 293 HB3 -0.61 -0.00 0.14 -0.04 3.93 3.42 2nz5B1 VAL 294 H -0.62 0.27 0.15 -0.55 8.24 7.50 2nz5B1 VAL 294 HA -0.11 0.17 0.86 -0.75 4.13 4.29 2nz5B1 VAL 294 HB -0.03 0.08 -0.00 -0.04 2.12 2.12 2nz5B1 VAL 294 HG13 0.11 -0.01 -0.25 -0.04 0.97 0.78 2nz5B1 VAL 294 HG23 -0.67 -0.01 -0.13 -0.04 0.95 0.11 2nz5B1 GLY 295 H 0.05 0.30 0.18 -0.55 8.43 8.41 2nz5B1 GLY 295 HA2 0.16 0.12 0.70 -0.51 4.01 4.48 2nz5B1 GLY 295 HA3 0.06 0.00 0.28 -0.51 4.01 3.84 2nz5B1 LEU 296 H 0.16 0.08 0.11 -0.55 8.37 8.18 2nz5B1 LEU 296 HA 0.00 -0.01 0.38 -0.75 4.35 3.97 2nz5B1 LEU 296 HB2 -0.04 0.14 0.02 -0.04 1.64 1.72 2nz5B1 LEU 296 HB3 -0.22 0.10 0.16 -0.04 1.64 1.64 2nz5B1 LEU 296 HG -0.01 -0.11 -0.12 -0.04 1.64 1.36 2nz5B1 LEU 296 HD13 -0.12 0.01 -0.02 -0.04 0.93 0.76 2nz5B1 LEU 296 HD23 -0.29 0.00 0.00 -0.04 0.89 0.57 2nz5B1 ALA 297 H -0.20 -0.01 -0.04 -0.55 8.40 7.61 2nz5B1 ALA 297 HA -0.61 0.14 0.37 -0.75 4.34 3.49 2nz5B1 ALA 297 HB3 -0.92 -0.02 -0.05 -0.04 1.41 0.38 2nz5B1 ARG 298 H -0.19 0.35 0.30 -0.55 8.46 8.37 2nz5B1 ARG 298 HA 0.01 0.24 0.83 -0.75 4.34 4.67 2nz5B1 ARG 298 HB2 -0.06 0.05 0.05 -0.04 1.90 1.89 2nz5B1 ARG 298 HB3 0.17 -0.05 -0.10 -0.04 1.80 1.78 2nz5B1 ARG 298 HG2 -0.01 0.02 -0.15 -0.04 1.67 1.49 2nz5B1 ARG 298 HG3 -0.10 0.06 -0.26 -0.04 1.67 1.33 2nz5B1 ARG 298 HD2 -0.18 -0.08 -0.21 -0.04 3.22 2.71 2nz5B1 ARG 298 HD3 0.03 0.00 -0.18 -0.04 3.22 3.03 2nz5B1 ILE 299 H 0.11 0.70 0.29 -0.55 8.25 8.81 2nz5B1 ILE 299 HA 0.08 0.23 0.85 -0.75 4.18 4.58 2nz5B1 ILE 299 HB 0.06 -0.13 0.02 -0.04 1.89 1.79 2nz5B1 ILE 299 HG12 0.03 -0.04 -0.33 -0.04 1.49 1.11 2nz5B1 ILE 299 HG13 0.03 -0.03 -0.38 -0.04 1.21 0.79 2nz5B1 ILE 299 HG23 0.01 0.03 -0.37 -0.04 0.93 0.56 2nz5B1 ILE 299 HD13 -0.02 0.06 -0.21 -0.04 0.88 0.66 2nz5B1 ALA 300 H 0.09 0.65 0.06 -0.55 8.40 8.65 2nz5B1 ALA 300 HA -0.54 0.08 0.49 -0.75 4.34 3.62 2nz5B1 ALA 300 HB3 -0.04 0.01 0.00 -0.04 1.41 1.33 2nz5B1 LEU 301 H -0.21 0.56 0.38 -0.55 8.37 8.55 2nz5B1 LEU 301 HA -0.04 -0.01 0.44 -0.75 4.35 3.99 2nz5B1 LEU 301 HB2 -0.09 0.15 0.28 -0.04 1.64 1.95 2nz5B1 LEU 301 HB3 -0.04 -0.05 0.05 -0.04 1.64 1.56 2nz5B1 LEU 301 HG -0.02 0.06 0.15 -0.04 1.64 1.80 2nz5B1 LEU 301 HD13 0.01 0.01 -0.07 -0.04 0.93 0.84 2nz5B1 LEU 301 HD23 0.01 -0.04 -0.02 -0.04 0.89 0.80 2nz5B1 GLU 302 H -0.15 0.24 0.02 -0.55 8.60 8.17 2nz5B1 GLU 302 HA -0.05 0.16 1.11 -0.75 4.29 4.75 2nz5B1 GLU 302 HB2 -0.05 0.04 0.06 -0.04 2.09 2.11 2nz5B1 GLU 302 HB3 -0.04 0.01 0.00 -0.04 1.99 1.92 2nz5B1 GLU 302 HG2 -0.05 0.00 0.04 -0.04 2.34 2.29 2nz5B1 GLU 302 HG3 -0.09 -0.02 0.18 -0.04 2.34 2.36 2nz5B1 ASP 303 H -0.05 0.09 0.07 -0.55 8.40 7.96 2nz5B1 ASP 303 HA -0.04 0.11 0.36 -0.75 4.63 4.31 2nz5B1 ASP 303 HB2 -0.01 -0.08 0.17 -0.04 2.71 2.75 2nz5B1 ASP 303 HB3 -0.02 0.03 -0.01 -0.04 2.70 2.66 2nz5B1 VAL 304 H -0.06 0.67 0.18 -0.55 8.24 8.49 2nz5B1 VAL 304 HA -0.04 0.17 0.86 -0.75 4.13 4.37 2nz5B1 VAL 304 HB -0.07 -0.03 -0.13 -0.04 2.12 1.85 2nz5B1 VAL 304 HG13 0.02 0.01 -0.01 -0.04 0.97 0.96 2nz5B1 VAL 304 HG23 -0.20 0.00 -0.32 -0.04 0.95 0.40 2nz5B1 GLU 305 H -0.01 0.21 0.16 -0.55 8.60 8.41 2nz5B1 GLU 305 HA -0.06 0.29 1.12 -0.75 4.29 4.88 2nz5B1 GLU 305 HB2 -0.02 -0.08 -0.12 -0.04 2.09 1.84 2nz5B1 GLU 305 HB3 -0.02 0.01 -0.08 -0.04 1.99 1.85 2nz5B1 GLU 305 HG2 -0.00 0.02 -0.02 -0.04 2.34 2.30 2nz5B1 GLU 305 HG3 -0.01 -0.01 0.02 -0.04 2.34 2.30 2nz5B1 VAL 306 H -0.10 0.61 0.21 -0.55 8.24 8.41 2nz5B1 VAL 306 HA 0.01 0.16 1.01 -0.75 4.13 4.56 2nz5B1 VAL 306 HB -0.13 0.02 0.03 -0.04 2.12 2.01 2nz5B1 VAL 306 HG13 -0.01 0.00 -0.16 -0.04 0.97 0.77 2nz5B1 VAL 306 HG23 0.06 0.01 -0.21 -0.04 0.95 0.77 2nz5B1 HIS 307 H 0.06 0.20 0.12 -0.55 8.41 8.24 2nz5B1 HIS 307 HA -0.02 0.04 0.32 -0.75 4.63 4.21 2nz5B1 HIS 307 HB2 -0.02 -0.07 -0.07 -0.04 3.26 3.06 2nz5B1 HIS 307 HB3 -0.03 0.13 0.04 -0.04 3.20 3.29 2nz5B1 HIS 307 HD2 -0.01 0.02 -0.01 -0.04 6.97 6.93 2nz5B1 HIS 307 HE1 0.01 -0.00 0.05 -0.04 7.75 7.76 2nz5B1 GLY 308 H 0.04 0.04 -0.41 -0.55 8.43 7.55 2nz5B1 GLY 308 HA2 -0.00 -0.03 0.20 -0.51 4.01 3.67 2nz5B1 GLY 308 HA3 -0.02 0.16 0.56 -0.51 4.01 4.20 2nz5B1 THR 309 H -0.06 0.53 -0.35 -0.55 8.28 7.85 2nz5B1 THR 309 HA -0.10 0.21 0.90 -0.75 4.39 4.64 2nz5B1 THR 309 HB -0.28 0.04 0.05 -0.04 4.32 4.09 2nz5B1 THR 309 HG23 -0.70 -0.01 -0.20 -0.04 1.22 0.26 2nz5B1 ARG 310 H -0.10 0.23 0.11 -0.55 8.46 8.15 2nz5B1 