============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 53 rings ring int. center anis. iso. TRP 6 1.040 53.941 155.345 -10.299 -99.200 -91.000 TRP6 6 1.020 54.910 157.099 -11.554 -99.200 -91.000 HIS 23 0.900 48.292 137.738 -12.431 -99.200 -91.000 PHE 25 1.000 57.679 144.932 -11.035 -99.200 -91.000 TYR 27 0.840 62.760 145.533 -10.160 -99.200 -91.000 TRP 31 1.040 63.639 150.882 -8.692 -99.200 -91.000 TRP6 31 1.020 63.303 152.137 -6.734 -99.200 -91.000 TYR 36 0.840 65.554 158.045 -2.799 -99.200 -91.000 PHE 57 1.000 48.625 135.371 -8.662 -99.200 -91.000 PHE 59 1.000 55.715 142.597 -3.439 -99.200 -91.000 PHE 60 1.000 52.838 143.477 -7.548 -99.200 -91.000 TYR 78 0.840 36.053 150.622 -4.847 -99.200 -91.000 HIS 79 0.900 29.812 147.347 -11.174 -99.200 -91.000 PHE 86 1.000 46.444 144.292 -13.964 -99.200 -91.000 HIS 111 0.900 44.067 159.487 -8.603 -99.200 -91.000 TRP 116 1.040 43.357 166.031 6.091 -99.200 -91.000 TRP6 116 1.020 45.557 166.727 5.574 -99.200 -91.000 TYR 131 0.840 32.229 145.628 11.968 -99.200 -91.000 PHE 143 1.000 39.010 154.776 2.669 -99.200 -91.000 TRP 163 1.040 40.585 159.094 15.032 -99.200 -91.000 TRP6 163 1.020 42.353 157.540 14.717 -99.200 -91.000 HIS 174 0.900 47.273 156.736 13.772 -99.200 -91.000 TYR 189 0.840 45.123 150.028 25.233 -99.200 -91.000 TYR 190 0.840 47.184 142.551 29.361 -99.200 -91.000 PHE 221 1.000 55.529 148.056 11.746 -99.200 -91.000 TRP 225 1.040 54.047 163.362 9.719 -99.200 -91.000 TRP6 225 1.020 52.823 163.880 7.765 -99.200 -91.000 PHE 244 1.000 61.660 133.062 3.922 -99.200 -91.000 TYR 252 0.840 48.516 129.834 11.014 -99.200 -91.000 PHE 266 1.000 65.234 137.398 5.392 -99.200 -91.000 TYR 277 0.840 68.881 138.898 22.793 -99.200 -91.000 PHE 279 1.000 61.905 134.765 14.558 -99.200 -91.000 PHE 282 1.000 56.741 138.307 19.088 -99.200 -91.000 PHE 285 1.000 55.057 139.180 24.682 -99.200 -91.000 TRP 287 1.040 56.059 129.015 26.598 -99.200 -91.000 TRP6 287 1.020 57.254 129.457 28.556 -99.200 -91.000 HIS 295 0.900 49.763 134.643 10.382 -99.200 -91.000 PHE 299 1.000 57.397 136.741 13.360 -99.200 -91.000 PHE 302 1.000 61.025 149.029 8.925 -99.200 -91.000 TYR 309 0.840 67.662 141.108 4.789 -99.200 -91.000 PHE 314 1.000 59.284 140.745 17.134 -99.200 -91.000 TYR 315 0.840 53.412 142.984 11.800 -99.200 -91.000 PHE 321 1.000 47.343 132.330 28.083 -99.200 -91.000 HIS 330 0.900 41.090 124.079 30.394 -99.200 -91.000 TYR 354 0.840 57.388 122.290 31.999 -99.200 -91.000 HIS 357 0.900 60.051 121.131 25.649 -99.200 -91.000 PHE 358 1.000 60.876 129.049 24.365 -99.200 -91.000 PHE 367 1.000 69.860 133.529 20.378 -99.200 -91.000 HIS 373 0.900 71.639 129.177 29.896 -99.200 -91.000 PHE 379 1.000 60.644 137.381 28.047 -99.200 -91.000 PHE 397 1.000 41.565 146.048 28.934 -99.200 -91.000 HIS 413 0.900 57.611 134.707 35.992 -99.200 -91.000 TYR 420 0.840 67.000 130.411 33.058 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3hziA1 PRO 2 HA 0.06 -0.17 0.25 -0.51 4.44 4.08 3hziA1 PRO 2 HB2 0.09 0.07 -0.04 -0.04 2.28 2.36 3hziA1 PRO 2 HB3 0.06 -0.05 0.07 -0.04 2.02 2.05 3hziA1 PRO 2 HG2 0.13 0.04 0.05 -0.04 2.03 2.21 3hziA1 PRO 2 HG3 0.06 0.01 0.03 -0.04 2.03 2.09 3hziA1 PRO 2 HD2 0.16 -0.01 0.03 -0.04 3.68 3.82 3hziA1 PRO 2 HD3 0.07 -0.03 0.04 -0.04 3.65 3.70 3hziA1 LYS 3 H 0.05 -0.00 0.10 -0.55 8.42 8.01 3hziA1 LYS 3 HA 0.01 0.10 0.40 -0.75 4.32 4.09 3hziA1 LYS 3 HB2 0.04 -0.13 0.05 -0.04 1.87 1.79 3hziA1 LYS 3 HB3 0.00 0.07 0.03 -0.04 1.79 1.85 3hziA1 LYS 3 HG2 -0.04 0.03 0.02 -0.04 1.46 1.43 3hziA1 LYS 3 HG3 -0.00 -0.05 0.06 -0.04 1.46 1.42 3hziA1 LYS 3 HD2 -0.01 -0.03 -0.03 -0.04 1.69 1.58 3hziA1 LYS 3 HD3 -0.05 0.07 -0.05 -0.04 1.68 1.60 3hziA1 LYS 3 HE2 -0.04 0.01 -0.04 -0.04 2.99 2.89 3hziA1 LYS 3 HE3 -0.04 0.00 -0.04 -0.04 2.99 2.87 3hziA1 LEU 4 H 0.05 0.50 0.23 -0.55 8.37 8.60 3hziA1 LEU 4 HA 0.14 0.09 0.76 -0.75 4.35 4.59 3hziA1 LEU 4 HB2 0.64 0.02 -0.16 -0.04 1.64 2.10 3hziA1 LEU 4 HB3 0.20 -0.13 0.02 -0.04 1.64 1.68 3hziA1 LEU 4 HG 0.04 0.05 -0.14 -0.04 1.64 1.55 3hziA1 LEU 4 HD13 0.08 -0.00 -0.25 -0.04 0.93 0.72 3hziA1 LEU 4 HD23 0.09 0.09 -0.45 -0.04 0.89 0.59 3hziA1 VAL 5 H 0.17 0.74 0.22 -0.55 8.24 8.83 3hziA1 VAL 5 HA -0.04 0.08 0.98 -0.75 4.13 4.40 3hziA1 VAL 5 HB 0.65 0.09 0.07 -0.04 2.12 2.88 3hziA1 VAL 5 HG13 -0.55 0.02 0.05 -0.04 0.97 0.45 3hziA1 VAL 5 HG23 0.14 -0.01 -0.04 -0.04 0.95 0.99 3hziA1 THR 6 H -0.18 0.36 0.08 -0.55 8.28 7.99 3hziA1 THR 6 HA 0.19 0.48 1.02 -0.75 4.39 5.33 3hziA1 THR 6 HB 0.09 -0.18 0.00 -0.04 4.32 4.19 3hziA1 THR 6 HG23 0.08 0.01 -0.18 -0.04 1.22 1.09 3hziA1 TRP 7 H 0.45 0.75 0.31 -0.55 7.97 8.93 3hziA1 TRP 7 HA -0.09 0.10 0.73 -0.75 4.62 4.60 3hziA1 TRP 7 HB2 -0.01 0.11 -0.05 -0.04 3.23 3.24 3hziA1 TRP 7 HB3 -0.02 -0.19 -0.14 -0.04 3.23 2.84 3hziA1 TRP 7 HD1 0.01 0.29 -0.14 -0.04 7.22 7.33 3hziA1 TRP 7 HE1 0.01 0.05 -0.11 -0.04 10.20 10.11 3hziA1 TRP 7 HE3 0.01 -0.06 -0.29 -0.04 7.59 7.21 3hziA1 TRP 7 HZ2 0.00 0.03 -0.04 -0.04 7.44 7.40 3hziA1 TRP 7 HZ3 0.02 0.03 -0.04 -0.04 7.13 7.10 3hziA1 TRP 7 HH2 0.01 -0.02 -0.01 -0.04 7.19 7.13 3hziA1 MET 8 H 0.07 0.27 0.11 -0.55 8.47 8.37 3hziA1 MET 8 HA 0.05 0.46 0.88 -0.75 4.52 5.16 3hziA1 MET 8 HB2 -0.12 -0.02 0.09 -0.04 2.15 2.06 3hziA1 MET 8 HB3 0.02 0.08 -0.03 -0.04 2.03 2.05 3hziA1 MET 8 HG2 -0.02 0.14 -0.18 -0.04 2.63 2.53 3hziA1 MET 8 HG3 -0.19 -0.12 -0.37 -0.04 2.56 1.84 3hziA1 MET 8 HE3 0.07 0.01 -0.11 -0.04 2.10 2.03 3hziA1 ASN 9 H 0.04 0.37 0.14 -0.55 8.53 8.53 3hziA1 ASN 9 HA 0.03 0.10 0.35 -0.75 4.76 4.49 3hziA1 ASN 9 HB2 -0.02 0.07 -0.19 -0.04 2.88 2.70 3hziA1 ASN 9 HB3 -0.01 -0.04 0.19 -0.04 2.79 2.89 3hziA1 ASN 9 HD21 0.01 0.88 0.26 -0.04 7.03 8.15 3hziA1 ASN 9 HD22 0.02 -0.07 -0.05 -0.04 7.74 7.59 3hziA1 ASN 10 H 0.11 0.07 -0.38 -0.55 8.53 7.79 3hziA1 ASN 10 HA 0.17 -0.01 0.20 -0.75 4.76 4.36 3hziA1 ASN 10 HB2 0.06 0.27 -0.15 -0.04 2.88 3.01 3hziA1 ASN 10 HB3 0.09 -0.07 0.25 -0.04 2.79 3.02 3hziA1 ASN 10 HD21 -0.00 0.06 -0.07 -0.04 7.03 6.98 3hziA1 ASN 10 HD22 0.02 -0.01 -0.27 -0.04 7.74 7.44 3hziA1 GLN 11 H 0.23 0.01 -0.23 -0.55 8.47 7.94 3hziA1 GLN 11 HA 0.24 0.14 0.96 -0.75 4.36 4.95 3hziA1 GLN 11 HB2 0.12 0.33 0.06 -0.04 2.15 2.62 3hziA1 GLN 11 HB3 0.29 -0.05 0.01 -0.04 2.02 2.23 3hziA1 GLN 11 HG2 0.18 -0.03 0.08 -0.04 2.40 2.59 3hziA1 GLN 11 HG3 0.07 0.14 -0.21 -0.04 2.39 2.34 3hziA1 GLN 11 HE21 -0.38 -0.12 0.01 -0.04 6.97 6.43 3hziA1 GLN 11 HE22 -0.28 0.10 -0.02 -0.04 7.69 7.45 3hziA1 ARG 12 H -0.07 0.14 0.04 -0.55 8.46 8.02 3hziA1 ARG 12 HA -1.00 0.07 0.41 -0.75 4.34 3.07 3hziA1 ARG 12 HB2 -1.35 0.02 0.12 -0.04 1.90 0.66 3hziA1 ARG 12 HB3 -0.34 -0.05 0.16 -0.04 1.80 1.53 3hziA1 ARG 12 HG2 -0.38 -0.04 -0.25 -0.04 1.67 0.96 3hziA1 ARG 12 HG3 -0.84 0.09 0.07 -0.04 1.67 0.95 3hziA1 ARG 12 HD2 -0.39 0.02 0.01 -0.04 3.22 2.82 3hziA1 ARG 12 HD3 -0.21 -0.07 -0.01 -0.04 3.22 2.89 3hziA1 VAL 13 H -0.48 0.74 0.58 -0.55 8.24 8.53 3hziA1 VAL 13 HA -1.01 0.07 0.80 -0.75 4.13 3.24 3hziA1 VAL 13 HB -0.42 0.05 0.06 -0.04 2.12 1.77 3hziA1 VAL 13 HG13 -0.84 -0.03 -0.04 -0.04 0.97 0.02 3hziA1 VAL 13 HG23 -1.43 0.02 -0.02 -0.04 0.95 -0.52 3hziA1 GLY 14 H -0.34 0.28 0.29 -0.55 8.43 8.11 3hziA1 GLY 14 HA2 -0.24 0.01 0.20 -0.51 4.01 3.47 3hziA1 GLY 14 HA3 -0.39 0.15 0.60 -0.51 4.01 3.86 3hziA1 GLU 15 H -0.97 0.41 0.22 -0.55 8.60 7.71 3hziA1 GLU 15 HA -0.14 -0.03 0.61 -0.75 4.29 3.97 3hziA1 GLU 15 HB2 -0.11 0.10 0.03 -0.04 2.09 2.07 3hziA1 GLU 15 HB3 -0.20 0.17 0.16 -0.04 1.99 2.09 3hziA1 GLU 15 HG2 -0.25 -0.00 -0.13 -0.04 2.34 1.91 3hziA1 GLU 15 HG3 -0.20 -0.01 -0.09 -0.04 2.34 2.00 3hziA1 LEU 16 H -0.02 0.36 0.24 -0.55 8.37 8.40 3hziA1 LEU 16 HA -0.02 0.10 0.78 -0.75 4.35 4.46 3hziA1 LEU 16 HB2 -0.11 -0.03 0.03 -0.04 1.64 1.49 3hziA1 LEU 16 HB3 -0.03 0.03 0.06 -0.04 1.64 1.65 3hziA1 LEU 16 HG -0.20 -0.03 -0.30 -0.04 1.64 1.07 3hziA1 LEU 16 HD13 0.01 0.11 -0.09 -0.04 0.93 0.92 3hziA1 LEU 16 HD23 -0.40 -0.01 -0.15 -0.04 0.89 0.30 3hziA1 THR 17 H -0.12 0.97 0.43 -0.55 8.28 9.01 3hziA1 THR 17 HA -0.28 0.14 0.90 -0.75 4.39 4.39 3hziA1 THR 17 HB -0.13 -0.01 -0.00 -0.04 4.32 4.13 3hziA1 THR 17 HG23 -0.14 -0.02 -0.25 -0.04 1.22 0.77 3hziA1 LYS 18 H -0.50 0.26 0.02 -0.55 8.42 7.64 3hziA1 LYS 18 HA -0.43 0.21 0.84 -0.75 4.32 4.18 3hziA1 LYS 18 HB2 -1.03 -0.04 -0.10 -0.04 1.87 0.65 3hziA1 LYS 18 HB3 -0.65 0.05 0.09 -0.04 1.79 1.24 3hziA1 LYS 18 HG2 -0.26 0.24 -0.30 -0.04 1.46 1.10 3hziA1 LYS 18 HG3 -0.61 -0.03 -0.27 -0.04 1.46 0.50 3hziA1 LYS 18 HD2 -0.05 -0.01 -0.08 -0.04 1.69 1.50 3hziA1 LYS 18 HD3 0.05 -0.11 -0.10 -0.04 1.68 1.48 3hziA1 LYS 18 HE2 0.11 0.04 -0.04 -0.04 2.99 3.06 3hziA1 LYS 18 HE3 0.03 0.04 -0.05 -0.04 2.99 2.97 3hziA1 LEU 19 H -0.19 0.54 0.04 -0.55 8.37 8.21 3hziA1 LEU 19 HA -0.10 0.09 0.34 -0.75 4.35 3.92 3hziA1 LEU 19 HB2 -0.09 -0.15 -0.03 -0.04 1.64 1.33 3hziA1 LEU 19 HB3 -0.07 -0.12 0.14 -0.04 1.64 1.56 3hziA1 LEU 19 HG -0.11 0.23 0.03 -0.04 1.64 1.75 3hziA1 LEU 19 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.79 3hziA1 LEU 19 HD23 -0.07 -0.00 -0.08 -0.04 0.89 0.70 3hziA1 ALA 20 H -0.06 0.11 0.14 -0.55 8.40 8.05 3hziA1 ALA 20 HA -0.04 0.20 0.52 -0.75 4.34 4.27 3hziA1 ALA 20 HB3 -0.03 0.01 