============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 70 rings ring int. center anis. iso. PHE 3 1.000 41.717 48.216 28.215 -99.200 -91.000 HIS 10 0.900 53.074 52.372 22.525 -99.200 -91.000 TYR 14 0.840 46.063 57.582 29.524 -99.200 -91.000 PHE 18 1.000 47.502 62.693 39.291 -99.200 -91.000 PHE 21 1.000 59.890 62.156 38.451 -99.200 -91.000 PHE 27 1.000 60.114 57.928 51.885 -99.200 -91.000 TYR 31 0.840 57.986 63.237 51.946 -99.200 -91.000 PHE 43 1.000 62.426 57.844 47.046 -99.200 -91.000 PHE 58 1.000 68.406 36.631 43.391 -99.200 -91.000 TRP 91 1.040 57.379 32.012 37.783 -99.200 -91.000 TRP6 91 1.020 55.775 33.077 36.412 -99.200 -91.000 TYR 94 0.840 54.905 31.657 31.316 -99.200 -91.000 TYR 95 0.840 61.154 35.780 34.060 -99.200 -91.000 TYR 106 0.840 50.163 30.914 33.065 -99.200 -91.000 PHE 113 1.000 61.391 38.427 49.513 -99.200 -91.000 HIS 115 0.900 56.571 33.107 54.517 -99.200 -91.000 PHE 130 1.000 63.278 55.142 61.713 -99.200 -91.000 TRP 133 1.040 49.867 51.166 61.426 -99.200 -91.000 TRP6 133 1.020 47.505 51.011 61.282 -99.200 -91.000 TRP 138 1.040 51.058 40.771 65.332 -99.200 -91.000 TRP6 138 1.020 48.741 40.965 64.891 -99.200 -91.000 HIS 141 0.900 54.521 37.466 72.252 -99.200 -91.000 TYR 147 0.840 54.413 37.875 60.719 -99.200 -91.000 TYR 153 0.840 53.391 40.899 48.979 -99.200 -91.000 TYR 162 0.840 46.182 46.414 32.173 -99.200 -91.000 PHE 165 1.000 43.505 52.109 35.661 -99.200 -91.000 HIS 166 0.900 45.987 46.836 41.602 -99.200 -91.000 PHE 169 1.000 47.245 43.141 50.846 -99.200 -91.000 TRP 175 1.040 60.120 48.882 48.748 -99.200 -91.000 TRP6 175 1.020 59.793 47.021 50.158 -99.200 -91.000 TYR 176 0.840 55.281 47.291 43.745 -99.200 -91.000 HIS 177 0.900 65.550 49.184 43.838 -99.200 -91.000 HIS 179 0.900 67.995 43.081 41.375 -99.200 -91.000 PHE 185 1.000 53.442 50.768 38.802 -99.200 -91.000 TRP 186 1.040 48.046 53.765 32.028 -99.200 -91.000 TRP6 186 1.020 48.925 51.671 31.343 -99.200 -91.000 HIS 193 0.900 34.068 62.217 39.973 -99.200 -91.000 TYR 198 0.840 38.717 50.917 42.746 -99.200 -91.000 TRP 201 1.040 35.959 49.686 36.279 -99.200 -91.000 TRP6 201 1.020 38.006 48.922 37.211 -99.200 -91.000 PHE 211 1.000 43.525 52.503 30.473 -99.200 -91.000 TYR 228 0.840 63.806 55.346 37.359 -99.200 -91.000 PHE 230 1.000 55.453 54.279 41.558 -99.200 -91.000 TRP 236 1.040 47.566 57.973 45.215 -99.200 -91.000 TRP6 236 1.020 47.814 59.514 43.437 -99.200 -91.000 HIS 238 0.900 48.066 50.775 42.074 -99.200 -91.000 TYR 241 0.840 52.697 46.759 28.800 -99.200 -91.000 PHE 249 1.000 63.730 40.634 44.803 -99.200 -91.000 PHE 253 1.000 54.583 51.455 53.535 -99.200 -91.000 HIS 255 0.900 51.147 55.843 56.301 -99.200 -91.000 PHE 257 1.000 52.882 59.520 60.494 -99.200 -91.000 TYR 266 0.840 39.301 45.753 56.077 -99.200 -91.000 PHE 278 1.000 42.129 36.588 46.190 -99.200 -91.000 TYR 280 0.840 47.424 44.125 56.150 -99.200 -91.000 PHE 282 1.000 46.092 37.459 61.771 -99.200 -91.000 TYR 283 0.840 42.459 47.138 57.763 -99.200 -91.000 TYR 284 0.840 37.848 46.036 61.156 -99.200 -91.000 TRP 288 1.040 40.416 46.048 68.446 -99.200 -91.000 TRP6 288 1.020 39.291 47.384 70.047 -99.200 -91.000 TYR 289 0.840 47.918 43.339 69.090 -99.200 -91.000 TYR 294 0.840 49.716 56.453 67.606 -99.200 -91.000 TYR 296 0.840 53.701 50.961 77.493 -99.200 -91.000 HIS 303 0.900 44.381 50.258 78.302 -99.200 -91.000 PHE 308 1.000 49.710 38.889 73.978 -99.200 -91.000 HIS 321 0.900 52.424 69.741 71.231 -99.200 -91.000 HIS 324 0.900 46.509 67.269 59.126 -99.200 -91.000 PHE 325 1.000 49.191 64.684 57.374 -99.200 -91.000 HIS 343 0.900 27.832 39.752 66.125 -99.200 -91.000 TRP 385 1.040 62.475 52.007 72.061 -99.200 -91.000 TRP6 385 1.020 63.595 52.707 70.090 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2yu1A1 ARG 36 HA -0.27 -0.07 0.26 -0.75 4.34 3.51 2yu1A1 ARG 36 HB2 -0.11 0.00 0.10 -0.04 1.90 1.86 2yu1A1 ARG 36 HB3 -0.08 -0.01 0.15 -0.04 1.80 1.81 2yu1A1 ARG 36 HG2 -0.15 -0.03 0.04 -0.04 1.67 1.49 2yu1A1 ARG 36 HG3 -0.18 -0.00 0.00 -0.04 1.67 1.44 2yu1A1 ARG 36 HD2 -0.49 0.16 -0.11 -0.04 3.22 2.74 2yu1A1 ARG 36 HD3 -0.74 -0.02 -0.04 -0.04 3.22 2.38 2yu1A1 THR 37 H -0.07 0.41 0.28 -0.55 8.28 8.35 2yu1A1 THR 37 HA -0.05 0.15 0.83 -0.75 4.39 4.57 2yu1A1 THR 37 HB 0.11 -0.07 0.25 -0.04 4.32 4.57 2yu1A1 THR 37 HG23 0.04 -0.03 -0.04 -0.04 1.22 1.15 2yu1A1 PHE 38 H -0.01 0.09 0.05 -0.55 8.34 7.92 2yu1A1 PHE 38 HA -0.02 0.08 0.46 -0.75 4.62 4.39 2yu1A1 PHE 38 HB2 -0.06 -0.04 -0.06 -0.04 3.15 2.95 2yu1A1 PHE 38 HB3 0.04 0.07 -0.12 -0.04 3.06 3.01 2yu1A1 PHE 38 HD2 -0.09 0.01 -0.66 -0.04 7.28 6.49 2yu1A1 PHE 38 HE2 -0.16 0.01 -0.14 -0.04 7.38 7.05 2yu1A1 PHE 38 HZ -0.19 0.03 -0.08 -0.04 7.32 7.04 2yu1A1 ASP 39 H 0.10 0.13 0.10 -0.55 8.40 8.18 2yu1A1 ASP 39 HA -0.09 0.20 0.63 -0.75 4.63 4.62 2yu1A1 ASP 39 HB2 -0.01 0.14 0.09 -0.04 2.71 2.90 2yu1A1 ASP 39 HB3 0.01 -0.04 0.19 -0.04 2.70 2.81 2yu1A1 LEU 40 H -0.17 0.35 0.13 -0.55 8.37 8.13 2yu1A1 LEU 40 HA -0.11 0.06 0.28 -0.75 4.35 3.83 2yu1A1 LEU 40 HB2 -0.21 0.10 0.11 -0.04 1.64 1.60 2yu1A1 LEU 40 HB3 -0.15 0.03 -0.09 -0.04 1.64 1.39 2yu1A1 LEU 40 HG -0.45 0.05 -0.06 -0.04 1.64 1.13 2yu1A1 LEU 40 HD13 -0.09 0.02 -0.12 -0.04 0.93 0.70 2yu1A1 LEU 40 HD23 -0.42 -0.02 -0.12 -0.04 0.89 0.29 2yu1A1 GLU 41 H -0.04 0.14 -0.13 -0.55 8.60 8.02 2yu1A1 GLU 41 HA 0.01 0.12 0.29 -0.75 4.29 3.95 2yu1A1 GLU 41 HB2 0.03 -0.05 0.01 -0.04 2.09 2.04 2yu1A1 GLU 41 HB3 0.13 0.05 -0.06 -0.04 1.99 2.07 2yu1A1 GLU 41 HG2 0.01 -0.03 0.03 -0.04 2.34 2.31 2yu1A1 GLU 41 HG3 0.03 0.05 -0.01 -0.04 2.34 2.37 2yu1A1 GLU 42 H 0.01 0.12 -0.42 -0.55 8.60 7.75 2yu1A1 GLU 42 HA 0.07 0.05 0.39 -0.75 4.29 4.05 2yu1A1 GLU 42 HB2 0.02 -0.03 0.08 -0.04 2.09 2.11 2yu1A1 GLU 42 HB3 -0.01 0.19 0.11 -0.04 1.99 2.23 2yu1A1 GLU 42 HG2 0.03 -0.04 -0.09 -0.04 2.34 2.19 2yu1A1 GLU 42 HG3 0.02 0.00 0.02 -0.04 2.34 2.34 2yu1A1 LYS 43 H -0.09 0.35 -0.16 -0.55 8.42 7.96 2yu1A1 LYS 43 HA 0.21 -0.01 0.34 -0.75 4.32 4.11 2yu1A1 LYS 43 HB2 -0.48 0.13 -0.01 -0.04 1.87 1.47 2yu1A1 LYS 43 HB3 -1.02 -0.07 0.02 -0.04 1.79 0.68 2yu1A1 LYS 43 HG2 -0.38 0.30 -0.01 -0.04 1.46 1.33 2yu1A1 LYS 43 HG3 -1.93 -0.09 -0.11 -0.04 1.46 -0.71 2yu1A1 LYS 43 HD2 -0.69 -0.04 -0.07 -0.04 1.69 0.85 2yu1A1 LYS 43 HD3 -0.17 -0.04 -0.13 -0.04 1.68 1.29 2yu1A1 LYS 43 HE2 -0.10 0.05 -0.05 -0.04 2.99 2.84 2yu1A1 LYS 43 HE3 -0.42 -0.08 -0.09 -0.04 2.99 2.37 2yu1A1 LEU 44 H 0.02 0.24 -0.66 -0.55 8.37 7.42 2yu1A1 LEU 44 HA 0.11 0.11 0.65 -0.75 4.35 4.47 2yu1A1 LEU 44 HB2 -0.29 0.05 0.06 -0.04 1.64 1.42 2yu1A1 LEU 44 HB3 -0.60 -0.04 -0.06 -0.04 1.64 0.90 2yu1A1 LEU 44 HG 0.04 0.01 -0.23 -0.04 1.64 1.42 2yu1A1 LEU 44 HD13 -0.78 -0.04 -0.22 -0.04 0.93 -0.15 2yu1A1 LEU 44 HD23 -0.38 -0.00 -0.10 -0.04 0.89 0.36 2yu1A1 HIS 45 H 0.06 0.24 -0.03 -0.55 8.41 8.12 2yu1A1 HIS 45 HA 0.04 0.22 1.00 -0.75 4.63 5.14 2yu1A1 HIS 45 HB2 0.02 -0.01 0.03 -0.04 3.26 3.26 2yu1A1 HIS 45 HB3 0.02 -0.06 0.03 -0.04 3.20 3.14 2yu1A1 HIS 45 HD2 0.01 0.01 -0.04 -0.04 6.97 6.91 2yu1A1 HIS 45 HE1 0.00 -0.05 -0.07 -0.04 7.75 7.60 2yu1A1 THR 46 H 0.12 0.58 0.19 -0.55 8.28 8.61 2yu1A1 THR 46 HA 0.04 0.01 0.45 -0.75 4.39 4.13 2yu1A1 THR 46 HB -0.06 -0.06 0.00 -0.04 4.32 4.16 2yu1A1 THR 46 HG23 0.02 0.04 0.06 -0.04 1.22 1.30 2yu1A1 ASN 47 H -0.01 0.13 0.06 -0.55 8.53 8.17 2yu1A1 ASN 47 HA 0.02 0.23 0.81 -0.75 4.76 5.07 2yu1A1 ASN 47 HB2 0.00 -0.04 0.19 -0.04 2.88 2.99 2yu1A1 ASN 47 HB3 0.01 -0.00 0.14 -0.04 2.79 2.90 2yu1A1 ASN 47 HD21 0.04 0.02 -0.00 -0.04 7.03 7.04 2yu1A1 ASN 47 HD22 0.02 -0.08 0.04 -0.04 7.74 7.68 2yu1A1 LYS 48 H -0.20 0.20 -0.32 -0.55 8.42 7.54 2yu1A1 LYS 48 HA -0.08 0.25 0.96 -0.75 4.32 4.70 2yu1A1 LYS 48 HB2 -0.18 0.04 0.07 -0.04 1.87 1.76 2yu1A1 LYS 48 HB3 -0.14 -0.01 -0.09 -0.04 1.79 1.51 2yu1A1 LYS 48 HG2 -0.38 -0.06 -0.15 -0.04 1.46 0.82 2yu1A1 LYS 48 HG3 -1.15 0.05 -0.20 -0.04 1.46 0.12 2yu1A1 LYS 48 HD2 -0.15 -0.01 -0.07 -0.04 1.69 1.42 2yu1A1 LYS 48 HD3 -0.26 -0.02 -0.10 -0.04 1.68 1.26 2yu1A1 LYS 48 HE2 -0.30 0.02 -0.16 -0.04 2.99 2.50 2yu1A1 LYS 48 HE3 -0.13 0.02 -0.06 -0.04 2.99 2.78 2yu1A1 TYR 49 H -0.08 0.13 -0.04 -0.55 8.29 7.76 2yu1A1 TYR 49 HA 0.14 0.18 0.76 -0.75 4.56 4.88 2yu1A1 TYR 49 HB2 0.19 0.00 0.22 -0.04 3.06 3.44 2yu1A1 TYR 49 HB3 0.29 -0.06 -0.14 -0.04 2.98 3.03 2yu1A1 TYR 49 HD2 0.29 0.11 -0.04 -0.04 7.15 7.47 2yu1A1 TYR 49 HE2 0.27 0.10 -0.13 -0.04 6.85 7.06 2yu1A1 ASN 50 H 0.06 0.40 -0.48 -0.55 8.53 7.95 2yu1A1 ASN 50 HA 0.06 0.17 0.65 -0.75 4.76 4.88 2yu1A1 ASN 50 HB2 0.01 -0.01 0.12 -0.04 2.88 2.95 2yu1A1 ASN 50 HB3 0.02 0.00 -0.10 -0.04 2.79 2.67 2yu1A1 ASN 50 HD21 -0.00 -0.01 0.01 -0.04 7.03 6.98 2yu1A1 ASN 50 HD22 -0.00 -0.01 0.01 -0.04 7.74 7.70 2yu1A1 ALA 51 H 0.05 0.39 -0.17 -0.55 8.40 8.11 2yu1A1 ALA 51 HA -0.20 0.02 0.33 -0.75 4.34 3.74 2yu1A1 ALA 51 HB3 -0.58 -0.05 -0.26 -0.04 1.41 0.48 2yu1A1 ASN 52 H -0.37 0.12 0.02 -0.55 8.53 7.76 2yu1A1 ASN 52 HA -0.05 0.20 0.88 -0.75 4.76 5.04 2yu1A1 ASN 52 HB2 -0.04 0.07 0.02 -0.04 2.88 2.89 2yu1A1 ASN 52 HB3 -0.05 -0.04 0.19 -0.04 2.79 2.85 2yu1A1 ASN 52 HD21 0.04 -0.01 -0.01 -0.04 7.03 7.02 2yu1A1 ASN 52 HD22 0.02 -0.03 0.03 -0.04 7.74 7.71 2yu1A1 PHE 53 H 0.04 0.14 -0.15 -0.55 8.34 7.82 2yu1A1 PHE 53 HA 0.16 0.19 0.74 -0.75 4.62 4.96 2yu1A1 PHE 53 HB2 0.13 -0.02 -0.02 -0.04 3.15 3.19 2yu1A1 PHE 53 HB3 0.21 0.03 -0.06 -0.04 3.06 3.20 2yu1A1 PHE 53 HD2 0.31 0.05 -0.12 -0.04 7.28 7.47 2yu1A1 PHE 53 HE2 0.17 0.01 -0.16 -0.04 7.38 7.36 2yu1A1 PHE 53 HZ 0.10 0.05 -0.13 -0.04 7.32 7.30 2yu1A1 VAL 54 H 0.14 -0.01 0.01 -0.55 8.24 7.83 2yu1A1 VAL 54 HA -0.11 0.28 0.55 -0.75 4.13 4.10 2yu1A1 VAL 54 HB -0.05 -0.04 0.00 -0.04 2.12 2.00 2yu1A1 VAL 54 HG13 -0.57 -0.00 -0.38 -0.04 0.97 -0.03 2yu1A1 VAL 54 HG23 -0.02 -0.01 -0.12 -0.04 0.95 0.76 2yu1A1 THR 55 H -0.17 0.62 0.29 -0.55 8.28 8.47 2yu1A1 THR 55 HA 0.07 0.13 0.80 -0.75 4.39 4.63 2yu1A1 THR 55 HB -0.08 -0.00 0.06 -0.04 4.32 4.25 2yu1A1 THR 55 HG23 -0.02 -0.02 -0.21 -0.04 1.22 0.93 2yu1A1 PHE 56 H 0.32 0.19 0.15 -0.55 8.34 8.44 2yu1A1 PHE 56 HA -0.24 0.20 0.88 -0.75 4.62 4.70 2yu1A1 PHE 56 HB2 -0.10 -0.02 0.16 -0.04 3.15 3.16 2yu1A1 PHE 56 HB3 -0.14 -0.01 0.06 -0.04 3.06 2.92 2yu1A1 PHE 56 HD2 -0.12 -0.01 -0.01 -0.04 7.28 7.11 2yu1A1 PHE 56 HE2 -0.06 0.04 -0.05 -0.04 7.38 7.28 2yu1A1 PHE 56 HZ -0.03 0.01 -0.04 -0.04 7.32 7.22 2yu1A1 MET 57 H -0.35 0.50 0.34 -0.55 8.47 8.41 2yu1A1 MET 57 HA -0.05 0.13 0.63 -0.75 4.52 4.48 2yu1A1 MET 57 HB2 -0.10 -0.11 0.09 -0.04 2.15 1.99 2yu1A1 MET 57 HB3 -0.15 0.12 -0.25 -0.04 2.03 1.71 2yu1A1 MET 57 HG2 -0.57 0.05 -0.22 -0.04 2.63 1.85 2yu1A1 MET 57 HG3 -0.51 -0.03 -0.37 -0.04 2.56 1.61 2yu1A1 MET 57 HE3 -0.23 0.01 -0.17 -0.04 2.10 1.66 2yu1A1 GLU 58 H 0.01 0.18 0.15 -0.55 8.60 8.39 2yu1A1 GLU 58 HA 0.12 0.14 0.87 -0.75 4.29 4.67 2yu1A1 GLU 58 HB2 0.04 -0.01 0.19 -0.04 2.09 2.26 2yu1A1 GLU 58 HB3 0.06 -0.01 0.09 -0.04 1.99 2.09 2yu1A1 GLU 58 HG2 0.04 0.03 0.04 -0.04 2.34 2.41 2yu1A1 GLU 58 HG3 0.02 -0.00 -0.01 -0.04 2.34 2.30 2yu1A1 GLY 59 H 0.23 0.25 0.15 -0.55 8.43 8.50 2yu1A1 GLY 59 HA2 -0.07 0.07 0.20 -0.51 4.01 3.69 2yu1A1 GLY 59 HA3 -0.06 0.01 0.06 -0.51 4.01 3.51 2yu1A1 LYS 60 H 0.06 0.08 -0.35 -0.55 8.42 7.66 2yu1A1 LYS 60 HA 0.02 0.17 0.37 -0.75 4.32 4.12 2yu1A1 LYS 60 HB2 0.02 0.04 0.05 -0.04 1.87 1.93 2yu1A1 LYS 60 HB3 0.02 -0.01 0.10 -0.04 1.79 1.87 2yu1A1 LYS 60 HG2 0.04 -0.12 -0.00 -0.04 1.46 1.33 2yu1A1 LYS 60 HG3 0.03 0.08 -0.20 -0.04 1.46 1.33 2yu1A1 LYS 60 HD2 0.02 0.03 -0.04 -0.04 1.69 1.66 2yu1A1 LYS 60 HD3 0.02 -0.01 -0.00 -0.04 1.68 1.65 2yu1A1 LYS 60 HE2 0.02 0.02 -0.01 -0.04 2.99 2.97 2yu1A1 LYS 60 HE3 0.02 -0.04 0.01 -0.04 2.99 2.93 2yu1A1 ASP 61 H 0.07 0.40 -0.17 -0.55 8.40 8.15 2yu1A1 ASP 61 HA 0.02 0.06 0.43 -0.75 4.63 4.38 2yu1A1 ASP 61 HB2 0.01 0.07 0.08 -0.04 2.71 2.83 2yu1A1 ASP 61 HB3 -0.03 -0.03 0.11 -0.04 2.70 2.72 2yu1A1 PHE 62 H 0.17 0.50 -0.66 -0.55 8.34 7.79 2yu1A1 PHE 62 HA -0.17 0.04 0.64 -0.75 4.62 4.38 2yu1A1 PHE 62 HB2 0.18 -0.06 -0.07 -0.04 3.15 3.15 2yu1A1 PHE 62 HB3 -0.11 0.15 0.18 -0.04 3.06 3.24 2yu1A1 PHE 62 HD2 -0.22 0.01 -0.04 -0.04 7.28 6.99 2yu1A1 PHE 62 HE2 0.09 -0.03 -0.11 -0.04 7.38 7.28 2yu1A1 PHE 62 HZ 0.05 0.01 -0.14 -0.04 7.32 7.20 2yu1A1 ASN 63 H -0.05 0.26 0.12 -0.55 8.53 8.30 2yu1A1 ASN 63 HA -0.26 0.25 0.88 -0.75 4.76 4.88 2yu1A1 ASN 63 HB2 -0.17 -0.07 0.19 -0.04 2.88 2.78 2yu1A1 ASN 63 HB3 -0.11 0.18 0.00 -0.04 2.79 2.83 2yu1A1 ASN 63 HD21 -0.01 0.01 0.00 -0.04 7.03 6.99 2yu1A1 ASN 63 HD22 -0.04 0.10 -0.01 -0.04 7.74 7.75 2yu1A1 VAL 64 H -0.33 0.33 0.18 -0.55 8.24 7.88 2yu1A1 VAL 64 HA -0.33 0.04 0.36 -0.75 4.13 3.45 2yu1A1 VAL 64 HB -0.28 0.34 -0.09 -0.04 2.12 2.05 2yu1A1 VAL 64 HG13 -0.18 -0.02 -0.17 -0.04 0.97 0.56 2yu1A1 VAL 64 HG23 -0.52 0.02 0.11 -0.04 0.95 0.52 2yu1A1 GLU 65 H -0.13 0.18 -0.22 -0.55 8.60 7.88 2yu1A1 GLU 65 HA -0.07 0.06 0.42 -0.75 4.29 3.95 2yu1A1 GLU 65 HB2 -0.05 0.06 0.08 -0.04 2.09 2.14 2yu1A1 GLU 65 HB3 -0.01 0.02 -0.02 -0.04 1.99 1.94 2yu1A1 GLU 65 HG2 0.01 -0.05 0.01 -0.04 2.34 2.26 2yu1A1 GLU 65 HG3 -0.01 0.10 0.01 -0.04 2.34 2.39 2yu1A1 TYR 66 H 0.01 0.24 -0.32 -0.55 8.29 7.67 2yu1A1 TYR 66 HA -0.03 0.10 0.47 -0.75 4.56 4.35 2yu1A1 TYR 66 HB2 -0.02 0.12 0.21 -0.04 3.06 3.33 2yu1A1 TYR 66 HB3 -0.15 0.31 0.24 -0.04 2.98 3.34 2yu1A1 TYR 66 HD2 0.04 0.02 -0.05 -0.04 7.15 7.12 2yu1A1 TYR 66 HE2 0.17 0.03 -0.08 -0.04 6.85 6.93 2yu1A1 ILE 67 H -0.23 0.31 -0.13 -0.55 8.25 7.65 2yu1A1 ILE 67 HA -0.49 -0.11 0.44 -0.75 4.18 3.26 2yu1A1 ILE 67 HB -0.56 0.12 0.10 -0.04 1.89 1.51 2yu1A1 ILE 67 HG12 -0.38 0.04 -0.10 -0.04 1.49 1.01 2yu1A1 ILE 67 HG13 -0.28 -0.06 -0.05 -0.04 1.21 0.78 2yu1A1 ILE 67 HG23 -1.15 -0.00 -0.19 -0.04 0.93 -0.46 2yu1A1 ILE 67 HD13 -0.37 -0.02 -0.15 -0.04 0.88 0.30 2yu1A1 GLN 68 H -0.28 0.56 -0.19 -0.55 8.47 8.02 2yu1A1 GLN 68 HA 0.10 -0.03 0.37 -0.75 4.36 4.05 2yu1A1 GLN 68 HB2 -0.01 0.06 0.10 -0.04 2.15 2.26 2yu1A1 GLN 68 HB3 0.13 0.01 -0.02 -0.04 2.02 2.10 2yu1A1 GLN 68 HG2 0.25 -0.06 -0.02 -0.04 2.40 2.53 2yu1A1 GLN 68 HG3 -0.18 0.18 0.03 -0.04 2.39 2.37 2yu1A1 GLN 68 HE21 0.06 0.03 -0.04 -0.04 6.97 6.97 2yu1A1 GLN 68 HE22 0.20 -0.03 -0.07 -0.04 7.69 7.75 2yu1A1 ARG 69 H -0.08 0.25 -0.51 -0.55 8.46 7.57 2yu1A1 ARG 69 HA 0.14 0.07 0.60 -0.75 4.34 4.39 2yu1A1 ARG 69 HB2 -0.01 0.19 0.28 -0.04 1.90 2.32 2yu1A1 ARG 69 HB3 0.01 -0.04 -0.00 -0.04 1.80 1.73 2yu1A1 ARG 69 HG2 0.06 -0.03 0.06 -0.04 1.67 1.71 2yu1A1 ARG 69 HG3 0.04 0.01 0.02 -0.04 1.67 1.71 2yu1A1 ARG 69 HD2 0.06 -0.02 -0.03 -0.04 3.22 3.19 2yu1A1 ARG 69 HD3 0.07 -0.02 -0.01 -0.04 3.22 3.22 2yu1A1 GLY 70 H -0.28 0.60 0.14 -0.55 8.43 8.34 2yu1A1 GLY 70 HA2 0.09 0.19 0.80 -0.51 4.01 4.59 2yu1A1 GLY 70 HA3 -0.23 -0.07 0.30 -0.51 4.01 3.51 2yu1A1 GLY 71 H -0.41 0.55 0.14 -0.55 8.43 8.16 2yu1A1 GLY 71 HA2 -0.62 0.04 0.33 -0.51 4.01 3.25 2yu1A1 GLY 71 HA3 -1.53 0.12 0.49 -0.51 4.01 2.58 2yu1A1 LEU 72 H -0.35 0.03 -0.08 -0.55 8.37 7.42 2yu1A1 LEU 72 HA -0.07 -0.01 0.22 -0.75 4.35 3.74 2yu1A1 LEU 72 HB2 -0.25 -0.10 -0.29 -0.04 1.64 0.96 2yu1A1 LEU 72 HB3 -0.04 0.06 0.15 -0.04 1.64 1.77 2yu1A1 LEU 72 HG 0.03 -0.05 -0.08 -0.04 1.64 1.50 2yu1A1 LEU 72 HD13 -0.01 -0.01 -0.10 -0.04 0.93 0.77 2yu1A1 LEU 72 HD23 0.13 0.00 -0.12 -0.04 0.89 0.86 2yu1A1 ARG 73 H -0.07 0.07 -0.33 -0.55 8.46 7.58 2yu1A1 ARG 73 HA 0.11 0.21 0.72 -0.75 4.34 4.62 2yu1A1 ARG 73 HB2 0.03 0.10 -0.01 -0.04 1.90 1.99 2yu1A1 ARG 73 HB3 0.14 -0.04 -0.03 -0.04 1.80 1.83 2yu1A1 ARG 73 HG2 0.12 -0.04 0.02 -0.04 1.67 1.73 2yu1A1 ARG 73 HG3 0.12 -0.04 