ARG 310 HA -0.07 0.11 0.85 -0.75 4.34 4.48 2nz5B1 ARG 310 HB2 -0.01 0.01 0.00 -0.04 1.90 1.87 2nz5B1 ARG 310 HB3 0.03 0.02 0.15 -0.04 1.80 1.95 2nz5B1 ARG 310 HG2 0.02 -0.00 -0.07 -0.04 1.67 1.58 2nz5B1 ARG 310 HG3 0.03 -0.03 -0.23 -0.04 1.67 1.40 2nz5B1 ARG 310 HD2 -0.02 0.07 -0.21 -0.04 3.22 3.02 2nz5B1 ARG 310 HD3 -0.01 -0.01 -0.14 -0.04 3.22 3.02 2nz5B1 ILE 311 H -0.10 0.83 0.35 -0.55 8.25 8.78 2nz5B1 ILE 311 HA -0.01 0.14 0.89 -0.75 4.18 4.45 2nz5B1 ILE 311 HB -0.07 0.03 0.09 -0.04 1.89 1.90 2nz5B1 ILE 311 HG12 -1.41 0.06 -0.13 -0.04 1.49 -0.03 2nz5B1 ILE 311 HG13 -0.62 -0.09 -0.31 -0.04 1.21 0.15 2nz5B1 ILE 311 HG23 0.14 -0.01 -0.16 -0.04 0.93 0.86 2nz5B1 ILE 311 HD13 -0.19 -0.01 -0.14 -0.04 0.88 0.50 2nz5B1 ALA 312 H 0.21 0.19 0.03 -0.55 8.40 8.29 2nz5B1 ALA 312 HA 0.05 -0.05 0.40 -0.75 4.34 3.98 2nz5B1 ALA 312 HB3 0.13 0.02 0.09 -0.04 1.41 1.61 2nz5B1 ALA 313 H 0.02 0.01 0.24 -0.55 8.40 8.11 2nz5B1 ALA 313 HA -0.03 0.16 0.31 -0.75 4.34 4.03 2nz5B1 ALA 313 HB3 -0.02 -0.19 0.20 -0.04 1.41 1.36 2nz5B1 GLY 314 H -0.01 1.11 0.35 -0.55 8.43 9.33 2nz5B1 GLY 314 HA2 -0.00 -0.06 0.32 -0.51 4.01 3.77 2nz5B1 GLY 314 HA3 0.00 0.08 0.56 -0.51 4.01 4.14 2nz5B1 GLU 315 H 0.07 0.40 -0.42 -0.55 8.60 8.11 2nz5B1 GLU 315 HA -0.06 0.16 0.71 -0.75 4.29 4.35 2nz5B1 GLU 315 HB2 0.31 0.06 0.05 -0.04 2.09 2.47 2nz5B1 GLU 315 HB3 0.29 0.02 0.04 -0.04 1.99 2.29 2nz5B1 GLU 315 HG2 0.02 0.01 -0.05 -0.04 2.34 2.28 2nz5B1 GLU 315 HG3 0.15 0.09 -0.14 -0.04 2.34 2.40 2nz5B1 PRO 316 HA 0.04 0.26 0.75 -0.51 4.44 4.98 2nz5B1 PRO 316 HB2 -0.11 0.00 0.03 -0.04 2.28 2.16 2nz5B1 PRO 316 HB3 -0.09 -0.00 0.10 -0.04 2.02 1.98 2nz5B1 PRO 316 HG2 -0.14 -0.09 0.33 -0.04 2.03 2.09 2nz5B1 PRO 316 HG3 -0.22 0.09 0.22 -0.04 2.03 2.08 2nz5B1 PRO 316 HD2 -0.32 0.06 0.32 -0.04 3.68 3.70 2nz5B1 PRO 316 HD3 -0.17 0.22 0.31 -0.04 3.65 3.96 2nz5B1 VAL 317 H 0.02 0.65 0.37 -0.55 8.24 8.73 2nz5B1 VAL 317 HA 0.28 0.16 0.95 -0.75 4.13 4.76 2nz5B1 VAL 317 HB 0.30 0.03 -0.22 -0.04 2.12 2.19 2nz5B1 VAL 317 HG13 -0.01 0.01 -0.09 -0.04 0.97 0.83 2nz5B1 VAL 317 HG23 0.11 -0.02 -0.25 -0.04 0.95 0.75 2nz5B1 TYR 318 H 0.28 0.96 0.28 -0.55 8.29 9.26 2nz5B1 TYR 318 HA -0.01 0.15 0.82 -0.75 4.56 4.76 2nz5B1 TYR 318 HB2 0.11 0.14 0.08 -0.04 3.06 3.35 2nz5B1 TYR 318 HB3 0.04 0.00 -0.11 -0.04 2.98 2.87 2nz5B1 TYR 318 HD2 0.02 0.09 -0.19 -0.04 7.15 7.02 2nz5B1 TYR 318 HE2 -0.04 -0.04 -0.31 -0.04 6.85 6.42 2nz5B1 VAL 319 H 0.02 0.31 0.20 -0.55 8.24 8.21 2nz5B1 VAL 319 HA -0.04 0.19 0.90 -0.75 4.13 4.42 2nz5B1 VAL 319 HB -0.29 -0.02 -0.02 -0.04 2.12 1.75 2nz5B1 VAL 319 HG13 -0.15 0.01 -0.18 -0.04 0.97 0.61 2nz5B1 VAL 319 HG23 -0.44 0.01 -0.01 -0.04 0.95 0.47 2nz5B1 SER 320 H -0.06 0.43 0.08 -0.55 8.46 8.36 2nz5B1 SER 320 HA -0.06 0.19 0.99 -0.75 4.49 4.86 2nz5B1 SER 320 HB2 0.13 0.09 -0.07 -0.04 3.95 4.06 2nz5B1 SER 320 HB3 0.07 0.11 0.18 -0.04 3.93 4.25 2nz5B1 TYR 321 H -0.14 0.28 0.06 -0.55 8.29 7.94 2nz5B1 TYR 321 HA 0.05 0.06 0.43 -0.75 4.56 4.35 2nz5B1 TYR 321 HB2 0.03 0.02 0.05 -0.04 3.06 3.12 2nz5B1 TYR 321 HB3 0.05 0.10 -0.05 -0.04 2.98 3.03 2nz5B1 TYR 321 HD2 0.01 -0.01 -0.03 -0.04 7.15 7.08 2nz5B1 TYR 321 HE2 -0.01 0.05 -0.07 -0.04 6.85 6.78 2nz5B1 LEU 322 H 0.12 0.06 -0.12 -0.55 8.37 7.88 2nz5B1 LEU 322 HA 0.11 0.24 0.39 -0.75 4.35 4.34 2nz5B1 LEU 322 HB2 0.02 -0.08 0.04 -0.04 1.64 1.58 2nz5B1 LEU 322 HB3 0.00 0.12 0.00 -0.04 1.64 1.73 2nz5B1 LEU 322 HG 0.03 -0.04 0.08 -0.04 1.64 1.67 2nz5B1 LEU 322 HD13 -0.11 -0.02 0.03 -0.04 0.93 0.79 2nz5B1 LEU 322 HD23 0.07 0.01 0.07 -0.04 0.89 0.99 2nz5B1 ALA 323 H 0.15 -0.02 -0.28 -0.55 8.40 7.71 2nz5B1 ALA 323 HA 0.32 0.09 0.30 -0.75 4.34 4.29 2nz5B1 ALA 323 HB3 0.14 0.02 0.05 -0.04 1.41 1.58 2nz5B1 ALA 324 H 0.14 0.49 -0.19 -0.55 8.40 8.30 2nz5B1 ALA 324 HA 0.22 -0.02 0.35 -0.75 4.34 4.13 2nz5B1 ALA 324 HB3 0.17 -0.01 0.01 -0.04 1.41 1.53 2nz5B1 ASN 325 H 0.18 0.60 -0.31 -0.55 8.53 8.45 2nz5B1 ASN 325 HA 0.10 -0.09 0.38 -0.75 4.76 4.40 2nz5B1 ASN 325 HB2 0.04 0.21 0.19 -0.04 2.88 3.28 2nz5B1 ASN 325 HB3 -0.15 0.12 0.14 -0.04 2.79 2.86 2nz5B1 ASN 325 HD21 0.07 -0.29 -0.21 -0.04 7.03 6.55 2nz5B1 ASN 325 HD22 0.03 0.21 -0.03 -0.04 7.74 7.91 2nz5B1 ARG 326 H 0.09 0.39 -0.77 -0.55 8.46 7.62 2nz5B1 ARG 326 HA -0.06 0.22 0.80 -0.75 4.34 4.55 2nz5B1 ARG 326 HB2 -0.15 0.04 0.06 -0.04 1.90 1.81 2nz5B1 ARG 326 HB3 -0.22 -0.14 