============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. HIS 5 0.900 85.831 31.297 32.135 -99.200 -91.000 HIS 31 0.900 66.164 52.313 18.029 -99.200 -91.000 PHE 39 1.000 63.022 39.915 16.355 -99.200 -91.000 HIS 59 0.900 87.081 43.050 23.357 -99.200 -91.000 PHE 73 1.000 68.502 39.371 13.160 -99.200 -91.000 PHE 75 1.000 76.746 36.098 13.401 -99.200 -91.000 PHE 80 1.000 73.827 45.435 8.322 -99.200 -91.000 HIS 82 0.900 84.220 48.046 12.261 -99.200 -91.000 PHE 88 1.000 81.524 59.562 5.487 -99.200 -91.000 TYR 92 0.840 83.763 52.248 -3.830 -99.200 -91.000 HIS 117 0.900 71.189 44.859 3.151 -99.200 -91.000 TYR 121 0.840 63.224 49.729 0.880 -99.200 -91.000 TYR 126 0.840 76.372 50.826 5.772 -99.200 -91.000 PHE 137 1.000 85.114 31.355 -8.297 -99.200 -91.000 TYR 166 0.840 89.076 36.707 -8.432 -99.200 -91.000 PHE 170 1.000 86.321 41.647 -5.004 -99.200 -91.000 PHE 171 1.000 87.546 38.532 0.478 -99.200 -91.000 PHE 173 1.000 91.935 48.298 2.438 -99.200 -91.000 TYR 176 0.840 84.436 43.563 14.265 -99.200 -91.000 PHE 190 1.000 83.877 22.258 7.981 -99.200 -91.000 PHE 217 1.000 78.444 35.187 18.631 -99.200 -91.000 PHE 240 1.000 83.515 30.936 27.174 -99.200 -91.000 HIS 252 0.900 65.783 26.603 24.872 -99.200 -91.000 PHE 265 1.000 69.898 1.522 12.772 -99.200 -91.000 PHE 270 1.000 60.035 -2.215 10.969 -99.200 -91.000 HIS 275 0.900 56.452 9.925 18.145 -99.200 -91.000 TYR 287 0.840 54.451 15.493 13.725 -99.200 -91.000 PHE 292 1.000 68.296 16.447 12.574 -99.200 -91.000 PHE 298 1.000 68.272 4.449 7.870 -99.200 -91.000 PHE 301 1.000 65.138 1.597 3.383 -99.200 -91.000 PHE 310 1.000 53.673 8.410 8.243 -99.200 -91.000 PHE 319 1.000 68.755 20.318 4.277 -99.200 -91.000 HIS 320 0.900 70.526 13.419 0.367 -99.200 -91.000 PHE 335 1.000 60.332 21.508 7.640 -99.200 -91.000 PHE 355 1.000 64.585 24.173 8.262 -99.200 -91.000 HIS 359 0.900 53.793 21.454 15.375 -99.200 -91.000 TYR 373 0.840 70.241 14.543 22.513 -99.200 -91.000 HIS 375 0.900 74.897 22.540 18.059 -99.200 -91.000 PHE 392 1.000 61.465 7.272 17.446 -99.200 -91.000 PHE 400 1.000 74.014 9.630 21.504 -99.200 -91.000 TYR 418 0.840 58.372 0.027 18.322 -99.200 -91.000 TYR 450 0.840 75.070 3.383 14.151 -99.200 -91.000 TYR 457 0.840 78.427 8.972 19.393 -99.200 -91.000 PHE 459 1.000 77.780 3.220 19.888 -99.200 -91.000 TYR 472 0.840 71.429 -7.864 2.843 -99.200 -91.000 PHE 489 1.000 83.124 -4.261 1.187 -99.200 -91.000 PHE 505 1.000 80.455 -7.374 6.058 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3i5yA1 SER 88 HA 0.01 -0.10 0.16 -0.75 4.49 3.80 3i5yA1 SER 88 HB2 0.01 0.05 0.15 -0.04 3.95 4.12 3i5yA1 SER 88 HB3 0.00 0.02 0.02 -0.04 3.93 3.93 3i5yA1 LYS 89 H 0.02 0.38 0.19 -0.55 8.42 8.45 3i5yA1 LYS 89 HA 0.02 -0.00 0.37 -0.75 4.32 3.96 3i5yA1 LYS 89 HB2 0.02 -0.00 0.13 -0.04 1.87 1.98 3i5yA1 LYS 89 HB3 0.02 0.00 0.17 -0.04 1.79 1.95 3i5yA1 LYS 89 HG2 0.03 -0.01 -0.20 -0.04 1.46 1.23 3i5yA1 LYS 89 HG3 0.03 -0.02 0.00 -0.04 1.46 1.43 3i5yA1 LYS 89 HD2 0.02 0.00 -0.02 -0.04 1.69 1.66 3i5yA1 LYS 89 HD3 0.03 -0.01 -0.05 -0.04 1.68 1.60 3i5yA1 LYS 89 HE2 0.03 -0.00 -0.09 -0.04 2.99 2.89 3i5yA1 LYS 89 HE3 0.02 -0.01 -0.03 -0.04 2.99 2.93 3i5yA1 LEU 90 H 0.04 0.14 0.18 -0.55 8.37 8.19 3i5yA1 LEU 90 HA 0.02 0.28 0.92 -0.75 4.35 4.81 3i5yA1 LEU 90 HB2 0.04 0.13 -0.03 -0.04 1.64 1.73 3i5yA1 LEU 90 HB3 0.06 -0.07 0.18 -0.04 1.64 1.77 3i5yA1 LEU 90 HG -0.03 -0.06 -0.27 -0.04 1.64 1.24 3i5yA1 LEU 90 HD13 0.04 0.07 -0.14 -0.04 0.93 0.86 3i5yA1 LEU 90 HD23 0.10 -0.03 -0.04 -0.04 0.89 0.88 3i5yA1 ILE 91 H 0.02 0.61 0.19 -0.55 8.25 8.51 3i5yA1 ILE 91 HA 0.07 0.09 0.74 -0.75 4.18 4.32 3i5yA1 ILE 91 HB 0.02 -0.04 0.13 -0.04 1.89 1.96 3i5yA1 ILE 91 HG12 0.04 0.01 -0.11 -0.04 1.49 1.39 3i5yA1 ILE 91 HG13 0.03 -0.02 -0.16 -0.04 1.21 1.03 3i5yA1 ILE 91 HG23 0.04 0.02 -0.13 -0.04 0.93 0.82 3i5yA1 ILE 91 HD13 0.05 0.00 -0.08 -0.04 0.88 0.81 3i5yA1 HIS 92 H 0.19 0.17 0.19 -0.55 8.41 8.41 3i5yA1 HIS 92 HA -0.01 0.05 0.62 -0.75 4.63 4.53 3i5yA1 HIS 92 HB2 -0.05 -0.01 0.19 -0.04 3.26 3.36 3i5yA1 HIS 92 HB3 -0.09 0.00 -0.01 -0.04 3.20 3.06 3i5yA1 HIS 92 HD2 -0.04 0.11 0.03 -0.04 6.97 7.03 3i5yA1 HIS 92 HE1 -0.36 -0.06 -0.02 -0.04 7.75 7.27 3i5yA1 VAL 93 H 0.04 0.54 0.27 -0.55 8.24 8.54 3i5yA1 VAL 93 HA 0.04 0.14 0.75 -0.75 4.13 4.31 3i5yA1 VAL 93 HB 0.05 0.02 0.22 -0.04 2.12 2.36 3i5yA1 VAL 93 HG13 0.03 0.00 0.03 -0.04 0.97 1.00 3i5yA1 VAL 93 HG23 0.03 0.01 -0.16 -0.04 0.95 0.78 3i5yA1 PRO 94 HA 0.01 0.08 0.47 -0.51 4.44 4.49 3i5yA1 PRO 94 HB2 -0.01 0.03 0.05 -0.04 2.28 2.31 3i5yA1 PRO 94 HB3 -0.01 -0.03 0.09 -0.04 2.02 2.03 3i5yA1 PRO 94 HG2 -0.00 0.06 -0.06 -0.04 2.03 1.99 3i5yA1 PRO 94 HG3 -0.02 0.01 0.01 -0.04 2.03 1.99 3i5yA1 PRO 94 HD2 0.02 0.14 0.06 -0.04 3.68 3.86 3i5yA1 PRO 94 HD3 0.05 0.08 -0.25 -0.04 3.65 3.49 3i5yA1 LYS 95 H 0.00 0.01 0.07 -0.55 8.42 7.95 3i5yA1 LYS 95 HA 0.02 0.15 0.39 -0.75 4.32 4.12 3i5yA1 LYS 95 HB2 0.01 0.03 -0.27 -0.04 1.87 1.61 3i5yA1 LYS 95 HB3 0.00 -0.12 -0.02 -0.04 1.79 1.61 3i5yA1 LYS 95 HG2 0.01 0.03 -0.25 -0.04 1.46 1.21 3i5yA1 LYS 95 HG3 0.02 0.06 -0.03 -0.04 1.46 1.46 3i5yA1 LYS 95 HD2 0.01 -0.00 -0.24 -0.04 1.69 1.42 3i5yA1 LYS 95 HD3 0.00 -0.11 -0.12 -0.04 1.68 1.41 3i5yA1 LYS 95 HE2 0.01 -0.02 -0.07 -0.04 2.99 2.87 3i5yA1 LYS 95 HE3 0.01 0.08 0.04 -0.04 2.99 3.07 3i5yA1 GLU 96 H 0.02 0.23 0.24 -0.55 8.60 8.54 3i5yA1 GLU 96 HA 0.01 0.14 0.88 -0.75 4.29 4.56 3i5yA1 ASP 97 H 0.01 0.16 0.13 -0.55 8.40 8.14 3i5yA1 ASP 97 HA 0.01 0.24 0.79 -0.75 4.63 4.92 3i5yA1 ASN 98 H 0.01 -0.03 -0.05 -0.55 8.53 7.91 3i5yA1 ASN 98 HA 0.01 0.26 0.81 -0.75 4.76 5.09 3i5yA1 SER 99 H 0.01 0.01 -0.12 -0.55 8.46 7.82 3i5yA1 SER 99 HA 0.01 0.09 0.41 -0.75 4.49 4.25 3i5yA1 SER 99 HB2 0.02 0.10 -0.02 -0.04 3.95 4.00 3i5yA1 SER 99 HB3 0.02 0.01 0.06 -0.04 3.93 3.98 3i5yA1 LYS 100 H 0.02 0.09 0.11 -0.55 8.42 8.08 3i5yA1 LYS 100 HA 0.01 0.09 0.34 -0.75 4.32 4.01 3i5yA1 GLU 101 H 0.01 0.12 0.13 -0.55 8.60 8.32 3i5yA1 GLU 101 HA 0.02 0.04 0.33 -0.75 4.29 3.92 3i5yA1 GLU 101 HB2 0.01 0.03 0.12 -0.04 2.09 2.21 3i5yA1 GLU 101 HB3 0.02 -0.05 0.14 -0.04 1.99 2.06 3i5yA1 GLU 101 HG2 0.02 0.19 -0.12 -0.04 2.34 2.39 3i5yA1 GLU 101 HG3 0.02 -0.00 0.01 -0.04 2.34 2.33 3i5yA1 VAL 102 H 0.02 0.13 0.22 -0.55 8.24 8.07 3i5yA1 VAL 102 HA 0.03 0.06 0.62 -0.75 4.13 4.08 3i5yA1 VAL 102 HB 0.03 -0.05 0.10 -0.04 2.12 2.15 3i5yA1 VAL 102 HG13 0.03 0.00 -0.01 -0.04 0.97 0.96 3i5yA1 VAL 102 HG23 0.03 0.06 0.04 -0.04 0.95 1.04 3i5yA1 THR 103 H 0.03 0.18 0.20 -0.55 8.28 8.14 3i5yA1 THR 103 HA 0.03 0.19 0.81 -0.75 4.39 4.66 3i5yA1 THR 103 HB 0.03 -0.06 0.12 -0.04 4.32 4.37 3i5yA1 THR 103 HG23 0.02 0.08 -0.27 -0.04 1.22 1.01 3i5yA1 LEU 104 H 0.02 0.23 0.11 -0.55 8.37 8.19 3i5yA1 LEU 104 HA 0.06 0.11 0.41 -0.75 4.35 4.18 3i5yA1 LEU 104 HB2 -0.05 -0.00 0.12 -0.04 1.64 1.67 3i5yA1 LEU 104 HB3 -0.14 0.07 -0.03 -0.04 1.64 1.49 3i5yA1 LEU 104 HG -0.03 -0.05 -0.03 -0.04 1.64 1.48 3i5yA1 LEU 104 HD13 -0.18 0.05 -0.14 -0.04 0.93 0.61 3i5yA1 LEU 104 HD23 -0.08 0.01 -0.06 -0.04 0.89 0.72 3i5yA1 ASP 105 H 0.10 0.13 -0.06 -0.55 8.40 8.03 3i5yA1 ASP 105 HA 0.12 0.11 0.37 -0.75 4.63 4.48 3i5yA1 ASP 105 HB2 0.06 -0.05 0.08 -0.04 2.71 2.76 3i5yA1 ASP 105 HB3 0.04 0.06 -0.03 -0.04 2.70 2.73 3i5yA1 SER 106 H 0.04 0.04 -0.27 -0.55 8.46 7.73 3i5yA1 SER 106 HA 0.02 0.08 0.31 -0.75 4.49 4.13 3i5yA1 SER 106 HB2 0.02 0.07 0.04 -0.04 3.95 4.04 3i5yA1 SER 106 HB3 0.02 0.02 0.08 -0.04 3.93 4.02 3i5yA1 LEU 107 H 0.05 0.51 -0.15 -0.55 8.37 8.23 3i5yA1 LEU 107 HA 0.03 0.04 0.40 -0.75 4.35 4.07 3i5yA1 LEU 107 HB2 0.06 0.10 0.11 -0.04 1.64 1.87 3i5yA1 LEU 107 HB3 0.04 -0.08 -0.01 -0.04 1.64 1.55 3i5yA1 LEU 107 HG 0.04 0.02 0.04 -0.04 1.64 1.70 3i5yA1 LEU 107 HD13 0.04 -0.00 -0.13 -0.04 0.93 0.79 3i5yA1 LEU 107 HD23 0.04 0.01 -0.03 -0.04 0.89 0.86 3i5yA1 LEU 108 H 0.04 0.46 -0.26 -0.55 8.37 8.06 3i5yA1 LEU 108 HA -0.01 0.20 0.48 -0.75 4.35 4.26 3i5yA1 LEU 108 HB2 -0.16 -0.04 0.04 -0.04 1.64 1.44 3i5yA1 LEU 108 HB3 -0.16 0.10 0.19 -0.04 1.64 1.74 3i5yA1 LEU 108 HG -0.14 0.03 -0.25 -0.04 1.64 1.24 3i5yA1 LEU 108 HD13 -0.09 0.04 -0.18 -0.04 0.93 0.65 3i5yA1 LEU 108 HD23 -0.62 -0.02 -0.05 -0.04 0.89 0.16 3i5yA1 GLU 109 H -0.03 0.47 0.04 -0.55 8.60 8.54 3i5yA1 GLU 109 HA -0.03 0.04 0.36 -0.75 4.29 3.91 3i5yA1 GLU 109 HB2 -0.03 -0.03 0.10 -0.04 2.09 2.09 3i5yA1 GLU 109 HB3 -0.01 0.04 0.07 -0.04 1.99 2.05 3i5yA1 GLU 110 H 0.00 0.38 -0.32 -0.55 8.60 8.12 3i5yA1 GLU 110 HA 0.01 0.04 0.46 -0.75 4.29 4.04 3i5yA1 GLU 110 HB2 0.02 0.02 0.09 -0.04 2.09 2.17 3i5yA1 GLU 110 HB3 0.02 -0.03 0.10 -0.04 1.99 2.05 3i5yA1 GLU 110 HG2 0.02 0.02 -0.05 -0.04 2.34 2.29 3i5yA1 GLU 110 HG3 0.02 -0.02 0.06 -0.04 2.34 2.35 3i5yA1 GLY 111 H 0.01 0.36 -0.37 -0.55 8.43 7.89 3i5yA1 GLY 111 HA2 0.01 0.04 0.24 -0.51 4.01 3.79 3i5yA1 GLY 111 HA3 0.01 0.12 0.66 -0.51 4.01 4.29 3i5yA1 VAL 112 H 0.02 0.17 -0.04 -0.55 8.24 7.85 3i5yA1 VAL 112 HA 0.04 0.14 0.47 -0.75 4.13 4.02 3i5yA1 VAL 112 HB 0.04 -0.06 0.10 -0.04 2.12 2.15 3i5yA1 VAL 112 HG13 0.05 -0.01 -0.19 -0.04 0.97 0.77 3i5yA1 VAL 112 HG23 0.04 0.00 -0.08 -0.04 0.95 0.87 3i5yA1 LEU 113 H 0.03 0.35 -0.06 -0.55 8.37 8.15 3i5yA1 LEU 113 HA 0.04 0.15 0.81 -0.75 4.35 4.59 3i5yA1 LEU 113 HB2 0.05 -0.06 -0.22 -0.04 1.64 1.37 3i5yA1 LEU 113 HB3 0.07 0.01 -0.17 -0.04 1.64 1.50 3i5yA1 LEU 113 HG 0.04 -0.02 -0.10 -0.04 1.64 1.52 3i5yA1 LEU 113 HD13 0.04 0.04 -0.25 -0.04 0.93 0.71 3i5yA1 LEU 113 HD23 0.05 -0.02 -0.12 -0.04 0.89 0.76 3i5yA1 ASP 114 H 0.03 0.11 0.12 -0.55 8.40 8.11 3i5yA1 ASP 114 HA 0.01 0.23 0.61 -0.75 4.63 4.73 3i5yA1 ASP 114 HB2 0.02 0.19 0.08 -0.04 2.71 2.96 3i5yA1 ASP 114 HB3 0.03 -0.11 0.08 -0.04 2.70 2.65 3i5yA1 LYS 115 H 0.00 0.24 0.14 -0.55 8.42 8.24 3i5yA1 LYS 115 HA -0.02 0.08 0.32 -0.75 4.32 3.95 3i5yA1 GLU 116 H 0.03 0.11 -0.23 -0.55 8.60 7.96 3i5yA1 GLU 116 HA 0.02 0.11 0.30 -0.75 4.29 3.96 3i5yA1 GLU 116 HB2 0.07 0.03 -0.01 -0.04 2.09 2.14 3i5yA1 GLU 116 HB3 0.05 0.05 -0.04 -0.04 1.99 2.01 3i5yA1 GLU 116 HG2 0.04 -0.06 0.01 -0.04 2.34 2.28 3i5yA1 GLU 116 HG3 0.05 0.10 -0.03 -0.04 2.34 2.42 3i5yA1 ILE 117 H 0.03 0.15 -0.23 -0.55 8.25 7.65 3i5yA1 ILE 117 HA -0.08 0.17 0.62 -0.75 4.18 4.14 3i5yA1 ILE 117 HB 0.02 0.04 -0.01 -0.04 1.89 1.89 3i5yA1 ILE 117 HG12 0.01 0.12 0.00 -0.04 1.49 1.58 3i5yA1 ILE 117 HG13 -0.07 -0.06 -0.11 -0.04 1.21 0.94 3i5yA1 ILE 117 HG23 0.03 0.03 -0.01 -0.04 0.93 0.94 3i5yA1 ILE 117 HD13 -0.26 0.01 0.01 -0.04 0.88 0.60 3i5yA1 HIS 118 H 0.10 0.47 -0.11 -0.55 8.41 8.32 3i5yA1 HIS 118 HA -0.05 -0.01 0.43 -0.75 4.63 4.24 3i5yA1 HIS 118 HB2 -0.02 0.03 -0.04 -0.04 3.26 3.19 3i5yA1 HIS 118 HB3 -0.03 0.14 0.04 -0.04 3.20 3.32 3i5yA1 HIS 118 HD2 -0.02 0.14 -0.29 -0.04 6.97 6.75 3i5yA1 HIS 118 HE1 -0.03 0.03 -0.09 -0.04 7.75 7.62 3i5yA1 LYS 119 H 0.06 0.37 -0.37 -0.55 8.42 7.92 3i5yA1 LYS 119 HA -0.00 0.01 0.42 -0.75 4.32 3.99 3i5yA1 LYS 119 HB2 0.04 0.12 0.12 -0.04 1.87 2.11 3i5yA1 LYS 119 HB3 -0.02 0.14 0.09 -0.04 1.79 1.96 3i5yA1 LYS 119 HG2 -0.05 0.10 -0.04 -0.04 1.46 1.43 3i5yA1 LYS 119 HG3 -0.02 -0.05 0.06 -0.04 1.46 1.41 3i5yA1 LYS 119 HD2 0.00 -0.03 -0.03 -0.04 1.69 1.60 3i5yA1 LYS 119 HD3 -0.02 -0.03 -0.01 -0.04 1.68 1.59 3i5yA1 LYS 119 HE2 -0.04 0.00 0.00 -0.04 2.99 2.91 3i5yA1 LYS 119 HE3 -0.03 0.01 0.00 -0.04 2.99 2.93 3i5yA1 ALA 120 H -0.09 0.24 -0.29 -0.55 8.40 7.71 3i5yA1 ALA 120 HA -0.13 0.21 0.27 -0.75 4.34 3.94 3i5yA1 ALA 120 HB3 -0.17 0.03 0.06 -0.04 1.41 1.30 3i5yA1 ILE 121 H -0.20 0.31 -0.25 -0.55 8.25 7.57 3i5yA1 ILE 121 HA -0.30 0.12 0.54 -0.75 4.18 3.78 3i5yA1 ILE 121 HB -0.20 0.02 0.03 -0.04 1.89 1.69 3i5yA1 ILE 121 HG12 -0.21 0.24 0.02 -0.04 1.49 1.50 3i5yA1 ILE 121 HG13 -0.18 -0.07 -0.06 -0.04 1.21 0.86 3i5yA1 ILE 121 HG23 -0.15 -0.02 -0.09 -0.04 0.93 0.63 3i5yA1 ILE 121 HD13 -0.46 -0.00 -0.12 -0.04 0.88 0.26 3i5yA1 THR 122 H -0.28 0.49 -0.10 -0.55 8.28 7.85 3i5yA1 THR 122 HA -0.21 -0.01 0.51 -0.75 4.39 3.92 3i5yA1 THR 122 HB -0.23 0.13 0.16 -0.04 4.32 4.34 3i5yA1 THR 122 HG23 -0.10 -0.01 -0.09 -0.04 1.22 0.97 3i5yA1 ARG 123 H -0.18 0.41 -0.27 -0.55 8.46 7.86 3i5yA1 ARG 123 HA -0.14 0.01 0.35 -0.75 4.34 3.81 3i5yA1 ARG 123 HB2 -0.15 0.18 0.13 -0.04 1.90 2.02 3i5yA1 ARG 123 HB3 -0.14 -0.02 0.04 -0.04 1.80 1.65 3i5yA1 ARG 123 HG2 -0.10 -0.08 0.08 -0.04 1.67 1.53 3i5yA1 ARG 123 HG3 -0.10 -0.08 0.07 -0.04 1.67 1.52 3i5yA1 ARG 123 HD2 -0.11 0.21 0.09 -0.04 3.22 3.37 3i5yA1 ARG 123 HD3 -0.11 -0.02 0.10 -0.04 3.22 3.14 3i5yA1 MET 124 H -0.32 0.20 -0.63 -0.55 8.47 7.18 3i5yA1 MET 124 HA -0.33 0.10 0.57 -0.75 4.52 4.10 3i5yA1 MET 124 HB2 -0.83 0.12 0.05 -0.04 2.15 1.45 3i5yA1 MET 124 HB3 -1.14 -0.07 0.03 -0.04 2.03 0.81 3i5yA1 MET 124 HG2 -0.26 -0.01 -0.01 -0.04 2.63 2.31 3i5yA1 MET 124 HG3 -0.31 0.18 0.04 -0.04 2.56 2.43 3i5yA1 MET 124 HE3 -0.19 0.02 -0.18 -0.04 2.10 1.71 3i5yA1 GLU 125 H -0.30 0.45 -0.26 -0.55 8.60 7.94 3i5yA1 GLU 125 HA -0.15 0.05 0.28 -0.75 4.29 3.71 3i5yA1 GLU 125 HB2 -0.15 0.15 -0.17 -0.04 2.09 1.87 3i5yA1 GLU 125 HB3 -0.09 -0.08 0.12 -0.04 1.99 1.90 3i5yA1 PHE 126 H -0.23 0.08 -0.09 -0.55 8.34 7.54 3i5yA1 PHE 126 HA -0.03 0.19 0.74 -0.75 4.62 4.76 3i5yA1 PHE 126 HB2 -0.06 -0.06 0.02 -0.04 3.15 3.01 3i5yA1 PHE 126 HB3 -0.03 0.02 0.04 -0.04 3.06 3.06 3i5yA1 PHE 126 HD2 -0.07 0.02 -0.03 -0.04 7.28 7.16 3i5yA1 PHE 126 HE2 -0.12 -0.02 -0.03 -0.04 7.38 7.18 3i5yA1 PHE 126 HZ 0.11 -0.03 -0.03 -0.04 7.32 7.33 3i5yA1 PRO 127 HA 0.04 0.05 0.35 -0.51 4.44 4.36 3i5yA1 PRO 127 HB2 0.04 -0.06 0.02 -0.04 2.28 2.24 3i5yA1 PRO 127 HB3 0.03 0.01 0.06 -0.04 2.02 2.08 3i5yA1 PRO 127 HG2 0.05 0.02 0.07 -0.04 2.03 2.12 3i5yA1 PRO 127 HG3 0.05 0.06 0.10 -0.04 2.03 2.20 3i5yA1 PRO 127 HD2 0.15 0.05 0.21 -0.04 3.68 4.04 3i5yA1 PRO 127 HD3 0.14 0.28 0.26 -0.04 3.65 4.29 3i5yA1 GLY 128 H 0.06 0.19 -0.19 -0.55 8.43 7.95 3i5yA1 GLY 128 HA2 0.03 0.08 0.28 -0.51 4.01 3.90 3i5yA1 GLY 128 HA3 0.03 0.05 0.38 -0.51 4.01 3.95 3i5yA1 LEU 129 H 0.02 0.16 0.13 -0.55 8.37 8.14 3i5yA1 LEU 129 HA -0.00 0.11 0.75 -0.75 4.35 4.46 3i5yA1 LEU 129 HB2 0.02 0.11 0.00 -0.04 1.64 1.72 3i5yA1 LEU 129 HB3 0.01 -0.03 -0.09 -0.04 1.64 1.49 3i5yA1 LEU 129 HG 0.01 -0.13 -0.06 -0.04 1.64 1.42 3i5yA1 LEU 129 HD13 0.02 0.01 -0.30 -0.04 0.93 0.62 3i5yA1 LEU 129 HD23 0.01 0.03 -0.11 -0.04 0.89 0.77 3i5yA1 THR 130 H -0.03 0.08 0.09 -0.55 8.28 7.87 3i5yA1 THR 130 HA -0.01 0.19 0.38 -0.75 4.39 4.20 3i5yA1 THR 130 HB -0.01 0.04 0.19 -0.04 4.32 4.50 3i5yA1 THR 130 HG23 -0.10 0.01 -0.03 -0.04 1.22 1.06 3i5yA1 PRO 131 HA 0.03 0.13 0.42 -0.51 4.44 4.51 3i5yA1 PRO 131 HB2 0.04 -0.03 0.11 -0.04 2.28 2.35 3i5yA1 PRO 131 HB3 0.03 0.11 0.12 -0.04 2.02 2.23 3i5yA1 PRO 131 HG2 0.03 0.06 0.13 -0.04 2.03 2.21 3i5yA1 PRO 131 HG3 0.02 0.11 0.11 -0.04 2.03 2.23 3i5yA1 PRO 131 HD2 0.02 0.07 0.24 -0.04 3.68 3.97 3i5yA1 PRO 131 HD3 0.01 0.18 0.22 -0.04 3.65 4.02 3i5yA1 VAL 132 H 0.04 0.14 -0.12 -0.55 8.24 7.76 3i5yA1 VAL 132 HA 0.08 0.15 0.35 -0.75 4.13 3.95 3i5yA1 VAL 132 HB 0.09 -0.01 -0.02 -0.04 2.12 2.14 3i5yA1 VAL 132 HG13 0.05 -0.01 -0.19 -0.04 0.97 0.77 3i5yA1 VAL 132 HG23 0.23 0.02 -0.22 -0.04 0.95 0.93 3i5yA1 GLN 133 H 0.03 0.05 -0.34 -0.55 8.47 7.66 3i5yA1 GLN 133 HA 0.06 0.07 0.40 -0.75 4.36 4.14 3i5yA1 GLN 133 HB2 0.01 0.02 0.05 -0.04 2.15 2.19 3i5yA1 GLN 133 HB3 0.02 0.04 -0.09 -0.04 2.02 1.94 3i5yA1 GLN 133 HG2 0.02 0.03 -0.17 -0.04 2.40 2.23 3i5yA1 GLN 133 HG3 -0.00 -0.02 -0.05 -0.04 2.39 2.27 3i5yA1 GLN 133 HE21 -0.02 0.05 0.02 -0.04 6.97 6.98 3i5yA1 GLN 133 HE22 0.01 0.17 0.09 -0.04 7.69 7.92 3i5yA1 GLN 134 H 0.03 0.66 -0.23 -0.55 8.47 8.39 3i5yA1 GLN 134 HA 0.04 -0.03 0.31 -0.75 4.36 3.92 3i5yA1 GLN 134 HB2 0.03 0.12 0.08 -0.04 2.15 2.35 3i5yA1 GLN 134 HB3 0.03 -0.07 0.00 -0.04 2.02 1.94 3i5yA1 GLN 134 HG2 0.03 -0.05 -0.08 -0.04 2.40 2.25 3i5yA1 GLN 134 HG3 0.02 0.12 -0.21 -0.04 2.39 2.28 3i5yA1 GLN 134 HE21 0.02 -0.09 -0.02 -0.04 6.97 6.84 3i5yA1 GLN 134 HE22 0.02 0.40 -0.11 -0.04 7.69 7.96 3i5yA1 LYS 135 H 0.05 0.36 -0.33 -0.55 8.42 7.95 3i5yA1 LYS 135 HA 0.04 0.05 0.32 -0.75 4.32 3.98 3i5yA1 LYS 135 HB2 0.05 0.05 0.06 -0.04 1.87 1.98 3i5yA1 LYS 135 HB3 0.06 0.01 0.01 -0.04 1.79 1.83 3i5yA1 LYS 135 HG2 0.04 -0.03 -0.11 -0.04 1.46 1.32 3i5yA1 LYS 135 HG3 0.04 -0.02 0.06 -0.04 1.46 1.49 3i5yA1 LYS 135 HD2 0.04 -0.04 -0.06 -0.04 1.69 1.59 3i5yA1 LYS 135 HD3 0.05 -0.05 -0.28 -0.04 1.68 1.36 3i5yA1 LYS 135 HE2 0.05 -0.06 0.03 -0.04 2.99 2.97 3i5yA1 LYS 135 HE3 0.03 -0.06 -0.01 -0.04 2.99 2.91 3i5yA1 THR 136 H 0.08 0.29 -0.25 -0.55 8.28 7.85 3i5yA1 THR 136 HA 0.06 0.17 0.68 -0.75 4.39 4.56 3i5yA1 THR 136 HB 0.20 -0.02 -0.02 -0.04 4.32 4.44 3i5yA1 THR 136 HG23 0.15 0.01 -0.10 -0.04 1.22 1.24 3i5yA1 ILE 137 H 0.07 0.33 -0.03 -0.55 8.25 8.08 3i5yA1 ILE 137 HA 0.08 0.09 0.17 -0.75 4.18 3.77 3i5yA1 ILE 137 HB 0.05 -0.00 0.07 -0.04 1.89 1.97 3i5yA1 ILE 137 HG12 0.05 0.00 0.00 -0.04 1.49 1.50 3i5yA1 ILE 137 HG13 0.06 0.09 0.15 -0.04 1.21 1.47 3i5yA1 ILE 137 HG23 0.05 -0.02 -0.22 -0.04 0.93 0.70 3i5yA1 ILE 137 HD13 0.03 -0.04 -0.12 -0.04 0.88 0.71 3i5yA1 LYS 138 H 0.06 0.14 -0.16 -0.55 8.42 7.90 3i5yA1 LYS 138 HA 0.07 0.08 0.40 -0.75 4.32 4.12 3i5yA1 LYS 138 HB2 0.05 -0.06 0.03 -0.04 1.87 1.85 3i5yA1 LYS 138 HB3 0.05 0.06 0.05 -0.04 1.79 1.92 3i5yA1 LYS 138 HG2 0.06 0.03 -0.26 -0.04 1.46 1.25 3i5yA1 LYS 138 HG3 0.06 0.00 -0.07 -0.04 1.46 1.42 3i5yA1 LYS 138 HD2 0.04 -0.03 -0.04 -0.04 1.69 1.62 3i5yA1 LYS 138 HD3 0.04 -0.00 -0.04 -0.04 1.68 1.64 3i5yA1 LYS 138 HE2 0.05 -0.00 -0.07 -0.04 2.99 2.93 3i5yA1 LYS 138 HE3 0.04 0.02 -0.05 -0.04 2.99 2.96 3i5yA1 PRO 139 HA 0.15 0.01 0.49 -0.51 4.44 4.58 3i5yA1 PRO 139 HB2 0.02 0.08 0.07 -0.04 2.28 2.41 3i5yA1 PRO 139 HB3 -0.01 -0.02 0.04 -0.04 2.02 1.98 3i5yA1 PRO 139 HG2 0.03 0.27 0.12 -0.04 2.03 2.41 3i5yA1 PRO 139 HG3 0.05 -0.04 0.04 -0.04 2.03 2.04 3i5yA1 PRO 139 HD2 0.06 0.02 -0.29 -0.04 3.68 3.42 3i5yA1 PRO 139 HD3 0.06 0.03 0.00 -0.04 3.65 3.70 3i5yA1 ILE 140 H 0.10 0.65 -0.15 -0.55 8.25 8.31 3i5yA1 ILE 140 HA 0.18 0.01 0.32 -0.75 4.18 3.94 3i5yA1 ILE 140 HB 0.10 0.08 0.06 -0.04 1.89 2.09 3i5yA1 ILE 140 HG12 0.15 -0.08 -0.03 -0.04 1.49 1.48 3i5yA1 ILE 140 HG13 0.11 0.03 0.04 -0.04 1.21 1.35 3i5yA1 ILE 140 HG23 0.06 -0.02 -0.15 -0.04 0.93 0.78 3i5yA1 ILE 140 HD13 0.26 -0.06 -0.12 -0.04 0.88 0.92 3i5yA1 LEU 141 H 0.11 0.27 -0.33 -0.55 8.37 7.88 3i5yA1 LEU 141 HA 0.17 0.09 0.52 -0.75 4.35 4.38 3i5yA1 LEU 141 HB2 0.08 0.05 0.14 -0.04 1.64 1.87 3i5yA1 LEU 141 HB3 0.09 -0.06 0.07 -0.04 1.64 1.70 3i5yA1 LEU 141 HG 0.05 -0.06 -0.00 -0.04 1.64 1.59 3i5yA1 LEU 141 HD13 0.05 -0.02 -0.02 -0.04 0.93 0.91 3i5yA1 LEU 141 HD23 0.10 0.06 0.02 -0.04 0.89 1.03 3i5yA1 SER 142 H 0.15 0.29 -0.26 -0.55 8.46 8.10 3i5yA1 SER 142 HA 0.07 -0.11 0.38 -0.75 4.49 4.08 3i5yA1 SER 142 HB2 0.13 -0.02 0.11 -0.04 3.95 4.13 3i5yA1 SER 142 HB3 0.20 0.20 0.17 -0.04 3.93 4.46 3i5yA1 SER 143 H 0.02 0.03 0.19 -0.55 8.46 8.15 3i5yA1 SER 143 HA -0.01 0.23 0.45 -0.75 4.49 4.40 3i5yA1 SER 143 HB2 0.00 -0.01 0.16 -0.04 3.95 4.06 3i5yA1 SER 143 HB3 0.02 0.05 0.14 -0.04 3.93 4.11 3i5yA1 GLU 144 H -0.11 -0.05 -0.44 -0.55 8.60 7.45 3i5yA1 GLU 144 HA -0.11 -0.00 0.60 -0.75 4.29 4.02 3i5yA1 GLU 144 HB2 -0.34 0.07 -0.03 -0.04 2.09 1.75 3i5yA1 GLU 144 HB3 -0.19 -0.03 -0.11 -0.04 1.99 1.63 3i5yA1 GLU 144 HG2 -0.02 -0.01 0.00 -0.04 2.34 2.27 3i5yA1 GLU 144 HG3 -0.03 -0.04 -0.01 -0.04 2.34 2.21 3i5yA1 ASP 145 H -0.11 0.04 0.08 -0.55 8.40 7.86 3i5yA1 ASP 145 HA -0.12 0.25 0.39 -0.75 4.63 4.40 3i5yA1 ASP 145 HB2 -0.05 0.01 0.15 -0.04 2.71 2.77 3i5yA1 ASP 145 HB3 -0.04 -0.12 0.27 -0.04 2.70 2.77 3i5yA1 HIS 146 H -0.21 0.60 0.21 -0.55 8.41 8.46 3i5yA1 HIS 146 HA -0.01 0.10 0.94 -0.75 4.63 4.91 3i5yA1 HIS 146 HB2 -0.00 -0.01 -0.12 -0.04 3.26 3.09 3i5yA1 HIS 146 HB3 0.00 -0.12 -0.29 -0.04 3.20 2.75 3i5yA1 HIS 146 HD2 0.02 -0.12 -0.14 -0.04 6.97 6.68 3i5yA1 HIS 146 HE1 0.05 0.38 0.02 -0.04 7.75 8.16 3i5yA1 ASP 147 H 0.06 0.50 0.30 -0.55 8.40 8.72 3i5yA1 ASP 147 HA 0.04 0.13 0.92 -0.75 4.63 4.96 3i5yA1 ASP 147 HB2 -0.03 0.00 0.13 -0.04 2.71 2.78 3i5yA1 ASP 147 HB3 -0.04 0.11 0.21 -0.04 2.70 2.94 3i5yA1 VAL 148 H -0.06 0.62 0.37 -0.55 8.24 8.63 3i5yA1 VAL 148 HA -0.18 0.22 1.04 -0.75 4.13 4.45 3i5yA1 VAL 148 HB -0.06 -0.05 0.09 -0.04 2.12 2.06 3i5yA1 VAL 148 HG13 -0.19 -0.03 -0.20 -0.04 0.97 0.51 3i5yA1 VAL 148 HG23 -0.11 0.02 -0.29 -0.04 0.95 0.53 3i5yA1 ILE 149 H -0.27 0.88 0.37 -0.55 8.25 8.68 3i5yA1 ILE 149 HA -0.40 0.16 0.97 -0.75 4.18 4.15 3i5yA1 ILE 149 HB -0.81 -0.03 0.05 -0.04 1.89 1.07 3i5yA1 ILE 149 HG12 -0.26 -0.01 -0.09 -0.04 1.49 1.09 3i5yA1 ILE 149 HG13 -0.25 0.05 -0.27 -0.04 1.21 0.70 3i5yA1 ILE 149 HG23 -0.65 -0.03 -0.18 -0.04 0.93 0.03 3i5yA1 ILE 149 HD13 -0.24 -0.01 -0.17 -0.04 0.88 0.41 3i5yA1 ALA 150 H -0.55 0.50 0.23 -0.55 8.40 8.03 3i5yA1 ALA 150 HA -0.23 0.36 0.91 -0.75 4.34 4.62 3i5yA1 ALA 150 HB3 -0.69 -0.00 -0.07 -0.04 1.41 0.61 3i5yA1 ARG 151 H 0.03 0.49 0.23 -0.55 8.46 8.65 3i5yA1 ARG 151 HA 0.05 0.34 1.06 -0.75 4.34 5.03 3i5yA1 ARG 151 HB2 0.13 -0.03 -0.09 -0.04 1.90 1.87 3i5yA1 ARG 151 HB3 0.19 -0.06 0.13 -0.04 1.80 2.02 3i5yA1 ARG 151 HG2 0.09 -0.04 -0.25 -0.04 1.67 1.44 3i5yA1 ARG 151 HG3 0.09 -0.01 -0.16 -0.04 1.67 1.55 3i5yA1 ARG 151 HD2 0.08 0.03 -0.07 -0.04 3.22 3.23 3i5yA1 ARG 151 HD3 0.16 0.17 0.01 -0.04 3.22 3.52 3i5yA1 ALA 152 H 0.11 0.40 0.18 -0.55 8.40 8.54 3i5yA1 ALA 152 HA 0.08 0.11 0.54 -0.75 4.34 4.32 3i5yA1 ALA 152 HB3 0.10 -0.00 -0.06 -0.04 1.41 1.41 3i5yA1 LYS 153 H 0.08 0.12 0.09 -0.55 8.42 8.16 3i5yA1 LYS 153 HA 0.07 0.14 0.24 -0.75 4.32 4.01 3i5yA1 LYS 153 HB2 0.20 -0.03 0.05 -0.04 1.87 2.05 3i5yA1 LYS 153 HB3 0.22 0.07 0.12 -0.04 1.79 2.16 3i5yA1 LYS 153 HG2 0.05 0.05 0.01 -0.04 1.46 1.53 3i5yA1 LYS 153 HG3 0.06 -0.06 0.05 -0.04 1.46 1.46 3i5yA1 LYS 153 HD2 -0.06 -0.11 0.06 -0.04 1.69 1.54 3i5yA1 LYS 153 HD3 0.04 0.15 -0.14 -0.04 1.68 1.69 3i5yA1 LYS 153 HE2 -0.00 -0.00 -0.01 -0.04 2.99 2.94 3i5yA1 LYS 153 HE3 -0.04 -0.09 0.04 -0.04 2.99 2.86 3i5yA1 THR 154 H 0.05 0.18 0.18 -0.55 8.28 8.14 3i5yA1 THR 154 HA 0.03 -0.12 0.55 -0.75 4.39 4.10 3i5yA1 THR 154 HB 0.00 0.23 0.14 -0.04 4.32 4.65 3i5yA1 THR 154 HG23 0.02 -0.01 0.08 -0.04 1.22 1.27 3i5yA1 GLY 155 H -0.03 -0.01 0.24 -0.55 8.43 8.09 3i5yA1 GLY 155 HA2 -0.08 0.04 0.32 -0.51 4.01 3.78 3i5yA1 GLY 155 HA3 -0.13 0.25 0.32 -0.51 4.01 3.95 3i5yA1 THR 156 H -0.02 0.24 -0.04 -0.55 8.28 7.91 3i5yA1 THR 156 HA -0.04 0.26 0.79 -0.75 4.39 4.64 3i5yA1 THR 156 HB 0.02 -0.04 0.17 -0.04 4.32 4.42 3i5yA1 THR 156 HG23 0.07 0.07 -0.20 -0.04 1.22 1.12 3i5yA1 GLY 157 H -0.09 0.07 -0.19 -0.55 8.43 7.68 3i5yA1 GLY 157 HA2 -0.17 0.07 0.23 -0.51 4.01 3.63 3i5yA1 GLY 157 HA3 -0.11 0.17 0.19 -0.51 4.01 3.75 3i5yA1 LYS 158 H -0.07 0.08 -0.13 -0.55 8.42 7.75 3i5yA1 LYS 158 HA -0.08 0.12 0.28 -0.75 4.32 3.88 3i5yA1 LYS 158 HB2 -0.03 -0.05 -0.03 -0.04 1.87 1.72 3i5yA1 LYS 158 HB3 -0.06 0.07 -0.12 -0.04 1.79 1.63 3i5yA1 LYS 158 HG2 0.22 0.07 -0.14 -0.04 1.46 1.56 3i5yA1 LYS 158 HG3 0.07 -0.03 -0.16 -0.04 1.46 1.31 3i5yA1 LYS 158 HD2 0.32 -0.04 -0.15 -0.04 1.69 1.77 3i5yA1 LYS 158 HD3 0.20 0.03 -0.14 -0.04 1.68 1.72 3i5yA1 LYS 158 HE2 0.08 -0.06 -0.11 -0.04 2.99 2.85 3i5yA1 LYS 158 HE3 0.14 -0.20 -0.23 -0.04 2.99 2.65 3i5yA1 THR 159 H -0.32 0.04 -0.37 -0.55 8.28 7.08 3i5yA1 THR 159 HA -1.06 0.08 0.25 -0.75 4.39 2.91 3i5yA1 THR 159 HB -0.71 -0.01 0.03 -0.04 4.32 3.59 3i5yA1 THR 159 HG23 -0.55 0.03 -0.12 -0.04 1.22 0.53 3i5yA1 PHE 160 H -0.45 0.16 -0.12 -0.55 8.34 7.37 3i5yA1 PHE 160 HA -0.28 0.01 0.45 -0.75 4.62 4.05 3i5yA1 PHE 160 HB2 -0.15 0.05 0.04 -0.04 3.15 3.04 3i5yA1 PHE 160 HB3 -0.10 0.03 0.01 -0.04 3.06 2.96 3i5yA1 PHE 160 HD2 -0.12 -0.03 -0.05 -0.04 7.28 7.05 3i5yA1 PHE 160 HE2 0.04 0.08 -0.10 -0.04 7.38 7.36 3i5yA1 PHE 160 HZ 0.01 0.08 -0.05 -0.04 7.32 7.32 3i5yA1 ALA 161 H -0.19 0.29 -0.40 -0.55 8.40 7.55 3i5yA1 ALA 161 HA 0.01 0.02 0.47 -0.75 4.34 4.08 3i5yA1 ALA 161 HB3 -0.04 0.06 -0.08 -0.04 1.41 1.30 3i5yA1 PHE 162 H -0.63 0.38 -0.34 -0.55 8.34 7.20 3i5yA1 PHE 162 HA -0.05 0.28 0.93 -0.75 4.62 5.02 3i5yA1 PHE 162 HB2 -0.09 0.01 -0.04 -0.04 3.15 2.99 3i5yA1 PHE 162 HB3 -0.35 -0.01 -0.12 -0.04 3.06 2.55 3i5yA1 PHE 162 HD2 -0.66 0.00 -0.25 -0.04 7.28 6.33 3i5yA1 PHE 162 HE2 -0.21 -0.09 -0.15 -0.04 7.38 6.89 3i5yA1 PHE 162 HZ -0.15 -0.08 -0.08 -0.04 7.32 6.96 3i5yA1 LEU 163 H -0.41 0.39 0.17 -0.55 8.37 7.98 3i5yA1 LEU 163 HA 0.14 0.09 0.42 -0.75 4.35 4.24 3i5yA1 LEU 163 HB2 0.09 -0.07 0.02 -0.04 1.64 1.64 3i5yA1 LEU 163 HB3 0.26 0.04 -0.07 -0.04 1.64 1.83 3i5yA1 LEU 163 HG -0.37 0.03 -0.07 -0.04 1.64 1.19 3i5yA1 LEU 163 HD13 -0.04 0.00 -0.17 -0.04 0.93 0.69 3i5yA1 LEU 163 HD23 0.15 0.01 -0.10 -0.04 0.89 0.92 3i5yA1 ILE 164 H 0.06 0.42 -0.18 -0.55 8.25 7.99 3i5yA1 ILE 164 HA 0.09 0.03 0.39 -0.75 4.18 3.93 3i5yA1 ILE 164 HB 0.03 0.21 0.06 -0.04 1.89 2.15 3i5yA1 ILE 164 HG12 -0.09 -0.02 -0.04 -0.04 1.49 1.31 3i5yA1 ILE 164 HG13 0.01 -0.08 0.02 -0.04 1.21 1.11 3i5yA1 ILE 164 HG23 0.02 -0.02 -0.23 -0.04 0.93 0.65 3i5yA1 ILE 164 HD13 -0.06 -0.01 -0.09 -0.04 0.88 0.67 3i5yA1 PRO 165 HA 0.03 0.06 0.47 -0.51 4.44 4.48 3i5yA1 PRO 165 HB2 -0.07 0.08 -0.16 -0.04 2.28 2.09 3i5yA1 PRO 165 HB3 0.03 0.13 0.05 -0.04 2.02 2.19 3i5yA1 PRO 165 HG2 0.06 0.05 -0.00 -0.04 2.03 2.10 3i5yA1 PRO 165 HG3 0.08 0.10 -0.00 -0.04 2.03 2.17 3i5yA1 PRO 165 HD2 0.04 -0.06 -0.35 -0.04 3.68 3.27 3i5yA1 PRO 165 HD3 0.05 0.05 -0.06 -0.04 3.65 3.65 3i5yA1 ILE 166 H 0.00 0.38 -0.44 -0.55 8.25 7.64 3i5yA1 ILE 166 HA -0.24 0.09 0.38 -0.75 4.18 3.65 3i5yA1 ILE 166 HB -0.00 0.03 0.11 -0.04 1.89 1.99 3i5yA1 ILE 166 HG12 -0.27 0.01 -0.05 -0.04 1.49 1.14 3i5yA1 ILE 166 HG13 -0.13 0.11 -0.03 -0.04 1.21 1.12 3i5yA1 ILE 166 HG23 -0.16 -0.01 -0.19 -0.04 0.93 0.53 3i5yA1 ILE 166 HD13 0.05 -0.05 -0.17 -0.04 0.88 0.67 3i5yA1 PHE 167 H 0.18 0.53 -0.11 -0.55 8.34 8.38 3i5yA1 PHE 167 HA -0.11 0.06 0.39 -0.75 4.62 4.21 3i5yA1 PHE 167 HB2 -0.02 0.12 0.18 -0.04 3.15 3.38 3i5yA1 PHE 167 HB3 -0.05 -0.10 -0.04 -0.04 3.06 2.84 3i5yA1 PHE 167 HD2 0.03 0.09 0.02 -0.04 7.28 7.38 3i5yA1 PHE 167 HE2 0.19 0.05 0.00 -0.04 7.38 7.58 3i5yA1 PHE 167 HZ -0.09 0.06 -0.04 -0.04 7.32 7.20 3i5yA1 GLN 168 H 0.09 0.45 -0.24 -0.55 8.47 8.22 3i5yA1 GLN 168 HA 0.01 -0.12 0.42 -0.75 4.36 3.92 3i5yA1 GLN 168 HB2 0.05 -0.07 0.13 -0.04 2.15 2.22 3i5yA1 GLN 168 HB3 0.05 0.21 0.13 -0.04 2.02 2.37 3i5yA1 GLN 168 HG2 0.04 0.22 0.11 -0.04 2.40 2.74 3i5yA1 GLN 168 HG3 0.04 0.03 -0.08 -0.04 2.39 2.34 3i5yA1 GLN 168 HE21 0.01 -0.14 0.01 -0.04 6.97 6.81 3i5yA1 GLN 168 HE22 0.01 0.10 0.04 -0.04 7.69 7.81 3i5yA1 HIS 169 H 0.06 0.50 -0.22 -0.55 8.41 8.21 3i5yA1 HIS 169 HA 0.01 0.01 0.47 -0.75 4.63 4.36 3i5yA1 HIS 169 HB2 0.01 0.04 0.10 -0.04 3.26 3.38 3i5yA1 HIS 169 HB3 -0.07 0.12 0.14 -0.04 3.20 3.35 3i5yA1 HIS 169 HD2 0.10 0.01 -0.17 -0.04 6.97 6.87 3i5yA1 HIS 169 HE1 0.08 -0.01 -0.00 -0.04 7.75 7.78 3i5yA1 LEU 170 H -0.12 0.43 -0.19 -0.55 8.37 7.94 3i5yA1 LEU 170 HA -0.20 0.10 0.42 -0.75 4.35 3.92 3i5yA1 LEU 170 HB2 -0.64 0.07 0.12 -0.04 1.64 1.15 3i5yA1 LEU 170 HB3 -0.49 -0.01 0.04 -0.04 1.64 1.14 3i5yA1 LEU 170 HG -0.19 0.25 0.00 -0.04 1.64 1.67 3i5yA1 LEU 170 HD13 -0.36 -0.04 -0.10 -0.04 0.93 0.39 3i5yA1 LEU 170 HD23 -0.02 0.00 -0.03 -0.04 0.89 0.80 3i5yA1 ILE 171 H -0.26 0.39 -0.23 -0.55 8.25 7.60 3i5yA1 ILE 171 HA -0.16 0.04 0.53 -0.75 4.18 3.83 3i5yA1 ILE 171 HB -0.07 0.10 0.23 -0.04 1.89 2.11 3i5yA1 ILE 171 HG12 0.05 -0.02 -0.01 -0.04 1.49 1.46 3i5yA1 ILE 171 HG13 -0.33 0.24 0.01 -0.04 1.21 1.09 3i5yA1 ILE 171 HG23 0.01 -0.05 -0.06 -0.04 0.93 0.79 3i5yA1 ILE 171 HD13 0.06 -0.07 -0.09 -0.04 0.88 0.75 3i5yA1 ASN 172 H -0.10 0.76 0.13 -0.55 8.53 8.78 3i5yA1 ASN 172 HA -0.04 -0.08 0.41 -0.75 4.76 4.30 3i5yA1 ASN 172 HB2 -0.14 0.14 0.19 -0.04 2.88 3.04 3i5yA1 ASN 172 HB3 -0.06 -0.05 0.02 -0.04 2.79 2.66 3i5yA1 ASN 172 HD21 0.05 0.00 -0.00 -0.04 7.03 7.05 3i5yA1 ASN 172 HD22 0.07 0.03 0.01 -0.04 7.74 7.81 3i5yA1 THR 173 H -0.22 0.41 -0.57 -0.55 8.28 7.35 3i5yA1 THR 173 HA -0.08 0.06 0.85 -0.75 4.39 4.46 3i5yA1 THR 173 HB -0.11 -0.09 0.18 -0.04 4.32 4.27 3i5yA1 THR 173 HG23 -0.25 -0.01 -0.08 -0.04 1.22 0.84 3i5yA1 LYS 174 H -0.19 0.42 -0.18 -0.55 8.42 7.91 3i5yA1 LYS 174 HA -0.09 0.21 0.29 -0.75 4.32 3.97 3i5yA1 LYS 174 HB2 -0.19 -0.08 0.10 -0.04 1.87 1.66 3i5yA1 LYS 174 HB3 -0.08 0.10 0.26 -0.04 1.79 2.03 3i5yA1 LYS 174 HG2 -0.53 0.06 0.11 -0.04 1.46 1.07 3i5yA1 LYS 174 HG3 -1.59 -0.08 -0.07 -0.04 1.46 -0.32 3i5yA1 LYS 174 HD2 -0.13 0.01 0.08 -0.04 1.69 1.61 3i5yA1 LYS 174 HD3 -0.33 -0.08 0.02 -0.04 1.68 1.26 3i5yA1 LYS 174 HE2 -0.45 -0.04 -0.02 -0.04 2.99 2.44 3i5yA1 LYS 174 HE3 -0.21 0.06 0.00 -0.04 2.99 2.79 3i5yA1 PHE 175 H -0.17 0.07 -0.20 -0.55 8.34 7.48 3i5yA1 PHE 175 HA -0.07 0.13 0.59 -0.75 4.62 4.52 3i5yA1 PHE 175 HB2 -0.03 0.01 0.01 -0.04 3.15 3.10 3i5yA1 PHE 175 HB3 -0.04 -0.04 0.11 -0.04 3.06 3.05 3i5yA1 PHE 175 HD2 -0.03 0.03 0.01 -0.04 7.28 7.26 3i5yA1 PHE 175 HE2 -0.01 -0.01 -0.00 -0.04 7.38 7.32 3i5yA1 PHE 175 HZ 0.00 -0.03 -0.00 -0.04 7.32 7.24 3i5yA1 ASP 176 H -0.02 0.44 -0.28 -0.55 8.40 7.99 3i5yA1 ASP 176 HA -0.03 0.01 0.77 -0.75 4.63 4.62 3i5yA1 ASP 176 HB2 -0.03 0.17 0.13 -0.04 2.71 2.94 3i5yA1 ASP 176 HB3 -0.03 -0.02 0.02 -0.04 2.70 2.63 3i5yA1 SER 177 H -0.16 0.09 0.16 -0.55 8.46 8.00 3i5yA1 SER 177 HA -0.32 -0.05 0.32 -0.75 4.49 3.68 3i5yA1 SER 177 HB2 -0.21 0.25 -0.08 -0.04 3.95 3.87 3i5yA1 SER 177 HB3 -0.67 -0.03 0.08 -0.04 3.93 3.27 3i5yA1 GLN 178 H -0.27 0.03 -0.19 -0.55 8.47 7.49 3i5yA1 GLN 178 HA -0.14 0.23 0.14 -0.75 4.36 3.83 3i5yA1 GLN 178 HB2 -0.24 0.02 0.12 -0.04 2.15 2.01 3i5yA1 GLN 178 HB3 -0.20 0.19 0.02 -0.04 2.02 1.99 3i5yA1 GLN 178 HG2 -1.35 -0.02 -0.11 -0.04 2.40 0.88 3i5yA1 GLN 178 HG3 -0.51 -0.03 -0.02 -0.04 2.39 1.79 3i5yA1 GLN 178 HE21 -0.09 -0.04 0.04 -0.04 6.97 6.83 3i5yA1 GLN 178 HE22 -0.23 -0.02 0.01 -0.04 7.69 7.41 3i5yA1 TYR 179 H -0.24 -0.08 -0.38 -0.55 8.29 7.05 3i5yA1 TYR 179 HA -0.00 0.36 0.87 -0.75 4.56 5.04 3i5yA1 TYR 179 HB2 -0.03 -0.06 0.03 -0.04 3.06 2.95 3i5yA1 TYR 179 HB3 0.00 0.02 0.18 -0.04 2.98 3.15 3i5yA1 TYR 179 HD2 -0.02 0.09 -0.03 -0.04 7.15 7.15 3i5yA1 TYR 179 HE2 -0.01 -0.02 -0.02 -0.04 6.85 6.75 3i5yA1 MET 180 H -0.02 0.47 -0.24 -0.55 8.47 8.13 3i5yA1 MET 180 HA 0.09 0.14 0.95 -0.75 4.52 4.95 3i5yA1 MET 180 HB2 -0.05 0.18 0.03 -0.04 2.15 2.26 3i5yA1 MET 180 HB3 0.18 -0.04 -0.06 -0.04 2.03 2.07 3i5yA1 MET 180 HG2 -0.12 -0.19 -0.28 -0.04 2.63 2.00 3i5yA1 MET 180 HG3 -0.41 -0.09 -0.09 -0.04 2.56 1.93 3i5yA1 MET 180 HE3 0.06 -0.04 -0.05 -0.04 2.10 2.03 3i5yA1 VAL 181 H -0.03 0.33 0.21 -0.55 8.24 8.20 3i5yA1 VAL 181 HA -0.03 0.05 0.45 -0.75 4.13 3.84 3i5yA1 VAL 181 HB -0.33 0.01 0.06 -0.04 2.12 1.81 3i5yA1 VAL 181 HG13 0.01 -0.06 -0.32 -0.04 0.97 0.55 3i5yA1 VAL 181 HG23 -0.46 -0.01 -0.10 -0.04 0.95 0.34 3i5yA1 LYS 182 H 0.04 0.50 0.40 -0.55 8.42 8.80 3i5yA1 LYS 182 HA 0.13 0.20 0.91 -0.75 4.32 4.80 3i5yA1 LYS 182 HB2 0.09 0.02 0.12 -0.04 1.87 2.07 3i5yA1 LYS 182 HB3 0.21 -0.10 0.14 -0.04 1.79 2.00 3i5yA1 LYS 182 HG2 0.09 0.04 -0.15 -0.04 1.46 1.41 3i5yA1 LYS 182 HG3 0.04 0.21 0.08 -0.04 1.46 1.75 3i5yA1 LYS 182 HD2 0.02 -0.09 -0.01 -0.04 1.69 1.57 3i5yA1 LYS 182 HD3 0.09 -0.08 0.00 -0.04 1.68 1.65 3i5yA1 LYS 182 HE2 -0.03 -0.00 -0.01 -0.04 2.99 2.91 3i5yA1 LYS 182 HE3 -0.03 0.00 -0.01 -0.04 2.99 2.91 3i5yA1 ALA 183 H 0.05 0.41 0.25 -0.55 8.40 8.56 3i5yA1 ALA 183 HA 0.11 0.29 0.97 -0.75 4.34 4.96 3i5yA1 ALA 183 HB3 0.01 -0.01 0.03 -0.04 1.41 1.40 3i5yA1 VAL 184 H 0.07 0.66 0.31 -0.55 8.24 8.74 3i5yA1 VAL 184 HA 0.07 0.22 1.08 -0.75 4.13 4.74 3i5yA1 VAL 184 HB 0.07 0.02 0.17 -0.04 2.12 2.34 3i5yA1 VAL 184 HG13 0.05 -0.03 -0.23 -0.04 0.97 0.72 3i5yA1 VAL 184 HG23 0.25 0.01 -0.20 -0.04 0.95 0.97 3i5yA1 ILE 185 H 0.01 0.76 0.34 -0.55 8.25 8.81 3i5yA1 ILE 185 HA -0.11 0.13 0.97 -0.75 4.18 4.41 3i5yA1 ILE 185 HB -0.01 -0.08 0.20 -0.04 1.89 1.96 3i5yA1 ILE 185 HG12 -0.08 0.02 -0.15 -0.04 1.49 1.23 3i5yA1 ILE 185 HG13 0.00 0.10 -0.12 -0.04 1.21 1.15 3i5yA1 ILE 185 HG23 -0.15 -0.02 -0.11 -0.04 0.93 0.61 3i5yA1 ILE 185 HD13 0.19 -0.01 -0.13 -0.04 0.88 0.89 3i5yA1 VAL 186 H -0.11 0.84 0.44 -0.55 8.24 8.86 3i5yA1 VAL 186 HA -0.07 0.24 1.01 -0.75 4.13 4.56 3i5yA1 VAL 186 HB -0.10 0.02 0.11 -0.04 2.12 2.12 3i5yA1 VAL 186 HG13 -0.12 -0.03 -0.10 -0.04 0.97 0.67 3i5yA1 VAL 186 HG23 -0.05 0.02 -0.21 -0.04 0.95 0.66 3i5yA1 ALA 187 H -0.10 0.57 0.41 -0.55 8.40 8.74 3i5yA1 ALA 187 HA -0.13 0.27 0.71 -0.75 4.34 4.44 3i5yA1 ALA 187 HB3 -0.05 -0.02 -0.09 -0.04 1.41 1.21 3i5yA1 PRO 188 HA -0.58 0.11 0.44 -0.51 4.44 3.90 3i5yA1 PRO 188 HB2 0.01 -0.00 -0.02 -0.04 2.28 2.23 3i5yA1 PRO 188 HB3 -0.25 0.06 0.04 -0.04 2.02 1.83 3i5yA1 PRO 188 HG2 -0.05 -0.01 0.03 -0.04 2.03 1.95 3i5yA1 PRO 188 HG3 -0.08 0.02 0.05 -0.04 2.03 1.98 3i5yA1 PRO 188 HD2 -0.08 0.05 0.12 -0.04 3.68 3.73 3i5yA1 PRO 188 HD3 -0.15 0.40 0.15 -0.04 3.65 4.01 3i5yA1 THR 189 H -0.03 0.17 -0.09 -0.55 8.28 7.78 3i5yA1 THR 189 HA 0.06 0.22 0.82 -0.75 4.39 4.73 3i5yA1 THR 189 HB 0.06 -0.07 0.16 -0.04 4.32 4.43 3i5yA1 THR 189 HG23 0.05 0.09 -0.06 -0.04 1.22 1.26 3i5yA1 ARG 190 H 0.06 0.21 0.15 -0.55 8.46 8.33 3i5yA1 ARG 190 HA 0.03 0.10 0.33 -0.75 4.34 4.04 3i5yA1 ARG 190 HB2 0.07 -0.01 0.11 -0.04 1.90 2.03 3i5yA1 ARG 190 HB3 0.05 0.11 -0.02 -0.04 1.80 1.90 3i5yA1 ARG 190 HG2 0.04 -0.10 0.10 -0.04 1.67 1.67 3i5yA1 ARG 190 HG3 0.05 -0.05 0.11 -0.04 1.67 1.75 3i5yA1 ARG 190 HD2 0.06 -0.02 0.03 -0.04 3.22 3.25 3i5yA1 ARG 190 HD3 0.05 0.18 0.01 -0.04 3.22 3.43 3i5yA1 ASP 191 H 0.10 0.10 -0.07 -0.55 8.40 7.98 3i5yA1 ASP 191 HA 0.07 0.12 0.29 -0.75 4.63 4.35 3i5yA1 ASP 191 HB2 0.21 0.05 -0.11 -0.04 2.71 2.82 3i5yA1 ASP 191 HB3 0.14 0.13 -0.04 -0.04 2.70 2.89 3i5yA1 LEU 192 H 0.04 0.06 -0.56 -0.55 8.37 7.36 3i5yA1 LEU 192 HA -0.02 0.17 0.56 -0.75 4.35 4.30 3i5yA1 LEU 192 HB2 0.01 0.08 -0.01 -0.04 1.64 1.67 3i5yA1 LEU 192 HB3 -0.01 -0.01 -0.01 -0.04 1.64 1.58 3i5yA1 LEU 192 HG -0.02 0.02 -0.21 -0.04 1.64 1.40 3i5yA1 LEU 192 HD13 -0.04 -0.01 -0.13 -0.04 0.93 0.71 3i5yA1 LEU 192 HD23 -0.03 0.01 -0.16 -0.04 0.89 0.67 3i5yA1 ALA 193 H 0.00 0.34 -0.17 -0.55 8.40 8.03 3i5yA1 ALA 193 HA -0.01 0.06 0.38 -0.75 4.34 4.02 3i5yA1 ALA 193 HB3 -0.00 0.06 -0.11 -0.04 1.41 1.31 3i5yA1 LEU 194 H 0.01 0.55 -0.14 -0.55 8.37 8.25 3i5yA1 LEU 194 HA 0.00 0.05 0.36 -0.75 4.35 4.01 3i5yA1 LEU 194 HB2 0.02 0.02 0.01 -0.04 1.64 1.64 3i5yA1 LEU 194 HB3 0.01 0.04 -0.02 -0.04 1.64 1.62 3i5yA1 LEU 194 HG 0.02 0.07 -0.09 -0.04 1.64 1.60 3i5yA1 LEU 194 HD13 0.03 -0.02 -0.13 -0.04 0.93 0.77 3i5yA1 LEU 194 HD23 0.01 0.00 -0.11 -0.04 0.89 0.75 3i5yA1 GLN 195 H -0.02 0.25 -0.48 -0.55 8.47 7.67 3i5yA1 GLN 195 HA -0.05 0.10 0.49 -0.75 4.36 4.15 3i5yA1 GLN 195 HB2 -0.08 0.07 0.09 -0.04 2.15 2.18 3i5yA1 GLN 195 HB3 -0.06 0.03 0.09 -0.04 2.02 2.03 3i5yA1 GLN 195 HG2 -0.12 -0.05 -0.26 -0.04 2.40 1.93 3i5yA1 GLN 195 HG3 -0.11 0.05 0.02 -0.04 2.39 2.31 3i5yA1 GLN 195 HE21 -0.14 0.45 -0.06 -0.04 6.97 7.19 3i5yA1 GLN 195 HE22 -0.12 -0.08 -0.12 -0.04 7.69 7.32 3i5yA1 ILE 196 H -0.02 0.44 -0.28 -0.55 8.25 7.84 3i5yA1 ILE 196 HA -0.09 0.01 0.37 -0.75 4.18 3.73 3i5yA1 ILE 196 HB 0.02 0.08 0.08 -0.04 1.89 2.04 3i5yA1 ILE 196 HG12 0.03 -0.08 -0.05 -0.04 1.49 1.34 3i5yA1 ILE 196 HG13 -0.02 0.12 0.01 -0.04 1.21 1.28 3i5yA1 ILE 196 HG23 0.10 -0.01 -0.14 -0.04 0.93 0.84 3i5yA1 ILE 196 HD13 0.07 -0.03 -0.15 -0.04 0.88 0.73 3i5yA1 GLU 197 H -0.00 0.51 -0.12 -0.55 8.60 8.44 3i5yA1 GLU 197 HA 0.01 0.04 0.31 -0.75 4.29 3.89 3i5yA1 GLU 197 HB2 0.00 0.00 0.00 -0.04 2.09 2.06 3i5yA1 GLU 197 HB3 -0.00 0.11 0.00 -0.04 1.99 2.07 3i5yA1 GLU 197 HG2 0.01 0.02 -0.24 -0.04 2.34 2.09 3i5yA1 GLU 197 HG3 0.01 0.01 -0.16 -0.04 2.34 2.16 3i5yA1 ALA 198 H -0.02 0.32 -0.59 -0.55 8.40 7.56 3i5yA1 ALA 198 HA 0.00 0.01 0.26 -0.75 4.34 3.85 3i5yA1 ALA 198 HB3 -0.02 0.07 0.08 -0.04 1.41 1.49 3i5yA1 GLU 199 H -0.05 0.41 -0.23 -0.55 8.60 8.18 3i5yA1 GLU 199 HA 0.03 0.05 0.45 -0.75 4.29 4.06 3i5yA1 GLU 199 HB2 -0.16 0.11 0.12 -0.04 2.09 2.12 3i5yA1 GLU 199 HB3 -0.28 -0.08 -0.03 -0.04 1.99 1.55 3i5yA1 GLU 199 HG2 -0.16 0.29 0.06 -0.04 2.34 2.49 3i5yA1 GLU 199 HG3 -0.38 -0.15 -0.03 -0.04 2.34 1.74 3i5yA1 VAL 200 H 0.00 0.57 -0.09 -0.55 8.24 8.18 3i5yA1 VAL 200 HA 0.11 -0.01 0.46 -0.75 4.13 3.93 3i5yA1 VAL 200 HB 0.00 0.11 0.11 -0.04 2.12 2.30 3i5yA1 VAL 200 HG13 -0.07 0.00 -0.19 -0.04 0.97 0.68 3i5yA1 VAL 200 HG23 0.11 -0.01 -0.06 -0.04 0.95 0.95 3i5yA1 LYS 201 H -0.02 0.53 -0.27 -0.55 8.42 8.11 3i5yA1 LYS 201 HA -0.04 0.04 0.46 -0.75 4.32 4.02 3i5yA1 LYS 201 HB2 0.02 0.14 0.10 -0.04 1.87 2.08 3i5yA1 LYS 201 HB3 0.06 -0.06 0.01 -0.04 1.79 1.76 3i5yA1 LYS 201 HG2 0.06 -0.01 -0.04 -0.04 1.46 1.43 3i5yA1 LYS 201 HG3 0.02 0.08 -0.11 -0.04 1.46 1.41 3i5yA1 LYS 201 HD2 0.03 -0.02 -0.04 -0.04 1.69 1.62 3i5yA1 LYS 201 HD3 0.07 0.00 -0.02 -0.04 1.68 1.69 3i5yA1 LYS 201 HE2 0.05 0.06 -0.05 -0.04 2.99 3.01 3i5yA1 LYS 201 HE3 0.02 -0.06 -0.10 -0.04 2.99 2.81 3i5yA1 LYS 202 H 0.03 0.42 -0.18 -0.55 8.42 8.14 3i5yA1 LYS 202 HA 0.04 0.01 0.50 -0.75 4.32 4.11 3i5yA1 LYS 202 HB2 0.12 0.11 0.19 -0.04 1.87 2.24 3i5yA1 LYS 202 HB3 0.07 -0.03 -0.03 -0.04 1.79 1.76 3i5yA1 LYS 202 HG2 0.03 -0.02 0.01 -0.04 1.46 1.45 3i5yA1 LYS 202 HG3 0.04 0.10 0.02 -0.04 1.46 1.58 3i5yA1 LYS 202 HD2 0.09 -0.07 -0.02 -0.04 1.69 1.66 3i5yA1 LYS 202 HD3 0.09 0.01 -0.02 -0.04 1.68 1.71 3i5yA1 LYS 202 HE2 0.02 0.01 -0.04 -0.04 2.99 2.94 3i5yA1 LYS 202 HE3 0.01 -0.01 -0.11 -0.04 2.99 2.84 3i5yA1 ILE 203 H -0.00 0.47 -0.18 -0.55 8.25 8.00 3i5yA1 ILE 203 HA -0.15 0.05 0.45 -0.75 4.18 3.78 3i5yA1 ILE 203 HB -0.22 0.20 0.13 -0.04 1.89 1.95 3i5yA1 ILE 203 HG12 -0.27 -0.04 -0.07 -0.04 1.49 1.07 3i5yA1 ILE 203 HG13 0.08 0.10 -0.03 -0.04 1.21 1.33 3i5yA1 ILE 203 HG23 -0.71 -0.02 -0.15 -0.04 0.93 0.01 3i5yA1 ILE 203 HD13 -0.00 -0.03 -0.12 -0.04 0.88 0.68 3i5yA1 HIS 204 H -0.04 0.46 -0.22 -0.55 8.41 8.06 3i5yA1 HIS 204 HA 0.03 0.02 0.27 -0.75 4.63 4.20 3i5yA1 HIS 204 HB2 0.07 0.15 0.14 -0.04 3.26 3.58 3i5yA1 HIS 204 HB3 0.07 -0.08 -0.09 -0.04 3.20 3.05 3i5yA1 HIS 204 HD2 0.17 -0.12 -0.30 -0.04 6.97 6.67 3i5yA1 HIS 204 HE1 0.12 -0.11 -0.05 -0.04 7.75 7.67 3i5yA1 ASP 205 H 0.11 0.43 -0.29 -0.55 8.40 8.11 3i5yA1 ASP 205 HA 0.30 0.02 0.34 -0.75 4.63 4.54 3i5yA1 ASP 205 HB2 0.07 0.09 0.10 -0.04 2.71 2.94 3i5yA1 ASP 205 HB3 0.09 -0.03 0.00 -0.04 2.70 2.72 3i5yA1 MET 206 H 0.00 0.37 -0.38 -0.55 8.47 7.92 3i5yA1 MET 206 HA -0.09 0.08 0.72 -0.75 4.52 4.48 3i5yA1 MET 206 HB2 -0.11 0.08 0.13 -0.04 2.15 2.21 3i5yA1 MET 206 HB3 -0.13 -0.06 0.19 -0.04 2.03 1.99 3i5yA1 MET 206 HG2 -0.07 0.14 0.02 -0.04 2.63 2.69 3i5yA1 MET 206 HG3 -0.14 -0.01 -0.01 -0.04 2.56 2.36 3i5yA1 MET 206 HE3 -0.04 -0.00 -0.20 -0.04 2.10 1.82 3i5yA1 ASN 207 H 0.03 0.39 -0.55 -0.55 8.53 7.85 3i5yA1 ASN 207 HA -0.10 0.00 0.32 -0.75 4.76 4.24 3i5yA1 ASN 207 HB2 -0.06 0.16 -0.07 -0.04 2.88 2.86 3i5yA1 ASN 207 HB3 -0.03 0.03 0.12 -0.04 2.79 2.87 3i5yA1 ASN 207 HD21 0.00 -0.14 0.05 -0.04 7.03 6.91 3i5yA1 ASN 207 HD22 -0.02 0.43 0.16 -0.04 7.74 8.27 3i5yA1 TYR 208 H -0.10 0.18 0.05 -0.55 8.29 7.86 3i5yA1 TYR 208 HA -0.03 0.20 0.34 -0.75 4.56 4.31 3i5yA1 TYR 208 HB2 -0.03 -0.04 0.06 -0.04 3.06 3.01 3i5yA1 TYR 208 HB3 -0.04 0.00 0.09 -0.04 2.98 3.00 3i5yA1 TYR 208 HD2 -0.02 0.07 -0.00 -0.04 7.15 7.16 3i5yA1 TYR 208 HE2 -0.01 0.01 0.03 -0.04 6.85 6.84 3i5yA1 GLY 209 H 0.05 0.02 -0.54 -0.55 8.43 7.41 3i5yA1 GLY 209 HA2 -0.00 0.08 0.47 -0.51 4.01 4.05 3i5yA1 GLY 209 HA3 0.02 -0.01 0.23 -0.51 4.01 3.74 3i5yA1 