0.06 -0.04 1.67 1.77 2yu1A1 ARG 73 HD2 0.02 0.06 -0.15 -0.04 3.22 3.11 2yu1A1 ARG 73 HD3 -0.13 0.10 -0.13 -0.04 3.22 3.02 2yu1A1 ASP 74 H 0.02 -0.02 -0.17 -0.55 8.40 7.69 2yu1A1 ASP 74 HA -0.01 0.30 1.02 -0.75 4.63 5.19 2yu1A1 ASP 74 HB2 0.06 -0.12 -0.03 -0.04 2.71 2.57 2yu1A1 ASP 74 HB3 -0.01 0.17 -0.01 -0.04 2.70 2.81 2yu1A1 PRO 75 HA -0.52 0.32 0.77 -0.51 4.44 4.49 2yu1A1 PRO 75 HB2 -0.46 -0.01 -0.03 -0.04 2.28 1.73 2yu1A1 PRO 75 HB3 -0.95 -0.00 0.11 -0.04 2.02 1.14 2yu1A1 PRO 75 HG2 -0.36 -0.07 -0.13 -0.04 2.03 1.43 2yu1A1 PRO 75 HG3 -1.09 -0.02 -0.08 -0.04 2.03 0.80 2yu1A1 PRO 75 HD2 -0.36 0.20 0.17 -0.04 3.68 3.66 2yu1A1 PRO 75 HD3 -1.43 0.16 0.06 -0.04 3.65 2.39 2yu1A1 LEU 76 H -0.38 0.44 0.37 -0.55 8.37 8.25 2yu1A1 LEU 76 HA -0.36 0.32 1.14 -0.75 4.35 4.69 2yu1A1 LEU 76 HB2 -0.42 -0.09 -0.02 -0.04 1.64 1.07 2yu1A1 LEU 76 HB3 -0.72 0.01 0.00 -0.04 1.64 0.90 2yu1A1 LEU 76 HG -0.16 0.12 -0.05 -0.04 1.64 1.51 2yu1A1 LEU 76 HD13 -0.19 -0.03 -0.12 -0.04 0.93 0.55 2yu1A1 LEU 76 HD23 -0.08 -0.00 -0.39 -0.04 0.89 0.38 2yu1A1 ILE 77 H -0.59 0.50 0.28 -0.55 8.25 7.88 2yu1A1 ILE 77 HA -0.10 0.31 1.01 -0.75 4.18 4.64 2yu1A1 ILE 77 HB -0.92 -0.03 0.02 -0.04 1.89 0.92 2yu1A1 ILE 77 HG12 -0.06 0.05 -0.06 -0.04 1.49 1.38 2yu1A1 ILE 77 HG13 -0.17 -0.03 -0.42 -0.04 1.21 0.56 2yu1A1 ILE 77 HG23 -0.35 -0.02 -0.22 -0.04 0.93 0.30 2yu1A1 ILE 77 HD13 -0.38 -0.00 -0.13 -0.04 0.88 0.33 2yu1A1 PHE 78 H 0.10 0.68 0.28 -0.55 8.34 8.85 2yu1A1 PHE 78 HA -0.11 0.25 1.06 -0.75 4.62 5.07 2yu1A1 PHE 78 HB2 -0.01 -0.03 0.21 -0.04 3.15 3.28 2yu1A1 PHE 78 HB3 -0.04 0.09 0.17 -0.04 3.06 3.24 2yu1A1 PHE 78 HD2 -0.09 0.04 -0.17 -0.04 7.28 7.01 2yu1A1 PHE 78 HE2 -0.35 0.01 -0.31 -0.04 7.38 6.69 2yu1A1 PHE 78 HZ -1.30 0.00 -0.16 -0.04 7.32 5.82 2yu1A1 LYS 79 H -0.11 0.18 0.14 -0.55 8.42 8.09 2yu1A1 LYS 79 HA -0.66 0.07 0.47 -0.75 4.32 3.45 2yu1A1 LYS 79 HB2 -0.06 -0.05 0.13 -0.04 1.87 1.85 2yu1A1 LYS 79 HB3 -0.09 0.04 0.05 -0.04 1.79 1.75 2yu1A1 LYS 79 HG2 -0.71 0.00 -0.03 -0.04 1.46 0.68 2yu1A1 LYS 79 HG3 -0.10 0.01 0.05 -0.04 1.46 1.38 2yu1A1 LYS 79 HD2 -0.02 -0.01 0.02 -0.04 1.69 1.63 2yu1A1 LYS 79 HD3 -0.03 0.02 0.01 -0.04 1.68 1.64 2yu1A1 LYS 79 HE2 0.16 0.02 -0.01 -0.04 2.99 3.12 2yu1A1 LYS 79 HE3 0.08 -0.01 0.00 -0.04 2.99 3.02 2yu1A1 ASN 80 H 0.07 0.02 0.03 -0.55 8.53 8.11 2yu1A1 ASN 80 HA 0.12 0.28 0.86 -0.75 4.76 5.27 2yu1A1 ASN 80 HB2 0.08 -0.02 0.16 -0.04 2.88 3.06 2yu1A1 ASN 80 HB3 0.08 -0.20 0.09 -0.04 2.79 2.72 2yu1A1 ASN 80 HD21 0.05 0.06 0.00 -0.04 7.03 7.10 2yu1A1 ASN 80 HD22 0.05 -0.04 0.05 -0.04 7.74 7.76 2yu1A1 SER 81 H 0.14 0.24 0.17 -0.55 8.46 8.45 2yu1A1 SER 81 HA 0.09 0.16 0.58 -0.75 4.49 4.57 2yu1A1 SER 81 HB2 0.06 -0.05 0.15 -0.04 3.95 4.07 2yu1A1 SER 81 HB3 0.31 0.20 0.08 -0.04 3.93 4.48 2yu1A1 ASP 82 H 0.07 0.02 -0.52 -0.55 8.40 7.41 2yu1A1 ASP 82 HA 0.02 0.10 0.53 -0.75 4.63 4.53 2yu1A1 ASP 82 HB2 0.05 -0.03 0.15 -0.04 2.71 2.83 2yu1A1 ASP 82 HB3 0.03 0.07 0.02 -0.04 2.70 2.77 2yu1A1 GLY 83 H -0.01 0.22 0.26 -0.55 8.43 8.35 2yu1A1 GLY 83 HA2 -0.00 0.08 0.30 -0.51 4.01 3.87 2yu1A1 GLY 83 HA3 0.00 0.09 0.77 -0.51 4.01 4.37 2yu1A1 LEU 84 H -0.06 0.25 -0.21 -0.55 8.37 7.80 2yu1A1 LEU 84 HA -0.12 0.19 0.42 -0.75 4.35 4.09 2yu1A1 LEU 84 HB2 -0.11 0.10 0.12 -0.04 1.64 1.71 2yu1A1 LEU 84 HB3 -0.21 -0.01 -0.01 -0.04 1.64 1.37 2yu1A1 LEU 84 HG -0.24 -0.08 -0.14 -0.04 1.64 1.14 2yu1A1 LEU 84 HD13 -0.24 0.01 0.02 -0.04 0.93 0.68 2yu1A1 LEU 84 HD23 -1.02 0.03 -0.02 -0.04 0.89 -0.16 2yu1A1 GLY 85 H -0.05 0.03 0.00 -0.55 8.43 7.86 2yu1A1 GLY 85 HA2 -0.05 0.04 0.27 -0.51 4.01 3.77 2yu1A1 GLY 85 HA3 -0.06 0.07 0.60 -0.51 4.01 4.11 2yu1A1 ILE 86 H -0.08 -0.03 0.03 -0.55 8.25 7.62 2yu1A1 ILE 86 HA -0.12 0.37 0.57 -0.75 4.18 4.25 2yu1A1 ILE 86 HB -0.09 0.16 0.04 -0.04 1.89 1.96 2yu1A1 ILE 86 HG12 -0.07 -0.13 0.08 -0.04 1.49 1.34 2yu1A1 ILE 86 HG13 -0.10 0.01 -0.25 -0.04 1.21 0.82 2yu1A1 ILE 86 HG23 -0.15 -0.06 -0.23 -0.04 0.93 0.44 2yu1A1 ILE 86 HD13 -0.14 -0.01 -0.05 -0.04 0.88 0.64 2yu1A1 LYS 87 H -0.07 0.49 0.26 -0.55 8.42 8.54 2yu1A1 LYS 87 HA -0.06 0.08 0.75 -0.75 4.32 4.34 2yu1A1 LYS 87 HB2 -0.04 0.01 0.00 -0.04 1.87 1.80 2yu1A1 LYS 87 HB3 -0.05 -0.00 -0.22 -0.04 1.79 1.47 2yu1A1 LYS 87 HG2 -0.06 -0.10 -0.12 -0.04 1.46 1.14 2yu1A1 LYS 87 HG3 -0.08 0.18 -0.39 -0.04 1.46 1.13 2yu1A1 LYS 87 HD2 -0.04 -0.01 -0.18 -0.04 1.69 1.42 2yu1A1 LYS 87 HD3 -0.04 -0.04 -0.19 -0.04 1.68 1.37 2yu1A1 LYS 87 HE2 -0.05 -0.02 -0.81 -0.04 2.99 2.08 2yu1A1 LYS 87 HE3 -0.03 0.10 -0.26 -0.04 2.99 2.76 2yu1A1 MET 88 H -0.07 0.18 0.13 -0.55 8.47 8.17 2yu1A1 MET 88 HA -0.23 0.21 0.95 -0.75 4.52 4.70 2yu1A1 MET 88 HB2 -0.06 -0.05 0.03 -0.04 2.15 2.04 2yu1A1 MET 88 HB3 -0.30 0.08 0.02 -0.04 2.03 1.79 2yu1A1 MET 88 HG2 -0.24 -0.12 -0.42 -0.04 2.63 1.81 2yu1A1 MET 88 HG3 -0.46 -0.01 -0.10 -0.04 2.56 1.95 2yu1A1 MET 88 HE3 0.16 0.00 -0.07 -0.04 2.10 2.15 2yu1A1 PRO 89 HA -0.04 0.03 0.42 -0.51 4.44 4.34 2yu1A1 PRO 89 HB2 -0.03 0.02 -0.00 -0.04 2.28 2.23 2yu1A1 PRO 89 HB3 -0.36 0.03 0.07 -0.04 2.02 1.72 2yu1A1 PRO 89 HG2 -0.50 0.02 -0.06 -0.04 2.03 1.46 2yu1A1 PRO 89 HG3 -1.02 -0.00 -0.03 -0.04 2.03 0.93 2yu1A1 PRO 89 HD2 -0.55 0.03 0.18 -0.04 3.68 3.30 2yu1A1 PRO 89 HD3 -0.56 0.25 0.06 -0.04 3.65 3.35 2yu1A1 ASP 90 H 0.14 0.07 0.16 -0.55 8.40 8.21 2yu1A1 ASP 90 HA 0.14 0.10 0.46 -0.75 4.63 4.57 2yu1A1 ASP 90 HB2 0.19 -0.06 0.11 -0.04 2.71 2.91 2yu1A1 ASP 90 HB3 0.12 -0.01 0.09 -0.04 2.70 2.86 2yu1A1 PRO 91 HA 0.16 0.17 0.41 -0.51 4.44 4.67 2yu1A1 PRO 91 HB2 -0.09 0.03 0.13 -0.04 2.28 2.30 2yu1A1 PRO 91 HB3 0.05 0.08 0.17 -0.04 2.02 2.28 2yu1A1 PRO 91 HG2 0.05 -0.01 0.06 -0.04 2.03 2.09 2yu1A1 PRO 91 HG3 0.09 0.03 0.11 -0.04 2.03 2.22 2yu1A1 PRO 91 HD2 0.11 -0.00 0.18 -0.04 3.68 3.92 2yu1A1 PRO 91 HD3 0.15 0.14 0.24 -0.04 3.65 4.14 2yu1A1 ASP 92 H 0.12 0.03 -0.47 -0.55 8.40 7.53 2yu1A1 ASP 92 HA 0.04 0.15 0.47 -0.75 4.63 4.54 2yu1A1 ASP 92 HB2 0.04 -0.03 0.11 -0.04 2.71 2.79 2yu1A1 ASP 92 HB3 0.04 -0.00 0.05 -0.04 2.70 2.74 2yu1A1 PHE 93 H 0.36 0.33 -0.72 -0.55 8.34 7.76 2yu1A1 PHE 93 HA 0.10 -0.09 0.31 -0.75 4.62 4.18 2yu1A1 PHE 93 HB2 0.28 0.29 -0.04 -0.04 3.15 3.63 2yu1A1 PHE 93 HB3 0.36 -0.00 -0.15 -0.04 3.06 3.22 2yu1A1 PHE 93 HD2 0.14 -0.02 -0.20 -0.04 7.28 7.16 2yu1A1 PHE 93 HE2 0.07 -0.03 -0.20 -0.04 7.38 7.18 2yu1A1 PHE 93 HZ 0.02 0.04 -0.09 -0.04 7.32 7.25 2yu1A1 THR 94 H -0.29 0.04 0.19 -0.55 8.28 7.66 2yu1A1 THR 94 HA 0.13 0.33 0.88 -0.75 4.39 4.98 2yu1A1 THR 94 HB -0.02 -0.22 0.03 -0.04 4.32 4.06 2yu1A1 THR 94 HG23 0.09 -0.01 0.07 -0.04 1.22 1.33 2yu1A1 VAL 95 H 0.03 0.28 0.09 -0.55 8.24 8.09 2yu1A1 VAL 95 HA 0.01 0.12 0.30 -0.75 4.13 3.81 2yu1A1 VAL 95 HB -0.04 0.01 0.09 -0.04 2.12 2.13 2yu1A1 VAL 95 HG13 0.01 0.01 -0.21 -0.04 0.97 0.74 2yu1A1 VAL 95 HG23 -0.93 0.04 0.00 -0.04 0.95 0.02 2yu1A1 ASN 96 H 0.01 0.15 -0.28 -0.55 8.53 7.86 2yu1A1 ASN 96 HA 0.02 0.06 0.40 -0.75 4.76 4.49 2yu1A1 ASN 96 HB2 0.00 0.06 0.06 -0.04 2.88 2.96 2yu1A1 ASN 96 HB3 -0.04 -0.01 0.03 -0.04 2.79 2.73 2yu1A1 ASN 96 HD21 -0.03 0.03 -0.09 -0.04 7.03 6.90 2yu1A1 ASN 96 HD22 -0.05 0.01 -0.11 -0.04 7.74 7.54 2yu1A1 ASP 97 H -0.17 0.15 -0.17 -0.55 8.40 7.67 2yu1A1 ASP 97 HA -0.24 0.03 0.36 -0.75 4.63 4.03 2yu1A1 ASP 97 HB2 -1.22 0.17 0.12 -0.04 2.71 1.74 2yu1A1 ASP 97 HB3 -1.49 0.04 0.11 -0.04 2.70 1.31 2yu1A1 VAL 98 H 0.03 0.30 -0.92 -0.55 8.24 7.10 2yu1A1 VAL 98 HA 0.26 0.06 0.65 -0.75 4.13 4.35 2yu1A1 VAL 98 HB 0.13 0.27 0.15 -0.04 2.12 2.63 2yu1A1 VAL 98 HG13 0.08 -0.02 -0.14 -0.04 0.97 0.85 2yu1A1 VAL 98 HG23 0.38 0.02 -0.18 -0.04 0.95 1.12 2yu1A1 LYS 99 H 0.06 0.37 0.15 -0.55 8.42 8.45 2yu1A1 LYS 99 HA 0.09 0.02 0.35 -0.75 4.32 4.02 2yu1A1 LYS 99 HB2 0.09 -0.15 0.02 -0.04 1.87 1.79 2yu1A1 LYS 99 HB3 0.09 0.01 0.11 -0.04 1.79 1.97 2yu1A1 LYS 99 HG2 0.04 -0.07 0.02 -0.04 1.46 1.40 2yu1A1 LYS 99 HG3 0.03 0.30 0.00 -0.04 1.46 1.75 2yu1A1 LYS 99 HD2 0.04 0.01 -0.42 -0.04 1.69 1.28 2yu1A1 LYS 99 HD3 0.05 -0.14 -0.07 -0.04 1.68 1.48 2yu1A1 LYS 99 HE2 0.02 0.05 -0.10 -0.04 2.99 2.91 2yu1A1 LYS 99 HE3 0.03 -0.02 -0.05 -0.04 2.99 2.90 2yu1A1 MET 100 H 0.04 0.16 -0.80 -0.55 8.47 7.32 2yu1A1 MET 100 HA 0.04 0.08 0.66 -0.75 4.52 4.54 2yu1A1 MET 100 HB2 0.02 0.02 -0.03 -0.04 2.15 2.12 2yu1A1 MET 100 HB3 0.01 -0.00 -0.02 -0.04 2.03 1.97 2yu1A1 MET 100 HG2 -0.03 -0.01 0.05 -0.04 2.63 2.59 2yu1A1 MET 100 HG3 0.05 -1.00 0.18 -0.04 2.56 1.75 2yu1A1 MET 100 HE3 0.05 0.02 -0.09 -0.04 2.10 2.05 2yu1A1 CYS 101 H 0.08 0.27 0.02 -0.55 8.50 8.33 2yu1A1 CYS 101 HA 0.08 0.02 0.32 -0.75 4.58 4.24 2yu1A1 CYS 101 HB2 0.12 0.04 0.12 -0.04 2.97 3.21 2yu1A1 CYS 101 HB3 0.11 -0.19 0.05 -0.04 2.97 2.89 2yu1A1 VAL 102 H 0.08 0.30 -0.33 -0.55 8.24 7.74 2yu1A1 VAL 102 HA 0.08 -0.02 0.56 -0.75 4.13 4.00 2yu1A1 VAL 102 HB 0.03 0.04 -0.01 -0.04 2.12 2.14 2yu1A1 VAL 102 HG13 0.07 -0.03 -0.02 -0.04 0.97 0.95 2yu1A1 VAL 102 HG23 0.05 0.16 -0.06 -0.04 0.95 1.06 2yu1A1 GLY 103 H 0.05 0.04 -0.37 -0.55 8.43 7.60 2yu1A1 GLY 103 HA2 0.04 -0.03 0.41 -0.51 4.01 3.92 2yu1A1 GLY 103 HA3 0.04 0.20 0.93 -0.51 4.01 4.67 2yu1A1 SER 104 H 0.04 0.11 0.21 -0.55 8.46 8.27 2yu1A1 SER 104 HA 0.06 -0.09 0.48 -0.75 4.49 4.18 2yu1A1 SER 104 HB2 0.04 -0.18 0.17 -0.04 3.95 3.94 2yu1A1 SER 104 HB3 0.04 0.10 0.15 -0.04 3.93 4.18 2yu1A1 ARG 105 H 0.05 -0.13 0.19 -0.55 8.46 8.02 2yu1A1 ARG 105 HA 0.03 -0.09 0.35 -0.75 4.34 3.88 2yu1A1 ARG 105 HB2 0.03 -0.06 -0.00 -0.04 1.90 1.82 2yu1A1 ARG 105 HB3 0.02 0.22 -0.21 -0.04 1.80 1.80 2yu1A1 ARG 105 HG2 0.02 0.07 0.22 -0.04 1.67 1.94 2yu1A1 ARG 105 HG3 0.02 -0.05 0.14 -0.04 1.67 1.73 2yu1A1 ARG 105 HD2 0.02 -0.04 0.02 -0.04 3.22 3.18 2yu1A1 ARG 105 HD3 0.02 0.04 0.01 -0.04 3.22 3.24 2yu1A1 ARG 106 H 0.03 -0.15 -0.68 -0.55 8.46 7.11 2yu1A1 ARG 106 HA 0.01 0.16 0.83 -0.75 4.34 4.58 2yu1A1 ARG 106 HB2 0.02 0.11 0.01 -0.04 1.90 2.00 2yu1A1 ARG 106 HB3 0.02 0.00 0.20 -0.04 1.80 1.98 2yu1A1 ARG 106 HG2 -0.03 0.05 -0.10 -0.04 1.67 1.55 2yu1A1 ARG 106 HG3 -0.01 -0.01 0.03 -0.04 1.67 1.63 2yu1A1 ARG 106 HD2 0.01 0.30 -0.11 -0.04 3.22 3.38 2yu1A1 ARG 106 HD3 -0.00 -0.16 -0.09 -0.04 3.22 2.92 2yu1A1 MET 107 H -0.00 0.23 -0.05 -0.55 8.47 8.10 2yu1A1 MET 107 HA -0.02 -0.01 0.31 -0.75 4.52 4.05 2yu1A1 MET 107 HB2 -0.03 -0.03 0.06 -0.04 2.15 2.11 2yu1A1 MET 107 HB3 -0.04 0.16 -0.02 -0.04 2.03 2.10 2yu1A1 MET 107 HG2 -0.01 -0.02 0.09 -0.04 2.63 2.66 2yu1A1 MET 107 HG3 -0.01 -0.00 0.04 -0.04 2.56 2.54 2yu1A1 MET 107 HE3 -0.01 -0.02 0.05 -0.04 2.10 2.08 2yu1A1 VAL 108 H -0.06 0.92 0.50 -0.55 8.24 9.05 2yu1A1 VAL 108 HA -0.11 0.15 0.92 -0.75 4.13 4.33 2yu1A1 VAL 108 HB -0.16 -0.08 -0.14 -0.04 2.12 1.69 2yu1A1 VAL 108 HG13 -0.32 -0.01 -0.22 -0.04 0.97 0.38 2yu1A1 VAL 108 HG23 -0.09 0.04 -0.10 -0.04 0.95 0.76 2yu1A1 ASP 109 H -0.14 0.13 0.08 -0.55 8.40 7.92 2yu1A1 ASP 109 HA -0.12 0.07 0.60 -0.75 4.63 4.42 2yu1A1 ASP 109 HB2 -0.12 -0.08 0.17 -0.04 2.71 2.64 2yu1A1 ASP 109 HB3 -0.10 0.01 0.02 -0.04 2.70 2.59 2yu1A1 VAL 110 H -0.18 0.19 0.23 -0.55 8.24 7.93 2yu1A1 VAL 110 HA -0.32 0.19 1.01 -0.75 4.13 4.25 2yu1A1 VAL 110 HB -0.32 0.13 0.11 -0.04 2.12 2.00 2yu1A1 VAL 110 HG13 -0.34 -0.03 -0.27 -0.04 0.97 0.28 2yu1A1 VAL 110 HG23 -0.34 0.05 -0.29 -0.04 0.95 0.33 2yu1A1 MET 111 H -0.15 0.57 0.28 -0.55 8.47 8.61 2yu1A1 MET 111 HA -0.11 0.27 0.92 -0.75 4.52 4.85 2yu1A1 MET 111 HB2 -0.06 0.04 -0.02 -0.04 2.15 2.07 2yu1A1 MET 111 HB3 -0.04 0.03 0.01 -0.04 2.03 1.99 2yu1A1 MET 111 HG2 -0.00 0.01 -0.24 -0.04 2.63 2.36 2yu1A1 MET 111 HG3 -0.03 -0.66 0.13 -0.04 2.56 1.96 2yu1A1 MET 111 HE3 0.03 0.03 -0.37 -0.04 2.10 1.75 2yu1A1 ASP 112 H -0.01 0.09 -0.10 -0.55 8.40 7.83 2yu1A1 ASP 112 HA 0.38 0.24 0.54 -0.75 4.63 5.04 2yu1A1 ASP 112 HB2 0.23 0.07 0.03 -0.04 2.71 2.99 2yu1A1 ASP 112 HB3 0.07 -0.09 0.15 -0.04 2.70 2.79 2yu1A1 VAL 113 H 0.18 0.47 0.23 -0.55 8.24 8.57 2yu1A1 VAL 113 HA 0.09 0.02 0.10 -0.75 4.13 3.58 2yu1A1 VAL 113 HB 0.14 0.07 0.20 -0.04 2.12 2.49 2yu1A1 VAL 113 HG13 0.13 0.00 -0.08 -0.04 0.97 0.98 2yu1A1 VAL 113 HG23 0.14 0.02 -0.06 -0.04 0.95 1.00 2yu1A1 ASN 114 H 0.10 0.03 -1.11 -0.55 8.53 7.00 2yu1A1 ASN 114 HA 0.06 0.23 0.89 -0.75 4.76 5.18 2yu1A1 ASN 114 HB2 0.06 -0.10 0.02 -0.04 2.88 2.82 2yu1A1 ASN 114 HB3 0.03 0.03 0.17 -0.04 2.79 2.98 2yu1A1 ASN 114 HD21 0.04 0.06 -0.05 -0.04 7.03 7.03 2yu1A1 ASN 114 HD22 0.04 -0.14 -0.01 -0.04 7.74 7.58 2yu1A1 THR 115 H 0.06 0.47 0.01 -0.55 8.28 8.28 2yu1A1 THR 115 HA 0.02 0.10 0.39 -0.75 4.39 4.15 2yu1A1 THR 115 HB 0.02 0.27 0.27 -0.04 4.32 4.84 2yu1A1 THR 115 HG23 0.03 -0.15 0.01 -0.04 1.22 1.07 2yu1A1 GLN 116 H 0.02 0.11 0.20 -0.55 8.47 8.25 2yu1A1 GLN 116 HA -0.00 -0.09 0.27 -0.75 4.36 3.78 2yu1A1 GLN 116 HB2 -0.05 -0.10 0.14 -0.04 2.15 2.11 2yu1A1 GLN 116 HB3 -0.03 0.38 0.61 -0.04 2.02 2.94 2yu1A1 GLN 116 HG2 -0.02 -0.12 -0.58 -0.04 2.40 1.64 2yu1A1 GLN 116 HG3 -0.03 -0.08 -0.18 -0.04 2.39 2.06 2yu1A1 GLN 116 HE21 -0.06 0.03 -0.01 -0.04 6.97 6.88 2yu1A1 GLN 116 HE22 -0.03 -0.02 -0.08 -0.04 7.69 7.51 2yu1A1 LYS 117 H -0.03 0.16 0.11 -0.55 8.42 8.10 2yu1A1 LYS 117 HA -0.03 0.04 0.41 -0.75 4.32 4.00 2yu1A1 LYS 117 HB2 -0.01 0.26 0.03 -0.04 1.87 2.11 2yu1A1 LYS 117 HB3 -0.01 -0.05 0.10 -0.04 1.79 1.78 2yu1A1 LYS 117 HG2 0.05 -0.00 0.01 -0.04 1.46 1.48 2yu1A1 LYS 117 HG3 -0.01 0.02 -0.12 -0.04 1.46 1.30 2yu1A1 LYS 117 HD2 -0.00 0.04 -0.03 -0.04 1.69 1.66 2yu1A1 LYS 117 HD3 0.02 -0.03 -0.01 -0.04 1.68 1.62 2yu1A1 LYS 117 HE2 0.15 -0.02 -0.01 -0.04 2.99 3.07 2yu1A1 LYS 117 HE3 -0.01 0.04 -0.02 -0.04 2.99 2.96 2yu1A1 GLY 118 H -0.04 0.26 0.25 -0.55 8.43 8.36 2yu1A1 GLY 118 HA2 -0.06 -0.00 0.41 -0.51 4.01 3.84 2yu1A1 GLY 118 HA3 -0.14 0.01 0.41 -0.51 4.01 3.78 2yu1A1 ILE 119 H -0.07 0.06 -0.22 -0.55 8.25 7.47 2yu1A1 ILE 119 HA -0.14 -0.30 0.70 -0.75 4.18 3.69 2yu1A1 ILE 119 HB -0.09 0.06 0.11 -0.04 1.89 1.93 2yu1A1 ILE 119 HG12 -0.04 -0.00 -0.03 -0.04 1.49 1.37 2yu1A1 ILE 119 HG13 -0.05 -0.10 -0.06 -0.04 1.21 0.96 2yu1A1 ILE 119 HG23 -0.08 -0.02 0.06 -0.04 0.93 0.85 2yu1A1 ILE 119 HD13 -0.05 0.02 -0.15 -0.04 0.88 0.66 2yu1A1 GLU 120 H -0.08 0.10 -1.02 -0.55 8.60 7.05 2yu1A1 GLU 120 HA -0.03 0.02 0.21 -0.75 4.29 3.74 2yu1A1 GLU 120 HB2 -0.03 -0.02 0.11 -0.04 2.09 2.11 2yu1A1 GLU 120 HB3 -0.01 -0.00 0.02 -0.04 1.99 1.96 2yu1A1 GLU 120 HG2 -0.02 0.02 0.02 -0.04 2.34 2.32 2yu1A1 GLU 120 HG3 -0.04 -0.08 0.00 -0.04 2.34 2.18 2yu1A1 MET 121 H -0.05 0.09 -0.09 -0.55 8.47 7.88 2yu1A1 MET 121 HA 0.02 0.06 0.31 -0.75 4.52 4.15 2yu1A1 MET 121 HB2 0.12 -0.01 0.09 -0.04 2.15 2.30 2yu1A1 MET 121 HB3 0.07 -0.02 0.06 -0.04 2.03 2.10 2yu1A1 MET 121 HG2 -0.07 0.07 0.06 -0.04 2.63 2.65 2yu1A1 MET 121 HG3 0.05 0.02 -0.15 -0.04 2.56 2.44 2yu1A1 MET 121 HE3 0.40 0.01 -0.32 -0.04 2.10 2.15 2yu1A1 THR 122 H 0.06 0.00 0.16 -0.55 8.28 7.96 2yu1A1 THR 122 HA 0.01 0.29 0.45 -0.75 4.39 4.39 2yu1A1 THR 122 HB 0.03 -0.00 -0.35 -0.04 4.32 3.96 2yu1A1 THR 122 HG23 0.02 0.08 -0.06 -0.04 1.22 1.22 2yu1A1 MET 123 H 0.06 0.34 0.00 -0.55 8.47 8.32 2yu1A1 MET 123 HA 0.24 0.10 0.33 -0.75 4.52 4.44 2yu1A1 MET 123 HB2 0.08 -0.06 0.15 -0.04 2.15 2.27 2yu1A1 MET 123 HB3 0.13 -0.02 0.01 -0.04 2.03 2.11 2yu1A1 MET 123 HG2 0.03 0.19 0.02 -0.04 2.63 2.84 2yu1A1 MET 123 HG3 0.06 0.11 -0.08 -0.04 2.56 2.61 2yu1A1 MET 123 HE3 0.16 0.02 -0.24 -0.04 2.10 1.99 2yu1A1 ALA 124 H 0.08 -0.10 -0.10 -0.55 8.40 7.73 2yu1A1 ALA 124 HA 0.07 0.13 0.38 -0.75 4.34 4.17 2yu1A1 ALA 124 HB3 0.05 0.00 0.11 -0.04 1.41 1.53 2yu1A1 GLN 125 H 0.10 0.03 -0.14 -0.55 8.47 7.92 2yu1A1 GLN 125 HA 0.09 0.10 0.37 -0.75 4.36 4.16 2yu1A1 GLN 125 HB2 