0.09 -0.04 1.80 1.49 2nz5B1 ARG 326 HG2 -0.12 0.17 -0.17 -0.04 1.67 1.51 2nz5B1 ARG 326 HG3 -0.76 -0.14 -0.07 -0.04 1.67 0.65 2nz5B1 ARG 326 HD2 -0.28 -0.12 -0.18 -0.04 3.22 2.60 2nz5B1 ARG 326 HD3 -0.19 0.15 -0.12 -0.04 3.22 3.02 2nz5B1 ASP 327 H 0.38 0.43 -0.23 -0.55 8.40 8.43 2nz5B1 ASP 327 HA 0.13 0.12 0.52 -0.75 4.63 4.65 2nz5B1 ASP 327 HB2 0.31 0.24 0.29 -0.04 2.71 3.51 2nz5B1 ASP 327 HB3 0.17 -0.06 0.17 -0.04 2.70 2.94 2nz5B1 PRO 328 HA 0.05 0.19 0.34 -0.51 4.44 4.51 2nz5B1 PRO 328 HB2 0.02 -0.05 0.10 -0.04 2.28 2.31 2nz5B1 PRO 328 HB3 0.02 -0.01 0.10 -0.04 2.02 2.09 2nz5B1 PRO 328 HG2 0.01 0.02 0.11 -0.04 2.03 2.14 2nz5B1 PRO 328 HG3 0.01 0.09 0.15 -0.04 2.03 2.24 2nz5B1 PRO 328 HD2 0.05 -0.04 0.23 -0.04 3.68 3.89 2nz5B1 PRO 328 HD3 0.04 0.47 0.41 -0.04 3.65 4.53 2nz5B1 ASP 329 H 0.02 0.09 -0.21 -0.55 8.40 7.75 2nz5B1 ASP 329 HA -0.03 0.12 0.38 -0.75 4.63 4.35 2nz5B1 ASP 329 HB2 -0.00 -0.06 0.03 -0.04 2.71 2.64 2nz5B1 ASP 329 HB3 -0.03 0.01 0.14 -0.04 2.70 2.78 2nz5B1 VAL 330 H -0.09 0.51 -0.63 -0.55 8.24 7.47 2nz5B1 VAL 330 HA -0.38 0.13 0.89 -0.75 4.13 4.03 2nz5B1 VAL 330 HB -0.52 0.08 0.02 -0.04 2.12 1.67 2nz5B1 VAL 330 HG13 -1.62 -0.00 -0.08 -0.04 0.97 -0.77 2nz5B1 VAL 330 HG23 -0.43 -0.06 -0.18 -0.04 0.95 0.23 2nz5B1 PHE 331 H 0.00 0.57 -0.01 -0.55 8.34 8.36 2nz5B1 PHE 331 HA -0.01 0.12 0.80 -0.75 4.62 4.77 2nz5B1 PHE 331 HB2 0.01 -0.02 -0.01 -0.04 3.15 3.09 2nz5B1 PHE 331 HB3 0.03 0.04 -0.02 -0.04 3.06 3.07 2nz5B1 PHE 331 HD2 0.02 -0.07 -0.12 -0.04 7.28 7.07 2nz5B1 PHE 331 HE2 0.08 -0.08 -0.15 -0.04 7.38 7.20 2nz5B1 PHE 331 HZ 0.12 0.12 -0.38 -0.04 7.32 7.13 2nz5B1 PRO 332 HA 0.04 0.01 0.46 -0.51 4.44 4.45 2nz5B1 PRO 332 HB2 0.03 -0.01 -0.00 -0.04 2.28 2.26 2nz5B1 PRO 332 HB3 0.02 -0.03 0.05 -0.04 2.02 2.02 2nz5B1 PRO 332 HG2 -0.01 -0.01 -0.01 -0.04 2.03 1.96 2nz5B1 PRO 332 HG3 -0.01 0.07 -0.02 -0.04 2.03 2.03 2nz5B1 PRO 332 HD2 0.03 0.06 0.07 -0.04 3.68 3.79 2nz5B1 PRO 332 HD3 -0.05 0.18 -0.37 -0.04 3.65 3.36 2nz5B1 ASP 333 H 0.04 0.06 0.18 -0.55 8.40 8.13 2nz5B1 ASP 333 HA 0.04 -0.04 0.37 -0.75 4.63 4.24 2nz5B1 ASP 333 HB2 0.03 -0.05 -0.09 -0.04 2.71 2.56 2nz5B1 ASP 333 HB3 0.05 0.15 0.13 -0.04 2.70 2.99 2nz5B1 PRO 334 HA 0.11 0.12 0.28 -0.51 4.44 4.45 2nz5B1 PRO 334 HB2 0.00 -0.00 -0.04 -0.04 2.28 2.20 2nz5B1 PRO 334 HB3 0.13 0.18 -0.16 -0.04 2.02 2.13 2nz5B1 PRO 334 HG2 -0.01 -0.08 0.02 -0.04 2.03 1.92 2nz5B1 PRO 334 HG3 0.02 0.04 0.03 -0.04 2.03 2.08 2nz5B1 PRO 334 HD2 0.03 -0.08 0.21 -0.04 3.68 3.80 2nz5B1 PRO 334 HD3 0.06 0.15 0.18 -0.04 3.65 3.99 2nz5B1 ASP 335 H 0.05 -0.04 -0.30 -0.55 8.40 7.56 2nz5B1 ASP 335 HA 0.13 0.20 0.63 -0.75 4.63 4.84 2nz5B1 ASP 335 HB2 0.06 -0.07 0.01 -0.04 2.71 2.66 2nz5B1 ASP 335 HB3 0.12 -0.03 0.03 -0.04 2.70 2.79 2nz5B1 ARG 336 H 0.11 0.22 -0.28 -0.55 8.46 7.95 2nz5B1 ARG 336 HA 0.06 0.00 0.50 -0.75 4.34 4.15 2nz5B1 ARG 336 HB2 0.05 -0.12 0.06 -0.04 1.90 1.84 2nz5B1 ARG 336 HB3 0.06 0.24 0.09 -0.04 1.80 2.15 2nz5B1 ARG 336 HG2 0.01 0.05 -0.34 -0.04 1.67 1.35 2nz5B1 ARG 336 HG3 -0.00 -0.05 0.02 -0.04 1.67 1.59 2nz5B1 ARG 336 HD2 0.01 -0.01 -0.04 -0.04 3.22 3.13 2nz5B1 ARG 336 HD3 0.02 -0.05 -0.01 -0.04 3.22 3.13 2nz5B1 ILE 337 H -0.12 0.09 0.13 -0.55 8.25 7.81 2nz5B1 ILE 337 HA -0.08 0.18 0.71 -0.75 4.18 4.25 2nz5B1 ILE 337 HB -0.28 -0.05 0.14 -0.04 1.89 1.67 2nz5B1 ILE 337 HG12 -0.93 0.08 -0.06 -0.04 1.49 0.55 2nz5B1 ILE 337 HG13 -1.02 0.06 -0.03 -0.04 1.21 0.18 2nz5B1 ILE 337 HG23 -0.17 -0.01 -0.22 -0.04 0.93 0.49 2nz5B1 ILE 337 HD13 -1.05 -0.01 -0.03 -0.04 0.88 -0.25 2nz5B1 ASP 338 H 0.02 0.19 0.13 -0.55 8.40 8.19 2nz5B1 ASP 338 HA -0.00 0.25 0.83 -0.75 4.63 4.95 2nz5B1 ASP 338 HB2 0.05 0.21 0.01 -0.04 2.71 2.94 2nz5B1 ASP 338 HB3 0.05 -0.10 0.12 -0.04 2.70 2.72 2nz5B1 LEU 339 H 0.02 0.15 0.07 -0.55 8.37 8.07 2nz5B1 LEU 339 HA 0.02 0.07 0.36 -0.75 4.35 4.05 2nz5B1 LEU 339 HB2 -0.00 0.32 0.20 -0.04 1.64 2.11 2nz5B1 LEU 339 HB3 0.00 -0.02 0.03 -0.04 1.64 1.61 2nz5B1 LEU 339 HG -0.04 -0.00 -0.44 -0.04 1.64 1.12 2nz5B1 LEU 339 HD13 -0.02 -0.00 -0.05 -0.04 0.93 0.81 2nz5B1 LEU 339 HD23 -0.01 -0.03 0.01 -0.04 0.89 0.81 2nz5B1 ASP 340 H 0.02 0.35 -0.73 -0.55 8.40 7.49 2nz5B1 ASP 340 HA 0.03 0.17 0.70 -0.75 4.63 4.78 2nz5B1 ASP 340 HB2 0.02 0.00 -0.03 -0.04 2.71 2.66 2nz5B1 ASP 340 HB3 0.02 -0.02 0.04 -0.04 2.70 2.70 2nz5B1 ARG 341 H 0.05 -0.13 -0.33 -0.55 8.46 7.50 2nz5B1 ARG 341 HA 0.06 -0.08 0.26 -0.75 4.34 3.82 2nz5B1 ARG 341 HB2 0.08 -0.12 0.07 -0.04 1.90 1.89 2nz5B1 ARG 341 HB3 0.10 0.05 0.00 -0.04 1.80 1.91 2nz5B1 ARG 341 HG2 0.13 -0.02 -0.32 -0.04 1.67 1.42 2nz5B1 ARG 341 HG3 0.11 0.01 -0.04 -0.04 1.67 1.71 2nz5B1 ARG 341 HD2 0.17 -0.02 -0.05 -0.04 3.22 3.28 2nz5B1 ARG 341 HD3 0.32 0.03 -0.05 -0.04 3.22 3.48 2nz5B1 ASP 342 H 0.04 -0.00 0.10 -0.55 8.40 8.00 2nz5B1 ASP 342 HA 0.03 0.06 0.28 -0.75 4.63 4.25 2nz5B1 ASP 342 HB2 0.02 0.02 0.21 -0.04 2.71 2.91 2nz5B1 ASP 342 HB3 0.02 -0.03 0.16 -0.04 2.70 2.81 2nz5B1 PRO 343 HA 0.03 0.08 0.52 -0.51 4.44 4.56 2nz5B1 PRO 343 HB2 -0.00 -0.01 0.04 -0.04 2.28 2.28 2nz5B1 PRO 343 HB3 0.01 0.02 0.02 -0.04 2.02 2.02 2nz5B1 PRO 343 HG2 -0.01 0.02 0.07 -0.04 2.03 2.07 2nz5B1 PRO 343 HG3 0.01 0.03 0.05 -0.04 2.03 2.07 2nz5B1 PRO 343 HD2 0.00 0.09 0.18 -0.04 3.68 3.91 2nz5B1 PRO 343 HD3 0.01 0.06 0.15 -0.04 3.65 3.83 2nz5B1 ASN 344 H 0.08 0.02 -0.25 -0.55 8.53 7.84 2nz5B1 ASN 344 HA 0.32 0.03 0.22 -0.75 4.76 4.58 2nz5B1 ASN 344 HB2 0.16 0.05 -0.26 -0.04 2.88 2.80 2nz5B1 ASN 344 HB3 0.13 0.21 -0.15 -0.04 2.79 2.94 2nz5B1 ASN 344 HD21 0.25 -0.01 -0.08 -0.04 7.03 7.16 2nz5B1 ASN 344 HD22 0.39 0.06 -0.16 -0.04 7.74 7.99 2nz5B1 PRO 345 HA 0.01 0.18 0.60 -0.51 4.44 4.72 2nz5B1 PRO 345 HB2 0.13 -0.00 0.11 -0.04 2.28 2.48 2nz5B1 PRO 345 HB3 0.02 -0.01 -0.01 -0.04 2.02 1.98 2nz5B1 PRO 345 HG2 -0.19 0.03 0.02 -0.04 2.03 1.86 2nz5B1 PRO 345 HG3 -0.20 0.01 0.03 -0.04 2.03 1.82 2nz5B1 PRO 345 HD2 0.10 0.15 0.03 -0.04 3.68 3.93 2nz5B1 PRO 345 HD3 -0.01 -0.01 0.00 -0.04 3.65 3.60 2nz5B1 HIS 346 H -0.13 0.36 -0.19 -0.55 8.41 7.90 2nz5B1 HIS 346 HA 0.33 0.13 0.47 -0.75 4.63 4.81 2nz5B1 HIS 346 HB2 0.02 -0.03 0.06 -0.04 3.26 3.27 2nz5B1 HIS 346 HB3 -0.00 0.08 0.03 -0.04 3.20 3.27 2nz5B1 HIS 346 HD2 0.08 0.10 0.03 -0.04 6.97 7.14 2nz5B1 HIS 346 HE1 0.17 -0.06 -0.04 -0.04 7.75 7.79 2nz5B1 LEU 347 H 0.28 0.22 0.07 -0.55 8.37 8.40 2nz5B1 LEU 347 HA 0.13 0.27 0.74 -0.75 4.35 4.73 2nz5B1 LEU 347 HB2 0.20 0.02 0.07 -0.04 1.64 1.89 2nz5B1 LEU 347 HB3 -0.11 -0.07 0.06 -0.04 1.64 1.48 2nz5B1 LEU 347 HG 0.25 0.06 -0.11 -0.04 1.64 1.80 2nz5B1 LEU 347 HD13 -0.08 -0.02 -0.11 -0.04 0.93 0.67 2nz5B1 LEU 347 HD23 0.08 0.05 -0.24 -0.04 0.89 0.73 2nz5B1 ALA 348 H 0.29 0.18 -0.32 -0.55 8.40 7.99 2nz5B1 ALA 348 HA -0.12 0.09 0.34 -0.75 4.34 3.90 2nz5B1 ALA 348 HB3 -0.42 0.05 -0.03 -0.04 1.41 0.97 2nz5B1 TYR 349 H 0.04 0.14 -0.32 -0.55 8.29 7.60 2nz5B1 TYR 349 HA -0.27 0.16 0.74 -0.75 4.56 4.44 2nz5B1 TYR 349 HB2 -0.14 0.09 0.02 -0.04 3.06 2.99 2nz5B1 TYR 349 HB3 -0.96 -0.13 0.19 -0.04 2.98 2.04 2nz5B1 TYR 349 HD2 -0.04 0.01 -0.02 -0.04 7.15 7.07 2nz5B1 TYR 349 HE2 -0.00 0.01 -0.08 -0.04 6.85 6.74 2nz5B1 GLY 350 H -0.37 0.48 -0.47 -0.55 8.43 7.52 2nz5B1 GLY 350 HA2 -1.35 0.05 0.26 -0.51 4.01 2.45 2nz5B1 GLY 350 HA3 -0.31 0.10 0.46 -0.51 4.01 3.75 2nz5B1 ASN 351 H -0.02 0.22 0.00 -0.55 8.53 8.19 2nz5B1 ASN 351 HA 0.15 0.10 0.66 -0.75 4.76 4.92 2nz5B1 ASN 351 HB2 0.02 0.04 -0.31 -0.04 2.88 2.58 2nz5B1 ASN 351 HB3 0.08 -0.01 -0.03 -0.04 2.79 2.79 2nz5B1 ASN 351 HD21 -0.00 -0.01 -0.05 -0.04 7.03 6.93 2nz5B1 ASN 351 HD22 -0.01 -0.08 -0.02 -0.04 7.74 7.59 2nz5B1 GLY 352 H 0.04 0.21 0.10 -0.55 8.43 8.23 2nz5B1 GLY 352 HA2 -0.01 0.06 0.29 -0.51 4.01 3.83 2nz5B1 GLY 352 HA3 -0.11 0.32 0.97 -0.51 4.01 4.68 2nz5B1 HIS 353 H -0.69 0.24 0.20 -0.55 8.41 7.61 2nz5B1 HIS 353 HA -0.09 0.15 0.65 -0.75 4.63 4.58 2nz5B1 HIS 353 HB2 -0.83 0.03 0.02 -0.04 3.26 2.44 2nz5B1 HIS 353 HB3 -0.26 -0.00 0.09 -0.04 3.20 2.99 2nz5B1 HIS 353 HD2 -1.08 0.06 -0.03 -0.04 6.97 5.88 2nz5B1 HIS 353 HE1 -0.01 0.07 -0.01 -0.04 7.75 7.76 2nz5B1 HIS 354 H -0.37 0.11 -0.10 -0.55 8.41 7.51 2nz5B1 HIS 354 HA 0.26 0.14 0.43 -0.75 4.63 4.71 2nz5B1 HIS 354 HB2 -0.09 0.03 0.01 -0.04 3.26 3.18 2nz5B1 HIS 354 HB3 0.01 -0.02 0.12 -0.04 3.20 3.27 2nz5B1 HIS 354 HD2 0.16 -0.04 -0.04 -0.04 6.97 7.01 2nz5B1 HIS 354 HE1 0.18 -0.15 0.00 -0.04 7.75 7.74 2nz5B1 PHE 355 H 0.18 0.10 -1.29 -0.55 8.34 6.78 2nz5B1 PHE 355 HA -0.01 0.07 0.23 -0.75 4.62 4.16 2nz5B1 PHE 355 HB2 -0.02 0.08 -0.05 -0.04 3.15 3.12 2nz5B1 PHE 355 HB3 -0.00 0.00 -0.09 -0.04 3.06 2.92 2nz5B1 PHE 355 HD2 -0.03 0.01 -0.31 -0.04 7.28 6.91 2nz5B1 PHE 355 HE2 -0.02 -0.03 -0.07 -0.04 7.38 7.21 2nz5B1 PHE 355 HZ -0.03 -0.05 -0.04 -0.04 