LEU 210 H 0.06 0.66 -0.10 -0.55 8.37 8.45 3i5yA1 LEU 210 HA 0.17 0.09 0.56 -0.75 4.35 4.43 3i5yA1 LEU 210 HB2 0.14 0.18 -0.01 -0.04 1.64 1.91 3i5yA1 LEU 210 HB3 0.37 -0.00 0.03 -0.04 1.64 2.00 3i5yA1 LEU 210 HG 0.06 -0.06 -0.08 -0.04 1.64 1.51 3i5yA1 LEU 210 HD13 -0.24 0.03 -0.09 -0.04 0.93 0.59 3i5yA1 LEU 210 HD23 0.29 -0.03 -0.17 -0.04 0.89 0.94 3i5yA1 LYS 211 H -0.09 0.28 -0.39 -0.55 8.42 7.67 3i5yA1 LYS 211 HA -0.95 0.06 0.30 -0.75 4.32 2.98 3i5yA1 LYS 211 HB2 -0.15 0.20 0.09 -0.04 1.87 1.97 3i5yA1 LYS 211 HB3 -0.22 -0.02 -0.05 -0.04 1.79 1.45 3i5yA1 LYS 211 HG2 -0.25 -0.04 -0.01 -0.04 1.46 1.12 3i5yA1 LYS 211 HG3 -0.11 0.03 0.00 -0.04 1.46 1.34 3i5yA1 LYS 211 HD2 -0.15 0.01 0.09 -0.04 1.69 1.59 3i5yA1 LYS 211 HD3 -0.20 -0.02 0.00 -0.04 1.68 1.42 3i5yA1 LYS 211 HE2 -0.07 0.05 -0.14 -0.04 2.99 2.79 3i5yA1 LYS 211 HE3 -0.59 -0.04 -0.03 -0.04 2.99 2.29 3i5yA1 LYS 212 H -0.25 0.16 -0.37 -0.55 8.42 7.42 3i5yA1 LYS 212 HA -0.17 0.04 0.40 -0.75 4.32 3.85 3i5yA1 LYS 212 HB2 -0.31 0.04 0.05 -0.04 1.87 1.61 3i5yA1 LYS 212 HB3 -0.23 -0.06 0.08 -0.04 1.79 1.54 3i5yA1 LYS 212 HG2 -0.45 0.23 0.07 -0.04 1.46 1.27 3i5yA1 LYS 212 HG3 -1.39 -0.00 -0.11 -0.04 1.46 -0.08 3i5yA1 LYS 212 HD2 -0.57 -0.05 -0.00 -0.04 1.69 1.03 3i5yA1 LYS 212 HD3 -0.53 0.06 -0.04 -0.04 1.68 1.12 3i5yA1 LYS 212 HE2 -0.19 -0.01 0.02 -0.04 2.99 2.77 3i5yA1 LYS 212 HE3 -0.18 -0.00 0.04 -0.04 2.99 2.81 3i5yA1 TYR 213 H -0.24 0.30 -0.47 -0.55 8.29 7.33 3i5yA1 TYR 213 HA -0.00 0.13 0.70 -0.75 4.56 4.63 3i5yA1 TYR 213 HB2 0.29 0.07 0.20 -0.04 3.06 3.59 3i5yA1 TYR 213 HB3 -0.07 -0.05 0.09 -0.04 2.98 2.90 3i5yA1 TYR 213 HD2 0.14 0.05 0.02 -0.04 7.15 7.31 3i5yA1 TYR 213 HE2 -0.02 -0.00 -0.06 -0.04 6.85 6.74 3i5yA1 ALA 214 H 0.06 0.36 0.01 -0.55 8.40 8.29 3i5yA1 ALA 214 HA 0.16 0.10 0.25 -0.75 4.34 4.10 3i5yA1 ALA 214 HB3 0.03 0.02 -0.02 -0.04 1.41 1.40 3i5yA1 CYS 215 H 0.12 0.25 0.17 -0.55 8.50 8.49 3i5yA1 CYS 215 HA 0.02 0.37 0.95 -0.75 4.58 5.17 3i5yA1 CYS 215 HB2 0.06 0.11 -0.18 -0.04 2.97 2.91 3i5yA1 CYS 215 HB3 0.09 -0.03 0.01 -0.04 2.97 3.00 3i5yA1 VAL 216 H -0.01 0.57 0.32 -0.55 8.24 8.57 3i5yA1 VAL 216 HA -0.02 0.11 0.80 -0.75 4.13 4.28 3i5yA1 VAL 216 HB -0.08 0.03 0.02 -0.04 2.12 2.04 3i5yA1 VAL 216 HG13 -0.09 -0.02 -0.15 -0.04 0.97 0.67 3i5yA1 VAL 216 HG23 -0.05 0.01 -0.31 -0.04 0.95 0.56 3i5yA1 SER 217 H -0.02 0.17 0.14 -0.55 8.46 8.20 3i5yA1 SER 217 HA -0.01 0.31 1.01 -0.75 4.49 5.05 3i5yA1 SER 217 HB2 -0.01 -0.04 -0.10 -0.04 3.95 3.76 3i5yA1 SER 217 HB3 -0.00 0.01 -0.04 -0.04 3.93 3.86 3i5yA1 LEU 218 H -0.01 0.68 0.26 -0.55 8.37 8.74 3i5yA1 LEU 218 HA -0.07 0.14 0.86 -0.75 4.35 4.54 3i5yA1 LEU 218 HB2 -0.01 -0.04 0.09 -0.04 1.64 1.64 3i5yA1 LEU 218 HB3 -0.06 -0.03 -0.07 -0.04 1.64 1.44 3i5yA1 LEU 218 HG -0.04 0.04 -0.31 -0.04 1.64 1.29 3i5yA1 LEU 218 HD13 0.04 0.01 -0.11 -0.04 0.93 0.83 3i5yA1 LEU 218 HD23 -0.17 0.04 -0.17 -0.04 0.89 0.55 3i5yA1 VAL 219 H -0.01 0.34 0.05 -0.55 8.24 8.06 3i5yA1 VAL 219 HA 0.02 0.01 0.91 -0.75 4.13 4.31 3i5yA1 VAL 219 HB 0.03 -0.09 0.08 -0.04 2.12 2.10 3i5yA1 VAL 219 HG13 0.00 -0.00 -0.28 -0.04 0.97 0.66 3i5yA1 VAL 219 HG23 0.02 0.05 -0.20 -0.04 0.95 0.77 3i5yA1 GLY 220 H 0.04 0.03 0.16 -0.55 8.43 8.12 3i5yA1 GLY 220 HA2 0.07 0.11 0.51 -0.51 4.01 4.19 3i5yA1 GLY 220 HA3 0.06 0.03 0.36 -0.51 4.01 3.95 3i5yA1 GLY 221 H 0.06 0.17 0.19 -0.55 8.43 8.31 3i5yA1 GLY 221 HA2 0.05 0.02 0.37 -0.51 4.01 3.93 3i5yA1 GLY 221 HA3 0.05 0.08 0.62 -0.51 4.01 4.25 3i5yA1 THR 222 H 0.05 0.17 -0.11 -0.55 8.28 7.84 3i5yA1 THR 222 HA 0.03 0.17 0.82 -0.75 4.39 4.66 3i5yA1 THR 222 HB 0.01 0.00 0.03 -0.04 4.32 4.32 3i5yA1 THR 222 HG23 0.02 0.02 -0.26 -0.04 1.22 0.96 3i5yA1 ASP 223 H 0.03 0.18 0.12 -0.55 8.40 8.18 3i5yA1 ASP 223 HA 0.08 0.06 0.47 -0.75 4.63 4.49 3i5yA1 ASP 223 HB2 0.04 0.09 0.14 -0.04 2.71 2.94 3i5yA1 ASP 223 HB3 0.03 0.00 0.17 -0.04 2.70 2.86 3i5yA1 PHE 224 H 0.22 0.18 0.26 -0.55 8.34 8.44 3i5yA1 PHE 224 HA 0.02 0.13 0.42 -0.75 4.62 4.43 3i5yA1 PHE 224 HB2 0.03 0.03 0.16 -0.04 3.15 3.34 3i5yA1 PHE 224 HB3 0.04 -0.04 0.14 -0.04 3.06 3.16 3i5yA1 PHE 224 HD2 0.05 -0.03 -0.19 -0.04 7.28 7.07 3i5yA1 PHE 224 HE2 0.16 0.03 -0.11 -0.04 7.38 7.42 3i5yA1 PHE 224 HZ 0.24 0.09 -0.14 -0.04 7.32 7.46 3i5yA1 ARG 225 H 0.22 0.09 0.00 -0.55 8.46 8.22 3i5yA1 ARG 225 HA 0.18 0.14 0.39 -0.75 4.34 4.30 3i5yA1 ARG 225 HB2 0.13 0.02 0.12 -0.04 1.90 2.13 3i5yA1 ARG 225 HB3 0.08 -0.05 0.07 -0.04 1.80 1.86 3i5yA1 ARG 225 HG2 0.05 0.02 -0.14 -0.04 1.67 1.56 3i5yA1 ARG 225 HG3 0.09 0.05 0.03 -0.04 1.67 1.80 3i5yA1 ARG 225 HD2 0.05 0.05 -0.02 -0.04 3.22 3.26 3i5yA1 ARG 225 HD3 0.06 0.02 0.01 -0.04 3.22 3.27 3i5yA1 ALA 226 H 0.04 0.01 -0.37 -0.55 8.40 7.54 3i5yA1 ALA 226 HA -0.00 0.10 0.34 -0.75 4.34 4.03 3i5yA1 ALA 226 HB3 0.00 0.03 0.06 -0.04 1.41 1.47 3i5yA1 ALA 227 H -0.07 0.39 -0.15 -0.55 8.40 8.02 3i5yA1 ALA 227 HA -0.10 0.07 0.54 -0.75 4.34 4.10 3i5yA1 ALA 227 HB3 -0.19 0.03 0.11 -0.04 1.41 1.33 3i5yA1 MET 228 H -0.17 0.38 -0.26 -0.55 8.47 7.87 3i5yA1 MET 228 HA -0.28 0.07 0.45 -0.75 4.52 3.99 3i5yA1 MET 228 HB2 -0.20 0.08 0.12 -0.04 2.15 2.11 3i5yA1 MET 228 HB3 -0.08 0.04 0.02 -0.04 2.03 1.97 3i5yA1 MET 228 HG2 -0.39 -0.02 -0.02 -0.04 2.63 2.16 3i5yA1 MET 228 HG3 -0.36 0.02 0.02 -0.04 2.56 2.20 3i5yA1 MET 228 HE3 -0.72 -0.01 -0.06 -0.04 2.10 1.27 3i5yA1 ASN 229 H -0.06 0.50 -0.04 -0.55 8.53 8.39 3i5yA1 ASN 229 HA -0.02 0.05 0.54 -0.75 4.76 4.58 3i5yA1 ASN 229 HB2 -0.02 0.10 0.18 -0.04 2.88 3.11 3i5yA1 ASN 229 HB3 -0.01 -0.01 0.02 -0.04 2.79 2.75 3i5yA1 ASN 229 HD21 0.02 -0.05 -0.06 -0.04 7.03 6.90 3i5yA1 ASN 229 HD22 0.00 -0.02 -0.02 -0.04 7.74 7.66 3i5yA1 LYS 230 H -0.07 0.37 -0.31 -0.55 8.42 7.85 3i5yA1 LYS 230 HA -0.04 0.02 0.44 -0.75 4.32 3.99 3i5yA1 LYS 230 HB2 -0.05 0.04 0.17 -0.04 1.87 1.99 3i5yA1 LYS 230 HB3 -0.08 0.13 0.14 -0.04 1.79 1.94 3i5yA1 LYS 230 HG2 -0.04 0.04 -0.03 -0.04 1.46 1.38 3i5yA1 LYS 230 HG3 -0.03 -0.01 0.07 -0.04 1.46 1.45 3i5yA1 LYS 230 HD2 -0.03 -0.04 0.03 -0.04 1.69 1.61 3i5yA1 LYS 230 HD3 -0.04 -0.05 0.06 -0.04 1.68 1.61 3i5yA1 LYS 230 HE2 -0.01 0.02 0.02 -0.04 2.99 2.99 3i5yA1 LYS 230 HE3 -0.01 -0.06 0.03 -0.04 2.99 2.91 3i5yA1 MET 231 H -0.17 0.38 -0.13 -0.55 8.47 8.00 3i5yA1 MET 231 HA -0.21 0.05 0.46 -0.75 4.52 4.07 3i5yA1 MET 231 HB2 -0.46 0.07 0.15 -0.04 2.15 1.87 3i5yA1 MET 231 HB3 -1.16 0.03 -0.01 -0.04 2.03 0.85 3i5yA1 MET 231 HG2 -0.29 0.12 0.01 -0.04 2.63 2.43 3i5yA1 MET 231 HG3 -0.47 -0.09 -0.05 -0.04 2.56 1.91 3i5yA1 MET 231 HE3 -0.74 0.01 -0.08 -0.04 2.10 1.26 3i5yA1 ASN 232 H -0.04 0.42 -0.21 -0.55 8.53 8.15 3i5yA1 ASN 232 HA 0.21 0.11 0.49 -0.75 4.76 4.81 3i5yA1 ASN 232 HB2 0.02 0.04 0.19 -0.04 2.88 3.09 3i5yA1 ASN 232 HB3 0.04 -0.04 -0.01 -0.04 2.79 2.74 3i5yA1 ASN 232 HD21 0.03 -0.12 -0.05 -0.04 7.03 6.86 3i5yA1 ASN 232 HD22 0.01 0.00 -0.08 -0.04 7.74 7.63 3i5yA1 LYS 233 H -0.01 0.49 -0.04 -0.55 8.42 8.32 3i5yA1 LYS 233 HA -0.01 0.04 0.45 -0.75 4.32 4.05 3i5yA1 LYS 233 HB2 -0.01 -0.06 0.09 -0.04 1.87 1.85 3i5yA1 LYS 233 HB3 -0.02 0.00 0.13 -0.04 1.79 1.86 3i5yA1 LYS 233 HG2 -0.01 0.06 -0.21 -0.04 1.46 1.26 3i5yA1 LYS 233 HG3 -0.01 -0.04 0.02 -0.04 1.46 1.39 3i5yA1 LYS 233 HD2 -0.01 -0.06 -0.03 -0.04 1.69 1.55 3i5yA1 LYS 233 HD3 -0.02 -0.01 -0.05 -0.04 1.68 1.56 3i5yA1 LYS 233 HE2 -0.02 0.05 -0.06 -0.04 2.99 2.92 3i5yA1 LYS 233 HE3 -0.01 -0.02 -0.03 -0.04 2.99 2.89 3i5yA1 LEU 234 H -0.01 0.41 -0.12 -0.55 8.37 8.10 3i5yA1 LEU 234 HA 0.00 0.12 0.67 -0.75 4.35 4.39 3i5yA1 LEU 234 HB2 -0.02 0.12 0.03 -0.04 1.64 1.73 3i5yA1 LEU 234 HB3 0.00 -0.06 -0.04 -0.04 1.64 1.50 3i5yA1 LEU 234 HG -0.02 -0.04 0.03 -0.04 1.64 1.57 3i5yA1 LEU 234 HD13 -0.00 -0.03 -0.01 -0.04 0.93 0.84 3i5yA1 LEU 234 HD23 -0.01 0.00 -0.09 -0.04 0.89 0.75 3i5yA1 ARG 235 H 0.04 0.26 -0.23 -0.55 8.46 7.97 3i5yA1 ARG 235 HA 0.14 0.11 0.36 -0.75 4.34 4.20 3i5yA1 ARG 235 HB2 0.16 0.08 0.03 -0.04 1.90 2.13 3i5yA1 ARG 235 HB3 0.21 0.06 0.21 -0.04 1.80 2.23 3i5yA1 ARG 235 HG2 0.02 0.06 -0.28 -0.04 1.67 1.43 3i5yA1 ARG 235 HG3 -0.07 -0.13 -0.02 -0.04 1.67 1.41 3i5yA1 ARG 235 HD2 0.19 0.08 0.16 -0.04 3.22 3.61 3i5yA1 ARG 235 HD3 -0.01 -0.13 0.08 -0.04 3.22 3.12 3i5yA1 PRO 236 HA 0.03 0.04 0.09 -0.51 4.44 4.09 3i5yA1 PRO 236 HB2 -0.02 0.08 -0.21 -0.04 2.28 2.09 3i5yA1 PRO 236 HB3 -0.01 -0.10 -0.37 -0.04 2.02 1.50 3i5yA1 PRO 236 HG2 -0.12 0.01 -0.12 -0.04 2.03 1.75 3i5yA1 PRO 236 HG3 -0.12 -0.10 -0.09 -0.04 2.03 1.68 3i5yA1 PRO 236 HD2 -0.08 0.16 0.15 -0.04 3.68 3.86 3i5yA1 PRO 236 HD3 -0.06 0.04 0.02 -0.04 3.65 3.62 3i5yA1 ASN 237 H 0.04 0.27 0.17 -0.55 8.53 8.46 3i5yA1 ASN 237 HA 0.01 0.36 0.79 -0.75 4.76 5.17 3i5yA1 ASN 237 HB2 0.03 -0.04 0.07 -0.04 2.88 2.89 3i5yA1 ASN 237 HB3 0.01 -0.08 0.18 -0.04 2.79 2.86 3i5yA1 ASN 237 HD21 0.00 0.35 0.03 -0.04 7.03 7.37 3i5yA1 ASN 237 HD22 0.02 0.38 0.09 -0.04 7.74 8.18 3i5yA1 ILE 238 H -0.01 0.38 0.10 -0.55 8.25 8.17 3i5yA1 ILE 238 HA -0.02 0.24 1.06 -0.75 4.18 4.71 3i5yA1 ILE 238 HB -0.04 -0.01 0.10 -0.04 1.89 1.90 3i5yA1 ILE 238 HG12 -0.14 0.04 -0.15 -0.04 1.49 1.20 3i5yA1 ILE 238 HG13 -0.14 0.03 -0.34 -0.04 1.21 0.73 3i5yA1 ILE 238 HG23 -0.03 -0.04 -0.19 -0.04 0.93 0.63 3i5yA1 ILE 238 HD13 -0.46 -0.01 -0.12 -0.04 0.88 0.24 3i5yA1 VAL 239 H 0.03 0.71 0.37 -0.55 8.24 8.80 3i5yA1 VAL 239 HA 0.00 0.27 1.04 -0.75 4.13 4.69 3i5yA1 VAL 239 HB 0.13 0.04 0.10 -0.04 2.12 2.36 3i5yA1 VAL 239 HG13 0.12 -0.04 -0.21 -0.04 0.97 0.81 3i5yA1 VAL 239 HG23 -0.02 0.01 -0.15 -0.04 0.95 0.75 3i5yA1 ILE 240 H 0.01 0.56 0.33 -0.55 8.25 8.61 3i5yA1 ILE 240 HA 0.01 0.32 1.08 -0.75 4.18 4.84 3i5yA1 ILE 240 HB 0.00 -0.08 0.03 -0.04 1.89 1.80 3i5yA1 ILE 240 HG12 0.02 0.10 -0.44 -0.04 1.49 1.13 3i5yA1 ILE 240 HG13 0.01 0.03 -0.24 -0.04 1.21 0.97 3i5yA1 ILE 240 HG23 0.01 -0.03 -0.02 -0.04 0.93 0.85 3i5yA1 ILE 240 HD13 0.04 -0.02 -0.25 -0.04 0.88 0.61 3i5yA1 ALA 241 H -0.02 0.65 0.39 -0.55 8.40 8.87 3i5yA1 ALA 241 HA -0.01 0.13 1.00 -0.75 4.34 4.71 3i5yA1 ALA 241 HB3 -0.00 0.02 -0.10 -0.04 1.41 1.28 3i5yA1 THR 242 H -0.00 0.30 0.35 -0.55 8.28 8.38 3i5yA1 THR 242 HA -0.06 0.41 0.95 -0.75 4.39 4.94 3i5yA1 THR 242 HB 0.02 -0.02 0.07 -0.04 4.32 4.36 3i5yA1 THR 242 HG23 -0.00 0.04 -0.25 -0.04 1.22 0.96 3i5yA1 PRO 243 HA -0.02 0.14 0.23 -0.51 4.44 4.29 3i5yA1 PRO 243 HB2 0.14 -0.03 0.12 -0.04 2.28 2.47 3i5yA1 PRO 243 HB3 0.04 0.10 0.01 -0.04 2.02 2.13 3i5yA1 PRO 243 HG2 -0.33 0.06 0.10 -0.04 2.03 1.82 3i5yA1 PRO 243 HG3 -0.21 0.11 0.04 -0.04 2.03 1.92 3i5yA1 PRO 243 HD2 -0.02 0.03 0.21 -0.04 3.68 3.86 3i5yA1 PRO 243 HD3 -0.17 0.45 0.30 -0.04 3.65 4.19 3i5yA1 GLY 244 H 0.09 0.13 -0.02 -0.55 8.43 8.09 3i5yA1 GLY 244 HA2 0.06 0.11 0.38 -0.51 4.01 4.05 3i5yA1 GLY 244 HA3 0.07 0.02 0.32 -0.51 4.01 3.91 3i5yA1 ARG 245 H 0.05 0.07 -0.18 -0.55 8.46 7.85 3i5yA1 ARG 245 HA 0.11 0.07 0.31 -0.75 4.34 4.07 3i5yA1 ARG 245 HB2 0.07 -0.12 -0.15 -0.04 1.90 1.66 3i5yA1 ARG 245 HB3 0.04 0.09 -0.14 -0.04 1.80 1.74 3i5yA1 ARG 245 HG2 0.02 0.02 -0.43 -0.04 1.67 1.23 3i5yA1 ARG 245 HG3 0.01 0.09 -0.35 -0.04 1.67 1.38 3i5yA1 ARG 245 HD2 0.09 0.05 -0.08 -0.04 3.22 3.25 3i5yA1 ARG 245 HD3 0.28 -0.01 0.02 -0.04 3.22 3.47 3i5yA1 LEU 246 H 0.02 0.41 -0.20 -0.55 8.37 8.06 3i5yA1 LEU 246 HA -0.02 0.05 0.42 -0.75 4.35 4.05 3i5yA1 LEU 246 HB2 -0.02 0.00 -0.01 -0.04 1.64 1.57 3i5yA1 LEU 246 HB3 -0.03 0.06 0.02 -0.04 1.64 1.66 3i5yA1 LEU 246 HG -0.11 0.01 -0.25 -0.04 1.64 1.25 3i5yA1 LEU 246 HD13 -0.17 -0.01 -0.03 -0.04 0.93 0.68 3i5yA1 LEU 246 HD23 -0.04 0.01 -0.16 -0.04 0.89 0.65 3i5yA1 ILE 247 H 0.01 0.54 -0.12 -0.55 8.25 8.14 3i5yA1 ILE 247 HA -0.03 0.07 0.45 -0.75 4.18 3.91 3i5yA1 ILE 247 HB 0.02 0.09 0.17 -0.04 1.89 2.13 3i5yA1 ILE 247 HG12 -0.01 0.01 -0.01 -0.04 1.49 1.44 3i5yA1 ILE 247 HG13 0.00 0.10 0.06 -0.04 1.21 1.33 3i5yA1 ILE 247 HG23 0.01 -0.01 -0.12 -0.04 0.93 0.77 3i5yA1 ILE 247 HD13 0.02 0.00 0.02 -0.04 0.88 0.88 3i5yA1 ASP 248 H 0.07 0.41 -0.09 -0.55 8.40 8.25 3i5yA1 ASP 248 HA 0.06 0.01 0.36 -0.75 4.63 4.31 3i5yA1 ASP 248 HB2 0.11 0.02 0.14 -0.04 2.71 2.94 3i5yA1 ASP 248 HB3 0.27 0.18 0.13 -0.04 2.70 3.23 3i5yA1 VAL 249 H 0.14 0.42 -0.33 -0.55 8.24 7.91 3i5yA1 VAL 249 HA 0.46 0.03 0.39 -0.75 4.13 4.26 3i5yA1 VAL 249 HB 0.04 0.10 0.08 -0.04 2.12 2.30 3i5yA1 VAL 249 HG13 0.20 -0.00 -0.16 -0.04 0.97 0.97 3i5yA1 VAL 249 HG23 -0.07 0.02 -0.03 -0.04 0.95 0.82 3i5yA1 LEU 250 H -0.02 0.64 -0.06 -0.55 8.37 8.37 3i5yA1 LEU 250 HA -0.13 -0.01 0.31 -0.75 4.35 3.77 3i5yA1 LEU 250 HB2 -0.09 0.04 0.21 -0.04 1.64 1.76 3i5yA1 LEU 250 HB3 -0.11 -0.02 -0.01 -0.04 1.64 1.45 3i5yA1 LEU 250 HG -0.34 0.12 0.02 -0.04 1.64 1.40 3i5yA1 LEU 250 HD13 -0.17 -0.02 -0.05 -0.04 0.93 0.65 3i5yA1 LEU 250 HD23 -0.87 -0.01 -0.05 -0.04 0.89 -0.09 3i5yA1 GLU 251 H 0.01 0.63 -0.15 -0.55 8.60 8.54 3i5yA1 GLU 251 HA -0.02 0.04 0.33 -0.75 4.29 3.89 3i5yA1 GLU 251 HB2 -0.00 0.09 0.05 -0.04 2.09 2.18 3i5yA1 GLU 251 HB3 -0.02 -0.04 0.05 -0.04 1.99 1.94 3i5yA1 GLU 251 HG2 -0.01 -0.01 0.01 -0.04 2.34 2.28 3i5yA1 GLU 251 HG3 -0.01 0.08 0.02 -0.04 2.34 2.39 3i5yA1 LYS 252 H 0.02 0.27 -0.56 -0.55 8.42 7.59 3i5yA1 LYS 252 HA -0.18 0.19 0.96 -0.75 4.32 4.53 3i5yA1 LYS 252 HB2 -0.27 0.05 0.06 -0.04 1.87 1.67 3i5yA1 LYS 252 HB3 -0.64 -0.05 0.06 -0.04 1.79 1.11 3i5yA1 LYS 252 HG2 -0.13 -0.03 -0.06 -0.04 1.46 1.20 3i5yA1 LYS 252 HG3 -0.06 -0.06 -0.26 -0.04 1.46 1.04 3i5yA1 LYS 252 HD2 0.12 0.11 0.01 -0.04 1.69 1.89 3i5yA1 LYS 252 HD3 -0.06 -0.08 -0.02 -0.04 1.68 1.48 3i5yA1 LYS 252 HE2 -0.15 -0.11 -0.02 -0.04 2.99 2.67 3i5yA1 LYS 252 HE3 -0.08 -0.03 -0.03 -0.04 2.99 2.81 3i5yA1 TYR 253 H 0.16 0.52 0.13 -0.55 8.29 8.55 3i5yA1 TYR 253 HA 0.16 0.16 0.92 -0.75 4.56 5.05 3i5yA1 TYR 253 HB2 0.40 0.06 0.03 -0.04 3.06 3.50 3i5yA1 TYR 253 HB3 0.50 -0.05 0.16 -0.04 2.98 3.56 3i5yA1 TYR 253 HD2 0.22 0.03 0.01 -0.04 7.15 7.37 3i5yA1 TYR 253 HE2 0.29 -0.03 -0.04 -0.04 6.85 7.03 3i5yA1 SER 254 H 0.13 0.43 0.07 -0.55 8.46 8.55 3i5yA1 SER 254 HA 0.38 0.03 0.47 -0.75 4.49 4.61 3i5yA1 SER 254 HB2 0.07 0.04 -0.01 -0.04 3.95 4.01 3i5yA1 SER 254 HB3 -0.00 0.05 0.16 -0.04 3.93 4.10 3i5yA1 ASN 255 H 0.12 0.09 -0.25 -0.55 8.53 7.95 3i5yA1 ASN 255 HA 0.07 0.18 0.40 -0.75 4.76 4.66 3i5yA1 ASN 255 HB2 0.05 -0.04 0.02 -0.04 2.88 2.87 3i5yA1 ASN 255 HB3 0.04 0.04 -0.08 -0.04 2.79 2.74 3i5yA1 ASN 255 HD21 0.01 0.01 -0.03 -0.04 7.03 6.98 3i5yA1 ASN 255 HD22 0.02 -0.02 -0.03 -0.04 7.74 7.67 3i5yA1 LYS 256 H 0.14 0.05 -0.31 -0.55 8.42 7.75 3i5yA1 LYS 256 HA -0.11 0.09 0.37 -0.75 4.32 3.92 3i5yA1 LYS 256 HB2 -0.02 -0.06 0.09 -0.04 1.87 1.83 3i5yA1 LYS 256 HB3 -0.18 0.05 0.12 -0.04 1.79 1.74 3i5yA1 LYS 256 HG2 -1.86 0.06 -0.15 -0.04 1.46 -0.53 3i5yA1 LYS 256 HG3 -0.46 0.03 0.05 -0.04 1.46 1.04 3i5yA1 LYS 256 HD2 -0.06 -0.03 0.01 -0.04 1.69 1.57 3i5yA1 LYS 256 HD3 -0.04 -0.04 -0.00 -0.04 1.68 1.56 3i5yA1 LYS 256 HE2 -0.22 0.04 -0.03 -0.04 2.99 2.74 3i5yA1 LYS 256 HE3 -0.18 0.02 0.00 -0.04 2.99 2.79 3i5yA1 PHE 257 H 0.30 0.24 -0.09 -0.55 8.34 8.23 3i5yA1 PHE 257 HA -0.02 0.32 1.01 -0.75 4.62 5.17 3i5yA1 PHE 257 HB2 -0.39 -0.02 -0.01 -0.04 3.15 2.69 3i5yA1 PHE 257 HB3 -0.48 0.01 0.05 -0.04 3.06 2.60 3i5yA1 PHE 257 HD2 0.08 0.14 0.00 -0.04 7.28 7.46 3i5yA1 PHE 257 HE2 -0.10 0.05 -0.12 -0.04 7.38 7.17 3i5yA1 PHE 257 HZ -0.10 -0.04 -0.12 -0.04 7.32 7.02 3i5yA1 PHE 258 H 0.35 0.42 -0.00 -0.55 8.34 8.55 3i5yA1 PHE 258 HA 0.16 0.24 0.71 -0.75 4.62 4.97 3i5yA1 PHE 258 HB2 0.11 0.07 0.18 -0.04 3.15 3.46 3i5yA1 PHE 258 HB3 0.08 -0.02 0.15 -0.04 3.06 3.22 3i5yA1 PHE 258 HD2 0.17 0.06 -0.06 -0.04 7.28 7.41 3i5yA1 PHE 258 HE2 0.07 -0.03 -0.14 -0.04 7.38 7.23 3i5yA1 PHE 258 HZ -0.03 -0.06 -0.13 -0.04 7.32 7.06 3i5yA1 ARG 259 H 0.14 0.17 -0.16 -0.55 8.46 8.05 3i5yA1 ARG 259 HA -0.08 0.21 0.36 -0.75 4.34 4.08 3i5yA1 ARG 259 HB2 -0.42 -0.03 0.04 -0.04 1.90 1.45 3i5yA1 ARG 259 HB3 -0.46 -0.00 0.22 -0.04 1.80 1.51 3i5yA1 ARG 259 HG2 -0.06 0.18 0.05 -0.04 1.67 1.80 3i5yA1 ARG 259 HG3 0.03 -0.03 0.04 -0.04 1.67 1.67 3i5yA1 ARG 259 HD2 0.01 -0.18 0.10 -0.04 3.22 3.11 3i5yA1 ARG 259 HD3 0.04 0.15 0.09 -0.04 3.22 3.45 3i5yA1 PHE 260 H 0.20 0.17 -0.37 -0.55 8.34 7.78 3i5yA1 PHE 260 HA 0.05 0.10 0.87 -0.75 4.62 4.89 3i5yA1 PHE 260 HB2 0.04 0.10 -0.07 -0.04 3.15 3.17 3i5yA1 PHE 260 HB3 0.04 0.01 0.08 -0.04 3.06 3.15 3i5yA1 PHE 260 HD2 0.03 0.01 -0.10 -0.04 7.28 7.18 3i5yA1 PHE 260 HE2 0.02 0.01 -0.06 -0.04 7.38 7.31 3i5yA1 PHE 260 HZ 0.02 -0.03 -0.03 -0.04 7.32 7.25 3i5yA1 VAL 261 H 0.11 0.14 -0.16 -0.55 8.24 7.79 3i5yA1 VAL 261 HA 0.13 0.10 0.50 -0.75 4.13 4.10 3i5yA1 VAL 261 HB 0.11 0.03 0.03 -0.04 2.12 2.24 3i5yA1 VAL 261 HG13 0.09 -0.04 -0.33 -0.04 0.97 0.65 3i5yA1 VAL 261 HG23 0.23 -0.04 -0.13 -0.04 0.95 0.98 3i5yA1 ASP 262 H 0.11 0.53 0.40 -0.55 8.40 8.89 3i5yA1 ASP 262 HA -0.05 0.14 0.88 -0.75 4.63 4.84 3i5yA1 ASP 262 HB2 0.13 0.08 0.18 -0.04 2.71 3.06 3i5yA1 ASP 262 HB3 -0.28 -0.04 0.06 -0.04 2.70 2.40 3i5yA1 TYR 263 H 0.12 0.39 0.32 -0.55 8.29 8.57 3i5yA1 TYR 263 HA -0.04 0.33 1.03 -0.75 4.56 5.12 3i5yA1 TYR 263 HB2 -0.06 -0.03 0.16 -0.04 3.06 3.09 3i5yA1 TYR 263 HB3 -0.04 -0.08 -0.10 -0.04 2.98 2.72 3i5yA1 TYR 263 HD2 -0.20 -0.04 -0.10 -0.04 7.15 6.77 3i5yA1 TYR 263 HE2 -0.60 0.04 -0.02 -0.04 6.85 6.22 3i5yA1 LYS 264 H 0.05 0.70 0.33 -0.55 8.42 8.94 3i5yA1 LYS 264 HA 0.03 0.21 0.95 -0.75 4.32 4.76 3i5yA1 LYS 264 HB2 0.00 -0.02 0.09 -0.04 1.87 1.90 3i5yA1 LYS 264 HB3 0.02 0.02 -0.05 -0.04 1.79 1.75 3i5yA1 LYS 264 HG2 -0.01 0.10 0.01 -0.04 1.46 1.53 3i5yA1 LYS 264 HG3 -0.02 -0.12 -0.14 -0.04 1.46 1.14 3i5yA1 LYS 264 HD2 -0.02 -0.09 -0.10 -0.04 1.69 1.44 3i5yA1 LYS 264 HD3 -0.01 0.04 -0.09 -0.04 1.68 1.59 3i5yA1 LYS 264 HE2 -0.02 -0.10 -0.07 -0.04 2.99 2.76 3i5yA1 LYS 264 HE3 -0.02 -0.07 -0.02 -0.04 2.99 2.83 3i5yA1 VAL 265 H -0.06 0.67 0.36 -0.55 8.24 8.67 3i5yA1 VAL 265 HA -0.08 0.24 1.12 -0.75 4.13 4.66 3i5yA1 VAL 265 HB -0.31 -0.08 0.13 -0.04 2.12 1.81 3i5yA1 VAL 265 HG13 -0.86 -0.03 -0.27 -0.04 0.97 -0.23 3i5yA1 VAL 265 HG23 -0.15 0.02 -0.19 -0.04 0.95 0.58 3i5yA1 LEU 266 H -0.07 0.74 0.31 -0.55 8.37 8.80 3i5yA1 LEU 266 HA -0.11 0.18 0.99 -0.75 4.35 4.66 3i5yA1 LEU 266 HB2 -0.06 0.02 0.19 -0.04 1.64 1.75 3i5yA1 LEU 266 HB3 -0.07 -0.08 -0.00 -0.04 1.64 1.45 3i5yA1 LEU 266 HG -0.08 0.00 -0.05 -0.04 1.64 1.48 3i5yA1 LEU 266 HD13 -0.05 -0.00 -0.28 -0.04 0.93 0.55 3i5yA1 LEU 266 HD23 -0.05 -0.01 -0.11 -0.04 0.89 0.68 3i5yA1 ASP 267 H -0.15 0.55 0.16 -0.55 8.40 8.42 3i5yA1 ASP 267 HA -0.00 0.08 0.79 -0.75 4.63 4.75 3i5yA1 ASP 267 HB2 -0.15 0.07 0.03 -0.04 2.71 2.62 3i5yA1 ASP 267 HB3 -0.05 -0.02 0.03 -0.04 2.70 2.62 3i5yA1 GLU 268 H 0.04 0.14 0.17 -0.55 8.60 8.40 3i5yA1 GLU 268 HA -0.01 -0.08 0.43 -0.75 4.29 3.88 3i5yA1 GLU 268 HB2 -0.08 0.18 0.21 -0.04 2.09 2.36 3i5yA1 GLU 268 HB3 -0.10 -0.10 0.19 -0.04 1.99 1.94 3i5yA1 GLU 268 HG2 -0.04 0.01 -0.24 -0.04 2.34 2.03 3i5yA1 GLU 268 HG3 -0.08 0.00 -0.10 -0.04 2.34 2.13 3i5yA1 ALA 269 H 0.01 0.59 -0.03 -0.55 8.40 8.43 3i5yA1 ALA 269 HA -0.05 0.11 0.02 -0.75 4.34 3.67 3i5yA1 ALA 269 HB3 -0.04 0.04 -0.00 -0.04 1.41 1.36 3i5yA1 ASP 270 H 0.01 0.08 -0.21 -0.55 8.40 7.73 3i5yA1 ASP 270 HA 0.01 0.09 0.26 -0.75 4.63 4.24 3i5yA1 ASP 270 HB2 0.05 -0.02 0.03 -0.04 2.71 2.72 3i5yA1 ASP 270 HB3 0.04 0.10 0.15 -0.04 2.70 2.94 3i5yA1 ARG 271 H 0.00 0.21 -0.34 -0.55 8.46 7.78 3i5yA1 ARG 271 HA 0.07 0.04 0.53 -0.75 4.34 4.22 3i5yA1 ARG 271 HB2 -0.01 -0.10 0.06 -0.04 1.90 1.81 3i5yA1 ARG 271 HB3 -0.02 0.22 0.14 -0.04 1.80 2.10 3i5yA1 ARG 271 HG2 0.08 -0.03 -0.04 -0.04 1.67 1.64 3i5yA1 ARG 271 HG3 0.26 0.05 -0.26 -0.04 1.67 1.67 3i5yA1 ARG 271 HD2 0.09 0.00 0.05 -0.04 3.22 3.33 3i5yA1 ARG 271 HD3 0.05 -0.06 -0.02 -0.04 3.22 3.14 3i5yA1 LEU 272 H -0.04 0.44 -0.03 -0.55 8.37 8.20 3i5yA1 LEU 272 HA -0.03 -0.02 0.49 -0.75 4.35 4.03 3i5yA1 LEU 272 