0.14 0.02 0.07 -0.04 2.15 2.34 2yu1A1 GLN 125 HB3 0.12 0.06 0.02 -0.04 2.02 2.18 2yu1A1 GLN 125 HG2 0.06 0.07 0.02 -0.04 2.40 2.51 2yu1A1 GLN 125 HG3 0.06 0.05 0.02 -0.04 2.39 2.49 2yu1A1 GLN 125 HE21 0.04 0.07 0.05 -0.04 6.97 7.10 2yu1A1 GLN 125 HE22 0.04 0.15 0.02 -0.04 7.69 7.87 2yu1A1 TRP 126 H 0.31 0.38 -0.29 -0.55 7.97 7.83 2yu1A1 TRP 126 HA 0.16 0.05 0.37 -0.75 4.62 4.45 2yu1A1 TRP 126 HB2 0.03 0.04 -0.08 -0.04 3.23 3.17 2yu1A1 TRP 126 HB3 0.04 -0.01 0.09 -0.04 3.23 3.31 2yu1A1 TRP 126 HD1 0.01 -0.01 -0.14 -0.04 7.22 7.03 2yu1A1 TRP 126 HE1 -0.13 -0.00 -0.10 -0.04 10.20 9.93 2yu1A1 TRP 126 HE3 0.06 0.00 -0.12 -0.04 7.59 7.49 2yu1A1 TRP 126 HZ2 0.10 0.08 -0.15 -0.04 7.44 7.43 2yu1A1 TRP 126 HZ3 0.15 -0.06 -0.24 -0.04 7.13 6.94 2yu1A1 TRP 126 HH2 0.29 0.13 -0.33 -0.04 7.19 7.24 2yu1A1 THR 127 H 0.19 0.90 0.08 -0.55 8.28 8.91 2yu1A1 THR 127 HA -0.13 -0.04 0.30 -0.75 4.39 3.76 2yu1A1 THR 127 HB 0.04 0.09 0.06 -0.04 4.32 4.46 2yu1A1 THR 127 HG23 0.02 -0.03 -0.10 -0.04 1.22 1.07 2yu1A1 ARG 128 H 0.02 0.36 -0.40 -0.55 8.46 7.89 2yu1A1 ARG 128 HA -0.04 0.00 0.34 -0.75 4.34 3.89 2yu1A1 ARG 128 HB2 0.04 0.15 0.08 -0.04 1.90 2.12 2yu1A1 ARG 128 HB3 0.01 -0.02 -0.01 -0.04 1.80 1.74 2yu1A1 ARG 128 HG2 0.02 0.05 0.04 -0.04 1.67 1.74 2yu1A1 ARG 128 HG3 0.02 -0.04 0.00 -0.04 1.67 1.61 2yu1A1 ARG 128 HD2 -0.00 0.00 -0.01 -0.04 3.22 3.17 2yu1A1 ARG 128 HD3 -0.02 0.02 0.01 -0.04 3.22 3.19 2yu1A1 TYR 129 H -0.03 0.33 -0.32 -0.55 8.29 7.72 2yu1A1 TYR 129 HA -0.14 0.03 0.47 -0.75 4.56 4.17 2yu1A1 TYR 129 HB2 -0.04 -0.03 0.09 -0.04 3.06 3.04 2yu1A1 TYR 129 HB3 -0.49 0.10 0.19 -0.04 2.98 2.74 2yu1A1 TYR 129 HD2 -0.60 -0.01 -0.07 -0.04 7.15 6.42 2yu1A1 TYR 129 HE2 -0.05 0.01 -0.02 -0.04 6.85 6.74 2yu1A1 TYR 130 H -0.52 0.50 -0.01 -0.55 8.29 7.71 2yu1A1 TYR 130 HA -0.60 -0.00 0.30 -0.75 4.56 3.51 2yu1A1 TYR 130 HB2 -0.68 -0.03 0.04 -0.04 3.06 2.36 2yu1A1 TYR 130 HB3 -0.28 0.04 0.05 -0.04 2.98 2.75 2yu1A1 TYR 130 HD2 -0.15 -0.02 -0.09 -0.04 7.15 6.84 2yu1A1 TYR 130 HE2 0.02 0.04 -0.17 -0.04 6.85 6.70 2yu1A1 GLU 131 H -0.17 0.34 -0.44 -0.55 8.60 7.78 2yu1A1 GLU 131 HA -0.26 0.11 0.57 -0.75 4.29 3.95 2yu1A1 GLU 131 HB2 -0.09 0.07 0.05 -0.04 2.09 2.07 2yu1A1 GLU 131 HB3 -0.09 -0.06 0.15 -0.04 1.99 1.95 2yu1A1 GLU 131 HG2 -0.02 -0.05 -0.05 -0.04 2.34 2.17 2yu1A1 GLU 131 HG3 -0.01 -0.01 -0.05 -0.04 2.34 2.24 2yu1A1 THR 132 H -0.37 0.58 -0.44 -0.55 8.28 7.51 2yu1A1 THR 132 HA -0.15 0.07 0.68 -0.75 4.39 4.23 2yu1A1 THR 132 HB -0.37 0.11 0.18 -0.04 4.32 4.19 2yu1A1 THR 132 HG23 -0.12 0.00 -0.25 -0.04 1.22 0.81 2yu1A1 PRO 133 HA -0.14 0.01 0.37 -0.51 4.44 4.16 2yu1A1 PRO 133 HB2 -0.08 -0.10 0.05 -0.04 2.28 2.10 2yu1A1 PRO 133 HB3 -0.09 0.06 0.15 -0.04 2.02 2.11 2yu1A1 PRO 133 HG2 -0.08 -0.07 0.07 -0.04 2.03 1.91 2yu1A1 PRO 133 HG3 -0.07 0.06 0.10 -0.04 2.03 2.08 2yu1A1 PRO 133 HD2 -0.10 0.09 0.26 -0.04 3.68 3.89 2yu1A1 PRO 133 HD3 -0.10 0.18 0.24 -0.04 3.65 3.93 2yu1A1 GLU 134 H -0.12 0.08 0.20 -0.55 8.60 8.21 2yu1A1 GLU 134 HA -0.14 0.16 0.44 -0.75 4.29 4.00 2yu1A1 GLU 134 HB2 -0.10 -0.04 0.21 -0.04 2.09 2.13 2yu1A1 GLU 134 HB3 -0.07 -0.08 0.13 -0.04 1.99 1.94 2yu1A1 GLU 134 HG2 -0.07 0.05 0.08 -0.04 2.34 2.35 2yu1A1 GLU 134 HG3 -0.05 -0.03 0.03 -0.04 2.34 2.25 2yu1A1 GLU 135 H -0.06 -0.02 -0.14 -0.55 8.60 7.84 2yu1A1 GLU 135 HA -0.04 0.15 0.39 -0.75 4.29 4.04 2yu1A1 GLU 135 HB2 -0.04 -0.06 0.08 -0.04 2.09 2.04 2yu1A1 GLU 135 HB3 -0.04 -0.04 -0.00 -0.04 1.99 1.87 2yu1A1 GLU 135 HG2 -0.03 0.05 -0.07 -0.04 2.34 2.25 2yu1A1 GLU 135 HG3 -0.03 0.03 0.04 -0.04 2.34 2.34 2yu1A1 GLU 136 H -0.07 0.01 -0.25 -0.55 8.60 7.74 2yu1A1 GLU 136 HA -0.04 0.01 0.38 -0.75 4.29 3.89 2yu1A1 GLU 136 HB2 -0.08 0.09 -0.01 -0.04 2.09 2.05 2yu1A1 GLU 136 HB3 -0.05 -0.04 -0.02 -0.04 1.99 1.84 2yu1A1 GLU 136 HG2 -0.05 -0.09 -0.00 -0.04 2.34 2.16 2yu1A1 GLU 136 HG3 -0.05 -0.02 0.03 -0.04 2.34 2.26 2yu1A1 ARG 137 H -0.10 0.44 -0.43 -0.55 8.46 7.81 2yu1A1 ARG 137 HA -0.09 -0.17 0.34 -0.75 4.34 3.67 2yu1A1 ARG 137 HB2 -0.18 0.10 0.07 -0.04 1.90 1.85 2yu1A1 ARG 137 HB3 -0.08 0.10 0.13 -0.04 1.80 1.91 2yu1A1 ARG 137 HG2 -0.09 0.03 0.01 -0.04 1.67 1.58 2yu1A1 ARG 137 HG3 -0.11 -0.17 0.04 -0.04 1.67 1.39 2yu1A1 ARG 137 HD2 -1.30 -0.13 -0.01 -0.04 3.22 1.74 2yu1A1 ARG 137 HD3 -0.57 0.14 0.06 -0.04 3.22 2.81 2yu1A1 GLU 138 H 0.03 -0.04 0.23 -0.55 8.60 8.27 2yu1A1 GLU 138 HA -0.02 0.17 0.58 -0.75 4.29 4.27 2yu1A1 LYS 139 H -0.07 -0.01 0.08 -0.55 8.42 7.86 2yu1A1 LYS 139 HA -0.15 0.22 0.74 -0.75 4.32 4.37 2yu1A1 LYS 139 HB2 -1.28 -0.03 -0.05 -0.04 1.87 0.47 2yu1A1 LYS 139 HB3 -0.91 -0.06 -0.03 -0.04 1.79 0.75 2yu1A1 LYS 139 HG2 -0.18 -0.04 -0.09 -0.04 1.46 1.11 2yu1A1 LYS 139 HG3 -0.26 -0.02 -0.03 -0.04 1.46 1.10 2yu1A1 LYS 139 HD2 -0.01 -0.04 -0.02 -0.04 1.69 1.58 2yu1A1 LYS 139 HD3 -0.07 0.11 -0.06 -0.04 1.68 1.62 2yu1A1 LYS 139 HE2 -0.00 0.01 -0.05 -0.04 2.99 2.91 2yu1A1 LYS 139 HE3 0.07 -0.04 -0.02 -0.04 2.99 2.96 2yu1A1 LEU 140 H -0.12 0.14 -0.00 -0.55 8.37 7.84 2yu1A1 LEU 140 HA 0.14 0.23 0.75 -0.75 4.35 4.73 2yu1A1 LEU 140 HB2 0.04 0.05 -0.04 -0.04 1.64 1.65 2yu1A1 LEU 140 HB3 0.10 -0.13 0.08 -0.04 1.64 1.65 2yu1A1 LEU 140 HG 0.07 0.11 -0.08 -0.04 1.64 1.70 2yu1A1 LEU 140 HD13 0.09 0.02 -0.13 -0.04 0.93 0.86 2yu1A1 LEU 140 HD23 0.14 -0.03 -0.25 -0.04 0.89 0.71 2yu1A1 TYR 141 H 0.35 0.25 -0.06 -0.55 8.29 8.29 2yu1A1 TYR 141 HA 0.10 0.29 0.97 -0.75 4.56 5.16 2yu1A1 TYR 141 HB2 -0.27 0.02 -0.06 -0.04 3.06 2.70 2yu1A1 TYR 141 HB3 0.43 0.00 -0.13 -0.04 2.98 3.23 2yu1A1 TYR 141 HD2 -0.30 0.08 -0.24 -0.04 7.15 6.66 2yu1A1 TYR 141 HE2 -0.08 -0.02 -0.09 -0.04 6.85 6.62 2yu1A1 ASN 142 H 0.16 0.43 0.25 -0.55 8.53 8.82 2yu1A1 ASN 142 HA 0.28 0.16 0.86 -0.75 4.76 5.30 2yu1A1 ASN 142 HB2 0.13 0.02 -0.22 -0.04 2.88 2.77 2yu1A1 ASN 142 HB3 0.03 -0.02 0.03 -0.04 2.79 2.79 2yu1A1 ASN 142 HD21 -0.03 0.01 -0.22 -0.04 7.03 6.75 2yu1A1 ASN 142 HD22 -0.01 0.02 -0.21 -0.04 7.74 7.50 2yu1A1 VAL 143 H -0.10 0.62 0.23 -0.55 8.24 8.44 2yu1A1 VAL 143 HA -0.35 0.24 1.10 -0.75 4.13 4.36 2yu1A1 VAL 143 HB -0.59 0.05 0.31 -0.04 2.12 1.85 2yu1A1 VAL 143 HG13 -0.41 0.02 -0.00 -0.04 0.97 0.54 2yu1A1 VAL 143 HG23 -1.92 0.01 -0.17 -0.04 0.95 -1.17 2yu1A1 ILE 144 H -0.14 0.26 0.03 -0.55 8.25 7.85 2yu1A1 ILE 144 HA -0.08 0.16 0.92 -0.75 4.18 4.43 2yu1A1 ILE 144 HB -0.08 0.04 0.07 -0.04 1.89 1.88 2yu1A1 ILE 144 HG12 -0.10 -0.04 -0.08 -0.04 1.49 1.22 2yu1A1 ILE 144 HG13 -0.11 0.06 -0.21 -0.04 1.21 0.91 2yu1A1 ILE 144 HG23 -0.08 -0.01 -0.26 -0.04 0.93 0.53 2yu1A1 ILE 144 HD13 -0.12 0.01 -0.10 -0.04 0.88 0.63 2yu1A1 SER 145 H -0.09 0.02 -0.06 -0.55 8.46 7.78 2yu1A1 SER 145 HA 0.12 0.28 0.90 -0.75 4.49 5.04 2yu1A1 SER 145 HB2 -0.08 -0.01 0.03 -0.04 3.95 3.85 2yu1A1 SER 145 HB3 -0.02 0.02 0.05 -0.04 3.93 3.93 2yu1A1 LEU 146 H -0.02 0.07 0.01 -0.55 8.37 7.87 2yu1A1 LEU 146 HA -0.04 0.06 0.42 -0.75 4.35 4.03 2yu1A1 LEU 146 HB2 -0.10 -0.04 0.12 -0.04 1.64 1.57 2yu1A1 LEU 146 HB3 -0.00 0.24 0.24 -0.04 1.64 2.08 2yu1A1 LEU 146 HG 0.10 -0.07 -0.33 -0.04 1.64 1.30 2yu1A1 LEU 146 HD13 -0.04 0.02 -0.06 -0.04 0.93 0.80 2yu1A1 LEU 146 HD23 -0.00 -0.01 -0.05 -0.04 0.89 0.78 2yu1A1 GLU 147 H -0.12 0.23 0.33 -0.55 8.60 8.50 2yu1A1 GLU 147 HA -0.32 0.31 0.89 -0.75 4.29 4.41 2yu1A1 GLU 147 HB2 -0.44 0.11 0.17 -0.04 2.09 1.88 2yu1A1 GLU 147 HB3 -0.26 -0.00 0.27 -0.04 1.99 1.96 2yu1A1 GLU 147 HG2 -0.86 0.29 -0.04 -0.04 2.34 1.68 2yu1A1 GLU 147 HG3 -0.45 0.02 -0.01 -0.04 2.34 1.85 2yu1A1 PHE 148 H 0.05 0.26 0.07 -0.55 8.34 8.17 2yu1A1 PHE 148 HA -0.12 0.24 0.86 -0.75 4.62 4.85 2yu1A1 PHE 148 HB2 0.02 -0.09 0.03 -0.04 3.15 3.07 2yu1A1 PHE 148 HB3 0.01 0.04 -0.10 -0.04 3.06 2.97 2yu1A1 PHE 148 HD2 0.03 -0.01 -0.30 -0.04 7.28 6.95 2yu1A1 PHE 148 HE2 0.05 0.16 -0.42 -0.04 7.38 7.13 2yu1A1 PHE 148 HZ -0.04 0.03 -0.12 -0.04 7.32 7.16 2yu1A1 SER 149 H -0.32 0.14 -0.05 -0.55 8.46 7.68 2yu1A1 SER 149 HA -0.15 0.04 0.31 -0.75 4.49 3.93 2yu1A1 SER 149 HB2 0.01 0.12 0.02 -0.04 3.95 4.05 2yu1A1 SER 149 HB3 -0.14 -0.05 0.13 -0.04 3.93 3.83 2yu1A1 HIS 150 H 0.41 -0.06 -0.96 -0.55 8.41 7.26 2yu1A1 HIS 150 HA 0.02 0.08 0.54 -0.75 4.63 4.52 2yu1A1 HIS 150 HB2 0.04 -0.04 0.14 -0.04 3.26 3.36 2yu1A1 HIS 150 HB3 0.02 0.01 0.05 -0.04 3.20 3.24 2yu1A1 HIS 150 HD2 -0.00 -0.00 0.03 -0.04 6.97 6.95 2yu1A1 HIS 150 HE1 -0.11 -0.01 -0.00 -0.04 7.75 7.59 2yu1A1 THR 151 H 0.19 0.23 0.15 -0.55 8.28 8.31 2yu1A1 THR 151 HA 0.11 0.14 0.50 -0.75 4.39 4.38 2yu1A1 THR 151 HB 0.11 0.22 0.10 -0.04 4.32 4.71 2yu1A1 THR 151 HG23 0.09 -0.06 0.26 -0.04 1.22 1.47 2yu1A1 ARG 152 H 0.09 0.31 0.20 -0.55 8.46 8.51 2yu1A1 ARG 152 HA 0.07 0.11 0.39 -0.75 4.34 4.15 2yu1A1 LEU 153 H 0.13 0.08 -0.37 -0.55 8.37 7.66 2yu1A1 LEU 153 HA 0.02 0.03 0.22 -0.75 4.35 3.87 2yu1A1 LEU 153 HB2 0.07 -0.06 -0.06 -0.04 1.64 1.55 2yu1A1 LEU 153 HB3 0.22 0.06 -0.22 -0.04 1.64 1.66 2yu1A1 LEU 153 HG -0.05 -0.02 -0.02 -0.04 1.64 1.52 2yu1A1 LEU 153 HD13 -0.57 -0.01 -0.09 -0.04 0.93 0.22 2yu1A1 LEU 153 HD23 -0.67 0.01 -0.06 -0.04 0.89 0.12 2yu1A1 GLU 154 H 0.22 0.48 -0.70 -0.55 8.60 8.06 2yu1A1 GLU 154 HA 0.20 -0.04 0.28 -0.75 4.29 3.99 2yu1A1 GLU 154 HB2 0.05 0.03 0.01 -0.04 2.09 2.13 2yu1A1 GLU 154 HB3 0.06 0.02 0.09 -0.04 1.99 2.12 2yu1A1 GLU 154 HG2 -0.00 0.00 -0.22 -0.04 2.34 2.08 2yu1A1 GLU 154 HG3 -0.05 -0.10 -0.00 -0.04 2.34 2.14 2yu1A1 ASN 155 H 0.04 0.22 -0.03 -0.55 8.53 8.21 2yu1A1 ASN 155 HA -0.00 0.09 0.35 -0.75 4.76 4.45 2yu1A1 ASN 155 HB2 0.02 0.04 0.08 -0.04 2.88 2.97 2yu1A1 ASN 155 HB3 -0.00 -0.03 0.16 -0.04 2.79 2.88 2yu1A1 ASN 155 HD21 -0.00 0.02 0.02 -0.04 7.03 7.02 2yu1A1 ASN 155 HD22 0.02 0.01 0.05 -0.04 7.74 7.78 2yu1A1 MET 156 H 0.02 0.33 -1.36 -0.55 8.47 6.91 2yu1A1 MET 156 HA -0.04 0.06 0.69 -0.75 4.52 4.47 2yu1A1 MET 156 HB2 -0.02 -0.03 -0.13 -0.04 2.15 1.93 2yu1A1 MET 156 HB3 -0.17 0.16 0.02 -0.04 2.03 1.99 2yu1A1 MET 156 HG2 -0.19 -0.07 -0.02 -0.04 2.63 2.31 2yu1A1 MET 156 HG3 -0.04 -0.01 0.03 -0.04 2.56 2.51 2yu1A1 MET 156 HE3 0.23 -0.03 -0.03 -0.04 2.10 2.23 2yu1A1 VAL 157 H -0.00 0.62 0.24 -0.55 8.24 8.55 2yu1A1 VAL 157 HA -0.15 0.25 0.94 -0.75 4.13 4.42 2yu1A1 VAL 157 HB 0.20 0.03 0.12 -0.04 2.12 2.43 2yu1A1 VAL 157 HG13 0.21 -0.03 -0.20 -0.04 0.97 0.92 2yu1A1 VAL 157 HG23 -0.87 -0.03 -0.09 -0.04 0.95 -0.08 2yu1A1 GLN 158 H -0.03 0.58 0.30 -0.55 8.47 8.78 2yu1A1 GLN 158 HA -0.03 0.15 0.92 -0.75 4.36 4.64 2yu1A1 GLN 158 HB2 -0.05 0.05 -0.20 -0.04 2.15 1.91 2yu1A1 GLN 158 HB3 -0.07 -0.17 0.07 -0.04 2.02 1.81 2yu1A1 GLN 158 HG2 -0.08 -0.03 -0.06 -0.04 2.40 2.18 2yu1A1 GLN 158 HG3 -0.13 0.29 -0.15 -0.04 2.39 2.35 2yu1A1 GLN 158 HE21 -0.10 -0.03 -0.01 -0.04 6.97 6.79 2yu1A1 GLN 158 HE22 -0.13 0.06 -0.02 -0.04 7.69 7.55 2yu1A1 ARG 159 H -0.19 0.13 0.05 -0.55 8.46 7.90 2yu1A1 ARG 159 HA -0.63 0.10 0.45 -0.75 4.34 3.50 2yu1A1 ARG 159 HB2 -1.72 0.01 -0.01 -0.04 1.90 0.14 2yu1A1 ARG 159 HB3 -1.52 0.00 -0.04 -0.04 1.80 0.20 2yu1A1 ARG 159 HG2 -0.29 -0.01 -0.02 -0.04 1.67 1.31 2yu1A1 ARG 159 HG3 -0.43 0.03 -0.32 -0.04 1.67 0.92 2yu1A1 ARG 159 HD2 -0.47 -0.02 -0.17 -0.04 3.22 2.51 2yu1A1 ARG 159 HD3 -0.14 0.02 -0.13 -0.04 3.22 2.93 2yu1A1 PRO 160 HA -0.21 0.21 0.20 -0.51 4.44 4.13 2yu1A1 PRO 160 HB2 -0.11 -0.08 0.05 -0.04 2.28 2.10 2yu1A1 PRO 160 HB3 -0.24 0.00 0.05 -0.04 2.02 1.79 2yu1A1 PRO 160 HG2 -0.44 -0.08 0.07 -0.04 2.03 1.54 2yu1A1 PRO 160 HG3 -0.37 0.06 0.01 -0.04 2.03 1.69 2yu1A1 PRO 160 HD2 -1.78 0.08 0.12 -0.04 3.68 2.06 2yu1A1 PRO 160 HD3 -0.69 0.15 0.08 -0.04 3.65 3.15 2yu1A1 SER 161 H -0.11 0.41 0.31 -0.55 8.46 8.52 2yu1A1 SER 161 HA -0.14 0.07 0.35 -0.75 4.49 4.02 2yu1A1 SER 161 HB2 0.12 -0.02 0.01 -0.04 3.95 4.01 2yu1A1 SER 161 HB3 -0.05 0.05 0.16 -0.04 3.93 4.05 2yu1A1 THR 162 H -0.06 0.20 -0.30 -0.55 8.28 7.57 2yu1A1 THR 162 HA 0.08 0.05 0.46 -0.75 4.39 4.23 2yu1A1 THR 162 HB -0.29 -0.02 0.03 -0.04 4.32 4.00 2yu1A1 THR 162 HG23 -0.81 -0.04 -0.30 -0.04 1.22 0.03 2yu1A1 VAL 163 H -0.19 0.38 -0.17 -0.55 8.24 7.72 2yu1A1 VAL 163 HA -0.41 -0.02 0.31 -0.75 4.13 3.26 2yu1A1 VAL 163 HB -0.47 0.19 -0.07 -0.04 2.12 1.73 2yu1A1 VAL 163 HG13 -0.97 -0.02 -0.09 -0.04 0.97 -0.14 2yu1A1 VAL 163 HG23 -0.27 -0.02 -0.04 -0.04 0.95 0.58 2yu1A1 ASP 164 H -0.17 0.28 -0.59 -0.55 8.40 7.38 2yu1A1 ASP 164 HA -0.14 0.03 0.50 -0.75 4.63 4.26 2yu1A1 ASP 164 HB2 -0.24 0.15 0.12 -0.04 2.71 2.70 2yu1A1 ASP 164 HB3 -0.27 0.01 -0.02 -0.04 2.70 2.37 2yu1A1 PHE 165 H 0.07 0.31 -0.26 -0.55 8.34 7.90 2yu1A1 PHE 165 HA -0.00 0.12 0.53 -0.75 4.62 4.52 2yu1A1 PHE 165 HB2 -0.12 0.14 0.24 -0.04 3.15 3.37 2yu1A1 PHE 165 HB3 -0.05 -0.06 0.03 -0.04 3.06 2.94 2yu1A1 PHE 165 HD2 -0.06 0.07 0.05 -0.04 7.28 7.30 2yu1A1 PHE 165 HE2 -0.01 -0.02 -0.02 -0.04 7.38 7.29 2yu1A1 PHE 165 HZ 0.01 -0.01 0.01 -0.04 7.32 7.28 2yu1A1 ILE 166 H 0.04 0.22 -0.13 -0.55 8.25 7.82 2yu1A1 ILE 166 HA 0.27 0.27 0.91 -0.75 4.18 4.87 2yu1A1 ILE 166 HB 0.35 -0.20 0.10 -0.04 1.89 2.10 2yu1A1 ILE 166 HG12 -0.13 0.11 -0.00 -0.04 1.49 1.43 2yu1A1 ILE 166 HG13 0.10 -0.03 -0.26 -0.04 1.21 0.97 2yu1A1 ILE 166 HG23 -0.00 0.02 -0.10 -0.04 0.93 0.81 2yu1A1 ILE 166 HD13 -0.20 -0.02 -0.15 -0.04 0.88 0.47 2yu1A1 ASP 167 H 0.04 0.31 -0.23 -0.55 8.40 7.96 2yu1A1 ASP 167 HA 0.26 0.05 0.47 -0.75 4.63 4.65 2yu1A1 ASP 167 HB2 -0.02 0.24 0.17 -0.04 2.71 3.06 2yu1A1 ASP 167 HB3 0.07 0.05 0.13 -0.04 2.70 2.91 2yu1A1 TRP 168 H 0.44 0.45 0.40 -0.55 7.97 8.70 2yu1A1 TRP 168 HA 0.14 0.12 0.31 -0.75 4.62 4.44 2yu1A1 TRP 168 HB2 0.12 -0.09 0.14 -0.04 3.23 3.37 2yu1A1 TRP 168 HB3 0.13 0.01 -0.07 -0.04 3.23 3.26 2yu1A1 TRP 168 HD1 0.16 0.17 -0.16 -0.04 7.22 7.34 2yu1A1 TRP 168 HE1 0.08 -0.11 -0.45 -0.04 10.20 9.69 2yu1A1 TRP 168 HE3 -0.11 0.01 -0.09 -0.04 7.59 7.36 2yu1A1 TRP 168 HZ2 -0.09 -0.06 -0.09 -0.04 7.44 7.17 2yu1A1 TRP 168 HZ3 -0.37 0.01 -0.06 -0.04 7.13 6.67 2yu1A1 TRP 168 HH2 -0.17 -0.03 -0.04 -0.04 7.19 6.91 2yu1A1 VAL 169 H 0.34 0.03 -0.17 -0.55 8.24 7.89 2yu1A1 VAL 169 HA 0.27 0.07 0.45 -0.75 4.13 4.17 2yu1A1 VAL 169 HB 0.19 -0.07 0.10 -0.04 2.12 2.30 2yu1A1 VAL 169 HG13 0.13 0.04 -0.12 -0.04 0.97 0.97 2yu1A1 VAL 169 HG23 0.28 -0.00 0.06 -0.04 0.95 1.24 2yu1A1 ASP 170 H 0.13 0.05 -0.05 -0.55 8.40 7.98 2yu1A1 ASP 170 HA 0.03 0.07 0.34 -0.75 4.63 4.32 2yu1A1 ASP 170 HB2 0.04 0.10 0.04 -0.04 2.71 2.85 2yu1A1 ASP 170 HB3 0.00 0.03 0.02 -0.04 2.70 2.71 2yu1A1 ASN 171 H 0.15 0.20 -0.55 -0.55 8.53 7.78 2yu1A1 ASN 171 HA 0.08 0.14 0.77 -0.75 4.76 4.99 2yu1A1 ASN 171 HB2 0.17 0.08 -0.16 -0.04 2.88 2.93 2yu1A1 ASN 171 HB3 0.08 -0.03 -0.12 -0.04 2.79 2.69 2yu1A1 ASN 171 HD21 0.06 0.24 -0.29 -0.04 7.03 6.99 2yu1A1 ASN 171 HD22 0.17 0.21 -0.40 -0.04 7.74 7.68 2yu1A1 MET 172 H 0.14 0.32 -0.12 -0.55 8.47 8.26 2yu1A1 MET 172 HA -0.01 0.17 0.85 -0.75 4.52 4.78 2yu1A1 MET 172 HB2 0.02 0.31 0.20 -0.04 2.15 2.64 2yu1A1 MET 172 HB3 0.02 -0.10 -0.09 -0.04 2.03 1.83 2yu1A1 MET 172 HG2 -0.67 -0.12 -0.07 -0.04 2.63 1.73 2yu1A1 MET 172 HG3 -0.17 -0.04 -0.27 -0.04 2.56 2.04 2yu1A1 MET 172 HE3 -0.12 -0.03 -0.14 -0.04 2.10 1.77 2yu1A1 TRP 173 H 0.26 0.25 0.17 -0.55 7.97 8.10 2yu1A1 TRP 173 HA -0.47 0.02 0.48 -0.75 4.62 3.90 2yu1A1 TRP 173 HB2 -0.01 -0.09 0.13 -0.04 3.23 3.22 2yu1A1 TRP 173 HB3 -0.09 0.08 0.00 -0.04 3.23 3.19 2yu1A1 TRP 173 HD1 -0.19 0.10 -0.23 -0.04 7.22 6.86 2yu1A1 TRP 173 HE1 -0.13 0.32 0.17 -0.04 10.20 10.52 2yu1A1 TRP 173 HE3 0.10 -0.02 -0.03 -0.04 7.59 7.60 2yu1A1 TRP 173 HZ2 -0.42 0.03 -0.16 -0.04 7.44 6.86 2yu1A1 TRP 173 HZ3 0.30 -0.05 -0.23 -0.04 7.13 7.11 2yu1A1 TRP 173 HH2 -0.09 -0.09 -0.07 -0.04 7.19 6.90 2yu1A1 PRO 174 HA -0.16 0.12 0.41 -0.51 4.44 4.30 2yu1A1 PRO 174 HB2 -0.47 -0.10 0.04 -0.04 2.28 1.71 2yu1A1 PRO 174 HB3 -0.07 0.03 0.12 -0.04 2.02 2.05 2yu1A1 PRO 174 HG2 -1.02 0.04 0.12 -0.04 2.03 1.12 2yu1A1 PRO 174 HG3 -0.61 -0.06 0.10 -0.04 2.03 1.42 2yu1A1 PRO 174 HD2 -2.44 0.04 0.23 -0.04 3.68 1.48 2yu1A1 PRO 174 HD3 -1.52 0.20 0.19 -0.04 3.65 2.48 2yu1A1 ARG 175 H -0.04 0.23 0.15 -0.55 8.46 8.26 2yu1A1 ARG 175 HA -0.04 0.16 0.29 -0.75 4.34 4.00 2yu1A1 ARG 175 HB2 -0.00 -0.05 0.02 -0.04 1.90 1.82 2yu1A1 ARG 175 HB3 -0.03 -0.01 0.01 -0.04 1.80 1.73 2yu1A1 ARG 175 HG2 -0.00 0.02 -0.01 -0.04 1.67 1.64 2yu1A1 ARG 175 HG3 0.00 0.22 0.05 -0.04 1.67 1.89 2yu1A1 ARG 175 HD2 0.02 0.21 -0.01 -0.04 3.22 3.40 2yu1A1 ARG 175 HD3 0.01 -0.11 0.03 -0.04 3.22 3.11 2yu1A1 HIS 176 H 0.00 0.09 -0.27 -0.55 8.41 7.68 2yu1A1 HIS 176 HA -0.07 0.11 0.42 -0.75 4.63 4.34 2yu1A1 HIS 176 HB2 -0.10 0.02 0.11 -0.04 3.26 3.25 2yu1A1 HIS 176 HB3 -0.11 0.00 0.03 -0.04 3.20 3.08 2yu1A1 HIS 176 HD2 -0.17 0.02 -0.16 -0.04 6.97 6.62 2yu1A1 HIS 176 HE1 -0.89 -0.05 -0.01 -0.04 7.75 6.76 2yu1A1 LEU 177 H -0.24 0.49 -0.61 -0.55 8.37 7.47 2yu1A1 LEU 177 HA -0.06 0.12 0.72 -0.75 4.35 4.38 2yu1A1 LEU 177 HB2 0.19 0.19 0.04 -0.04 1.64 2.01 2yu1A1 LEU 177 HB3 0.26 0.20 0.21 -0.04 1.64 2.27 2yu1A1 LEU 177 HG -0.84 -0.14 -0.12 -0.04 1.64 0.50 2yu1A1 LEU 177 HD13 -0.18 -0.00 0.05 -0.04 0.93 0.76 2yu1A1 LEU 177 HD23 -0.06 0.00 -0.04 -0.04 0.89 0.74 2yu1A1 LYS 178 H -0.12 0.33 -0.27 -0.55 8.42 7.80 2yu1A1 LYS 178 HA -0.42 0.14 0.68 -0.75 4.32 3.96 2yu1A1 GLU 179 H -0.08 0.07 -0.22 -0.55 8.60 7.83 2yu1A1 GLU 179 HA -0.08 0.19 0.49 -0.75 4.29 4.14 2yu1A1 MET 191 HA 0.04 -0.04 0.47 -0.75 4.52 4.24 2yu1A1 MET 191 HB2 -0.12 0.07 0.11 -0.04 2.15 2.18 2yu1A1 MET 191 HB3 -0.04 0.00 0.11 -0.04 2.03 2.07 2yu1A1 MET 191 HG2 0.02 0.00 0.08 -0.04 2.63 2.69 2yu1A1 MET 191 HG3 0.18 -0.03 0.04 -0.04 2.56 2.70 2yu1A1 MET 191 HE3 -0.07 0.02 0.05 -0.04 2.10 2.05 2yu1A1 GLN 192 H 0.11 0.22 0.03 -0.55 8.47 8.28 2yu1A1 GLN 192 HA 0.09 0.14 0.79 -0.75 4.36 4.62 2yu1A1 GLN 192 HB2 0.16 -0.06 0.21 -0.04 2.15 2.42 2yu1A1 GLN 192 HB3 0.14 0.01 0.01 -0.04 2.02 2.14 2yu1A1 GLN 192 HG2 0.11 -0.03 -0.20 -0.04 2.40 2.24 2yu1A1 GLN 192 HG3 0.13 0.14 -0.02 -0.04 2.39 2.59 2yu1A1 GLN 192 HE21 0.06 -0.05 -0.04 -0.04 6.97 6.90 2yu1A1 GLN 192 HE22 0.07 0.07 -0.05 -0.04 7.69 7.74 2yu1A1 TYR 193 H -0.15 0.23 -0.22 -0.55 8.29 7.61 2yu1A1 TYR 193 HA -1.49 0.05 0.35 -0.75 4.56 2.72 2yu1A1 TYR 193 HB2 -0.66 -0.01 0.01 -0.04 3.06 2.36 2yu1A1 TYR 193 HB3 -0.13 0.31 -0.36 -0.04 2.98 2.76 2yu1A1 TYR 193 HD2 -0.24 0.03 -0.14 -0.04 7.15 6.76 2yu1A1 TYR 193 HE2 -0.11 -0.00 -0.08 -0.04 6.85 6.61 2yu1A1 PRO 194 HA -0.17 0.03 0.41 -0.51 4.44 4.20 2yu1A1 PRO 194 HB2 -0.15 -0.04 0.06 -0.04 2.28 2.11 2yu1A1 PRO 194 HB3 -0.04 0.34 0.08 -0.04 2.02 2.36 2yu1A1 PRO 194 HG2 -0.10 -0.04 0.10 -0.04 2.03 1.95 2yu1A1 PRO 194 HG3 -0.08 0.04 0.04 -0.04 2.03 2.00 2yu1A1 PRO 194 HD2 -1.71 0.12 0.13 -0.04 3.68 2.17 2yu1A1 PRO 194 HD3 -1.32 0.12 0.06 -0.04 3.65 2.48 2yu1A1 LYS 195 H -0.42 0.24 0.24 -0.55 8.42 7.93 2yu1A1 LYS 195 HA -0.41 0.07 0.67 -0.75 4.32 3.90 2yu1A1 VAL 196 H -0.04 0.38 -0.22 -0.55 8.24 7.81 2yu1A1 VAL 196 HA -0.04 0.15 0.65 -0.75 4.13 4.14 2yu1A1 VAL 196 HB 0.52 -0.00 0.14 -0.04 2.12 2.73 2yu1A1 VAL 196 HG13 0.03 -0.01 -0.22 -0.04 0.97 0.72 2yu1A1 VAL 196 HG23 -0.21 0.01 -0.10 -0.04 0.95 0.61 2yu1A1 GLN 197 H -0.01 0.06 0.00 -0.55 8.47 7.98 2yu1A1 GLN 197 HA 0.28 0.31 0.96 -0.75 4.36 5.16 2yu1A1 GLN 197 HB2 0.08 -0.05 0.16 -0.04 2.15 2.30 2yu1A1 GLN 197 HB3 0.16 0.02 -0.01 -0.04 2.02 2.15 2yu1A1 GLN 197 HG2 0.22 0.02 -0.00 -0.04 2.40 2.60 2yu1A1 GLN 197 HG3 0.17 0.01 0.05 -0.04 2.39 2.58 2yu1A1 GLN 197 HE21 0.06 0.05 -0.02 -0.04 6.97 7.01 2yu1A1 GLN 197 HE22 0.16 -0.02 0.02 -0.04 7.69 7.81 2yu1A1 LYS 198 H -0.14 0.02 0.13 -0.55 8.42 7.88 2yu1A1 LYS 198 HA 0.17 0.32 0.96 -0.75 4.32 5.02 2yu1A1 LYS 198 HB2 -0.78 -0.23 0.14 -0.04 1.87 0.95 2yu1A1 LYS 198 HB3 -0.66 0.09 0.01 -0.04 1.79 1.18 2yu1A1 LYS 198 HG2 0.14 0.07 -0.08 -0.04 1.46 1.55 2yu1A1 LYS 198 HG3 -0.08 -0.08 -0.01 -0.04 1.46 1.25 2yu1A1 LYS 198 HD2 -0.39 -0.10 -0.00 -0.04 1.69 1.16 2yu1A1 LYS 198 HD3 -0.15 0.08 -0.03 -0.04 1.68 1.54 2yu1A1 LYS 198 HE2 -0.03 0.21 0.02 -0.04 2.99 3.15 2yu1A1 LYS 198 HE3 0.01 -0.06 -0.02 -0.04 2.99 2.88 2yu1A1 TYR 199 H 0.20 1.03 0.38 -0.55 8.29 9.35 2yu1A1 TYR 199 HA 0.22 0.26 0.99 -0.75 4.56 5.27 2yu1A1 TYR 199 HB2 0.07 -0.06 -0.32 -0.04 3.06 2.71 2yu1A1 TYR 199 HB3 0.11 -0.02 -0.34 -0.04 2.98 2.69 2yu1A1 TYR 199 HD2 0.07 -0.08 -0.43 -0.04 7.15 6.66 2yu1A1 TYR 199 HE2 0.08 0.19 -0.10 -0.04 6.85 6.98 2yu1A1 CYS 200 H 0.30 0.60 0.07 -0.55 8.50 8.92 2yu1A1 CYS 200 HA 0.08 0.30 1.12 -0.75 4.58 5.33 2yu1A1 CYS 200 HB2 0.05 -0.04 -0.07 -0.04 2.97 2.87 2yu1A1 CYS 200 HB3 0.08 0.00 0.15 -0.04 2.97 3.17 2yu1A1 LEU 201 H -0.07 0.41 0.12 -0.55 8.37 8.28 2yu1A1 LEU 201 HA -0.07 0.22 0.87 -0.75 4.35 4.61 2yu1A1 LEU 201 HB2 -0.14 -0.08 -0.02 -0.04 1.64 1.35 2yu1A1 LEU 201 HB3 -0.11 0.01 -0.00 -0.04 1.64 1.50 2yu1A1 LEU 201 HG -0.24 0.00 -0.14 -0.04 1.64 1.22 2yu1A1 LEU 201 HD13 0.00 -0.05 -0.21 -0.04 0.93 0.63 2yu1A1 LEU 201 HD23 0.04 -0.03 -0.27 -0.04 0.89 0.59 2yu1A1 MET 202 H -0.08 0.74 0.35 -0.55 8.47 8.93 2yu1A1 MET 202 HA -0.04 0.24 1.01 -0.75 4.52 4.97 2yu1A1 MET 202 HB2 0.11 -0.07 0.17 -0.04 2.15 2.32 2yu1A1 MET 202 HB3 -0.03 -0.01 0.07 -0.04 2.03 2.02 2yu1A1 MET 202 HG2 -0.14 0.05 -0.11 -0.04 2.63 2.39 2yu1A1 MET 202 HG3 -0.11 0.03 -0.57 -0.04 2.56 1.88 2yu1A1 MET 202 HE3 -0.11 -0.01 -0.05 -0.04 2.10 1.90 2yu1A1 SER 203 H 0.10 0.67 0.31 -0.55 8.46 9.00 2yu1A1 SER 203 HA 0.29 0.13 1.08 -0.75 4.49 5.23 2yu1A1 SER 203 HB2 0.01 0.02 0.01 -0.04 3.95 3.95 2yu1A1 SER 203 HB3 0.05 0.07 0.04 -0.04 3.93 4.05 2yu1A1 VAL 204 H 0.22 0.22 0.21 -0.55 8.24 8.33 2yu1A1 VAL 204 HA 0.04 0.07 0.84 -0.75 4.13 4.32 2yu1A1 VAL 204 HB 0.20 0.07 0.11 -0.04 2.12 2.46 2yu1A1 VAL 204 HG13 -0.07 0.06 -0.08 -0.04 0.97 0.83 2yu1A1 VAL 204 HG23 -0.08 -0.00 -0.05 -0.04 0.95 0.77 2yu1A1 ARG 205 H -0.08 0.04 0.05 -0.55 8.46 7.92 2yu1A1 ARG 205 HA -0.11 0.13 -0.05 -0.75 4.34 3.56 2yu1A1 ARG 205 HB2 -0.07 -0.19 0.18 -0.04 1.90 1.77 2yu1A1 ARG 205 HB3 -0.06 -0.01 0.14 -0.04 1.80 1.82 2yu1A1 ARG 205 HG2 -0.00 0.02 -0.10 -0.04 1.67 1.55 2yu1A1 ARG 205 HG3 -0.02 0.51 0.24 -0.04 1.67 2.36 2yu1A1 ARG 205 HD2 0.00 -0.01 -0.03 -0.04 3.22 3.14 2yu1A1 ARG 205 HD3 0.01 0.01 0.05 -0.04 3.22 3.25 2yu1A1 GLY 206 H -0.25 0.69 0.28 -0.55 8.43 8.60 2yu1A1 GLY 206 HA2 0.13 -0.06 0.30 -0.51 4.01 3.87 2yu1A1 GLY 206 HA3 0.06 0.15 0.69 -0.51 4.01 4.40 2yu1A1 CYS 207 H -0.02 0.51 -0.03 -0.55 8.50 8.41 2yu1A1 CYS 207 HA 0.14 0.14 0.62 -0.75 4.58 4.73 2yu1A1 CYS 207 HB2 0.10 -0.04 -0.09 -0.04 2.97 2.91 2yu1A1 CYS 207 HB3 0.14 0.04 -0.10 -0.04 2.97 3.01 2yu1A1 TYR 208 H 0.24 0.23 0.19 -0.55 8.29 8.40 2yu1A1 TYR 208 HA 0.17 0.25 1.08 -0.75 4.56 5.31 2yu1A1 TYR 208 HB2 0.34 -0.01 -0.10 -0.04 3.06 3.25 2yu1A1 TYR 208 HB3 0.16 0.04 0.13 -0.04 2.98 3.27 2yu1A1 TYR 208 HD2 0.25 0.04 -0.15 -0.04 7.15 7.25 2yu1A1 TYR 208 HE2 -0.00 -0.03 -0.15 -0.04 6.85 6.63 2yu1A1 THR 209 H -0.24 0.60 0.22 -0.55 8.28 8.31 2yu1A1 THR 209 HA -0.18 0.11 0.80 -0.75 4.39 4.36 2yu1A1 THR 209 HB -0.11 -0.09 0.15 -0.04 4.32 4.22 2yu1A1 THR 209 HG23 -0.11 0.06 -0.12 -0.04 1.22 1.01 2yu1A1 ASP 210 H -0.18 0.17 0.12 -0.55 8.40 7.96 2yu1A1 ASP 210 HA -0.39 -0.04 0.39 -0.75 4.63 3.83 2yu1A1 ASP 210 HB2 0.28 0.06 0.13 -0.04 2.71 3.14 2yu1A1 ASP 210 HB3 0.24 0.10 0.03 -0.04 2.70 3.03 2yu1A1 PHE 211 H 0.17 -0.04 0.12 -0.55 8.34 8.04 2yu1A1 PHE 211 HA -0.11 0.34 0.22 -0.75 4.62 4.32 2yu1A1 PHE 211 HB2 -0.39 -0.05 0.06 -0.04 3.15 2.73 2yu1A1 PHE 211 HB3 -0.33 0.04 -0.16 -0.04 3.06 2.58 2yu1A1 PHE 211 HD2 -0.37 0.03 -0.18 -0.04 7.28 6.72 2yu1A1 PHE 211 HE2 -1.08 0.04 -0.16 -0.04 7.38 6.14 2yu1A1 PHE 211 HZ -0.71 0.01 -0.11 -0.04 7.32 6.47 2yu1A1 HIS 212 H -0.41 0.50 0.40 -0.55 8.41 8.36 2yu1A1 HIS 212 HA 0.27 0.08 0.56 -0.75 4.63 4.79 2yu1A1 HIS 212 HB2 0.08 -0.04 0.04 -0.04 3.26 3.30 2yu1A1 HIS 212 HB3 0.07 0.17 -0.27 -0.04 3.20 3.13 2yu1A1 HIS 212 HD2 0.05 -0.04 -0.66 -0.04 6.97 6.27 2yu1A1 HIS 212 HE1 0.07 -0.09 -0.18 -0.04 7.75 7.51 2yu1A1 VAL 213 H 0.26 0.28 0.12 -0.55 8.24 8.35 2yu1A1 VAL 213 HA -0.05 0.33 0.86 -0.75 4.13 4.51 2yu1A1 VAL 213 HB 0.21 -0.06 0.05 -0.04 2.12 2.28 2yu1A1 VAL 213 HG13 0.10 0.04 -0.15 -0.04 0.97 0.92 2yu1A1 VAL 213 HG23 -0.34 0.03 -0.29 -0.04 0.95 0.31 2yu1A1 ASP 214 H 0.29 0.19 0.03 -0.55 8.40 8.37 2yu1A1 ASP 214 HA 0.38 0.01 0.32 -0.75 4.63 4.59 2yu1A1 ASP 214 HB2 0.21 0.13 -0.02 -0.04 2.71 2.99 2yu1A1 ASP 214 HB3 0.35 0.03 -0.08 -0.04 2.70 2.96 2yu1A1 PHE 215 H 0.59 0.11 0.13 -0.55 8.34 8.62 2yu1A1 PHE 215 HA 0.08 0.05 0.38 -0.75 4.62 4.39 2yu1A1 PHE 215 HB2 0.12 -0.05 0.11 -0.04 3.15 3.29 2yu1A1 PHE 215 HB3 0.10 0.10 0.17 -0.04 3.06 3.39 2yu1A1 PHE 215 HD2 0.11 -0.07 -0.19 -0.04 7.28 7.09 2yu1A1 PHE 215 HE2 0.00 0.01 -0.07 -0.04 7.38 7.28 2yu1A1 PHE 215 HZ 0.17 0.07 -0.01 -0.04 7.32 7.51 2yu1A1 GLY 216 H 0.08 0.16 0.17 -0.55 8.43 8.29 2yu1A1 GLY 216 HA2 -0.11 0.00 0.34 -0.51 4.01 3.73 2yu1A1 GLY 216 HA3 -0.17 0.05 0.39 -0.51 4.01 3.77 2yu1A1 GLY 217 H 0.05 0.28 -0.34 -0.55 8.43 7.87 2yu1A1 GLY 217 HA2 0.03 -0.00 0.26 -0.51 4.01 3.78 2yu1A1 GLY 217 HA3 -0.02 0.00 0.43 -0.51 4.01 3.92 2yu1A1 THR 218 H -0.06 0.36 -0.44 -0.55 8.28 7.58 2yu1A1 THR 218 HA -0.24 0.05 0.44 -0.75 4.39 3.89 2yu1A1 THR 218 HB -0.11 0.08 0.01 -0.04 4.32 4.25 2yu1A1 THR 218 HG23 -0.20 -0.02 -0.23 -0.04 1.22 0.73 2yu1A1 SER 219 H -0.52 0.55 0.38 -0.55 8.46 8.32 2yu1A1 SER 219 HA -0.21 0.18 0.64 -0.75 4.49 4.34 2yu1A1 SER 219 HB2 -1.27 -0.08 0.05 -0.04 3.95 2.61 2yu1A1 SER 219 HB3 -0.33 0.15 0.16 -0.04 3.93 3.87 2yu1A1 VAL 220 H -0.25 0.50 0.30 -0.55 8.24 8.25 2yu1A1 VAL 220 HA -0.03 0.33 1.12 -0.75 4.13 4.80 2yu1A1 VAL 220 HB -0.15 0.03 -0.27 -0.04 2.12 1.69 2yu1A1 VAL 220 HG13 -0.28 -0.02 -0.10 -0.04 0.97 0.53 2yu1A1 VAL 220 HG23 -0.86 0.02 -0.21 -0.04 0.95 -0.14 2yu1A1 TRP 221 H 0.10 0.54 0.39 -0.55 7.97 8.45 2yu1A1 TRP 221 HA -0.09 0.45 1.12 -0.75 4.62 5.34 2yu1A1 TRP 221 HB2 0.07 -0.00 0.05 -0.04 3.23 3.31 2yu1A1 TRP 221 HB3 0.19 -0.02 0.04 -0.04 3.23 3.40 2yu1A1 TRP 221 HD1 0.13 0.01 -0.19 -0.04 7.22 7.14 2yu1A1 TRP 221 HE1 0.16 0.05 -0.14 -0.04 10.20 10.23 2yu1A1 TRP 221 HE3 0.20 0.07 -0.05 -0.04 7.59 7.77 2yu1A1 TRP 221 HZ2 0.13 0.05 -0.26 -0.04 7.44 7.32 2yu1A1 TRP 221 HZ3 0.15 0.12 -0.16 -0.04 7.13 7.20 2yu1A1 TRP 221 HH2 0.10 0.01 -0.15 -0.04 7.19 7.11 2yu1A1 TYR 222 H 0.19 0.57 0.38 -0.55 8.29 8.88 2yu1A1 TYR 222 HA -0.35 0.19 0.89 -0.75 4.56 4.54 2yu1A1 TYR 222 HB2 0.16 -0.03 -0.02 -0.04 3.06 3.13 2yu1A1 TYR 222 HB3 0.08 -0.01 -0.18 -0.04 2.98 2.83 2yu1A1 TYR 222 HD2 0.01 -0.00 -0.17 -0.04 7.15 6.94 2yu1A1 TYR 222 HE2 0.07 -0.00 -0.21 -0.04 6.85 6.67 2yu1A1 HIS 223 H 0.24 0.53 0.21 -0.55 8.41 8.84 2yu1A1 HIS 223 HA 0.28 0.38 1.07 -0.75 4.63 5.60 2yu1A1 HIS 223 HB2 0.44 -0.05 -0.01 -0.04 3.26 3.61 2yu1A1 HIS 223 HB3 0.31 -0.03 0.20 -0.04 3.20 3.64 2yu1A1 HIS 223 HD2 0.27 -0.07 -0.34 -0.04 6.97 6.79 2yu1A1 HIS 223 HE1 0.17 -0.01 -0.08 -0.04 7.75 7.79 2yu1A1 ILE 224 H -0.09 0.54 0.07 -0.55 8.25 8.22 2yu1A1 ILE 224 HA 0.03 0.01 0.44 -0.75 4.18 3.92 2yu1A1 ILE 224 HB -0.08 0.14 0.12 -0.04 1.89 2.03 2yu1A1 ILE 224 HG12 -0.05 0.00 -0.30 -0.04 1.49 1.11 2yu1A1 ILE 224 HG13 -0.01 -0.04 -0.26 -0.04 1.21 0.87 2yu1A1 ILE 224 HG23 -0.05 -0.01 -0.70 -0.04 0.93 0.14 2yu1A1 ILE 224 HD13 0.07 -0.03 -0.21 -0.04 0.88 0.67 2yu1A1 HIS 225 H 0.17 0.37 0.44 -0.55 8.41 8.85 2yu1A1 HIS 225 HA 0.22 0.05 0.53 -0.75 4.63 4.68 2yu1A1 HIS 225 HB2 0.21 -0.04 0.12 -0.04 3.26 3.51 2yu1A1 HIS 225 HB3 0.06 0.03 0.12 -0.04 3.20 3.37 2yu1A1 HIS 225 HD2 0.25 -0.04 0.04 -0.04 6.97 7.18 2yu1A1 HIS 225 HE1 0.21 0.02 -0.27 -0.04 7.75 7.67 2yu1A1 GLN 226 H 0.05 0.38 0.21 -0.55 8.47 8.57 2yu1A1 GLN 226 HA -0.05 0.16 0.80 -0.75 4.36 4.51 2yu1A1 GLN 226 HB2 -0.01 0.00 0.12 -0.04 2.15 2.21 2yu1A1 GLN 226 HB3 -0.08 0.18 -0.02 -0.04 2.02 2.05 2yu1A1 GLN 226 HG2 0.06 0.02 0.07 -0.04 2.40 2.52 2yu1A1 GLN 226 HG3 0.04 -0.27 0.21 -0.04 2.39 2.34 2yu1A1 GLN 226 HE21 0.14 -0.08 0.01 -0.04 6.97 6.99 2yu1A1 GLN 226 HE22 0.12 0.08 0.05 -0.04 7.69 7.89 2yu1A1 GLY 227 H -0.03 0.18 0.12 -0.55 8.43 8.15 2yu1A1 GLY 227 HA2 -0.03 0.03 0.25 -0.51 4.01 3.75 2yu1A1 GLY 227 HA3 -0.02 0.19 0.83 -0.51 4.01 4.50 2yu1A1 GLY 228 H -0.05 0.35 0.14 -0.55 8.43 8.32 2yu1A1 GLY 228 HA2 -0.09 0.10 0.28 -0.51 4.01 3.79 2yu1A1 GLY 228 HA3 -0.08 0.06 0.40 -0.51 4.01 3.88 2yu1A1 LYS 229 H -0.06 0.55 0.32 -0.55 8.42 8.67 2yu1A1 LYS 229 HA -0.11 0.21 0.89 -0.75 4.32 4.56 2yu1A1 LYS 229 HB2 0.01 -0.07 -0.10 -0.04 1.87 1.67 2yu1A1 LYS 229 HB3 -0.26 0.03 -0.11 -0.04 1.79 1.41 2yu1A1 LYS 229 HG2 -0.15 0.06 -0.02 -0.04 1.46 1.31 2yu1A1 LYS 229 HG3 -0.09 -0.03 -0.42 -0.04 1.46 0.88 2yu1A1 LYS 229 HD2 -0.13 -0.04 -0.23 -0.04 1.69 1.25 2yu1A1 LYS 229 HD3 -0.29 0.01 -0.20 -0.04 1.68 1.16 2yu1A1 LYS 229 HE2 -0.12 -0.01 -0.22 -0.04 2.99 2.60 2yu1A1 LYS 229 HE3 -0.19 -0.02 -0.21 -0.04 2.99 2.52 2yu1A1 VAL 230 H -0.10 0.74 0.40 -0.55 8.24 8.72 2yu1A1 VAL 230 HA -0.14 0.24 1.17 -0.75 4.13 4.65 2yu1A1 VAL 230 HB -0.06 -0.07 0.15 -0.04 2.12 2.09 2yu1A1 VAL 230 HG13 -0.72 0.02 -0.13 -0.04 0.97 0.10 2yu1A1 VAL 230 HG23 -0.00 -0.01 -0.07 -0.04 0.95 0.83 2yu1A1 PHE 231 H -0.06 0.73 0.37 -0.55 8.34 8.82 2yu1A1 PHE 231 HA 0.04 0.36 1.18 -0.75 4.62 5.45 2yu1A1 PHE 231 HB2 -0.18 -0.06 0.01 -0.04 3.15 2.88 2yu1A1 PHE 231 HB3 0.09 0.02 -0.14 -0.04 3.06 2.99 2yu1A1 PHE 231 HD2 -0.02 0.02 -0.24 -0.04 7.28 7.00 2yu1A1 PHE 231 HE2 0.08 -0.01 -0.23 -0.04 7.38 7.18 2yu1A1 PHE 231 HZ 0.05 -0.02 -0.22 -0.04 7.32 7.09 2yu1A1 TRP 232 H 0.46 0.50 0.32 -0.55 7.97 8.71 2yu1A1 TRP 232 HA 0.16 0.17 0.80 -0.75 4.62 5.00 2yu1A1 TRP 232 HB2 -0.16 -0.09 0.19 -0.04 3.23 3.14 2yu1A1 TRP 232 HB3 0.20 -0.02 -0.04 -0.04 3.23 3.32 2yu1A1 TRP 232 HD1 -0.37 -0.04 -0.08 -0.04 7.22 6.69 2yu1A1 TRP 232 HE1 -0.17 0.23 0.02 -0.04 10.20 10.23 2yu1A1 TRP 232 HE3 0.04 0.10 -0.33 -0.04 7.59 7.36 2yu1A1 TRP 232 HZ2 -0.11 0.12 -0.65 -0.04 7.44 6.76 2yu1A1 TRP 232 HZ3 0.30 -0.01 -0.38 -0.04 7.13 7.00 2yu1A1 TRP 232 HH2 -0.19 -0.03 -0.23 -0.04 7.19 6.71 2yu1A1 LEU 233 H 0.38 0.64 0.24 -0.55 8.37 9.09 2yu1A1 LEU 233 HA 0.44 0.25 1.01 -0.75 4.35 5.29 2yu1A1 LEU 233 HB2 0.46 -0.07 0.10 -0.04 1.64 2.09 2yu1A1 LEU 233 HB3 0.38 0.03 -0.05 -0.04 1.64 1.96 2yu1A1 LEU 233 HG 0.26 0.06 -0.17 -0.04 1.64 1.74 2yu1A1 LEU 233 HD13 0.09 -0.01 -0.12 -0.04 0.93 0.85 2yu1A1 LEU 233 HD23 0.24 0.03 -0.23 -0.04 0.89 0.89 2yu1A1 ILE 234 H 0.35 0.56 0.28 -0.55 8.25 8.89 2yu1A1 ILE 234 HA -0.02 0.21 0.91 -0.75 4.18 4.52 2yu1A1 ILE 234 HB -0.10 0.04 0.15 -0.04 1.89 1.94 2yu1A1 ILE 234 HG12 -0.03 0.08 -0.09 -0.04 1.49 1.41 2yu1A1 ILE 234 HG13 0.18 -0.06 -0.51 -0.04 1.21 0.78 2yu1A1 ILE 234 HG23 -0.25 0.02 -0.06 -0.04 0.93 0.60 2yu1A1 ILE 234 HD13 -0.65 -0.04 -0.27 -0.04 0.88 -0.12 2yu1A1 PRO 235 HA -2.62 0.22 0.62 -0.51 4.44 2.15 2yu1A1 PRO 235 HB2 -0.84 0.02 -0.00 -0.04 2.28 1.42 2yu1A1 PRO 235 HB3 -1.73 0.08 0.06 -0.04 2.02 0.39 2yu1A1 PRO 235 HG2 -0.39 -0.12 0.14 -0.04 2.03 1.62 2yu1A1 PRO 235 HG3 -0.45 0.06 0.07 -0.04 2.03 1.67 2yu1A1 PRO 235 HD2 -0.29 0.14 0.30 -0.04 3.68 3.79 2yu1A1 PRO 235 HD3 -1.10 0.16 0.13 -0.04 3.65 2.80 2yu1A1 PRO 236 HA -0.32 0.11 0.35 -0.51 4.44 4.07 2yu1A1 PRO 236 HB2 -0.19 -0.03 0.15 -0.04 2.28 2.18 2yu1A1 PRO 236 HB3 -0.27 0.17 -0.09 -0.04 2.02 1.79 2yu1A1 PRO 236 