7.32 7.17 2nz5B1 CYS 356 H -0.81 0.51 0.21 -0.55 8.50 7.85 2nz5B1 CYS 356 HA -0.17 0.02 0.34 -0.75 4.58 4.02 2nz5B1 CYS 356 HB2 -0.24 0.18 0.18 -0.04 2.97 3.06 2nz5B1 CYS 356 HB3 -0.59 -0.07 0.19 -0.04 2.97 2.46 2nz5B1 THR 357 H -0.14 0.16 0.18 -0.55 8.28 7.93 2nz5B1 THR 357 HA -0.10 0.16 0.44 -0.75 4.39 4.13 2nz5B1 THR 357 HB -0.40 -0.05 0.02 -0.04 4.32 3.86 2nz5B1 THR 357 HG23 -0.57 0.01 0.03 -0.04 1.22 0.65 2nz5B1 GLY 358 H -0.18 0.05 -0.32 -0.55 8.43 7.44 2nz5B1 GLY 358 HA2 0.01 0.23 0.81 -0.51 4.01 4.55 2nz5B1 GLY 358 HA3 -0.06 0.05 0.25 -0.51 4.01 3.74 2nz5B1 ALA 359 H -0.25 0.47 -0.32 -0.55 8.40 7.75 2nz5B1 ALA 359 HA -0.99 0.05 0.30 -0.75 4.34 2.95 2nz5B1 ALA 359 HB3 -0.53 0.03 0.07 -0.04 1.41 0.94 2nz5B1 VAL 360 H -0.06 0.22 -0.19 -0.55 8.24 7.66 2nz5B1 VAL 360 HA -0.03 0.07 0.42 -0.75 4.13 3.83 2nz5B1 VAL 360 HB 0.04 0.16 -0.02 -0.04 2.12 2.26 2nz5B1 VAL 360 HG13 0.02 -0.02 -0.20 -0.04 0.97 0.73 2nz5B1 VAL 360 HG23 0.03 -0.01 0.01 -0.04 0.95 0.94 2nz5B1 LEU 361 H 0.05 0.14 -0.22 -0.55 8.37 7.79 2nz5B1 LEU 361 HA 0.03 0.05 0.43 -0.75 4.35 4.11 2nz5B1 LEU 361 HB2 0.16 0.06 0.11 -0.04 1.64 1.93 2nz5B1 LEU 361 HB3 0.14 0.01 0.16 -0.04 1.64 1.91 2nz5B1 LEU 361 HG 0.03 -0.02 -0.23 -0.04 1.64 1.39 2nz5B1 LEU 361 HD13 -0.03 -0.00 0.01 -0.04 0.93 0.86 2nz5B1 LEU 361 HD23 0.11 0.01 -0.02 -0.04 0.89 0.95 2nz5B1 ALA 362 H 0.00 0.92 -0.08 -0.55 8.40 8.70 2nz5B1 ALA 362 HA 0.05 -0.01 0.36 -0.75 4.34 3.99 2nz5B1 ALA 362 HB3 0.07 0.02 -0.01 -0.04 1.41 1.45 2nz5B1 ARG 363 H 0.01 0.38 -0.29 -0.55 8.46 8.00 2nz5B1 ARG 363 HA 0.11 0.05 0.47 -0.75 4.34 4.22 2nz5B1 ARG 363 HB2 0.08 0.06 0.09 -0.04 1.90 2.09 2nz5B1 ARG 363 HB3 0.03 0.06 0.18 -0.04 1.80 2.02 2nz5B1 ARG 363 HG2 0.08 -0.01 -0.04 -0.04 1.67 1.65 2nz5B1 ARG 363 HG3 0.06 -0.02 -0.31 -0.04 1.67 1.36 2nz5B1 ARG 363 HD2 0.09 -0.09 0.09 -0.04 3.22 3.27 2nz5B1 ARG 363 HD3 0.15 0.05 -0.00 -0.04 3.22 3.37 2nz5B1 MET 364 H 0.04 0.55 -0.11 -0.55 8.47 8.41 2nz5B1 MET 364 HA 0.05 0.00 0.42 -0.75 4.52 4.24 2nz5B1 MET 364 HB2 0.03 -0.01 0.09 -0.04 2.15 2.23 2nz5B1 MET 364 HB3 0.04 0.16 0.14 -0.04 2.03 2.33 2nz5B1 MET 364 HG2 0.05 -0.06 0.04 -0.04 2.63 2.61 2nz5B1 MET 364 HG3 0.03 0.04 -0.03 -0.04 2.56 2.55 2nz5B1 MET 364 HE3 0.01 0.05 -0.04 -0.04 2.10 2.08 2nz5B1 GLN 365 H 0.08 0.42 -0.26 -0.55 8.47 8.16 2nz5B1 GLN 365 HA 0.27 0.02 0.43 -0.75 4.36 4.33 2nz5B1 GLN 365 HB2 0.10 0.10 0.11 -0.04 2.15 2.43 2nz5B1 GLN 365 HB3 0.26 -0.03 -0.03 -0.04 2.02 2.18 2nz5B1 GLN 365 HG2 -0.03 -0.06 -0.03 -0.04 2.40 2.24 2nz5B1 GLN 365 HG3 0.02 0.35 0.05 -0.04 2.39 2.77 2nz5B1 GLN 365 HE21 -0.12 0.00 -0.03 -0.04 6.97 6.78 2nz5B1 GLN 365 HE22 -0.09 0.01 -0.10 -0.04 7.69 7.46 2nz5B1 THR 366 H 0.10 0.57 -0.13 -0.55 8.28 8.27 2nz5B1 THR 366 HA 0.08 0.00 0.35 -0.75 4.39 4.07 2nz5B1 THR 366 HB 0.08 0.12 0.16 -0.04 4.32 4.65 2nz5B1 THR 366 HG23 0.06 -0.02 -0.07 -0.04 1.22 1.15 2nz5B1 GLU 367 H 0.07 0.55 -0.22 -0.55 8.60 8.45 2nz5B1 GLU 367 HA 0.03 -0.02 0.35 -0.75 4.29 3.89 2nz5B1 GLU 367 HB2 0.04 0.13 0.13 -0.04 2.09 2.35 2nz5B1 GLU 367 HB3 0.03 -0.07 -0.01 -0.04 1.99 1.90 2nz5B1 GLU 367 HG2 0.04 -0.09 -0.00 -0.04 2.34 2.25 2nz5B1 GLU 367 HG3 0.06 0.34 0.09 -0.04 2.34 2.78 2nz5B1 LEU 368 H 0.05 0.50 -0.15 -0.55 8.37 8.23 2nz5B1 LEU 368 HA -0.03 -0.01 0.38 -0.75 4.35 3.93 2nz5B1 LEU 368 HB2 0.04 0.11 0.14 -0.04 1.64 1.89 2nz5B1 LEU 368 HB3 -0.10 -0.05 -0.03 -0.04 1.64 1.43 2nz5B1 LEU 368 HG 0.07 0.20 0.09 -0.04 1.64 1.95 2nz5B1 LEU 368 HD13 0.17 -0.01 -0.10 -0.04 0.93 0.94 2nz5B1 LEU 368 HD23 0.01 -0.02 0.01 -0.04 0.89 0.84 2nz5B1 LEU 369 H -0.03 0.66 -0.14 -0.55 8.37 8.31 2nz5B1 LEU 369 HA -0.22 -0.02 0.32 -0.75 4.35 3.67 2nz5B1 LEU 369 HB2 0.01 0.14 0.18 -0.04 1.64 1.93 2nz5B1 LEU 369 HB3 -0.05 -0.05 -0.04 -0.04 1.64 1.46 2nz5B1 LEU 369 HG -0.04 0.09 0.00 -0.04 1.64 1.65 2nz5B1 LEU 369 HD13 0.18 -0.03 -0.17 -0.04 0.93 0.87 2nz5B1 LEU 369 HD23 -0.27 -0.02 -0.11 -0.04 0.89 0.45 2nz5B1 VAL 370 H -0.01 0.74 0.00 -0.55 8.24 8.42 2nz5B1 VAL 370 HA -0.03 0.01 0.30 -0.75 4.13 3.65 2nz5B1 VAL 370 HB 0.00 0.02 0.10 -0.04 2.12 2.19 2nz5B1 VAL 370 HG13 -0.01 -0.01 -0.13 -0.04 0.97 0.78 2nz5B1 VAL 370 HG23 0.01 0.03 0.01 -0.04 0.95 0.96 2nz5B1 ASP 371 H -0.03 0.67 -0.10 -0.55 8.40 8.40 2nz5B1 ASP 371 HA -0.03 0.02 0.43 -0.75 4.63 4.29 2nz5B1 ASP 371 HB2 -0.03 0.09 0.16 -0.04 2.71 2.88 2nz5B1 ASP 