0.11 -0.04 1.41 1.46 3hziA1 ASN 21 H -0.05 0.05 -0.03 -0.55 8.53 7.96 3hziA1 ASN 21 HA -0.03 0.17 0.39 -0.75 4.76 4.54 3hziA1 ASN 21 HB2 -0.03 0.06 0.15 -0.04 2.88 3.02 3hziA1 ASN 21 HB3 -0.03 -0.01 0.10 -0.04 2.79 2.81 3hziA1 ASN 21 HD21 -0.03 0.02 -0.01 -0.04 7.03 6.97 3hziA1 ASN 21 HD22 -0.02 0.03 0.02 -0.04 7.74 7.73 3hziA1 GLY 22 H -0.07 0.42 -1.40 -0.55 8.43 6.83 3hziA1 GLY 22 HA2 -0.13 0.12 0.11 -0.51 4.01 3.59 3hziA1 GLY 22 HA3 -0.06 0.03 0.23 -0.51 4.01 3.70 3hziA1 ALA 23 H -0.11 -0.08 -0.68 -0.55 8.40 6.99 3hziA1 ALA 23 HA -0.04 0.12 0.57 -0.75 4.34 4.23 3hziA1 ALA 23 HB3 -0.04 0.01 -0.04 -0.04 1.41 1.29 3hziA1 HIS 24 H 0.17 0.15 0.17 -0.55 8.41 8.36 3hziA1 HIS 24 HA -0.08 0.19 0.73 -0.75 4.63 4.72 3hziA1 HIS 24 HB2 0.17 -0.08 0.14 -0.04 3.26 3.44 3hziA1 HIS 24 HB3 0.15 0.05 -0.07 -0.04 3.20 3.29 3hziA1 HIS 24 HD2 0.16 0.03 -0.09 -0.04 6.97 7.03 3hziA1 HIS 24 HE1 -0.04 0.03 0.03 -0.04 7.75 7.72 3hziA1 THR 25 H -0.05 0.94 0.48 -0.55 8.28 9.10 3hziA1 THR 25 HA 0.09 0.24 1.03 -0.75 4.39 5.00 3hziA1 THR 25 HB 0.01 0.07 0.12 -0.04 4.32 4.48 3hziA1 THR 25 HG23 -0.01 -0.01 -0.18 -0.04 1.22 0.99 3hziA1 PHE 26 H 0.12 0.46 0.31 -0.55 8.34 8.69 3hziA1 PHE 26 HA -0.08 0.21 0.90 -0.75 4.62 4.90 3hziA1 PHE 26 HB2 0.07 0.03 -0.21 -0.04 3.15 3.00 3hziA1 PHE 26 HB3 -0.03 -0.05 -0.02 -0.04 3.06 2.92 3hziA1 PHE 26 HD2 -0.18 -0.03 -0.31 -0.04 7.28 6.72 3hziA1 PHE 26 HE2 -0.82 -0.01 -0.23 -0.04 7.38 6.29 3hziA1 PHE 26 HZ -0.37 0.00 -0.21 -0.04 7.32 6.70 3hziA1 LYS 27 H -1.00 0.43 0.28 -0.55 8.42 7.58 3hziA1 LYS 27 HA -0.12 0.16 1.02 -0.75 4.32 4.62 3hziA1 LYS 27 HB2 -0.12 -0.13 0.03 -0.04 1.87 1.62 3hziA1 LYS 27 HB3 -0.25 -0.04 0.12 -0.04 1.79 1.58 3hziA1 LYS 27 HG2 -0.10 0.33 -0.03 -0.04 1.46 1.62 3hziA1 LYS 27 HG3 -0.02 0.30 0.23 -0.04 1.46 1.93 3hziA1 LYS 27 HD2 -0.03 -0.13 -0.16 -0.04 1.69 1.33 3hziA1 LYS 27 HD3 -0.07 -0.12 -0.03 -0.04 1.68 1.42 3hziA1 LYS 27 HE2 -0.03 0.00 0.04 -0.04 2.99 2.97 3hziA1 LYS 27 HE3 0.01 0.24 0.09 -0.04 2.99 3.29 3hziA1 TYR 28 H 0.11 0.26 0.18 -0.55 8.29 8.29 3hziA1 TYR 28 HA -0.04 0.14 0.72 -0.75 4.56 4.63 3hziA1 TYR 28 HB2 0.12 0.11 0.11 -0.04 3.06 3.37 3hziA1 TYR 28 HB3 0.23 -0.04 0.14 -0.04 2.98 3.26 3hziA1 TYR 28 HD2 0.21 0.17 0.08 -0.04 7.15 7.57 3hziA1 TYR 28 HE2 0.14 0.09 -0.19 -0.04 6.85 6.85 3hziA1 ALA 29 H 0.30 0.40 0.22 -0.55 8.40 8.76 3hziA1 ALA 29 HA -0.00 0.24 0.81 -0.75 4.34 4.63 3hziA1 ALA 29 HB3 0.02 -0.02 -0.05 -0.04 1.41 1.31 3hziA1 PRO 30 HA 0.06 0.09 0.29 -0.51 4.44 4.37 3hziA1 PRO 30 HB2 0.02 -0.01 0.02 -0.04 2.28 2.28 3hziA1 PRO 30 HB3 0.02 0.04 0.06 -0.04 2.02 2.11 3hziA1 PRO 30 HG2 0.01 0.02 0.07 -0.04 2.03 2.09 3hziA1 PRO 30 HG3 0.03 0.10 0.06 -0.04 2.03 2.18 3hziA1 PRO 30 HD2 0.01 0.05 0.19 -0.04 3.68 3.88 3hziA1 PRO 30 HD3 0.01 0.36 0.21 -0.04 3.65 4.19 3hziA1 GLU 31 H 0.06 0.03 -0.53 -0.55 8.60 7.61 3hziA1 GLU 31 HA 0.04 0.10 0.35 -0.75 4.29 4.03 3hziA1 GLU 31 HB2 0.07 0.03 -0.02 -0.04 2.09 2.13 3hziA1 GLU 31 HB3 0.04 -0.01 0.03 -0.04 1.99 2.01 3hziA1 GLU 31 HG2 0.07 -0.17 -0.01 -0.04 2.34 2.19 3hziA1 GLU 31 HG3 0.09 0.13 -0.01 -0.04 2.34 2.51 3hziA1 TRP 32 H 0.26 0.15 0.01 -0.55 7.97 7.84 3hziA1 TRP 32 HA 0.03 -0.00 0.51 -0.75 4.62 4.40 3hziA1 TRP 32 HB2 0.01 0.33 0.31 -0.04 3.23 3.85 3hziA1 TRP 32 HB3 0.05 -0.00 0.27 -0.04 3.23 3.51 3hziA1 TRP 32 HD1 0.09 -0.03 -0.09 -0.04 7.22 7.16 3hziA1 TRP 32 HE1 -0.00 0.08 -0.02 -0.04 10.20 10.22 3hziA1 TRP 32 HE3 0.06 0.01 -0.04 -0.04 7.59 7.58 3hziA1 TRP 32 HZ2 0.07 0.33 0.01 -0.04 7.44 7.81 3hziA1 TRP 32 HZ3 0.06 0.00 -0.10 -0.04 7.13 7.06 3hziA1 TRP 32 HH2 0.10 0.10 -0.19 -0.04 7.19 7.15 3hziA1 LEU 33 H 0.15 0.47 -0.34 -0.55 8.37 8.10 3hziA1 LEU 33 HA -0.19 0.02 0.36 -0.75 4.35 3.79 3hziA1 LEU 33 HB2 0.10 0.01 -0.07 -0.04 1.64 1.64 3hziA1 LEU 33 HB3 0.01 0.12 -0.06 -0.04 1.64 1.67 3hziA1 LEU 33 HG -0.09 -0.05 -0.04 -0.04 1.64 1.41 3hziA1 LEU 33 HD13 0.06 -0.03 -0.24 -0.04 0.93 0.68 3hziA1 LEU 33 HD23 -0.06 0.00 -0.00 -0.04 0.89 0.79 3hziA1 ALA 34 H -0.12 0.09 -1.00 -0.55 8.40 6.83 3hziA1 ALA 34 HA -0.13 0.14 0.74 -0.75 4.34 4.35 3hziA1 ALA 34 HB3 -0.04 0.00 0.01 -0.04 1.41 1.33 3hziA1 SER 35 H -0.29 0.30 0.07 -0.55 8.46 7.99 3hziA1 SER 35 HA -0.06 0.08 0.58 -0.75 4.49 4.33 3hziA1 SER 35 HB2 0.03 0.05 0.16 -0.04 3.95 4.14 3hziA1 SER 35 HB3 -0.54 0.17 0.25 -0.04 3.93 3.78 3hziA1 ARG 36 H -0.05 0.12 0.20 -0.55 8.46 8.17 3hziA1 ARG 36 HA -0.18 0.12 0.45 -0.75 4.34 3.98 3hziA1 ARG 36 HB2 -0.46 -0.04 0.11 -0.04 1.90 1.48 3hziA1 ARG 36 HB3 -0.33 0.03 0.06 -0.04 1.80 1.52 3hziA1 ARG 36 HG2 -0.12 0.01 0.07 -0.04 1.67 1.59 3hziA1 ARG 36 HG3 -0.08 0.02 0.13 -0.04 1.67 1.69 3hziA1 ARG 36 HD2 -0.06 0.02 0.06 -0.04 3.22 3.19 3hziA1 ARG 36 HD3 -0.01 0.00 0.05 -0.04 3.22 3.23 3hziA1 TYR 37 H 0.01 -0.01 -0.11 -0.55 8.29 7.62 3hziA1 TYR 37 HA -0.09 0.10 0.46 -0.75 4.56 4.28 3hziA1 TYR 37 HB2 -0.01 -0.03 -0.01 -0.04 3.06 2.97 3hziA1 TYR 37 HB3 0.13 0.07 -0.01 -0.04 2.98 3.13 3hziA1 TYR 37 HD2 0.06 -0.02 0.02 -0.04 7.15 7.18 3hziA1 TYR 37 HE2 0.05 -0.01 -0.00 -0.04 6.85 6.85 3hziA1 ALA 38 H -0.55 0.03 -0.53 -0.55 8.40 6.79 3hziA1 ALA 38 HA -1.94 -0.03 0.31 -0.75 4.34 1.93 3hziA1 ALA 38 HB3 -0.54 -0.00 0.01 -0.04 1.41 0.83 3hziA1 ARG 39 H -0.02 0.28 0.14 -0.55 8.46 8.31 3hziA1 ARG 39 HA 0.01 -0.02 0.38 -0.75 4.34 3.96 3hziA1 ARG 39 HB2 0.13 0.08 0.08 -0.04 1.90 2.14 3hziA1 ARG 39 HB3 0.08 0.05 0.03 -0.04 1.80 1.91 3hziA1 ARG 39 HG2 0.55 -0.14 -0.17 -0.04 1.67 1.87 3hziA1 ARG 39 HG3 0.29 0.11 -0.35 -0.04 1.67 1.68 3hziA1 ARG 39 HD2 0.25 -0.03 -0.17 -0.04 3.22 3.23 3hziA1 ARG 39 HD3 0.17 0.10 -0.60 -0.04 3.22 2.86 3hziA1 PRO 40 HA 0.18 0.02 0.49 -0.51 4.44 4.62 3hziA1 PRO 40 HB2 0.07 0.10 -0.28 -0.04 2.28 2.13 3hziA1 PRO 40 HB3 0.05 -0.13 0.07 -0.04 2.02 1.96 3hziA1 PRO 40 HG2 0.09 0.02 -0.18 -0.04 2.03 1.91 3hziA1 PRO 40 HG3 0.06 0.11 -0.08 -0.04 2.03 2.08 3hziA1 PRO 40 HD2 0.09 0.14 0.14 -0.04 3.68 4.01 3hziA1 PRO 40 HD3 0.04 0.12 0.08 -0.04 3.65 3.84 3hziA1 LEU 41 H 0.25 0.18 0.14 -0.55 8.37 8.39 3hziA1 LEU 41 HA -0.02 0.11 0.33 -0.75 4.35 4.01 3hziA1 LEU 41 HB2 -0.19 -0.01 0.06 -0.04 1.64 1.46 3hziA1 LEU 41 HB3 -0.59 -0.01 -0.03 -0.04 1.64 0.98 3hziA1 LEU 41 HG -1.05 0.00 -0.12 -0.04 1.64 0.43 3hziA1 LEU 41 HD13 -0.11 0.01 -0.01 -0.04 0.93 0.78 3hziA1 LEU 41 HD23 -0.64 -0.01 -0.11 -0.04 0.89 0.09 3hziA1 SER 42 H -0.07 0.15 -0.39 -0.55 8.46 7.61 3hziA1 SER 42 HA 0.02 0.16 0.41 -0.75 4.49 4.33 3hziA1 SER 42 HB2 -0.42 0.20 -0.26 -0.04 3.95 3.42 3hziA1 SER 42 HB3 -0.39 -0.03 -0.21 -0.04 3.93 3.26 3hziA1 LEU 43 H -0.02 0.21 -0.05 -0.55 8.37 7.96 3hziA1 LEU 43 HA 0.00 0.09 0.19 -0.75 4.35 3.88 3hziA1 LEU 43 HB2 -0.13 -0.09 0.00 -0.04 1.64 1.39 3hziA1 LEU 43 HB3 -0.07 0.06 -0.03 -0.04 1.64 1.56 3hziA1 LEU 43 HG -0.01 -0.02 -0.10 -0.04 1.64 1.47 3hziA1 LEU 43 HD13 -0.32 0.01 -0.14 -0.04 0.93 0.45 3hziA1 LEU 43 HD23 0.03 0.04 -0.02 -0.04 0.89 0.91 3hziA1 SER 44 H -0.04 -0.14 -0.97 -0.55 8.46 6.76 3hziA1 SER 44 HA -0.01 0.18 0.62 -0.75 4.49 4.53 3hziA1 SER 44 HB2 0.00 -0.12 0.04 -0.04 3.95 3.84 3hziA1 SER 44 HB3 -0.04 0.48 0.00 -0.04 3.93 4.33 3hziA1 LEU 45 H -0.04 0.91 -0.32 -0.55 8.37 8.36 3hziA1 LEU 45 HA 0.02 0.11 0.60 -0.75 4.35 4.32 3hziA1 LEU 45 HB2 -0.22 -0.11 0.06 -0.04 1.64 1.32 3hziA1 LEU 45 HB3 -0.10 -0.03 -0.02 -0.04 1.64 1.46 3hziA1 LEU 45 HG -0.22 -0.03 -0.49 -0.04 1.64 0.86 3hziA1 LEU 45 HD13 -0.48 -0.00 -0.16 -0.04 0.93 0.25 3hziA1 LEU 45 HD23 -0.02 0.11 -0.20 -0.04 0.89 0.74 3hziA1 PRO 46 HA 0.06 -0.00 0.48 -0.51 4.44 4.47 3hziA1 PRO 46 HB2 0.04 0.08 -0.03 -0.04 2.28 2.32 3hziA1 PRO 46 HB3 0.04 0.10 0.03 -0.04 2.02 2.15 3hziA1 PRO 46 HG2 0.06 -0.03 -0.05 -0.04 2.03 1.98 3hziA1 PRO 46 HG3 0.05 0.05 -0.02 -0.04 2.03 2.06 3hziA1 PRO 46 HD2 0.06 0.03 -0.06 -0.04 3.68 3.68 3hziA1 PRO 46 HD3 0.04 0.23 -0.26 -0.04 3.65 3.62 3hziA1 LEU 47 H -0.06 0.09 0.12 -0.55 8.37 7.97 3hziA1 LEU 47 HA -0.55 0.00 0.36 -0.75 4.35 3.41 3hziA1 LEU 47 HB2 -0.13 0.01 0.04 -0.04 1.64 1.52 3hziA1 LEU 47 HB3 -0.26 0.02 -0.03 -0.04 1.64 1.33 3hziA1 LEU 47 HG -0.15 -0.05 -0.01 -0.04 1.64 1.39 3hziA1 LEU 47 HD13 -0.15 0.01 -0.15 -0.04 0.93 0.60 3hziA1 LEU 47 HD23 -0.53 0.01 -0.16 -0.04 0.89 0.18 3hziA1 GLN 48 H 0.13 0.32 0.24 -0.55 8.47 8.61 3hziA1 GLN 48 HA 0.04 0.07 0.49 -0.75 4.36 4.20 3hziA1 GLN 48 HB2 0.07 -0.14 0.05 -0.04 2.15 2.09 3hziA1 GLN 48 HB3 0.08 0.19 -0.22 -0.04 2.02 2.03 3hziA1 GLN 48 HG2 0.23 0.04 -0.10 -0.04 2.40 2.54 3hziA1 GLN 48 HG3 0.13 -0.14 -0.42 -0.04 2.39 1.92 3hziA1 GLN 48 HE21 0.09 -0.09 -0.09 -0.04 6.97 6.84 3hziA1 GLN 48 HE22 0.14 0.59 -0.14 -0.04 7.69 8.24 3hziA1 ARG 49 H 0.05 0.11 0.11 -0.55 8.46 8.17 3hziA1 ARG 49 HA 0.08 0.14 0.36 -0.75 4.34 4.16 3hziA1 ARG 49 HB2 0.03 -0.05 0.15 -0.04 1.90 1.99 3hziA1 ARG 49 HB3 0.03 0.02 -0.01 -0.04 1.80 1.80 3hziA1 ARG 49 HG2 0.03 0.04 0.00 -0.04 1.67 1.70 3hziA1 ARG 49 HG3 0.02 -0.02 0.03 -0.04 1.67 1.66 3hziA1 ARG 49 HD2 0.01 0.03 -0.00 -0.04 3.22 3.22 3hziA1 ARG 49 HD3 0.01 -0.02 0.02 -0.04 3.22 3.19 3hziA1 GLY 50 H 0.06 -0.01 -0.08 -0.55 8.43 7.86 3hziA1 GLY 50 HA2 0.03 0.08 0.25 -0.51 4.01 3.85 3hziA1 GLY 50 HA3 0.04 -0.05 0.38 -0.51 4.01 3.87 3hziA1 ASN 51 H 0.02 0.12 0.16 -0.55 