HG2 -0.36 -0.02 -0.02 -0.04 2.03 1.59 2yu1A1 PRO 236 HG3 -0.31 0.21 0.00 -0.04 2.03 1.88 2yu1A1 PRO 236 HD2 -2.00 0.09 0.14 -0.04 3.68 1.87 2yu1A1 PRO 236 HD3 -1.76 0.14 -0.01 -0.04 3.65 1.97 2yu1A1 THR 237 H -0.32 0.72 -0.36 -0.55 8.28 7.77 2yu1A1 THR 237 HA -0.10 0.09 0.43 -0.75 4.39 4.06 2yu1A1 THR 237 HB -0.15 0.17 0.18 -0.04 4.32 4.48 2yu1A1 THR 237 HG23 0.03 -0.17 -0.06 -0.04 1.22 0.98 2yu1A1 ALA 238 H -0.02 0.19 0.18 -0.55 8.40 8.20 2yu1A1 ALA 238 HA -0.01 0.13 0.30 -0.75 4.34 4.00 2yu1A1 ALA 238 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 2yu1A1 HIS 239 H 0.09 0.03 -0.33 -0.55 8.41 7.65 2yu1A1 HIS 239 HA -0.02 0.10 0.44 -0.75 4.63 4.39 2yu1A1 HIS 239 HB2 -0.02 0.03 0.07 -0.04 3.26 3.30 2yu1A1 HIS 239 HB3 -0.04 -0.06 0.08 -0.04 3.20 3.14 2yu1A1 HIS 239 HD2 -0.03 -0.03 -0.01 -0.04 6.97 6.85 2yu1A1 HIS 239 HE1 -0.02 0.03 -0.01 -0.04 7.75 7.71 2yu1A1 ASN 240 H -0.08 0.06 -0.07 -0.55 8.53 7.89 2yu1A1 ASN 240 HA -0.33 0.00 0.38 -0.75 4.76 4.07 2yu1A1 ASN 240 HB2 -0.21 0.12 0.24 -0.04 2.88 2.99 2yu1A1 ASN 240 HB3 -0.24 0.01 -0.02 -0.04 2.79 2.51 2yu1A1 ASN 240 HD21 -0.11 -0.04 0.13 -0.04 7.03 6.97 2yu1A1 ASN 240 HD22 -0.27 0.38 0.21 -0.04 7.74 8.02 2yu1A1 LEU 241 H -0.08 0.71 -0.25 -0.55 8.37 8.20 2yu1A1 LEU 241 HA 0.06 0.03 0.31 -0.75 4.35 3.99 2yu1A1 LEU 241 HB2 -0.02 0.07 -0.09 -0.04 1.64 1.56 2yu1A1 LEU 241 HB3 0.03 -0.02 -0.06 -0.04 1.64 1.55 2yu1A1 LEU 241 HG -0.11 -0.08 -0.21 -0.04 1.64 1.20 2yu1A1 LEU 241 HD13 -0.03 -0.00 -0.08 -0.04 0.93 0.78 2yu1A1 LEU 241 HD23 0.00 0.03 -0.05 -0.04 0.89 0.83 2yu1A1 GLU 242 H -0.03 0.38 -0.48 -0.55 8.60 7.92 2yu1A1 GLU 242 HA 0.01 0.07 0.57 -0.75 4.29 4.19 2yu1A1 GLU 242 HB2 0.03 0.19 0.26 -0.04 2.09 2.52 2yu1A1 GLU 242 HB3 0.03 -0.05 -0.02 -0.04 1.99 1.91 2yu1A1 GLU 242 HG2 0.03 0.04 0.02 -0.04 2.34 2.38 2yu1A1 GLU 242 HG3 0.04 -0.04 0.01 -0.04 2.34 2.32 2yu1A1 LEU 243 H -0.13 0.53 0.09 -0.55 8.37 8.31 2yu1A1 LEU 243 HA -0.04 -0.00 0.35 -0.75 4.35 3.90 2yu1A1 LEU 243 HB2 -0.23 0.14 0.19 -0.04 1.64 1.71 2yu1A1 LEU 243 HB3 -0.17 -0.04 -0.09 -0.04 1.64 1.30 2yu1A1 LEU 243 HG -0.50 0.03 0.01 -0.04 1.64 1.14 2yu1A1 LEU 243 HD13 -0.31 -0.01 -0.13 -0.04 0.93 0.43 2yu1A1 LEU 243 HD23 -0.07 -0.01 -0.01 -0.04 0.89 0.76 2yu1A1 TYR 244 H 0.07 0.62 -0.29 -0.55 8.29 8.14 2yu1A1 TYR 244 HA 0.08 -0.02 0.33 -0.75 4.56 4.19 2yu1A1 TYR 244 HB2 -0.11 -0.02 -0.03 -0.04 3.06 2.86 2yu1A1 TYR 244 HB3 -0.03 0.09 0.02 -0.04 2.98 3.01 2yu1A1 TYR 244 HD2 0.21 -0.00 -0.08 -0.04 7.15 7.23 2yu1A1 TYR 244 HE2 0.30 0.06 -0.12 -0.04 6.85 7.05 2yu1A1 GLU 245 H 0.02 0.41 -0.24 -0.55 8.60 8.24 2yu1A1 GLU 245 HA -0.30 0.05 0.49 -0.75 4.29 3.78 2yu1A1 GLU 245 HB2 -0.05 0.16 0.19 -0.04 2.09 2.35 2yu1A1 GLU 245 HB3 -0.04 0.03 0.14 -0.04 1.99 2.08 2yu1A1 GLU 245 HG2 -0.08 -0.02 -0.07 -0.04 2.34 2.13 2yu1A1 GLU 245 HG3 -0.12 -0.00 0.05 -0.04 2.34 2.22 2yu1A1 ASN 246 H 0.01 0.67 -0.06 -0.55 8.53 8.61 2yu1A1 ASN 246 HA -0.01 0.04 0.41 -0.75 4.76 4.44 2yu1A1 ASN 246 HB2 0.04 0.13 0.09 -0.04 2.88 3.10 2yu1A1 ASN 246 HB3 0.03 -0.06 0.02 -0.04 2.79 2.74 2yu1A1 ASN 246 HD21 0.02 -0.05 -0.08 -0.04 7.03 6.88 2yu1A1 ASN 246 HD22 0.02 -0.02 -0.14 -0.04 7.74 7.55 2yu1A1 TRP 247 H 0.20 0.40 -0.45 -0.55 7.97 7.58 2yu1A1 TRP 247 HA -0.05 -0.02 0.44 -0.75 4.62 4.23 2yu1A1 TRP 247 HB2 -0.05 0.04 0.06 -0.04 3.23 3.23 2yu1A1 TRP 247 HB3 -0.04 0.22 0.14 -0.04 3.23 3.51 2yu1A1 TRP 247 HD1 -0.03 -0.02 -0.02 -0.04 7.22 7.11 2yu1A1 TRP 247 HE1 0.02 -0.09 -0.09 -0.04 10.20 9.99 2yu1A1 TRP 247 HE3 0.22 0.15 -0.06 -0.04 7.59 7.86 2yu1A1 TRP 247 HZ2 0.13 -0.01 0.05 -0.04 7.44 7.57 2yu1A1 TRP 247 HZ3 0.38 0.14 -0.14 -0.04 7.13 7.48 2yu1A1 TRP 247 HH2 0.20 0.09 0.01 -0.04 7.19 7.45 2yu1A1 LEU 248 H -0.09 0.45 -0.21 -0.55 8.37 7.96 2yu1A1 LEU 248 HA -0.57 0.04 0.60 -0.75 4.35 3.67 2yu1A1 LEU 248 HB2 -0.28 0.11 0.15 -0.04 1.64 1.59 2yu1A1 LEU 248 HB3 -0.27 0.01 0.08 -0.04 1.64 1.42 2yu1A1 LEU 248 HG -0.42 0.21 0.04 -0.04 1.64 1.43 2yu1A1 LEU 248 HD13 -0.37 -0.02 -0.03 -0.04 0.93 0.46 2yu1A1 LEU 248 HD23 -0.41 -0.01 -0.03 -0.04 0.89 0.40 2yu1A1 LEU 249 H -0.12 0.28 -0.33 -0.55 8.37 7.66 2yu1A1 LEU 249 HA -0.12 0.17 0.64 -0.75 4.35 4.29 2yu1A1 LEU 249 HB2 -0.05 0.07 0.16 -0.04 1.64 1.78 2yu1A1 LEU 249 HB3 -0.06 -0.04 0.06 -0.04 1.64 1.56 2yu1A1 LEU 249 HG -0.09 0.32 0.06 -0.04 1.64 1.89 2yu1A1 LEU 249 HD13 -0.04 -0.04 -0.04 -0.04 0.93 0.77 2yu1A1 LEU 249 HD23 -0.08 0.01 -0.05 -0.04 0.89 0.72 2yu1A1 SER 250 H -0.08 0.41 -0.03 -0.55 8.46 8.21 2yu1A1 SER 250 HA -0.05 0.08 0.40 -0.75 4.49 4.17 2yu1A1 SER 250 HB2 -0.01 -0.04 0.17 -0.04 3.95 4.03 2yu1A1 SER 250 HB3 -0.00 0.07 0.14 -0.04 3.93 4.10 2yu1A1 GLY 251 H -0.19 0.16 -1.35 -0.55 8.43 6.51 2yu1A1 GLY 251 HA2 -0.17 0.11 0.19 -0.51 4.01 3.62 2yu1A1 GLY 251 HA3 -0.13 0.11 0.62 -0.51 4.01 4.11 2yu1A1 SER 252 H -0.50 0.37 -0.04 -0.55 8.46 7.75 2yu1A1 SER 252 HA -1.88 0.04 0.29 -0.75 4.49 2.19 2yu1A1 SER 252 HB2 -1.65 -0.03 0.04 -0.04 3.95 2.27 2yu1A1 SER 252 HB3 -0.61 0.02 -0.32 -0.04 3.93 2.98 2yu1A1 GLN 253 H -0.17 0.10 -0.67 -0.55 8.47 7.18 2yu1A1 GLN 253 HA -0.02 0.16 0.24 -0.75 4.36 4.00 2yu1A1 GLN 253 HB2 0.17 -0.13 0.01 -0.04 2.15 2.16 2yu1A1 GLN 253 HB3 0.11 -0.10 -0.02 -0.04 2.02 1.97 2yu1A1 GLN 253 HG2 0.01 0.10 0.06 -0.04 2.40 2.53 2yu1A1 GLN 253 HG3 0.01 0.08 -0.02 -0.04 2.39 2.41 2yu1A1 GLN 253 HE21 0.06 -0.03 -0.01 -0.04 6.97 6.94 2yu1A1 GLN 253 HE22 0.05 0.05 0.01 -0.04 7.69 7.76 2yu1A1 GLY 254 H 0.35 0.05 -0.02 -0.55 8.43 8.26 2yu1A1 GLY 254 HA2 0.44 -0.02 0.40 -0.51 4.01 4.32 2yu1A1 GLY 254 HA3 0.20 0.27 0.73 -0.51 4.01 4.70 2yu1A1 ASP 255 H 0.24 -0.06 -0.21 -0.55 8.40 7.82 2yu1A1 ASP 255 HA 0.18 0.06 0.70 -0.75 4.63 4.82 2yu1A1 ASP 255 HB2 0.09 0.13 -0.07 -0.04 2.71 2.82 2yu1A1 ASP 255 HB3 0.12 -0.04 -0.04 -0.04 2.70 2.70 2yu1A1 ILE 256 H 0.31 -0.04 0.02 -0.55 8.25 7.98 2yu1A1 ILE 256 HA 0.12 0.23 0.82 -0.75 4.18 4.59 2yu1A1 ILE 256 HB 0.18 -0.03 -0.08 -0.04 1.89 1.92 2yu1A1 ILE 256 HG12 0.11 0.10 -0.18 -0.04 1.49 1.48 2yu1A1 ILE 256 HG13 0.19 -0.19 -0.14 -0.04 1.21 1.02 2yu1A1 ILE 256 HG23 -0.03 0.03 -0.21 -0.04 0.93 0.68 2yu1A1 ILE 256 HD13 0.21 0.03 -0.07 -0.04 0.88 1.00 2yu1A1 PHE 257 H 0.00 0.24 0.02 -0.55 8.34 8.05 2yu1A1 PHE 257 HA -0.61 0.17 0.66 -0.75 4.62 4.09 2yu1A1 PHE 257 HB2 -0.82 0.06 -0.02 -0.04 3.15 2.33 2yu1A1 PHE 257 HB3 -0.33 -0.01 0.12 -0.04 3.06 2.80 2yu1A1 PHE 257 HD2 -0.79 0.03 -0.08 -0.04 7.28 6.40 2yu1A1 PHE 257 HE2 -0.86 0.08 -0.09 -0.04 7.38 6.47 2yu1A1 PHE 257 HZ -2.67 0.10 -0.10 -0.04 7.32 4.61 2yu1A1 LEU 258 H -0.85 0.28 0.06 -0.55 8.37 7.31 2yu1A1 LEU 258 HA -0.82 0.08 0.20 -0.75 4.35 3.06 2yu1A1 LEU 258 HB2 -1.61 0.03 0.08 -0.04 1.64 0.10 2yu1A1 LEU 258 HB3 -2.21 0.04 -0.16 -0.04 1.64 -0.73 2yu1A1 LEU 258 HG -2.08 0.04 -0.06 -0.04 1.64 -0.50 2yu1A1 LEU 258 HD13 -1.05 0.02 -0.12 -0.04 0.93 -0.26 2yu1A1 LEU 258 HD23 -0.68 -0.01 -0.08 -0.04 0.89 0.08 2yu1A1 GLY 259 H -1.79 0.05 -0.43 -0.55 8.43 5.72 2yu1A1 GLY 259 HA2 -0.52 0.09 0.25 -0.51 4.01 3.33 2yu1A1 GLY 259 HA3 -0.57 0.04 0.15 -0.51 4.01 3.12 2yu1A1 ASP 260 H -0.19 0.41 -0.37 -0.55 8.40 7.70 2yu1A1 ASP 260 HA 0.15 0.17 0.53 -0.75 4.63 4.73 2yu1A1 ASP 260 HB2 0.04 0.07 0.04 -0.04 2.71 2.83 2yu1A1 ASP 260 HB3 0.06 0.01 0.03 -0.04 2.70 2.75 2yu1A1 ARG 261 H -0.28 0.23 -0.37 -0.55 8.46 7.49 2yu1A1 ARG 261 HA -0.08 0.09 0.52 -0.75 4.34 4.11 2yu1A1 ARG 261 HB2 -0.28 -0.08 -0.01 -0.04 1.90 1.48 2yu1A1 ARG 261 HB3 -0.30 0.03 -0.03 -0.04 1.80 1.47 2yu1A1 ARG 261 HG2 -0.13 -0.03 -0.05 -0.04 1.67 1.43 2yu1A1 ARG 261 HG3 -0.08 0.02 0.04 -0.04 1.67 1.61 2yu1A1 ARG 261 HD2 -0.09 -0.04 -0.11 -0.04 3.22 2.95 2yu1A1 ARG 261 HD3 -0.20 -0.02 -0.10 -0.04 3.22 2.87 2yu1A1 VAL 262 H -0.17 0.21 -0.31 -0.55 8.24 7.41 2yu1A1 VAL 262 HA -0.08 0.09 0.63 -0.75 4.13 4.02 2yu1A1 VAL 262 HB -0.07 -0.14 0.06 -0.04 2.12 1.93 2yu1A1 VAL 262 HG13 -0.27 0.01 -0.06 -0.04 0.97 0.61 2yu1A1 VAL 262 HG23 -0.08 0.02 -0.23 -0.04 0.95 0.62 2yu1A1 SER 263 H 0.04 0.04 0.13 -0.55 8.46 8.12 2yu1A1 SER 263 HA 0.05 0.16 0.44 -0.75 4.49 4.38 2yu1A1 SER 263 HB2 0.06 0.02 0.06 -0.04 3.95 4.04 2yu1A1 SER 263 HB3 0.07 -0.01 0.13 -0.04 3.93 4.08 2yu1A1 ASP 264 H 0.12 0.06 0.00 -0.55 8.40 8.03 2yu1A1 ASP 264 HA 0.14 0.22 0.99 -0.75 4.63 5.23 2yu1A1 ASP 264 HB2 0.32 -0.05 0.11 -0.04 2.71 3.04 2yu1A1 ASP 264 HB3 0.13 -0.02 -0.03 -0.04 2.70 2.75 2yu1A1 CYS 265 H 0.25 0.26 0.20 -0.55 8.50 8.66 2yu1A1 CYS 265 HA 0.50 0.34 0.92 -0.75 4.58 5.59 2yu1A1 CYS 265 HB2 0.19 0.07 -0.12 -0.04 2.97 3.07 2yu1A1 CYS 265 HB3 0.46 -0.01 0.02 -0.04 2.97 3.40 2yu1A1 GLN 266 H 0.52 0.54 0.27 -0.55 8.47 9.25 2yu1A1 GLN 266 HA 0.24 0.39 1.01 -0.75 4.36 5.25 2yu1A1 GLN 266 HB2 0.07 -0.01 -0.23 -0.04 2.15 1.94 2yu1A1 GLN 266 HB3 0.58 -0.09 0.05 -0.04 2.02 2.53 2yu1A1 GLN 266 HG2 0.17 -0.09 -0.39 -0.04 2.40 2.04 2yu1A1 GLN 266 HG3 0.12 0.25 -0.11 -0.04 2.39 2.61 2yu1A1 GLN 266 HE21 0.12 -0.06 0.04 -0.04 6.97 7.04 2yu1A1 GLN 266 HE22 0.09 0.15 0.01 -0.04 7.69 7.90 2yu1A1 ARG 267 H 0.21 0.51 0.27 -0.55 8.46 8.90 2yu1A1 ARG 267 HA -0.22 0.25 1.08 -0.75 4.34 4.70 2yu1A1 ARG 267 HB2 -0.04 -0.10 0.14 -0.04 1.90 1.86 2yu1A1 ARG 267 HB3 0.01 -0.00 0.20 -0.04 1.80 1.96 2yu1A1 ARG 267 HG2 -0.50 0.01 -0.18 -0.04 1.67 0.96 2yu1A1 ARG 267 HG3 -1.67 -0.03 -0.07 -0.04 1.67 -0.15 2yu1A1 ARG 267 HD2 -0.57 -0.05 -0.02 -0.04 3.22 2.54 2yu1A1 ARG 267 HD3 -0.02 0.13 0.05 -0.04 3.22 3.33 2yu1A1 ILE 268 H -0.10 0.75 0.43 -0.55 8.25 8.78 2yu1A1 ILE 268 HA -0.02 0.23 1.04 -0.75 4.18 4.68 2yu1A1 ILE 268 HB -0.02 0.00 -0.13 -0.04 1.89 1.70 2yu1A1 ILE 268 HG12 -0.19 -0.03 -0.12 -0.04 1.49 1.10 2yu1A1 ILE 268 HG13 -0.09 0.04 -0.10 -0.04 1.21 1.02 2yu1A1 ILE 268 HG23 -0.24 -0.02 -0.21 -0.04 0.93 0.43 2yu1A1 ILE 268 HD13 0.10 0.02 0.05 -0.04 0.88 1.00 2yu1A1 GLU 269 H -0.01 0.21 0.15 -0.55 8.60 8.40 2yu1A1 GLU 269 HA -0.08 0.23 1.09 -0.75 4.29 4.78 2yu1A1 GLU 269 HB2 -0.05 0.05 -0.05 -0.04 2.09 2.00 2yu1A1 GLU 269 HB3 0.00 -0.04 0.12 -0.04 1.99 2.03 2yu1A1 GLU 269 HG2 -0.07 -0.00 -0.32 -0.04 2.34 1.91 2yu1A1 GLU 269 HG3 -0.05 0.03 -0.06 -0.04 2.34 2.21 2yu1A1 LEU 270 H -0.06 0.87 0.34 -0.55 8.37 8.99 2yu1A1 LEU 270 HA -0.00 0.11 0.89 -0.75 4.35 4.59 2yu1A1 LEU 270 HB2 -0.01 -0.06 0.15 -0.04 1.64 1.68 2yu1A1 LEU 270 HB3 -0.03 0.05 -0.05 -0.04 1.64 1.56 2yu1A1 LEU 270 HG -0.24 0.00 -0.22 -0.04 1.64 1.14 2yu1A1 LEU 270 HD13 -0.41 -0.00 -0.19 -0.04 0.93 0.29 2yu1A1 LEU 270 HD23 -0.33 0.03 -0.21 -0.04 0.89 0.35 2yu1A1 LYS 271 H -1.13 0.13 0.12 -0.55 8.42 6.98 2yu1A1 LYS 271 HA -0.27 0.18 0.83 -0.75 4.32 4.31 2yu1A1 LYS 271 HB2 -1.08 0.02 0.05 -0.04 1.87 0.82 2yu1A1 LYS 271 HB3 -0.31 -0.03 0.18 -0.04 1.79 1.59 2yu1A1 LYS 271 HG2 -0.18 0.02 -0.09 -0.04 1.46 1.17 2yu1A1 LYS 271 HG3 -0.30 0.01 -0.10 -0.04 1.46 1.03 2yu1A1 LYS 271 HD2 -0.06 0.00 0.01 -0.04 1.69 1.60 2yu1A1 LYS 271 HD3 -0.09 0.00 0.02 -0.04 1.68 1.57 2yu1A1 LYS 271 HE2 0.02 -0.01 -0.01 -0.04 2.99 2.95 2yu1A1 LYS 271 HE3 -0.03 0.00 -0.04 -0.04 2.99 2.89 2yu1A1 GLN 272 H -0.17 0.10 0.20 -0.55 8.47 8.06 2yu1A1 GLN 272 HA -0.08 0.09 0.36 -0.75 4.36 3.97 2yu1A1 GLN 272 HB2 -0.05 -0.06 0.15 -0.04 2.15 2.14 2yu1A1 GLN 272 HB3 -0.06 -0.08 0.21 -0.04 2.02 2.05 2yu1A1 GLN 272 HG2 0.02 0.00 -0.33 -0.04 2.40 2.05 2yu1A1 GLN 272 HG3 -0.01 0.30 -0.00 -0.04 2.39 2.63 2yu1A1 GLN 272 HE21 -0.03 -0.07 0.08 -0.04 6.97 6.91 2yu1A1 GLN 272 HE22 -0.06 0.25 0.22 -0.04 7.69 8.05 2yu1A1 GLY 273 H -0.05 0.77 0.33 -0.55 8.43 8.93 2yu1A1 GLY 273 HA2 0.13 -0.03 0.39 -0.51 4.01 3.99 2yu1A1 GLY 273 HA3 0.13 0.11 0.80 -0.51 4.01 4.54 2yu1A1 TYR 274 H 0.05 0.31 -0.23 -0.55 8.29 7.87 2yu1A1 TYR 274 HA 0.04 0.33 0.61 -0.75 4.56 4.79 2yu1A1 TYR 274 HB2 -0.03 0.01 0.06 -0.04 3.06 3.06 2yu1A1 TYR 274 HB3 0.00 -0.02 -0.08 -0.04 2.98 2.85 2yu1A1 TYR 274 HD2 -0.02 0.08 -0.06 -0.04 7.15 7.11 2yu1A1 TYR 274 HE2 0.04 0.08 0.04 -0.04 6.85 6.97 2yu1A1 THR 275 H 0.24 0.46 0.32 -0.55 8.28 8.76 2yu1A1 THR 275 HA 0.32 0.32 1.07 -0.75 4.39 5.34 2yu1A1 THR 275 HB 0.31 -0.10 0.14 -0.04 4.32 4.63 2yu1A1 THR 275 HG23 0.36 -0.01 -0.10 -0.04 1.22 1.42 2yu1A1 PHE 276 H 0.38 0.86 0.39 -0.55 8.34 9.41 2yu1A1 PHE 276 HA -0.03 0.32 1.08 -0.75 4.62 5.24 2yu1A1 PHE 276 HB2 0.00 -0.04 -0.13 -0.04 3.15 2.95 2yu1A1 PHE 276 HB3 0.04 -0.08 0.05 -0.04 3.06 3.02 2yu1A1 PHE 276 HD2 -0.39 0.08 -0.07 -0.04 7.28 6.86 2yu1A1 PHE 276 HE2 -0.88 -0.02 -0.24 -0.04 7.38 6.20 2yu1A1 PHE 276 HZ -0.42 -0.02 -0.18 -0.04 7.32 6.66 2yu1A1 VAL 277 H -0.31 0.73 0.32 -0.55 8.24 8.42 2yu1A1 VAL 277 HA -0.18 0.40 1.25 -0.75 4.13 4.85 2yu1A1 VAL 277 HB -0.18 -0.11 0.17 -0.04 2.12 1.95 2yu1A1 VAL 277 HG13 0.05 0.00 -0.22 -0.04 0.97 0.76 2yu1A1 VAL 277 HG23 0.05 -0.01 -0.18 -0.04 0.95 0.76 2yu1A1 ILE 278 H -0.43 0.71 0.31 -0.55 8.25 8.29 2yu1A1 ILE 278 HA -0.73 0.16 0.92 -0.75 4.18 3.77 2yu1A1 ILE 278 HB -0.40 -0.07 0.07 -0.04 1.89 1.44 2yu1A1 ILE 278 HG12 -1.31 0.01 -0.23 -0.04 1.49 -0.08 2yu1A1 ILE 278 HG13 -0.94 -0.01 -0.24 -0.04 1.21 -0.01 2yu1A1 ILE 278 HG23 -0.39 0.05 -0.10 -0.04 0.93 0.44 2yu1A1 ILE 278 HD13 -0.48 -0.00 -0.17 -0.04 0.88 0.19 2yu1A1 PRO 279 HA -0.08 0.04 0.70 -0.51 4.44 4.59 2yu1A1 PRO 279 HB2 0.14 0.14 -0.00 -0.04 2.28 2.52 2yu1A1 PRO 279 HB3 -0.05 0.10 -0.18 -0.04 2.02 1.85 2yu1A1 PRO 279 HG2 -0.44 -0.01 -0.12 -0.04 2.03 1.42 2yu1A1 PRO 279 HG3 -0.26 0.02 -0.70 -0.04 2.03 1.06 2yu1A1 PRO 279 HD2 -1.06 0.03 0.09 -0.04 3.68 2.70 2yu1A1 PRO 279 HD3 -0.51 0.21 -0.31 -0.04 3.65 3.00 2yu1A1 SER 280 H 0.03 0.08 0.11 -0.55 8.46 8.14 2yu1A1 SER 280 HA 0.01 0.18 0.17 -0.75 4.49 4.09 2yu1A1 SER 280 HB2 -0.09 0.02 0.08 -0.04 3.95 3.92 2yu1A1 SER 280 HB3 -0.00 -0.09 0.13 -0.04 3.93 3.93 2yu1A1 GLY 281 H 0.08 0.16 0.08 -0.55 8.43 8.21 2yu1A1 GLY 281 HA2 0.02 -0.04 0.32 -0.51 4.01 3.80 2yu1A1 GLY 281 HA3 -0.01 0.15 0.77 -0.51 4.01 4.41 2yu1A1 TRP 282 H 0.45 0.45 -0.16 -0.55 7.97 8.16 2yu1A1 TRP 282 HA -0.08 0.05 0.46 -0.75 4.62 4.30 2yu1A1 TRP 282 HB2 -0.05 0.02 0.05 -0.04 3.23 3.21 2yu1A1 TRP 282 HB3 -0.01 -0.04 -0.08 -0.04 3.23 3.07 2yu1A1 TRP 282 HD1 -0.08 0.27 -0.22 -0.04 7.22 7.15 2yu1A1 TRP 282 HE1 -0.08 0.14 -0.05 -0.04 10.20 10.17 2yu1A1 TRP 282 HE3 -0.13 -0.04 -0.29 -0.04 7.59 7.09 2yu1A1 TRP 282 HZ2 -0.10 0.13 0.06 -0.04 7.44 7.49 2yu1A1 TRP 282 HZ3 -0.82 -0.04 -0.29 -0.04 7.13 5.94 2yu1A1 TRP 282 HH2 -0.53 -0.02 -0.05 -0.04 7.19 6.55 2yu1A1 ILE 283 H -0.08 0.47 0.27 -0.55 8.25 8.36 2yu1A1 ILE 283 HA -0.24 0.24 0.70 -0.75 4.18 4.12 2yu1A1 ILE 283 HB -0.21 -0.08 0.09 -0.04 1.89 1.65 2yu1A1 ILE 283 HG12 -0.86 -0.05 -0.14 -0.04 1.49 0.40 2yu1A1 ILE 283 HG13 -0.44 0.13 -0.19 -0.04 1.21 0.68 2yu1A1 ILE 283 HG23 -0.26 -0.02 -0.23 -0.04 0.93 0.38 2yu1A1 ILE 283 HD13 -0.29 -0.01 -0.23 -0.04 0.88 0.32 2yu1A1 HIS 284 H -0.64 0.63 0.36 -0.55 8.41 8.22 2yu1A1 HIS 284 HA 0.19 0.34 1.01 -0.75 4.63 5.41 2yu1A1 HIS 284 HB2 0.32 -0.02 0.03 -0.04 3.26 3.55 2yu1A1 HIS 284 HB3 0.23 -0.06 -0.15 -0.04 3.20 3.18 2yu1A1 HIS 284 HD2 0.26 -0.03 -0.32 -0.04 6.97 6.84 2yu1A1 HIS 284 HE1 0.01 -0.15 -0.01 -0.04 7.75 7.56 2yu1A1 ALA 285 H -0.01 0.36 0.36 -0.55 8.40 8.57 2yu1A1 ALA 285 HA -0.36 0.34 0.66 -0.75 4.34 4.23 2yu1A1 ALA 285 HB3 -1.10 -0.04 0.00 -0.04 1.41 0.23 2yu1A1 VAL 286 H -0.21 0.73 0.30 -0.55 8.24 8.50 2yu1A1 VAL 286 HA -0.12 0.40 1.19 -0.75 4.13 4.84 2yu1A1 VAL 286 HB -0.17 -0.08 -0.04 -0.04 2.12 1.78 2yu1A1 VAL 286 HG13 -0.78 0.00 -0.12 -0.04 0.97 0.03 2yu1A1 VAL 286 HG23 -0.13 0.02 -0.33 -0.04 0.95 0.47 2yu1A1 TYR 287 H 0.00 0.52 0.32 -0.55 8.29 8.59 2yu1A1 TYR 287 HA 0.20 0.28 0.95 -0.75 4.56 5.23 2yu1A1 TYR 