371 HB3 -0.03 -0.06 -0.00 -0.04 2.70 2.57 2nz5B1 THR 372 H -0.09 0.90 0.02 -0.55 8.28 8.56 2nz5B1 THR 372 HA -0.08 -0.00 0.45 -0.75 4.39 4.00 2nz5B1 THR 372 HB -0.17 0.09 0.06 -0.04 4.32 4.26 2nz5B1 THR 372 HG23 -0.14 -0.02 -0.15 -0.04 1.22 0.87 2nz5B1 LEU 373 H -0.11 0.67 -0.12 -0.55 8.37 8.27 2nz5B1 LEU 373 HA -0.17 0.03 0.44 -0.75 4.35 3.90 2nz5B1 LEU 373 HB2 -0.09 0.12 0.08 -0.04 1.64 1.72 2nz5B1 LEU 373 HB3 -0.11 -0.04 -0.04 -0.04 1.64 1.41 2nz5B1 LEU 373 HG -0.15 0.07 0.03 -0.04 1.64 1.56 2nz5B1 LEU 373 HD13 -0.08 -0.03 -0.11 -0.04 0.93 0.66 2nz5B1 LEU 373 HD23 -0.18 -0.01 -0.10 -0.04 0.89 0.55 2nz5B1 LEU 374 H -0.07 0.49 -0.15 -0.55 8.37 8.10 2nz5B1 LEU 374 HA -0.07 0.08 0.47 -0.75 4.35 4.08 2nz5B1 LEU 374 HB2 -0.04 0.07 0.11 -0.04 1.64 1.74 2nz5B1 LEU 374 HB3 -0.04 -0.04 -0.00 -0.04 1.64 1.52 2nz5B1 LEU 374 HG -0.04 0.04 0.03 -0.04 1.64 1.64 2nz5B1 LEU 374 HD13 -0.02 -0.02 -0.14 -0.04 0.93 0.70 2nz5B1 LEU 374 HD23 -0.03 -0.01 -0.02 -0.04 0.89 0.78 2nz5B1 GLU 375 H -0.07 0.41 -0.21 -0.55 8.60 8.18 2nz5B1 GLU 375 HA -0.04 0.05 0.54 -0.75 4.29 4.08 2nz5B1 GLU 375 HB2 -0.04 -0.08 0.09 -0.04 2.09 2.02 2nz5B1 GLU 375 HB3 -0.06 0.17 0.21 -0.04 1.99 2.27 2nz5B1 GLU 375 HG2 -0.06 0.08 -0.42 -0.04 2.34 1.89 2nz5B1 GLU 375 HG3 -0.04 -0.06 -0.06 -0.04 2.34 2.15 2nz5B1 ARG 376 H -0.11 0.58 -0.11 -0.55 8.46 8.27 2nz5B1 ARG 376 HA -0.10 0.16 0.81 -0.75 4.34 4.46 2nz5B1 ARG 376 HB2 -0.17 0.09 0.03 -0.04 1.90 1.81 2nz5B1 ARG 376 HB3 -0.16 -0.05 0.08 -0.04 1.80 1.63 2nz5B1 ARG 376 HG2 -0.08 -0.07 -0.19 -0.04 1.67 1.29 2nz5B1 ARG 376 HG3 -0.10 -0.01 0.03 -0.04 1.67 1.54 2nz5B1 ARG 376 HD2 -0.08 0.03 -0.00 -0.04 3.22 3.12 2nz5B1 ARG 376 HD3 -0.06 -0.06 -0.04 -0.04 3.22 3.03 2nz5B1 LEU 377 H -0.17 0.37 -0.34 -0.55 8.37 7.69 2nz5B1 LEU 377 HA -0.41 0.20 0.82 -0.75 4.35 4.20 2nz5B1 LEU 377 HB2 -0.24 0.11 0.21 -0.04 1.64 1.67 2nz5B1 LEU 377 HB3 -0.42 -0.03 0.04 -0.04 1.64 1.19 2nz5B1 LEU 377 HG -0.41 -0.06 -0.23 -0.04 1.64 0.90 2nz5B1 LEU 377 HD13 -0.44 -0.03 -0.08 -0.04 0.93 0.34 2nz5B1 LEU 377 HD23 -1.35 0.06 -0.12 -0.04 0.89 -0.56 2nz5B1 PRO 378 HA -0.07 0.07 0.54 -0.51 4.44 4.48 2nz5B1 PRO 378 HB2 0.05 -0.05 0.03 -0.04 2.28 2.27 2nz5B1 PRO 378 HB3 0.00 0.10 0.08 -0.04 2.02 2.16 2nz5B1 PRO 378 HG2 0.09 -0.04 0.06 -0.04 2.03 2.10 2nz5B1 PRO 378 HG3 0.05 0.03 0.02 -0.04 2.03 2.09 2nz5B1 PRO 378 HD2 -0.04 0.18 0.06 -0.04 3.68 3.84 2nz5B1 PRO 378 HD3 -0.06 0.18 -0.32 -0.04 3.65 3.41 2nz5B1 GLY 379 H -0.14 0.16 0.21 -0.55 8.43 8.12 2nz5B1 GLY 379 HA2 -0.23 0.00 0.33 -0.51 4.01 3.61 2nz5B1 GLY 379 HA3 -1.11 -0.03 0.50 -0.51 4.01 2.85 2nz5B1 LEU 380 H -0.07 0.12 -0.17 -0.55 8.37 7.71 2nz5B1 LEU 380 HA 0.11 0.23 0.46 -0.75 4.35 4.41 2nz5B1 LEU 380 HB2 -0.04 0.42 0.16 -0.04 1.64 2.14 2nz5B1 LEU 380 HB3 -0.03 -0.12 0.11 -0.04 1.64 1.57 2nz5B1 LEU 380 HG 0.02 -0.07 -0.21 -0.04 1.64 1.33 2nz5B1 LEU 380 HD13 0.05 0.02 0.00 -0.04 0.93 0.96 2nz5B1 LEU 380 HD23 -0.05 -0.01 -0.09 -0.04 0.89 0.70 2nz5B1 ARG 381 H 0.10 0.42 0.36 -0.55 8.46 8.78 2nz5B1 ARG 381 HA 0.02 -0.02 0.31 -0.75 4.34 3.89 2nz5B1 ARG 381 HB2 0.01 -0.08 0.19 -0.04 1.90 1.98 2nz5B1 ARG 381 HB3 0.00 0.21 0.26 -0.04 1.80 2.24 2nz5B1 ARG 381 HG2 0.02 0.21 -0.24 -0.04 1.67 1.63 2nz5B1 ARG 381 HG3 0.02 0.03 -0.16 -0.04 1.67 1.52 2nz5B1 ARG 381 HD2 0.01 0.01 -0.08 -0.04 3.22 3.12 2nz5B1 ARG 381 HD3 0.03 -0.05 -0.08 -0.04 3.22 3.07 2nz5B1 LEU 382 H 0.00 0.16 0.19 -0.55 8.37 8.17 2nz5B1 LEU 382 HA 0.04 0.12 0.56 -0.75 4.35 4.31 2nz5B1 LEU 382 HB2 -0.00 -0.02 0.20 -0.04 1.64 1.78 2nz5B1 LEU 382 HB3 0.02 0.29 0.07 -0.04 1.64 1.98 2nz5B1 LEU 382 HG -0.00 -0.06 0.02 -0.04 1.64 1.56 2nz5B1 LEU 382 HD13 0.06 0.04 0.04 -0.04 0.93 1.03 2nz5B1 LEU 382 HD23 -0.02 0.02 0.02 -0.04 0.89 0.87 2nz5B1 ALA 383 H 0.04 0.88 0.38 -0.55 8.40 9.16 2nz5B1 ALA 383 HA 0.00 0.12 0.51 -0.75 4.34 4.22 2nz5B1 ALA 383 HB3 0.01 -0.05 -0.26 -0.04 1.41 1.06 2nz5B1 VAL 384 H 0.03 0.17 -0.14 -0.55 8.24 7.75 2nz5B1 VAL 384 HA 0.02 0.15 0.63 -0.75 4.13 4.17 2nz5B1 VAL 384 HB 0.03 0.01 0.07 -0.04 2.12 2.18 2nz5B1 VAL 384 HG13 0.02 -0.01 -0.25 -0.04 0.97 0.68 2nz5B1 VAL 384 HG23 0.05 0.04 -0.17 -0.04 0.95 0.82 2nz5B1 PRO 385 HA 0.03 0.09 0.46 -0.51 4.44 4.52 2nz5B1 PRO 385 HB2 0.05 -0.06 0.00 -0.04 2.28 2.22 2nz5B1 PRO 385 HB3 0.04 0.03 0.11 -0.04 2.02 2.16 2nz5B1 PRO 385 HG2 0.03 0.04 0.06 -0.04 2.03 2.12 