8.53 8.28 3hziA1 ASN 51 HA -0.00 0.22 0.87 -0.75 4.76 5.08 3hziA1 ASN 51 HB2 0.01 -0.06 0.01 -0.04 2.88 2.79 3hziA1 ASN 51 HB3 -0.01 0.05 -0.04 -0.04 2.79 2.75 3hziA1 ASN 51 HD21 -0.02 0.01 -0.03 -0.04 7.03 6.94 3hziA1 ASN 51 HD22 -0.01 -0.03 0.00 -0.04 7.74 7.67 3hziA1 ILE 52 H 0.08 0.98 0.41 -0.55 8.25 9.17 3hziA1 ILE 52 HA 0.07 0.06 0.70 -0.75 4.18 4.26 3hziA1 ILE 52 HB 0.12 -0.06 0.12 -0.04 1.89 2.03 3hziA1 ILE 52 HG12 0.16 0.29 0.11 -0.04 1.49 2.01 3hziA1 ILE 52 HG13 0.14 -0.00 -0.08 -0.04 1.21 1.23 3hziA1 ILE 52 HG23 0.07 -0.05 0.04 -0.04 0.93 0.95 3hziA1 ILE 52 HD13 0.16 -0.00 -0.25 -0.04 0.88 0.75 3hziA1 THR 53 H 0.05 0.10 0.19 -0.55 8.28 8.07 3hziA1 THR 53 HA 0.05 0.29 0.94 -0.75 4.39 4.92 3hziA1 THR 53 HB 0.02 -0.01 0.13 -0.04 4.32 4.42 3hziA1 THR 53 HG23 0.02 0.01 -0.28 -0.04 1.22 0.93 3hziA1 SER 54 H 0.06 0.03 0.09 -0.55 8.46 8.10 3hziA1 SER 54 HA 0.05 0.15 0.55 -0.75 4.49 4.49 3hziA1 SER 54 HB2 0.05 -0.03 0.15 -0.04 3.95 4.08 3hziA1 SER 54 HB3 0.05 0.07 0.14 -0.04 3.93 4.15 3hziA1 ASP 55 H 0.06 0.22 0.21 -0.55 8.40 8.34 3hziA1 ASP 55 HA 0.12 0.09 0.42 -0.75 4.63 4.51 3hziA1 ASP 55 HB2 0.08 0.08 0.13 -0.04 2.71 2.96 3hziA1 ASP 55 HB3 0.12 -0.00 0.08 -0.04 2.70 2.86 3hziA1 ALA 56 H 0.07 0.05 -0.26 -0.55 8.40 7.72 3hziA1 ALA 56 HA 0.07 0.12 0.24 -0.75 4.34 4.01 3hziA1 ALA 56 HB3 0.04 0.04 0.03 -0.04 1.41 1.48 3hziA1 VAL 57 H 0.11 0.45 -0.70 -0.55 8.24 7.56 3hziA1 VAL 57 HA 0.06 0.06 0.30 -0.75 4.13 3.80 3hziA1 VAL 57 HB 0.20 0.14 -0.04 -0.04 2.12 2.37 3hziA1 VAL 57 HG13 0.27 -0.04 -0.33 -0.04 0.97 0.83 3hziA1 VAL 57 HG23 0.10 0.01 -0.13 -0.04 0.95 0.89 3hziA1 PHE 58 H 0.30 0.24 0.01 -0.55 8.34 8.33 3hziA1 PHE 58 HA 0.07 0.03 0.44 -0.75 4.62 4.40 3hziA1 PHE 58 HB2 0.01 0.02 0.16 -0.04 3.15 3.30 3hziA1 PHE 58 HB3 0.01 0.04 0.19 -0.04 3.06 3.26 3hziA1 PHE 58 HD2 -0.43 -0.00 -0.02 -0.04 7.28 6.79 3hziA1 PHE 58 HE2 -0.34 -0.03 -0.00 -0.04 7.38 6.96 3hziA1 PHE 58 HZ -0.07 0.02 0.02 -0.04 7.32 7.25 3hziA1 ASN 59 H 0.17 0.64 -0.11 -0.55 8.53 8.68 3hziA1 ASN 59 HA -0.11 -0.07 0.23 -0.75 4.76 4.05 3hziA1 ASN 59 HB2 0.05 0.10 -0.20 -0.04 2.88 2.79 3hziA1 ASN 59 HB3 0.01 0.10 -0.48 -0.04 2.79 2.38 3hziA1 ASN 59 HD21 0.08 -0.07 -0.12 -0.04 7.03 6.88 3hziA1 ASN 59 HD22 0.05 0.04 -0.49 -0.04 7.74 7.29 3hziA1 PHE 60 H 0.10 0.46 -0.45 -0.55 8.34 7.90 3hziA1 PHE 60 HA -0.19 -0.03 0.28 -0.75 4.62 3.93 3hziA1 PHE 60 HB2 -0.23 0.03 0.01 -0.04 3.15 2.92 3hziA1 PHE 60 HB3 -0.38 0.12 0.02 -0.04 3.06 2.78 3hziA1 PHE 60 HD2 -0.95 -0.03 -0.29 -0.04 7.28 5.97 3hziA1 PHE 60 HE2 -0.46 0.02 -0.07 -0.04 7.38 6.83 3hziA1 PHE 60 HZ -0.24 0.06 -0.01 -0.04 7.32 7.09 3hziA1 PHE 61 H 0.17 0.37 -0.26 -0.55 8.34 8.05 3hziA1 PHE 61 HA -0.05 0.14 0.53 -0.75 4.62 4.49 3hziA1 PHE 61 HB2 0.01 0.06 0.08 -0.04 3.15 3.26 3hziA1 PHE 61 HB3 0.03 -0.05 -0.09 -0.04 3.06 2.91 3hziA1 PHE 61 HD2 0.11 0.16 -0.06 -0.04 7.28 7.46 3hziA1 PHE 61 HE2 -0.02 -0.02 -0.13 -0.04 7.38 7.17 3hziA1 PHE 61 HZ -0.09 -0.05 -0.13 -0.04 7.32 7.01 3hziA1 ASP 62 H -0.25 0.70 -0.06 -0.55 8.40 8.24 3hziA1 ASP 62 HA -0.22 0.04 0.49 -0.75 4.63 4.18 3hziA1 ASP 62 HB2 -0.97 -0.05 0.04 -0.04 2.71 1.68 3hziA1 ASP 62 HB3 -0.42 0.03 0.06 -0.04 2.70 2.32 3hziA1 ASN 63 H -0.21 0.53 -0.26 -0.55 8.53 8.05 3hziA1 ASN 63 HA -0.13 0.01 0.41 -0.75 4.76 4.30 3hziA1 ASN 63 HB2 -0.24 0.27 0.10 -0.04 2.88 2.98 3hziA1 ASN 63 HB3 -0.22 -0.07 0.09 -0.04 2.79 2.54 3hziA1 ASN 63 HD21 -0.06 -0.10 -0.05 -0.04 7.03 6.77 3hziA1 ASN 63 HD22 -0.11 0.27 -0.08 -0.04 7.74 7.78 3hziA1 LEU 64 H -0.14 0.26 -1.10 -0.55 8.37 6.83 3hziA1 LEU 64 HA -0.16 0.04 0.65 -0.75 4.35 4.12 3hziA1 LEU 64 HB2 -0.03 0.35 0.06 -0.04 1.64 1.97 3hziA1 LEU 64 HB3 -0.03 -0.04 -0.04 -0.04 1.64 1.49 3hziA1 LEU 64 HG -0.44 0.09 -0.06 -0.04 1.64 1.19 3hziA1 LEU 64 HD13 0.14 -0.02 -0.04 -0.04 0.93 0.96 3hziA1 LEU 64 HD23 -0.16 -0.02 0.00 -0.04 0.89 0.68 3hziA1 LEU 65 H -0.08 0.41 -0.10 -0.55 8.37 8.05 3hziA1 LEU 65 HA -0.04 0.20 0.76 -0.75 4.35 4.52 3hziA1 LEU 65 HB2 -0.05 0.05 0.07 -0.04 1.64 1.67 3hziA1 LEU 65 HB3 -0.03 0.00 0.05 -0.04 1.64 1.62 3hziA1 LEU 65 HG -0.02 -0.01 -0.18 -0.04 1.64 1.39 3hziA1 LEU 65 HD13 -0.02 -0.02 -0.01 -0.04 0.93 0.84 3hziA1 LEU 65 HD23 -0.02 0.01 -0.15 -0.04 0.89 0.68 3hziA1 PRO 66 HA -0.02 -0.03 0.49 -0.51 4.44 4.37 3hziA1 PRO 66 HB2 -0.01 -0.08 0.03 -0.04 2.28 2.19 3hziA1 PRO 66 HB3 -0.00 0.00 0.06 -0.04 2.02 2.04 3hziA1 PRO 66 HG2 -0.00 0.01 0.05 -0.04 2.03 2.04 3hziA1 PRO 66 HG3 -0.01 0.28 0.15 -0.04 2.03 2.41 3hziA1 PRO 66 HD2 -0.02 0.04 0.16 -0.04 3.68 3.82 3hziA1 PRO 66 HD3 -0.02 0.22 0.22 -0.04 3.65 4.02 3hziA1 ASP 67 H -0.02 0.51 0.37 -0.55 8.40 8.71 3hziA1 ASP 67 HA -0.03 0.10 0.43 -0.75 4.63 4.37 3hziA1 ASP 67 HB2 -0.02 0.03 0.02 -0.04 2.71 2.69 3hziA1 ASP 67 HB3 -0.03 -0.07 0.05 -0.04 2.70 2.61 3hziA1 SER 68 H -0.01 0.13 -0.11 -0.55 8.46 7.93 3hziA1 SER 68 HA -0.00 0.25 0.86 -0.75 4.49 4.85 3hziA1 SER 68 HB2 0.00 0.10 0.12 -0.04 3.95 4.13 3hziA1 SER 68 HB3 0.00 0.03 0.18 -0.04 3.93 4.10 3hziA1 PRO 69 HA 0.01 0.11 0.42 -0.51 4.44 4.47 3hziA1 PRO 69 HB2 0.01 0.01 0.05 -0.04 2.28 2.31 3hziA1 PRO 69 HB3 0.01 0.04 0.12 -0.04 2.02 2.15 3hziA1 PRO 69 HG2 0.01 0.03 0.10 -0.04 2.03 2.14 3hziA1 PRO 69 HG3 0.01 0.09 0.09 -0.04 2.03 2.18 3hziA1 PRO 69 HD2 0.00 0.06 0.25 -0.04 3.68 3.96 3hziA1 PRO 69 HD3 0.00 0.41 0.41 -0.04 3.65 4.44 3hziA1 ILE 70 H 0.01 0.05 -0.46 -0.55 8.25 7.31 3hziA1 ILE 70 HA 0.01 0.17 0.62 -0.75 4.18 4.23 3hziA1 ILE 70 HB 0.01 0.00 -0.00 -0.04 1.89 1.86 3hziA1 ILE 70 HG12 0.01 0.05 -0.01 -0.04 1.49 1.50 3hziA1 ILE 70 HG13 0.01 0.02 -0.06 -0.04 1.21 1.14 3hziA1 ILE 70 HG23 0.01 0.02 -0.06 -0.04 0.93 0.86 3hziA1 ILE 70 HD13 0.01 -0.03 0.00 -0.04 0.88 0.82 3hziA1 VAL 71 H 0.01 0.17 -0.10 -0.55 8.24 7.77 3hziA1 VAL 71 HA 0.02 0.11 0.46 -0.75 4.13 3.97 3hziA1 VAL 71 HB 0.01 0.13 0.03 -0.04 2.12 2.24 3hziA1 VAL 71 HG13 0.02 0.01 0.00 -0.04 0.97 0.96 3hziA1 VAL 71 HG23 0.01 -0.02 0.06 -0.04 0.95 0.96 3hziA1 ARG 72 H 0.01 0.37 -0.15 -0.55 8.46 8.14 3hziA1 ARG 72 HA 0.01 0.10 0.36 -0.75 4.34 4.06 3hziA1 ARG 72 HB2 0.02 0.03 0.07 -0.04 1.90 1.97 3hziA1 ARG 72 HB3 0.02 0.01 0.03 -0.04 1.80 1.82 3hziA1 ARG 72 HG2 0.00 0.08 -0.03 -0.04 1.67 1.68 3hziA1 ARG 72 HG3 0.01 0.13 -0.08 -0.04 1.67 1.69 3hziA1 ARG 72 HD2 0.01 -0.04 -0.11 -0.04 3.22 3.04 3hziA1 ARG 72 HD3 0.02 -0.06 0.01 -0.04 3.22 3.15 3hziA1 ASP 73 H 0.02 0.26 -0.35 -0.55 8.40 7.77 3hziA1 ASP 73 HA 0.02 0.00 0.33 -0.75 4.63 4.23 3hziA1 ASP 73 HB2 0.01 0.09 0.15 -0.04 2.71 2.93 3hziA1 ASP 73 HB3 0.01 0.10 -0.02 -0.04 2.70 2.74 3hziA1 ARG 74 H 0.02 0.14 -0.60 -0.55 8.46 7.46 3hziA1 ARG 74 HA 0.03 0.02 0.34 -0.75 4.34 3.97 3hziA1 ARG 74 HB2 0.03 0.15 0.27 -0.04 1.90 2.31 3hziA1 ARG 74 HB3 0.04 -0.04 -0.00 -0.04 1.80 1.75 3hziA1 ARG 74 HG2 0.02 -0.02 0.00 -0.04 1.67 1.64 3hziA1 ARG 74 HG3 0.02 0.12 -0.00 -0.04 1.67 1.77 3hziA1 ARG 74 HD2 0.03 -0.08 -0.07 -0.04 3.22 3.06 3hziA1 ARG 74 HD3 0.04 -0.02 -0.17 -0.04 3.22 3.02 3hziA1 ILE 75 H 0.03 0.43 -0.26 -0.55 8.25 7.90 3hziA1 ILE 75 HA 0.10 0.07 0.54 -0.75 4.18 4.13 3hziA1 ILE 75 HB 0.01 0.02 0.10 -0.04 1.89 1.97 3hziA1 ILE 75 HG12 0.02 0.28 0.29 -0.04 1.49 2.04 3hziA1 ILE 75 HG13 -0.00 -0.09 0.04 -0.04 1.21 1.12 3hziA1 ILE 75 HG23 -0.04 -0.01 0.04 -0.04 0.93 0.87 3hziA1 ILE 75 HD13 0.03 -0.05 -0.07 -0.04 0.88 0.74 3hziA1 VAL 76 H 0.04 0.36 -0.03 -0.55 8.24 8.06 3hziA1 VAL 76 HA 0.07 0.05 0.38 -0.75 4.13 3.87 3hziA1 VAL 76 HB 0.01 0.04 -0.01 -0.04 2.12 2.12 3hziA1 VAL 76 HG13 -0.00 -0.05 0.07 -0.04 0.97 0.95 3hziA1 VAL 76 HG23 0.02 0.04 -0.07 -0.04 0.95 0.90 3hziA1 LYS 77 H 0.08 0.10 -1.30 -0.55 8.42 6.75 3hziA1 LYS 77 HA 0.02 -0.03 0.35 -0.75 4.32 3.90 3hziA1 LYS 77 HB2 0.04 0.01 0.12 -0.04 1.87 1.99 3hziA1 LYS 77 HB3 0.07 0.10 0.27 -0.04 1.79 2.19 3hziA1 LYS 77 HG2 0.03 -0.01 -0.20 -0.04 1.46 1.24 3hziA1 LYS 77 HG3 0.02 -0.10 0.01 -0.04 1.46 1.34 3hziA1 LYS 77 HD2 0.02 0.04 0.17 -0.04 1.69 1.88 3hziA1 LYS 77 HD3 0.03 0.03 0.21 -0.04 1.68 1.91 3hziA1 LYS 77 HE2 0.00 -0.06 0.01 -0.04 2.99 2.90 3hziA1 LYS 77 HE3 0.00 -0.10 0.02 -0.04 2.99 2.88 3hziA1 ARG 78 H 0.08 0.00 0.11 -0.55 8.46 8.10 3hziA1 ARG 78 HA -0.02 -0.03 0.36 -0.75 4.34 3.90 3hziA1 ARG 78 HB2 -0.22 -0.00 0.18 -0.04 1.90 1.82 3hziA1 ARG 78 HB3 -0.35 -0.02 0.02 -0.04 1.80 1.41 3hziA1 ARG 78 HG2 -0.06 0.03 0.04 -0.04 1.67 1.64 3hziA1 ARG 78 HG3 -0.04 -0.08 0.08 -0.04 1.67 1.59 3hziA1 ARG 78 HD2 0.04 0.04 0.20 -0.04 3.22 3.45 3hziA1 ARG 78 HD3 0.07 0.00 0.30 -0.04 3.22 3.55 3hziA1 TYR 79 H 0.40 0.22 -0.03 -0.55 8.29 8.32 3hziA1 TYR 79 HA 0.06 0.02 0.55 -0.75 4.56 4.44 3hziA1 TYR 79 HB2 0.04 -0.02 0.05 -0.04 3.06 3.08 3hziA1 TYR 79 HB3 0.03 -0.01 -0.03 -0.04 2.98 2.92 3hziA1 TYR 79 HD2 0.03 0.07 0.07 -0.04 7.15 7.27 3hziA1 TYR 79 HE2 0.04 0.01 0.03 -0.04 6.85 6.89 3hziA1 HIS 80 H 0.23 0.11 0.12 -0.55 8.41 8.32 3hziA1 HIS 80 HA 0.05 0.25 0.43 -0.75 4.63 4.60 3hziA1 HIS 80 HB2 0.03 -0.07 0.20 -0.04 3.26 3.38 3hziA1 HIS 80 HB3 0.03 -0.06 0.12 -0.04 3.20 3.24 3hziA1 HIS 80 HD2 0.01 -0.09 0.03 -0.04 6.97 6.87 3hziA1 HIS 80 HE1 -0.00 -0.01 0.03 -0.04 7.75 7.73 3hziA1 ALA 81 H 0.09 0.56 0.32 -0.55 8.40 8.82 3hziA1 ALA 81 HA 0.04 0.04 0.45 -0.75 