HB2 -0.08 0.13 -0.01 -0.04 1.64 1.64 3i5yA1 LEU 272 HB3 -0.11 -0.02 -0.01 -0.04 1.64 1.46 3i5yA1 LEU 272 HG -0.22 0.02 -0.01 -0.04 1.64 1.38 3i5yA1 LEU 272 HD13 -0.15 -0.01 -0.19 -0.04 0.93 0.54 3i5yA1 LEU 272 HD23 -0.70 -0.04 -0.17 -0.04 0.89 -0.07 3i5yA1 LEU 273 H 0.04 0.21 -0.65 -0.55 8.37 7.43 3i5yA1 LEU 273 HA 0.04 0.12 0.75 -0.75 4.35 4.52 3i5yA1 LEU 273 HB2 0.01 0.02 -0.05 -0.04 1.64 1.58 3i5yA1 LEU 273 HB3 0.01 -0.04 0.02 -0.04 1.64 1.59 3i5yA1 LEU 273 HG -0.01 0.06 -0.26 -0.04 1.64 1.38 3i5yA1 LEU 273 HD13 -0.02 -0.04 -0.22 -0.04 0.93 0.61 3i5yA1 LEU 273 HD23 -0.00 0.05 -0.17 -0.04 0.89 0.73 3i5yA1 GLU 274 H 0.09 0.31 -0.20 -0.55 8.60 8.25 3i5yA1 GLU 274 HA 0.02 0.07 0.69 -0.75 4.29 4.32 3i5yA1 GLU 274 HB2 0.07 0.12 0.15 -0.04 2.09 2.40 3i5yA1 GLU 274 HB3 0.01 -0.03 0.14 -0.04 1.99 2.07 3i5yA1 GLU 274 HG2 0.03 -0.02 0.08 -0.04 2.34 2.38 3i5yA1 GLU 274 HG3 0.05 0.22 0.23 -0.04 2.34 2.80 3i5yA1 ILE 275 H -0.01 0.12 0.17 -0.55 8.25 7.99 3i5yA1 ILE 275 HA -0.01 -0.00 0.41 -0.75 4.18 3.82 3i5yA1 ILE 275 HB -0.04 0.01 0.12 -0.04 1.89 1.94 3i5yA1 ILE 275 HG12 -0.02 -0.01 0.16 -0.04 1.49 1.58 3i5yA1 ILE 275 HG13 -0.02 0.04 0.08 -0.04 1.21 1.26 3i5yA1 ILE 275 HG23 -0.04 0.01 -0.02 -0.04 0.93 0.84 3i5yA1 ILE 275 HD13 -0.01 0.02 0.05 -0.04 0.88 0.89 3i5yA1 GLY 276 H -0.04 0.07 0.16 -0.55 8.43 8.08 3i5yA1 GLY 276 HA2 -0.11 0.01 0.41 -0.51 4.01 3.81 3i5yA1 GLY 276 HA3 -0.21 0.22 0.79 -0.51 4.01 4.30 3i5yA1 PHE 277 H 0.01 0.58 -0.27 -0.55 8.34 8.11 3i5yA1 PHE 277 HA -0.01 0.11 0.99 -0.75 4.62 4.96 3i5yA1 PHE 277 HB2 -0.01 0.19 0.08 -0.04 3.15 3.36 3i5yA1 PHE 277 HB3 -0.01 0.08 0.13 -0.04 3.06 3.21 3i5yA1 PHE 277 HD2 -0.01 0.09 0.03 -0.04 7.28 7.35 3i5yA1 PHE 277 HE2 -0.01 -0.08 0.04 -0.04 7.38 7.28 3i5yA1 PHE 277 HZ -0.00 0.11 0.13 -0.04 7.32 7.51 3i5yA1 ARG 278 H 0.08 0.24 0.00 -0.55 8.46 8.23 3i5yA1 ARG 278 HA 0.06 0.26 0.36 -0.75 4.34 4.25 3i5yA1 ARG 278 HB2 0.04 0.18 -0.24 -0.04 1.90 1.83 3i5yA1 ARG 278 HB3 0.02 -0.17 -0.02 -0.04 1.80 1.59 3i5yA1 ARG 278 HG2 0.01 -0.06 -0.15 -0.04 1.67 1.44 3i5yA1 ARG 278 HG3 0.02 0.07 0.04 -0.04 1.67 1.76 3i5yA1 ARG 278 HD2 0.01 0.13 0.03 -0.04 3.22 3.36 3i5yA1 ARG 278 HD3 0.01 -0.12 -0.05 -0.04 3.22 3.02 3i5yA1 ASP 279 H 0.03 0.00 -0.18 -0.55 8.40 7.70 3i5yA1 ASP 279 HA 0.01 0.15 0.44 -0.75 4.63 4.48 3i5yA1 ASP 279 HB2 0.01 -0.07 0.02 -0.04 2.71 2.62 3i5yA1 ASP 279 HB3 0.01 0.06 -0.07 -0.04 2.70 2.66 3i5yA1 ASP 280 H 0.06 0.10 -0.39 -0.55 8.40 7.62 3i5yA1 ASP 280 HA 0.03 0.06 0.46 -0.75 4.63 4.42 3i5yA1 ASP 280 HB2 0.16 0.17 0.13 -0.04 2.71 3.14 3i5yA1 ASP 280 HB3 0.08 -0.06 -0.04 -0.04 2.70 2.65 3i5yA1 LEU 281 H 0.05 0.57 -0.15 -0.55 8.37 8.30 3i5yA1 LEU 281 HA -0.01 -0.01 0.45 -0.75 4.35 4.03 3i5yA1 LEU 281 HB2 0.02 0.16 0.15 -0.04 1.64 1.93 3i5yA1 LEU 281 HB3 -0.01 0.03 -0.09 -0.04 1.64 1.53 3i5yA1 LEU 281 HG -0.03 0.03 -0.09 -0.04 1.64 1.50 3i5yA1 LEU 281 HD13 -0.05 -0.01 -0.05 -0.04 0.93 0.78 3i5yA1 LEU 281 HD23 -0.05 0.00 -0.03 -0.04 0.89 0.77 3i5yA1 GLU 282 H 0.01 0.46 -0.16 -0.55 8.60 8.37 3i5yA1 GLU 282 HA -0.01 0.11 0.36 -0.75 4.29 4.00 3i5yA1 GLU 282 HB2 0.00 -0.01 0.15 -0.04 2.09 2.19 3i5yA1 GLU 282 HB3 -0.00 0.00 -0.03 -0.04 1.99 1.92 3i5yA1 GLU 282 HG2 -0.00 0.04 -0.11 -0.04 2.34 2.23 3i5yA1 GLU 282 HG3 0.00 0.10 0.00 -0.04 2.34 2.40 3i5yA1 THR 283 H 0.00 0.43 -0.24 -0.55 8.28 7.92 3i5yA1 THR 283 HA -0.01 0.06 0.51 -0.75 4.39 4.20 3i5yA1 THR 283 HB -0.00 0.08 0.14 -0.04 4.32 4.50 3i5yA1 THR 283 HG23 -0.01 -0.02 -0.09 -0.04 1.22 1.06 3i5yA1 ILE 284 H -0.01 0.54 -0.12 -0.55 8.25 8.11 3i5yA1 ILE 284 HA -0.04 -0.02 0.37 -0.75 4.18 3.73 3i5yA1 ILE 284 HB -0.02 0.10 0.19 -0.04 1.89 2.11 3i5yA1 ILE 284 HG12 -0.05 -0.06 -0.07 -0.04 1.49 1.28 3i5yA1 ILE 284 HG13 -0.02 0.04 0.07 -0.04 1.21 1.26 3i5yA1 ILE 284 HG23 -0.04 -0.00 -0.19 -0.04 0.93 0.65 3i5yA1 ILE 284 HD13 -0.02 -0.03 -0.10 -0.04 0.88 0.69 3i5yA1 SER 285 H -0.02 0.70 -0.13 -0.55 8.46 8.47 3i5yA1 SER 285 HA -0.02 0.01 0.33 -0.75 4.49 4.07 3i5yA1 SER 285 HB2 -0.02 -0.04 0.07 -0.04 3.95 3.92 3i5yA1 SER 285 HB3 -0.01 0.05 0.10 -0.04 3.93 4.03 3i5yA1 GLY 286 H -0.01 0.44 -0.28 -0.55 8.43 8.03 3i5yA1 GLY 286 HA2 -0.01 0.07 0.45 -0.51 4.01 4.01 3i5yA1 GLY 286 HA3 -0.01 0.03 0.32 -0.51 4.01 3.85 3i5yA1 ILE 287 H -0.02 0.53 -0.15 -0.55 8.25 8.06 3i5yA1 ILE 287 HA -0.02 0.02 0.45 -0.75 4.18 3.88 3i5yA1 ILE 287 HB -0.04 0.10 0.15 -0.04 1.89 2.05 3i5yA1 ILE 287 HG12 -0.02 -0.03 -0.01 -0.04 1.49 1.38 3i5yA1 ILE 287 HG13 -0.02 0.17 0.05 -0.04 1.21 1.38 3i5yA1 ILE 287 HG23 -0.03 -0.02 -0.18 -0.04 0.93 0.66 3i5yA1 ILE 287 HD13 -0.03 -0.04 -0.10 -0.04 0.88 0.67 3i5yA1 LEU 288 H -0.02 0.52 -0.03 -0.55 8.37 8.29 3i5yA1 LEU 288 HA 0.03 0.05 0.37 -0.75 4.35 4.03 3i5yA1 LEU 288 HB2 0.00 0.09 0.05 -0.04 1.64 1.74 3i5yA1 LEU 288 HB3 0.03 0.01 -0.03 -0.04 1.64 1.61 3i5yA1 LEU 288 HG -0.04 0.14 0.06 -0.04 1.64 1.77 3i5yA1 LEU 288 HD13 0.02 -0.03 -0.11 -0.04 0.93 0.77 3i5yA1 LEU 288 HD23 0.04 -0.02 -0.02 -0.04 0.89 0.85 3i5yA1 ASN 289 H -0.01 0.34 -0.44 -0.55 8.53 7.87 3i5yA1 ASN 289 HA -0.01 0.06 0.58 -0.75 4.76 4.64 3i5yA1 ASN 289 HB2 -0.01 0.05 0.21 -0.04 2.88 3.09 3i5yA1 ASN 289 HB3 -0.01 -0.08 0.06 -0.04 2.79 2.71 3i5yA1 ASN 289 HD21 -0.02 -0.07 -0.06 -0.04 7.03 6.84 3i5yA1 ASN 289 HD22 -0.01 -0.10 -0.02 -0.04 7.74 7.57 3i5yA1 GLU 290 H -0.01 0.50 -0.05 -0.55 8.60 8.49 3i5yA1 GLU 290 HA -0.01 -0.01 0.44 -0.75 4.29 3.94 3i5yA1 GLU 290 HB2 -0.01 -0.07 0.12 -0.04 2.09 2.09 3i5yA1 GLU 290 HB3 -0.01 0.08 0.21 -0.04 1.99 2.23 3i5yA1 GLU 290 HG2 -0.01 0.02 -0.28 -0.04 2.34 2.03 3i5yA1 GLU 290 HG3 -0.01 -0.02 -0.04 -0.04 2.34 2.23 3i5yA1 LYS 291 H -0.01 0.43 -0.29 -0.55 8.42 8.00 3i5yA1 LYS 291 HA -0.02 0.03 0.24 -0.75 4.32 3.82 3i5yA1 LYS 291 HB2 0.02 0.11 -0.09 -0.04 1.87 1.87 3i5yA1 LYS 291 HB3 0.01 -0.09 -0.09 -0.04 1.79 1.59 3i5yA1 LYS 291 HG2 -0.00 -0.03 -0.06 -0.04 1.46 1.33 3i5yA1 LYS 291 HG3 0.01 -0.08 -0.11 -0.04 1.46 1.24 3i5yA1 LYS 291 HD2 0.03 -0.11 -0.20 -0.04 1.69 1.37 3i5yA1 LYS 291 HD3 0.00 0.05 -0.11 -0.04 1.68 1.58 3i5yA1 LYS 291 HE2 0.00 -0.01 -0.07 -0.04 2.99 2.88 3i5yA1 LYS 291 HE3 0.01 -0.07 -0.07 -0.04 2.99 2.82 3i5yA1 ASN 292 H -0.03 0.22 -0.53 -0.55 8.53 7.64 3i5yA1 ASN 292 HA -0.12 0.12 0.50 -0.75 4.76 4.50 3i5yA1 ASN 292 HB2 -0.03 0.24 0.19 -0.04 2.88 3.24 3i5yA1 ASN 292 HB3 -0.04 0.09 0.06 -0.04 2.79 2.86 3i5yA1 ASN 292 HD21 0.01 0.14 -0.06 -0.04 7.03 7.08 3i5yA1 ASN 292 HD22 -0.00 0.00 -0.02 -0.04 7.74 7.68 3i5yA1 SER 293 H -0.31 0.61 0.38 -0.55 8.46 8.59 3i5yA1 SER 293 HA -0.13 0.11 0.41 -0.75 4.49 4.12 3i5yA1 SER 293 HB2 -0.12 -0.08 0.09 -0.04 3.95 3.80 3i5yA1 SER 293 HB3 -0.52 0.01 0.12 -0.04 3.93 3.50 3i5yA1 LYS 294 H -0.05 0.06 -0.10 -0.55 8.42 7.77 3i5yA1 LYS 294 HA 0.00 0.13 0.79 -0.75 4.32 4.50 3i5yA1 LYS 294 HB2 0.01 0.01 0.13 -0.04 1.87 1.97 3i5yA1 LYS 294 HB3 0.01 -0.02 -0.01 -0.04 1.79 1.73 3i5yA1 LYS 294 HG2 0.04 -0.03 0.01 -0.04 1.46 1.44 3i5yA1 LYS 294 HG3 0.06 -0.01 -0.10 -0.04 1.46 1.36 3i5yA1 SER 295 H -0.02 0.22 0.08 -0.55 8.46 8.19 3i5yA1 SER 295 HA -0.02 0.17 0.43 -0.75 4.49 4.32 3i5yA1 SER 295 HB2 -0.01 -0.12 0.10 -0.04 3.95 3.88 3i5yA1 SER 295 HB3 -0.01 0.20 -0.13 -0.04 3.93 3.96 3i5yA1 ALA 296 H -0.01 0.13 0.14 -0.55 8.40 8.10 3i5yA1 ALA 296 HA -0.02 0.41 0.58 -0.75 4.34 4.56 3i5yA1 ALA 296 HB3 -0.01 -0.00 0.06 -0.04 1.41 1.42 3i5yA1 ASP 297 H -0.02 0.00 -0.29 -0.55 8.40 7.54 3i5yA1 ASP 297 HA -0.02 0.26 0.81 -0.75 4.63 4.92 3i5yA1 ASP 297 HB2 -0.02 0.08 0.02 -0.04 2.71 2.75 3i5yA1 ASP 297 HB3 -0.01 -0.02 -0.07 -0.04 2.70 2.55 3i5yA1 ASN 298 H -0.02 0.29 -0.35 -0.55 8.53 7.89 3i5yA1 ASN 298 HA -0.03 0.03 0.27 -0.75 4.76 4.27 3i5yA1 ASN 298 HB2 -0.02 -0.17 0.08 -0.04 2.88 2.74 3i5yA1 ASN 298 HB3 -0.02 0.09 0.10 -0.04 2.79 2.92 3i5yA1 ASN 298 HD21 0.03 -0.01 -0.09 -0.04 7.03 6.91 3i5yA1 ASN 298 HD22 0.00 0.17 -0.06 -0.04 7.74 7.81 3i5yA1 ILE 299 H -0.04 0.04 -0.16 -0.55 8.25 7.54 3i5yA1 ILE 299 HA -0.11 0.18 0.24 -0.75 4.18 3.74 3i5yA1 ILE 299 HB -0.03 -0.04 -0.06 -0.04 1.89 1.72 3i5yA1 ILE 299 HG12 -0.00 -0.05 -0.44 -0.04 1.49 0.96 3i5yA1 ILE 299 HG13 -0.02 0.03 -0.07 -0.04 1.21 1.11 3i5yA1 ILE 299 HG23 -0.03 -0.05 -0.40 -0.04 0.93 0.40 3i5yA1 ILE 299 HD13 0.01 -0.01 -0.20 -0.04 0.88 0.64 3i5yA1 LYS 300 H -0.29 0.62 0.38 -0.55 8.42 8.57 3i5yA1 LYS 300 HA -0.08 0.03 0.80 -0.75 4.32 4.32 3i5yA1 LYS 300 HB2 -0.58 0.05 0.25 -0.04 1.87 1.55 3i5yA1 LYS 300 HB3 -0.06 -0.03 0.13 -0.04 1.79 1.78 3i5yA1 LYS 300 HG2 -0.07 -0.08 0.01 -0.04 1.46 1.28 3i5yA1 LYS 300 HG3 -0.21 0.10 0.06 -0.04 1.46 1.37 3i5yA1 LYS 300 HD2 -0.29 -0.01 0.09 -0.04 1.69 1.44 3i5yA1 LYS 300 HD3 0.02 0.15 0.16 -0.04 1.68 1.97 3i5yA1 LYS 300 HE2 -0.10 -0.22 0.09 -0.04 2.99 2.72 3i5yA1 LYS 300 HE3 -0.13 -0.04 0.03 -0.04 2.99 2.81 3i5yA1 THR 301 H -0.01 0.13 0.25 -0.55 8.28 8.10 3i5yA1 THR 301 HA 0.01 0.30 1.09 -0.75 4.39 5.03 3i5yA1 THR 301 HB -0.03 -0.09 0.13 -0.04 4.32 4.29 3i5yA1 THR 301 HG23 -0.04 -0.02 -0.22 -0.04 1.22 0.90 3i5yA1 LEU 302 H 0.01 0.64 0.41 -0.55 8.37 8.89 3i5yA1 LEU 302 HA -0.04 0.33 1.10 -0.75 4.35 4.98 3i5yA1 LEU 302 HB2 0.06 -0.12 0.16 -0.04 1.64 1.70 3i5yA1 LEU 302 HB3 0.23 -0.02 -0.04 -0.04 1.64 1.77 3i5yA1 LEU 302 HG 0.20 0.05 -0.21 -0.04 1.64 1.63 3i5yA1 LEU 302 HD13 0.13 0.00 -0.11 -0.04 0.93 0.92 3i5yA1 LEU 302 HD23 0.14 0.06 -0.16 -0.04 0.89 0.89 3i5yA1 LEU 303 H -0.20 0.73 0.39 -0.55 8.37 8.74 3i5yA1 LEU 303 HA -0.06 0.19 1.07 -0.75 4.35 4.80 3i5yA1 LEU 303 HB2 -0.22 -0.05 0.16 -0.04 1.64 1.48 3i5yA1 LEU 303 HB3 -0.12 -0.13 0.00 -0.04 1.64 1.36 3i5yA1 LEU 303 HG -0.12 0.12 -0.15 -0.04 1.64 1.46 3i5yA1 LEU 303 HD13 -0.09 -0.01 -0.15 -0.04 0.93 0.64 3i5yA1 LEU 303 HD23 -0.06 0.02 -0.30 -0.04 0.89 0.50 3i5yA1 PHE 304 H 0.08 0.57 0.34 -0.55 8.34 8.77 3i5yA1 PHE 304 HA -0.03 0.41 1.02 -0.75 4.62 5.26 3i5yA1 PHE 304 HB2 -0.03 0.01 0.04 -0.04 3.15 3.14 3i5yA1 PHE 304 HB3 0.07 -0.12 -0.07 -0.04 3.06 2.89 3i5yA1 PHE 304 HD2 -0.01 -0.05 -0.26 -0.04 7.28 6.92 3i5yA1 PHE 304 HE2 0.06 0.01 -0.19 -0.04 7.38 7.22 3i5yA1 PHE 304 HZ 0.09 0.12 -0.25 -0.04 7.32 7.24 3i5yA1 SER 305 H 0.09 0.70 0.34 -0.55 8.46 9.05 3i5yA1 SER 305 HA 0.14 -0.02 0.39 -0.75 4.49 4.25 3i5yA1 SER 305 HB2 0.05 -0.08 0.03 -0.04 3.95 3.91 3i5yA1 SER 305 HB3 0.06 0.13 -0.24 -0.04 3.93 3.84 3i5yA1 ALA 306 H 0.26 0.07 0.14 -0.55 8.40 8.33 3i5yA1 ALA 306 HA 0.09 0.38 0.77 -0.75 4.34 4.83 3i5yA1 ALA 306 HB3 0.04 -0.00 0.05 -0.04 1.41 1.45 3i5yA1 THR 307 H 0.17 -0.04 -0.19 -0.55 8.28 7.67 3i5yA1 THR 307 HA 0.06 0.31 0.83 -0.75 4.39 4.83 3i5yA1 THR 307 HB 0.09 0.03 -0.01 -0.04 4.32 4.38 3i5yA1 THR 307 HG23 -0.08 0.02 -0.16 -0.04 1.22 0.97 3i5yA1 LEU 308 H 0.09 0.43 -0.02 -0.55 8.37 8.33 3i5yA1 LEU 308 HA 0.07 0.02 0.22 -0.75 4.35 3.90 3i5yA1 LEU 308 HB2 0.00 0.05 0.00 -0.04 1.64 1.65 3i5yA1 LEU 308 HB3 0.02 0.01 0.06 -0.04 1.64 1.69 3i5yA1 LEU 308 HG 0.01 -0.07 -0.37 -0.04 1.64 1.17 3i5yA1 LEU 308 HD13 -0.10 0.03 -0.38 -0.04 0.93 0.44 3i5yA1 LEU 308 HD23 -0.13 0.01 -0.28 -0.04 0.89 0.44 3i5yA1 ASP 309 H 0.09 0.05 0.08 -0.55 8.40 8.08 3i5yA1 ASP 309 HA 0.24 0.29 0.64 -0.75 4.63 5.04 3i5yA1 ASP 309 HB2 0.08 -0.05 0.20 -0.04 2.71 2.90 3i5yA1 ASP 309 HB3 0.08 0.19 -0.06 -0.04 2.70 2.87 3i5yA1 ASP 310 H 0.12 0.25 0.13 -0.55 8.40 8.35 3i5yA1 ASP 310 HA 0.20 0.15 0.49 -0.75 4.63 4.71 3i5yA1 ASP 310 HB2 0.08 -0.00 0.08 -0.04 2.71 2.83 3i5yA1 ASP 310 HB3 0.10 0.09 0.03 -0.04 2.70 2.88 3i5yA1 LYS 311 H 0.07 0.08 -0.18 -0.55 8.42 7.83 3i5yA1 LYS 311 HA 0.03 0.13 0.37 -0.75 4.32 4.10 3i5yA1 VAL 312 H 0.05 0.21 -0.45 -0.55 8.24 7.50 3i5yA1 VAL 312 HA 0.01 0.08 0.44 -0.75 4.13 3.92 3i5yA1 VAL 312 HB -0.01 0.02 -0.02 -0.04 2.12 2.06 3i5yA1 VAL 312 HG13 0.03 -0.05 0.01 -0.04 0.97 0.92 3i5yA1 VAL 312 HG23 -0.04 0.16 -0.19 -0.04 0.95 0.84 3i5yA1 GLN 313 H 0.03 0.32 -0.26 -0.55 8.47 8.01 3i5yA1 GLN 313 HA -0.03 0.07 0.46 -0.75 4.36 4.11 3i5yA1 LYS 314 H 0.02 0.22 -0.35 -0.55 8.42 7.75 3i5yA1 LYS 314 HA 0.01 0.18 0.61 -0.75 4.32 4.37 3i5yA1 LYS 314 HB2 0.02 -0.01 0.07 -0.04 1.87 1.90 3i5yA1 LYS 314 HB3 0.01 0.13 0.14 -0.04 1.79 2.03 3i5yA1 LYS 314 HG2 0.01 -0.02 -0.16 -0.04 1.46 1.24 3i5yA1 LYS 314 HG3 0.01 0.04 0.04 -0.04 1.46 1.50 3i5yA1 LEU 315 H 0.00 0.19 -0.10 -0.55 8.37 7.92 3i5yA1 LEU 315 HA 0.00 0.07 0.43 -0.75 4.35 4.10 3i5yA1 LEU 315 HB2 0.00 0.01 0.11 -0.04 1.64 1.72 3i5yA1 LEU 315 HB3 0.01 0.03 0.03 -0.04 1.64 1.67 3i5yA1 LEU 315 HG 0.01 0.04 0.05 -0.04 1.64 1.70 3i5yA1 LEU 315 HD13 0.01 -0.01 -0.05 -0.04 0.93 0.84 3i5yA1 LEU 315 HD23 0.01 0.01 0.02 -0.04 0.89 0.89 3i5yA1 ALA 316 H -0.01 0.38 -0.35 -0.55 8.40 7.88 3i5yA1 ALA 316 HA -0.02 0.07 0.51 -0.75 4.34 4.16 3i5yA1 ALA 316 HB3 -0.04 0.00 -0.04 -0.04 1.41 1.29 3i5yA1 ASN 317 H -0.01 0.27 -0.71 -0.55 8.53 7.54 3i5yA1 ASN 317 HA -0.01 0.11 0.24 -0.75 4.76 4.35 3i5yA1 ASN 317 HB2 -0.00 0.14 0.17 -0.04 2.88 3.15 3i5yA1 ASN 317 HB3 -0.00 -0.09 0.06 -0.04 2.79 2.71 3i5yA1 ASN 317 HD21 -0.00 -0.02 -0.03 -0.04 7.03 6.93 3i5yA1 ASN 317 HD22 -0.00 -0.06 -0.02 -0.04 7.74 7.63 3i5yA1 ASN 318 H -0.01 0.11 -0.31 -0.55 8.53 7.77 3i5yA1 ASN 318 HA -0.01 0.15 0.41 -0.75 4.76 4.56 3i5yA1 ASN 318 HB2 -0.00 -0.02 -0.03 -0.04 2.88 2.79 3i5yA1 ASN 318 HB3 -0.01 -0.00 0.08 -0.04 2.79 2.82 3i5yA1 ASN 318 HD21 -0.00 -0.03 -0.02 -0.04 7.03 6.93 3i5yA1 ASN 318 HD22 -0.00 -0.03 -0.02 -0.04 7.74 7.65 3i5yA1 ILE 319 H -0.01 0.63 -0.34 -0.55 8.25 7.97 3i5yA1 ILE 319 HA -0.01 0.21 0.82 -0.75 4.18 4.44 3i5yA1 ILE 319 HB -0.02 -0.04 0.06 -0.04 1.89 1.85 3i5yA1 ILE 319 HG12 -0.02 -0.02 -0.02 -0.04 1.49 1.39 3i5yA1 ILE 319 HG13 -0.02 0.11 -0.28 -0.04 1.21 0.97 3i5yA1 ILE 319 HG23 -0.01 -0.03 -0.28 -0.04 0.93 0.56 3i5yA1 ILE 319 HD13 -0.03 -0.05 -0.13 -0.04 0.88 0.64 3i5yA1 MET 320 H -0.02 0.37 -0.14 -0.55 8.47 8.14 3i5yA1 MET 320 HA -0.02 0.04 0.80 -0.75 4.52 4.59 3i5yA1 MET 320 HB2 -0.02 0.12 0.03 -0.04 2.15 2.24 3i5yA1 MET 320 HB3 -0.02 -0.03 -0.07 -0.04 2.03 1.86 3i5yA1 MET 320 HG2 -0.03 0.08 -0.27 -0.04 2.63 2.37 3i5yA1 MET 320 HG3 -0.03 -0.03 -0.27 -0.04 2.56 2.19 3i5yA1 MET 320 HE3 -0.07 -0.01 -0.17 -0.04 2.10 1.81 3i5yA1 ASN 321 H -0.02 0.14 0.10 -0.55 8.53 8.20 3i5yA1 ASN 321 HA -0.01 0.11 0.40 -0.75 4.76 4.50 3i5yA1 ASN 321 HB2 -0.03 0.16 0.05 -0.04 2.88 3.02 3i5yA1 ASN 321 HB3 -0.02 -0.10 0.03 -0.04 2.79 2.66 3i5yA1 ASN 321 HD21 -0.02 -0.05 -0.06 -0.04 7.03 6.86 3i5yA1 ASN 321 HD22 -0.03 0.25 -0.15 -0.04 7.74 7.77 3i5yA1 LYS 322 H -0.01 -0.05 -0.01 -0.55 8.42 7.80 3i5yA1 LYS 322 HA -0.01 0.09 0.25 -0.75 4.32 3.89 3i5yA1 LYS 322 HB2 0.02 -0.01 0.07 -0.04 1.87 1.90 3i5yA1 LYS 322 HB3 0.01 0.10 0.08 -0.04 1.79 1.95 3i5yA1 LYS 322 HG2 -0.02 -0.07 -0.00 -0.04 1.46 1.33 3i5yA1 LYS 322 HG3 0.00 0.01 -0.33 -0.04 1.46 1.09 3i5yA1 LYS 322 HD2 -0.03 -0.08 -0.09 -0.04 1.69 1.45 3i5yA1 LYS 322 HD3 -0.03 0.00 -0.18 -0.04 1.68 1.44 3i5yA1 LYS 322 HE2 -0.07 0.14 -0.39 -0.04 2.99 2.64 3i5yA1 LYS 322 HE3 -0.07 -0.07 -0.12 -0.04 2.99 2.69 3i5yA1 LYS 323 H 0.01 0.14 0.23 -0.55 8.42 8.25 3i5yA1 LYS 323 HA 0.01 0.17 0.55 -0.75 4.32 4.29 3i5yA1 LYS 323 HB2 0.01 -0.01 0.13 -0.04 1.87 1.96 3i5yA1 LYS 323 HB3 0.01 -0.06 0.12 -0.04 1.79 1.81 3i5yA1 LYS 323 HG2 -0.00 0.02 0.10 -0.04 1.46 1.55 3i5yA1 LYS 323 HG3 0.00 -0.05 0.06 -0.04 1.46 1.43 3i5yA1 GLU 324 H 0.04 0.17 0.12 -0.55 8.60 8.38 3i5yA1 GLU 324 HA 0.03 0.24 0.92 -0.75 4.29 4.73 3i5yA1 GLU 324 HB2 0.10 0.07 0.05 -0.04 2.09 2.28 3i5yA1 GLU 324 HB3 0.09 -0.03 -0.07 -0.04 1.99 1.94 3i5yA1 GLU 324 HG2 0.04 0.01 -0.03 -0.04 2.34 2.32 3i5yA1 GLU 324 HG3 0.04 -0.03 -0.10 -0.04 2.34 2.20 3i5yA1 CYS 325 H 0.02 0.43 0.18 -0.55 8.50 8.58 3i5yA1 CYS 325 HA -0.03 0.18 0.61 -0.75 4.58 4.59 3i5yA1 CYS 325 HB2 -0.02 0.11 -0.24 -0.04 2.97 2.79 3i5yA1 CYS 325 HB3 -0.02 -0.07 0.03 -0.04 2.97 2.87 3i5yA1 LEU 326 H -0.15 0.59 0.17 -0.55 8.37 8.43 3i5yA1 LEU 326 HA -0.04 0.10 0.73 -0.75 4.35 4.39 3i5yA1 LEU 326 HB2 -0.30 0.13 0.20 -0.04 1.64 1.62 3i5yA1 LEU 326 HB3 -0.13 -0.02 -0.06 -0.04 1.64 1.39 3i5yA1 LEU 326 HG -0.06 0.00 0.00 -0.04 1.64 1.54 3i5yA1 LEU 326 HD13 -0.15 -0.01 -0.10 -0.04 0.93 0.63 3i5yA1 LEU 326 HD23 -0.25 0.02 -0.04 -0.04 0.89 0.58 3i5yA1 PHE 327 H 0.05 0.73 0.25 -0.55 8.34 8.82 3i5yA1 PHE 327 HA -0.15 0.15 0.87 -0.75 4.62 4.74 3i5yA1 PHE 327 HB2 -0.27 0.03 -0.13 -0.04 3.15 2.74 3i5yA1 PHE 327 HB3 -0.31 -0.12 0.15 -0.04 3.06 2.73 3i5yA1 PHE 327 HD2 -0.18 0.05 -0.50 -0.04 7.28 6.60 3i5yA1 PHE 327 HE2 -0.06 -0.07 -0.41 -0.04 7.38 6.80 3i5yA1 PHE 327 HZ -0.04 0.07 -0.31 -0.04 7.32 7.00 3i5yA1 LEU 328 H -0.08 0.89 0.23 -0.55 8.37 8.87 3i5yA1 LEU 328 HA 0.08 0.20 0.79 -0.75 4.35 4.67 3i5yA1 LEU 328 HB2 -0.06 -0.05 0.18 -0.04 1.64 1.67 3i5yA1 LEU 328 HB3 0.02 0.01 -0.04 -0.04 1.64 1.59 3i5yA1 LEU 328 HG -0.07 -0.00 -0.11 -0.04 1.64 1.41 3i5yA1 LEU 328 HD13 -0.02 0.04 -0.06 -0.04 0.93 0.85 3i5yA1 LEU 328 HD23 0.00 0.01 -0.10 -0.04 0.89 0.77 3i5yA1 ASP 329 H 0.11 0.62 0.27 -0.55 8.40 8.85 3i5yA1 ASP 329 HA 0.16 0.05 0.95 -0.75 4.63 5.04 3i5yA1 ASP 329 HB2 0.05 -0.01 -0.09 -0.04 2.71 2.61 3i5yA1 ASP 329 HB3 0.03 -0.05 0.08 -0.04 2.70 2.72 3i5yA1 THR 330 H 0.08 0.54 0.34 -0.55 8.28 8.69 3i5yA1 THR 330 HA 0.04 0.19 0.87 -0.75 4.39 4.75 3i5yA1 THR 330 HB 0.04 -0.04 0.14 -0.04 4.32 4.42 3i5yA1 THR 330 HG23 0.06 -0.00 -0.21 -0.04 1.22 1.02 3i5yA1 VAL 331 H 0.06 0.10 0.05 -0.55 8.24 7.89 3i5yA1 VAL 331 HA 0.02 0.14 0.81 -0.75 4.13 4.34 3i5yA1 VAL 331 HB 0.05 0.00 -0.03 -0.04 2.12 2.09 3i5yA1 VAL 331 HG13 0.01 0.06 -0.11 -0.04 0.97 0.90 3i5yA1 VAL 331 HG23 0.05 -0.00 -0.15 -0.04 0.95 0.81 3i5yA1 ASP 332 H 0.00 0.13 0.09 -0.55 8.40 8.07 3i5yA1 ASP 332 HA -0.01 0.05 0.47 -0.75 4.63 4.39 3i5yA1 ASP 332 HB2 -0.01 -0.02 0.13 -0.04 2.71 2.77 3i5yA1 ASP 332 HB3 -0.01 -0.09 0.11 -0.04 2.70 2.66 3i5yA1 LYS 333 H -0.03 0.10 0.17 -0.55 8.42 8.11 3i5yA1 LYS 333 HA -0.04 0.09 0.35 -0.75 4.32 3.96 3i5yA1 ASN 334 H -0.02 -0.06 -0.13 -0.55 8.53 7.77 3i5yA1 ASN 334 HA -0.01 0.22 0.71 -0.75 4.76 4.93 3i5yA1 ASN 334 HB2 -0.02 -0.07 0.02 -0.04 2.88 2.77 3i5yA1 ASN 334 HB3 -0.01 0.05 -0.02 -0.04 2.79 2.77 3i5yA1 ASN 334 HD21 -0.02 0.00 -0.03 -0.04 7.03 6.94 3i5yA1 ASN 334 HD22 -0.02 -0.01 -0.01 -0.04 7.74 7.66 3i5yA1 GLU 335 H -0.01 -0.17 -0.24 -0.55 8.60 7.63 3i5yA1 GLU 335 HA -0.01 0.06 0.38 -0.75 4.29 3.97 3i5yA1 GLU 335 HB2 -0.01 -0.10 0.12 -0.04 2.09 2.06 3i5yA1 GLU 335 HB3 -0.00 -0.07 0.09 -0.04 1.99 1.97 3i5yA1 GLU 335 HG2 -0.01 0.34 -0.19 -0.04 2.34 2.43 3i5yA1 GLU 335 HG3 -0.02 0.01 0.07 -0.04 2.34 2.37 3i5yA1 PRO 336 HA 0.00 0.16 0.51 -0.51 4.44 4.60 3i5yA1 PRO 336 HB2 0.01 -0.15 -0.02 -0.04 2.28 2.08 3i5yA1 PRO 336 HB3 0.00 0.30 0.08 -0.04 2.02 2.36 3i5yA1 PRO 336 HG2 -0.00 0.00 0.10 -0.04 2.03 2.09 3i5yA1 PRO 336 HG3 -0.00 0.05 0.15 -0.04 2.03 2.19 3i5yA1 PRO 336 HD2 -0.01 -0.03 0.24 -0.04 3.68 3.85 3i5yA1 PRO 336 HD3 -0.01 0.16 0.24 -0.04 3.65 4.00 3i5yA1 GLU 337 H 0.01 0.13 0.18 -0.55 8.60 8.38 3i5yA1 GLU 337 HA 0.01 0.10 0.33 -0.75 4.29 3.98 3i5yA1 GLU 337 HB2 0.00 -0.08 0.15 -0.04 2.09 2.13 3i5yA1 GLU 337 HB3 -0.02 -0.02 0.04 -0.04 1.99 1.95 3i5yA1 GLU 337 HG2 0.03 0.06 0.09 -0.04 2.34 2.48 3i5yA1 GLU 337 HG3 0.02 0.15 0.02 -0.04 2.34 2.49 3i5yA1 ALA 338 H 0.02 0.00 -0.14 -0.55 8.40 7.74 3i5yA1 ALA 338 HA 0.01 -0.03 0.41 -0.75 4.34 3.97 3i5yA1 ALA 338 HB3 0.06 0.01 -0.05 -0.04 1.41 1.39 3i5yA1 HIS 339 H 0.10 0.10 0.15 -0.55 8.41 8.22 3i5yA1 HIS 339 HA 0.00 0.07 0.55 -0.75 4.63 4.50 3i5yA1 HIS 339 HB2 -0.01 -0.02 0.19 -0.04 3.26 3.39 3i5yA1 HIS 339 HB3 -0.00 0.02 0.13 -0.04 3.20 3.31 3i5yA1 HIS 339 HD2 0.01 -0.13 -0.08 -0.04 6.97 6.72 3i5yA1 HIS 339 HE1 0.00 -0.08 0.02 -0.04 7.75 7.64 3i5yA1 GLU 340 H -0.35 0.13 0.21 -0.55 8.60 8.04 3i5yA1 GLU 340 HA -0.03 0.11 0.21 -0.75 4.29 3.83 3i5yA1 GLU 340 HB2 -0.06 0.01 0.07 -0.04 2.09 