287 HB2 0.70 0.01 -0.18 -0.04 3.06 3.55 2yu1A1 TYR 287 HB3 0.28 0.01 0.01 -0.04 2.98 3.24 2yu1A1 TYR 287 HD2 0.13 -0.01 -0.22 -0.04 7.15 7.01 2yu1A1 TYR 287 HE2 0.06 0.01 -0.15 -0.04 6.85 6.73 2yu1A1 THR 288 H -0.36 0.71 0.17 -0.55 8.28 8.25 2yu1A1 THR 288 HA -0.24 0.20 0.91 -0.75 4.39 4.51 2yu1A1 THR 288 HB -0.16 0.08 0.10 -0.04 4.32 4.29 2yu1A1 THR 288 HG23 -0.07 0.04 -0.13 -0.04 1.22 1.01 2yu1A1 PRO 289 HA -0.12 0.05 0.43 -0.51 4.44 4.29 2yu1A1 PRO 289 HB2 0.05 0.01 -0.07 -0.04 2.28 2.23 2yu1A1 PRO 289 HB3 0.20 0.04 -0.00 -0.04 2.02 2.22 2yu1A1 PRO 289 HG2 -0.05 -0.01 -0.07 -0.04 2.03 1.86 2yu1A1 PRO 289 HG3 -0.01 0.02 -0.16 -0.04 2.03 1.84 2yu1A1 PRO 289 HD2 -0.14 0.37 0.27 -0.04 3.68 4.14 2yu1A1 PRO 289 HD3 -0.06 0.17 0.09 -0.04 3.65 3.81 2yu1A1 THR 290 H -0.10 0.31 -0.18 -0.55 8.28 7.76 2yu1A1 THR 290 HA -0.06 0.11 0.68 -0.75 4.39 4.37 2yu1A1 THR 290 HB -0.04 -0.03 0.10 -0.04 4.32 4.30 2yu1A1 THR 290 HG23 -0.02 -0.00 -0.23 -0.04 1.22 0.93 2yu1A1 ASP 291 H -0.07 0.11 0.16 -0.55 8.40 8.05 2yu1A1 ASP 291 HA 0.03 0.19 0.64 -0.75 4.63 4.73 2yu1A1 ASP 291 HB2 -0.11 -0.04 0.21 -0.04 2.71 2.73 2yu1A1 ASP 291 HB3 -0.16 0.06 0.08 -0.04 2.70 2.63 2yu1A1 THR 292 H 0.12 0.59 0.45 -0.55 8.28 8.89 2yu1A1 THR 292 HA 0.05 0.31 1.07 -0.75 4.39 5.07 2yu1A1 THR 292 HB -0.02 0.01 0.06 -0.04 4.32 4.33 2yu1A1 THR 292 HG23 -0.04 0.31 0.05 -0.04 1.22 1.50 2yu1A1 LEU 293 H 0.01 0.61 0.35 -0.55 8.37 8.80 2yu1A1 LEU 293 HA -0.12 0.20 0.98 -0.75 4.35 4.66 2yu1A1 LEU 293 HB2 -0.01 -0.05 -0.04 -0.04 1.64 1.50 2yu1A1 LEU 293 HB3 0.03 -0.03 0.20 -0.04 1.64 1.79 2yu1A1 LEU 293 HG 0.09 -0.06 -0.20 -0.04 1.64 1.43 2yu1A1 LEU 293 HD13 -0.22 0.01 -0.27 -0.04 0.93 0.42 2yu1A1 LEU 293 HD23 -0.23 0.03 -0.08 -0.04 0.89 0.57 2yu1A1 VAL 294 H -0.22 0.83 0.31 -0.55 8.24 8.60 2yu1A1 VAL 294 HA -0.07 0.14 1.16 -0.75 4.13 4.61 2yu1A1 VAL 294 HB -0.16 -0.04 -0.02 -0.04 2.12 1.85 2yu1A1 VAL 294 HG13 -0.04 0.02 -0.33 -0.04 0.97 0.57 2yu1A1 VAL 294 HG23 -0.08 -0.02 -0.31 -0.04 0.95 0.50 2yu1A1 PHE 295 H 0.15 0.48 0.33 -0.55 8.34 8.74 2yu1A1 PHE 295 HA 0.06 0.31 1.13 -0.75 4.62 5.36 2yu1A1 PHE 295 HB2 0.09 -0.01 0.18 -0.04 3.15 3.37 2yu1A1 PHE 295 HB3 0.16 0.04 0.05 -0.04 3.06 3.27 2yu1A1 PHE 295 HD2 -0.16 0.07 0.01 -0.04 7.28 7.15 2yu1A1 PHE 295 HE2 -0.51 -0.02 -0.11 -0.04 7.38 6.70 2yu1A1 PHE 295 HZ -0.44 -0.05 -0.15 -0.04 7.32 6.64 2yu1A1 GLY 296 H 0.10 0.74 0.33 -0.55 8.43 9.05 2yu1A1 GLY 296 HA2 -2.06 0.05 0.57 -0.51 4.01 2.06 2yu1A1 GLY 296 HA3 -0.55 0.12 0.55 -0.51 4.01 3.62 2yu1A1 GLY 297 H -0.77 0.47 0.38 -0.55 8.43 7.96 2yu1A1 GLY 297 HA2 0.34 0.01 0.44 -0.51 4.01 4.29 2yu1A1 GLY 297 HA3 0.36 0.22 0.52 -0.51 4.01 4.61 2yu1A1 ASN 298 H 0.47 0.36 0.21 -0.55 8.53 9.03 2yu1A1 ASN 298 HA 0.13 0.33 1.18 -0.75 4.76 5.65 2yu1A1 ASN 298 HB2 0.45 0.07 0.15 -0.04 2.88 3.51 2yu1A1 ASN 298 HB3 0.21 0.02 -0.01 -0.04 2.79 2.97 2yu1A1 ASN 298 HD21 0.11 -0.06 -0.17 -0.04 7.03 6.87 2yu1A1 ASN 298 HD22 0.19 0.05 -0.19 -0.04 7.74 7.75 2yu1A1 PHE 299 H -0.28 0.48 0.28 -0.55 8.34 8.26 2yu1A1 PHE 299 HA 0.18 0.20 1.00 -0.75 4.62 5.25 2yu1A1 PHE 299 HB2 0.14 -0.07 0.13 -0.04 3.15 3.30 2yu1A1 PHE 299 HB3 0.20 0.05 -0.14 -0.04 3.06 3.13 2yu1A1 PHE 299 HD2 0.19 0.06 -0.36 -0.04 7.28 7.13 2yu1A1 PHE 299 HE2 0.06 -0.03 -0.24 -0.04 7.38 7.13 2yu1A1 PHE 299 HZ 0.05 0.00 -0.17 -0.04 7.32 7.16 2yu1A1 LEU 300 H 0.22 0.09 0.29 -0.55 8.37 8.42 2yu1A1 LEU 300 HA -0.38 0.20 0.90 -0.75 4.35 4.31 2yu1A1 LEU 300 HB2 -0.14 -0.11 0.13 -0.04 1.64 1.48 2yu1A1 LEU 300 HB3 -1.29 0.08 0.06 -0.04 1.64 0.45 2yu1A1 LEU 300 HG -0.42 -0.04 -0.19 -0.04 1.64 0.95 2yu1A1 LEU 300 HD13 -0.46 -0.00 -0.04 -0.04 0.93 0.39 2yu1A1 LEU 300 HD23 -0.42 0.05 -0.05 -0.04 0.89 0.42 2yu1A1 HIS 301 H -0.78 0.24 0.17 -0.55 8.41 7.49 2yu1A1 HIS 301 HA -0.11 0.47 0.79 -0.75 4.63 5.03 2yu1A1 HIS 301 HB2 0.33 -0.08 0.14 -0.04 3.26 3.62 2yu1A1 HIS 301 HB3 0.26 0.08 -0.22 -0.04 3.20 3.27 2yu1A1 HIS 301 HD2 -0.03 0.02 -0.16 -0.04 6.97 6.76 2yu1A1 HIS 301 HE1 0.01 0.24 -0.34 -0.04 7.75 7.62 2yu1A1 SER 302 H 0.48 0.24 0.12 -0.55 8.46 8.75 2yu1A1 SER 302 HA 0.25 0.21 0.78 -0.75 4.49 4.98 2yu1A1 SER 302 HB2 -0.03 0.01 0.05 -0.04 3.95 3.94 2yu1A1 SER 302 HB3 0.17 0.01 0.13 -0.04 3.93 4.20 2yu1A1 PHE 303 H 0.55 0.09 -0.26 -0.55 8.34 8.18 2yu1A1 PHE 303 HA 0.09 0.17 0.69 -0.75 4.62 4.81 2yu1A1 PHE 303 HB2 0.18 0.04 -0.11 -0.04 3.15 3.22 2yu1A1 PHE 303 HB3 -0.21 0.05 0.08 -0.04 3.06 2.95 2yu1A1 PHE 303 HD2 0.24 -0.01 -0.05 -0.04 7.28 7.41 2yu1A1 PHE 303 HE2 0.14 0.05 -0.04 -0.04 7.38 7.49 2yu1A1 PHE 303 HZ 0.10 0.04 -0.05 -0.04 7.32 7.36 2yu1A1 ASN 304 H -0.33 0.13 -0.36 -0.55 8.53 7.42 2yu1A1 ASN 304 HA -0.03 0.17 0.61 -0.75 4.76 4.76 2yu1A1 ASN 304 HB2 0.10 0.12 -0.25 -0.04 2.88 2.81 2yu1A1 ASN 304 HB3 -0.18 -0.03 0.14 -0.04 2.79 2.68 2yu1A1 ASN 304 HD21 0.06 0.02 0.03 -0.04 7.03 7.10 2yu1A1 ASN 304 HD22 0.08 0.09 0.03 -0.04 7.74 7.89 2yu1A1 ILE 305 H -0.09 0.24 -0.09 -0.55 8.25 7.75 2yu1A1 ILE 305 HA -0.19 0.13 0.52 -0.75 4.18 3.88 2yu1A1 ILE 305 HB -0.02 -0.01 0.15 -0.04 1.89 1.97 2yu1A1 ILE 305 HG12 0.26 0.05 0.03 -0.04 1.49 1.79 2yu1A1 ILE 305 HG13 -0.03 -0.13 -0.02 -0.04 1.21 0.98 2yu1A1 ILE 305 HG23 0.05 0.01 -0.11 -0.04 0.93 0.85 2yu1A1 ILE 305 HD13 0.10 0.01 -0.04 -0.04 0.88 0.91 2yu1A1 PRO 306 HA 0.01 0.07 0.40 -0.51 4.44 4.40 2yu1A1 PRO 306 HB2 0.02 0.07 -0.05 -0.04 2.28 2.27 2yu1A1 PRO 306 HB3 0.01 0.07 0.04 -0.04 2.02 2.10 2yu1A1 PRO 306 HG2 0.02 0.04 -0.02 -0.04 2.03 2.03 2yu1A1 PRO 306 HG3 0.03 0.09 -0.04 -0.04 2.03 2.07 2yu1A1 PRO 306 HD2 -0.02 -0.05 0.05 -0.04 3.68 3.61 2yu1A1 PRO 306 HD3 -0.01 0.14 0.05 -0.04 3.65 3.79 2yu1A1 MET 307 H -0.02 0.19 -0.37 -0.55 8.47 7.71 2yu1A1 MET 307 HA 0.00 0.06 0.47 -0.75 4.52 4.30 2yu1A1 MET 307 HB2 -0.00 -0.01 0.04 -0.04 2.15 2.14 2yu1A1 MET 307 HB3 -0.03 0.12 0.01 -0.04 2.03 2.09 2yu1A1 MET 307 HG2 0.00 0.37 -0.26 -0.04 2.63 2.70 2yu1A1 MET 307 HG3 -0.00 -0.09 -0.25 -0.04 2.56 2.18 2yu1A1 MET 307 HE3 -0.03 0.04 0.02 -0.04 2.10 2.09 2yu1A1 GLN 308 H -0.08 0.30 -0.17 -0.55 8.47 7.98 2yu1A1 GLN 308 HA -0.04 0.10 0.46 -0.75 4.36 4.13 2yu1A1 GLN 308 HB2 -0.16 0.03 0.29 -0.04 2.15 2.28 2yu1A1 GLN 308 HB3 -0.08 -0.02 0.06 -0.04 2.02 1.94 2yu1A1 GLN 308 HG2 -0.26 0.26 0.11 -0.04 2.40 2.47 2yu1A1 GLN 308 HG3 -0.24 0.03 0.17 -0.04 2.39 2.30 2yu1A1 GLN 308 HE21 -1.13 0.15 0.06 -0.04 6.97 6.01 2yu1A1 GLN 308 HE22 -0.43 0.00 0.11 -0.04 7.69 7.33 2yu1A1 LEU 309 H 0.03 0.52 -0.18 -0.55 8.37 8.20 2yu1A1 LEU 309 HA 0.18 0.02 0.46 -0.75 4.35 4.26 2yu1A1 LEU 309 HB2 0.06 0.09 0.04 -0.04 1.64 1.79 2yu1A1 LEU 309 HB3 0.12 -0.03 -0.03 -0.04 1.64 1.67 2yu1A1 LEU 309 HG 0.07 0.10 -0.04 -0.04 1.64 1.72 2yu1A1 LEU 309 HD13 0.03 -0.01 -0.21 -0.04 0.93 0.71 2yu1A1 LEU 309 HD23 0.19 -0.00 -0.08 -0.04 0.89 0.96 2yu1A1 LYS 310 H 0.04 0.44 -0.22 -0.55 8.42 8.13 2yu1A1 LYS 310 HA 0.05 -0.01 0.37 -0.75 4.32 3.98 2yu1A1 LYS 310 HB2 0.02 0.19 0.32 -0.04 1.87 2.35 2yu1A1 LYS 310 HB3 0.02 0.06 0.09 -0.04 1.79 1.92 2yu1A1 LYS 310 HG2 0.02 -0.02 -0.02 -0.04 1.46 1.40 2yu1A1 LYS 310 HG3 0.02 -0.03 0.04 -0.04 1.46 1.45 2yu1A1 LYS 310 HD2 0.01 -0.01 -0.10 -0.04 1.69 1.55 2yu1A1 LYS 310 HD3 -0.00 0.03 -0.02 -0.04 1.68 1.64 2yu1A1 LYS 310 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.93 2yu1A1 LYS 310 HE3 0.01 -0.03 -0.03 -0.04 2.99 2.90 2yu1A1 ILE 311 H 0.05 0.65 -0.28 -0.55 8.25 8.12 2yu1A1 ILE 311 HA 0.06 0.06 0.44 -0.75 4.18 3.99 2yu1A1 ILE 311 HB 0.04 0.16 0.02 -0.04 1.89 2.07 2yu1A1 ILE 311 HG12 0.08 -0.01 -0.01 -0.04 1.49 1.51 2yu1A1 ILE 311 HG13 0.04 0.03 -0.01 -0.04 1.21 1.23 2yu1A1 ILE 311 HG23 0.08 -0.02 -0.13 -0.04 0.93 0.82 2yu1A1 ILE 311 HD13 0.04 0.00 0.01 -0.04 0.88 0.90 2yu1A1 TYR 312 H 0.12 0.40 -0.25 -0.55 8.29 8.01 2yu1A1 TYR 312 HA -0.18 -0.04 0.47 -0.75 4.56 4.05 2yu1A1 TYR 312 HB2 -0.24 0.17 0.17 -0.04 3.06 3.12 2yu1A1 TYR 312 HB3 -0.05 0.07 0.06 -0.04 2.98 3.02 2yu1A1 TYR 312 HD2 -0.47 0.00 -0.01 -0.04 7.15 6.63 2yu1A1 TYR 312 HE2 -0.39 -0.02 0.02 -0.04 6.85 6.43 2yu1A1 ASN 313 H 0.12 0.62 -0.21 -0.55 8.53 8.51 2yu1A1 ASN 313 HA 0.05 0.01 0.37 -0.75 4.76 4.45 2yu1A1 ASN 313 HB2 0.05 0.17 0.05 -0.04 2.88 3.11 2yu1A1 ASN 313 HB3 0.05 -0.05 0.06 -0.04 2.79 2.81 2yu1A1 ASN 313 HD21 0.10 -0.08 -0.10 -0.04 7.03 6.90 2yu1A1 ASN 313 HD22 0.07 -0.02 -0.06 -0.04 7.74 7.68 2yu1A1 ILE 314 H 0.01 0.29 -0.49 -0.55 8.25 7.51 2yu1A1 ILE 314 HA -0.03 0.07 0.57 -0.75 4.18 4.04 2yu1A1 ILE 314 HB 0.03 0.13 0.16 -0.04 1.89 2.16 2yu1A1 ILE 314 HG12 0.01 -0.04 0.01 -0.04 1.49 1.43 2yu1A1 ILE 314 HG13 0.03 0.27 0.06 -0.04 1.21 1.53 2yu1A1 ILE 314 HG23 -0.07 -0.01 -0.14 -0.04 0.93 0.67 2yu1A1 ILE 314 HD13 0.10 -0.02 -0.04 -0.04 0.88 0.87 2yu1A1 GLU 315 H -0.08 0.50 -0.06 -0.55 8.60 8.42 2yu1A1 GLU 315 HA -0.09 0.03 0.37 -0.75 4.29 3.85 2yu1A1 GLU 315 HB2 -0.32 0.21 0.26 -0.04 2.09 2.20 2yu1A1 GLU 315 HB3 -0.23 -0.05 0.02 -0.04 1.99 1.68 2yu1A1 GLU 315 HG2 -0.04 -0.00 0.04 -0.04 2.34 2.30 2yu1A1 GLU 315 HG3 -0.03 0.06 0.07 -0.04 2.34 2.40 2yu1A1 ASP 316 H -0.13 0.40 -0.28 -0.55 8.40 7.83 2yu1A1 ASP 316 HA -0.10 0.03 0.43 -0.75 4.63 4.24 2yu1A1 ASP 316 HB2 -0.02 0.07 0.14 -0.04 2.71 2.86 2yu1A1 ASP 316 HB3 -0.00 -0.01 -0.04 -0.04 2.70 2.60 2yu1A1 ARG 317 H -0.04 0.42 -0.19 -0.55 8.46 8.09 2yu1A1 ARG 317 HA -0.03 0.05 0.54 -0.75 4.34 4.16 2yu1A1 ARG 317 HB2 -0.04 0.07 0.11 -0.04 1.90 2.00 2yu1A1 ARG 317 HB3 -0.03 -0.06 0.08 -0.04 1.80 1.75 2yu1A1 ARG 317 HG2 -0.01 -0.07 0.04 -0.04 1.67 1.59 2yu1A1 ARG 317 HG3 -0.01 0.36 0.17 -0.04 1.67 2.15 2yu1A1 ARG 317 HD2 -0.02 -0.02 0.01 -0.04 3.22 3.16 2yu1A1 ARG 317 HD3 -0.00 -0.05 0.02 -0.04 3.22 3.14 2yu1A1 THR 318 H -0.08 0.44 -0.30 -0.55 8.28 7.79 2yu1A1 THR 318 HA -0.09 0.09 0.58 -0.75 4.39 4.22 2yu1A1 THR 318 HB -0.10 -0.02 0.02 -0.04 4.32 4.18 2yu1A1 THR 318 HG23 -0.15 -0.02 0.01 -0.04 1.22 1.02 2yu1A1 ARG 319 H -0.06 0.17 -0.75 -0.55 8.46 7.27 2yu1A1 ARG 319 HA -0.05 0.05 0.28 -0.75 4.34 3.86 2yu1A1 ARG 319 HB2 -0.06 0.09 -0.25 -0.04 1.90 1.64 2yu1A1 ARG 319 HB3 -0.04 -0.10 0.14 -0.04 1.80 1.76 2yu1A1 ARG 319 HG2 -0.03 -0.09 0.00 -0.04 1.67 1.52 2yu1A1 ARG 319 HG3 -0.03 0.13 -0.02 -0.04 1.67 1.71 2yu1A1 ARG 319 HD2 -0.04 0.11 -0.15 -0.04 3.22 3.10 2yu1A1 ARG 319 HD3 -0.04 -0.06 -0.05 -0.04 3.22 3.04 2yu1A1 VAL 320 H -0.08 0.46 -0.06 -0.55 8.24 8.01 2yu1A1 VAL 320 HA -0.09 0.15 0.54 -0.75 4.13 3.97 2yu1A1 VAL 320 HB -0.08 -0.06 0.01 -0.04 2.12 1.95 2yu1A1 VAL 320 HG13 -0.01 0.01 -0.17 -0.04 0.97 0.76 2yu1A1 VAL 320 HG23 -0.08 0.01 -0.02 -0.04 0.95 0.82 2yu1A1 PRO 321 HA 0.03 0.05 0.45 -0.51 4.44 4.46 2yu1A1 PRO 321 HB2 0.18 -0.13 0.06 -0.04 2.28 2.35 2yu1A1 PRO 321 HB3 0.04 0.11 0.14 -0.04 2.02 2.27 2yu1A1 PRO 321 HG2 0.19 -0.13 0.16 -0.04 2.03 2.20 2yu1A1 PRO 321 HG3 -0.14 0.08 0.11 -0.04 2.03 2.04 2yu1A1 PRO 321 HD2 -0.13 0.08 0.24 -0.04 3.68 3.83 2yu1A1 PRO 321 HD3 -0.09 0.27 0.26 -0.04 3.65 4.04 2yu1A1 ASN 322 H 0.04 0.18 0.16 -0.55 8.53 8.36 2yu1A1 ASN 322 HA 0.03 0.08 0.25 -0.75 4.76 4.37 2yu1A1 ASN 322 HB2 0.02 -0.01 0.02 -0.04 2.88 2.87 2yu1A1 ASN 322 HB3 0.02 0.01 0.12 -0.04 2.79 2.90 2yu1A1 ASN 322 HD21 0.02 0.03 0.03 -0.04 7.03 7.08 2yu1A1 ASN 322 HD22 0.02 -0.02 0.04 -0.04 7.74 7.74 2yu1A1 LYS 323 H 0.11 -0.04 -0.93 -0.55 8.42 7.01 2yu1A1 LYS 323 HA -0.10 0.10 0.48 -0.75 4.32 4.04 2yu1A1 LYS 323 HB2 -0.26 0.01 0.03 -0.04 1.87 1.61 2yu1A1 LYS 323 HB3 -0.31 0.02 0.03 -0.04 1.79 1.48 2yu1A1 LYS 323 HG2 -0.01 0.02 -0.02 -0.04 1.46 1.41 2yu1A1 LYS 323 HG3 0.11 -0.11 -0.05 -0.04 1.46 1.37 2yu1A1 LYS 323 HD2 0.48 0.02 0.01 -0.04 1.69 2.16 2yu1A1 LYS 323 HD3 0.03 0.01 -0.01 -0.04 1.68 1.67 2yu1A1 LYS 323 HE2 0.04 0.00 -0.01 -0.04 2.99 2.99 2yu1A1 LYS 323 HE3 0.09 -0.01 0.01 -0.04 2.99 3.04 2yu1A1 PHE 324 H 0.45 0.30 -0.00 -0.55 8.34 8.55 2yu1A1 PHE 324 HA -0.06 0.15 0.52 -0.75 4.62 4.48 2yu1A1 PHE 324 HB2 -0.04 0.06 0.06 -0.04 3.15 3.19 2yu1A1 PHE 324 HB3 -0.08 -0.04 0.15 -0.04 3.06 3.05 2yu1A1 PHE 324 HD2 -0.09 0.02 0.05 -0.04 7.28 7.22 2yu1A1 PHE 324 HE2 -0.07 -0.03 -0.01 -0.04 7.38 7.22 2yu1A1 PHE 324 HZ -0.07 -0.04 -0.02 -0.04 7.32 7.16 2yu1A1 ARG 325 H 0.08 0.23 -0.80 -0.55 8.46 7.42 2yu1A1 ARG 325 HA 0.18 0.04 0.61 -0.75 4.34 4.41 2yu1A1 ARG 325 HB2 0.06 0.12 -0.09 -0.04 1.90 1.96 2yu1A1 ARG 325 HB3 0.09 -0.03 -0.07 -0.04 1.80 1.75 2yu1A1 ARG 325 HG2 0.04 0.08 -0.38 -0.04 1.67 1.38 2yu1A1 ARG 325 HG3 -0.01 -0.03 -0.14 -0.04 1.67 1.45 2yu1A1 ARG 325 HD2 -0.20 -0.09 -0.02 -0.04 3.22 2.87 2yu1A1 ARG 325 HD3 -0.05 0.01 -0.20 -0.04 3.22 2.93 2yu1A1 TYR 326 H 0.32 0.01 0.07 -0.55 8.29 8.14 2yu1A1 TYR 326 HA 0.21 0.14 0.32 -0.75 4.56 4.48 2yu1A1 TYR 326 HB2 -0.17 -0.05 -0.05 -0.04 3.06 2.74 2yu1A1 TYR 326 HB3 0.17 -0.11 0.05 -0.04 2.98 3.05 2yu1A1 TYR 326 HD2 -0.43 -0.03 -0.34 -0.04 7.15 6.31 2yu1A1 TYR 326 HE2 -0.01 0.05 -0.11 -0.04 6.85 6.74 2yu1A1 PRO 327 HA -0.15 -0.00 0.46 -0.51 4.44 4.24 2yu1A1 PRO 327 HB2 -0.22 -0.01 -0.06 -0.04 2.28 1.95 2yu1A1 PRO 327 HB3 -0.21 0.12 0.09 -0.04 2.02 1.97 2yu1A1 PRO 327 HG2 -0.31 -0.08 0.06 -0.04 2.03 1.66 2yu1A1 PRO 327 HG3 -0.16 0.06 0.01 -0.04 2.03 1.90 2yu1A1 PRO 327 HD2 -0.51 0.02 0.16 -0.04 3.68 3.31 2yu1A1 PRO 327 HD3 -0.02 0.34 0.20 -0.04 3.65 4.13 2yu1A1 PHE 328 H -0.21 0.15 0.16 -0.55 8.34 7.89 2yu1A1 PHE 328 HA 0.26 -0.01 0.32 -0.75 4.62 4.44 2yu1A1 PHE 328 HB2 -0.01 0.23 0.07 -0.04 3.15 3.41 2yu1A1 PHE 328 HB3 0.46 -0.09 0.13 -0.04 3.06 3.51 2yu1A1 PHE 328 HD2 0.05 0.03 -0.24 -0.04 7.28 7.07 2yu1A1 PHE 328 HE2 0.03 0.03 -0.19 -0.04 7.38 7.21 2yu1A1 PHE 328 HZ 0.07 0.32 -0.01 -0.04 7.32 7.66 2yu1A1 TYR 329 H 0.35 0.25 -0.10 -0.55 8.29 8.25 2yu1A1 TYR 329 HA 0.15 0.12 0.25 -0.75 4.56 4.33 2yu1A1 TYR 329 HB2 -0.02 0.19 0.09 -0.04 3.06 3.28 2yu1A1 TYR 329 HB3 -0.64 -0.10 0.11 -0.04 2.98 2.32 2yu1A1 TYR 329 HD2 -0.99 0.01 -0.08 -0.04 7.15 6.05 2yu1A1 TYR 329 HE2 -0.47 0.05 -0.03 -0.04 6.85 6.37 2yu1A1 TYR 330 H 0.14 0.13 -0.04 -0.55 8.29 7.98 2yu1A1 TYR 330 HA -0.03 0.05 0.44 -0.75 4.56 4.27 2yu1A1 TYR 330 HB2 0.24 -0.03 -0.01 -0.04 3.06 3.21 2yu1A1 TYR 330 HB3 0.23 0.17 -0.10 -0.04 2.98 3.24 2yu1A1 TYR 330 HD2 0.07 -0.01 -0.05 -0.04 7.15 7.12 2yu1A1 TYR 330 HE2 0.15 0.01 -0.06 -0.04 6.85 6.90 2yu1A1 GLU 331 H 0.46 -0.00 -0.38 -0.55 8.60 8.13 2yu1A1 GLU 331 HA 0.37 0.26 0.48 -0.75 4.29 4.64 2yu1A1 GLU 331 HB2 0.78 0.07 0.04 -0.04 2.09 2.94 2yu1A1 GLU 331 HB3 0.41 -0.08 0.05 -0.04 1.99 2.33 2yu1A1 GLU 331 HG2 0.53 -0.02 -0.04 -0.04 2.34 2.77 2yu1A1 GLU 331 HG3 0.31 0.26 -0.12 -0.04 2.34 2.75 2yu1A1 MET 332 H 0.48 0.48 -0.29 -0.55 8.47 8.59 2yu1A1 MET 332 HA 0.72 0.01 0.40 -0.75 4.52 4.90 2yu1A1 MET 332 HB2 0.49 0.10 0.12 -0.04 2.15 2.82 2yu1A1 MET 332 HB3 0.19 0.29 0.23 -0.04 2.03 2.69 2yu1A1 MET 332 HG2 0.49 -0.03 -0.07 -0.04 2.63 2.97 2yu1A1 MET 332 HG3 0.03 -0.08 -0.26 -0.04 2.56 2.22 2yu1A1 MET 332 HE3 0.48 -0.03 -0.28 -0.04 2.10 2.23 2yu1A1 CYS 333 H 0.02 0.44 -0.06 -0.55 8.50 8.36 2yu1A1 CYS 333 HA -0.37 -0.03 0.34 -0.75 4.58 3.77 2yu1A1 CYS 333 HB2 -0.16 0.21 0.16 -0.04 2.97 3.13 2yu1A1 CYS 333 HB3 -0.28 -0.04 0.02 -0.04 2.97 2.62 2yu1A1 TRP 334 H 0.09 0.51 -0.30 -0.55 7.97 7.73 2yu1A1 TRP 334 HA -0.15 -0.01 0.40 -0.75 4.62 4.10 2yu1A1 TRP 334 HB2 -0.30 0.20 0.19 -0.04 3.23 3.27 2yu1A1 TRP 334 HB3 -0.32 -0.11 0.01 -0.04 3.23 2.78 2yu1A1 TRP 334 HD1 -0.02 0.20 -0.05 -0.04 7.22 7.30 2yu1A1 TRP 334 HE1 -0.07 0.48 -0.03 -0.04 10.20 10.53 2yu1A1 TRP 334 HE3 -0.17 -0.06 0.04 -0.04 7.59 7.37 2yu1A1 TRP 334 HZ2 -0.11 0.09 0.01 -0.04 7.44 7.40 2yu1A1 TRP 334 HZ3 -0.13 0.01 0.05 -0.04 7.13 7.02 2yu1A1 TRP 