4.34 4.12 3hziA1 ALA 81 HB3 0.02 -0.00 0.03 -0.04 1.41 1.42 3hziA1 LYS 82 H 0.02 0.13 0.14 -0.55 8.42 8.15 3hziA1 LYS 82 HA 0.03 0.13 0.39 -0.75 4.32 4.12 3hziA1 LYS 82 HB2 0.03 -0.03 0.12 -0.04 1.87 1.95 3hziA1 LYS 82 HB3 0.04 -0.04 0.12 -0.04 1.79 1.87 3hziA1 LYS 82 HG2 0.03 0.08 0.05 -0.04 1.46 1.57 3hziA1 LYS 82 HG3 0.04 -0.01 0.05 -0.04 1.46 1.49 3hziA1 LYS 82 HD2 0.03 -0.05 0.06 -0.04 1.69 1.69 3hziA1 LYS 82 HD3 0.03 0.05 0.05 -0.04 1.68 1.77 3hziA1 LYS 82 HE2 0.03 -0.03 0.01 -0.04 2.99 2.96 3hziA1 LYS 82 HE3 0.04 0.07 -0.01 -0.04 2.99 3.05 3hziA1 SER 83 H 0.02 0.18 -0.62 -0.55 8.46 7.50 3hziA1 SER 83 HA 0.02 0.14 0.30 -0.75 4.49 4.19 3hziA1 SER 83 HB2 0.04 0.24 0.27 -0.04 3.95 4.46 3hziA1 SER 83 HB3 0.06 -0.05 -0.44 -0.04 3.93 3.47 3hziA1 ARG 84 H 0.04 0.18 0.10 -0.55 8.46 8.23 3hziA1 ARG 84 HA 0.03 0.23 0.63 -0.75 4.34 4.47 3hziA1 ARG 84 HB2 0.04 -0.03 0.03 -0.04 1.90 1.89 3hziA1 ARG 84 HB3 0.03 0.01 0.06 -0.04 1.80 1.86 3hziA1 ARG 84 HG2 0.02 0.11 -0.28 -0.04 1.67 1.48 3hziA1 ARG 84 HG3 0.02 0.01 -0.11 -0.04 1.67 1.54 3hziA1 ARG 84 HD2 0.02 -0.02 -0.04 -0.04 3.22 3.14 3hziA1 ARG 84 HD3 0.02 0.01 -0.03 -0.04 3.22 3.18 3hziA1 GLN 85 H 0.08 -0.07 -0.30 -0.55 8.47 7.63 3hziA1 GLN 85 HA 0.16 0.13 0.37 -0.75 4.36 4.27 3hziA1 GLN 85 HB2 0.12 -0.02 0.00 -0.04 2.15 2.21 3hziA1 GLN 85 HB3 0.22 -0.11 -0.14 -0.04 2.02 1.95 3hziA1 GLN 85 HG2 0.14 0.01 0.02 -0.04 2.40 2.53 3hziA1 GLN 85 HG3 0.13 0.04 -0.01 -0.04 2.39 2.51 3hziA1 GLN 85 HE21 1.10 0.01 -0.05 -0.04 6.97 7.99 3hziA1 GLN 85 HE22 0.43 -0.15 -0.23 -0.04 7.69 7.71 3hziA1 PRO 86 HA 0.04 0.14 0.28 -0.51 4.44 4.39 3hziA1 PRO 86 HB2 0.13 -0.12 0.06 -0.04 2.28 2.31 3hziA1 PRO 86 HB3 -0.10 0.11 -0.06 -0.04 2.02 1.93 3hziA1 PRO 86 HG2 -0.23 0.01 0.06 -0.04 2.03 1.82 3hziA1 PRO 86 HG3 -0.08 0.12 0.10 -0.04 2.03 2.13 3hziA1 PRO 86 HD2 0.40 0.05 0.12 -0.04 3.68 4.21 3hziA1 PRO 86 HD3 0.22 0.15 0.21 -0.04 3.65 4.20 3hziA1 PHE 87 H 0.49 0.08 -0.21 -0.55 8.34 8.15 3hziA1 PHE 87 HA 0.05 0.07 0.15 -0.75 4.62 4.14 3hziA1 PHE 87 HB2 0.25 -0.02 -0.04 -0.04 3.15 3.30 3hziA1 PHE 87 HB3 0.13 -0.07 -0.06 -0.04 3.06 3.02 3hziA1 PHE 87 HD2 -0.02 -0.04 -0.14 -0.04 7.28 7.05 3hziA1 PHE 87 HE2 -0.03 0.02 -0.12 -0.04 7.38 7.21 3hziA1 PHE 87 HZ -0.02 0.54 -0.04 -0.04 7.32 7.77 3hziA1 ASP 88 H 0.13 0.06 -0.36 -0.55 8.40 7.68 3hziA1 ASP 88 HA -0.29 0.06 0.32 -0.75 4.63 3.96 3hziA1 ASP 88 HB2 0.03 0.14 -0.03 -0.04 2.71 2.81 3hziA1 ASP 88 HB3 -0.02 -0.10 0.01 -0.04 2.70 2.54 3hziA1 LEU 89 H -0.01 0.39 -0.14 -0.55 8.37 8.06 3hziA1 LEU 89 HA -0.07 0.01 0.37 -0.75 4.35 3.91 3hziA1 LEU 89 HB2 -0.02 0.09 -0.00 -0.04 1.64 1.66 3hziA1 LEU 89 HB3 -0.05 -0.01 -0.02 -0.04 1.64 1.52 3hziA1 LEU 89 HG 0.01 0.03 -0.14 -0.04 1.64 1.50 3hziA1 LEU 89 HD13 0.01 -0.02 -0.05 -0.04 0.93 0.82 3hziA1 LEU 89 HD23 -0.01 -0.02 0.02 -0.04 0.89 0.84 3hziA1 LEU 90 H -0.04 0.64 -0.28 -0.55 8.37 8.14 3hziA1 LEU 90 HA -0.03 0.02 0.16 -0.75 4.35 3.74 3hziA1 LEU 90 HB2 -0.03 0.13 -0.05 -0.04 1.64 1.66 3hziA1 LEU 90 HB3 0.00 -0.05 -0.13 -0.04 1.64 1.42 3hziA1 LEU 90 HG 0.03 0.03 -0.14 -0.04 1.64 1.51 3hziA1 LEU 90 HD13 0.09 -0.07 -0.45 -0.04 0.93 0.47 3hziA1 LEU 90 HD23 0.11 0.03 -0.11 -0.04 0.89 0.88 3hziA1 SER 91 H -0.23 0.42 -0.44 -0.55 8.46 7.67 3hziA1 SER 91 HA -0.15 0.02 0.40 -0.75 4.49 4.01 3hziA1 SER 91 HB2 -0.29 0.14 0.14 -0.04 3.95 3.90 3hziA1 SER 91 HB3 -0.24 -0.10 0.04 -0.04 3.93 3.58 3hziA1 GLU 92 H -0.13 0.33 -0.25 -0.55 8.60 8.01 3hziA1 GLU 92 HA -0.07 0.06 0.59 -0.75 4.29 4.11 3hziA1 GLU 92 HB2 -0.19 -0.02 0.27 -0.04 2.09 2.11 3hziA1 GLU 92 HB3 -0.23 -0.03 0.02 -0.04 1.99 1.70 3hziA1 GLU 92 HG2 -0.08 0.18 -0.02 -0.04 2.34 2.37 3hziA1 GLU 92 HG3 -0.03 -0.08 -0.10 -0.04 2.34 2.09 3hziA1 ILE 93 H -0.20 0.40 0.13 -0.55 8.25 8.03 3hziA1 ILE 93 HA -0.20 0.08 0.60 -0.75 4.18 3.92 3hziA1 ILE 93 HB -0.13 0.10 0.01 -0.04 1.89 1.83 3hziA1 ILE 93 HG12 -0.13 -0.06 -0.01 -0.04 1.49 1.24 3hziA1 ILE 93 HG13 -0.14 0.13 -0.05 -0.04 1.21 1.10 3hziA1 ILE 93 HG23 -0.58 -0.00 0.03 -0.04 0.93 0.34 3hziA1 ILE 93 HD13 -0.06 0.01 -0.27 -0.04 0.88 0.52 3hziA1 GLY 94 H -0.09 0.23 -0.93 -0.55 8.43 7.09 3hziA1 GLY 94 HA2 -0.02 -0.07 0.21 -0.51 4.01 3.62 3hziA1 GLY 94 HA3 -0.02 0.47 0.36 -0.51 4.01 4.30 3hziA1 ARG 95 H -0.07 0.21 -0.37 -0.55 8.46 7.68 3hziA1 ARG 95 HA -0.02 0.03 0.73 -0.75 4.34 4.33 3hziA1 ARG 95 HB2 -0.11 0.10 0.09 -0.04 1.90 1.93 3hziA1 ARG 95 HB3 -0.08 -0.09 -0.02 -0.04 1.80 1.57 3hziA1 ARG 95 HG2 -0.04 0.07 -0.21 -0.04 1.67 1.44 3hziA1 ARG 95 HG3 -0.09 0.07 -0.00 -0.04 1.67 1.60 3hziA1 ARG 95 HD2 -0.07 -0.08 -0.07 -0.04 3.22 2.96 3hziA1 ARG 95 HD3 -0.05 0.05 -0.01 -0.04 3.22 3.17 3hziA1 ASP 96 H -0.09 0.45 0.14 -0.55 8.40 8.36 3hziA1 ASP 96 HA -0.05 0.30 0.96 -0.75 4.63 5.09 3hziA1 ASP 96 HB2 -0.10 0.10 -0.09 -0.04 2.71 2.57 3hziA1 ASP 96 HB3 -0.12 -0.12 0.21 -0.04 2.70 2.63 3hziA1 SER 97 H -0.01 0.35 -0.19 -0.55 8.46 8.06 3hziA1 SER 97 HA -0.04 0.11 0.56 -0.75 4.49 4.36 3hziA1 SER 97 HB2 -0.01 -0.02 -0.00 -0.04 3.95 3.88 3hziA1 SER 97 HB3 0.01 0.17 0.07 -0.04 3.93 4.14 3hziA1 VAL 98 H -0.07 0.03 0.08 -0.55 8.24 7.73 3hziA1 VAL 98 HA -0.09 0.13 0.48 -0.75 4.13 3.90 3hziA1 VAL 98 HB -0.11 -0.02 0.02 -0.04 2.12 1.97 3hziA1 VAL 98 HG13 -0.14 -0.00 0.02 -0.04 0.97 0.81 3hziA1 VAL 98 HG23 -0.09 0.01 0.06 -0.04 0.95 0.88 3hziA1 GLY 99 H -0.07 0.06 0.08 -0.55 8.43 7.96 3hziA1 GLY 99 HA2 0.03 0.09 0.36 -0.51 4.01 3.99 3hziA1 GLY 99 HA3 0.01 -0.02 0.50 -0.51 4.01 3.99 3hziA1 ALA 100 H 0.04 -0.10 0.27 -0.55 8.40 8.06 3hziA1 ALA 100 HA 0.01 0.19 0.37 -0.75 4.34 4.16 3hziA1 ALA 100 HB3 0.04 -0.05 -0.30 -0.04 1.41 1.05 3hziA1 VAL 101 H 0.05 0.03 0.19 -0.55 8.24 7.96 3hziA1 VAL 101 HA 0.07 0.06 0.56 -0.75 4.13 4.07 3hziA1 VAL 101 HB 0.19 -0.02 -0.04 -0.04 2.12 2.21 3hziA1 VAL 101 HG13 0.13 -0.03 0.03 -0.04 0.97 1.06 3hziA1 VAL 101 HG23 0.07 0.03 0.05 -0.04 0.95 1.06 3hziA1 THR 102 H 0.14 0.21 0.30 -0.55 8.28 8.38 3hziA1 THR 102 HA 0.08 0.39 1.01 -0.75 4.39 5.11 3hziA1 THR 102 HB 0.18 -0.23 0.18 -0.04 4.32 4.41 3hziA1 THR 102 HG23 0.02 0.04 -0.06 -0.04 1.22 1.18 3hziA1 LEU 103 H 0.09 0.65 0.17 -0.55 8.37 8.74 3hziA1 LEU 103 HA 0.20 0.32 1.01 -0.75 4.35 5.12 3hziA1 LEU 103 HB2 0.06 0.19 0.13 -0.04 1.64 1.97 3hziA1 LEU 103 HB3 0.08 -0.09 -0.11 -0.04 1.64 1.47 3hziA1 LEU 103 HG 0.19 -0.05 -0.20 -0.04 1.64 1.54 3hziA1 LEU 103 HD13 0.17 -0.00 -0.09 -0.04 0.93 0.96 3hziA1 LEU 103 HD23 0.22 -0.01 -0.19 -0.04 0.89 0.87 3hziA1 ILE 104 H 0.24 0.41 0.24 -0.55 8.25 8.58 3hziA1 ILE 104 HA 0.06 0.27 0.86 -0.75 4.18 4.62 3hziA1 ILE 104 HB 0.17 -0.16 0.02 -0.04 1.89 1.88 3hziA1 ILE 104 HG12 0.02 -0.06 -0.31 -0.04 1.49 1.09 3hziA1 ILE 104 HG13 -0.21 -0.01 -0.09 -0.04 1.21 0.85 3hziA1 ILE 104 HG23 0.01 0.06 -0.05 -0.04 0.93 0.91 3hziA1 ILE 104 HD13 0.02 0.11 -0.31 -0.04 0.88 0.66 3hziA1 PRO 105 HA 0.09 0.11 0.54 -0.51 4.44 4.66 3hziA1 PRO 105 HB2 0.04 0.00 -0.11 -0.04 2.28 2.17 3hziA1 PRO 105 HB3 0.04 -0.01 0.02 -0.04 2.02 2.03 3hziA1 PRO 105 HG2 0.01 0.05 0.07 -0.04 2.03 2.12 3hziA1 PRO 105 HG3 -0.02 0.05 0.07 -0.04 2.03 2.08 3hziA1 PRO 105 HD2 0.05 0.11 0.20 -0.04 3.68 4.00 3hziA1 PRO 105 HD3 0.02 0.32 0.18 -0.04 3.65 4.13 3hziA1 GLU 106 H 0.10 0.37 -0.09 -0.55 8.60 8.43 3hziA1 GLU 106 HA 0.13 0.07 0.29 -0.75 4.29 4.03 3hziA1 GLU 106 HB2 0.06 -0.01 -0.07 -0.04 2.09 2.03 3hziA1 GLU 106 HB3 0.06 -0.06 0.04 -0.04 1.99 1.99 3hziA1 GLU 106 HG2 0.05 0.01 -0.40 -0.04 2.34 1.96 3hziA1 GLU 106 HG3 0.05 0.01 -0.06 -0.04 2.34 2.31 3hziA1 ASP 107 H 0.06 0.11 -0.23 -0.55 8.40 7.79 3hziA1 ASP 107 HA 0.04 0.03 0.40 -0.75 4.63 4.34 3hziA1 ASP 107 HB2 0.03 0.01 0.17 -0.04 2.71 2.88 3hziA1 ASP 107 HB3 0.03 -0.05 0.08 -0.04 2.70 2.72 3hziA1 GLU 108 H 0.04 0.55 -0.35 -0.55 8.60 8.30 3hziA1 GLU 108 HA -0.01 -0.12 0.30 -0.75 4.29 3.72 3hziA1 GLU 108 HB2 0.02 0.34 -0.09 -0.04 2.09 2.32 3hziA1 GLU 108 HB3 0.03 0.14 -0.14 -0.04 1.99 1.98 3hziA1 GLU 108 HG2 0.00 0.04 -0.07 -0.04 2.34 2.27 3hziA1 GLU 108 HG3 -0.02 -0.13 0.01 -0.04 2.34 2.16 3hziA1 THR 109 H -0.01 0.05 0.10 -0.55 8.28 7.86 3hziA1 THR 109 HA -0.05 0.11 0.35 -0.75 4.39 4.05 3hziA1 THR 109 HB -0.06 -0.14 0.13 -0.04 4.32 4.21 3hziA1 THR 109 HG23 -0.08 -0.00 -0.12 -0.04 1.22 0.97 3hziA1 VAL 110 H -0.11 -0.03 -0.11 -0.55 8.24 7.44 3hziA1 VAL 110 HA -0.21 -0.06 0.26 -0.75 4.13 3.37 3hziA1 VAL 110 HB -0.52 0.19 -0.05 -0.04 2.12 1.69 3hziA1 VAL 110 HG13 -0.65 -0.01 -0.10 -0.04 0.97 0.17 3hziA1 VAL 110 HG23 -0.11 -0.03 -0.10 -0.04 0.95 0.67 3hziA1 THR 111 H -0.16 0.01 -0.10 -0.55 8.28 7.48 3hziA1 THR 111 HA -0.18 0.15 0.40 -0.75 4.39 4.01 3hziA1 THR 111 HB -0.09 -0.07 0.15 -0.04 4.32 4.27 3hziA1 THR 111 HG23 -0.07 0.02 0.03 -0.04 1.22 1.15 3hziA1 HIS 112 H -0.24 0.82 0.35 -0.55 8.41 8.79 3hziA1 HIS 112 HA -0.04 -0.02 0.23 -0.75 4.63 4.04 3hziA1 HIS 112 HB2 -0.07 -0.00 0.07 -0.04 3.26 3.22 3hziA1 HIS 112 HB3 -0.04 -0.08 0.11 -0.04 3.20 3.15 3hziA1 HIS 112 HD2 -0.02 -0.06 0.02 -0.04 6.97 6.86 3hziA1 HIS 112 HE1 -0.03 0.04 0.02 -0.04 7.75 7.73 3hziA1 PRO 113 HA 0.01 -0.05 0.41 -0.51 4.44 4.30 3hziA1 PRO 113 HB2 0.03 0.15 -0.21 -0.04 2.28 2.21 3hziA1 PRO 113 HB3 0.01 -0.04 -0.04 -0.04 2.02 1.91 3hziA1 PRO 113 HG2 0.03 