2.07 3i5yA1 GLU 340 HB3 -0.09 0.05 0.14 -0.04 1.99 2.04 3i5yA1 GLU 340 HG2 -0.20 -0.01 0.00 -0.04 2.34 2.09 3i5yA1 GLU 340 HG3 -0.10 0.01 0.00 -0.04 2.34 2.21 3i5yA1 ARG 341 H -0.09 0.01 -0.20 -0.55 8.46 7.62 3i5yA1 ARG 341 HA 0.04 0.07 0.41 -0.75 4.34 4.11 3i5yA1 ARG 341 HB2 0.13 -0.09 0.06 -0.04 1.90 1.96 3i5yA1 ARG 341 HB3 0.25 0.11 -0.04 -0.04 1.80 2.07 3i5yA1 ARG 341 HG2 0.08 -0.04 0.08 -0.04 1.67 1.75 3i5yA1 ARG 341 HG3 0.06 -0.05 0.04 -0.04 1.67 1.68 3i5yA1 ARG 341 HD2 0.09 0.29 -0.22 -0.04 3.22 3.35 3i5yA1 ARG 341 HD3 0.06 -0.03 -0.09 -0.04 3.22 3.11 3i5yA1 ILE 342 H 0.16 0.19 -0.36 -0.55 8.25 7.68 3i5yA1 ILE 342 HA 0.08 0.20 0.46 -0.75 4.18 4.16 3i5yA1 ILE 342 HB 0.07 0.07 0.03 -0.04 1.89 2.02 3i5yA1 ILE 342 HG12 0.05 0.05 -0.25 -0.04 1.49 1.30 3i5yA1 ILE 342 HG13 0.14 -0.10 -0.07 -0.04 1.21 1.14 3i5yA1 ILE 342 HG23 0.04 -0.05 -0.43 -0.04 0.93 0.45 3i5yA1 ILE 342 HD13 0.03 -0.02 -0.15 -0.04 0.88 0.69 3i5yA1 ASP 343 H 0.06 0.60 0.44 -0.55 8.40 8.95 3i5yA1 ASP 343 HA 0.04 0.08 0.69 -0.75 4.63 4.69 3i5yA1 ASP 343 HB2 0.05 0.07 0.19 -0.04 2.71 2.97 3i5yA1 ASP 343 HB3 0.06 -0.05 0.33 -0.04 2.70 3.00 3i5yA1 GLN 344 H 0.05 0.20 0.22 -0.55 8.47 8.39 3i5yA1 GLN 344 HA 0.06 0.14 0.60 -0.75 4.36 4.41 3i5yA1 GLN 344 HB2 0.07 -0.06 0.09 -0.04 2.15 2.22 3i5yA1 GLN 344 HB3 0.12 -0.04 -0.03 -0.04 2.02 2.03 3i5yA1 GLN 344 HG2 0.08 -0.03 -0.14 -0.04 2.40 2.27 3i5yA1 GLN 344 HG3 0.07 0.22 -0.17 -0.04 2.39 2.46 3i5yA1 GLN 344 HE21 0.10 -0.08 -0.13 -0.04 6.97 6.81 3i5yA1 GLN 344 HE22 0.06 0.24 -0.07 -0.04 7.69 7.88 3i5yA1 SER 345 H 0.03 0.48 0.38 -0.55 8.46 8.80 3i5yA1 SER 345 HA 0.01 0.19 0.58 -0.75 4.49 4.51 3i5yA1 SER 345 HB2 -0.01 -0.00 0.05 -0.04 3.95 3.95 3i5yA1 SER 345 HB3 0.01 0.05 -0.12 -0.04 3.93 3.83 3i5yA1 VAL 346 H -0.02 0.79 0.37 -0.55 8.24 8.83 3i5yA1 VAL 346 HA -0.11 0.09 1.05 -0.75 4.13 4.40 3i5yA1 VAL 346 HB 0.00 -0.04 0.00 -0.04 2.12 2.05 3i5yA1 VAL 346 HG13 0.00 0.00 0.03 -0.04 0.97 0.96 3i5yA1 VAL 346 HG23 0.01 0.01 -0.15 -0.04 0.95 0.78 3i5yA1 VAL 347 H -0.17 0.73 0.31 -0.55 8.24 8.55 3i5yA1 VAL 347 HA 0.02 0.26 0.93 -0.75 4.13 4.59 3i5yA1 VAL 347 HB -0.15 -0.06 0.08 -0.04 2.12 1.95 3i5yA1 VAL 347 HG13 0.17 -0.00 -0.29 -0.04 0.97 0.81 3i5yA1 VAL 347 HG23 -0.09 0.01 -0.24 -0.04 0.95 0.58 3i5yA1 ILE 348 H 0.08 0.77 0.31 -0.55 8.25 8.85 3i5yA1 ILE 348 HA 0.08 0.16 0.57 -0.75 4.18 4.23 3i5yA1 ILE 348 HB 0.06 -0.02 0.12 -0.04 1.89 2.01 3i5yA1 ILE 348 HG12 0.05 -0.02 -0.17 -0.04 1.49 1.30 3i5yA1 ILE 348 HG13 0.04 -0.04 -0.22 -0.04 1.21 0.95 3i5yA1 ILE 348 HG23 0.06 -0.00 -0.24 -0.04 0.93 0.71 3i5yA1 ILE 348 HD13 0.04 0.00 -0.08 -0.04 0.88 0.80 3i5yA1 SER 349 H 0.11 0.82 0.47 -0.55 8.46 9.32 3i5yA1 SER 349 HA 0.18 0.24 0.85 -0.75 4.49 5.01 3i5yA1 SER 349 HB2 0.10 0.10 0.04 -0.04 3.95 4.15 3i5yA1 SER 349 HB3 0.15 -0.22 0.17 -0.04 3.93 3.99 3i5yA1 GLU 350 H 0.09 0.19 0.28 -0.55 8.60 8.61 3i5yA1 GLU 350 HA 0.04 0.10 0.74 -0.75 4.29 4.43 3i5yA1 GLU 350 HB2 0.04 0.07 0.19 -0.04 2.09 2.34 3i5yA1 GLU 350 HB3 0.04 0.00 0.09 -0.04 1.99 2.08 3i5yA1 GLU 350 HG2 0.02 0.03 0.05 -0.04 2.34 2.40 3i5yA1 GLU 350 HG3 0.02 -0.03 0.14 -0.04 2.34 2.43 3i5yA1 LYS 351 H 0.08 0.07 0.13 -0.55 8.42 8.14 3i5yA1 LYS 351 HA 0.05 0.26 0.86 -0.75 4.32 4.73 3i5yA1 LYS 351 HB2 0.09 -0.08 0.05 -0.04 1.87 1.89 3i5yA1 LYS 351 HB3 0.08 -0.03 0.09 -0.04 1.79 1.89 3i5yA1 LYS 351 HG2 0.04 0.13 -0.03 -0.04 1.46 1.56 3i5yA1 LYS 351 HG3 0.05 -0.04 -0.18 -0.04 1.46 1.25 3i5yA1 LYS 351 HD2 0.04 0.08 -0.02 -0.04 1.69 1.75 3i5yA1 LYS 351 HD3 0.07 -0.03 -0.01 -0.04 1.68 1.66 3i5yA1 LYS 351 HE2 0.05 0.10 -0.01 -0.04 2.99 3.09 3i5yA1 LYS 351 HE3 0.06 -0.12 -0.02 -0.04 2.99 2.87 3i5yA1 PHE 352 H 0.13 0.28 0.09 -0.55 8.34 8.30 3i5yA1 PHE 352 HA -0.04 0.06 0.40 -0.75 4.62 4.28 3i5yA1 PHE 352 HB2 -0.19 0.01 0.02 -0.04 3.15 2.95 3i5yA1 PHE 352 HB3 -0.13 0.09 0.10 -0.04 3.06 3.08 3i5yA1 PHE 352 HD2 -0.14 -0.04 -0.07 -0.04 7.28 7.00 3i5yA1 PHE 352 HE2 -0.19 0.01 -0.06 -0.04 7.38 7.10 3i5yA1 PHE 352 HZ -0.47 0.04 -0.07 -0.04 7.32 6.79 3i5yA1 ALA 353 H 0.14 0.17 -0.01 -0.55 8.40 8.16 3i5yA1 ALA 353 HA -0.13 0.10 0.39 -0.75 4.34 3.94 3i5yA1 ALA 353 HB3 0.09 0.04 0.06 -0.04 1.41 1.56 3i5yA1 ASN 354 H 0.06 0.05 -0.52 -0.55 8.53 7.57 3i5yA1 ASN 354 HA 0.41 0.07 0.40 -0.75 4.76 4.89 3i5yA1 ASN 354 HB2 0.14 0.15 0.09 -0.04 2.88 3.22 3i5yA1 ASN 354 HB3 0.34 0.04 0.03 -0.04 2.79 3.16 3i5yA1 ASN 354 HD21 0.08 0.12 0.09 -0.04 7.03 7.27 3i5yA1 ASN 354 HD22 0.11 -0.08 0.18 -0.04 7.74 7.92 3i5yA1 SER 355 H -0.17 0.50 -0.39 -0.55 8.46 7.86 3i5yA1 SER 355 HA -0.13 0.02 0.41 -0.75 4.49 4.04 3i5yA1 SER 355 HB2 -0.41 0.12 0.02 -0.04 3.95 3.64 3i5yA1 SER 355 HB3 -0.09 0.03 -0.00 -0.04 3.93 3.83 3i5yA1 ILE 356 H -0.34 0.42 -0.24 -0.55 8.25 7.54 3i5yA1 ILE 356 HA -0.23 0.07 0.50 -0.75 4.18 3.76 3i5yA1 ILE 356 HB -0.74 0.16 0.11 -0.04 1.89 1.37 3i5yA1 ILE 356 HG12 0.06 -0.01 0.01 -0.04 1.49 1.51 3i5yA1 ILE 356 HG13 -0.13 -0.04 0.05 -0.04 1.21 1.05 3i5yA1 ILE 356 HG23 -0.30 0.00 -0.13 -0.04 0.93 0.45 3i5yA1 ILE 356 HD13 0.22 -0.00 -0.01 -0.04 0.88 1.05 3i5yA1 PHE 357 H -0.36 0.26 -0.23 -0.55 8.34 7.46 3i5yA1 PHE 357 HA -0.02 0.10 0.36 -0.75 4.62 4.31 3i5yA1 PHE 357 HB2 0.21 0.06 0.08 -0.04 3.15 3.47 3i5yA1 PHE 357 HB3 0.13 -0.05 -0.03 -0.04 3.06 3.06 3i5yA1 PHE 357 HD2 0.06 -0.02 -0.06 -0.04 7.28 7.22 3i5yA1 PHE 357 HE2 0.03 -0.00 -0.11 -0.04 7.38 7.26 3i5yA1 PHE 357 HZ 0.05 0.09 -0.08 -0.04 7.32 7.34 3i5yA1 ALA 358 H -0.19 0.57 -0.01 -0.55 8.40 8.23 3i5yA1 ALA 358 HA -0.89 0.02 0.38 -0.75 4.34 3.09 3i5yA1 ALA 358 HB3 -0.71 0.02 0.00 -0.04 1.41 0.68 3i5yA1 ALA 359 H -0.59 0.47 -0.39 -0.55 8.40 7.34 3i5yA1 ALA 359 HA -0.91 0.01 0.25 -0.75 4.34 2.94 3i5yA1 ALA 359 HB3 -0.51 0.03 0.04 -0.04 1.41 0.93 3i5yA1 VAL 360 H -0.11 0.44 -0.21 -0.55 8.24 7.81 3i5yA1 VAL 360 HA 0.24 0.03 0.38 -0.75 4.13 4.02 3i5yA1 VAL 360 HB 0.09 0.05 0.14 -0.04 2.12 2.35 3i5yA1 VAL 360 HG13 0.05 -0.01 -0.17 -0.04 0.97 0.81 3i5yA1 VAL 360 HG23 0.01 0.07 0.00 -0.04 0.95 0.98 3i5yA1 GLU 361 H 0.04 0.58 -0.15 -0.55 8.60 8.52 3i5yA1 GLU 361 HA 0.11 0.02 0.35 -0.75 4.29 4.02 3i5yA1 GLU 361 HB2 0.08 0.10 0.10 -0.04 2.09 2.33 3i5yA1 GLU 361 HB3 0.12 -0.03 -0.01 -0.04 1.99 2.03 3i5yA1 GLU 361 HG2 0.11 -0.01 0.01 -0.04 2.34 2.40 3i5yA1 GLU 361 HG3 0.17 0.10 0.01 -0.04 2.34 2.58 3i5yA1 HIS 362 H 0.08 0.47 -0.31 -0.55 8.41 8.11 3i5yA1 HIS 362 HA 0.03 0.02 0.39 -0.75 4.63 4.33 3i5yA1 HIS 362 HB2 0.14 0.04 0.02 -0.04 3.26 3.42 3i5yA1 HIS 362 HB3 0.05 0.09 0.10 -0.04 3.20 3.40 3i5yA1 HIS 362 HD2 0.15 0.01 -0.28 -0.04 6.97 6.81 3i5yA1 HIS 362 HE1 0.07 0.02 -0.12 -0.04 7.75 7.67 3i5yA1 ILE 363 H 0.08 0.63 -0.03 -0.55 8.25 8.39 3i5yA1 ILE 363 HA -0.14 0.00 0.33 -0.75 4.18 3.61 3i5yA1 ILE 363 HB -0.24 0.09 0.10 -0.04 1.89 1.80 3i5yA1 ILE 363 HG12 0.11 -0.02 -0.07 -0.04 1.49 1.47 3i5yA1 ILE 363 HG13 0.10 0.03 0.02 -0.04 1.21 1.32 3i5yA1 ILE 363 HG23 -1.01 -0.00 -0.20 -0.04 0.93 -0.32 3i5yA1 ILE 363 HD13 -0.01 -0.02 -0.14 -0.04 0.88 0.68 3i5yA1 LYS 364 H 0.12 0.59 -0.25 -0.55 8.42 8.33 3i5yA1 LYS 364 HA 0.19 0.03 0.41 -0.75 4.32 4.19 3i5yA1 LYS 364 HB2 0.37 0.06 0.08 -0.04 1.87 2.33 3i5yA1 LYS 364 HB3 0.12 0.12 0.12 -0.04 1.79 2.12 3i5yA1 LYS 364 HG2 0.07 -0.02 -0.18 -0.04 1.46 1.29 3i5yA1 LYS 364 HG3 0.17 0.00 0.02 -0.04 1.46 1.61 3i5yA1 LYS 364 HD2 0.07 -0.04 -0.03 -0.04 1.69 1.64 3i5yA1 LYS 364 HD3 0.05 -0.03 -0.04 -0.04 1.68 1.62 3i5yA1 LYS 364 HE2 0.05 0.06 -0.03 -0.04 2.99 3.03 3i5yA1 LYS 364 HE3 0.06 -0.02 -0.09 -0.04 2.99 2.90 3i5yA1 LYS 365 H -0.07 0.47 -0.25 -0.55 8.42 8.02 3i5yA1 LYS 365 HA -0.07 -0.00 0.45 -0.75 4.32 3.94 3i5yA1 LYS 365 HB2 -0.05 0.03 0.13 -0.04 1.87 1.94 3i5yA1 LYS 365 HB3 -0.20 0.13 0.13 -0.04 1.79 1.81 3i5yA1 LYS 365 HG2 -0.13 -0.01 -0.11 -0.04 1.46 1.18 3i5yA1 LYS 365 HG3 -0.06 -0.04 0.06 -0.04 1.46 1.37 3i5yA1 LYS 365 HD2 -0.01 -0.03 -0.02 -0.04 1.69 1.59 3i5yA1 LYS 365 HD3 -0.08 0.00 -0.05 -0.04 1.68 1.52 3i5yA1 LYS 365 HE2 -0.04 0.01 -0.04 -0.04 2.99 2.89 3i5yA1 LYS 365 HE3 -0.02 -0.01 -0.01 -0.04 2.99 2.90 3i5yA1 GLN 366 H -0.35 0.46 -0.19 -0.55 8.47 7.85 3i5yA1 GLN 366 HA -0.35 0.05 0.53 -0.75 4.36 3.83 3i5yA1 GLN 366 HB2 -0.98 0.08 0.06 -0.04 2.15 1.27 3i5yA1 GLN 366 HB3 -1.35 -0.01 -0.09 -0.04 2.02 0.53 3i5yA1 GLN 366 HG2 -0.64 0.17 -0.07 -0.04 2.40 1.82 3i5yA1 GLN 366 HG3 -0.43 -0.05 -0.13 -0.04 2.39 1.74 3i5yA1 GLN 366 HE21 -0.14 -0.00 -0.09 -0.04 6.97 6.69 3i5yA1 GLN 366 HE22 -0.60 -0.01 -0.12 -0.04 7.69 6.92 3i5yA1 ILE 367 H -0.31 0.61 -0.09 -0.55 8.25 7.91 3i5yA1 ILE 367 HA -0.12 -0.01 0.35 -0.75 4.18 3.64 3i5yA1 ILE 367 HB -0.07 0.12 0.13 -0.04 1.89 2.03 3i5yA1 ILE 367 HG12 -0.03 0.01 -0.04 -0.04 1.49 1.39 3i5yA1 ILE 367 HG13 -0.22 0.02 -0.01 -0.04 1.21 0.96 3i5yA1 ILE 367 HG23 0.02 -0.00 -0.14 -0.04 0.93 0.76 3i5yA1 ILE 367 HD13 -0.24 -0.02 -0.12 -0.04 0.88 0.46 3i5yA1 LYS 368 H -0.09 0.42 -0.21 -0.55 8.42 7.98 3i5yA1 LYS 368 HA -0.03 0.05 0.48 -0.75 4.32 4.06 3i5yA1 LYS 368 HB2 -0.02 0.04 0.11 -0.04 1.87 1.96 3i5yA1 LYS 368 HB3 -0.05 0.07 0.11 -0.04 1.79 1.88 3i5yA1 GLU 369 H -0.11 0.39 -0.22 -0.55 8.60 8.11 3i5yA1 GLU 369 HA -0.05 0.03 0.32 -0.75 4.29 3.83 3i5yA1 GLU 369 HB2 -0.13 0.09 0.19 -0.04 2.09 2.20 3i5yA1 GLU 369 HB3 -0.08 -0.04 0.01 -0.04 1.99 1.84 3i5yA1 GLU 369 HG2 -0.05 -0.06 0.03 -0.04 2.34 2.22 3i5yA1 GLU 369 HG3 -0.07 0.08 0.10 -0.04 2.34 2.40 3i5yA1 ARG 370 H -0.12 0.61 -0.14 -0.55 8.46 8.26 3i5yA1 ARG 370 HA -0.06 0.14 0.74 -0.75 4.34 4.40 3i5yA1 ARG 370 HB2 -0.08 -0.04 -0.14 -0.04 1.90 1.59 3i5yA1 ARG 370 HB3 -0.08 0.11 0.11 -0.04 1.80 1.90 3i5yA1 ARG 370 HG2 -0.12 -0.03 -0.03 -0.04 1.67 1.46 3i5yA1 ARG 370 HG3 -0.16 -0.04 -0.01 -0.04 1.67 1.41 3i5yA1 ARG 370 HD2 -0.22 -0.06 -0.16 -0.04 3.22 2.73 3i5yA1 ARG 370 HD3 -0.09 0.21 0.01 -0.04 3.22 3.31 3i5yA1 ASP 371 H -0.04 0.30 -0.59 -0.55 8.40 7.51 3i5yA1 ASP 371 HA -0.02 0.07 0.35 -0.75 4.63 4.28 3i5yA1 ASP 371 HB2 -0.02 0.00 -0.06 -0.04 2.71 2.59 3i5yA1 ASP 371 HB3 -0.01 0.08 0.06 -0.04 2.70 2.78 3i5yA1 SER 372 H -0.02 0.49 -0.05 -0.55 8.46 8.33 3i5yA1 SER 372 HA 0.03 -0.08 0.27 -0.75 4.49 3.95 3i5yA1 SER 372 HB2 0.02 0.14 0.08 -0.04 3.95 4.15 3i5yA1 SER 372 HB3 0.04 0.12 0.22 -0.04 3.93 4.26 3i5yA1 ASN 373 H 0.01 0.57 -0.69 -0.55 8.53 7.88 3i5yA1 ASN 373 HA 0.07 0.07 0.65 -0.75 4.76 4.80 3i5yA1 ASN 373 HB2 -0.01 0.03 0.25 -0.04 2.88 3.11 3i5yA1 ASN 373 HB3 0.04 -0.06 0.14 -0.04 2.79 2.88 3i5yA1 ASN 373 HD21 0.00 -0.10 0.05 -0.04 7.03 6.93 3i5yA1 ASN 373 HD22 -0.01 -0.04 0.07 -0.04 7.74 7.73 3i5yA1 TYR 374 H 0.16 0.43 -0.13 -0.55 8.29 8.20 3i5yA1 TYR 374 HA 0.13 0.13 0.87 -0.75 4.56 4.93 3i5yA1 TYR 374 HB2 -0.04 0.01 -0.46 -0.04 3.06 2.53 3i5yA1 TYR 374 HB3 -0.01 0.00 -0.12 -0.04 2.98 2.81 3i5yA1 TYR 374 HD2 -0.05 0.05 -0.11 -0.04 7.15 7.00 3i5yA1 TYR 374 HE2 0.01 -0.03 -0.14 -0.04 6.85 6.64 3i5yA1 LYS 375 H 0.46 0.20 0.23 -0.55 8.42 8.76 3i5yA1 LYS 375 HA -0.12 0.22 1.03 -0.75 4.32 4.69 3i5yA1 LYS 375 HB2 -0.21 0.24 0.01 -0.04 1.87 1.87 3i5yA1 LYS 375 HB3 -0.40 -0.07 0.32 -0.04 1.79 1.60 3i5yA1 LYS 375 HG2 -0.38 -0.12 -0.15 -0.04 1.46 0.77 3i5yA1 LYS 375 HG3 -0.40 -0.09 -0.26 -0.04 1.46 0.68 3i5yA1 LYS 375 HD2 -0.37 0.10 -0.21 -0.04 1.69 1.17 3i5yA1 LYS 375 HD3 -0.41 0.02 -0.31 -0.04 1.68 0.94 3i5yA1 LYS 375 HE2 -1.56 -0.26 -0.19 -0.04 2.99 0.94 3i5yA1 LYS 375 HE3 -1.03 -0.11 -0.19 -0.04 2.99 1.61 3i5yA1 ALA 376 H -0.10 0.78 0.40 -0.55 8.40 8.94 3i5yA1 ALA 376 HA -0.15 0.22 1.04 -0.75 4.34 4.69 3i5yA1 ALA 376 HB3 -0.46 -0.02 -0.12 -0.04 1.41 0.76 3i5yA1 ILE 377 H -0.05 0.59 0.40 -0.55 8.25 8.64 3i5yA1 ILE 377 HA -0.28 0.22 1.04 -0.75 4.18 4.41 3i5yA1 ILE 377 HB -0.09 -0.02 0.17 -0.04 1.89 1.91 3i5yA1 ILE 377 HG12 -0.21 -0.01 -0.07 -0.04 1.49 1.16 3i5yA1 ILE 377 HG13 0.08 -0.01 -0.24 -0.04 1.21 1.00 3i5yA1 ILE 377 HG23 -0.66 -0.02 -0.16 -0.04 0.93 0.05 3i5yA1 ILE 377 HD13 0.23 0.01 -0.10 -0.04 0.88 0.98 3i5yA1 ILE 378 H -0.23 0.75 0.32 -0.55 8.25 8.54 3i5yA1 ILE 378 HA -0.00 0.28 1.08 -0.75 4.18 4.78 3i5yA1 ILE 378 HB -0.00 -0.00 -0.08 -0.04 1.89 1.76 3i5yA1 ILE 378 HG12 0.05 -0.02 -0.32 -0.04 1.49 1.16 3i5yA1 ILE 378 HG13 0.10 0.00 -0.15 -0.04 1.21 1.12 3i5yA1 ILE 378 HG23 -0.07 -0.01 -0.02 -0.04 0.93 0.80 3i5yA1 ILE 378 HD13 -0.01 -0.01 -0.12 -0.04 0.88 0.70 3i5yA1 PHE 379 H 0.22 0.69 0.34 -0.55 8.34 9.04 3i5yA1 PHE 379 HA 0.08 0.33 0.93 -0.75 4.62 5.21 3i5yA1 PHE 379 HB2 0.09 -0.00 0.09 -0.04 3.15 3.28 3i5yA1 PHE 379 HB3 0.09 -0.08 -0.08 -0.04 3.06 2.94 3i5yA1 PHE 379 HD2 0.07 0.04 -0.26 -0.04 7.28 7.10 3i5yA1 PHE 379 HE2 0.09 0.01 -0.33 -0.04 7.38 7.10 3i5yA1 PHE 379 HZ 0.12 0.23 -0.08 -0.04 7.32 7.55 3i5yA1 ALA 380 H 0.27 0.52 0.36 -0.55 8.40 9.00 3i5yA1 ALA 380 HA 0.31 0.38 0.75 -0.75 4.34 5.02 3i5yA1 ALA 380 HB3 0.40 -0.02 -0.09 -0.04 1.41 1.65 3i5yA1 PRO 381 HA 0.08 0.08 0.27 -0.51 4.44 4.36 3i5yA1 PRO 381 HB2 0.04 -0.05 -0.04 -0.04 2.28 2.19 3i5yA1 PRO 381 HB3 -0.05 0.09 0.07 -0.04 2.02 2.08 3i5yA1 PRO 381 HG2 0.11 -0.02 0.08 -0.04 2.03 2.16 3i5yA1 PRO 381 HG3 0.15 0.14 0.14 -0.04 2.03 2.41 3i5yA1 PRO 381 HD2 0.30 -0.04 0.14 -0.04 3.68 4.04 3i5yA1 PRO 381 HD3 0.32 0.41 0.30 -0.04 3.65 4.64 3i5yA1 THR 382 H 0.22 0.16 -0.12 -0.55 8.28 7.99 3i5yA1 THR 382 HA 0.05 0.25 0.96 -0.75 4.39 4.90 3i5yA1 THR 382 HB 0.05 -0.03 0.09 -0.04 4.32 4.39 3i5yA1 THR 382 HG23 0.05 0.07 -0.33 -0.04 1.22 0.96 3i5yA1 VAL 383 H -0.01 0.25 0.17 -0.55 8.24 8.10 3i5yA1 VAL 383 HA -0.22 0.07 0.41 -0.75 4.13 3.64 3i5yA1 VAL 383 HB -0.10 0.03 0.15 -0.04 2.12 2.17 3i5yA1 VAL 383 HG13 -0.57 0.02 -0.16 -0.04 0.97 0.23 3i5yA1 VAL 383 HG23 -0.07 0.00 0.10 -0.04 0.95 0.93 3i5yA1 LYS 384 H 0.00 0.12 -0.09 -0.55 8.42 7.90 3i5yA1 LYS 384 HA 0.00 0.13 0.38 -0.75 4.32 4.07 3i5yA1 LYS 384 HB2 0.06 -0.01 0.06 -0.04 1.87 1.94 3i5yA1 LYS 384 HB3 0.06 0.06 -0.06 -0.04 1.79 1.81 3i5yA1 LYS 384 HG2 0.01 0.04 -0.01 -0.04 1.46 1.46 3i5yA1 LYS 384 HG3 0.00 -0.07 0.01 -0.04 1.46 1.36 3i5yA1 LYS 384 HD2 0.03 0.07 -0.10 -0.04 1.69 1.65 3i5yA1 LYS 384 HD3 0.02 0.00 -0.17 -0.04 1.68 1.50 3i5yA1 LYS 384 HE2 0.01 0.03 -0.02 -0.04 2.99 2.97 3i5yA1 LYS 384 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 3i5yA1 PHE 385 H 0.23 0.03 -0.31 -0.55 8.34 7.73 3i5yA1 PHE 385 HA 0.16 0.13 0.46 -0.75 4.62 4.61 3i5yA1 PHE 385 HB2 0.11 0.04 0.03 -0.04 3.15 3.29 3i5yA1 PHE 385 HB3 0.12 -0.08 0.02 -0.04 3.06 3.08 3i5yA1 PHE 385 HD2 0.17 -0.03 -0.09 -0.04 7.28 7.30 3i5yA1 PHE 385 HE2 0.22 0.06 -0.04 -0.04 7.38 7.58 3i5yA1 PHE 385 HZ 0.05 0.01 -0.05 -0.04 7.32 7.28 3i5yA1 THR 386 H 0.15 0.56 -0.17 -0.55 8.28 8.27 3i5yA1 THR 386 HA 0.01 0.08 0.37 -0.75 4.39 4.09 3i5yA1 THR 386 HB 0.03 0.05 0.09 -0.04 4.32 4.45 3i5yA1 THR 386 HG23 0.15 -0.00 -0.31 -0.04 1.22 1.02 3i5yA1 SER 387 H 0.01 0.46 -0.22 -0.55 8.46 8.17 3i5yA1 SER 387 HA 0.08 0.04 0.33 -0.75 4.49 4.18 3i5yA1 SER 387 HB2 0.01 0.10 0.12 -0.04 3.95 4.14 3i5yA1 SER 387 HB3 0.07 0.06 0.03 -0.04 3.93 4.05 3i5yA1 PHE 388 H 0.13 0.44 -0.14 -0.55 8.34 8.22 3i5yA1 PHE 388 HA -0.06 0.01 0.47 -0.75 4.62 4.28 3i5yA1 PHE 388 HB2 -0.03 0.01 0.12 -0.04 3.15 3.20 3i5yA1 PHE 388 HB3 -0.24 0.10 0.15 -0.04 3.06 3.04 3i5yA1 PHE 388 HD2 -0.17 -0.02 -0.02 -0.04 7.28 7.03 3i5yA1 PHE 388 HE2 0.02 -0.01 -0.03 -0.04 7.38 7.31 3i5yA1 PHE 388 HZ 0.01 0.07 -0.04 -0.04 7.32 7.32 3i5yA1 LEU 389 H -0.25 0.55 -0.28 -0.55 8.37 7.83 3i5yA1 LEU 389 HA -0.49 -0.01 0.37 -0.75 4.35 3.47 3i5yA1 LEU 389 HB2 -0.57 0.06 0.09 -0.04 1.64 1.18 3i5yA1 LEU 389 HB3 -0.19 0.11 0.08 -0.04 1.64 1.60 3i5yA1 LEU 389 HG -0.14 0.00 -0.11 -0.04 1.64 1.35 3i5yA1 LEU 389 HD13 -0.24 -0.02 0.01 -0.04 0.93 0.64 3i5yA1 LEU 389 HD23 -0.02 -0.01 -0.12 -0.04 0.89 0.69 3i5yA1 CYS 390 H -0.10 0.47 -0.23 -0.55 8.50 8.09 3i5yA1 CYS 390 HA -0.07 0.03 0.39 -0.75 4.58 4.17 3i5yA1 CYS 390 HB2 -0.02 0.15 0.13 -0.04 2.97 3.19 3i5yA1 CYS 390 HB3 -0.02 -0.01 -0.12 -0.04 2.97 2.77 3i5yA1 SER 391 H -0.10 0.42 -0.12 -0.55 8.46 8.12 3i5yA1 SER 391 HA -0.06 0.02 0.49 -0.75 4.49 4.18 3i5yA1 SER 391 HB2 -0.13 0.13 0.21 -0.04 3.95 4.12 3i5yA1 SER 391 HB3 -0.10 -0.00 -0.01 -0.04 3.93 3.77 3i5yA1 ILE 392 H -0.34 0.42 -0.18 -0.55 8.25 7.60 3i5yA1 ILE 392 HA -0.20 0.06 0.35 -0.75 4.18 3.64 3i5yA1 ILE 392 HB -0.31 0.14 0.17 -0.04 1.89 1.85 3i5yA1 ILE 392 HG12 -0.34 0.04 0.00 -0.04 1.49 1.16 3i5yA1 ILE 392 HG13 -0.79 0.07 0.05 -0.04 1.21 0.50 3i5yA1 ILE 392 HG23 -0.15 -0.01 -0.15 -0.04 0.93 0.58 3i5yA1 ILE 392 HD13 -0.50 -0.03 -0.05 -0.04 0.88 0.26 3i5yA1 LEU 393 H -0.11 0.57 -0.07 -0.55 8.37 8.21 3i5yA1 LEU 393 HA 0.08 -0.01 0.24 -0.75 4.35 3.91 3i5yA1 LEU 393 HB2 0.00 0.04 0.07 -0.04 1.64 1.72 3i5yA1 LEU 393 HB3 0.17 -0.01 -0.04 -0.04 1.64 1.71 3i5yA1 LEU 393 HG -0.05 0.16 0.03 -0.04 1.64 1.74 3i5yA1 LEU 393 HD13 -0.02 -0.02 -0.14 -0.04 0.93 0.71 3i5yA1 LEU 393 HD23 0.19 -0.02 -0.10 -0.04 0.89 0.92 3i5yA1 LYS 394 H -0.04 0.81 -0.12 -0.55 8.42 8.52 3i5yA1 LYS 394 HA 0.01 -0.01 0.53 -0.75 4.32 4.10 3i5yA1 LYS 394 HB2 -0.04 0.12 0.22 -0.04 1.87 2.13 3i5yA1 LYS 394 HB3 -0.02 -0.04 0.02 -0.04 1.79 1.72 3i5yA1 LYS 394 HG2 -0.01 -0.03 0.08 -0.04 1.46 1.47 3i5yA1 LYS 394 HG3 -0.01 -0.01 0.04 -0.04 1.46 1.44 3i5yA1 LYS 394 HD2 -0.02 -0.03 -0.20 -0.04 1.69 1.39 3i5yA1 LYS 394 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.59 3i5yA1 LYS 394 HE2 -0.01 -0.01 0.02 -0.04 2.99 2.95 3i5yA1 LYS 394 HE3 -0.01 0.12 -0.00 -0.04 2.99 3.05 3i5yA1 ASN 395 H -0.08 0.59 -0.05 -0.55 8.53 8.44 3i5yA1 ASN 395 HA -0.06 -0.03 0.33 -0.75 4.76 4.25 3i5yA1 ASN 395 HB2 -0.11 0.12 0.19 -0.04 2.88 3.04 3i5yA1 ASN 395 HB3 -0.09 -0.04 0.03 -0.04 2.79 2.66 3i5yA1 ASN 395 HD21 -0.05 -0.09 -0.05 -0.04 7.03 6.80 3i5yA1 ASN 395 HD22 -0.08 -0.07 -0.16 -0.04 7.74 7.40 3i5yA1 GLU 396 H -0.22 0.49 -0.16 -0.55 8.60 8.15 3i5yA1 GLU 396 HA -0.33 0.06 0.54 -0.75 4.29 3.80 3i5yA1 GLU 396 HB2 -0.86 0.03 0.07 -0.04 2.09 1.29 3i5yA1 GLU 396 HB3 -1.61 -0.06 -0.04 -0.04 1.99 0.24 3i5yA1 GLU 396 HG2 -0.26 0.06 -0.03 -0.04 2.34 2.06 3i5yA1 GLU 396 HG3 -0.32 -0.10 -0.07 -0.04 2.34 1.81 3i5yA1 PHE 397 H -0.06 0.55 -0.04 -0.55 8.34 8.23 3i5yA1 PHE 397 HA -0.00 0.15 0.75 -0.75 4.62 4.76 3i5yA1 PHE 397 HB2 -0.01 0.16 0.01 -0.04 3.15 3.28 3i5yA1 PHE 397 HB3 0.02 -0.05 0.01 -0.04 3.06 3.00 3i5yA1 PHE 397 HD2 -0.01 0.02 -0.08 -0.04 7.28 7.18 3i5yA1 PHE 397 HE2 -0.02 -0.05 -0.07 -0.04 7.38 7.21 3i5yA1 PHE 397 HZ -0.01 0.20 0.04 -0.04 7.32 7.51 3i5yA1 LYS 398 H 0.04 0.65 0.21 -0.55 8.42 8.76 3i5yA1 LYS 398 HA 0.06 0.27 0.47 -0.75 4.32 4.36 3i5yA1 LYS 398 HB2 0.01 0.00 0.26 -0.04 1.87 2.10 3i5yA1 LYS 398 HB3 0.01 -0.01 0.08 -0.04 1.79 1.83 3i5yA1 LYS 398 HG2 0.02 0.02 -0.01 -0.04 1.46 1.44 3i5yA1 LYS 398 HG3 0.01 -0.07 0.13 -0.04 1.46 1.50 3i5yA1 LYS 398 HD2 -0.00 -0.05 0.02 -0.04 1.69 1.62 3i5yA1 LYS 398 HD3 0.00 0.03 -0.03 -0.04 1.68 1.64 3i5yA1 LYS 398 HE2 0.00 -0.03 -0.01 -0.04 2.99 2.91 3i5yA1 LYS 398 HE3 0.01 0.03 -0.03 -0.04 2.99 2.95 3i5yA1 LYS 399 H 0.03 0.13 -0.27 -0.55 8.42 7.76 3i5yA1 LYS 399 HA 0.02 0.05 0.41 -0.75 4.32 4.06 3i5yA1 LYS 399 HB2 0.02 -0.02 0.04 -0.04 1.87 1.87 3i5yA1 LYS 399 HB3 0.01 -0.02 0.04 -0.04 1.79 1.78 3i5yA1 LYS 399 HG2 0.02 0.05 -0.05 -0.04 1.46 1.45 3i5yA1 LYS 399 HG3 0.05 0.05 -0.24 -0.04 1.46 1.27 3i5yA1 LYS 399 HD2 0.01 -0.04 -0.05 -0.04 1.69 1.58 3i5yA1 LYS 399 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.59 3i5yA1 LYS 399 HE2 -0.01 -0.07 0.00 -0.04 2.99 2.87 3i5yA1 LYS 399 HE3 -0.03 0.15 0.03 -0.04 2.99 3.11 3i5yA1 ASP 400 H 0.10 0.29 -0.32 -0.55 8.40 7.92 3i5yA1 ASP 400 HA 0.05 0.11 0.77 -0.75 4.63 4.81 3i5yA1 ASP 400 HB2 0.15 0.08 0.07 -0.04 2.71 2.96 3i5yA1 ASP 400 HB3 0.07 -0.05 0.04 -0.04 2.70 2.72 3i5yA1 LEU 401 H 0.07 0.42 -0.02 -0.55 8.37 8.30 3i5yA1 LEU 401 HA 0.04 0.15 0.76 -0.75 4.35 4.54 3i5yA1 LEU 401 HB2 0.07 -0.06 -0.17 -0.04 1.64 1.44 3i5yA1 LEU 401 HB3 0.04 0.02 -0.09 -0.04 1.64 1.57 3i5yA1 LEU 401 HG 0.06 -0.01 -0.36 -0.04 1.64 1.29 3i5yA1 LEU 401 HD13 0.09 -0.06 -0.11 -0.04 0.93 0.81 3i5yA1 LEU 401 HD23 0.05 0.05 0.12 -0.04 0.89 1.08 3i5yA1 PRO 402 HA 0.02 0.08 0.76 -0.51 4.44 4.79 3i5yA1 PRO 402 HB2 0.01 -0.03 -0.03 -0.04 2.28 2.19 3i5yA1 PRO 402 HB3 0.01 0.02 0.10 -0.04 2.02 2.11 3i5yA1 PRO 402 HG2 0.04 0.05 0.17 -0.04 2.03 2.26 3i5yA1 PRO 402 HG3 0.02 0.05 0.09 -0.04 2.03 2.14 3i5yA1 PRO 402 HD2 0.03 0.12 0.17 -0.04 3.68 3.95 3i5yA1 PRO 402 HD3 0.03 0.16 0.11 -0.04 3.65 3.91 3i5yA1 ILE 403 H 0.00 0.19 0.17 -0.55 8.25 8.06 3i5yA1 ILE 403 HA -0.04 0.27 0.94 -0.75 4.18 4.60 3i5yA1 ILE 403 HB -0.00 -0.06 0.12 -0.04 1.89 1.91 3i5yA1 ILE 403 HG12 0.05 0.12 -0.25 -0.04 1.49 1.37 3i5yA1 ILE 403 HG13 0.06 -0.03 -0.38 -0.04 1.21 0.82 3i5yA1 ILE 403 HG23 -0.02 -0.02 -0.15 -0.04 0.93 0.70 3i5yA1 ILE 403 HD13 0.07 0.03 -0.27 -0.04 0.88 0.67 3i5yA1 LEU 404 H -0.14 0.81 0.33 -0.55 8.37 8.82 3i5yA1 LEU 404 HA -0.07 0.12 0.90 -0.75 4.35 4.54 3i5yA1 LEU 404 HB2 -0.31 -0.03 0.10 -0.04 1.64 1.36 3i5yA1 LEU 404 HB3 -0.16 -0.04 -0.03 -0.04 1.64 1.37 3i5yA1 LEU 404 HG -0.09 0.03 -0.25 -0.04 1.64 1.29 3i5yA1 LEU 404 HD13 -0.12 0.02 -0.09 -0.04 0.93 0.70 3i5yA1 LEU 404 HD23 -0.04 0.01 -0.12 -0.04 0.89 0.70 3i5yA1 GLU 405 H -0.05 0.17 0.16 -0.55 8.60 8.34 3i5yA1 GLU 405 HA -0.01 0.26 0.89 -0.75 4.29 4.67 3i5yA1 GLU 405 HB2 -0.00 0.06 0.02 -0.04 2.09 2.13 3i5yA1 GLU 405 HB3 -0.03 -0.04 0.16 -0.04 1.99 2.04 3i5yA1 GLU 405 HG2 0.02 -0.09 -0.24 -0.04 2.34 1.99 3i5yA1 GLU 405 HG3 0.10 0.06 -0.11 -0.04 2.34 2.35 3i5yA1 PHE 406 H 0.08 0.79 0.29 -0.55 8.34 8.95 3i5yA1 PHE 406 HA -0.15 0.10 0.86 -0.75 4.62 4.67 3i5yA1 PHE 406 HB2 -0.14 0.06 -0.26 -0.04 3.15 2.77 3i5yA1 PHE 406 HB3 -0.11 0.06 -0.01 -0.04 3.06 2.96 3i5yA1 PHE 406 HD2 -0.03 0.04 -0.07 -0.04 7.28 7.18 3i5yA1 PHE 406 HE2 0.11 -0.01 -0.13 -0.04 7.38 7.31 3i5yA1 PHE 406 HZ 0.10 -0.04 -0.18 -0.04 7.32 7.15 3i5yA1 HIS 407 H -0.32 0.35 0.22 -0.55 8.41 8.11 3i5yA1 HIS 407 HA -0.30 0.04 0.36 -0.75 4.63 3.98 3i5yA1 HIS 407 HB2 -0.04 -0.16 0.21 -0.04 3.26 3.23 3i5yA1 HIS 407 HB3 -0.05 0.15 0.17 -0.04 3.20 3.43 3i5yA1 HIS 407 HD2 0.02 0.10 -0.26 -0.04 6.97 6.78 3i5yA1 HIS 407 HE1 0.03 0.11 -0.25 -0.04 7.75 7.59 3i5yA1 GLY 408 H 0.08 0.12 0.17 -0.55 8.43 8.25 3i5yA1 GLY 408 HA2 0.03 0.12 0.33 -0.51 4.01 3.98 3i5yA1 GLY 408 HA3 0.05 0.04 0.36 -0.51 4.01 3.95 3i5yA1 LYS 409 H 0.55 -0.05 -0.37 -0.55 8.42 7.99 3i5yA1 LYS 409 HA 0.10 0.24 0.86 -0.75 4.32 4.77 3i5yA1 LYS 409 HB2 0.22 -0.05 -0.02 -0.04 1.87 1.98 3i5yA1 LYS 409 HB3 0.13 0.06 0.10 -0.04 1.79 2.03 3i5yA1 LYS 409 HG2 0.05 -0.13 -0.12 -0.04 1.46 1.22 3i5yA1 LYS 409 HG3 0.01 -0.01 -0.02 -0.04 1.46 1.40 3i5yA1 ILE 410 H -0.02 0.26 -0.10 -0.55 8.25 7.85 3i5yA1 ILE 410 HA -0.01 0.07 0.73 -0.75 4.18 4.21 3i5yA1 ILE 410 HB -0.07 0.07 0.20 -0.04 1.89 2.05 3i5yA1 ILE 410 HG12 -1.03 -0.21 0.01 -0.04 1.49 0.22 3i5yA1 ILE 410 HG13 -0.28 0.30 0.07 -0.04 1.21 1.25 3i5yA1 ILE 410 HG23 -0.01 0.06 -0.06 -0.04 0.93 0.88 3i5yA1 ILE 410 HD13 -0.12 0.01 -0.02 -0.04 0.88 0.70 3i5yA1 THR 411 H 0.02 0.13 0.15 -0.55 8.28 8.03 3i5yA1 THR 411 HA 0.04 0.12 0.35 -0.75 4.39 4.15 3i5yA1 THR 411 HB 0.03 -0.02 0.14 -0.04 4.32 4.43 3i5yA1 THR 411 HG23 0.03 0.04 0.11 -0.04 1.22 1.36 3i5yA1 GLN 412 H 0.04 0.19 0.22 -0.55 8.47 8.37 3i5yA1 GLN 412 HA 0.06 0.08 0.27 -0.75 4.36 4.01 3i5yA1 GLN 412 HB2 0.05 -0.03 0.21 -0.04 2.15 2.34 3i5yA1 GLN 412 HB3 0.04 0.18 0.16 -0.04 2.02 2.35 3i5yA1 GLN 412 HG2 0.04 0.11 -0.03 -0.04 2.40 2.47 3i5yA1 GLN 412 HG3 0.04 0.01 -0.15 -0.04 2.39 2.25 3i5yA1 GLN 412 HE21 0.09 -0.08 -0.09 -0.04 6.97 6.84 3i5yA1 GLN 412 HE22 0.05 0.06 -0.06 -0.04 7.69 7.70 3i5yA1 ASN 413 H 0.03 0.09 -0.08 -0.55 8.53 8.03 3i5yA1 ASN 413 HA 0.02 0.12 0.53 -0.75 4.76 4.68 3i5yA1 ASN 413 HB2 0.02 -0.06 0.08 -0.04 2.88 2.88 3i5yA1 ASN 413 HB3 0.02 0.08 -0.03 -0.04 2.79 2.81 3i5yA1 ASN 413 HD21 0.02 0.03 0.03 -0.04 7.03 7.07 3i5yA1 ASN 413 HD22 0.02 0.01 0.03 -0.04 7.74 7.75 3i5yA1 LYS 414 H 0.03 0.16 -0.26 -0.55 8.42 7.79 3i5yA1 LYS 414 HA 0.01 0.10 0.42 -0.75 4.32 4.09 3i5yA1 LYS 414 HB2 0.01 0.05 0.06 -0.04 1.87 1.95 3i5yA1 LYS 414 HB3 0.00 0.05 0.04 -0.04 1.79 1.84 3i5yA1 LYS 414 HG2 0.01 0.01 -0.04 -0.04 1.46 1.40 3i5yA1 LYS 414 HG3 0.01 -0.08 0.04 -0.04 1.46 1.40 3i5yA1 LYS 414 HD2 0.01 -0.02 0.04 -0.04 1.69 1.68 3i5yA1 LYS 414 HD3 0.00 0.05 0.02 -0.04 1.68 1.72 3i5yA1 LYS 414 HE2 0.01 -0.03 0.02 -0.04 2.99 2.95 3i5yA1 LYS 414 HE3 0.01 0.05 0.02 -0.04 2.99 3.02 3i5yA1 ARG 415 H 0.05 0.48 -0.11 -0.55 8.46 8.34 3i5yA1 ARG 415 HA 0.11 0.04 0.43 -0.75 4.34 4.17 3i5yA1 ARG 415 HB2 0.10 0.08 0.07 -0.04 1.90 2.11 3i5yA1 ARG 415 HB3 0.24 -0.07 -0.07 -0.04 1.80 1.86 3i5yA1 ARG 415 HG2 0.25 -0.10 0.01 -0.04 1.67 1.79 3i5yA1 ARG 415 HG3 0.09 0.13 -0.16 -0.04 1.67 1.68 3i5yA1 ARG 415 HD2 0.06 0.16 -0.02 -0.04 3.22 3.38 3i5yA1 ARG 415 HD3 0.08 -0.07 -0.14 -0.04 3.22 3.05 3i5yA1 THR 416 H 0.04 0.45 -0.31 -0.55 8.28 7.91 3i5yA1 THR 416 HA 0.03 0.02 0.34 -0.75 4.39 4.02 3i5yA1 THR 416 HB 0.02 0.13 0.13 -0.04 4.32 4.56 3i5yA1 THR 416 HG23 0.01 -0.00 -0.11 -0.04 1.22 1.09 3i5yA1 SER 417 H 0.01 0.41 -0.06 -0.55 8.46 8.27 3i5yA1 SER 417 HA 0.00 0.08 0.40 -0.75 4.49 4.22 3i5yA1 SER 417 HB2 0.00 0.01 0.03 -0.04 3.95 3.95 3i5yA1 SER 417 HB3 0.01 0.01 0.11 -0.04 3.93 4.02 3i5yA1 LEU 418 H -0.03 0.62 -0.12 -0.55 8.37 8.30 3i5yA1 LEU 418 HA -0.03 0.07 0.51 -0.75 4.35 4.14 3i5yA1 LEU 418 HB2 -0.10 -0.03 0.04 -0.04 1.64 1.51 3i5yA1 LEU 418 HB3 -0.05 -0.00 0.08 -0.04 1.64 1.63 3i5yA1 LEU 418 HG -0.11 0.13 0.08 -0.04 1.64 1.69 3i5yA1 LEU 418 HD13 -0.37 -0.03 -0.32 -0.04 0.93 0.17 3i5yA1 LEU 418 HD23 -0.00 -0.04 -0.11 -0.04 0.89 0.70 3i5yA1 VAL 419 H -0.07 0.42 -0.28 -0.55 8.24 7.76 3i5yA1 VAL 419 HA 0.08 0.04 0.51 -0.75 4.13 4.00 3i5yA1 VAL 419 HB -0.01 0.13 0.14 -0.04 2.12 2.34 3i5yA1 VAL 419 HG13 0.05 -0.00 -0.18 -0.04 0.97 0.79 3i5yA1 VAL 419 HG23 -0.20 0.00 -0.01 -0.04 0.95 0.70 3i5yA1 LYS 420 H 0.01 0.40 -0.23 -0.55 8.42 8.05 3i5yA1 LYS 420 HA 0.03 0.05 0.42 -0.75 4.32 4.07 3i5yA1 LYS 420 HB2 0.01 0.04 0.13 -0.04 1.87 2.01 3i5yA1 LYS 420 HB3 0.01 0.16 0.18 -0.04 1.79 2.10 3i5yA1 LYS 420 HG2 0.01 0.01 -0.07 -0.04 1.46 1.38 3i5yA1 LYS 420 HG3 0.01 -0.02 0.02 -0.04 1.46 1.44 3i5yA1 LYS 420 HD2 0.01 -0.05 -0.02 -0.04 1.69 1.59 3i5yA1 LYS 420 HD3 0.01 -0.00 -0.01 -0.04 1.68 1.63 3i5yA1 LYS 420 HE2 0.01 0.02 -0.04 -0.04 2.99 2.93 3i5yA1 LYS 420 HE3 0.01 0.01 -0.02 -0.04 2.99 2.94 3i5yA1 ARG 421 H 0.02 0.38 -0.15 -0.55 8.46 8.15 3i5yA1 ARG 421 HA 0.01 0.06 0.50 -0.75 4.34 4.16 3i5yA1 ARG 421 HB2 0.01 -0.02 0.09 -0.04 1.90 1.93 3i5yA1 ARG 421 HB3 0.01 0.02 0.17 -0.04 1.80 1.95 3i5yA1 ARG 421 HG2 0.04 0.05 -0.27 -0.04 1.67 1.45 3i5yA1 ARG 421 HG3 0.01 -0.02 -0.00 -0.04 1.67 1.61 3i5yA1 ARG 421 HD2 0.00 -0.02 -0.01 -0.04 3.22 3.15 3i5yA1 ARG 421 HD3 0.00 -0.05 -0.03 -0.04 3.22 3.10 3i5yA1 PHE 422 H 0.10 0.46 -0.15 -0.55 8.34 8.20 3i5yA1 PHE 422 HA -0.14 0.07 0.26 -0.75 4.62 4.06 3i5yA1 PHE 422 HB2 -0.30 -0.04 0.03 -0.04 3.15 2.81 3i5yA1 PHE 422 HB3 -0.49 -0.01 -0.01 -0.04 3.06 2.50 3i5yA1 PHE 422 HD2 -1.13 -0.03 -0.19 -0.04 7.28 5.90 3i5yA1 PHE 422 HE2 -0.36 -0.01 -0.32 -0.04 7.38 6.65 3i5yA1 PHE 422 HZ -0.27 0.01 -0.22 -0.04 7.32 6.80 3i5yA1 LYS 423 H 0.17 0.32 -0.37 -0.55 8.42 7.99 3i5yA1 LYS 423 HA 0.16 0.02 0.63 -0.75 4.32 4.37 3i5yA1 LYS 423 HB2 0.08 0.09 0.13 -0.04 1.87 2.13 3i5yA1 LYS 423 HB3 0.03 -0.04 -0.01 -0.04 1.79 1.73 3i5yA1 LYS 423 HG2 0.03 0.16 0.18 -0.04 1.46 1.78 3i5yA1 LYS 423 HG3 0.24 -0.02 0.05 -0.04 1.46 1.69 3i5yA1 LYS 423 HD2 0.02 -0.03 -0.08 -0.04 1.69 1.56 3i5yA1 LYS 423 HD3 -0.02 -0.02 0.00 -0.04 1.68 1.60 3i5yA1 LYS 423 HE2 -0.15 -0.09 -0.07 -0.04 2.99 2.64 3i5yA1 LYS 423 HE3 -0.07 -0.10 -0.05 -0.04 2.99 2.73 3i5yA1 LYS 424 H -0.01 0.19 -0.28 -0.55 8.42 7.77 3i5yA1 LYS 424 HA -0.04 0.04 0.44 -0.75 4.32 4.01 3i5yA1 LYS 424 HB2 -0.02 0.04 0.20 -0.04 1.87 2.06 3i5yA1 LYS 424 HB3 -0.02 -0.09 -0.03 -0.04 1.79 1.61 3i5yA1 LYS 424 HG2 -0.01 -0.02 -0.00 -0.04 1.46 1.38 3i5yA1 LYS 424 HG3 0.00 0.17 0.08 -0.04 1.46 1.68 3i5yA1 LYS 424 HD2 -0.01 -0.02 -0.01 -0.04 1.69 1.61 3i5yA1 LYS 424 HD3 -0.00 -0.05 -0.01 -0.04 1.68 1.57 3i5yA1 LYS 424 HE2 0.00 0.00 -0.06 -0.04 2.99 2.89 3i5yA1 LYS 424 HE3 -0.00 0.02 0.00 -0.04 2.99 2.97 3i5yA1 ASP 425 H -0.09 0.59 0.07 -0.55 8.40 8.43 3i5yA1 ASP 425 HA -0.06 -0.10 0.31 -0.75 4.63 4.02 3i5yA1 ASP 425 HB2 -0.13 0.02 0.05 -0.04 2.71 2.60 3i5yA1 ASP 425 HB3 -0.08 0.06 0.09 -0.04 2.70 2.74 3i5yA1 GLU 426 H -0.06 0.02 0.20 -0.55 8.60 8.23 3i5yA1 GLU 426 HA -0.10 0.20 0.56 -0.75 4.29 4.20 3i5yA1 GLU 426 HB2 -0.01 -0.01 0.11 -0.04 2.09 2.14 3i5yA1 GLU 426 HB3 -0.03 -0.01 0.13 -0.04 1.99 2.04 3i5yA1 GLU 426 HG2 -0.00 0.07 -0.15 -0.04 2.34 2.22 3i5yA1 GLU 426 HG3 0.00 -0.02 -0.00 -0.04 2.34 2.28 3i5yA1 SER 427 H -0.07 0.13 -0.05 -0.55 8.46 7.93 3i5yA1 SER 427 HA -0.03 0.12 0.50 -0.75 4.49 4.33 3i5yA1 SER 427 HB2 0.05 0.12 0.15 -0.04 3.95 4.23 3i5yA1 SER 427 HB3 0.04 -0.01 -0.18 -0.04 3.93 3.74 3i5yA1 GLY 428 H 0.01 0.67 0.49 -0.55 8.43 9.05 3i5yA1 GLY 428 HA2 0.05 0.05 0.42 -0.51 4.01 4.02 3i5yA1 GLY 428 HA3 0.12 0.11 0.81 -0.51 4.01 4.55 3i5yA1 ILE 429 H -0.00 0.70 0.30 -0.55 8.25 8.69 3i5yA1 ILE 429 HA -0.10 0.37 1.13 -0.75 4.18 4.83 3i5yA1 ILE 429 HB -0.05 -0.04 0.12 -0.04 1.89 1.88 3i5yA1 ILE 429 HG12 -0.08 0.02 -0.16 -0.04 1.49 1.23 3i5yA1 ILE 429 HG13 -0.02 0.00 -0.30 -0.04 1.21 0.85 3i5yA1 ILE 429 HG23 -0.09 -0.03 -0.26 -0.04 0.93 0.50 3i5yA1 ILE 429 HD13 -0.08 -0.01 -0.14 -0.04 0.88 0.61 3i5yA1 LEU 430 H -0.47 0.65 0.33 -0.55 8.37 8.34 3i5yA1 LEU 430 HA -0.48 0.09 0.92 -0.75 4.35 4.12 3i5yA1 LEU 430 HB2 -2.16 0.07 -0.00 -0.04 1.64 -0.49 3i5yA1 LEU 430 HB3 -0.98 0.02 0.17 -0.04 1.64 0.81 3i5yA1 LEU 430 HG -0.33 -0.05 -0.29 -0.04 1.64 0.92 3i5yA1 LEU 430 HD13 -0.52 0.00 -0.15 -0.04 0.93 0.22 3i5yA1 LEU 430 HD23 -0.80 0.00 -0.13 -0.04 0.89 -0.07 3i5yA1 VAL 431 H -0.17 0.81 0.33 -0.55 8.24 8.66 3i5yA1 VAL 431 HA -0.13 0.30 1.01 -0.75 4.13 4.56 3i5yA1 VAL 431 HB -0.04 -0.05 0.17 -0.04 2.12 2.16 3i5yA1 VAL 431 HG13 -0.03 -0.03 -0.12 -0.04 0.97 0.75 3i5yA1 VAL 431 HG23 -0.08 0.02 -0.19 -0.04 0.95 0.66 3i5yA1 CYS 432 H -0.09 0.66 0.35 -0.55 8.50 8.88 3i5yA1 CYS 432 HA 0.07 0.17 1.01 -0.75 4.58 5.08 3i5yA1 CYS 432 HB2 -0.01 -0.13 0.14 -0.04 2.97 2.93 3i5yA1 CYS 432 HB3 0.20 -0.02 -0.24 -0.04 2.97 2.87 3i5yA1 THR 433 H 0.04 0.17 0.29 -0.55 8.28 8.24 3i5yA1 THR 433 HA 0.19 0.44 0.86 -0.75 4.39 5.12 3i5yA1 THR 433 HB 0.07 -0.06 0.19 -0.04 4.32 4.47 3i5yA1 THR 433 HG23 0.07 0.03 -0.18 -0.04 1.22 1.11 3i5yA1 ASP 434 H 0.09 0.23 0.13 -0.55 8.40 8.31 3i5yA1 ASP 434 HA 0.10 0.18 0.46 -0.75 4.63 4.62 3i5yA1 ASP 434 HB2 0.03 0.04 0.14 -0.04 2.71 2.87 3i5yA1 ASP 434 HB3 0.02 0.02 0.11 -0.04 2.70 2.81 3i5yA1 VAL 435 H 0.00 -0.00 -0.50 -0.55 8.24 7.20 3i5yA1 VAL 435 HA 0.01 0.10 0.56 -0.75 4.13 4.04 3i5yA1 VAL 435 HB -0.11 -0.09 0.06 -0.04 2.12 1.95 3i5yA1 VAL 435 HG13 -0.64 0.01 -0.20 -0.04 0.97 0.11 3i5yA1 VAL 435 HG23 -0.11 0.01 -0.06 -0.04 0.95 0.76 3i5yA1 GLY 436 H 0.12 0.41 -0.25 -0.55 8.43 8.16 3i5yA1 GLY 436 HA2 0.35 0.14 0.61 -0.51 4.01 4.59 3i5yA1 GLY 436 HA3 0.52 0.08 0.18 -0.51 4.01 4.28 3i5yA1 ALA 437 H 0.16 0.28 -0.51 -0.55 8.40 7.78 3i5yA1 ALA 437 HA 0.09 0.20 0.39 -0.75 4.34 4.26 3i5yA1 ALA 437 HB3 -0.09 -0.03 0.04 -0.04 1.41 1.29 3i5yA1 ARG 438 H 0.06 0.14 -0.20 -0.55 8.46 7.92 3i5yA1 ARG 438 HA -0.01 0.17 0.67 -0.75 4.34 4.41 3i5yA1 ARG 438 HB2 -0.05 0.01 0.05 -0.04 1.90 1.87 3i5yA1 ARG 438 HB3 -0.12 -0.01 -0.07 -0.04 1.80 1.55 3i5yA1 ARG 438 HG2 -0.73 0.01 -0.08 -0.04 1.67 0.83 3i5yA1 ARG 438 HG3 -0.18 -0.04 -0.21 -0.04 1.67 1.20 3i5yA1 ARG 438 HD2 -0.09 0.03 -0.03 -0.04 3.22 3.09 3i5yA1 ARG 438 HD3 -0.21 -0.01 -0.00 -0.04 3.22 2.96 3i5yA1 GLY 439 H 0.04 0.23 0.02 -0.55 8.43 8.18 3i5yA1 GLY 439 HA2 -0.01 -0.04 0.28 -0.51 4.01 3.73 3i5yA1 GLY 439 HA3 -0.02 0.01 0.07 -0.51 4.01 3.56 3i5yA1 MET 440 H 0.01 0.26 -0.51 -0.55 8.47 7.69 3i5yA1 MET 440 HA -0.22 -0.04 0.25 -0.75 4.52 3.75 3i5yA1 MET 440 HB2 0.04 0.10 -0.12 -0.04 2.15 2.14 3i5yA1 MET 440 HB3 -0.72 0.07 -0.17 -0.04 2.03 1.17 3i5yA1 MET 440 HG2 0.14 0.02 -0.08 -0.04 2.63 2.67 3i5yA1 MET 440 HG3 0.20 -0.02 -0.11 -0.04 2.56 2.58 3i5yA1 MET 440 HE3 -0.18 0.05 -0.11 -0.04 2.10 1.82 3i5yA1 ASP 441 H -0.40 0.13 0.05 -0.55 8.40 7.63 3i5yA1 ASP 441 HA -0.14 0.18 0.74 -0.75 4.63 4.65 3i5yA1 ASP 441 HB2 -0.15 -0.02 -0.01 -0.04 2.71 2.49 3i5yA1 ASP 441 HB3 -0.18 -0.04 0.16 -0.04 2.70 2.60 3i5yA1 PHE 442 H 0.02 0.32 -0.02 -0.55 8.34 8.11 3i5yA1 PHE 442 HA -0.06 0.20 0.82 -0.75 4.62 4.82 3i5yA1 PHE 442 HB2 0.04 -0.01 0.03 -0.04 3.15 3.17 3i5yA1 PHE 442 HB3 -0.15 0.24 -0.14 -0.04 3.06 2.97 3i5yA1 PHE 442 HD2 0.09 0.12 -0.23 -0.04 7.28 7.22 3i5yA1 PHE 442 HE2 0.03 -0.01 -0.09 -0.04 7.38 7.27 3i5yA1 PHE 442 HZ -0.23 -0.12 -0.13 -0.04 7.32 6.80 3i5yA1 PRO 443 HA -0.04 -0.10 0.30 -0.51 4.44 4.09 3i5yA1 PRO 443 HB2 -0.06 0.15 0.01 -0.04 2.28 2.34 3i5yA1 PRO 443 HB3 -0.03 -0.05 0.06 -0.04 2.02 1.96 3i5yA1 PRO 443 HG2 -0.03 0.10 0.06 -0.04 2.03 2.12 3i5yA1 PRO 443 HG3 -0.02 -0.09 -0.00 -0.04 2.03 1.88 3i5yA1 PRO 443 HD2 -0.01 0.43 0.28 -0.04 3.68 4.34 3i5yA1 PRO 443 HD3 -0.00 0.13 0.10 -0.04 3.65 3.84 3i5yA1 ASN 444 H -0.06 0.04 0.19 -0.55 8.53 8.14 3i5yA1 ASN 444 HA -0.11 -0.02 0.36 -0.75 4.76 4.24 3i5yA1 ASN 444 HB2 -0.15 0.23 -0.20 -0.04 2.88 2.73 3i5yA1 ASN 444 HB3 -0.15 -0.03 0.13 -0.04 2.79 2.71 3i5yA1 ASN 444 HD21 -0.03 -0.03 -0.03 -0.04 7.03 6.90 3i5yA1 ASN 444 HD22 -0.06 0.13 -0.12 -0.04 7.74 7.65 3i5yA1 VAL 445 H -0.09 0.09 -0.06 -0.55 8.24 7.63 3i5yA1 VAL 445 HA -0.25 0.11 0.66 -0.75 4.13 3.89 3i5yA1 VAL 445 HB 0.01 -0.00 0.05 -0.04 2.12 2.13 3i5yA1 VAL 445 HG13 0.02 -0.07 -0.27 -0.04 0.97 0.60 3i5yA1 VAL 445 HG23 0.03 0.08 -0.16 -0.04 0.95 0.85 3i5yA1 HIS 446 H -0.24 0.59 0.35 -0.55 8.41 8.57 3i5yA1 HIS 446 HA 0.02 0.10 0.60 -0.75 4.63 4.60 3i5yA1 HIS 446 HB2 -0.00 0.02 0.22 -0.04 3.26 3.46 3i5yA1 HIS 446 HB3 0.12 -0.08 0.07 -0.04 3.20 3.27 3i5yA1 HIS 446 HD2 0.03 -0.07 -0.01 -0.04 6.97 6.87 3i5yA1 HIS 446 HE1 0.01 0.09 -0.10 -0.04 7.75 7.70 3i5yA1 GLU 447 H 0.01 0.35 0.25 -0.55 8.60 8.66 3i5yA1 GLU 447 HA 0.11 0.36 1.05 -0.75 4.29 5.06 3i5yA1 GLU 447 HB2 0.17 -0.05 -0.04 -0.04 2.09 2.13 3i5yA1 GLU 447 HB3 0.20 -0.02 -0.21 -0.04 1.99 1.92 3i5yA1 GLU 447 HG2 0.21 0.08 -0.14 -0.04 2.34 2.45 3i5yA1 GLU 447 HG3 0.37 -0.02 -0.30 -0.04 2.34 2.35 3i5yA1 VAL 448 H 0.09 0.57 0.38 -0.55 8.24 8.72 3i5yA1 VAL 448 HA 0.08 0.24 1.03 -0.75 4.13 4.73 3i5yA1 VAL 448 HB 0.10 -0.03 0.18 -0.04 2.12 2.33 3i5yA1 VAL 448 HG13 0.32 -0.03 -0.33 -0.04 0.97 0.89 3i5yA1 VAL 448 HG23 0.14 0.03 -0.06 -0.04 0.95 1.02 3i5yA1 LEU 449 H 0.09 0.84 0.42 -0.55 8.37 9.18 3i5yA1 LEU 449 HA 0.13 0.25 1.07 -0.75 4.35 5.04 3i5yA1 LEU 449 HB2 0.15 -0.08 0.05 -0.04 1.64 1.73 3i5yA1 LEU 449 HB3 0.37 -0.02 0.06 -0.04 1.64 2.01 3i5yA1 LEU 449 HG 0.14 0.04 -0.25 -0.04 1.64 1.53 3i5yA1 LEU 449 HD13 0.19 -0.01 -0.13 -0.04 0.93 0.94 3i5yA1 LEU 449 HD23 0.18 0.02 -0.19 -0.04 0.89 0.85 3i5yA1 GLN 450 H 0.20 0.54 0.36 -0.55 8.47 9.02 3i5yA1 GLN 450 HA 0.28 0.15 0.96 -0.75 4.36 4.99 3i5yA1 GLN 450 HB2 0.15 -0.11 0.20 -0.04 2.15 2.36 3i5yA1 GLN 450 HB3 0.16 0.13 -0.09 -0.04 2.02 2.18 3i5yA1 GLN 450 HG2 0.28 0.03 -0.20 -0.04 2.40 2.47 3i5yA1 GLN 450 HG3 0.19 0.02 -0.39 -0.04 2.39 2.16 3i5yA1 GLN 450 HE21 0.24 -0.04 -0.06 -0.04 6.97 7.08 3i5yA1 GLN 450 HE22 0.10 0.04 -0.17 -0.04 7.69 7.62 3i5yA1 ILE 451 H 0.23 0.59 0.17 -0.55 8.25 8.69 3i5yA1 ILE 451 HA 0.18 0.20 1.00 -0.75 4.18 4.81 3i5yA1 ILE 451 HB 0.27 0.02 0.23 -0.04 1.89 2.37 3i5yA1 ILE 451 HG12 -0.03 0.06 -0.04 -0.04 1.49 1.44 3i5yA1 ILE 451 HG13 0.10 0.00 -0.10 -0.04 1.21 1.16 3i5yA1 ILE 451 HG23 0.03 -0.04 -0.13 -0.04 0.93 0.75 3i5yA1 ILE 451 HD13 -0.04 -0.03 -0.08 -0.04 0.88 0.69 3i5yA1 GLY 452 H 0.15 0.56 0.12 -0.55 8.43 8.71 3i5yA1 GLY 452 HA2 0.31 -0.08 0.33 -0.51 4.01 4.06 3i5yA1 GLY 452 HA3 0.30 0.12 0.75 -0.51 4.01 4.68 3i5yA1 VAL 453 H -0.00 0.06 0.11 -0.55 8.24 7.85 3i5yA1 VAL 453 HA -0.55 0.17 0.64 -0.75 4.13 3.64 3i5yA1 VAL 453 HB -0.81 0.10 0.03 -0.04 2.12 1.39 3i5yA1 VAL 453 HG13 -0.47 -0.02 -0.02 -0.04 0.97 0.42 3i5yA1 VAL 453 HG23 -0.15 -0.00 -0.08 -0.04 0.95 0.68 3i5yA1 PRO 454 HA -0.01 0.12 0.53 -0.51 4.44 4.57 3i5yA1 PRO 454 HB2 0.09 -0.13 -0.03 -0.04 2.28 2.17 3i5yA1 PRO 454 HB3 -0.00 0.09 -0.10 -0.04 2.02 1.97 3i5yA1 PRO 454 HG2 0.26 0.09 -0.13 -0.04 2.03 2.21 3i5yA1 PRO 454 HG3 0.26 0.02 -0.09 -0.04 2.03 2.19 3i5yA1 PRO 454 HD2 -0.75 0.08 0.11 -0.04 3.68 3.08 3i5yA1 PRO 454 HD3 -0.17 0.21 0.07 -0.04 3.65 3.72 3i5yA1 SER 455 H 0.02 0.08 0.11 -0.55 8.46 8.12 3i5yA1 SER 455 HA 0.00 0.16 0.41 -0.75 4.49 4.31 3i5yA1 SER 455 HB2 -0.01 0.05 0.12 -0.04 3.95 4.07 3i5yA1 SER 455 HB3 0.00 0.01 0.14 -0.04 3.93 4.05 3i5yA1 GLU 456 H 0.13 0.11 -0.27 -0.55 8.60 8.02 3i5yA1 GLU 456 HA 0.06 0.19 0.22 -0.75 4.29 4.00 3i5yA1 LEU 457 H 0.19 0.24 0.07 -0.55 8.37 8.31 3i5yA1 LEU 457 HA 0.40 0.12 0.25 -0.75 4.35 4.36 3i5yA1 LEU 457 HB2 0.26 0.08 0.07 -0.04 1.64 2.02 3i5yA1 LEU 457 HB3 0.12 -0.03 0.06 -0.04 1.64 1.75 3i5yA1 LEU 457 HG 0.03 -0.03 -0.20 -0.04 1.64 1.40 3i5yA1 LEU 457 HD13 -0.14 0.01 -0.05 -0.04 0.93 0.70 3i5yA1 LEU 457 HD23 0.01 0.04 -0.10 -0.04 0.89 0.80 3i5yA1 ALA 458 H 0.13 0.11 -0.15 -0.55 8.40 7.95 3i5yA1 ALA 458 HA 0.10 0.13 0.33 -0.75 4.34 4.15 3i5yA1 ALA 458 HB3 0.15 0.02 -0.00 -0.04 1.41 1.53 3i5yA1 ASN 459 H 0.17 0.21 -0.52 -0.55 8.53 7.84 3i5yA1 ASN 459 HA 0.25 -0.02 0.22 -0.75 4.76 4.46 3i5yA1 ASN 459 HB2 0.10 0.12 0.05 -0.04 2.88 3.11 3i5yA1 ASN 459 HB3 0.00 0.00 0.00 -0.04 2.79 2.76 3i5yA1 ASN 459 HD21 0.01 0.07 -0.03 -0.04 7.03 7.04 3i5yA1 ASN 459 HD22 0.01 -0.10 0.02 -0.04 7.74 7.63 3i5yA1 TYR 460 H 0.27 0.48 -0.33 -0.55 8.29 8.17 3i5yA1 TYR 460 HA 0.06 0.04 0.49 -0.75 4.56 4.39 3i5yA1 TYR 460 HB2 0.30 -0.00 0.09 -0.04 3.06 3.40 3i5yA1 TYR 460 HB3 0.06 0.08 0.11 -0.04 2.98 3.19 3i5yA1 TYR 460 HD2 0.09 -0.02 -0.09 -0.04 7.15 7.09 3i5yA1 TYR 460 HE2 0.04 0.01 -0.12 -0.04 6.85 6.74 3i5yA1 ILE 461 H 0.09 0.31 -0.13 -0.55 8.25 7.97 3i5yA1 ILE 461 HA -0.18 0.05 0.25 -0.75 4.18 3.54 3i5yA1 ILE 461 HB -0.22 0.17 0.11 -0.04 1.89 1.90 3i5yA1 ILE 461 HG12 0.02 -0.05 -0.02 -0.04 1.49 1.40 3i5yA1 ILE 461 HG13 0.14 -0.05 0.03 -0.04 1.21 1.29 3i5yA1 ILE 461 HG23 -0.18 -0.01 -0.25 -0.04 0.93 0.45 3i5yA1 ILE 461 HD13 0.01 0.01 0.02 -0.04 0.88 0.89 3i5yA1 HIS 462 H -0.02 0.13 -0.25 -0.55 8.41 7.72 3i5yA1 HIS 462 HA -0.01 0.04 0.43 -0.75 4.63 4.33 3i5yA1 HIS 462 HB2 -0.03 -0.06 -0.02 -0.04 3.26 3.12 3i5yA1 HIS 462 HB3 0.00 0.15 -0.07 -0.04 3.20 3.25 3i5yA1 HIS 462 HD2 0.03 -0.04 -0.42 -0.04 6.97 6.50 3i5yA1 HIS 462 HE1 0.04 -0.31 0.05 -0.04 7.75 7.48 3i5yA1 ARG 463 H -0.07 0.51 -0.03 -0.55 8.46 8.32 3i5yA1 ARG 463 HA -0.19 0.05 0.48 -0.75 4.34 3.93 3i5yA1 ARG 463 HB2 -0.24 0.17 0.19 -0.04 1.90 1.98 3i5yA1 ARG 463 HB3 -0.30 -0.01 -0.08 -0.04 1.80 1.37 3i5yA1 ARG 463 HG2 -1.72 -0.06 -0.02 -0.04 1.67 -0.18 3i5yA1 ARG 463 HG3 -0.40 0.04 0.06 -0.04 1.67 1.34 3i5yA1 ARG 463 HD2 -0.15 -0.02 -0.14 -0.04 3.22 2.87 3i5yA1 ARG 463 HD3 -0.32 0.05 -0.12 -0.04 3.22 2.80 3i5yA1 ILE 464 H -0.21 0.46 -0.16 -0.55 8.25 7.79 3i5yA1 ILE 464 HA 0.03 0.03 0.31 -0.75 4.18 3.80 3i5yA1 ILE 464 HB -0.08 0.00 -0.02 -0.04 1.89 1.76 3i5yA1 ILE 464 HG12 -0.38 0.10 0.02 -0.04 1.49 1.19 3i5yA1 ILE 464 HG13 -0.11 0.09 -0.20 -0.04 1.21 0.94 3i5yA1 ILE 464 HG23 -0.36 0.02 -0.06 -0.04 0.93 0.48 3i5yA1 ILE 464 HD13 -0.18 -0.03 -0.11 -0.04 0.88 0.52 3i5yA1 GLY 465 H -0.02 0.16 -0.59 -0.55 8.43 7.43 3i5yA1 GLY 465 HA2 -0.01 0.12 0.49 -0.51 4.01 4.10 