334 HH2 -0.10 -0.02 -0.06 -0.04 7.19 6.97 2yu1A1 TYR 335 H 0.07 0.44 -0.22 -0.55 8.29 8.04 2yu1A1 TYR 335 HA -0.06 -0.03 0.49 -0.75 4.56 4.20 2yu1A1 TYR 335 HB2 -0.05 0.13 0.14 -0.04 3.06 3.24 2yu1A1 TYR 335 HB3 -0.11 0.20 -0.06 -0.04 2.98 2.97 2yu1A1 TYR 335 HD2 -0.24 0.03 -0.01 -0.04 7.15 6.89 2yu1A1 TYR 335 HE2 -0.87 -0.06 -0.01 -0.04 6.85 5.87 2yu1A1 VAL 336 H -0.17 0.54 -0.12 -0.55 8.24 7.94 2yu1A1 VAL 336 HA -0.24 0.05 0.30 -0.75 4.13 3.48 2yu1A1 VAL 336 HB -0.53 0.17 0.14 -0.04 2.12 1.86 2yu1A1 VAL 336 HG13 -0.25 -0.03 -0.17 -0.04 0.97 0.47 2yu1A1 VAL 336 HG23 -1.85 0.04 -0.08 -0.04 0.95 -0.99 2yu1A1 LEU 337 H -0.14 0.52 -0.19 -0.55 8.37 8.02 2yu1A1 LEU 337 HA -0.01 -0.01 0.42 -0.75 4.35 4.00 2yu1A1 LEU 337 HB2 -0.05 0.12 0.11 -0.04 1.64 1.77 2yu1A1 LEU 337 HB3 -0.06 -0.05 -0.04 -0.04 1.64 1.44 2yu1A1 LEU 337 HG -0.26 0.20 0.03 -0.04 1.64 1.57 2yu1A1 LEU 337 HD13 -0.39 -0.01 -0.11 -0.04 0.93 0.38 2yu1A1 LEU 337 HD23 -0.18 -0.03 -0.04 -0.04 0.89 0.60 2yu1A1 GLU 338 H 0.04 0.53 -0.12 -0.55 8.60 8.51 2yu1A1 GLU 338 HA 0.12 -0.04 0.32 -0.75 4.29 3.93 2yu1A1 GLU 338 HB2 0.04 0.08 0.11 -0.04 2.09 2.29 2yu1A1 GLU 338 HB3 0.08 0.16 0.11 -0.04 1.99 2.30 2yu1A1 GLU 338 HG2 0.15 -0.06 0.03 -0.04 2.34 2.42 2yu1A1 GLU 338 HG3 0.02 0.00 -0.17 -0.04 2.34 2.16 2yu1A1 ARG 339 H 0.05 0.61 -0.33 -0.55 8.46 8.24 2yu1A1 ARG 339 HA 0.08 0.02 0.41 -0.75 4.34 4.10 2yu1A1 ARG 339 HB2 -0.04 0.06 0.13 -0.04 1.90 2.00 2yu1A1 ARG 339 HB3 -0.06 -0.03 -0.02 -0.04 1.80 1.65 2yu1A1 ARG 339 HG2 0.03 0.13 0.04 -0.04 1.67 1.83 2yu1A1 ARG 339 HG3 -0.03 -0.03 0.02 -0.04 1.67 1.59 2yu1A1 ARG 339 HD2 0.03 -0.16 -0.03 -0.04 3.22 3.02 2yu1A1 ARG 339 HD3 -0.01 0.10 -0.03 -0.04 3.22 3.25 2yu1A1 TYR 340 H 0.15 0.57 -0.04 -0.55 8.29 8.42 2yu1A1 TYR 340 HA -0.02 0.00 0.38 -0.75 4.56 4.17 2yu1A1 TYR 340 HB2 -0.05 0.13 0.24 -0.04 3.06 3.34 2yu1A1 TYR 340 HB3 -0.03 -0.04 -0.04 -0.04 2.98 2.83 2yu1A1 TYR 340 HD2 -0.07 0.17 -0.02 -0.04 7.15 7.19 2yu1A1 TYR 340 HE2 -0.04 -0.05 -0.03 -0.04 6.85 6.69 2yu1A1 VAL 341 H 0.15 0.68 -0.01 -0.55 8.24 8.51 2yu1A1 VAL 341 HA 0.09 -0.01 0.34 -0.75 4.13 3.79 2yu1A1 VAL 341 HB 0.20 0.07 0.06 -0.04 2.12 2.41 2yu1A1 VAL 341 HG13 0.18 0.00 -0.10 -0.04 0.97 1.01 2yu1A1 VAL 341 HG23 0.08 0.04 -0.07 -0.04 0.95 0.96 2yu1A1 TYR 342 H 0.20 0.54 -0.30 -0.55 8.29 8.18 2yu1A1 TYR 342 HA 0.00 -0.09 0.29 -0.75 4.56 4.01 2yu1A1 TYR 342 HB2 0.02 -0.04 0.03 -0.04 3.06 3.03 2yu1A1 TYR 342 HB3 0.00 0.13 0.11 -0.04 2.98 3.18 2yu1A1 TYR 342 HD2 -0.01 0.01 -0.56 -0.04 7.15 6.55 2yu1A1 TYR 342 HE2 0.01 0.05 -0.07 -0.04 6.85 6.80 2yu1A1 CYS 343 H 0.01 0.75 -0.02 -0.55 8.50 8.69 2yu1A1 CYS 343 HA -0.21 0.05 0.56 -0.75 4.58 4.23 2yu1A1 CYS 343 HB2 -0.16 -0.06 0.07 -0.04 2.97 2.78 2yu1A1 CYS 343 HB3 -0.16 0.13 0.06 -0.04 2.97 2.96 2yu1A1 ILE 344 H -0.04 0.59 -0.10 -0.55 8.25 8.15 2yu1A1 ILE 344 HA -0.06 0.14 0.69 -0.75 4.18 4.19 2yu1A1 ILE 344 HB 0.02 0.05 0.07 -0.04 1.89 1.99 2yu1A1 ILE 344 HG12 -0.00 -0.01 -0.06 -0.04 1.49 1.38 2yu1A1 ILE 344 HG13 -0.00 0.02 -0.07 -0.04 1.21 1.12 2yu1A1 ILE 344 HG23 -0.01 -0.02 -0.13 -0.04 0.93 0.72 2yu1A1 ILE 344 HD13 0.14 -0.04 -0.10 -0.04 0.88 0.84 2yu1A1 THR 345 H -0.04 0.59 0.06 -0.55 8.28 8.33 2yu1A1 THR 345 HA -0.05 0.17 0.80 -0.75 4.39 4.56 2yu1A1 THR 345 HB 0.02 0.40 0.22 -0.04 4.32 4.92 2yu1A1 THR 345 HG23 -0.00 -0.07 -0.02 -0.04 1.22 1.08 2yu1A1 ASN 346 H -0.26 0.51 -0.09 -0.55 8.53 8.15 2yu1A1 ASN 346 HA -0.68 0.15 0.37 -0.75 4.76 3.84 2yu1A1 ASN 346 HB2 -0.16 0.02 -0.28 -0.04 2.88 2.43 2yu1A1 ASN 346 HB3 -0.09 0.16 0.15 -0.04 2.79 2.96 2yu1A1 ASN 346 HD21 -0.00 -0.07 0.09 -0.04 7.03 7.00 2yu1A1 ASN 346 HD22 -0.02 -0.00 0.15 -0.04 7.74 7.82 2yu1A1 ARG 347 H -0.02 0.09 -0.68 -0.55 8.46 7.30 2yu1A1 ARG 347 HA 0.05 0.13 0.89 -0.75 4.34 4.65 2yu1A1 ARG 347 HB2 -0.02 0.04 -0.02 -0.04 1.90 1.86 2yu1A1 ARG 347 HB3 -0.00 -0.03 0.01 -0.04 1.80 1.74 2yu1A1 ARG 347 HG2 -0.37 -0.01 -0.34 -0.04 1.67 0.91 2yu1A1 ARG 347 HG3 -0.15 0.02 -0.06 -0.04 1.67 1.44 2yu1A1 ARG 347 HD2 -0.05 -0.00 -0.03 -0.04 3.22 3.10 2yu1A1 ARG 347 HD3 -0.01 -0.03 -0.05 -0.04 3.22 3.09 2yu1A1 SER 348 H 0.15 0.17 0.07 -0.55 8.46 8.30 2yu1A1 SER 348 HA 0.03 0.11 0.47 -0.75 4.49 4.34 2yu1A1 SER 348 HB2 -0.36 0.10 0.07 -0.04 3.95 3.71 2yu1A1 SER 348 HB3 -0.08 0.00 0.07 -0.04 3.93 3.87 2yu1A1 HIS 349 H 0.01 0.11 0.19 -0.55 8.41 8.17 2yu1A1 HIS 349 HA -0.02 0.19 0.83 -0.75 4.63 4.87 2yu1A1 HIS 349 HB2 0.01 0.05 0.05 -0.04 3.26 3.33 2yu1A1 HIS 349 HB3 -0.03 -0.07 0.12 -0.04 3.20 3.17 2yu1A1 HIS 349 HD2 0.05 0.06 -0.12 -0.04 6.97 6.92 2yu1A1 HIS 349 HE1 0.01 -0.09 -0.17 -0.04 7.75 7.45 2yu1A1 LEU 350 H -0.05 0.02 0.10 -0.55 8.37 7.89 2yu1A1 LEU 350 HA -0.14 0.29 0.88 -0.75 4.35 4.63 2yu1A1 LEU 350 HB2 -0.03 -0.02 0.03 -0.04 1.64 1.58 2yu1A1 LEU 350 HB3 -0.04 -0.05 0.19 -0.04 1.64 1.70 2yu1A1 LEU 350 HG -0.04 -0.13 0.02 -0.04 1.64 1.45 2yu1A1 LEU 350 HD13 0.02 0.02 -0.04 -0.04 0.93 0.89 2yu1A1 LEU 350 HD23 -0.02 -0.01 -0.06 -0.04 0.89 0.77 2yu1A1 THR 351 H -0.19 0.35 0.09 -0.55 8.28 7.98 2yu1A1 THR 351 HA -0.03 0.12 0.40 -0.75 4.39 4.14 2yu1A1 THR 351 HB 0.05 -0.10 0.11 -0.04 4.32 4.34 2yu1A1 THR 351 HG23 -0.10 0.04 -0.17 -0.04 1.22 0.95 2yu1A1 LYS 352 H 0.01 0.18 0.15 -0.55 8.42 8.21 2yu1A1 LYS 352 HA 0.01 0.16 0.39 -0.75 4.32 4.12 2yu1A1 LYS 352 HB2 0.01 -0.04 0.12 -0.04 1.87 1.92 2yu1A1 LYS 352 HB3 -0.00 0.06 0.04 -0.04 1.79 1.85 2yu1A1 LYS 352 HG2 -0.01 0.06 0.05 -0.04 1.46 1.52 2yu1A1 LYS 352 HG3 -0.00 -0.02 0.10 -0.04 1.46 1.50 2yu1A1 LYS 352 HD2 -0.00 -0.00 0.02 -0.04 1.69 1.67 2yu1A1 LYS 352 HD3 -0.01 0.03 0.02 -0.04 1.68 1.68 2yu1A1 LYS 352 HE2 -0.01 0.03 0.01 -0.04 2.99 2.98 2yu1A1 LYS 352 HE3 -0.01 -0.01 0.02 -0.04 2.99 2.95 2yu1A1 GLU 353 H 0.07 0.08 -0.12 -0.55 8.60 8.07 2yu1A1 GLU 353 HA -0.02 0.11 0.34 -0.75 4.29 3.96 2yu1A1 GLU 353 HB2 0.19 -0.03 0.04 -0.04 2.09 2.24 2yu1A1 GLU 353 HB3 -0.03 0.08 0.02 -0.04 1.99 2.02 2yu1A1 GLU 353 HG2 0.02 0.06 0.04 -0.04 2.34 2.43 2yu1A1 GLU 353 HG3 0.06 -0.15 0.10 -0.04 2.34 2.31 2yu1A1 PHE 354 H 0.43 0.06 -0.24 -0.55 8.34 8.04 2yu1A1 PHE 354 HA -0.03 0.04 0.39 -0.75 4.62 4.26 2yu1A1 PHE 354 HB2 -0.02 0.02 0.11 -0.04 3.15 3.23 2yu1A1 PHE 354 HB3 0.00 0.07 -0.01 -0.04 3.06 3.08 2yu1A1 PHE 354 HD2 0.01 -0.04 0.05 -0.04 7.28 7.25 2yu1A1 PHE 354 HE2 -0.07 0.07 -0.04 -0.04 7.38 7.30 2yu1A1 PHE 354 HZ 0.02 0.03 -0.12 -0.04 7.32 7.20 2yu1A1 GLN 355 H 0.09 0.52 -0.32 -0.55 8.47 8.22 2yu1A1 GLN 355 HA -0.02 0.04 0.41 -0.75 4.36 4.03 2yu1A1 GLN 355 HB2 -0.01 0.10 0.13 -0.04 2.15 2.33 2yu1A1 GLN 355 HB3 -0.04 -0.01 0.02 -0.04 2.02 1.95 2yu1A1 GLN 355 HG2 -0.08 -0.09 -0.03 -0.04 2.40 2.15 2yu1A1 GLN 355 HG3 -0.00 0.35 -0.20 -0.04 2.39 2.50 2yu1A1 GLN 355 HE21 -0.04 -0.08 -0.13 -0.04 6.97 6.68 2yu1A1 GLN 355 HE22 -0.03 0.64 -0.27 -0.04 7.69 7.99 2yu1A1 LYS 356 H -0.02 0.51 -0.24 -0.55 8.42 8.12 2yu1A1 LYS 356 HA -0.04 0.03 0.37 -0.75 4.32 3.92 2yu1A1 LYS 356 HB2 -0.04 0.01 0.11 -0.04 1.87 1.91 2yu1A1 LYS 356 HB3 -0.08 0.14 0.18 -0.04 1.79 2.00 2yu1A1 LYS 356 HG2 -0.07 -0.01 -0.15 -0.04 1.46 1.19 2yu1A1 LYS 356 HG3 -0.04 -0.01 0.03 -0.04 1.46 1.40 2yu1A1 LYS 356 HD2 -0.04 -0.03 -0.02 -0.04 1.69 1.57 2yu1A1 LYS 356 HD3 -0.06 -0.01 -0.02 -0.04 1.68 1.55 2yu1A1 LYS 356 HE2 -0.05 0.01 -0.03 -0.04 2.99 2.88 2yu1A1 LYS 356 HE3 -0.03 0.01 -0.02 -0.04 2.99 2.91 2yu1A1 GLU 357 H -0.15 0.43 -0.03 -0.55 8.60 8.31 2yu1A1 GLU 357 HA -0.16 0.03 0.45 -0.75 4.29 3.85 2yu1A1 GLU 357 HB2 -0.49 0.05 0.16 -0.04 2.09 1.76 2yu1A1 GLU 357 HB3 -0.29 -0.01 0.01 -0.04 1.99 1.66 2yu1A1 GLU 357 HG2 -0.60 -0.02 0.01 -0.04 2.34 1.69 2yu1A1 GLU 357 HG3 -0.27 -0.00 0.07 -0.04 2.34 2.09 2yu1A1 SER 358 H -0.03 0.59 -0.11 -0.55 8.46 8.35 2yu1A1 SER 358 HA 0.00 -0.04 0.33 -0.75 4.49 4.04 2yu1A1 SER 358 HB2 0.01 -0.02 0.13 -0.04 3.95 4.03 2yu1A1 SER 358 HB3 -0.02 0.10 0.11 -0.04 3.93 4.07 2yu1A1 LEU 359 H -0.03 0.50 -0.24 -0.55 8.37 8.06 2yu1A1 LEU 359 HA 0.00 0.04 0.50 -0.75 4.35 4.14 2yu1A1 LEU 359 HB2 -0.02 0.08 0.18 -0.04 1.64 1.84 2yu1A1 LEU 359 HB3 -0.01 -0.06 -0.01 -0.04 1.64 1.52 2yu1A1 LEU 359 HG -0.01 0.09 0.05 -0.04 1.64 1.73 2yu1A1 LEU 359 HD13 -0.00 -0.04 -0.06 -0.04 0.93 0.79 2yu1A1 LEU 359 HD23 0.03 -0.01 0.02 -0.04 0.89 0.90 2yu1A1 SER 360 H -0.05 0.63 -0.05 -0.55 8.46 8.44 2yu1A1 SER 360 HA -0.04 0.01 0.43 -0.75 4.49 4.15 2yu1A1 SER 360 HB2 -0.07 0.04 0.24 -0.04 3.95 4.12 2yu1A1 SER 360 HB3 -0.05 -0.04 -0.02 -0.04 3.93 3.78 2yu1A1 MET 361 H -0.04 0.68 -0.01 -0.55 8.47 8.55 2yu1A1 MET 361 HA -0.04 -0.04 0.20 -0.75 4.52 3.89 2yu1A1 MET 361 HB2 -0.03 0.12 0.08 -0.04 2.15 2.28 2yu1A1 MET 361 HB3 -0.02 0.07 -0.07 -0.04 2.03 1.97 2yu1A1 MET 361 HG2 -0.04 0.01 -0.04 -0.04 2.63 2.52 2yu1A1 MET 361 HG3 -0.03 -0.04 -0.02 -0.04 2.56 2.42 2yu1A1 MET 361 HE3 0.01 0.00 -0.14 -0.04 2.10 1.93 2yu1A1 ASP 362 H -0.02 0.35 -0.46 -0.55 8.40 7.73 2yu1A1 ASP 362 HA -0.06 -0.01 0.44 -0.75 4.63 4.24 2yu1A1 ASP 362 HB2 -0.00 0.09 0.16 -0.04 2.71 2.92 2yu1A1 ASP 362 HB3 -0.02 -0.08 0.05 -0.04 2.70 2.61 2yu1A1 LEU 363 H -0.03 0.55 -0.14 -0.55 8.37 8.20 2yu1A1 LEU 363 HA -0.03 -0.01 0.54 -0.75 4.35 4.09 2yu1A1 LEU 363 HB2 -0.03 0.10 0.29 -0.04 1.64 1.96 2yu1A1 LEU 363 HB3 -0.02 -0.13 0.22 -0.04 1.64 1.66 2yu1A1 LEU 363 HG -0.01 0.08 0.08 -0.04 1.64 1.75 2yu1A1 LEU 363 HD13 -0.01 -0.04 0.02 -0.04 0.93 0.85 2yu1A1 LEU 363 HD23 -0.01 -0.02 0.00 -0.04 0.89 0.82 2yu1A1 GLU 364 H -0.06 0.85 -0.45 -0.55 8.60 8.40 2yu1A1 GLU 364 HA -0.04 0.02 0.33 -0.75 4.29 3.84 2yu1A1 GLU 364 HB2 -0.05 0.42 -0.03 -0.04 2.09 2.38 2yu1A1 GLU 364 HB3 -0.05 -0.14 0.04 -0.04 1.99 1.80 2yu1A1 GLU 364 HG2 -0.04 -0.05 0.04 -0.04 2.34 2.25 2yu1A1 GLU 364 HG3 -0.04 0.42 -0.57 -0.04 2.34 2.11 2yu1A1 GLN 450 HA -0.03 0.02 0.16 -0.75 4.36 3.75 2yu1A1 GLN 450 HB2 -0.09 -0.16 0.20 -0.04 2.15 2.06 2yu1A1 GLN 450 HB3 -0.04 -0.02 0.08 -0.04 2.02 2.01 2yu1A1 GLN 450 HG2 0.00 -0.04 0.01 -0.04 2.40 2.32 2yu1A1 GLN 450 HG3 -0.05 0.01 -0.10 -0.04 2.39 2.21 2yu1A1 GLN 450 HE21 -0.01 0.02 0.03 -0.04 6.97 6.96 2yu1A1 GLN 450 HE22 0.00 -0.04 0.02 -0.04 7.69 7.63 2yu1A1 VAL 451 H -0.12 0.21 0.15 -0.55 8.24 7.93 2yu1A1 VAL 451 HA 0.01 0.17 0.73 -0.75 4.13 4.28 2yu1A1 VAL 451 HB -0.04 -0.04 -0.04 -0.04 2.12 1.96 2yu1A1 VAL 451 HG13 0.01 -0.05 -0.20 -0.04 0.97 0.70 2yu1A1 VAL 451 HG23 -0.02 0.04 -0.12 -0.04 0.95 0.81 2yu1A1 HIS 452 H 0.10 0.26 0.07 -0.55 8.41 8.30 2yu1A1 HIS 452 HA 0.02 0.18 0.99 -0.75 4.63 5.07 2yu1A1 HIS 452 HB2 0.02 0.11 -0.10 -0.04 3.26 3.25 2yu1A1 HIS 452 HB3 0.02 0.02 -0.11 -0.04 3.20 3.09 2yu1A1 HIS 452 HD2 0.00 0.05 -0.26 -0.04 6.97 6.72 2yu1A1 HIS 452 HE1 0.00 0.09 0.07 -0.04 7.75 7.87 2yu1A1 LEU 453 H 0.02 0.21 0.05 -0.55 8.37 8.10 2yu1A1 LEU 453 HA 0.10 0.10 0.67 -0.75 4.35 4.47 2yu1A1 LEU 453 HB2 0.02 0.08 0.02 -0.04 1.64 1.71 2yu1A1 LEU 453 HB3 0.03 -0.09 0.07 -0.04 1.64 1.61 2yu1A1 LEU 453 HG 0.03 0.04 -0.12 -0.04 1.64 1.54 2yu1A1 LEU 453 HD13 -0.00 0.00 -0.11 -0.04 0.93 0.78 2yu1A1 LEU 453 HD23 0.15 0.01 -0.08 -0.04 0.89 0.92 2yu1A1 THR 454 H 0.12 0.04 0.17 -0.55 8.28 8.06 2yu1A1 THR 454 HA 0.11 0.20 0.55 -0.75 4.39 4.49 2yu1A1 THR 454 HB 0.18 0.00 0.20 -0.04 4.32 4.66 2yu1A1 THR 454 HG23 0.28 0.05 0.05 -0.04 1.22 1.56 2yu1A1 HIS 455 H 0.11 0.23 0.19 -0.55 8.41 8.39 2yu1A1 HIS 455 HA -0.07 0.16 0.47 -0.75 4.63 4.44 2yu1A1 HIS 455 HB2 -0.12 0.03 0.11 -0.04 3.26 3.24 2yu1A1 HIS 455 HB3 -0.15 0.08 0.16 -0.04 3.20 3.25 2yu1A1 HIS 455 HD2 -0.57 -0.01 0.17 -0.04 6.97 6.51 2yu1A1 HIS 455 HE1 -0.22 0.03 -0.01 -0.04 7.75 7.51 2yu1A1 PHE 456 H -0.82 0.12 -0.09 -0.55 8.34 7.00 2yu1A1 PHE 456 HA -0.36 0.08 0.34 -0.75 4.62 3.93 2yu1A1 PHE 456 HB2 0.01 -0.11 0.10 -0.04 3.15 3.11 2yu1A1 PHE 456 HB3 -0.02 0.19 0.11 -0.04 3.06 3.30 2yu1A1 PHE 456 HD2 -0.04 -0.03 0.06 -0.04 7.28 7.23 2yu1A1 PHE 456 HE2 0.09 0.09 -0.23 -0.04 7.38 7.29 2yu1A1 PHE 456 HZ 0.14 0.09 -0.18 -0.04 7.32 7.32 2yu1A1 GLU 457 H 0.02 0.09 -0.29 -0.55 8.60 7.86 2yu1A1 GLU 457 HA -0.14 0.19 0.61 -0.75 4.29 4.19 2yu1A1 GLU 457 HB2 -0.07 0.04 0.07 -0.04 2.09 2.09 2yu1A1 GLU 457 HB3 -0.24 0.03 0.04 -0.04 1.99 1.77 2yu1A1 GLU 457 HG2 -0.48 0.11 -0.05 -0.04 2.34 1.88 2yu1A1 GLU 457 HG3 -0.27 -0.12 -0.02 -0.04 2.34 1.89 2yu1A1 LEU 458 H -0.04 0.42 -0.13 -0.55 8.37 8.07 2yu1A1 LEU 458 HA -0.08 0.05 0.42 -0.75 4.35 3.98 2yu1A1 LEU 458 HB2 -0.01 0.01 0.17 -0.04 1.64 1.78 2yu1A1 LEU 458 HB3 -0.02 0.02 -0.00 -0.04 1.64 1.59 2yu1A1 LEU 458 HG -0.01 0.04 -0.08 -0.04 1.64 1.55 2yu1A1 LEU 458 HD13 0.00 0.02 -0.06 -0.04 0.93 0.85 2yu1A1 LEU 458 HD23 -0.04 -0.00 -0.10 -0.04 0.89 0.71 2yu1A1 GLU 459 H -0.03 0.79 -0.04 -0.55 8.60 8.77 2yu1A1 GLU 459 HA -0.02 0.05 0.44 -0.75 4.29 4.01 2yu1A1 GLU 459 HB2 0.02 -0.06 0.06 -0.04 2.09 2.07 2yu1A1 GLU 459 HB3 0.02 0.01 0.09 -0.04 1.99 2.08 2yu1A1 GLU 459 HG2 -0.03 0.21 0.13 -0.04 2.34 2.61 2yu1A1 GLU 459 HG3 0.01 -0.01 -0.09 -0.04 2.34 2.21 2yu1A1 GLY 460 H -0.05 0.37 -0.36 -0.55 8.43 7.83 2yu1A1 GLY 460 HA2 -0.03 -0.07 0.40 -0.51 4.01 3.79 2yu1A1 GLY 460 HA3 -0.06 0.08 0.37 -0.51 4.01 3.90 2yu1A1 LEU 461 H -0.14 0.95 0.03 -0.55 8.37 8.67 2yu1A1 LEU 461 HA -0.17 -0.03 0.40 -0.75 4.35 3.80 2yu1A1 LEU 461 HB2 -0.15 0.12 0.12 -0.04 1.64 1.68 2yu1A1 LEU 461 HB3 -0.18 -0.05 0.00 -0.04 1.64 1.38 2yu1A1 LEU 461 HG -0.38 0.19 0.07 -0.04 1.64 1.48 2yu1A1 LEU 461 HD13 -0.37 -0.01 -0.08 -0.04 0.93 0.43 2yu1A1 LEU 461 HD23 -0.56 -0.03 -0.03 -0.04 0.89 0.23 2yu1A1 ARG 462 H -0.07 0.46 -0.42 -0.55 8.46 7.87 2yu1A1 ARG 462 HA -0.06 -0.00 0.34 -0.75 4.34 3.86 2yu1A1 ARG 462 HB2 -0.04 0.15 0.16 -0.04 1.90 2.12 2yu1A1 ARG 462 HB3 -0.03 0.15 0.17 -0.04 1.80 2.04 2yu1A1 ARG 462 HG2 -0.02 -0.01 0.01 -0.04 1.67 1.60 2yu1A1 ARG 462 HG3 -0.03 -0.06 -0.10 -0.04 1.67 1.45 2yu1A1 ARG 462 HD2 -0.04 0.03 0.02 -0.04 3.22 3.19 2yu1A1 ARG 462 HD3 -0.03 0.01 -0.00 -0.04 3.22 3.16 2yu1A1 CYS 463 H -0.04 0.48 -0.12 -0.55 8.50 8.27 2yu1A1 CYS 463 HA -0.03 0.00 0.42 -0.75 4.58 4.22 2yu1A1 CYS 463 HB2 -0.02 0.12 0.12 -0.04 2.97 3.15 2yu1A1 CYS 463 HB3 -0.00 -0.05 -0.05 -0.04 2.97 2.83 2yu1A1 LEU 464 H -0.07 0.60 -0.07 -0.55 8.37 8.29 2yu1A1 LEU 464 HA -0.09 -0.03 0.40 -0.75 4.35 3.88 2yu1A1 LEU 464 HB2 -0.13 0.11 0.16 -0.04 1.64 1.74 2yu1A1 LEU 464 HB3 -0.21 -0.01 -0.06 -0.04 1.64 1.32 2yu1A1 LEU 464 HG 0.02 -0.01 0.00 -0.04 1.64 1.60 2yu1A1 LEU 464 HD13 -0.10 0.00 -0.04 -0.04 0.93 0.75 2yu1A1 LEU 464 HD23 -0.09 -0.01 0.02 -0.04 0.89 0.77 2yu1A1 VAL 465 H -0.12 0.60 -0.29 -0.55 8.24 7.87 2yu1A1 VAL 465 HA -0.21 0.00 0.45 -0.75 4.13 3.62 2yu1A1 VAL 465 HB -0.09 0.16 0.17 -0.04 2.12 2.32 2yu1A1 VAL 465 HG13 -0.08 -0.03 -0.14 -0.04 0.97 0.69 2yu1A1 VAL 465 HG23 -0.12 0.03 -0.02 -0.04 0.95 0.80 2yu1A1 ASP 466 H -0.07 0.65 0.06 -0.55 8.40 8.48 2yu1A1 ASP 466 HA -0.05 0.01 0.41 -0.75 4.63 4.25 2yu1A1 ASP 466 HB2 -0.04 0.04 0.14 -0.04 2.71 2.81 2yu1A1 ASP 466 HB3 -0.03 -0.04 0.00 -0.04 2.70 2.59 2yu1A1 LYS 467 H -0.07 0.84 -0.11 -0.55 8.42 8.53 2yu1A1 LYS 467 HA -0.03 0.00 0.35 -0.75 4.32 3.90 2yu1A1 LYS 467 HB2 0.00 0.02 0.06 -0.04 1.87 1.91 2yu1A1 LYS 467 HB3 -0.07 0.01 0.13 -0.04 1.79 1.81 2yu1A1 LYS 467 HG2 0.18 -0.06 -0.07 -0.04 1.46 1.47 2yu1A1 LYS 467 HG3 -0.03 0.02 -0.26 -0.04 1.46 1.15 2yu1A1 LYS 467 HD2 0.03 0.01 0.02 -0.04 1.69 1.71 2yu1A1 LYS 467 HD3 0.10 -0.03 -0.04 -0.04 1.68 1.67 2yu1A1 LYS 467 HE2 0.31 -0.04 -0.07 -0.04 2.99 3.16 2yu1A1 LYS 467 HE3 0.11 0.02 -0.11 -0.04 2.99 2.97 2yu1A1 LEU 468 H -0.22 0.52 -0.07 -0.55 8.37 8.06 2yu1A1 LEU 468 HA -0.29 -0.01 0.33 -0.75 4.35 3.63 2yu1A1 LEU 468 HB2 -0.47 0.29 0.21 -0.04 1.64 1.63 2yu1A1 LEU 468 HB3 -0.57 -0.06 -0.03 -0.04 1.64 0.94 2yu1A1 LEU 468 HG -1.17 0.01 0.03 -0.04 1.64 0.48 2yu1A1 LEU 468 HD13 -0.39 -0.01 0.02 -0.04 0.93 0.51 2yu1A1 LEU 468 HD23 -1.34 -0.01 -0.10 -0.04 0.89 -0.60 2yu1A1 GLU 469 H -0.11 0.38 -0.51 -0.55 8.60 7.81 2yu1A1 GLU 469 HA -0.00 0.04 0.61 -0.75 4.29 4.18 2yu1A1 GLU 469 HB2 -0.05 0.14 0.14 -0.04 2.09 2.27 2yu1A1 GLU 469 HB3 -0.02 -0.08 -0.02 -0.04 1.99 1.83 2yu1A1 GLU 469 HG2 0.00 -0.08 0.03 -0.04 2.34 2.25 2yu1A1 GLU 469 HG3 -0.05 0.07 0.01 -0.04 2.34 2.32 2yu1A1 SER 470 H -0.06 0.53 -0.13 -0.55 8.46 8.26 2yu1A1 SER 470 HA -0.02 0.02 0.54 -0.75 4.49 4.27 2yu1A1 SER 470 HB2 -0.01 -0.12 0.16 -0.04 3.95 3.94 2yu1A1 SER 470 HB3 -0.02 -0.01 0.11 -0.04 3.93 3.98 2yu1A1 LEU 471 H -0.05 0.24 -0.81 -0.55 8.37 7.21 2yu1A1 LEU 471 HA -0.06 0.12 0.69 -0.75 4.35 4.34 2yu1A1 LEU 471 HB2 -0.06 0.10 0.02 -0.04 1.64 1.66 2yu1A1 LEU 471 HB3 -0.10 0.10 -0.16 -0.04 1.64 1.43 2yu1A1 LEU 471 HG -0.23 0.15 -0.13 -0.04 1.64 1.39 2yu1A1 LEU 471 HD13 -0.54 0.01 0.00 -0.04 0.93 0.36 2yu1A1 LEU 471 HD23 -0.23 -0.01 -0.08 -0.04 0.89 0.53 2yu1A1 PRO 472 HA -0.04 0.03 0.41 -0.51 4.44 4.33 2yu1A1 PRO 472 HB2 -0.43 -0.10 0.02 -0.04 2.28 1.73 2yu1A1 PRO 472 HB3 -0.05 0.07 0.11 -0.04 2.02 2.10 2yu1A1 PRO 472 HG2 -0.29 -0.08 0.08 -0.04 2.03 1.69 2yu1A1 PRO 472 HG3 -0.12 0.06 0.08 -0.04 2.03 2.01 2yu1A1 PRO 472 HD2 -0.07 0.12 0.22 -0.04 3.68 3.91 2yu1A1 PRO 472 HD3 -0.04 0.21 0.19 -0.04 3.65 3.97 2yu1A1 LEU 473 H 0.01 0.13 0.17 -0.55 8.37 8.13 2yu1A1 LEU 473 HA 0.00 0.13 0.34 -0.75 4.35 4.07 2yu1A1 LEU 473 HB2 0.12 -0.07 0.13 -0.04 1.64 1.79 2yu1A1 LEU 473 HB3 0.06 0.01 -0.01 -0.04 1.64 1.66 2yu1A1 LEU 473 HG 0.04 -0.01 0.06 -0.04 1.64 1.68 2yu1A1 LEU 473 HD13 0.01 0.01 0.06 -0.04 0.93 0.97 2yu1A1 LEU 473 HD23 0.03 0.03 0.11 -0.04 0.89 1.02 2yu1A1 HIS 474 H 0.18 0.05 -0.24 -0.55 8.41 7.86 2yu1A1 HIS 474 HA 0.01 0.08 0.49 -0.75 4.63 4.45 2yu1A1 HIS 474 HB2 0.02 0.02 0.05 -0.04 3.26 3.32 2yu1A1 HIS 474 HB3 0.01 -0.01 0.09 -0.04 3.20 3.24 2yu1A1 HIS 474 HD2 0.03 0.02 -0.07 -0.04 6.97 6.90 2yu1A1 HIS 474 HE1 0.02 0.00 -0.01 -0.04 7.75 7.72 2yu1A1 LYS 475 H -0.27 0.71 -0.29 -0.55 8.42 8.02 2yu1A1 LYS 475 HA 0.04 0.15 1.04 -0.75 4.32 4.79 2yu1A1 LYS 475 HB2 -0.14 0.05 0.09 -0.04 1.87 1.83 2yu1A1 LYS 475 HB3 0.04 -0.02 0.18 -0.04 1.79 1.94 2yu1A1 LYS 475 HG2 0.08 0.04 -0.07 -0.04 1.46 1.47 2yu1A1 LYS 475 HG3 -0.02 -0.10 -0.30 -0.04 1.46 1.00 2yu1A1 LYS 475 HD2 0.07 0.01 0.01 -0.04 1.69 1.74 2yu1A1 LYS 475 HD3 0.10 -0.01 -0.03 -0.04 1.68 1.70 2yu1A1 LYS 475 HE2 -0.06 -0.05 -0.03 -0.04 2.99 2.81 2yu1A1 LYS 475 HE3 -0.06 0.04 0.02 -0.04 2.99 2.95 2yu1A1 LYS 476 H 0.01 0.29 -0.23 -0.55 8.42 7.93 2yu1A1 LYS 476 HA 0.06 0.20 0.61 -0.75 4.32 4.44 2yu1A1 LYS 476 HB2 -0.00 -0.02 0.03 -0.04 1.87 1.84 2yu1A1 LYS 476 HB3 0.24 -0.04 0.09 -0.04 1.79 2.04 2yu1A1 LYS 476 HG2 0.07 0.14 -0.09 -0.04 1.46 1.53 2yu1A1 LYS 476 HG3 0.01 0.02 -0.32 -0.04 1.46 1.13 2yu1A1 LYS 476 HD2 0.02 -0.08 0.02 -0.04 1.69 1.61 2yu1A1 LYS 476 HD3 0.16 -0.07 0.01 -0.04 1.68 1.75 2yu1A1 LYS 476 HE2 0.02 -0.10 -0.03 -0.04 2.99 2.83 2yu1A1 LYS 476 HE3 0.05 -0.14 0.03 -0.04 2.99 2.88 2yu1A1 CYS 477 H 0.09 0.06 -0.36 -0.55 8.50 7.75 2yu1A1 CYS 477 HA 0.11 0.05 0.20 -0.75 4.58 4.18 2yu1A1 CYS 477 HB2 0.40 0.03 -0.26 -0.04 2.97 3.10 2yu1A1 CYS 477 HB3 0.30 -0.08 0.01 -0.04 2.97 3.17 2yu1A1 VAL 478 H -0.18 -0.02 -0.33 -0.55 8.24 7.16 2yu1A1 VAL 478 HA -1.21 0.10 0.47 -0.75 4.13 2.73 2yu1A1 VAL 478 HB -0.40 -0.02 0.11 -0.04 2.12 1.77 2yu1A1 VAL 478 HG13 -0.81 0.04 -0.05 -0.04 0.97 0.10 2yu1A1 VAL 478 HG23 -0.77 -0.03 -0.02 -0.04 0.95 0.09 2yu1A1 PRO 479 HA -0.05 0.05 0.36 -0.51 4.44 4.29 2yu1A1 PRO 479 HB2 -0.67 -0.17 0.12 -0.04 2.28 1.51 2yu1A1 PRO 479 HB3 -0.38 0.11 0.18 -0.04 2.02 1.90 2yu1A1 PRO 479 HG2 -0.74 -0.09 -0.14 -0.04 2.03 1.02 2yu1A1 PRO 479 HG3 -1.10 0.10 0.00 -0.04 2.03 0.99 2yu1A1 PRO 479 HD2 -0.78 0.03 0.20 -0.04 3.68 3.09 2yu1A1 PRO 479 HD3 -0.11 0.23 0.33 -0.04 3.65 4.06 2yu1A1 THR 480 H -0.09 0.12 0.17 -0.55 8.28 7.93 2yu1A1 THR 480 HA -0.14 0.28 0.72 -0.75 4.39 4.50 2yu1A1 THR 480 HB 0.06 0.03 0.10 -0.04 4.32 4.47 2yu1A1 THR 480 HG23 0.26 -0.01 -0.06 -0.04 1.22 1.37 2yu1A1 GLY 481 H -0.45 0.11 -0.05 -0.55 8.43 7.49 2yu1A1 GLY 481 HA2 -1.84 0.08 0.59 -0.51 4.01 2.34 2yu1A1 GLY 481 HA3 -2.01 0.04 0.37 -0.51 4.01 1.90 2yu1A1 ILE 482 H -0.42 0.30 -0.73 -0.55 8.25 6.84 2yu1A1 ILE 482 HA -0.26 0.17 1.15 -0.75 4.18 4.49 2yu1A1 ILE 482 HB -0.46 0.06 -0.13 -0.04 1.89 1.31 2yu1A1 ILE 482 HG12 -0.21 0.08 -0.21 -0.04 1.49 1.11 2yu1A1 ILE 482 HG13 -0.50 -0.13 -0.43 -0.04 1.21 0.11 2yu1A1 ILE 482 HG23 -0.32 0.02 -0.42 -0.04 0.93 0.17 2yu1A1 ILE 482 HD13 -0.21 0.02 -0.18 -0.04 0.88 0.46 2yu1A1 GLU 483 H -0.12 0.38 0.04 -0.55 8.60 8.36 2yu1A1 GLU 483 HA -0.10 0.03 0.35 -0.75 4.29 3.82 2yu1A1 GLU 483 HB2 -0.01 0.20 0.05 -0.04 2.09 2.29 2yu1A1 GLU 483 HB3 -0.02 -0.04 0.09 -0.04 1.99 1.97 2yu1A1 GLU 483 HG2 -0.05 -0.06 -0.29 -0.04 2.34 1.90 2yu1A1 GLU 483 HG3 -0.02 0.06 -0.07 -0.04 2.34 2.26 2yu1A1 ASP 484 H -0.01 0.20 0.08 -0.55 8.40 8.12 2yu1A1 ASP 484 HA -0.11 0.21 0.91 -0.75 4.63 4.88 2yu1A1 ASP 484 HB2 -0.02 0.08 0.06 -0.04 2.71 2.80 2yu1A1 ASP 484 HB3 0.00 -0.02 0.16 -0.04 2.70 2.80 2yu1A1 GLU 485 H -0.21 0.27 0.16 -0.55 8.60 8.27 2yu1A1 GLU 485 HA -0.20 0.16 0.47 -0.75 4.29 3.97 2yu1A1 GLU 485 HB2 -0.28 0.01 0.02 -0.04 2.09 1.80 2yu1A1 GLU 485 HB3 -1.08 0.08 0.06 -0.04 1.99 1.01 2yu1A1 GLU 485 HG2 -0.89 0.06 0.03 -0.04 2.34 1.50 2yu1A1 GLU 485 HG3 -0.61 0.06 -0.07 -0.04 2.34 1.68 2yu1A1 ASP 486 H -0.08 0.09 -0.00 -0.55 8.40 7.86 2yu1A1 ASP 486 HA 0.02 0.15 0.46 -0.75 4.63 4.51 2yu1A1 ASP 486 HB2 -0.02 -0.04 0.09 -0.04 2.71 2.69 2yu1A1 ASP 486 HB3 -0.00 0.07 0.03 -0.04 2.70 2.75 2yu1A1 ALA 487 H -0.04 0.05 -0.22 -0.55 8.40 7.63 2yu1A1 ALA 487 HA 0.01 0.07 0.34 -0.75 4.34 4.01 2yu1A1 ALA 487 HB3 0.09 0.05 0.05 -0.04 1.41 1.55 2yu1A1 LEU 488 H -0.24 0.21 -0.55 -0.55 8.37 7.24 2yu1A1 LEU 488 HA -0.80 0.06 0.32 -0.75 4.35 3.18 2yu1A1 LEU 488 HB2 -0.23 0.10 0.22 -0.04 1.64 1.69 2yu1A1 LEU 488 HB3 0.04 0.07 0.09 -0.04 1.64 1.80 2yu1A1 LEU 488 HG -0.30 -0.00 0.01 -0.04 1.64 1.30 2yu1A1 LEU 488 HD13 0.12 -0.02 -0.02 -0.04 0.93 0.98 2yu1A1 LEU 488 HD23 -0.09 -0.01 -0.13 -0.04 0.89 0.63 2yu1A1 ILE 489 H 0.04 0.80 0.08 -0.55 8.25 8.62 2yu1A1 ILE 489 HA -0.03 -0.01 0.36 -0.75 4.18 3.75 2yu1A1 ILE 489 HB 0.05 0.00 0.17 -0.04 1.89 2.07 2yu1A1 ILE 489 HG12 0.33 0.18 0.09 -0.04 1.49 2.05 2yu1A1 ILE 489 HG13 0.16 0.00 -0.03 -0.04 1.21 1.31 2yu1A1 ILE 489 HG23 -0.01 -0.01 -0.12 -0.04 0.93 0.75 2yu1A1 ILE 489 HD13 -0.22 -0.01 -0.00 -0.04 0.88 0.61 2yu1A1 ALA 490 H -0.01 0.76 -0.23 -0.55 8.40 8.37 2yu1A1 ALA 490 HA -0.00 -0.01 0.44 -0.75 4.34 4.01 2yu1A1 ALA 490 HB3 0.01 0.01 0.07 -0.04 1.41 1.46 2yu1A1 ASP 491 H -0.00 0.65 -0.11 -0.55 8.40 8.40 2yu1A1 ASP 491 HA 0.04 -0.03 0.44 -0.75 4.63 4.33 2yu1A1 ASP 491 HB2 0.08 0.20 0.24 -0.04 2.71 3.18 2yu1A1 ASP 491 HB3 0.13 -0.05 -0.01 -0.04 2.70 2.73 2yu1A1 VAL 492 H -0.02 0.45 -0.28 -0.55 8.24 7.84 2yu1A1 VAL 492 HA -0.01 0.05 0.50 -0.75 4.13 3.92 2yu1A1 VAL 492 HB -0.06 0.10 0.12 -0.04 2.12 2.24 2yu1A1 VAL 492 HG13 -0.08 -0.02 -0.09 -0.04 0.97 0.74 2yu1A1 VAL 492 HG23 -0.04 0.09 -0.08 -0.04 0.95 0.88 2yu1A1 LYS 493 H -0.02 0.61 0.01 -0.55 8.42 8.46 2yu1A1 LYS 493 HA -0.03 0.00 0.35 -0.75 4.32 3.89 2yu1A1 LYS 493 HB2 -0.01 0.15 0.20 -0.04 1.87 2.16 2yu1A1 LYS 493 HB3 -0.02 -0.04 -0.02 -0.04 1.79 1.67 2yu1A1 LYS 493 HG2 -0.03 -0.04 0.02 -0.04 1.46 1.37 2yu1A1 LYS 493 HG3 -0.04 0.00 0.06 -0.04 1.46 1.44 2yu1A1 LYS 493 HD2 -0.02 0.08 -0.09 -0.04 1.69 1.62 2yu1A1 LYS 493 HD3 -0.01 -0.04 -0.01 -0.04 1.68 1.58 2yu1A1 LYS 493 HE2 -0.02 -0.02 -0.04 -0.04 2.99 2.87 2yu1A1 LYS 493 HE3 -0.03 0.02 -0.06 -0.04 2.99 2.88 2yu1A1 ILE 494 H -0.00 0.51 -0.22 -0.55 8.25 7.99 2yu1A1 ILE 494 HA -0.01 0.01 0.46 -0.75 4.18 3.89 2yu1A1 ILE 494 HB 0.01 0.11 0.12 -0.04 1.89 2.09 2yu1A1 ILE 494 HG12 0.00 -0.05 0.03 -0.04 1.49 1.43 2yu1A1 ILE 494 HG13 0.00 0.02 0.04 -0.04 1.21 1.23 2yu1A1 ILE 494 HG23 0.00 -0.01 -0.13 -0.04 0.93 0.76 2yu1A1 ILE 494 HD13 0.01 -0.01 -0.06 -0.04 0.88 0.78 2yu1A1 LEU 495 H -0.00 0.44 -0.27 -0.55 8.37 7.99 2yu1A1 LEU 495 HA -0.01 0.00 0.43 -0.75 4.35 4.02 2yu1A1 LEU 495 HB2 0.01 0.30 0.26 -0.04 1.64 2.17 2yu1A1 LEU 495 HB3 -0.01 0.08 0.20 -0.04 1.64 1.87 2yu1A1 LEU 495 HG 0.00 -0.02 0.02 -0.04 1.64 1.61 2yu1A1 LEU 495 HD13 0.05 -0.00 -0.05 -0.04 0.93 0.88 2yu1A1 LEU 495 HD23 0.00 -0.03 -0.18 -0.04 0.89 0.65 2yu1A1 LEU 496 H -0.03 0.70 -0.15 -0.55 8.37 8.35 2yu1A1 LEU 496 HA -0.04 0.01 0.35 -0.75 4.35 3.92 2yu1A1 LEU 496 HB2 -0.04 0.10 0.07 -0.04 1.64 1.73 2yu1A1 LEU 496 HB3 -0.04 -0.06 0.01 -0.04 1.64 1.51 2yu1A1 LEU 496 HG -0.06 0.20 -0.09 -0.04 1.64 1.65 2yu1A1 LEU 496 HD13 -0.07 -0.02 -0.19 -0.04 0.93 0.61 2yu1A1 LEU 496 HD23 -0.08 -0.02 -0.06 -0.04 0.89 0.69 2yu1A1 GLU 497 H -0.02 0.36 -0.39 -0.55 8.60 8.00 2yu1A1 GLU 497 HA -0.02 0.11 0.81 -0.75 4.29 4.44 2yu1A1 GLU 497 HB2 -0.01 -0.07 0.09 -0.04 2.09 2.06 2yu1A1 GLU 497 HB3 -0.01 0.04 0.08 -0.04 1.99 2.05 2yu1A1 GLU 497 HG2 -0.01 0.16 0.22 -0.04 2.34 2.67 2yu1A1 GLU 497 HG3 -0.01 -0.01 -0.10 -0.04 2.34 2.18 2yu1A1 GLU 498 H -0.02 0.52 0.02 -0.55 8.60 8.58 2yu1A1 GLU 498 HA -0.02 0.02 0.45 -0.75 4.29 3.98 2yu1A1 GLU 498 HB2 -0.03 0.08 0.12 -0.04 2.09 2.22 2yu1A1 GLU 498 HB3 -0.03 -0.03 0.07 -0.04 1.99 1.96 2yu1A1 GLU 498 HG2 -0.01 -0.09 0.05 -0.04 2.34 2.25 2yu1A1 GLU 498 HG3 -0.01 0.46 0.15 -0.04 2.34 2.90 2yu1A1 LEU 499 H -0.03 0.39 -0.29 -0.55 8.37 7.90 2yu1A1 LEU 499 HA -0.07 0.19 0.59 -0.75 4.35 4.30 2yu1A1 LEU 499 HB2 -0.04 0.03 -0.04 -0.04 1.64 1.56 2yu1A1 LEU 499 HB3 -0.06 -0.11 0.05 -0.04 1.64 1.48 2yu1A1 LEU 499 HG -0.04 0.14 0.05 -0.04 1.64 1.75 2yu1A1 LEU 499 HD13 -0.02 -0.04 -0.09 -0.04 0.93 0.74 2yu1A1 LEU 499 HD23 -0.09 0.04 -0.06 -0.04 0.89 0.73 2yu1A1 ALA 500 H -0.02 0.22 -0.61 -0.55 8.40 7.44 2yu1A1 ALA 500 HA -0.01 -0.01 0.34 -0.75 4.34 3.91 2yu1A1 ALA 500 HB3 -0.01 -0.00 0.10 -0.04 1.41 1.46 2yu1A1 ASN 501 H -0.01 0.19 -0.43 -0.55 8.53 7.73 2yu1A1 ASN 501 HA 0.02 0.08 0.70 -0.75 4.76 4.81 2yu1A1 ASN 501 HB2 0.03 0.01 0.19 -0.04 2.88 3.06 2yu1A1 ASN 501 HB3 0.02 -0.05 0.05 -0.04 2.79 2.77 2yu1A1 ASN 501 HD21 -0.00 0.00 -0.02 -0.04 7.03 6.98 2yu1A1 ASN 501 HD22 0.00 -0.02 -0.03 -0.04 7.74 7.65 2yu1A1 SER 502 H 0.04 0.28 0.10 -0.55 8.46 8.34 2yu1A1 SER 502 HA 0.25 0.15 0.88 -0.75 4.49 5.01 2yu1A1 SER 502 HB2 0.07 -0.01 0.05 -0.04 3.95 4.01 2yu1A1 SER 502 HB3 0.16 -0.00 -0.02 -0.04 3.93 4.03 2yu1A1 ASP 503 H 0.41 0.17 0.08 -0.55 8.40 8.52 2yu1A1 ASP 503 HA 0.02 0.20 0.70 -0.75 4.63 4.79 2yu1A1 ASP 503 HB2 -0.09 0.11 0.06 -0.04 2.71 2.75 2yu1A1 ASP 503 HB3 -0.29 -0.03 0.15 -0.04 2.70 2.48 2yu1A1 PRO 504 HA 0.04 0.09 0.40 -0.51 4.44 4.46 2yu1A1 PRO 504 HB2 -0.00 0.05 0.04 -0.04 2.28 2.32 2yu1A1 PRO 504 HB3 -0.01 0.02 0.16 -0.04 2.02 2.14 2yu1A1 PRO 504 HG2 -0.02 -0.05 0.16 -0.04 2.03 2.07 2yu1A1 PRO 504 HG3 -0.04 0.07 0.14 -0.04 2.03 2.16 2yu1A1 PRO 504 HD2 -0.01 0.07 0.32 -0.04 3.68 4.03 2yu1A1 PRO 504 HD3 0.00 0.27 0.24 -0.04 3.65 4.12 2yu1A1 LYS 505 H -0.02 0.11 -0.13 -0.55 8.42 7.83 2yu1A1 LYS 505 HA 0.00 0.08 0.37 -0.75 4.32 4.02 2yu1A1 LYS 505 HB2 -0.04 -0.07 0.08 -0.04 1.87 1.81 2yu1A1 LYS 505 HB3 -0.02 0.07 -0.05 -0.04 1.79 1.75 2yu1A1 LYS 505 HG2 -0.01 0.03 0.04 -0.04 1.46 1.48 2yu1A1 LYS 505 HG3 -0.01 -0.03 0.06 -0.04 1.46 1.43 2yu1A1 LYS 505 HD2 -0.02 -0.01 0.01 -0.04 1.69 1.64 2yu1A1 LYS 505 HD3 -0.02 0.03 -0.01 -0.04 1.68 1.65 2yu1A1 LYS 505 HE2 -0.00 0.01 0.01 -0.04 2.99 2.96 2yu1A1 LYS 505 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.95 2yu1A1 LEU 506 H -0.09 0.01 -0.22 -0.55 8.37 7.53 2yu1A1 LEU 506 HA -0.07 0.07 0.29 -0.75 4.35 3.89 2yu1A1 LEU 506 HB2 -0.45 0.01 0.04 -0.04 1.64 1.20 2yu1A1 LEU 506 HB3 -0.28 0.06 0.02 -0.04 1.64 1.40 2yu1A1 LEU 506 HG -0.17 -0.11 0.03 -0.04 1.64 1.34 2yu1A1 LEU 506 HD13 -0.37 0.01 0.00 -0.04 0.93 0.52 2yu1A1 LEU 506 HD23 -0.09 0.01 -0.04 -0.04 0.89 0.73 2yu1A1 ALA 507 H 0.01 0.37 -0.54 -0.55 8.40 7.69 2yu1A1 ALA 507 HA 0.12 0.19 0.45 -0.75 4.34 4.35 2yu1A1 ALA 507 HB3 0.11 -0.02 -0.23 -0.04 1.41 1.23 2yu1A1 LEU 508 H 0.04 0.44 -0.22 -0.55 8.37 8.08 2yu1A1 LEU 508 HA 0.05 -0.09 0.35 -0.75 4.35 3.90 2yu1A1 LEU 508 HB2 0.02 0.13 0.23 -0.04 1.64 1.97 2yu1A1 LEU 508 HB3 0.02 -0.13 0.14 -0.04 1.64 1.64 2yu1A1 LEU 508 HG 0.04 0.41 0.17 -0.04 1.64 2.22 2yu1A1 LEU 508 HD13 0.03 -0.04 0.01 -0.04 0.93 0.89 2yu1A1 LEU 508 HD23 0.08 -0.03 -0.15 -0.04 0.89 0.75 2yu1A1 THR 509 H 0.04 0.73 0.35 -0.55 8.28 8.85 2yu1A1 THR 509 HA 0.00 0.12 0.33 -0.75 4.39 4.09 2yu1A1 THR 509 HB -0.01 -0.02 0.13 -0.04 4.32 4.38 2yu1A1 THR 509 HG23 0.03 0.09 0.09 -0.04 1.22 1.39 2yu1A1 GLY 510 H -0.02 0.04 -0.38 -0.55 8.43 7.53 2yu1A1 GLY 510 HA2 -0.08 -0.19 0.21 -0.51 4.01 3.43 2yu1A1 GLY 510 HA3 -0.07 0.19 0.54 -0.51 4.01 4.16 2yu1A1 VAL 511 H -0.05 0.19 -0.55 -0.55 8.24 7.28 2yu1A1 VAL 511 HA -0.19 0.09 0.71 -0.75 4.13 3.99 2yu1A1 VAL 511 HB -0.07 0.03 -0.07 -0.04 2.12 1.96 2yu1A1 VAL 511 HG13 -0.06 0.05 -0.10 -0.04 0.97 0.82 2yu1A1 VAL 511 HG23 -0.12 -0.01 -0.27 -0.04 0.95 0.51 2yu1A1 PRO 512 HA 0.13 -0.08 0.40 -0.51 4.44 4.38 2yu1A1 PRO 512 HB2 0.10 0.15 0.00 -0.04 2.28 2.49 2yu1A1 PRO 512 HB3 0.23 -0.10 0.07 -0.04 2.02 2.18 2yu1A1 PRO 512 HG2 0.12 0.12 0.04 -0.04 2.03 2.26 2yu1A1 PRO 512 HG3 0.21 0.14 0.03 -0.04 2.03 2.36 2yu1A1 PRO 512 HD2 -0.10 0.11 0.20 -0.04 3.68 3.85 2yu1A1 PRO 512 HD3 -0.06 -0.01 0.07 -0.04 3.65 3.60 2yu1A1 ILE 513 H 0.03 0.01 0.15 -0.55 8.25 7.89 2yu1A1 ILE 513 HA -0.10 0.17 0.42 -0.75 4.18 3.92 2yu1A1 ILE 513 HB 0.00 -0.03 0.10 -0.04 1.89 1.91 2yu1A1 ILE 513 HG12 -0.03 -0.05 -0.07 -0.04 1.49 1.30 2yu1A1 ILE 513 HG13 -0.12 0.05 -0.10 -0.04 1.21 1.00 2yu1A1 ILE 513 HG23 -0.17 -0.03 -0.12 -0.04 0.93 0.57 2yu1A1 ILE 513 HD13 -0.07 0.03 0.04 -0.04 0.88 0.84 2yu1A1 VAL 514 H -0.16 -0.06 -0.22 -0.55 8.24 7.25 2yu1A1 VAL 514 HA -0.22 0.19 0.70 -0.75 4.13 4.04 2yu1A1 VAL 514 HB -0.16 -0.09 0.05 -0.04 2.12 1.88 2yu1A1 VAL 514 HG13 -0.09 0.01 -0.25 -0.04 0.97 0.60 2yu1A1 VAL 514 HG23 -0.74 -0.02 -0.16 -0.04 0.95 -0.00 2yu1A1 GLN 515 H -0.22 0.35 0.11 -0.55 8.47 8.17 2yu1A1 GLN 515 HA -0.06 0.11 0.61 -0.75 4.36 4.27 2yu1A1 GLN 515 HB2 -0.44 0.12 -0.42 -0.04 2.15 1.37 2yu1A1 GLN 515 HB3 -1.31 -0.00 -0.13 -0.04 2.02 0.53 2yu1A1 GLN 515 HG2 -0.52 -0.02 -0.05 -0.04 2.40 1.76 2yu1A1 GLN 515 HG3 -0.42 -0.11 0.05 -0.04 2.39 1.86 2yu1A1 GLN 515 HE21 0.12 0.05 0.10 -0.04 6.97 7.20 2yu1A1 GLN 515 HE22 0.16 -0.08 0.05 -0.04 7.69 7.77 2yu1A1 TRP 516 H 0.59 0.11 0.10 -0.55 7.97 8.22 2yu1A1 TRP 516 HA -0.01 -0.00 0.31 -0.75 4.62 4.16 2yu1A1 TRP 516 HB2 0.03 0.26 0.38 -0.04 3.23 3.86 2yu1A1 TRP 516 HB3 0.01 -0.04 0.20 -0.04 3.23 3.36 2yu1A1 TRP 516 HD1 0.02 0.01 0.01 -0.04 7.22 7.22 2yu1A1 TRP 516 HE1 0.01 -0.02 -0.01 -0.04 10.20 10.14 2yu1A1 TRP 516 HE3 -0.01 0.00 0.11 -0.04 7.59 7.65 2yu1A1 TRP 516 HZ2 0.02 -0.02 -0.03 -0.04 7.44 7.38 2yu1A1 TRP 516 HZ3 0.00 -0.00 0.01 -0.04 7.13 7.10 2yu1A1 TRP 516 HH2 0.04 -0.03 -0.02 -0.04 7.19 7.14 2yu1A1 PRO 517 HA 0.07 0.27 -0.05 -0.51 4.44 4.22 2yu1A1 PRO 517 HB2 0.04 -0.10 -0.04 -0.04 2.28 2.14 2yu1A1 PRO 517 HB3 0.06 0.20 0.10 -0.04 2.02 2.34 2yu1A1 PRO 517 HG2 0.07 -0.06 -0.13 -0.04 2.03 1.87 2yu1A1 PRO 517 HG3 0.05 0.14 0.06 -0.04 2.03 2.24 2yu1A1 PRO 517 HD2 0.24 -0.04 0.12 -0.04 3.68 3.97 2yu1A1 PRO 517 HD3 0.14 0.12 0.08 -0.04 3.65 3.96