0.05 -0.02 -0.04 2.03 2.04 3hziA1 PRO 113 HG3 0.02 0.03 0.03 -0.04 2.03 2.07 3hziA1 PRO 113 HD2 0.09 0.07 0.18 -0.04 3.68 3.98 3hziA1 PRO 113 HD3 0.12 0.12 0.15 -0.04 3.65 4.00 3hziA1 ILE 114 H 0.01 0.07 0.17 -0.55 8.25 7.96 3hziA1 ILE 114 HA 0.03 0.13 0.39 -0.75 4.18 3.97 3hziA1 ILE 114 HB 0.03 -0.10 0.12 -0.04 1.89 1.90 3hziA1 ILE 114 HG12 -0.00 0.06 0.10 -0.04 1.49 1.60 3hziA1 ILE 114 HG13 0.00 -0.06 0.03 -0.04 1.21 1.15 3hziA1 ILE 114 HG23 0.05 0.00 -0.10 -0.04 0.93 0.85 3hziA1 ILE 114 HD13 -0.02 0.01 -0.02 -0.04 0.88 0.81 3hziA1 MET 115 H 0.06 -0.01 -0.14 -0.55 8.47 7.83 3hziA1 MET 115 HA 0.25 0.27 0.69 -0.75 4.52 4.98 3hziA1 MET 115 HB2 0.15 -0.09 0.09 -0.04 2.15 2.26 3hziA1 MET 115 HB3 0.45 0.01 0.15 -0.04 2.03 2.60 3hziA1 MET 115 HG2 0.17 0.00 -0.40 -0.04 2.63 2.36 3hziA1 MET 115 HG3 0.23 0.06 0.01 -0.04 2.56 2.82 3hziA1 MET 115 HE3 0.11 -0.01 0.16 -0.04 2.10 2.33 3hziA1 ALA 116 H 0.14 0.39 -0.07 -0.55 8.40 8.31 3hziA1 ALA 116 HA -0.36 0.17 0.91 -0.75 4.34 4.31 3hziA1 ALA 116 HB3 -0.05 -0.00 -0.04 -0.04 1.41 1.28 3hziA1 TRP 117 H -0.36 0.16 0.07 -0.55 7.97 7.30 3hziA1 TRP 117 HA 0.04 0.27 0.43 -0.75 4.62 4.61 3hziA1 TRP 117 HB2 0.06 -0.02 -0.35 -0.04 3.23 2.89 3hziA1 TRP 117 HB3 0.05 0.22 -0.24 -0.04 3.23 3.22 3hziA1 TRP 117 HD1 0.04 -0.10 -0.31 -0.04 7.22 6.82 3hziA1 TRP 117 HE1 0.02 -0.03 -0.05 -0.04 10.20 10.10 3hziA1 TRP 117 HE3 0.07 0.11 -0.63 -0.04 7.59 7.10 3hziA1 TRP 117 HZ2 0.01 -0.04 -0.04 -0.04 7.44 7.33 3hziA1 TRP 117 HZ3 0.10 0.04 -0.12 -0.04 7.13 7.11 3hziA1 TRP 117 HH2 0.03 0.01 -0.02 -0.04 7.19 7.16 3hziA1 GLU 118 H 0.21 0.49 0.07 -0.55 8.60 8.83 3hziA1 GLU 118 HA 0.08 0.08 0.81 -0.75 4.29 4.51 3hziA1 GLU 118 HB2 0.07 0.00 0.05 -0.04 2.09 2.17 3hziA1 GLU 118 HB3 0.12 0.06 0.17 -0.04 1.99 2.30 3hziA1 GLU 118 HG2 0.08 0.12 -0.21 -0.04 2.34 2.29 3hziA1 GLU 118 HG3 0.05 -0.04 0.00 -0.04 2.34 2.31 3hziA1 LYS 119 H 0.20 0.17 0.09 -0.55 8.42 8.33 3hziA1 LYS 119 HA 0.22 -0.06 0.26 -0.75 4.32 3.98 3hziA1 LYS 119 HB2 0.21 0.03 0.09 -0.04 1.87 2.15 3hziA1 LYS 119 HB3 0.12 -0.02 0.03 -0.04 1.79 1.87 3hziA1 LYS 119 HG2 0.13 0.05 -0.09 -0.04 1.46 1.51 3hziA1 LYS 119 HG3 0.14 -0.02 -0.06 -0.04 1.46 1.48 3hziA1 LYS 119 HD2 0.08 0.00 -0.04 -0.04 1.69 1.70 3hziA1 LYS 119 HD3 0.09 -0.03 -0.04 -0.04 1.68 1.67 3hziA1 LYS 119 HE2 0.08 -0.07 -0.23 -0.04 2.99 2.73 3hziA1 LYS 119 HE3 0.09 0.35 -0.18 -0.04 2.99 3.20 3hziA1 LEU 120 H 0.16 0.21 0.09 -0.55 8.37 8.29 3hziA1 LEU 120 HA 0.09 0.08 0.61 -0.75 4.35 4.37 3hziA1 LEU 120 HB2 0.16 0.20 0.18 -0.04 1.64 2.14 3hziA1 LEU 120 HB3 0.09 -0.11 -0.04 -0.04 1.64 1.54 3hziA1 LEU 120 HG 0.15 -0.08 0.14 -0.04 1.64 1.82 3hziA1 LEU 120 HD13 0.14 0.09 -0.05 -0.04 0.93 1.06 3hziA1 LEU 120 HD23 0.06 -0.01 -0.06 -0.04 0.89 0.84 3hziA1 THR 121 H 0.05 0.08 0.22 -0.55 8.28 8.09 3hziA1 THR 121 HA 0.05 0.21 0.65 -0.75 4.39 4.55 3hziA1 THR 121 HB 0.03 0.00 0.15 -0.04 4.32 4.46 3hziA1 THR 121 HG23 0.04 0.07 0.05 -0.04 1.22 1.34 3hziA1 GLU 122 H 0.04 0.22 0.16 -0.55 8.60 8.47 3hziA1 GLU 122 HA 0.04 0.13 0.31 -0.75 4.29 4.02 3hziA1 GLU 122 HB2 0.02 -0.01 0.02 -0.04 2.09 2.08 3hziA1 GLU 122 HB3 0.02 0.06 0.12 -0.04 1.99 2.16 3hziA1 GLU 122 HG2 0.03 0.05 0.07 -0.04 2.34 2.45 3hziA1 GLU 122 HG3 0.05 0.07 0.11 -0.04 2.34 2.52 3hziA1 ALA 123 H 0.02 -0.06 -0.59 -0.55 8.40 7.22 3hziA1 ALA 123 HA -0.00 0.17 0.63 -0.75 4.34 4.38 3hziA1 ALA 123 HB3 0.00 0.01 0.02 -0.04 1.41 1.40 3hziA1 ARG 124 H 0.01 -0.03 0.03 -0.55 8.46 7.92 3hziA1 ARG 124 HA -0.01 0.07 0.36 -0.75 4.34 4.01 3hziA1 ARG 124 HB2 0.04 -0.24 0.31 -0.04 1.90 1.96 3hziA1 ARG 124 HB3 0.03 0.15 0.05 -0.04 1.80 1.99 3hziA1 ARG 124 HG2 0.01 0.10 0.09 -0.04 1.67 1.83 3hziA1 ARG 124 HG3 0.02 -0.06 0.13 -0.04 1.67 1.71 3hziA1 ARG 124 HD2 0.04 -0.13 0.16 -0.04 3.22 3.25 3hziA1 ARG 124 HD3 0.05 0.13 0.09 -0.04 3.22 3.45 3hziA1 LEU 125 H 0.02 0.53 -0.46 -0.55 8.37 7.91 3hziA1 LEU 125 HA -0.01 0.09 0.32 -0.75 4.35 3.99 3hziA1 LEU 125 HB2 0.04 -0.00 -0.08 -0.04 1.64 1.55 3hziA1 LEU 125 HB3 -0.01 0.06 -0.05 -0.04 1.64 1.59 3hziA1 LEU 125 HG -0.13 0.02 -0.28 -0.04 1.64 1.21 3hziA1 LEU 125 HD13 -0.19 0.01 -0.05 -0.04 0.93 0.65 3hziA1 LEU 125 HD23 -0.09 -0.01 -0.08 -0.04 0.89 0.67 3hziA1 GLU 126 H -0.02 0.21 -0.25 -0.55 8.60 7.99 3hziA1 GLU 126 HA -0.04 0.03 0.26 -0.75 4.29 3.78 3hziA1 GLU 126 HB2 -0.03 0.00 0.13 -0.04 2.09 2.15 3hziA1 GLU 126 HB3 -0.03 0.03 0.09 -0.04 1.99 2.04 3hziA1 GLU 126 HG2 -0.03 -0.02 -0.15 -0.04 2.34 2.10 3hziA1 GLU 126 HG3 -0.03 0.08 -0.01 -0.04 2.34 2.34 3hziA1 GLU 127 H -0.03 0.44 -0.41 -0.55 8.60 8.05 3hziA1 GLU 127 HA -0.05 -0.01 0.28 -0.75 4.29 3.75 3hziA1 GLU 127 HB2 -0.03 0.10 0.19 -0.04 2.09 2.31 3hziA1 GLU 127 HB3 -0.05 0.05 -0.00 -0.04 1.99 1.96 3hziA1 GLU 127 HG2 -0.03 -0.05 -0.13 -0.04 2.34 2.09 3hziA1 GLU 127 HG3 -0.02 -0.07 -0.07 -0.04 2.34 2.13 3hziA1 VAL 128 H -0.05 0.51 0.04 -0.55 8.24 8.18 3hziA1 VAL 128 HA -0.08 0.07 0.37 -0.75 4.13 3.74 3hziA1 VAL 128 HB -0.06 0.03 0.08 -0.04 2.12 2.13 3hziA1 VAL 128 HG13 -0.11 0.05 0.00 -0.04 0.97 0.87 3hziA1 VAL 128 HG23 -0.10 0.06 0.15 -0.04 0.95 1.01 3hziA1 LEU 129 H -0.04 0.39 -0.59 -0.55 8.37 7.59 3hziA1 LEU 129 HA 0.04 0.04 0.33 -0.75 4.35 4.01 3hziA1 LEU 129 HB2 -0.03 0.06 -0.02 -0.04 1.64 1.61 3hziA1 LEU 129 HB3 0.00 -0.09 0.02 -0.04 1.64 1.53 3hziA1 LEU 129 HG -0.09 0.23 -0.07 -0.04 1.64 1.66 3hziA1 LEU 129 HD13 -0.16 -0.05 -0.26 -0.04 0.93 0.42 3hziA1 LEU 129 HD23 -0.11 -0.01 -0.19 -0.04 0.89 0.53 3hziA1 THR 130 H -0.05 0.36 -0.71 -0.55 8.28 7.33 3hziA1 THR 130 HA -0.60 0.11 0.75 -0.75 4.39 3.89 3hziA1 THR 130 HB -0.29 -0.14 0.17 -0.04 4.32 4.02 3hziA1 THR 130 HG23 -0.07 -0.01 -0.22 -0.04 1.22 0.88 3hziA1 ALA 131 H -0.04 0.43 0.02 -0.55 8.40 8.26 3hziA1 ALA 131 HA -0.11 0.00 0.42 -0.75 4.34 3.90 3hziA1 ALA 131 HB3 -0.03 0.02 0.11 -0.04 1.41 1.46 3hziA1 TYR 132 H -0.15 0.07 -0.53 -0.55 8.29 7.13 3hziA1 TYR 132 HA -0.01 0.12 0.39 -0.75 4.56 4.31 3hziA1 TYR 132 HB2 -0.01 0.00 0.02 -0.04 3.06 3.03 3hziA1 TYR 132 HB3 -0.02 -0.04 -0.01 -0.04 2.98 2.87 3hziA1 TYR 132 HD2 -0.02 -0.02 -0.23 -0.04 7.15 6.84 3hziA1 TYR 132 HE2 -0.03 0.27 -0.07 -0.04 6.85 6.98 3hziA1 LYS 133 H -0.61 0.46 -0.31 -0.55 8.42 7.42 3hziA1 LYS 133 HA -0.13 0.06 0.54 -0.75 4.32 4.04 3hziA1 LYS 133 HB2 -0.29 0.16 0.15 -0.04 1.87 1.85 3hziA1 LYS 133 HB3 -0.16 -0.07 0.05 -0.04 1.79 1.56 3hziA1 LYS 133 HG2 -0.25 -0.02 0.06 -0.04 1.46 1.21 3hziA1 LYS 133 HG3 -0.94 -0.03 0.10 -0.04 1.46 0.55 3hziA1 LYS 133 HD2 -0.22 0.02 0.07 -0.04 1.69 1.52 3hziA1 LYS 133 HD3 -0.13 -0.06 0.04 -0.04 1.68 1.49 3hziA1 LYS 133 HE2 -0.04 -0.02 0.06 -0.04 2.99 2.95 3hziA1 LYS 133 HE3 -0.13 0.05 0.08 -0.04 2.99 2.95 3hziA1 ALA 134 H -0.13 0.12 -0.31 -0.55 8.40 7.53 3hziA1 ALA 134 HA -0.05 0.12 0.63 -0.75 4.34 4.29 3hziA1 ALA 134 HB3 -0.05 0.01 0.12 -0.04 1.41 1.44 3hziA1 ASP 135 H -0.02 0.09 0.02 -0.55 8.40 7.94 3hziA1 ASP 135 HA 0.01 0.18 0.60 -0.75 4.63 4.67 3hziA1 ASP 135 HB2 -0.01 -0.07 0.03 -0.04 2.71 2.62 3hziA1 ASP 135 HB3 0.01 0.02 0.22 -0.04 2.70 2.91 3hziA1 ILE 136 H -0.00 0.50 0.00 -0.55 8.25 8.20 3hziA1 ILE 136 HA 0.02 0.24 0.90 -0.75 4.18 4.58 3hziA1 ILE 136 HB -0.03 -0.02 0.24 -0.04 1.89 2.04 3hziA1 ILE 136 HG12 -0.02 0.12 -0.04 -0.04 1.49 1.51 3hziA1 ILE 136 HG13 -0.02 -0.24 -0.25 -0.04 1.21 0.65 3hziA1 ILE 136 HG23 -0.03 0.00 -0.07 -0.04 0.93 0.80 3hziA1 ILE 136 HD13 -0.04 -0.02 0.01 -0.04 0.88 0.78 3hziA1 PRO 137 HA 0.05 -0.01 0.55 -0.51 4.44 4.52 3hziA1 PRO 137 HB2 0.04 0.04 -0.04 -0.04 2.28 2.28 3hziA1 PRO 137 HB3 0.04 -0.03 0.02 -0.04 2.02 2.01 3hziA1 PRO 137 HG2 0.08 0.06 -0.02 -0.04 2.03 2.11 3hziA1 PRO 137 HG3 0.06 -0.01 -0.63 -0.04 2.03 1.42 3hziA1 PRO 137 HD2 0.06 0.12 0.23 -0.04 3.68 4.04 3hziA1 PRO 137 HD3 0.04 0.16 -0.08 -0.04 3.65 3.73 3hziA1 LEU 138 H 0.04 0.09 0.16 -0.55 8.37 8.12 3hziA1 LEU 138 HA 0.04 0.28 0.46 -0.75 4.35 4.37 3hziA1 LEU 138 HB2 0.08 0.23 -0.01 -0.04 1.64 1.90 3hziA1 LEU 138 HB3 0.12 -0.03 0.22 -0.04 1.64 1.90 3hziA1 LEU 138 HG 0.04 -0.12 -0.13 -0.04 1.64 1.38 3hziA1 LEU 138 HD13 0.04 0.03 0.02 -0.04 0.93 0.97 3hziA1 LEU 138 HD23 0.04 0.01 0.01 -0.04 0.89 0.91 3hziA1 GLY 139 H 0.02 0.04 -0.43 -0.55 8.43 7.52 3hziA1 GLY 139 HA2 -0.04 -0.05 0.18 -0.51 4.01 3.59 3hziA1 GLY 139 HA3 -0.07 0.05 0.21 -0.51 4.01 3.69 3hziA1 ILE 141 HA -0.06 -0.07 0.19 -0.75 4.18 3.49 3hziA1 ILE 141 HB -0.06 -0.09 -0.04 -0.04 1.89 1.66 3hziA1 ILE 141 HG12 -0.07 -0.08 0.04 -0.04 1.49 1.33 3hziA1 ILE 141 HG13 -0.15 0.27 0.56 -0.04 1.21 1.85 3hziA1 ILE 141 HG23 -0.07 -0.00 -0.21 -0.04 0.93 0.61 3hziA1 ILE 141 HD13 -0.07 0.00 0.01 -0.04 0.88 0.78 3hziA1 ARG 142 H -0.05 0.06 0.06 -0.55 8.46 7.98 3hziA1 ARG 142 HA -0.07 0.16 0.43 -0.75 4.34 4.10 3hziA1 ARG 142 HB2 -0.05 0.02 0.13 -0.04 1.90 1.96 3hziA1 ARG 142 HB3 -0.04 -0.07 0.15 -0.04 1.80 1.80 3hziA1 ARG 142 HG2 -0.04 -0.04 0.20 -0.04 1.67 1.75 3hziA1 ARG 142 HG3 -0.05 0.07 0.15 -0.04 1.67 1.79 3hziA1 ARG 142 HD2 -0.04 0.00 0.06 -0.04 3.22 3.20 3hziA1 ARG 142 HD3 -0.04 0.02 0.06 -0.04 3.22 3.22 3hziA1 GLU 143 H -0.03 0.67 -0.54 -0.55 8.60 8.15 3hziA1 GLU 143 HA -0.01 0.15 0.64 -0.75 4.29 4.31 3hziA1 GLU 143 HB2 -0.01 -0.03 -0.29 -0.04 2.09 1.72 3hziA1 