2nz5B1 PRO 385 HG3 0.02 0.08 0.06 -0.04 2.03 2.16 2nz5B1 PRO 385 HD2 0.03 0.09 0.16 -0.04 3.68 3.92 2nz5B1 PRO 385 HD3 0.02 0.18 0.17 -0.04 3.65 3.99 2nz5B1 ALA 386 H 0.05 0.16 0.22 -0.55 8.40 8.28 2nz5B1 ALA 386 HA 0.15 0.12 0.43 -0.75 4.34 4.29 2nz5B1 ALA 386 HB3 0.10 0.02 0.15 -0.04 1.41 1.64 2nz5B1 GLU 387 H 0.10 0.03 -0.16 -0.55 8.60 8.02 2nz5B1 GLU 387 HA 0.14 0.13 0.37 -0.75 4.29 4.19 2nz5B1 GLU 387 HB2 0.07 -0.01 0.10 -0.04 2.09 2.22 2nz5B1 GLU 387 HB3 0.07 -0.06 0.01 -0.04 1.99 1.96 2nz5B1 GLU 387 HG2 0.06 0.05 -0.22 -0.04 2.34 2.20 2nz5B1 GLU 387 HG3 0.06 0.01 0.07 -0.04 2.34 2.44 2nz5B1 GLN 388 H 0.10 0.44 -0.72 -0.55 8.47 7.75 2nz5B1 GLN 388 HA 0.07 0.09 0.61 -0.75 4.36 4.38 2nz5B1 GLN 388 HB2 0.06 0.24 -0.01 -0.04 2.15 2.40 2nz5B1 GLN 388 HB3 0.05 -0.06 -0.01 -0.04 2.02 1.96 2nz5B1 GLN 388 HG2 0.04 -0.01 0.00 -0.04 2.40 2.40 2nz5B1 GLN 388 HG3 0.05 -0.07 -0.08 -0.04 2.39 2.25 2nz5B1 GLN 388 HE21 0.02 0.00 -0.00 -0.04 6.97 6.95 2nz5B1 GLN 388 HE22 0.03 -0.01 -0.00 -0.04 7.69 7.67 2nz5B1 VAL 389 H 0.17 0.64 -0.06 -0.55 8.24 8.44 2nz5B1 VAL 389 HA 0.05 -0.03 0.66 -0.75 4.13 4.06 2nz5B1 VAL 389 HB 0.32 0.15 0.22 -0.04 2.12 2.77 2nz5B1 VAL 389 HG13 -0.18 -0.00 -0.08 -0.04 0.97 0.67 2nz5B1 VAL 389 HG23 0.14 -0.03 0.03 -0.04 0.95 1.04 2nz5B1 ALA 390 H 0.01 0.05 0.19 -0.55 8.40 8.11 2nz5B1 ALA 390 HA 0.19 0.14 0.59 -0.75 4.34 4.51 2nz5B1 ALA 390 HB3 0.04 0.00 0.06 -0.04 1.41 1.48 2nz5B1 TRP 391 H 0.30 0.16 0.17 -0.55 7.97 8.05 2nz5B1 TRP 391 HA -0.06 0.11 1.12 -0.75 4.62 5.04 2nz5B1 TRP 391 HB2 -0.06 -0.05 0.09 -0.04 3.23 3.16 2nz5B1 TRP 391 HB3 -0.08 0.12 0.10 -0.04 3.23 3.33 2nz5B1 TRP 391 HD1 -0.05 0.04 -0.29 -0.04 7.22 6.88 2nz5B1 TRP 391 HE1 -0.25 0.09 -0.22 -0.04 10.20 9.78 2nz5B1 TRP 391 HE3 -0.11 -0.01 -0.12 -0.04 7.59 7.30 2nz5B1 TRP 391 HZ2 -1.86 -0.01 -0.10 -0.04 7.44 5.43 2nz5B1 TRP 391 HZ3 -0.08 0.04 -0.23 -0.04 7.13 6.82 2nz5B1 TRP 391 HH2 -0.26 -0.00 -0.14 -0.04 7.19 6.75 2nz5B1 ARG 392 H 0.03 0.60 0.25 -0.55 8.46 8.79 2nz5B1 ARG 392 HA -0.01 -0.00 0.44 -0.75 4.34 4.02 2nz5B1 ARG 392 HB2 -0.08 -0.01 0.00 -0.04 1.90 1.77 2nz5B1 ARG 392 HB3 -0.09 0.01 0.02 -0.04 1.80 1.70 2nz5B1 ARG 392 HG2 -0.11 -0.01 -0.18 -0.04 1.67 1.33 2nz5B1 ARG 392 HG3 -0.13 0.33 -0.08 -0.04 1.67 1.75 2nz5B1 ARG 392 HD2 -0.46 -0.03 -0.26 -0.04 3.22 2.43 2nz5B1 ARG 392 HD3 -0.46 0.19 -0.12 -0.04 3.22 2.79 2nz5B1 ARG 393 H -0.00 0.15 0.20 -0.55 8.46 8.26 2nz5B1 ARG 393 HA -0.00 0.22 0.89 -0.75 4.34 4.69 2nz5B1 ARG 393 HB2 0.01 -0.06 0.03 -0.04 1.90 1.84 2nz5B1 ARG 393 HB3 -0.00 -0.02 0.04 -0.04 1.80 1.78 2nz5B1 ARG 393 HG2 0.03 0.11 -0.18 -0.04 1.67 1.60 2nz5B1 ARG 393 HG3 0.04 0.11 -0.13 -0.04 1.67 1.66 2nz5B1 ARG 393 HD2 0.01 0.01 0.01 -0.04 3.22 3.20 2nz5B1 ARG 393 HD3 0.02 -0.01 -0.05 -0.04 3.22 3.14 2nz5B1 LYS 394 H -0.03 0.21 0.13 -0.55 8.42 8.18 2nz5B1 LYS 394 HA -0.03 0.02 0.31 -0.75 4.32 3.85 2nz5B1 LYS 394 HB2 -0.01 0.24 0.03 -0.04 1.87 2.08 2nz5B1 LYS 394 HB3 -0.02 -0.03 0.21 -0.04 1.79 1.91 2nz5B1 LYS 394 HG2 -0.01 0.01 0.01 -0.04 1.46 1.43 2nz5B1 LYS 394 HG3 -0.01 -0.06 -0.24 -0.04 1.46 1.11 2nz5B1 LYS 394 HD2 -0.00 0.01 -0.08 -0.04 1.69 1.57 2nz5B1 LYS 394 HD3 -0.00 -0.01 -0.00 -0.04 1.68 1.62 2nz5B1 LYS 394 HE2 -0.00 0.01 -0.02 -0.04 2.99 2.94 2nz5B1 LYS 394 HE3 -0.00 0.01 -0.06 -0.04 2.99 2.90 2nz5B1 THR 395 H -0.05 0.11 -0.39 -0.55 8.28 7.40 2nz5B1 THR 395 HA -0.04 0.18 0.91 -0.75 4.39 4.68 2nz5B1 THR 395 HB -0.06 0.14 -0.17 -0.04 4.32 4.19 2nz5B1 THR 395 HG23 -0.09 -0.03 -0.42 -0.04 1.22 0.64 2nz5B1 MET 396 H -0.04 0.16 0.10 -0.55 8.47 8.13 2nz5B1 MET 396 HA -0.09 0.00 0.44 -0.75 4.52 4.12 2nz5B1 MET 396 HB2 -0.02 0.01 0.09 -0.04 2.15 2.19 2nz5B1 MET 396 HB3 -0.02 0.02 0.14 -0.04 2.03 2.12 2nz5B1 MET 396 HG2 -0.03 0.04 -0.18 -0.04 2.63 2.43 2nz5B1 MET 396 HG3 -0.04 -0.07 -0.01 -0.04 2.56 2.39 2nz5B1 MET 396 HE3 0.04 0.01 -0.04 -0.04 2.10 2.07 2nz5B1 ILE 397 H -0.09 0.07 -0.04 -0.55 8.25 7.64 2nz5B1 ILE 397 HA -0.21 0.19 0.95 -0.75 4.18 4.36 2nz5B1 ILE 397 HB -0.07 -0.06 0.08 -0.04 1.89 1.80 2nz5B1 ILE 397 HG12 -0.24 0.08 -0.07 -0.04 1.49 1.22 2nz5B1 ILE 397 HG13 -0.04 -0.18 -0.10 -0.04 1.21 0.84 2nz5B1 ILE 397 HG23 -0.29 0.08 -0.11 -0.04 0.93 0.58 2nz5B1 ILE 397 HD13 0.13 -0.01 -0.04 -0.04 0.88 0.92 2nz5B1 ARG 398 H -0.17 0.43 0.13 -0.55 8.46 8.30 2nz5B1 ARG 398 HA -0.04 0.04 0.42 -0.75 