3i5yA1 GLY 465 HA3 0.01 -0.13 0.34 -0.51 4.01 3.72 3i5yA1 ARG 466 H 0.13 0.43 -0.40 -0.55 8.46 8.06 3i5yA1 ARG 466 HA 0.11 0.05 0.57 -0.75 4.34 4.32 3i5yA1 ARG 466 HB2 0.23 -0.00 -0.00 -0.04 1.90 2.09 3i5yA1 ARG 466 HB3 0.28 -0.07 0.03 -0.04 1.80 1.99 3i5yA1 ARG 466 HG2 0.35 0.21 0.16 -0.04 1.67 2.36 3i5yA1 ARG 466 HG3 0.47 -0.09 0.01 -0.04 1.67 2.01 3i5yA1 ARG 466 HD2 0.26 -0.04 -0.22 -0.04 3.22 3.19 3i5yA1 ARG 466 HD3 0.17 0.15 -0.08 -0.04 3.22 3.42 3i5yA1 THR 467 H 0.06 0.31 -0.33 -0.55 8.28 7.77 3i5yA1 THR 467 HA 0.02 0.15 0.76 -0.75 4.39 4.56 3i5yA1 THR 467 HB 0.05 -0.11 -0.29 -0.04 4.32 3.93 3i5yA1 THR 467 HG23 0.05 0.05 -0.16 -0.04 1.22 1.12 3i5yA1 ALA 468 H -0.01 0.33 0.02 -0.55 8.40 8.20 3i5yA1 ALA 468 HA -0.02 0.21 -0.16 -0.75 4.34 3.61 3i5yA1 ALA 468 HB3 -0.01 0.01 -0.13 -0.04 1.41 1.24 3i5yA1 ARG 469 H -0.06 0.10 -0.11 -0.55 8.46 7.83 3i5yA1 ARG 469 HA -0.16 0.13 0.65 -0.75 4.34 4.22 3i5yA1 ARG 469 HB2 -0.05 -0.01 -0.04 -0.04 1.90 1.76 3i5yA1 ARG 469 HB3 -0.08 -0.08 -0.02 -0.04 1.80 1.58 3i5yA1 ARG 469 HG2 -0.08 -0.04 -0.26 -0.04 1.67 1.25 3i5yA1 ARG 469 HG3 -0.05 0.01 -0.69 -0.04 1.67 0.90 3i5yA1 ARG 469 HD2 0.01 0.17 -0.07 -0.04 3.22 3.29 3i5yA1 ARG 469 HD3 -0.02 0.02 -0.10 -0.04 3.22 3.08 3i5yA1 SER 470 H -0.10 0.40 0.27 -0.55 8.46 8.48 3i5yA1 SER 470 HA -0.06 -0.01 0.43 -0.75 4.49 4.10 3i5yA1 SER 470 HB2 -0.06 0.02 0.20 -0.04 3.95 4.08 3i5yA1 SER 470 HB3 -0.10 -0.04 0.13 -0.04 3.93 3.87 3i5yA1 GLY 471 H -0.01 0.10 -0.11 -0.55 8.43 7.86 3i5yA1 GLY 471 HA2 0.03 -0.04 0.28 -0.51 4.01 3.78 3i5yA1 GLY 471 HA3 0.01 0.07 0.29 -0.51 4.01 3.88 3i5yA1 LYS 472 H -0.02 0.33 -0.79 -0.55 8.42 7.39 3i5yA1 LYS 472 HA 0.02 0.06 0.41 -0.75 4.32 4.06 3i5yA1 LYS 472 HB2 -0.02 -0.07 0.06 -0.04 1.87 1.80 3i5yA1 LYS 472 HB3 0.01 -0.01 0.16 -0.04 1.79 1.90 3i5yA1 LYS 472 HG2 -0.01 0.26 0.10 -0.04 1.46 1.77 3i5yA1 LYS 472 HG3 -0.01 -0.09 0.10 -0.04 1.46 1.42 3i5yA1 LYS 472 HD2 0.01 -0.03 0.06 -0.04 1.69 1.69 3i5yA1 LYS 472 HD3 0.01 -0.02 -0.05 -0.04 1.68 1.58 3i5yA1 LYS 472 HE2 0.00 -0.01 0.05 -0.04 2.99 2.99 3i5yA1 LYS 472 HE3 0.01 -0.04 0.02 -0.04 2.99 2.95 3i5yA1 GLU 473 H 0.04 0.08 0.18 -0.55 8.60 8.35 3i5yA1 GLU 473 HA 0.05 0.15 0.59 -0.75 4.29 4.33 3i5yA1 GLU 473 HB2 0.06 -0.00 0.16 -0.04 2.09 2.26 3i5yA1 GLU 473 HB3 0.05 -0.01 0.13 -0.04 1.99 2.12 3i5yA1 GLU 473 HG2 0.08 -0.04 0.06 -0.04 2.34 2.39 3i5yA1 GLU 473 HG3 0.09 0.04 -0.20 -0.04 2.34 2.23 3i5yA1 GLY 474 H 0.06 0.27 0.22 -0.55 8.43 8.44 3i5yA1 GLY 474 HA2 0.08 0.25 0.54 -0.51 4.01 4.38 3i5yA1 GLY 474 HA3 0.05 -0.00 0.35 -0.51 4.01 3.90 3i5yA1 SER 475 H 0.10 0.64 0.43 -0.55 8.46 9.08 3i5yA1 SER 475 HA 0.07 0.11 1.02 -0.75 4.49 4.94 3i5yA1 SER 475 HB2 0.13 -0.04 0.06 -0.04 3.95 4.06 3i5yA1 SER 475 HB3 0.09 0.06 0.13 -0.04 3.93 4.17 3i5yA1 SER 476 H 0.05 0.65 0.26 -0.55 8.46 8.87 3i5yA1 SER 476 HA 0.06 0.23 0.76 -0.75 4.49 4.79 3i5yA1 SER 476 HB2 0.03 0.02 0.06 -0.04 3.95 4.02 3i5yA1 SER 476 HB3 0.03 0.05 -0.09 -0.04 3.93 3.88 3i5yA1 VAL 477 H -0.02 0.55 0.32 -0.55 8.24 8.54 3i5yA1 VAL 477 HA -0.16 0.38 0.98 -0.75 4.13 4.58 3i5yA1 VAL 477 HB -0.45 -0.07 0.08 -0.04 2.12 1.64 3i5yA1 VAL 477 HG13 -0.94 -0.02 -0.26 -0.04 0.97 -0.30 3i5yA1 VAL 477 HG23 -0.17 0.01 -0.24 -0.04 0.95 0.51 3i5yA1 LEU 478 H -0.13 0.66 0.41 -0.55 8.37 8.76 3i5yA1 LEU 478 HA 0.00 0.12 0.95 -0.75 4.35 4.67 3i5yA1 LEU 478 HB2 0.20 0.02 0.04 -0.04 1.64 1.86 3i5yA1 LEU 478 HB3 0.04 -0.01 0.23 -0.04 1.64 1.85 3i5yA1 LEU 478 HG 0.06 -0.09 -0.30 -0.04 1.64 1.28 3i5yA1 LEU 478 HD13 0.08 0.01 -0.07 -0.04 0.93 0.92 3i5yA1 LEU 478 HD23 0.19 -0.01 -0.09 -0.04 0.89 0.93 3i5yA1 PHE 479 H 0.12 0.88 0.38 -0.55 8.34 9.17 3i5yA1 PHE 479 HA -0.02 0.22 1.01 -0.75 4.62 5.08 3i5yA1 PHE 479 HB2 -0.04 0.04 0.35 -0.04 3.15 3.46 3i5yA1 PHE 479 HB3 -0.09 -0.09 0.13 -0.04 3.06 2.97 3i5yA1 PHE 479 HD2 -0.08 0.03 -0.07 -0.04 7.28 7.12 3i5yA1 PHE 479 HE2 -0.15 0.01 -0.14 -0.04 7.38 7.07 3i5yA1 PHE 479 HZ -0.50 0.03 -0.14 -0.04 7.32 6.67 3i5yA1 ILE 480 H 0.09 0.57 0.28 -0.55 8.25 8.65 3i5yA1 ILE 480 HA 0.09 0.09 0.89 -0.75 4.18 4.49 3i5yA1 ILE 480 HB 0.09 -0.06 0.01 -0.04 1.89 1.90 3i5yA1 ILE 480 HG12 0.06 0.07 -0.17 -0.04 1.49 1.41 3i5yA1 ILE 480 HG13 0.07 -0.04 -0.34 -0.04 1.21 0.87 3i5yA1 ILE 480 HG23 0.06 -0.01 -0.34 -0.04 0.93 0.59 3i5yA1 ILE 480 HD13 0.10 0.00 -0.24 -0.04 0.88 0.71 3i5yA1 CYS 481 H 0.09 0.07 0.09 -0.55 8.50 8.21 3i5yA1 CYS 481 HA 0.07 0.33 0.81 -0.75 4.58 5.02 3i5yA1 CYS 481 HB2 0.05 0.06 -0.41 -0.04 2.97 2.63 3i5yA1 CYS 481 HB3 0.07 0.10 -0.67 -0.04 2.97 2.43 3i5yA1 LYS 482 H 0.04 0.52 0.16 -0.55 8.42 8.59 3i5yA1 LYS 482 HA 0.04 0.08 0.38 -0.75 4.32 4.07 3i5yA1 LYS 482 HB2 0.02 0.02 0.19 -0.04 1.87 2.05 3i5yA1 LYS 482 HB3 0.02 0.01 0.01 -0.04 1.79 1.79 3i5yA1 ASP 483 H -0.02 0.09 -0.29 -0.55 8.40 7.63 3i5yA1 ASP 483 HA -0.03 0.13 0.36 -0.75 4.63 4.34 3i5yA1 ASP 483 HB2 -0.12 -0.04 -0.02 -0.04 2.71 2.49 3i5yA1 ASP 483 HB3 -0.16 -0.04 0.02 -0.04 2.70 2.49 3i5yA1 GLU 484 H -0.01 0.48 -0.42 -0.55 8.60 8.10 3i5yA1 GLU 484 HA -0.23 0.17 0.84 -0.75 4.29 4.31 3i5yA1 GLU 484 HB2 0.09 0.09 0.04 -0.04 2.09 2.27 3i5yA1 GLU 484 HB3 0.16 -0.01 0.12 -0.04 1.99 2.21 3i5yA1 GLU 484 HG2 -0.04 0.07 -0.03 -0.04 2.34 2.29 3i5yA1 GLU 484 HG3 -0.04 -0.10 -0.07 -0.04 2.34 2.09 3i5yA1 LEU 485 H 0.07 0.49 -0.15 -0.55 8.37 8.24 3i5yA1 LEU 485 HA 0.13 -0.02 0.33 -0.75 4.35 4.03 3i5yA1 LEU 485 HB2 0.07 0.18 0.16 -0.04 1.64 2.00 3i5yA1 LEU 485 HB3 0.06 -0.04 -0.00 -0.04 1.64 1.62 3i5yA1 LEU 485 HG 0.06 0.02 0.06 -0.04 1.64 1.74 3i5yA1 LEU 485 HD13 0.04 0.00 0.01 -0.04 0.93 0.94 3i5yA1 LEU 485 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.84 3i5yA1 PRO 486 HA 0.10 0.01 0.48 -0.51 4.44 4.52 3i5yA1 PRO 486 HB2 0.39 0.17 -0.09 -0.04 2.28 2.71 3i5yA1 PRO 486 HB3 0.17 0.15 0.13 -0.04 2.02 2.43 3i5yA1 PRO 486 HG2 0.36 -0.03 0.09 -0.04 2.03 2.41 3i5yA1 PRO 486 HG3 0.16 0.00 0.07 -0.04 2.03 2.23 3i5yA1 PRO 486 HD2 0.26 0.06 -0.40 -0.04 3.68 3.56 3i5yA1 PRO 486 HD3 0.13 0.09 -0.01 -0.04 3.65 3.81 3i5yA1 PHE 487 H 0.46 0.34 -0.31 -0.55 8.34 8.28 3i5yA1 PHE 487 HA -0.16 0.06 0.51 -0.75 4.62 4.28 3i5yA1 PHE 487 HB2 -0.23 -0.03 0.10 -0.04 3.15 2.95 3i5yA1 PHE 487 HB3 0.03 0.25 0.15 -0.04 3.06 3.45 3i5yA1 PHE 487 HD2 -0.91 0.01 -0.11 -0.04 7.28 6.23 3i5yA1 PHE 487 HE2 -0.31 -0.01 -0.09 -0.04 7.38 6.92 3i5yA1 PHE 487 HZ -0.11 -0.03 -0.02 -0.04 7.32 7.12 3i5yA1 VAL 488 H 0.15 0.24 -0.10 -0.55 8.24 7.98 3i5yA1 VAL 488 HA -0.32 0.02 0.41 -0.75 4.13 3.48 3i5yA1 VAL 488 HB 0.02 0.14 0.15 -0.04 2.12 2.39 3i5yA1 VAL 488 HG13 -0.06 0.00 -0.09 -0.04 0.97 0.77 3i5yA1 VAL 488 HG23 0.11 -0.01 -0.02 -0.04 0.95 0.99 3i5yA1 ARG 489 H -0.02 0.46 -0.12 -0.55 8.46 8.23 3i5yA1 ARG 489 HA -0.06 0.03 0.47 -0.75 4.34 4.03 3i5yA1 ARG 489 HB2 0.00 0.12 0.17 -0.04 1.90 2.16 3i5yA1 ARG 489 HB3 -0.02 -0.03 -0.00 -0.04 1.80 1.71 3i5yA1 ARG 489 HG2 -0.01 -0.01 0.03 -0.04 1.67 1.64 3i5yA1 ARG 489 HG3 0.01 0.03 -0.00 -0.04 1.67 1.67 3i5yA1 ARG 489 HD2 0.01 0.00 -0.00 -0.04 3.22 3.19 3i5yA1 ARG 489 HD3 0.01 -0.01 -0.02 -0.04 3.22 3.16 3i5yA1 GLU 490 H -0.11 0.63 -0.11 -0.55 8.60 8.46 3i5yA1 GLU 490 HA -0.07 -0.03 0.47 -0.75 4.29 3.91 3i5yA1 GLU 490 HB2 -0.04 0.13 0.11 -0.04 2.09 2.25 3i5yA1 GLU 490 HB3 -0.16 0.07 0.17 -0.04 1.99 2.03 3i5yA1 GLU 490 HG2 0.04 0.12 0.07 -0.04 2.34 2.53 3i5yA1 GLU 490 HG3 -0.05 -0.12 -0.05 -0.04 2.34 2.08 3i5yA1 LEU 491 H -0.39 0.53 -0.22 -0.55 8.37 7.74 3i5yA1 LEU 491 HA -0.24 -0.06 0.51 -0.75 4.35 3.81 3i5yA1 LEU 491 HB2 -0.43 0.27 0.20 -0.04 1.64 1.64 3i5yA1 LEU 491 HB3 -0.29 0.05 -0.00 -0.04 1.64 1.36 3i5yA1 LEU 491 HG -0.93 0.01 0.03 -0.04 1.64 0.72 3i5yA1 LEU 491 HD13 -0.98 -0.02 -0.05 -0.04 0.93 -0.16 3i5yA1 LEU 491 HD23 -0.21 -0.03 0.01 -0.04 0.89 0.62 3i5yA1 GLU 492 H -0.14 0.38 -0.21 -0.55 8.60 8.09 3i5yA1 GLU 492 HA -0.06 -0.02 0.45 -0.75 4.29 3.91 3i5yA1 GLU 492 HB2 -0.06 0.14 0.19 -0.04 2.09 2.32 3i5yA1 GLU 492 HB3 -0.04 -0.04 -0.04 -0.04 1.99 1.82 3i5yA1 GLU 492 HG2 -0.05 -0.05 -0.08 -0.04 2.34 2.12 3i5yA1 GLU 492 HG3 -0.09 0.13 0.11 -0.04 2.34 2.45 3i5yA1 ASP 493 H -0.07 0.49 0.06 -0.55 8.40 8.34 3i5yA1 ASP 493 HA -0.03 0.05 0.34 -0.75 4.63 4.24 3i5yA1 ASP 493 HB2 -0.04 -0.01 0.18 -0.04 2.71 2.81 3i5yA1 ASP 493 HB3 -0.02 -0.02 0.02 -0.04 2.70 2.64 3i5yA1 ALA 494 H -0.06 0.73 0.05 -0.55 8.40 8.58 3i5yA1 ALA 494 HA -0.02 0.12 0.52 -0.75 4.34 4.21 3i5yA1 ALA 494 HB3 -0.02 -0.01 0.07 -0.04 1.41 1.40 3i5yA1 LYS 495 H -0.05 0.21 -0.16 -0.55 8.42 7.86 3i5yA1 LYS 495 HA -0.01 0.20 0.93 -0.75 4.32 4.69 3i5yA1 LYS 495 HB2 -0.05 0.10 0.12 -0.04 1.87 2.00 3i5yA1 LYS 495 HB3 -0.00 -0.10 0.11 -0.04 1.79 1.77 3i5yA1 LYS 495 HG2 -0.01 -0.01 -0.39 -0.04 1.46 1.01 3i5yA1 LYS 495 HG3 0.00 -0.08 -0.11 -0.04 1.46 1.24 3i5yA1 LYS 495 HD2 0.02 -0.08 0.00 -0.04 1.69 1.59 3i5yA1 LYS 495 HD3 0.01 0.14 0.06 -0.04 1.68 1.85 3i5yA1 LYS 495 HE2 0.03 0.10 -0.09 -0.04 2.99 2.98 3i5yA1 LYS 495 HE3 0.04 -0.15 -0.11 -0.04 2.99 2.74 3i5yA1 ASN 496 H -0.04 0.26 -0.09 -0.55 8.53 8.12 3i5yA1 ASN 496 HA -0.03 0.14 0.37 -0.75 4.76 4.49 3i5yA1 ASN 496 HB2 -0.01 -0.02 -0.24 -0.04 2.88 2.56 3i5yA1 ASN 496 HB3 -0.01 0.12 0.17 -0.04 2.79 3.03 3i5yA1 ASN 496 HD21 -0.01 -0.13 0.01 -0.04 7.03 6.86 3i5yA1 ASN 496 HD22 -0.01 0.34 0.05 -0.04 7.74 8.08 3i5yA1 ILE 497 H -0.05 0.56 -0.13 -0.55 8.25 8.08 3i5yA1 ILE 497 HA -0.00 0.15 0.77 -0.75 4.18 4.35 3i5yA1 ILE 497 HB -0.08 -0.05 -0.02 -0.04 1.89 1.70 3i5yA1 ILE 497 HG12 0.03 0.06 -0.17 -0.04 1.49 1.37 3i5yA1 ILE 497 HG13 -0.00 0.08 -0.23 -0.04 1.21 1.02 3i5yA1 ILE 497 HG23 0.09 -0.02 -0.22 -0.04 0.93 0.74 3i5yA1 ILE 497 HD13 0.13 -0.04 -0.04 -0.04 0.88 0.89 3i5yA1 VAL 498 H -0.01 0.27 0.02 -0.55 8.24 7.97 3i5yA1 VAL 498 HA -0.04 0.13 0.74 -0.75 4.13 4.21 3i5yA1 VAL 498 HB -0.01 0.02 0.11 -0.04 2.12 2.20 3i5yA1 VAL 498 HG13 -0.01 -0.00 -0.20 -0.04 0.97 0.71 3i5yA1 VAL 498 HG23 -0.02 0.01 -0.23 -0.04 0.95 0.66 3i5yA1 ILE 499 H -0.04 0.18 -0.03 -0.55 8.25 7.81 3i5yA1 ILE 499 HA 0.02 0.04 0.39 -0.75 4.18 3.88 3i5yA1 ILE 499 HB -0.02 -0.00 0.01 -0.04 1.89 1.84 3i5yA1 ILE 499 HG12 0.07 0.01 -0.16 -0.04 1.49 1.38 3i5yA1 ILE 499 HG13 -0.07 0.00 -0.13 -0.04 1.21 0.98 3i5yA1 ILE 499 HG23 0.03 0.01 -0.38 -0.04 0.93 0.54 3i5yA1 ILE 499 HD13 -0.11 -0.01 -0.11 -0.04 0.88 0.61 3i5yA1 ALA 500 H 0.02 0.16 0.20 -0.55 8.40 8.23 3i5yA1 ALA 500 HA 0.01 0.06 0.40 -0.75 4.34 4.06 3i5yA1 ALA 500 HB3 0.01 0.00 0.15 -0.04 1.41 1.54 3i5yA1 LYS 501 H 0.02 0.22 0.10 -0.55 8.42 8.21 3i5yA1 LYS 501 HA 0.02 0.05 0.45 -0.75 4.32 4.08 3i5yA1 LYS 501 HB2 0.02 0.14 0.36 -0.04 1.87 2.35 3i5yA1 LYS 501 HB3 0.02 -0.01 0.03 -0.04 1.79 1.79 3i5yA1 LYS 501 HG2 0.02 -0.00 0.03 -0.04 1.46 1.47 3i5yA1 LYS 501 HG3 0.02 -0.03 0.10 -0.04 1.46 1.50 3i5yA1 LYS 501 HD2 0.03 0.09 -0.03 -0.04 1.69 1.73 3i5yA1 LYS 501 HD3 0.03 -0.03 -0.02 -0.04 1.68 1.62 3i5yA1 LYS 501 HE2 0.02 -0.02 -0.00 -0.04 2.99 2.95 3i5yA1 LYS 501 HE3 0.03 0.00 0.01 -0.04 2.99 2.99 3i5yA1 GLN 502 H 0.02 0.26 0.34 -0.55 8.47 8.54 3i5yA1 GLN 502 HA 0.01 0.32 0.98 -0.75 4.36 4.92 3i5yA1 GLN 502 HB2 0.02 -0.02 0.08 -0.04 2.15 2.18 3i5yA1 GLN 502 HB3 0.02 -0.07 0.08 -0.04 2.02 2.01 3i5yA1 GLN 502 HG2 0.01 0.03 -0.39 -0.04 2.40 2.00 3i5yA1 GLN 502 HG3 0.01 0.24 -0.22 -0.04 2.39 2.38 3i5yA1 GLN 502 HE21 -0.01 -0.10 -0.05 -0.04 6.97 6.77 3i5yA1 GLN 502 HE22 -0.01 0.18 -0.07 -0.04 7.69 7.75 3i5yA1 GLU 503 H 0.03 0.44 0.38 -0.55 8.60 8.91 3i5yA1 GLU 503 HA 0.04 0.06 0.54 -0.75 4.29 4.18 3i5yA1 GLU 503 HB2 0.07 0.02 0.13 -0.04 2.09 2.27 3i5yA1 GLU 503 HB3 0.05 0.13 0.00 -0.04 1.99 2.13 3i5yA1 GLU 503 HG2 0.04 0.01 -0.16 -0.04 2.34 2.18 3i5yA1 GLU 503 HG3 0.09 -0.02 -0.16 -0.04 2.34 2.21 3i5yA1 LYS 504 H 0.06 0.12 0.18 -0.55 8.42 8.23 3i5yA1 LYS 504 HA 0.10 0.27 0.76 -0.75 4.32 4.69 3i5yA1 LYS 504 HB2 0.05 -0.02 0.07 -0.04 1.87 1.93 3i5yA1 LYS 504 HB3 0.06 -0.00 0.09 -0.04 1.79 1.89 3i5yA1 TYR 505 H 0.16 0.40 0.22 -0.55 8.29 8.52 3i5yA1 TYR 505 HA 0.06 0.14 0.59 -0.75 4.56 4.60 3i5yA1 TYR 505 HB2 0.11 0.12 -0.22 -0.04 3.06 3.03 3i5yA1 TYR 505 HB3 0.10 -0.05 -0.20 -0.04 2.98 2.78 3i5yA1 TYR 505 HD2 0.10 -0.00 -0.15 -0.04 7.15 7.05 3i5yA1 TYR 505 HE2 0.12 0.02 -0.09 -0.04 6.85 6.86 3i5yA1 GLU 506 H -0.56 0.28 0.07 -0.55 8.60 7.84 3i5yA1 GLU 506 HA -0.27 0.11 0.78 -0.75 4.29 4.16 3i5yA1 GLU 506 HB2 -0.12 -0.02 -0.13 -0.04 2.09 1.79 3i5yA1 GLU 506 HB3 -0.17 0.01 0.04 -0.04 1.99 1.82 3i5yA1 GLU 506 HG2 -0.07 -0.00 -0.02 -0.04 2.34 2.20 3i5yA1 GLU 506 HG3 -0.11 0.12 -0.04 -0.04 2.34 2.27 3i5yA1 PRO 507 HA -0.20 0.03 0.48 -0.51 4.44 4.24 3i5yA1 PRO 507 HB2 -0.23 0.13 -0.05 -0.04 2.28 2.09 3i5yA1 PRO 507 HB3 0.18 -0.02 0.06 -0.04 2.02 2.20 3i5yA1 PRO 507 HG2 -0.06 0.07 0.07 -0.04 2.03 2.07 3i5yA1 PRO 507 HG3 0.16 -0.02 0.06 -0.04 2.03 2.19 3i5yA1 PRO 507 HD2 -0.08 0.10 0.22 -0.04 3.68 3.88 3i5yA1 PRO 507 HD3 0.03 0.07 0.12 -0.04 3.65 3.83 3i5yA1 SER 508 H -0.08 0.10 0.20 -0.55 8.46 8.13 3i5yA1 SER 508 HA -0.08 0.19 0.67 -0.75 4.49 4.51 3i5yA1 SER 508 HB2 -0.05 -0.01 0.17 -0.04 3.95 4.02 3i5yA1 SER 508 HB3 -0.05 0.15 0.17 -0.04 3.93 4.16 3i5yA1 GLU 509 H -0.07 0.22 0.17 -0.55 8.60 8.37 3i5yA1 GLU 509 HA -0.12 0.14 0.43 -0.75 4.29 3.99 3i5yA1 GLU 509 HB2 -0.05 -0.01 0.12 -0.04 2.09 2.11 3i5yA1 GLU 509 HB3 -0.06 0.06 0.05 -0.04 1.99 2.01 3i5yA1 GLU 509 HG2 -0.06 -0.02 0.08 -0.04 2.34 2.31 3i5yA1 GLU 509 HG3 -0.04 0.05 0.04 -0.04 2.34 2.36 3i5yA1 GLU 510 H -0.06 0.05 -0.19 -0.55 8.60 7.85 3i5yA1 GLU 510 HA -0.05 0.15 0.37 -0.75 4.29 4.01 3i5yA1 GLU 510 HB2 -0.03 -0.05 0.08 -0.04 2.09 2.04 3i5yA1 GLU 510 HB3 -0.03 0.10 -0.01 -0.04 1.99 2.00 3i5yA1 GLU 510 HG2 -0.02 0.08 0.02 -0.04 2.34 2.37 3i5yA1 GLU 510 HG3 -0.03 0.05 0.00 -0.04 2.34 2.32 3i5yA1 ILE 511 H -0.07 0.05 -0.18 -0.55 8.25 7.50 3i5yA1 ILE 511 HA -0.04 0.13 0.41 -0.75 4.18 3.93 3i5yA1 ILE 511 HB 0.01 -0.01 0.08 -0.04 1.89 1.93 3i5yA1 ILE 511 HG12 0.14 0.04 -0.02 -0.04 1.49 1.61 3i5yA1 ILE 511 HG13 0.11 -0.02 -0.11 -0.04 1.21 1.16 3i5yA1 ILE 511 HG23 -0.13 0.05 -0.01 -0.04 0.93 0.80 3i5yA1 ILE 511 HD13 0.04 0.02 0.00 -0.04 0.88 0.90 3i5yA1 LYS 512 H -0.28 0.32 -0.29 -0.55 8.42 7.62 3i5yA1 LYS 512 HA -0.77 0.00 0.40 -0.75 4.32 3.21 3i5yA1 LYS 512 HB2 -0.23 0.11 0.11 -0.04 1.87 1.82 3i5yA1 LYS 512 HB3 -0.27 0.05 -0.00 -0.04 1.79 1.52 3i5yA1 LYS 512 HG2 -1.21 -0.07 -0.02 -0.04 1.46 0.12 3i5yA1 LYS 512 HG3 -0.54 0.07 -0.03 -0.04 1.46 0.92 3i5yA1 LYS 512 HD2 -0.20 -0.01 -0.12 -0.04 1.69 1.33 3i5yA1 LYS 512 HD3 -0.17 -0.00 -0.09 -0.04 1.68 1.38 3i5yA1 LYS 512 HE2 -0.10 0.08 -0.02 -0.04 2.99 2.90 3i5yA1 LYS 512 HE3 -0.06 -0.08 -0.04 -0.04 2.99 2.77 3i5yA1 SER 513 H -0.11 0.44 -0.21 -0.55 8.46 8.03 3i5yA1 SER 513 HA -0.04 0.05 0.42 -0.75 4.49 4.17 3i5yA1 SER 513 HB2 -0.05 0.06 0.16 -0.04 3.95 4.09 3i5yA1 SER 513 HB3 -0.03 -0.01 0.02 -0.04 3.93 3.86 3i5yA1 GLU 514 H -0.05 0.64 -0.02 -0.55 8.60 8.63 3i5yA1 GLU 514 HA -0.03 0.03 0.36 -0.75 4.29 3.90 3i5yA1 GLU 514 HB2 -0.03 0.02 0.11 -0.04 2.09 2.14 3i5yA1 GLU 514 HB3 -0.03 0.00 0.14 -0.04 1.99 2.06 3i5yA1 GLU 514 HG2 -0.06 0.03 -0.15 -0.04 2.34 2.11 3i5yA1 GLU 514 HG3 -0.05 0.00 0.03 -0.04 2.34 2.28 3i5yA1 VAL 515 H 0.02 0.54 -0.19 -0.55 8.24 8.05 3i5yA1 VAL 515 HA -0.00 0.07 0.46 -0.75 4.13 3.91 3i5yA1 VAL 515 HB 0.37 0.04 0.11 -0.04 2.12 2.60 3i5yA1 VAL 515 HG13 0.06 -0.03 -0.13 -0.04 0.97 0.84 3i5yA1 VAL 515 HG23 0.17 0.02 -0.01 -0.04 0.95 1.10 3i5yA1 LEU 516 H 0.07 0.61 0.00 -0.55 8.37 8.51 3i5yA1 LEU 516 HA 0.11 -0.03 0.32 -0.75 4.35 3.99 3i5yA1 LEU 516 HB2 0.04 0.07 0.12 -0.04 1.64 1.82 3i5yA1 LEU 516 HB3 0.07 0.06 0.06 -0.04 1.64 1.79 3i5yA1 LEU 516 HG 0.20 0.02 0.13 -0.04 1.64 1.96 3i5yA1 LEU 516 HD13 0.09 -0.01 -0.01 -0.04 0.93 0.96 3i5yA1 LEU 516 HD23 0.25 -0.00 0.02 -0.04 0.89 1.12 3i5yA1 GLU 517 H 0.01 0.50 -0.19 -0.55 8.60 8.37 3i5yA1 GLU 517 HA 0.01 0.09 0.54 -0.75 4.29 4.17 3i5yA1 GLU 517 HB2 -0.01 0.13 0.07 -0.04 2.09 2.24 3i5yA1 GLU 517 HB3 -0.01 -0.06 0.01 -0.04 1.99 1.89 3i5yA1 GLU 517 HG2 -0.00 -0.03 0.03 -0.04 2.34 2.29 3i5yA1 GLU 517 HG3 -0.00 -0.02 0.04 -0.04 2.34 2.31 3i5yA1 ALA 518 H -0.01 0.25 -0.26 -0.55 8.40 7.83 3i5yA1 ALA 518 HA -0.01 0.06 0.55 -0.75 4.34 4.18 3i5yA1 ALA 518 HB3 -0.04 0.01 0.09 -0.04 1.41 1.43 3i5yA1 VAL 519 H 0.02 0.22 -0.31 -0.55 8.24 7.62 3i5yA1 VAL 519 HA 0.02 -0.11 0.43 -0.75 4.13 3.72 3i5yA1 VAL 519 HB 0.08 0.37 0.15 -0.04 2.12 2.67 3i5yA1 VAL 519 HG13 0.17 -0.05 -0.15 -0.04 0.97 0.90 3i5yA1 VAL 519 HG23 0.11 0.02 0.04 -0.04 0.95 1.07 3i5yA1 THR 520 H 0.05 0.01 0.19 -0.55 8.28 7.98 3i5yA1 THR 520 HA 0.03 0.30 0.82 -0.75 4.39 4.79 3i5yA1 THR 520 HB 0.02 -0.06 0.14 -0.04 4.32 4.38 3i5yA1 THR 520 HG23 0.01 0.08 -0.03 -0.04 1.22 1.24 3i5yA1 GLU 521 H 0.10 0.04 -0.05 -0.55 8.60 8.14 3i5yA1 GLU 521 HA 0.05 0.00 0.45 -0.75 4.29 4.03 3i5yA1 GLU 521 HB2 0.14 0.03 0.07 -0.04 2.09 2.29 3i5yA1 GLU 521 HB3 0.02 0.00 -0.08 -0.04 1.99 1.90 3i5yA1 GLU 521 HG2 0.11 -0.02 -0.05 -0.04 2.34 2.34 3i5yA1 GLU 521 HG3 0.07 -0.01 0.01 -0.04 2.34 2.38 3i5yA1 GLU 522 H 0.02 0.04 0.21 -0.55 8.60 8.33 3i5yA1 GLU 522 HA 0.01 0.27 0.54 -0.75 4.29 4.36 3i5yA1 GLU 522 HB2 0.01 -0.21 0.14 -0.04 2.09 1.99 3i5yA1 GLU 522 HB3 0.01 0.01 0.17 -0.04 1.99 2.14 3i5yA1 GLU 522 HG2 0.01 0.12 0.09 -0.04 2.34 2.52 3i5yA1 GLU 522 HG3 0.02 0.05 0.14 -0.04 2.34 2.50 3i5yA1 PRO 523 HA -0.04 0.12 0.41 -0.51 4.44 4.42 3i5yA1 PRO 523 HB2 0.06 0.01 0.02 -0.04 2.28 2.33 3i5yA1 PRO 523 HB3 0.02 0.10 0.09 -0.04 2.02 2.19 3i5yA1 PRO 523 HG2 0.01 0.07 0.10 -0.04 2.03 2.17 3i5yA1 PRO 523 HG3 -0.02 0.15 0.10 -0.04 2.03 2.22 3i5yA1 PRO 523 HD2 0.01 0.05 0.23 -0.04 3.68 3.93 3i5yA1 PRO 523 HD3 0.00 0.24 0.24 -0.04 3.65 4.09 3i5yA1 GLU 524 H 0.03 0.15 -0.19 -0.55 8.60 8.04 3i5yA1 GLU 524 HA 0.04 0.12 0.51 -0.75 4.29 4.20 3i5yA1 GLU 524 HB2 0.01 -0.03 0.07 -0.04 2.09 2.10 3i5yA1 GLU 524 HB3 0.01 0.02 -0.03 -0.04 1.99 1.94 3i5yA1 GLU 524 HG2 0.00 0.04 0.03 -0.04 2.34 2.36 3i5yA1 GLU 524 HG3 0.01 0.04 0.05 -0.04 2.34 2.39 3i5yA1 ASP 525 H 0.01 0.15 -0.22 -0.55 8.40 7.79 3i5yA1 ASP 525 HA 0.01 0.03 0.44 -0.75 4.63 4.35 3i5yA1 ASP 525 HB2 0.01 0.16 0.07 -0.04 2.71 2.91 3i5yA1 ASP 525 HB3 0.01 -0.01 0.02 -0.04 2.70 2.68 3i5yA1 ILE 526 H -0.01 0.50 -0.22 -0.55 8.25 7.97 3i5yA1 ILE 526 HA -0.16 -0.01 0.30 -0.75 4.18 3.55 3i5yA1 ILE 526 HB -0.06 0.11 0.06 -0.04 1.89 1.96 3i5yA1 ILE 526 HG12 -0.07 0.11 -0.18 -0.04 1.49 1.31 3i5yA1 ILE 526 HG13 -0.11 0.10 -0.16 -0.04 1.21 1.00 3i5yA1 ILE 526 HG23 -0.14 -0.01 -0.09 -0.04 0.93 0.66 3i5yA1 ILE 526 HD13 -0.22 -0.02 -0.08 -0.04 0.88 0.52 3i5yA1 SER 527 H 0.14 0.56 -0.20 -0.55 8.46 8.41 3i5yA1 SER 527 HA 0.15 0.02 0.53 -0.75 4.49 4.43 3i5yA1 SER 527 HB2 0.08 0.07 0.14 -0.04 3.95 4.19 3i5yA1 SER 527 HB3 0.03 0.12 0.21 -0.04 3.93 4.25 3i5yA1 ASP 528 H 0.01 0.51 -0.08 -0.55 8.40 8.30 3i5yA1 ASP 528 HA -0.00 0.00 0.38 -0.75 4.63 4.26 3i5yA1 ASP 528 HB2 0.01 0.15 0.16 -0.04 2.71 2.99 3i5yA1 ASP 528 HB3 0.01 -0.09 0.02 -0.04 2.70 2.60 3i5yA1 ILE 529 H -0.00 0.50 -0.30 -0.55 8.25 7.90 3i5yA1 ILE 529 HA 0.05 -0.11 0.34 -0.75 4.18 3.71 3i5yA1 ILE 529 HB -0.11 0.19 0.10 -0.04 1.89 2.03 3i5yA1 ILE 529 HG12 0.04 -0.04 -0.19 -0.04 1.49 1.25 3i5yA1 ILE 529 HG13 -0.01 0.01 -0.01 -0.04 1.21 1.16 3i5yA1 ILE 529 HG23 0.12 -0.04 -0.24 -0.04 0.93 0.73 3i5yA1 ILE 529 HD13 -0.24 -0.00 -0.12 -0.04 0.88 0.48 3i5yA1 VAL 530 H 0.03 0.62 -0.05 -0.55 8.24 8.28 3i5yA1 VAL 530 HA -0.01 -0.01 0.40 -0.75 4.13 3.75 3i5yA1 VAL 530 HB 0.06 0.10 0.17 -0.04 2.12 2.41 3i5yA1 VAL 530 HG13 -0.02 0.02 -0.02 -0.04 0.97 0.90 3i5yA1 VAL 530 HG23 0.08 0.05 -0.01 -0.04 0.95 1.03 3i5yA1 ILE 531 H 0.03 0.81 -0.08 -0.55 8.25 8.46 3i5yA1 ILE 531 HA 0.10 0.01 0.45 -0.75 4.18 3.99 3i5yA1 ILE 531 HB 0.04 0.10 0.13 -0.04 1.89 2.12 3i5yA1 ILE 531 HG12 0.21 -0.05 0.00 -0.04 1.49 1.61 3i5yA1 ILE 531 HG13 0.06 0.04 0.03 -0.04 1.21 1.30 3i5yA1 ILE 531 HG23 0.16 -0.02 -0.13 -0.04 0.93 0.90 3i5yA1 ILE 531 HD13 -0.16 -0.01 -0.12 -0.04 0.88 0.55 3i5yA1 SER 532 H 0.04 0.61 -0.15 -0.55 8.46 8.42 3i5yA1 SER 532 HA 0.05 0.01 0.44 -0.75 4.49 4.24 3i5yA1 SER 532 HB2 0.04 -0.12 0.12 -0.04 3.95 3.94 3i5yA1 SER 532 HB3 0.04 0.15 0.17 -0.04 3.93 4.26 3i5yA1 LEU 533 H 0.01 0.41 -0.36 -0.55 8.37 7.88 3i5yA1 LEU 533 HA 0.03 -0.03 0.50 -0.75 4.35 4.08 3i5yA1 LEU 533 HB2 -0.14 0.23 0.17 -0.04 1.64 1.86 3i5yA1 LEU 533 HB3 -0.26 -0.07 0.00 -0.04 1.64 1.27 3i5yA1 LEU 533 HG -0.06 0.04 0.03 -0.04 1.64 1.61 3i5yA1 LEU 533 HD13 -0.36 -0.01 -0.04 -0.04 0.93 0.48 3i5yA1 LEU 533 HD23 -0.24 -0.03 0.01 -0.04 0.89 0.58 3i5yA1 ILE 534 H 0.00 0.56 -0.04 -0.55 8.25 8.22 3i5yA1 ILE 534 HA -0.01 -0.01 0.47 -0.75 4.18 3.87 3i5yA1 ILE 534 HB 0.09 0.12 0.19 -0.04 1.89 2.25 3i5yA1 ILE 534 HG12 -0.08 -0.00 0.03 -0.04 1.49 1.39 3i5yA1 ILE 534 HG13 -0.06 0.08 -0.01 -0.04 1.21 1.18 3i5yA1 ILE 534 HG23 0.09 -0.01 -0.10 -0.04 0.93 0.86 3i5yA1 ILE 534 HD13 0.03 -0.02 -0.05 -0.04 0.88 0.81 3i5yA1 SER 535 H 0.06 0.53 -0.07 -0.55 8.46 8.44 3i5yA1 SER 535 HA 0.04 0.03 0.39 -0.75 4.49 4.19 3i5yA1 SER 535 HB2 0.03 0.09 0.13 -0.04 3.95 4.16 3i5yA1 SER 535 HB3 0.02 -0.03 0.04 -0.04 3.93 3.92 3i5yA1 SER 536 H 0.04 0.49 -0.17 -0.55 8.46 8.27 3i5yA1 SER 536 HA -0.02 0.01 0.41 -0.75 4.49 4.13 3i5yA1 SER 536 HB2 -0.00 -0.04 0.09 -0.04 3.95 3.96 3i5yA1 SER 536 HB3 0.03 0.05 0.21 -0.04 3.93 4.18 3i5yA1 TYR 537 H 0.20 0.69 -0.05 -0.55 8.29 8.59 3i5yA1 TYR 537 HA 0.10 0.01 0.42 -0.75 4.56 4.33 3i5yA1 TYR 537 HB2 -0.08 0.17 0.14 -0.04 3.06 3.25 3i5yA1 TYR 537 HB3 0.01 -0.07 -0.04 -0.04 2.98 2.83 3i5yA1 TYR 537 HD2 -0.07 0.13 0.04 -0.04 7.15 7.21 3i5yA1 TYR 537 HE2 -0.17 -0.02 0.02 -0.04 6.85 6.64 3i5yA1 ARG 538 H 0.10 0.61 -0.26 -0.55 8.46 8.36 3i5yA1 ARG 538 HA 0.09 -0.05 0.48 -0.75 4.34 4.10 3i5yA1 ARG 538 HB2 0.05 0.17 0.11 -0.04 1.90 2.20 3i5yA1 ARG 538 HB3 0.03 0.09 0.10 -0.04 1.80 1.98 3i5yA1 ARG 538 HG2 0.02 -0.02 -0.00 -0.04 1.67 1.62 3i5yA1 ARG 538 HG3 0.04 -0.08 0.05 -0.04 1.67 1.65 3i5yA1 ARG 538 HD2 0.03 -0.02 -0.05 -0.04 3.22 3.13 3i5yA1 ARG 538 HD3 0.01 0.02 -0.01 -0.04 3.22 3.19 3i5yA1 SER 539 H 0.01 0.49 -0.17 -0.55 8.46 8.25 3i5yA1 SER 539 HA -0.03 0.02 0.43 -0.75 4.49 4.16 3i5yA1 SER 539 HB2 -0.04 -0.05 0.14 -0.04 3.95 3.96 3i5yA1 SER 539 HB3 -0.04 0.23 0.23 -0.04 3.93 4.31 3i5yA1 CYS 540 H -0.03 0.32 -0.35 -0.55 8.50 7.89 3i5yA1 CYS 540 HA -0.27 0.13 0.80 -0.75 4.58 4.48 3i5yA1 CYS 540 HB2 -0.96 -0.09 0.10 -0.04 2.97 1.98 3i5yA1 CYS 540 HB3 -0.30 0.07 -0.04 -0.04 2.97 2.65 3i5yA1 ILE 541 H 0.01 0.42 -0.27 -0.55 8.25 7.85 3i5yA1 ILE 541 HA 0.10 0.01 0.38 -0.75 4.18 3.91 3i5yA1 ILE 541 HB 0.05 0.10 0.15 -0.04 1.89 2.15 3i5yA1 ILE 541 HG12 0.35 -0.10 -0.04 -0.04 1.49 1.67 3i5yA1 ILE 541 HG13 0.18 0.29 0.15 -0.04 1.21 1.78 3i5yA1 ILE 541 HG23 0.10 -0.01 -0.17 -0.04 0.93 0.82 3i5yA1 ILE 541 HD13 0.10 -0.03 0.00 -0.04 0.88 0.92 3i5yA1 LYS 542 H -0.05 0.21 -0.05 -0.55 8.42 7.97 3i5yA1 LYS 542 HA -0.03 0.10 0.49 -0.75 4.32 4.13 3i5yA1 LYS 542 HB2 -0.06 0.02 0.12 -0.04 1.87 1.91 3i5yA1 LYS 542 HB3 -0.05 0.05 -0.01 -0.04 1.79 1.74 3i5yA1 LYS 542 HG2 -0.01 0.02 0.06 -0.04 1.46 1.48 3i5yA1 LYS 542 HG3 -0.02 -0.01 0.06 -0.04 1.46 1.45 3i5yA1 GLU 543 H -0.20 0.08 -0.24 -0.55 8.60 7.69 3i5yA1 GLU 543 HA -0.12 0.08 0.38 -0.75 4.29 3.88 3i5yA1 GLU 543 HB2 -0.26 0.01 0.12 -0.04 2.09 1.92 3i5yA1 GLU 543 HB3 -0.66 0.07 0.07 -0.04 1.99 1.42 3i5yA1 GLU 543 HG2 -0.14 0.02 -0.01 -0.04 2.34 2.17 3i5yA1 GLU 543 HG3 -0.12 0.01 0.07 -0.04 2.34 2.26 3i5yA1 TYR 544 H -0.34 0.53 -0.20 -0.55 8.29 7.72 3i5yA1 TYR 544 HA -0.17 0.16 0.71 -0.75 4.56 4.51 3i5yA1 TYR 544 HB2 -1.25 0.08 0.02 -0.04 3.06 1.88 3i5yA1 TYR 544 HB3 -0.59 -0.10 0.06 -0.04 2.98 2.31 3i5yA1 TYR 544 HD2 -0.13 0.06 -0.13 -0.04 7.15 6.90 3i5yA1 TYR 544 HE2 0.01 -0.02 -0.12 -0.04 6.85 6.68 3i5yA1 ARG 545 H -0.09 0.26 -0.48 -0.55 8.46 7.59 3i5yA1 ARG 545 HA 0.01 0.05 0.35 -0.75 4.34 3.99 3i5yA1 ARG 545 HB2 0.03 0.09 -0.09 -0.04 1.90 1.89 3i5yA1 ARG 545 HB3 0.04 -0.07 0.17 -0.04 1.80 1.90 3i5yA1 ARG 545 HG2 -0.00 0.04 0.03 -0.04 1.67 1.71 3i5yA1 ARG 545 HG3 -0.00 0.04 -0.18 -0.04 1.67 1.48 3i5yA1 ARG 545 HD2 0.01 -0.02 -0.04 -0.04 3.22 3.13 3i5yA1 ARG 545 HD3 0.01 -0.04 0.01 -0.04 3.22 3.16 3i5yA1 PHE 546 H 0.04 0.44 0.02 -0.55 8.34 8.28 3i5yA1 PHE 546 HA 0.09 0.16 0.69 -0.75 4.62 4.80 3i5yA1 PHE 546 HB2 0.09 -0.07 0.02 -0.04 3.15 3.15 3i5yA1 PHE 546 HB3 0.08 -0.06 -0.07 -0.04 3.06 2.97 3i5yA1 PHE 546 HD2 0.16 0.05 -0.09 -0.04 7.28 7.36 3i5yA1 PHE 546 HE2 0.24 -0.08 -0.03 -0.04 7.38 7.48 3i5yA1 PHE 546 HZ 0.13 -0.05 0.03 -0.04 7.32 7.39 3i5yA1 SER 547 H 0.17 0.21 0.18 -0.55 8.46 8.48 3i5yA1 SER 547 HA 0.09 0.18 0.82 -0.75 4.49 4.83 3i5yA1 SER 547 HB2 0.06 0.16 0.13 -0.04 3.95 4.27 3i5yA1 SER 547 HB3 0.04 -0.03 0.26 -0.04 3.93 4.16 3i5yA1 GLU 548 H 0.07 0.32 0.09 -0.55 8.60 8.54 3i5yA1 GLU 548 HA 0.06 0.06 0.38 -0.75 4.29 4.04 3i5yA1 GLU 548 HB2 0.06 0.09 0.12 -0.04 2.09 2.31 3i5yA1 GLU 548 HB3 0.03 -0.01 0.11 -0.04 1.99 2.08 3i5yA1 GLU 548 HG2 0.02 -0.03 -0.14 -0.04 2.34 2.15 3i5yA1 GLU 548 HG3 0.04 -0.01 0.05 -0.04 2.34 2.38 3i5yA1 ARG 549 H 0.02 0.10 -0.16 -0.55 8.46 7.88 3i5yA1 ARG 549 HA -0.00 0.09 0.42 -0.75 4.34 4.10 3i5yA1 ARG 549 HB2 0.00 0.07 0.05 -0.04 1.90 1.98 3i5yA1 ARG 549 HB3 0.01 -0.00 0.08 -0.04 1.80 1.84 3i5yA1 ARG 549 HG2 0.02 -0.08 0.04 -0.04 1.67 1.61 3i5yA1 ARG 549 HG3 0.01 0.02 -0.11 -0.04 1.67 1.55 3i5yA1 ARG 549 HD2 0.01 0.01 -0.00 -0.04 3.22 3.20 3i5yA1 ARG 549 HD3 0.01 0.02 0.01 -0.04 3.22 3.22 3i5yA1 ARG 550 H -0.00 0.12 -0.38 -0.55 8.46 7.65 3i5yA1 ARG 550 HA -0.03 0.22 0.89 -0.75 4.34 4.68 3i5yA1 ARG 550 HB2 -0.01 -0.02 0.18 -0.04 1.90 2.01 3i5yA1 ARG 550 HB3 -0.03 -0.01 0.03 -0.04 1.80 1.74 3i5yA1 ARG 550 HG2 -0.01 0.07 -0.01 -0.04 1.67 1.68 3i5yA1 ARG 550 HG3 0.00 -0.06 -0.08 -0.04 1.67 1.49 3i5yA1 ARG 550 HD2 -0.00 -0.01 0.01 -0.04 3.22 3.17 3i5yA1 ARG 550 HD3 0.00 0.04 -0.00 -0.04 3.22 3.21 3i5yA1 ILE 551 H -0.05 0.70 0.20 -0.55 8.25 8.54 3i5yA1 ILE 551 HA -0.19 -0.03 0.28 -0.75 4.18 3.48 3i5yA1 ILE 551 HB -0.25 0.04 0.13 -0.04 1.89 1.76 3i5yA1 ILE 551 HG12 -0.43 0.05 -0.07 -0.04 1.49 0.99 3i5yA1 ILE 551 HG13 -0.29 -0.04 -0.18 -0.04 1.21 0.66 3i5yA1 ILE 551 HG23 0.04 0.06 -0.07 -0.04 0.93 0.92 3i5yA1 ILE 551 HD13 -0.54 0.03 -0.12 -0.04 0.88 0.22 3i5yA1 LEU 552 H -0.05 0.41 -0.09 -0.55 8.37 8.09 3i5yA1 LEU 552 HA -0.12 0.00 0.31 -0.75 4.35 3.79 3i5yA1 LEU 552 HB2 -0.03 0.17 0.08 -0.04 1.64 1.81 3i5yA1 LEU 552 HB3 -0.04 -0.04 -0.01 -0.04 1.64 1.51 3i5yA1 LEU 552 HG 0.02 0.03 0.11 -0.04 1.64 1.76 3i5yA1 LEU 552 HD13 0.03 -0.00 -0.02 -0.04 0.93 0.90 3i5yA1 LEU 552 HD23 0.04 -0.01 -0.14 -0.04 0.89 0.74 3i5yA1 PRO 553 HA -0.14 0.09 0.57 -0.51 4.44 4.45 3i5yA1 PRO 553 HB2 -0.06 0.06 -0.02 -0.04 2.28 2.22 3i5yA1 PRO 553 HB3 -0.07 0.08 0.01 -0.04 2.02 1.99 3i5yA1 PRO 553 HG2 -0.04 0.30 0.09 -0.04 2.03 2.33 3i5yA1 PRO 553 HG3 -0.06 0.03 0.05 -0.04 2.03 2.01 3i5yA1 PRO 553 HD2 -0.06 0.07 -0.55 -0.04 3.68 3.09 3i5yA1 PRO 553 HD3 -0.05 0.10 0.01 -0.04 3.65 3.67 3i5yA1 GLU 554 H -0.11 0.43 -0.28 -0.55 8.60 8.09 3i5yA1 GLU 554 HA -0.06 0.08 0.54 -0.75 4.29 4.09 3i5yA1 GLU 554 HB2 -0.07 0.11 0.13 -0.04 2.09 2.21 3i5yA1 GLU 554 HB3 -0.15 0.16 0.15 -0.04 1.99 2.12 3i5yA1 GLU 554 HG2 -0.04 -0.03 0.03 -0.04 2.34 2.26 3i5yA1 GLU 554 HG3 -0.05 -0.08 -0.13 -0.04 2.34 2.04 3i5yA1 ILE 555 H -0.24 0.51 -0.06 -0.55 8.25 7.91 3i5yA1 ILE 555 HA -0.40 -0.06 0.47 -0.75 4.18 3.43 3i5yA1 ILE 555 HB -0.29 0.13 0.11 -0.04 1.89 1.80 3i5yA1 ILE 555 HG12 -0.52 0.32 0.09 -0.04 1.49 1.33 3i5yA1 ILE 555 HG13 -0.75 0.01 -0.03 -0.04 1.21 0.39 3i5yA1 ILE 555 HG23 -0.47 -0.01 -0.20 -0.04 0.93 0.21 3i5yA1 ILE 555 HD13 -1.42 -0.05 -0.02 -0.04 0.88 -0.65 3i5yA1 ALA 556 H -0.17 0.51 -0.14 -0.55 8.40 8.05 3i5yA1 ALA 556 HA -0.13 -0.02 0.40 -0.75 4.34 3.83 3i5yA1 ALA 556 HB3 -0.28 0.05 0.15 -0.04 1.41 1.29 3i5yA1 SER 557 H -0.08 0.40 -0.33 -0.55 8.46 7.91 3i5yA1 SER 557 HA 0.01 0.16 0.54 -0.75 4.49 4.44 3i5yA1 SER 557 HB2 0.01 0.02 0.18 -0.04 3.95 4.12 3i5yA1 SER 557 HB3 -0.03 0.20 0.18 -0.04 3.93 4.24 3i5yA1 THR 558 H -0.00 0.44 -0.44 -0.55 8.28 7.73 3i5yA1 THR 558 HA 0.10 -0.09 0.56 -0.75 4.39 4.20 3i5yA1 THR 558 HB 0.04 0.11 0.09 -0.04 4.32 4.51 3i5yA1 THR 558 HG23 0.18 -0.04 -0.03 -0.04 1.22 1.30 3i5yA1 TYR 559 H 0.13 0.47 -0.22 -0.55 8.29 8.12 3i5yA1 TYR 559 HA -0.02 -0.00 0.37 -0.75 4.56 4.15 3i5yA1 TYR 559 HB2 -0.03 -0.05 0.11 -0.04 3.06 3.05 3i5yA1 TYR 559 HB3 -0.03 0.21 0.14 -0.04 2.98 3.25 3i5yA1 TYR 559 HD2 -0.02 0.05 -0.33 -0.04 7.15 6.82 3i5yA1 TYR 559 HE2 -0.01 0.07 -0.12 -0.04 6.85 6.75 3i5yA1 GLY 560 H 0.14 0.24 -0.20 -0.55 8.43 8.07 3i5yA1 GLY 560 HA2 -0.01 0.05 0.32 -0.51 4.01 3.86 3i5yA1 GLY 560 HA3 0.06 0.25 0.21 -0.51 4.01 4.02 3i5yA1 VAL 561 H 0.05 0.39 -0.20 -0.55 8.24 7.93 3i5yA1 VAL 561 HA 0.06 0.03 0.29 -0.75 4.13 3.75 3i5yA1 VAL 561 HB 0.11 0.04 0.14 -0.04 2.12 2.37 3i5yA1 VAL 561 HG13 0.21 -0.02 -0.11 -0.04 0.97 1.00 3i5yA1 VAL 561 HG23 0.08 0.07 0.04 -0.04 0.95 1.10 3i5yA1 LEU 562 H 0.03 0.50 -0.17 -0.55 8.37 8.18 3i5yA1 LEU 562 HA 0.13 0.04 0.41 -0.75 4.35 4.18 3i5yA1 LEU 562 HB2 -0.05 0.10 0.10 -0.04 1.64 1.74 3i5yA1 LEU 562 HB3 0.03 -0.01 -0.00 -0.04 1.64 1.62 3i5yA1 LEU 562 HG 0.11 0.01 0.05 -0.04 1.64 1.77 3i5yA1 LEU 562 HD13 -0.02 -0.03 -0.06 -0.04 0.93 0.78 3i5yA1 LEU 562 HD23 0.28 -0.01 -0.02 -0.04 0.89 1.10 3i5yA1 LEU 563 H -0.13 0.37 -0.23 -0.55 8.37 7.83 3i5yA1 LEU 563 HA -0.07 0.15 0.70 -0.75 4.35 4.38 3i5yA1 LEU 563 HB2 -0.23 0.07 0.06 -0.04 1.64 1.50 3i5yA1 LEU 563 HB3 -0.11 -0.03 0.08 -0.04 1.64 1.53 3i5yA1 LEU 563 HG -0.40 -0.01 -0.03 -0.04 1.64 1.16 3i5yA1 LEU 563 HD13 -0.43 -0.03 -0.02 -0.04 0.93 0.41 3i5yA1 LEU 563 HD23 -0.10 -0.00 -0.00 -0.04 0.89 0.74 3i5yA1 ASN 564 H -0.00 0.18 -0.68 -0.55 8.53 7.49 3i5yA1 ASN 564 HA 0.02 0.03 0.28 -0.75 4.76 4.33 3i5yA1 ASN 564 HB2 0.01 0.04 -0.29 -0.04 2.88 2.59 3i5yA1 ASN 564 HB3 -0.00 0.12 0.12 -0.04 2.79 2.99 3i5yA1 ASN 564 HD21 -0.01 -0.08 0.03 -0.04 7.03 6.93 3i5yA1 ASN 564 HD22 -0.01 0.04 0.04 -0.04 7.74 7.77 3i5yA1 ASP 565 H -0.01 0.50 -0.20 -0.55 8.40 8.14 3i5yA1 ASP 565 HA 0.01 0.15 0.69 -0.75 4.63 4.71 3i5yA1 ASP 565 HB2 -0.00 0.13 -0.14 -0.04 2.71 2.66 3i5yA1 ASP 565 HB3 0.01 -0.04 0.12 -0.04 2.70 2.74 3i5yA1 PRO 566 HA 0.03 0.01 0.15 -0.51 4.44 4.12 3i5yA1 PRO 566 HB2 0.01 0.03 -0.03 -0.04 2.28 2.25 3i5yA1 PRO 566 HB3 0.02 -0.00 0.03 -0.04 2.02 2.03 3i5yA1 PRO 566 HG2 0.01 0.04 0.00 -0.04 2.03 2.04 3i5yA1 PRO 566 HG3 0.02 0.02 -0.03 -0.04 2.03 1.99 3i5yA1 PRO 566 HD2 0.01 0.10 0.07 -0.04 3.68 3.82 3i5yA1 PRO 566 HD3 0.01 0.24 -0.26 -0.04 3.65 3.60 3i5yA1 GLN 567 H 0.02 0.06 -0.30 -0.55 8.47 7.70 3i5yA1 GLN 567 HA 0.02 0.20 0.70 -0.75 4.36 4.52 3i5yA1 GLN 567 HB2 0.01 0.02 0.10 -0.04 2.15 2.24 3i5yA1 GLN 567 HB3 0.01 -0.04 0.00 -0.04 2.02 1.95 3i5yA1 GLN 567 HG2 0.02 -0.04 -0.10 -0.04 2.40 2.23 3i5yA1 GLN 567 HG3 0.02 0.02 -0.19 -0.04 2.39 2.19 3i5yA1 GLN 567 HE21 0.01 -0.01 -0.03 -0.04 6.97 6.90 3i5yA1 GLN 567 HE22 0.01 0.01 -0.06 -0.04 7.69 7.61 3i5yA1 LEU 568 H 0.04 0.39 -0.19 -0.55 8.37 8.07 3i5yA1 LEU 568 HA 0.05 0.02 0.63 -0.75 4.35 4.30 3i5yA1 LEU 568 HB2 0.05 -0.07 0.09 -0.04 1.64 1.66 3i5yA1 LEU 568 HB3 0.09 0.07 0.09 -0.04 1.64 1.84 3i5yA1 LEU 568 HG 0.22 0.10 -0.12 -0.04 1.64 1.79 3i5yA1 LEU 568 HD13 0.07 -0.04 0.05 -0.04 0.93 0.98 3i5yA1 LEU 568 HD23 0.06 -0.02 -0.02 -0.04 0.89 0.86 3i5yA1 LYS 569 H 0.06 0.10 0.12 -0.55 8.42 8.14 3i5yA1 LYS 569 HA 0.02 0.23 0.81 -0.75 4.32 4.61 3i5yA1 LYS 569 HB2 0.01 -0.09 -0.17 -0.04 1.87 1.58 3i5yA1 LYS 569 HB3 -0.03 -0.02 -0.26 -0.04 1.79 1.43 3i5yA1 LYS 569 HG2 -0.03 0.10 -0.20 -0.04 1.46 1.29 3i5yA1 LYS 569 HG3 0.01 0.04 -0.33 -0.04 1.46 1.13 3i5yA1 LYS 569 HD2 -0.02 0.02 -0.58 -0.04 1.69 1.07 3i5yA1 LYS 569 HD3 -0.02 0.06 -0.14 -0.04 1.68 1.54 3i5yA1 LYS 569 HE2 0.01 -0.03 -0.07 -0.04 2.99 2.86 3i5yA1 LYS 569 HE3 0.02 -0.14 -0.17 -0.04 2.99 2.65 3i5yA1 ILE 570 H -0.18 0.42 0.23 -0.55 8.25 8.18 3i5yA1 ILE 570 HA -0.89 0.10 0.32 -0.75 4.18 2.96 3i5yA1 ILE 570 HB 0.02 -0.03 0.13 -0.04 1.89 1.96 3i5yA1 ILE 570 HG12 -0.84 -0.05 0.05 -0.04 1.49 0.61 3i5yA1 ILE 570 HG13 -0.32 0.11 0.17 -0.04 1.21 1.12 3i5yA1 ILE 570 HG23 -0.32 0.00 -0.10 -0.04 0.93 0.48 3i5yA1 ILE 570 HD13 -0.17 -0.01 0.05 -0.04 0.88 0.71 3i5yA1 PRO 571 HA -0.02 0.28 0.70 -0.51 4.44 4.89 3i5yA1 PRO 571 HB2 -0.04 -0.01 0.04 -0.04 2.28 2.23 3i5yA1 PRO 571 HB3 -0.01 0.04 0.12 -0.04 2.02 2.14 3i5yA1 PRO 571 HG2 -0.04 -0.05 0.15 -0.04 2.03 2.05 3i5yA1 PRO 571 HG3 0.04 0.04 0.10 -0.04 2.03 2.17 3i5yA1 PRO 571 HD2 -0.36 0.00 0.24 -0.04 3.68 3.51 3i5yA1 PRO 571 HD3 -0.03 0.34 0.28 -0.04 3.65 4.19 3i5yA1 VAL 572 H -0.03 0.62 0.46 -0.55 8.24 8.75 3i5yA1 VAL 572 HA -0.20 0.14 0.72 -0.75 4.13 4.04 3i5yA1 VAL 572 HB -0.21 -0.14 0.09 -0.04 2.12 1.81 3i5yA1 VAL 572 HG13 -0.34 0.03 -0.30 -0.04 0.97 0.32 3i5yA1 VAL 572 HG23 -0.13 0.03 -0.23 -0.04 0.95 0.58 3i5yA1 SER 573 H -0.07 0.12 0.15 -0.55 8.46 8.11 3i5yA1 SER 573 HA -0.02 0.19 0.84 -0.75 4.49 4.75 3i5yA1 SER 573 HB2 0.03 -0.15 0.08 -0.04 3.95 3.87 3i5yA1 SER 573 HB3 0.00 -0.03 0.15 -0.04 3.93 4.01 3i5yA1 ARG 574 H -0.00 0.21 0.17 -0.55 8.46 8.29 3i5yA1 ARG 574 HA -0.01 0.15 0.48 -0.75 4.34 4.21 3i5yA1 ARG 574 HB2 -0.00 0.06 0.13 -0.04 1.90 2.05 3i5yA1 ARG 574 HB3 -0.00 0.00 0.10 -0.04 1.80 1.86 3i5yA1 ARG 575 H 0.01 0.09 -0.06 -0.55 8.46 7.95 3i5yA1 ARG 575 HA -0.02 0.14 0.45 -0.75 4.34 4.16 3i5yA1 PHE 576 H 0.11 0.03 -0.37 -0.55 8.34 7.55 3i5yA1 PHE 576 HA -0.09 0.14 0.55 -0.75 4.62 4.46 3i5yA1 PHE 576 HB2 -0.10 -0.01 0.08 -0.04 3.15 3.08 3i5yA1 PHE 576 HB3 -0.16 0.05 0.12 -0.04 3.06 3.03 3i5yA1 PHE 576 HD2 -0.26 0.02 -0.12 -0.04 7.28 6.88 3i5yA1 PHE 576 HE2 -0.25 0.03 -0.06 -0.04 7.38 7.06 3i5yA1 PHE 576 HZ -0.07 0.01 -0.04 -0.04 7.32 7.18 3i5yA1 LEU 577 H -0.00 0.40 -0.14 -0.55 8.37 8.08 3i5yA1 LEU 577 HA -0.24 0.06 0.42 -0.75 4.35 3.83 3i5yA1 LEU 577 HB2 -0.06 0.11 0.07 -0.04 1.64 1.72 3i5yA1 LEU 577 HB3 -0.05 0.07 0.01 -0.04 1.64 1.63 3i5yA1 LEU 577 HG -0.03 -0.15 -0.23 -0.04 1.64 1.19 3i5yA1 LEU 577 HD13 -0.11 0.02 -0.10 -0.04 0.93 0.71 3i5yA1 LEU 577 HD23 0.02 0.02 -0.12 -0.04 0.89 0.77 3i5yA1 ASP 578 H -0.08 0.41 -0.31 -0.55 8.40 7.87 3i5yA1 ASP 578 HA -0.07 -0.07 0.55 -0.75 4.63 4.28 3i5yA1 ASP 578 HB2 -0.05 0.09 0.12 -0.04 2.71 2.83 3i5yA1 ASP 578 HB3 -0.05 0.03 0.00 -0.04 2.70 2.64 3i5yA1 LYS 579 H -0.20 0.27 -0.28 -0.55 8.42 7.65 3i5yA1 LYS 579 HA -0.13 0.09 0.57 -0.75 4.32 4.10 3i5yA1 LYS 579 HB2 -0.41 0.14 0.17 -0.04 1.87 1.72 3i5yA1 LYS 579 HB3 -0.23 -0.02 0.02 -0.04 1.79 1.53 3i5yA1 LEU 580 H -0.33 0.25 -0.26 -0.55 8.37 7.49 3i5yA1 LEU 580 HA -0.16 0.09 0.43 -0.75 4.35 3.95 3i5yA1 LEU 580 HB2 -0.21 0.06 0.09 -0.04 1.64 1.53 3i5yA1 LEU 580 HB3 -0.08 -0.03 -0.00 -0.04 1.64 1.49 3i5yA1 LEU 580 HG -0.15 -0.02 -0.01 -0.04 1.64 1.41 3i5yA1 LEU 580 HD13 -0.80 0.09 -0.05 -0.04 0.93 0.12 3i5yA1 LEU 580 HD23 -0.30 -0.02 -0.07 -0.04 0.89 0.47 3i5yA1 GLY 581 H -0.11 0.13 -0.52 -0.55 8.43 7.39 3i5yA1 GLY 581 HA2 -0.05 0.04 0.28 -0.51 4.01 3.77 3i5yA1 GLY 581 HA3 -0.04 0.13 0.45 -0.51 4.01 4.04 3i5yA1 LEU 582 H -0.05 0.37 0.01 -0.55 8.37 8.16 3i5yA1 LEU 582 HA 0.01 0.19 0.84 -0.75 4.35 4.63 3i5yA1 LEU 582 HB2 0.04 0.07 -0.03 -0.04 1.64 1.68 3i5yA1 LEU 582 HB3 0.06 -0.14 0.14 -0.04 1.64 1.66 3i5yA1 LEU 582 HG 0.01 0.18 -0.50 -0.04 1.64 1.29 3i5yA1 LEU 582 HD13 0.13 -0.01 -0.11 -0.04 0.93 0.90 3i5yA1 LEU 582 HD23 0.03 0.01 -0.07 -0.04 0.89 0.81 3i5yA1 SER 583 H -0.02 0.16 -0.06 -0.55 8.46 7.99 3i5yA1 SER 583 HA 0.00 0.10 0.30 -0.75 4.49 4.14 3i5yA1 SER 583 HB2 -0.01 0.03 0.03 -0.04 3.95 3.96 3i5yA1 SER 583 HB3 -0.03 -0.03 -0.05 -0.04 3.93 3.78 3i5yA1 ARG 584 H -0.00 0.04 -0.37 -0.55 8.46 7.58 3i5yA1 ARG 584 HA 0.01 0.23 0.76 -0.75 4.34 4.59 3i5yA1 ARG 584 HB2 -0.00 0.00 -0.04 -0.04 1.90 1.82 3i5yA1 ARG 584 HB3 0.00 0.03 0.12 -0.04 1.80 1.91 3i5yA1 ARG 584 HG2 -0.00 0.07 -0.13 -0.04 1.67 1.57 3i5yA1 ARG 584 HG3 -0.01 -0.09 -0.14 -0.04 1.67 1.39 3i5yA1 ARG 584 HD2 -0.00 0.00 -0.04 -0.04 3.22 3.14 3i5yA1 ARG 584 HD3 -0.00 0.01 -0.03 -0.04 3.22 3.15 3i5yA1 SER 585 H 0.02 0.39 -0.40 -0.55 8.46 7.93 3i5yA1 SER 585 HA 0.01 0.23 0.73 -0.75 4.49 4.71 3i5yA1 SER 585 HB2 0.02 0.09 0.09 -0.04 3.95 4.11 3i5yA1 SER 585 HB3 0.03 0.02 0.19 -0.04 3.93 4.13 3i5yA1 PRO 586 HA 0.02 0.15 0.61 -0.51 4.44 4.70 3i5yA1 PRO 586 HB2 0.01 0.05 -0.00 -0.04 2.28 2.29 3i5yA1 PRO 586 HB3 0.01 0.09 0.11 -0.04 2.02 2.18 3i5yA1 PRO 586 HG2 0.01 -0.02 0.10 -0.04 2.03 2.08 3i5yA1 PRO 586 HG3 0.01 0.10 0.10 -0.04 2.03 2.19 3i5yA1 PRO 586 HD2 0.01 0.05 0.29 -0.04 3.68 3.99 3i5yA1 PRO 586 HD3 0.01 0.30 0.21 -0.04 3.65 4.13 3i5yA1 ILE 587 H 0.01 0.13 -0.10 -0.55 8.25 7.74 3i5yA1 ILE 587 HA -0.01 0.14 0.46 -0.75 4.18 4.02 3i5yA1 ILE 587 HB 0.02 -0.02 0.01 -0.04 1.89 1.86 3i5yA1 ILE 587 HG12 0.00 0.06 0.04 -0.04 1.49 1.55 3i5yA1 ILE 587 HG13 0.01 -0.04 0.06 -0.04 1.21 1.20 3i5yA1 ILE 587 HG23 -0.01 0.03 -0.11 -0.04 0.93 0.80 3i5yA1 ILE 587 HD13 0.01 0.01 -0.14 -0.04 0.88 0.72 3i5yA1 GLY 588 H 0.05 0.10 -0.35 -0.55 8.43 7.68 3i5yA1 GLY 588 HA2 0.17 0.01 0.41 -0.51 4.01 4.09 3i5yA1 GLY 588 HA3 0.13 0.15 0.25 -0.51 4.01 4.04 3i5yA1 LYS 589 H 0.04 0.21 -0.27 -0.55 8.42 7.85 3i5yA1 LYS 589 HA 0.06 0.08 0.52 -0.75 4.32 4.23 3i5yA1 LYS 589 HB2 0.03 -0.00 0.10 -0.04 1.87 1.96 3i5yA1 LYS 589 HB3 0.02 0.10 0.13 -0.04 1.79 1.99 3i5yA1 LYS 589 HG2 0.01 0.03 -0.10 -0.04 1.46 1.36 3i5yA1 LYS 589 HG3 0.03 -0.02 0.08 -0.04 1.46 1.50 3i5yA1 ALA 590 H -0.00 0.27 -0.29 -0.55 8.40 7.83 3i5yA1 ALA 590 HA -0.02 0.09 0.45 -0.75 4.34 4.10 3i5yA1 ALA 590 HB3 -0.04 0.00 0.10 -0.04 1.41 1.43 3i5yA1 MET 591 H -0.11 0.17 -0.30 -0.55 8.47 7.69 3i5yA1 MET 591 HA -0.28 0.09 0.53 -0.75 4.52 4.10 3i5yA1 MET 591 HB2 -0.64 0.03 0.10 -0.04 2.15 1.59 3i5yA1 MET 591 HB3 -1.13 -0.09 -0.02 -0.04 2.03 0.75 3i5yA1 MET 591 HG2 -0.27 -0.04 -0.09 -0.04 2.63 2.20 3i5yA1 MET 591 HG3 -0.17 0.12 -0.05 -0.04 2.56 2.41 3i5yA1 MET 591 HE3 -0.16 -0.02 -0.05 -0.04 2.10 1.83 3i5yA1 PHE 592 H -0.01 0.42 -0.04 -0.55 8.34 8.16 3i5yA1 PHE 592 HA -0.07 0.12 0.90 -0.75 4.62 4.82 3i5yA1 PHE 592 HB2 0.01 0.03 -0.05 -0.04 3.15 3.10 3i5yA1 PHE 592 HB3 -0.02 0.03 -0.06 -0.04 3.06 2.97 3i5yA1 PHE 592 HD2 -0.03 0.13 -0.04 -0.04 7.28 7.30 3i5yA1 PHE 592 HE2 0.02 -0.03 -0.07 -0.04 7.38 7.25 3i5yA1 PHE 592 HZ 0.09 -0.03 -0.07 -0.04 7.32 7.27 3i5yA1 GLU 593 H 0.09 0.56 0.01 -0.55 8.60 8.72 3i5yA1 GLU 593 HA 0.06 0.18 0.74 -0.75 4.29 4.52 3i5yA1 GLU 593 HB2 0.03 0.06 -0.09 -0.04 2.09 2.05 3i5yA1 GLU 593 HB3 0.02 0.01 -0.16 -0.04 1.99 1.82 3i5yA1 GLU 593 HG2 0.02 -0.02 -0.41 -0.04 2.34 1.90 3i5yA1 GLU 593 HG3 0.02 -0.00 0.00 -0.04 2.34 2.33 3i5yA1 ILE 594 H 0.03 0.20 0.05 -0.55 8.25 7.99 3i5yA1 ILE 594 HA 0.01 0.28 0.70 -0.75 4.18 4.42 3i5yA1 ILE 594 HB 0.02 0.05 0.19 -0.04 1.89 2.11 3i5yA1 ILE 594 HG12 0.01 -0.04 -0.24 -0.04 1.49 1.17 3i5yA1 ILE 594 HG13 0.03 0.07 -0.13 -0.04 1.21 1.15 3i5yA1 ILE 594 HG23 0.00 -0.05 -0.03 -0.04 0.93 0.82 3i5yA1 ILE 594 HD13 0.01 -0.00 -0.03 -0.04 0.88 0.82 3i5yA1 ARG 595 H -0.01 0.41 0.23 -0.55 8.46 8.54 3i5yA1 ARG 595 HA 0.00 0.19 0.76 -0.75 4.34 4.54 3i5yA1 ARG 595 HB2 -0.00 0.01 -0.01 -0.04 1.90 1.86 3i5yA1 ARG 595 HB3 -0.01 -0.02 0.13 -0.04 1.80 1.85 3i5yA1 ARG 595 HG2 0.00 -0.01 0.06 -0.04 1.67 1.69 3i5yA1 ARG 595 HG3 0.00 0.02 0.07 -0.04 1.67 1.73 3i5yA1 ARG 595 HD2 0.01 0.02 -0.04 -0.04 3.22 3.17 3i5yA1 ARG 595 HD3 0.02 0.01 -0.03 -0.04 3.22 3.18 3i5yA1 ASP 596 H -0.00 0.11 -0.37 -0.55 8.40 7.60 3i5yA1 ASP 596 HA -0.01 0.20 0.41 -0.75 4.63 4.47