GLU 143 HB3 -0.01 0.03 -0.07 -0.04 1.99 1.90 3hziA1 GLU 143 HG2 0.02 0.06 0.04 -0.04 2.34 2.42 3hziA1 GLU 143 HG3 0.00 -0.02 0.03 -0.04 2.34 2.31 3hziA1 ASP 146 HA 0.07 -0.07 0.29 -0.75 4.63 4.17 3hziA1 ASP 146 HB2 0.04 -0.04 0.10 -0.04 2.71 2.77 3hziA1 ASP 146 HB3 0.07 -0.03 0.18 -0.04 2.70 2.88 3hziA1 PHE 147 H 0.24 0.20 -0.01 -0.55 8.34 8.23 3hziA1 PHE 147 HA 0.04 0.15 0.85 -0.75 4.62 4.91 3hziA1 PHE 147 HB2 0.06 0.01 -0.18 -0.04 3.15 3.00 3hziA1 PHE 147 HB3 0.11 0.02 0.08 -0.04 3.06 3.23 3hziA1 PHE 147 HD2 0.06 -0.02 -0.05 -0.04 7.28 7.23 3hziA1 PHE 147 HE2 0.05 -0.08 0.09 -0.04 7.38 7.40 3hziA1 PHE 147 HZ 0.05 0.10 0.11 -0.04 7.32 7.55 3hziA1 ARG 148 H -0.25 0.22 -0.02 -0.55 8.46 7.86 3hziA1 ARG 148 HA -0.03 0.22 0.86 -0.75 4.34 4.63 3hziA1 ARG 148 HB2 -0.12 -0.03 0.11 -0.04 1.90 1.81 3hziA1 ARG 148 HB3 -0.11 -0.01 0.17 -0.04 1.80 1.81 3hziA1 ARG 148 HG2 -0.01 -0.15 -0.39 -0.04 1.67 1.08 3hziA1 ARG 148 HG3 -0.08 0.02 -0.04 -0.04 1.67 1.52 3hziA1 ARG 148 HD2 -0.08 0.28 -0.07 -0.04 3.22 3.31 3hziA1 ARG 148 HD3 -0.01 0.17 -0.01 -0.04 3.22 3.34 3hziA1 ILE 149 H 0.01 0.16 -0.04 -0.55 8.25 7.84 3hziA1 ILE 149 HA -0.11 0.08 0.86 -0.75 4.18 4.25 3hziA1 ILE 149 HB 0.21 0.02 0.08 -0.04 1.89 2.16 3hziA1 ILE 149 HG12 -1.30 -0.10 0.00 -0.04 1.49 0.06 3hziA1 ILE 149 HG13 -0.52 0.07 0.04 -0.04 1.21 0.76 3hziA1 ILE 149 HG23 0.00 0.01 0.02 -0.04 0.93 0.93 3hziA1 ILE 149 HD13 -0.29 0.02 -0.13 -0.04 0.88 0.44 3hziA1 SER 150 H -0.03 0.56 0.15 -0.55 8.46 8.59 3hziA1 SER 150 HA -0.00 0.10 0.88 -0.75 4.49 4.71 3hziA1 SER 150 HB2 -0.03 0.16 -0.21 -0.04 3.95 3.82 3hziA1 SER 150 HB3 -0.03 -0.04 -0.24 -0.04 3.93 3.58 3hziA1 VAL 151 H -0.01 0.30 0.17 -0.55 8.24 8.15 3hziA1 VAL 151 HA -0.04 0.11 0.69 -0.75 4.13 4.14 3hziA1 VAL 151 HB 0.00 -0.03 -0.11 -0.04 2.12 1.94 3hziA1 VAL 151 HG13 -0.02 0.06 -0.03 -0.04 0.97 0.94 3hziA1 VAL 151 HG23 0.01 -0.00 -0.27 -0.04 0.95 0.64 3hziA1 ALA 152 H -0.04 0.10 0.08 -0.55 8.40 7.99 3hziA1 ALA 152 HA -0.03 0.17 0.47 -0.75 4.34 4.19 3hziA1 ALA 152 HB3 -0.05 0.01 -0.03 -0.04 1.41 1.30 3hziA1 GLY 153 H -0.02 0.16 0.17 -0.55 8.43 8.20 3hziA1 GLY 153 HA2 0.02 0.04 0.31 -0.51 4.01 3.86 3hziA1 GLY 153 HA3 0.02 0.23 0.86 -0.51 4.01 4.61 3hziA1 ALA 154 H 0.02 0.01 0.18 -0.55 8.40 8.06 3hziA1 ALA 154 HA -0.00 0.13 1.01 -0.75 4.34 4.72 3hziA1 ALA 154 HB3 0.00 0.00 0.00 -0.04 1.41 1.38 3hziA1 GLN 155 H 0.01 -0.08 0.12 -0.55 8.47 7.98 3hziA1 GLN 155 HA -0.02 0.13 0.50 -0.75 4.36 4.22 3hziA1 GLN 155 HB2 0.00 -0.03 0.07 -0.04 2.15 2.15 3hziA1 GLN 155 HB3 -0.03 0.07 0.11 -0.04 2.02 2.12 3hziA1 GLN 155 HG2 -0.00 0.01 0.04 -0.04 2.40 2.41 3hziA1 GLN 155 HG3 -0.02 0.01 0.10 -0.04 2.39 2.44 3hziA1 GLN 155 HE21 0.05 0.02 -0.00 -0.04 6.97 6.99 3hziA1 GLN 155 HE22 0.03 0.03 0.01 -0.04 7.69 7.72 3hziA1 GLU 156 H -0.08 0.12 0.11 -0.55 8.60 8.20 3hziA1 GLU 156 HA -0.04 0.15 0.72 -0.75 4.29 4.37 3hziA1 GLU 156 HB2 -0.16 -0.02 0.07 -0.04 2.09 1.93 3hziA1 GLU 156 HB3 -0.30 -0.01 0.04 -0.04 1.99 1.68 3hziA1 GLU 156 HG2 -0.26 0.01 -0.05 -0.04 2.34 2.00 3hziA1 GLU 156 HG3 -0.07 0.04 -0.09 -0.04 2.34 2.18 3hziA1 LYS 157 H -0.01 0.24 0.18 -0.55 8.42 8.28 3hziA1 LYS 157 HA -0.03 0.11 0.81 -0.75 4.32 4.45 3hziA1 LYS 157 HB2 -0.00 0.20 0.05 -0.04 1.87 2.08 3hziA1 LYS 157 HB3 -0.01 -0.13 -0.39 -0.04 1.79 1.23 3hziA1 LYS 157 HG2 0.02 0.05 -0.57 -0.04 1.46 0.92 3hziA1 LYS 157 HG3 0.01 -0.03 -0.20 -0.04 1.46 1.20 3hziA1 LYS 157 HD2 0.00 -0.04 -0.15 -0.04 1.69 1.46 3hziA1 LYS 157 HD3 0.01 0.01 -0.27 -0.04 1.68 1.38 3hziA1 LYS 157 HE2 0.01 0.05 -0.15 -0.04 2.99 2.86 3hziA1 LYS 157 HE3 0.00 -0.12 -0.30 -0.04 2.99 2.53 3hziA1 THR 158 H 0.01 0.86 0.21 -0.55 8.28 8.81 3hziA1 THR 158 HA 0.07 0.04 0.43 -0.75 4.39 4.18 3hziA1 THR 158 HB 0.03 -0.01 -0.27 -0.04 4.32 4.03 3hziA1 THR 158 HG23 0.00 -0.04 -0.31 -0.04 1.22 0.83 3hziA1 ALA 159 H 0.11 0.18 0.12 -0.55 8.40 8.28 3hziA1 ALA 159 HA 0.10 -0.06 1.18 -0.75 4.34 4.79 3hziA1 ALA 159 HB3 0.04 0.01 0.05 -0.04 1.41 1.46 3hziA1 LEU 160 H 0.20 0.78 0.47 -0.55 8.37 9.28 3hziA1 LEU 160 HA 0.20 0.23 0.86 -0.75 4.35 4.89 3hziA1 LEU 160 HB2 0.42 -0.07 -0.03 -0.04 1.64 1.93 3hziA1 LEU 160 HB3 0.33 0.05 0.07 -0.04 1.64 2.05 3hziA1 LEU 160 HG 0.13 -0.04 -0.63 -0.04 1.64 1.06 3hziA1 LEU 160 HD13 0.04 -0.02 -0.15 -0.04 0.93 0.76 3hziA1 LEU 160 HD23 0.26 0.10 0.01 -0.04 0.89 1.22 3hziA1 LEU 161 H 0.15 0.42 0.25 -0.55 8.37 8.64 3hziA1 LEU 161 HA 0.01 -0.04 0.78 -0.75 4.35 4.35 3hziA1 LEU 161 HB2 -0.01 0.12 0.02 -0.04 1.64 1.73 3hziA1 LEU 161 HB3 -0.00 0.31 0.05 -0.04 1.64 1.96 3hziA1 LEU 161 HG -0.37 -0.16 -0.19 -0.04 1.64 0.89 3hziA1 LEU 161 HD13 -0.16 0.02 -0.02 -0.04 0.93 0.73 3hziA1 LEU 161 HD23 -0.34 0.01 -0.19 -0.04 0.89 0.33 3hziA1 ARG 162 H -0.14 0.21 0.02 -0.55 8.46 8.00 3hziA1 ARG 162 HA -0.44 0.21 0.71 -0.75 4.34 4.07 3hziA1 ARG 162 HB2 -1.06 0.06 -0.26 -0.04 1.90 0.60 3hziA1 ARG 162 HB3 -0.33 -0.02 0.01 -0.04 1.80 1.42 3hziA1 ARG 162 HG2 -0.48 -0.01 -0.22 -0.04 1.67 0.91 3hziA1 ARG 162 HG3 -0.88 0.07 -0.23 -0.04 1.67 0.59 3hziA1 ARG 162 HD2 -3.05 -0.01 -0.17 -0.04 3.22 -0.05 3hziA1 ARG 162 HD3 -1.17 -0.01 -0.14 -0.04 3.22 1.86 3hziA1 ILE 163 H -0.35 0.28 0.07 -0.55 8.25 7.70 3hziA1 ILE 163 HA -0.18 0.17 0.90 -0.75 4.18 4.32 3hziA1 ILE 163 HB -0.41 -0.04 0.08 -0.04 1.89 1.47 3hziA1 ILE 163 HG12 -0.80 -0.09 -0.16 -0.04 1.49 0.40 3hziA1 ILE 163 HG13 -1.94 0.06 -0.11 -0.04 1.21 -0.82 3hziA1 ILE 163 HG23 -0.18 0.01 -0.09 -0.04 0.93 0.63 3hziA1 ILE 163 HD13 -0.23 0.07 -0.25 -0.04 0.88 0.44 3hziA1 GLY 164 H -0.11 0.21 0.12 -0.55 8.43 8.10 3hziA1 GLY 164 HA2 -0.07 0.05 0.34 -0.51 4.01 3.81 3hziA1 GLY 164 HA3 -0.07 0.01 0.46 -0.51 4.01 3.91 3hziA1 ASN 165 H -0.06 0.15 0.12 -0.55 8.53 8.19 3hziA1 ASN 165 HA -0.15 0.24 0.87 -0.75 4.76 4.97 3hziA1 ASN 165 HB2 -0.02 -0.03 0.15 -0.04 2.88 2.94 3hziA1 ASN 165 HB3 -0.02 -0.01 0.18 -0.04 2.79 2.90 3hziA1 ASN 165 HD21 -0.01 0.01 -0.05 -0.04 7.03 6.94 3hziA1 ASN 165 HD22 -0.01 -0.02 -0.00 -0.04 7.74 7.67 3hziA1 ASP 166 H -0.25 0.34 -0.38 -0.55 8.40 7.56 3hziA1 ASP 166 HA -0.03 0.11 0.62 -0.75 4.63 4.58 3hziA1 ASP 166 HB2 -0.03 0.10 -0.04 -0.04 2.71 2.70 3hziA1 ASP 166 HB3 0.03 -0.07 -0.14 -0.04 2.70 2.48 3hziA1 TRP 167 H 0.22 0.18 0.01 -0.55 7.97 7.83 3hziA1 TRP 167 HA -0.05 0.30 0.77 -0.75 4.62 4.88 3hziA1 TRP 167 HB2 -0.00 -0.07 0.14 -0.04 3.23 3.26 3hziA1 TRP 167 HB3 -0.01 0.08 0.03 -0.04 3.23 3.29 3hziA1 TRP 167 HD1 -0.02 -0.03 -0.09 -0.04 7.22 7.04 3hziA1 TRP 167 HE1 -0.04 -0.01 -0.12 -0.04 10.20 9.99 3hziA1 TRP 167 HE3 -0.07 0.11 -0.09 -0.04 7.59 7.49 3hziA1 TRP 167 HZ2 -0.09 -0.02 -0.14 -0.04 7.44 7.16 3hziA1 TRP 167 HZ3 -0.19 -0.01 -0.19 -0.04 7.13 6.71 3hziA1 TRP 167 HH2 -0.26 0.01 -0.16 -0.04 7.19 6.73 3hziA1 CYS 168 H -0.01 0.25 -0.17 -0.55 8.50 8.02 3hziA1 CYS 168 HA 0.20 -0.03 0.56 -0.75 4.58 4.55 3hziA1 CYS 168 HB2 -0.04 0.04 -0.25 -0.04 2.97 2.68 3hziA1 CYS 168 HB3 0.42 0.00 -0.49 -0.04 2.97 2.86 3hziA1 ILE 169 H 0.22 0.38 0.12 -0.55 8.25 8.42 3hziA1 ILE 169 HA 0.30 0.11 0.53 -0.75 4.18 4.36 3hziA1 ILE 169 HB 0.22 -0.04 0.20 -0.04 1.89 2.22 3hziA1 ILE 169 HG12 0.17 -0.10 0.07 -0.04 1.49 1.59 3hziA1 ILE 169 HG13 0.13 -0.02 0.05 -0.04 1.21 1.33 3hziA1 ILE 169 HG23 0.50 0.05 -0.11 -0.04 0.93 1.33 3hziA1 ILE 169 HD13 0.22 0.02 0.02 -0.04 0.88 1.11 3hziA1 PRO 170 HA 0.15 0.02 0.40 -0.51 4.44 4.50 3hziA1 PRO 170 HB2 -0.11 0.27 -0.10 -0.04 2.28 2.29 3hziA1 PRO 170 HB3 -0.01 -0.04 -0.08 -0.04 2.02 1.84 3hziA1 PRO 170 HG2 -0.58 0.02 0.12 -0.04 2.03 1.54 3hziA1 PRO 170 HG3 -0.21 0.04 0.05 -0.04 2.03 1.87 3hziA1 PRO 170 HD2 0.44 0.08 0.29 -0.04 3.68 4.45 3hziA1 PRO 170 HD3 0.17 -0.04 0.32 -0.04 3.65 4.05 3hziA1 LYS 171 H 0.15 0.47 0.22 -0.55 8.42 8.71 3hziA1 LYS 171 HA 0.02 0.28 0.95 -0.75 4.32 4.82 3hziA1 LYS 171 HB2 0.08 -0.19 -0.49 -0.04 1.87 1.23 3hziA1 LYS 171 HB3 0.04 -0.05 -0.08 -0.04 1.79 1.66 3hziA1 LYS 171 HG2 0.16 0.11 -0.18 -0.04 1.46 1.50 3hziA1 LYS 171 HG3 0.06 -0.16 -0.16 -0.04 1.46 1.16 3hziA1 LYS 171 HD2 0.06 -0.06 0.02 -0.04 1.69 1.67 3hziA1 LYS 171 HD3 0.10 0.39 0.04 -0.04 1.68 2.16 3hziA1 LYS 171 HE2 0.16 0.02 -0.02 -0.04 2.99 3.11 3hziA1 LYS 171 HE3 0.09 -0.16 -0.00 -0.04 2.99 2.88 3hziA1 GLY 172 H -0.04 0.18 0.11 -0.55 8.43 8.13 3hziA1 GLY 172 HA2 -0.10 0.01 0.31 -0.51 4.01 3.71 3hziA1 GLY 172 HA3 0.01 0.09 0.53 -0.51 4.01 4.12 3hziA1 ILE 173 H 0.00 0.16 -0.03 -0.55 8.25 7.83 3hziA1 ILE 173 HA -0.07 0.11 0.38 -0.75 4.18 3.84 3hziA1 ILE 173 HB -0.03 0.02 0.10 -0.04 1.89 1.93 3hziA1 ILE 173 HG12 0.01 -0.01 -0.16 -0.04 1.49 1.29 3hziA1 ILE 173 HG13 -0.01 0.11 -0.25 -0.04 1.21 1.03 3hziA1 ILE 173 HG23 -0.03 -0.03 -0.04 -0.04 0.93 0.79 3hziA1 ILE 173 HD13 -0.07 -0.04 -0.06 -0.04 0.88 0.67 3hziA1 THR 174 H 0.00 0.14 -0.96 -0.55 8.28 6.91 3hziA1 THR 174 HA 0.04 0.11 0.45 -0.75 4.39 4.24 3hziA1 THR 174 HB 0.08 -0.13 0.02 -0.04 4.32 4.25 3hziA1 THR 174 HG23 0.18 0.03 -0.12 -0.04 1.22 1.26 3hziA1 PRO 175 HA -0.07 0.04 0.43 -0.51 4.44 4.34 3hziA1 PRO 175 HB2 -0.16 -0.02 -0.03 -0.04 2.28 2.03 3hziA1 PRO 175 HB3 -0.09 0.06 0.05 -0.04 2.02 2.00 3hziA1 PRO 175 HG2 -0.08 0.08 0.05 -0.04 2.03 2.04 3hziA1 PRO 175 HG3 -0.05 0.12 0.10 -0.04 2.03 2.16 3hziA1 PRO 