4.34 4.00 2nz5B1 ARG 398 HB2 -0.02 0.20 -0.04 -0.04 1.90 1.99 2nz5B1 ARG 398 HB3 0.14 -0.02 -0.05 -0.04 1.80 1.83 2nz5B1 ARG 398 HG2 -0.04 -0.05 -0.10 -0.04 1.67 1.45 2nz5B1 ARG 398 HG3 -0.08 -0.01 -0.36 -0.04 1.67 1.18 2nz5B1 ARG 398 HD2 -0.02 0.04 0.02 -0.04 3.22 3.22 2nz5B1 ARG 398 HD3 -0.08 -0.10 0.02 -0.04 3.22 3.01 2nz5B1 GLY 399 H 0.22 0.20 0.19 -0.55 8.43 8.50 2nz5B1 GLY 399 HA2 0.01 0.05 0.28 -0.51 4.01 3.85 2nz5B1 GLY 399 HA3 -0.08 0.12 0.44 -0.51 4.01 3.98 2nz5B1 PRO 400 HA -1.41 0.14 0.70 -0.51 4.44 3.36 2nz5B1 PRO 400 HB2 -0.53 0.23 0.07 -0.04 2.28 2.01 2nz5B1 PRO 400 HB3 -1.38 -0.00 0.04 -0.04 2.02 0.64 2nz5B1 PRO 400 HG2 -0.26 -0.03 -0.00 -0.04 2.03 1.70 2nz5B1 PRO 400 HG3 -0.29 0.13 -0.07 -0.04 2.03 1.76 2nz5B1 PRO 400 HD2 -0.21 0.14 0.17 -0.04 3.68 3.74 2nz5B1 PRO 400 HD3 -0.64 0.11 -0.05 -0.04 3.65 3.03 2nz5B1 ARG 401 H -0.33 0.72 0.31 -0.55 8.46 8.60 2nz5B1 ARG 401 HA -0.09 0.13 0.44 -0.75 4.34 4.06 2nz5B1 ARG 401 HB2 -0.07 -0.08 -0.01 -0.04 1.90 1.70 2nz5B1 ARG 401 HB3 -0.04 0.03 0.04 -0.04 1.80 1.78 2nz5B1 ARG 401 HG2 -0.05 0.04 -0.21 -0.04 1.67 1.41 2nz5B1 ARG 401 HG3 -0.08 -0.04 -0.56 -0.04 1.67 0.95 2nz5B1 ARG 401 HD2 0.02 0.15 -0.29 -0.04 3.22 3.06 2nz5B1 ARG 401 HD3 0.00 -0.10 -0.18 -0.04 3.22 2.89 2nz5B1 THR 402 H -0.16 0.30 0.07 -0.55 8.28 7.94 2nz5B1 THR 402 HA -0.03 0.06 0.57 -0.75 4.39 4.23 2nz5B1 THR 402 HB -0.00 -0.13 0.10 -0.04 4.32 4.24 2nz5B1 THR 402 HG23 -0.01 0.02 -0.18 -0.04 1.22 1.00 2nz5B1 LEU 403 H 0.00 0.01 -0.04 -0.55 8.37 7.80 2nz5B1 LEU 403 HA 0.02 0.22 0.60 -0.75 4.35 4.44 2nz5B1 LEU 403 HB2 0.01 -0.28 0.05 -0.04 1.64 1.37 2nz5B1 LEU 403 HB3 0.03 0.07 0.09 -0.04 1.64 1.79 2nz5B1 LEU 403 HG -0.07 0.07 -0.28 -0.04 1.64 1.31 2nz5B1 LEU 403 HD13 0.02 0.03 -0.03 -0.04 0.93 0.92 2nz5B1 LEU 403 HD23 0.08 0.04 0.09 -0.04 0.89 1.06 2nz5B1 PRO 404 HA 0.06 0.09 0.51 -0.51 4.44 4.59 2nz5B1 PRO 404 HB2 0.04 -0.04 0.09 -0.04 2.28 2.32 2nz5B1 PRO 404 HB3 0.03 0.09 0.00 -0.04 2.02 2.10 2nz5B1 PRO 404 HG2 0.03 0.11 -0.02 -0.04 2.03 2.11 2nz5B1 PRO 404 HG3 0.03 -0.02 0.00 -0.04 2.03 2.00 2nz5B1 PRO 404 HD2 0.04 0.18 0.09 -0.04 3.68 3.96 2nz5B1 PRO 404 HD3 0.02 0.04 -0.16 -0.04 3.65 3.50 2nz5B1 CYS 405 H 0.13 0.58 0.46 -0.55 8.50 9.12 2nz5B1 CYS 405 HA 0.09 0.13 1.18 -0.75 4.58 5.22 2nz5B1 CYS 405 HB2 0.25 0.01 0.12 -0.04 2.97 3.31 2nz5B1 CYS 405 HB3 0.24 0.11 0.10 -0.04 2.97 3.38 2nz5B1 THR 406 H 0.13 0.56 0.37 -0.55 8.28 8.79 2nz5B1 THR 406 HA -0.37 0.58 0.96 -0.75 4.39 4.81 2nz5B1 THR 406 HB -0.09 -0.07 -0.12 -0.04 4.32 4.01 2nz5B1 THR 406 HG23 0.00 0.05 -0.18 -0.04 1.22 1.05 2nz5B1 TRP 407 H -0.55 0.28 0.22 -0.55 7.97 7.37 2nz5B1 TRP 407 HA -0.11 0.19 0.29 -0.75 4.62 4.23 2nz5B1 TRP 407 HB2 -0.11 0.21 -0.07 -0.04 3.23 3.21 2nz5B1 TRP 407 HB3 -0.07 0.04 -0.23 -0.04 3.23 2.92 2nz5B1 TRP 407 HD1 -0.05 0.29 -0.11 -0.04 7.22 7.30 2nz5B1 TRP 407 HE1 -0.06 0.01 -0.03 -0.04 10.20 10.07 2nz5B1 TRP 407 HE3 -0.02 -0.02 -0.50 -0.04 7.59 7.01 2nz5B1 TRP 407 HZ2 0.00 0.21 -0.41 -0.04 7.44 7.21 2nz5B1 TRP 407 HZ3 -0.01 -0.10 -0.17 -0.04 7.13 6.81 2nz5B1 TRP 407 HH2 0.00 -0.03 -0.38 -0.04 7.19 6.75 2nz5B1 HIS 408 H -0.09 0.40 0.15 -0.55 8.41 8.32 2nz5B1 HIS 408 HA 0.03 -0.07 0.39 -0.75 4.63 4.23 2nz5B1 HIS 408 HB2 0.09 0.05 0.05 -0.04 3.26 3.41 2nz5B1 HIS 408 HB3 0.04 0.00 0.05 -0.04 3.20 3.26 2nz5B1 HIS 408 HD2 0.04 -0.01 -0.09 -0.04 6.97 6.86 2nz5B1 HIS 408 HE1 0.03 0.00 0.00 -0.04 7.75 7.74 2nz5B1 HIS 409 H 0.12 0.02 0.08 -0.55 8.41 8.09 2nz5B1 HIS 409 HA -0.08 0.21 0.70 -0.75 4.63 4.70 2nz5B1 HIS 409 HB2 -0.16 0.14 0.00 -0.04 3.26 3.21 2nz5B1 HIS 409 HB3 -0.07 -0.04 0.17 -0.04 3.20 3.22 2nz5B1 HIS 409 HD2 -0.06 -0.00 0.14 -0.04 6.97 7.00 2nz5B1 HIS 409 HE1 0.15 -0.05 0.05 -0.04 7.75 7.86 2nz5B1 HIS 410 H 0.44 0.21 0.16 -0.55 8.41 8.68 2nz5B1 HIS 410 HA 0.14 0.21 1.35 -0.75 4.63 5.57 2nz5B1 HIS 410 HB2 0.13 0.04 0.11 -0.04 3.26 3.49 2nz5B1 HIS 410 HB3 -0.28 -0.04 -0.06 -0.04 3.20 2.77 2nz5B1 HIS 410 HD2 0.09 0.04 -0.04 -0.04 6.97 7.02 2nz5B1 HIS 410 HE1 0.10 -0.02 -0.03 -0.04 7.75 7.76 2nz5B1 HIS 411 H 0.33 0.14 0.09 -0.55 8.41 8.43 2nz5B1 HIS 411 HA 0.03 0.08 0.14 -0.75 4.63 4.12 2nz5B1 HIS 411 HB2 0.03 0.01 0.07 -0.04 3.26 3.34 2nz5B1 HIS 411 HB3 0.03 0.03 0.08 -0.04 3.20 3.29 2nz5B1 HIS 411 HD2 0.04 -0.01 0.02 -0.04 6.97 6.98 2nz5B1 HIS 411 HE1 0.35 0.10 0.07 -0.04 7.75 8.23