175 HD2 -0.04 -0.04 0.23 -0.04 3.68 3.78 3hziA1 PRO 175 HD3 0.00 0.18 0.36 -0.04 3.65 4.14 3hziA1 THR 176 H -0.07 0.12 0.08 -0.55 8.28 7.86 3hziA1 THR 176 HA -0.01 0.01 0.25 -0.75 4.39 3.88 3hziA1 THR 176 HB 0.04 0.00 -0.10 -0.04 4.32 4.22 3hziA1 THR 176 HG23 0.03 -0.02 -0.33 -0.04 1.22 0.86 3hziA1 THR 177 H 0.08 0.62 0.44 -0.55 8.28 8.87 3hziA1 THR 177 HA -0.16 0.25 0.96 -0.75 4.39 4.68 3hziA1 THR 177 HB -0.13 -0.04 0.11 -0.04 4.32 4.22 3hziA1 THR 177 HG23 -0.22 0.03 -0.15 -0.04 1.22 0.83 3hziA1 HIS 178 H 0.23 0.64 0.36 -0.55 8.41 9.09 3hziA1 HIS 178 HA 0.04 0.27 1.12 -0.75 4.63 5.30 3hziA1 HIS 178 HB2 0.45 -0.06 -0.03 -0.04 3.26 3.58 3hziA1 HIS 178 HB3 0.28 0.01 -0.18 -0.04 3.20 3.26 3hziA1 HIS 178 HD2 0.24 0.01 -0.46 -0.04 6.97 6.71 3hziA1 HIS 178 HE1 -0.13 0.03 -0.08 -0.04 7.75 7.52 3hziA1 ILE 179 H 0.04 0.41 0.09 -0.55 8.25 8.25 3hziA1 ILE 179 HA 0.05 0.07 0.75 -0.75 4.18 4.29 3hziA1 ILE 179 HB -0.02 -0.02 0.10 -0.04 1.89 1.90 3hziA1 ILE 179 HG12 -0.04 0.05 -0.09 -0.04 1.49 1.37 3hziA1 ILE 179 HG13 -0.10 -0.01 -0.16 -0.04 1.21 0.90 3hziA1 ILE 179 HG23 0.00 -0.01 -0.18 -0.04 0.93 0.70 3hziA1 ILE 179 HD13 -0.13 0.00 -0.06 -0.04 0.88 0.66 3hziA1 ILE 180 H 0.07 0.41 0.34 -0.55 8.25 8.51 3hziA1 ILE 180 HA 0.01 0.20 0.84 -0.75 4.18 4.48 3hziA1 ILE 180 HB -0.02 0.37 0.18 -0.04 1.89 2.38 3hziA1 ILE 180 HG12 -0.35 -0.04 -0.12 -0.04 1.49 0.94 3hziA1 ILE 180 HG13 -0.21 -0.06 -0.09 -0.04 1.21 0.82 3hziA1 ILE 180 HG23 -0.12 -0.04 -0.29 -0.04 0.93 0.43 3hziA1 ILE 180 HD13 0.19 -0.03 -0.13 -0.04 0.88 0.86 3hziA1 LYS 181 H -0.02 0.86 0.46 -0.55 8.42 9.17 3hziA1 LYS 181 HA -0.03 0.18 1.08 -0.75 4.32 4.80 3hziA1 LYS 181 HB2 0.02 -0.05 0.13 -0.04 1.87 1.93 3hziA1 LYS 181 HB3 -0.01 0.00 -0.00 -0.04 1.79 1.74 3hziA1 LYS 181 HG2 0.00 0.04 -0.09 -0.04 1.46 1.37 3hziA1 LYS 181 HG3 0.02 0.07 -0.30 -0.04 1.46 1.21 3hziA1 LYS 181 HD2 0.05 -0.03 -0.07 -0.04 1.69 1.60 3hziA1 LYS 181 HD3 0.03 -0.03 -0.07 -0.04 1.68 1.56 3hziA1 LYS 181 HE2 0.03 -0.01 -0.11 -0.04 2.99 2.86 3hziA1 LYS 181 HE3 0.05 0.05 -0.10 -0.04 2.99 2.96 3hziA1 LEU 182 H -0.11 0.65 0.32 -0.55 8.37 8.68 3hziA1 LEU 182 HA -0.11 0.21 1.08 -0.75 4.35 4.78 3hziA1 LEU 182 HB2 -0.49 -0.04 -0.04 -0.04 1.64 1.03 3hziA1 LEU 182 HB3 -0.37 0.10 0.13 -0.04 1.64 1.46 3hziA1 LEU 182 HG -0.04 0.03 -0.17 -0.04 1.64 1.42 3hziA1 LEU 182 HD13 -0.04 -0.01 -0.49 -0.04 0.93 0.34 3hziA1 LEU 182 HD23 -0.09 -0.04 -0.34 -0.04 0.89 0.37 3hziA1 PRO 183 HA -0.07 -0.22 0.55 -0.51 4.44 4.19 3hziA1 PRO 183 HB2 -0.05 0.09 0.25 -0.04 2.28 2.52 3hziA1 PRO 183 HB3 -0.04 0.03 0.18 -0.04 2.02 2.15 3hziA1 PRO 183 HG2 -0.01 -0.05 0.25 -0.04 2.03 2.18 3hziA1 PRO 183 HG3 -0.05 -0.13 0.21 -0.04 2.03 2.02 3hziA1 PRO 183 HD2 -0.12 0.12 0.31 -0.04 3.68 3.96 3hziA1 PRO 183 HD3 -0.08 0.42 0.51 -0.04 3.65 4.46 3hziA1 ILE 184 H -0.06 -0.05 0.20 -0.55 8.25 7.79 3hziA1 ILE 184 HA -0.07 -0.02 0.25 -0.75 4.18 3.58 3hziA1 ILE 184 HB -0.03 0.30 0.23 -0.04 1.89 2.35 3hziA1 ILE 184 HG12 -0.03 -0.10 0.11 -0.04 1.49 1.43 3hziA1 ILE 184 HG13 -0.01 -0.01 0.03 -0.04 1.21 1.18 3hziA1 ILE 184 HG23 -0.02 -0.00 0.18 -0.04 0.93 1.05 3hziA1 ILE 184 HD13 -0.01 -0.01 0.06 -0.04 0.88 0.88 3hziA1 LEU 196 HA -0.01 -0.14 0.16 -0.75 4.35 3.61 3hziA1 LEU 196 HB2 -0.01 0.02 0.24 -0.04 1.64 1.86 3hziA1 LEU 196 HB3 -0.01 -0.09 -0.16 -0.04 1.64 1.35 3hziA1 LEU 196 HG 0.00 -0.01 -0.04 -0.04 1.64 1.55 3hziA1 LEU 196 HD13 -0.00 -0.01 -0.07 -0.04 0.93 0.82 3hziA1 LEU 196 HD23 -0.00 0.01 0.00 -0.04 0.89 0.87 3hziA1 SER 197 H -0.01 0.04 -0.02 -0.55 8.46 7.92 3hziA1 SER 197 HA -0.02 0.31 0.68 -0.75 4.49 4.71 3hziA1 SER 197 HB2 -0.03 -0.33 0.25 -0.04 3.95 3.79 3hziA1 SER 197 HB3 -0.03 0.08 0.10 -0.04 3.93 4.04 3hziA1 GLN 198 H -0.04 0.15 0.09 -0.55 8.47 8.13 3hziA1 GLN 198 HA -0.05 0.18 0.50 -0.75 4.36 4.24 3hziA1 GLN 198 HB2 -0.11 -0.07 0.30 -0.04 2.15 2.23 3hziA1 GLN 198 HB3 -0.12 0.08 0.19 -0.04 2.02 2.14 3hziA1 GLN 198 HG2 -0.11 0.06 0.12 -0.04 2.40 2.43 3hziA1 GLN 198 HG3 -0.07 0.05 0.12 -0.04 2.39 2.46 3hziA1 GLN 198 HE21 -0.05 0.02 0.05 -0.04 6.97 6.96 3hziA1 GLN 198 HE22 -0.09 0.01 0.08 -0.04 7.69 7.65 3hziA1 SER 199 H -0.02 0.88 -0.29 -0.55 8.46 8.47 3hziA1 SER 199 HA 0.02 0.01 0.28 -0.75 4.49 4.04 3hziA1 SER 199 HB2 0.00 0.03 -0.02 -0.04 3.95 3.92 3hziA1 SER 199 HB3 -0.01 0.10 -0.08 -0.04 3.93 3.90 3hziA1 VAL 200 H -0.01 0.13 -0.33 -0.55 8.24 7.47 3hziA1 VAL 200 HA 0.04 0.11 0.30 -0.75 4.13 3.82 3hziA1 VAL 200 HB -0.02 -0.04 -0.10 -0.04 2.12 1.91 3hziA1 VAL 200 HG13 0.01 -0.00 -0.26 -0.04 0.97 0.67 3hziA1 VAL 200 HG23 -0.04 0.05 -0.13 -0.04 0.95 0.79 3hziA1 ASP 201 H -0.01 0.16 -0.32 -0.55 8.40 7.69 3hziA1 ASP 201 HA 0.26 0.08 0.48 -0.75 4.63 4.70 3hziA1 ASP 201 HB2 -0.15 0.14 0.22 -0.04 2.71 2.87 3hziA1 ASP 201 HB3 -0.45 -0.01 0.02 -0.04 2.70 2.21 3hziA1 ASN 202 H 0.07 0.46 0.06 -0.55 8.53 8.56 3hziA1 ASN 202 HA 0.16 0.03 0.37 -0.75 4.76 4.56 3hziA1 ASN 202 HB2 0.04 -0.02 0.07 -0.04 2.88 2.93 3hziA1 ASN 202 HB3 0.06 0.08 0.08 -0.04 2.79 2.96 3hziA1 ASN 202 HD21 -0.00 0.50 0.27 -0.04 7.03 7.76 3hziA1 ASN 202 HD22 0.01 -0.08 0.06 -0.04 7.74 7.70 3hziA1 GLU 203 H 0.14 0.40 -0.49 -0.55 8.60 8.11 3hziA1 GLU 203 HA 0.13 0.22 0.61 -0.75 4.29 4.50 3hziA1 GLU 203 HB2 0.10 -0.00 0.03 -0.04 2.09 2.17 3hziA1 GLU 203 HB3 0.14 0.08 0.09 -0.04 1.99 2.26 3hziA1 GLU 203 HG2 0.12 -0.00 -0.25 -0.04 2.34 2.17 3hziA1 GLU 203 HG3 0.10 -0.00 -0.04 -0.04 2.34 2.36 3hziA1 TYR 204 H 0.31 0.45 0.01 -0.55 8.29 8.50 3hziA1 TYR 204 HA 0.12 0.03 0.27 -0.75 4.56 4.22 3hziA1 TYR 204 HB2 0.15 0.02 0.07 -0.04 3.06 3.25 3hziA1 TYR 204 HB3 0.29 0.01 0.11 -0.04 2.98 3.34 3hziA1 TYR 204 HD2 0.17 -0.03 -0.23 -0.04 7.15 7.01 3hziA1 TYR 204 HE2 0.05 0.08 0.12 -0.04 6.85 7.06 3hziA1 TYR 205 H 0.40 0.39 -0.70 -0.55 8.29 7.82 3hziA1 TYR 205 HA -0.11 0.07 0.59 -0.75 4.56 4.35 3hziA1 TYR 205 HB2 0.03 -0.05 -0.00 -0.04 3.06 2.99 3hziA1 TYR 205 HB3 0.16 0.10 0.09 -0.04 2.98 3.29 3hziA1 TYR 205 HD2 -0.12 0.03 -0.14 -0.04 7.15 6.87 3hziA1 TYR 205 HE2 -0.03 0.02 -0.09 -0.04 6.85 6.71 3hziA1 CYS 206 H 0.31 0.46 0.10 -0.55 8.50 8.83 3hziA1 CYS 206 HA 0.16 -0.04 0.29 -0.75 4.58 4.24 3hziA1 CYS 206 HB2 0.14 0.14 0.35 -0.04 2.97 3.56 3hziA1 CYS 206 HB3 0.13 -0.06 -0.10 -0.04 2.97 2.90 3hziA1 LEU 207 H 0.04 0.79 -0.31 -0.55 8.37 8.35 3hziA1 LEU 207 HA 0.06 0.02 0.38 -0.75 4.35 4.06 3hziA1 LEU 207 HB2 -0.04 0.02 -0.05 -0.04 1.64 1.53 3hziA1 LEU 207 HB3 0.00 0.08 -0.10 -0.04 1.64 1.58 3hziA1 LEU 207 HG 0.10 -0.03 -0.10 -0.04 1.64 1.56 3hziA1 LEU 207 HD13 0.11 -0.02 -0.17 -0.04 0.93 0.81 3hziA1 LEU 207 HD23 0.12 0.02 -0.08 -0.04 0.89 0.92 3hziA1 LEU 208 H -0.23 0.37 -0.19 -0.55 8.37 7.78 3hziA1 LEU 208 HA -0.16 0.01 0.48 -0.75 4.35 3.93 3hziA1 LEU 208 HB2 -0.37 0.09 0.28 -0.04 1.64 1.61 3hziA1 LEU 208 HB3 -0.24 -0.03 0.02 -0.04 1.64 1.36 3hziA1 LEU 208 HG -0.66 0.18 0.19 -0.04 1.64 1.31 3hziA1 LEU 208 HD13 -0.30 -0.03 0.05 -0.04 0.93 0.60 3hziA1 LEU 208 HD23 -0.17 -0.02 0.07 -0.04 0.89 0.73 3hziA1 LEU 209 H -0.34 0.50 -0.04 -0.55 8.37 7.95 3hziA1 LEU 209 HA -0.14 0.05 0.26 -0.75 4.35 3.76 3hziA1 LEU 209 HB2 -0.45 -0.05 -0.02 -0.04 1.64 1.08 3hziA1 LEU 209 HB3 -0.10 0.09 -0.03 -0.04 1.64 1.56 3hziA1 LEU 209 HG 0.19 0.03 -0.56 -0.04 1.64 1.26 3hziA1 LEU 209 HD13 0.01 -0.00 -0.15 -0.04 0.93 0.74 3hziA1 LEU 209 HD23 0.16 -0.01 -0.15 -0.04 0.89 0.84 3hziA1 ALA 210 H 0.00 0.41 -0.46 -0.55 8.40 7.81 3hziA1 ALA 210 HA -0.45 -0.01 0.27 -0.75 4.34 3.40 3hziA1 ALA 210 HB3 -0.03 0.03 -0.05 -0.04 1.41 1.32 3hziA1 LYS 211 H -0.05 0.50 -0.19 -0.55 8.42 8.13 3hziA1 LYS 211 HA -0.02 0.08 0.50 -0.75 4.32 4.13 3hziA1 LYS 211 HB2 -0.02 0.08 0.17 -0.04 1.87 2.05 3hziA1 LYS 211 HB3 -0.05 0.10 0.27 -0.04 1.79 2.07 3hziA1 LYS 211 HG2 -0.01 -0.03 -0.15 -0.04 1.46 1.23 3hziA1 LYS 211 HG3 -0.00 -0.01 0.07 -0.04 1.46 1.48 3hziA1 LYS 211 HD2 -0.00 -0.06 0.00 -0.04 1.69 1.59 3hziA1 LYS 211 HD3 -0.01 -0.00 0.03 -0.04 1.68 1.66 3hziA1 LYS 211 HE2 -0.05 0.08 0.10 -0.04 2.99 3.08 3hziA1 LYS 211 HE3 -0.03 -0.00 -0.01 -0.04 2.99 2.91 3hziA1 GLU 212 H -0.06 0.58 -0.01 -0.55 8.60 8.56 3hziA1 GLU 212 HA -0.02 -0.06 0.23 -0.75 4.29 3.69 3hziA1 GLU 212 HB2 -0.06 0.01 0.04 -0.04 2.09 2.04 3hziA1 GLU 212 HB3 -0.04 0.12 -0.01 -0.04 1.99 2.02 3hziA1 GLU 212 HG2 -0.03 0.24 0.05 -0.04 2.34 2.56 3hziA1 GLU 212 HG3 -0.01 -0.08 0.08 -0.04 2.34 2.29 3hziA1 LEU 213 H -0.04 0.37 -0.95 -0.55 8.37 7.19 3hziA1 LEU 213 HA 0.03 0.10 0.83 -0.75 4.35 4.55 3hziA1 LEU 213 HB2 -0.05 0.10 -0.02 -0.04 1.64 1.62 3hziA1 LEU 213 HB3 0.16 -0.08 0.09 -0.04 1.64 1.77 3hziA1 LEU 213 HG 0.06 0.08 -0.20 -0.04 1.64 1.53 3hziA1 LEU 213 HD13 0.19 -0.04 -0.17 -0.04 0.93 0.87 3hziA1 LEU 213 HD23 0.24 -0.02 -0.02 -0.04 0.89 1.05 3hziA1 GLY 214 H -0.02 0.89 0.17 -0.55 8.43 8.92 3hziA1 GLY 214 HA2 -0.00 -0.03 0.34 -0.51 4.01 3.80 3hziA1 GLY 214 HA3 -0.01 -0.01 0.43 -0.51 4.01 3.91 3hziA1 LEU 215 H -0.02 0.40 0.19 -0.55 8.37 8.40 3hziA1 LEU 215 HA 0.09 0.10 0.80 -0.75 4.35 4.57 3hziA1 LEU 215 HB2 -0.10 0.13 -0.17 -0.04 1.64 1.46 3hziA1 LEU 215 HB3 0.09 -0.08 -0.14 -0.04 1.64 1.46 3hziA1 LEU 215 HG -0.11 0.11 -0.39 -0.04 1.64 1.21 3hziA1 LEU 215 HD13 -0.88 -0.02 -0.09 -0.04 0.93 -0.10 3hziA1 LEU 215 HD23 0.11 -0.01 -0.08 -0.04 0.89 0.88 3hziA1 ASN 216 H 0.18 0.12 0.08 -0.55 8.53 8.36 3hziA1 ASN 216 HA 0.02 0.15 0.64 -0.75 4.76 4.81 3hziA1 ASN 216 HB2 -0.02 0.00 0.09 -0.04 2.88 2.91 3hziA1 ASN 216 HB3 -0.18 -0.10 0.24 -0.04 2.79 2.71 3hziA1 ASN 216 HD21 -0.05 0.02 -0.04 -0.04 7.03 6.91 3hziA1 ASN 216 HD22 -0.12 -0.01 -0.08 -0.04 7.74 7.49 3hziA1 VAL 217 H 0.05 0.35 0.22 -0.55 8.24 8.31 3hziA1 VAL 217 HA 0.11 0.46 0.88 -0.75 4.13 4.83 3hziA1 VAL 217 HB 0.13 0.02 -0.05 -0.04 2.12 2.18 3hziA1 VAL 217 HG13 0.14 -0.03 -0.52 -0.04 0.97 0.51 3hziA1 VAL 217 HG23 0.04 0.04 -0.15 -0.04 0.95 0.84 3hziA1 PRO 218 HA 0.12 0.01 0.53 -0.51 4.44 4.59 3hziA1 PRO 218 HB2 0.12 0.14 0.13 -0.04 2.28 2.64 3hziA1 PRO 218 HB3 0.31 -0.03 0.12 -0.04 2.02 2.38 3hziA1 PRO 218 HG2 0.17 -0.04 0.09 -0.04 2.03 2.21 3hziA1 PRO 218 HG3 0.27 -0.02 0.10 -0.04 2.03 2.34 3hziA1 PRO 218 HD2 0.23 0.12 0.30 -0.04 3.68 4.29 3hziA1 PRO 218 HD3 0.30 0.19 0.12 -0.04 3.65 4.22 3hziA1 ASP 219 H 0.07 0.05 0.20 -0.55 8.40 8.18 3hziA1 ASP 219 HA 0.05 0.10 0.44 -0.75 4.63 4.47 3hziA1 ASP 219 HB2 0.08 -0.05 0.07 -0.04 2.71 2.76 3hziA1 ASP 219 HB3 0.08 -0.00 0.06 -0.04 2.70 2.80 3hziA1 ALA 220 H 0.08 0.23 0.15 -0.55 8.40 8.32 3hziA1 ALA 220 HA 0.18 0.14 0.81 -0.75 4.34 4.71 3hziA1 ALA 220 HB3 0.13 0.02 -0.11 -0.04 1.41 1.41 3hziA1 GLU 221 H 0.26 0.80 0.30 -0.55 8.60 9.41 3hziA1 GLU 221 HA 0.35 0.15 0.93 -0.75 4.29 4.96 3hziA1 GLU 221 HB2 0.20 0.01 0.02 -0.04 2.09 2.27 3hziA1 GLU 221 HB3 0.22 0.02 -0.01 -0.04 1.99 2.17 3hziA1 GLU 221 HG2 0.30 0.06 0.06 -0.04 2.34 2.71 3hziA1 GLU 221 HG3 0.35 -0.03 -0.02 -0.04 2.34 2.60 3hziA1 ILE 222 H -0.01 0.19 0.16 -0.55 8.25 8.04 3hziA1 ILE 222 HA 0.01 0.09 1.03 -0.75 4.18 4.57 3hziA1 ILE 222 HB -0.21 -0.02 0.12 -0.04 1.89 1.74 3hziA1 ILE 222 HG12 0.05 0.00 -0.13 -0.04 1.49 1.37 3hziA1 ILE 222 HG13 -0.11 -0.01 -0.14 -0.04 1.21 0.91 3hziA1 ILE 222 HG23 -0.07 -0.01 -0.33 -0.04 0.93 0.48 3hziA1 ILE 222 HD13 -0.08 -0.00 -0.15 -0.04 0.88 0.60 3hziA1 ILE 223 H -0.09 0.70 0.38 -0.55 8.25 8.69 3hziA1 ILE 223 HA -0.03 0.12 0.85 -0.75 4.18 4.37 3hziA1 ILE 223 HB -0.24 0.01 -0.05 -0.04 1.89 1.57 3hziA1 ILE 223 HG12 -0.32 0.09 0.01 -0.04 1.49 1.23 3hziA1 ILE 223 HG13 -0.23 -0.10 0.01 -0.04 1.21 0.84 3hziA1 ILE 223 HG23 -0.29 -0.00 -0.11 -0.04 0.93 0.48 3hziA1 ILE 223 HD13 -0.76 -0.00 -0.16 -0.04 0.88 -0.08 3hziA1 LYS 224 H -0.04 0.18 0.20 -0.55 8.42 8.21 3hziA1 LYS 224 HA -0.05 0.20 1.04 -0.75 4.32 4.75 3hziA1 LYS 224 HB2 -0.02 -0.03 0.16 -0.04 1.87 1.94 3hziA1 LYS 224 HB3 -0.02 0.00 0.02 -0.04 1.79 1.74 3hziA1 LYS 224 HG2 -0.04 0.04 -0.09 -0.04 1.46 1.32 3hziA1 LYS 224 HG3 -0.03 0.02 -0.11 -0.04 1.46 1.30 3hziA1 LYS 224 HD2 -0.03 -0.02 -0.04 -0.04 1.69 1.56 3hziA1 LYS 224 HD3 -0.01 -0.02 -0.01 -0.04 1.68 1.59 3hziA1 LYS 224 HE2 -0.02 -0.00 -0.01 -0.04 2.99 2.91 3hziA1 LYS 224 HE3 -0.03 0.03 -0.03 -0.04 2.99 2.91 3hziA1 ALA 225 H -0.04 0.78 0.18 -0.55 8.40 8.78 3hziA1 ALA 225 HA -0.03 0.08 0.77 -0.75 4.34 4.41 3hziA1 ALA 225 HB3 -0.05 0.01 -0.05 -0.04 1.41 1.27 3hziA1 GLY 226 H -0.02 0.12 0.01 -0.55 8.43 8.00 3hziA1 GLY 226 HA2 -0.01 0.02 0.34 -0.51 4.01 3.85 3hziA1 GLY 226 HA3 -0.02 -0.00 0.42 -0.51 4.01 3.90 3hziA1 ASN 227 H -0.02 0.10 0.20 -0.55 8.53 8.27 3hziA1 ASN 227 HA -0.01 0.04 0.42 -0.75 4.76 4.46 3hziA1 ASN 227 HB2 -0.01 0.01 0.23 -0.04 2.88 3.07 3hziA1 ASN 227 HB3 -0.02 -0.06 0.15 -0.04 2.79 2.82 3hziA1 ASN 227 HD21 -0.03 0.03 0.01 -0.04 7.03 7.00 3hziA1 ASN 227 HD22 -0.02 -0.08 0.08 -0.04 7.74 7.68 3hziA1 VAL 228 H -0.02 0.41 -0.94 -0.55 8.24 7.14 3hziA1 VAL 228 HA 0.01 0.05 0.65 -0.75 4.13 4.08 3hziA1 VAL 228 HB 0.02 0.03 -0.18 -0.04 2.12 1.95 3hziA1 VAL 228 HG13 -0.02 0.09 -0.08 -0.04 0.97 0.92 3hziA1 VAL 228 HG23 0.09 0.08 0.02 -0.04 0.95 1.10 3hziA1 ARG 229 H -0.01 0.24 0.21 -0.55 8.46 8.34 3hziA1 ARG 229 HA -0.05 0.18 0.96 -0.75 4.34 4.67 3hziA1 ARG 229 HB2 -0.04 -0.03 0.08 -0.04 1.90 1.87 3hziA1 ARG 229 HB3 -0.05 -0.09 -0.00 -0.04 1.80 1.62 3hziA1 ARG 229 HG2 -0.06 0.05 -0.05 -0.04 1.67 1.56 3hziA1 ARG 229 HG3 -0.05 0.04 -0.03 -0.04 1.67 1.58 3hziA1 ARG 229 HD2 -0.07 0.01 -0.03 -0.04 3.22 3.09 3hziA1 ARG 229 HD3 -0.08 -0.12 -0.03 -0.04 3.22 2.95 3hziA1 ALA 230 H -0.08 0.71 0.29 -0.55 8.40 8.78 3hziA1 ALA 230 HA -0.06 0.21 1.11 -0.75 4.34 4.84 3hziA1 ALA 230 HB3 -0.11 0.01 -0.08 -0.04 1.41 1.19 3hziA1 LEU 231 H -0.03 0.59 0.32 -0.55 8.37 8.69 3hziA1 LEU 231 HA 0.02 0.04 0.79 -0.75 4.35 4.45 3hziA1 LEU 231 HB2 0.06 -0.06 0.10 -0.04 1.64 1.70 3hziA1 LEU 231 HB3 0.03 -0.03 0.18 -0.04 1.64 1.79 3hziA1 LEU 231 HG 0.11 0.01 -0.30 -0.04 1.64 1.41 3hziA1 LEU 231 HD13 0.20 0.02 -0.18 -0.04 0.93 0.93 3hziA1 LEU 231 HD23 0.13 0.01 -0.05 -0.04 0.89 0.94 3hziA1 ALA 232 H 0.09 0.88 0.43 -0.55 8.40 9.26 3hziA1 ALA 232 HA 0.08 0.17 0.95 -0.75 4.34 4.78 3hziA1 ALA 232 HB3 0.11 0.00 -0.00 -0.04 1.41 1.48 3hziA1 VAL 233 H 0.14 0.45 0.05 -0.55 8.24 8.33 3hziA1 VAL 233 HA 0.16 0.12 0.88 -0.75 4.13 4.54 3hziA1 VAL 233 HB 0.06 -0.00 0.10 -0.04 2.12 2.23 3hziA1 VAL 233 HG13 0.08 0.10 -0.00 -0.04 0.97 1.10 3hziA1 VAL 233 HG23 0.11 -0.03 -0.06 -0.04 0.95 0.94 3hziA1 GLU 234 H 0.06 0.43 0.20 -0.55 8.60 8.75 3hziA1 GLU 234 HA -0.51 0.17 0.66 -0.75 4.29 3.86 3hziA1 GLU 234 HB2 -0.00 -0.03 0.06 -0.04 2.09 2.08 3hziA1 GLU 234 HB3 -0.02 -0.06 0.10 -0.04 1.99 1.97 3hziA1 GLU 234 HG2 -0.17 0.09 -0.03 -0.04 2.34 2.20 3hziA1 GLU 234 HG3 -0.32 0.02 0.03 -0.04 2.34 2.03 3hziA1 ARG 235 H -0.30 0.57 0.30 -0.55 8.46 8.48 3hziA1 ARG 235 HA -0.35 0.10 0.74 -0.75 4.34 4.08 3hziA1 ARG 235 HB2 -0.22 0.07 0.04 -0.04 1.90 1.75 3hziA1 ARG 235 HB3 -0.29 -0.05 -0.10 -0.04 1.80 1.32 3hziA1 ARG 235 HG2 -0.18 -0.08 -0.24 -0.04 1.67 1.13 3hziA1 ARG 235 HG3 -0.17 0.28 -0.56 -0.04 1.67 1.18 3hziA1 ARG 235 HD2 -0.07 -0.07 -0.50 -0.04 3.22 2.53 3hziA1 ARG 235 HD3 -0.13 0.16 -0.42 -0.04 3.22 2.78 3hziA1 PHE 236 H -0.86 0.21 0.13 -0.55 8.34 7.26 3hziA1 PHE 236 HA 0.00 0.17 0.58 -0.75 4.62 4.62 3hziA1 PHE 236 HB2 0.16 0.00 0.23 -0.04 3.15 3.50 3hziA1 PHE 236 HB3 0.03 -0.01 0.09 -0.04 3.06 3.13 3hziA1 PHE 236 HD2 0.04 0.01 -0.16 -0.04 7.28 7.13 3hziA1 PHE 236 HE2 -0.17 -0.03 -0.14 -0.04 7.38 7.00 3hziA1 PHE 236 HZ -0.89 -0.03 -0.12 -0.04 7.32 6.25 3hziA1 ASP 237 H -0.17 0.10 -0.85 -0.55 8.40 6.93 3hziA1 ASP 237 HA 0.25 0.18 0.79 -0.75 4.63 5.09 3hziA1 ASP 237 HB2 0.04 0.21 0.24 -0.04 2.71 3.16 3hziA1 ASP 237 HB3 0.04 -0.04 -0.08 -0.04 2.70 2.58 3hziA1 ARG 238 H -0.04 0.37 -0.03 -0.55 8.46 8.21 3hziA1 ARG 238 HA -0.13 0.29 0.79 -0.75 4.34 4.53 3hziA1 ARG 238 HB2 -0.21 0.03 0.07 -0.04 1.90 1.74 3hziA1 ARG 238 HB3 -0.29 -0.03 0.07 -0.04 1.80 1.50 3hziA1 ARG 238 HG2 -0.15 -0.12 -0.57 -0.04 1.67 0.78 3hziA1 ARG 238 HG3 -0.18 -0.01 -0.06 -0.04 1.67 1.38 3hziA1 ARG 238 HD2 -0.20 -0.02 -0.02 -0.04 3.22 2.94 3hziA1 ARG 238 HD3 -0.13 0.09 0.18 -0.04 3.22 3.31 3hziA1 ARG 239 H -0.24 0.47 0.14 -0.55 8.46 8.29 3hziA1 ARG 239 HA -0.14 -0.00 0.60 -0.75 4.34 4.04 3hziA1 ARG 239 HB2 -0.06 0.16 -0.27 -0.04 1.90 1.70 3hziA1 ARG 239 HB3 -0.05 -0.06 -0.15 -0.04 1.80 1.49 3hziA1 ARG 239 HG2 0.03 0.24 -0.14 -0.04 1.67 1.76 3hziA1 ARG 239 HG3 0.02 -0.07 0.08 -0.04 1.67 1.66 3hziA1 ARG 239 HD2 0.00 -0.05 -0.03 -0.04 3.22 3.11 3hziA1 ARG 239 HD3 -0.04 0.02 -0.05 -0.04 3.22 3.12 3hziA1 TRP 240 H 0.01 0.10 0.16 -0.55 7.97 7.69 3hziA1 TRP 240 HA -0.01 0.11 0.60 -0.75 4.62 4.57 3hziA1 TRP 240 HB2 -0.01 -0.01 0.14 -0.04 3.23 3.31 3hziA1 TRP 240 HB3 -0.00 -0.01 0.06 -0.04 3.23 3.24 3hziA1 TRP 240 HD1 -0.03 -0.01 0.05 -0.04 7.22 7.19 3hziA1 TRP 240 HE1 -0.07 0.01 0.01 -0.04 10.20 10.11 3hziA1 TRP 240 HE3 0.00 0.21 -0.37 -0.04 7.59 7.39 3hziA1 TRP 240 HZ2 -0.16 -0.03 -0.06 -0.04 7.44 7.15 3hziA1 TRP 240 HZ3 0.02 -0.01 -0.50 -0.04 7.13 6.60 3hziA1 TRP 240 HH2 -0.07 0.02 -0.10 -0.04 7.19 6.99 3hziA1 ASN 241 H 0.40 0.35 0.24 -0.55 8.53 8.97 3hziA1 ASN 241 HA 0.12 0.24 0.66 -0.75 4.76 5.04 3hziA1 ASN 241 HB2 0.10 -0.04 0.18 -0.04 2.88 3.08 3hziA1 ASN 241 HB3 0.15 0.15 0.08 -0.04 2.79 3.13 3hziA1 ASN 241 HD21 0.07 -0.02 0.03 -0.04 7.03 7.07 3hziA1 ASN 241 HD22 0.08 0.12 0.08 -0.04 7.74 7.98 3hziA1 ALA 242 H 0.08 0.14 0.14 -0.55 8.40 8.21 3hziA1 ALA 242 HA 0.05 0.13 0.40 -0.75 4.34 4.16 3hziA1 ALA 242 HB3 0.04 -0.00 0.14 -0.04 1.41 1.55 3hziA1 ARG 243 H 0.04 0.04 -0.02 -0.55 8.46 7.97 3hziA1 ARG 243 HA -0.01 0.24 0.54 -0.75 4.34 4.35 3hziA1 ARG 243 HB2 -0.00 0.00 0.10 -0.04 1.90 1.96 3hziA1 ARG 243 HB3 -0.01 0.06 0.12 -0.04 1.80 1.93 3hziA1 ARG 243 HG2 0.03 -0.07 0.09 -0.04 1.67 1.67 3hziA1 ARG 243 HG3 0.02 0.05 0.04 -0.04 1.67 1.74 3hziA1 ARG 243 HD2 0.02 -0.18 -0.07 -0.04 3.22 2.94 3hziA1 ARG 243 HD3 0.02 0.03 0.02 -0.04 3.22 3.25 3hziA1 ARG 244 H 0.01 0.49 -0.60 -0.55 8.46 7.80 3hziA1 ARG 244 HA -0.24 0.04 0.23 -0.75 4.34 3.61 3hziA1 ARG 244 HB2 -0.15 -0.03 -0.41 -0.04 1.90 1.26 3hziA1 ARG 244 HB3 -0.27 0.06 0.15 -0.04 1.80 1.70 3hziA1 ARG 244 HG2 -0.32 0.02 0.04 -0.04 1.67 1.37 3hziA1 ARG 244 HG3 -0.27 -0.03 0.02 -0.04 1.67 1.34 3hziA1 ARG 244 HD2 -0.76 0.01 0.12 -0.04 3.22 2.55 3hziA1 ARG 244 HD3 -1.70 -0.00 0.04 -0.04 3.22 1.52 3hziA1 THR 245 H 0.02 -0.20 -0.62 -0.55 8.28 6.93 3hziA1 THR 245 HA -0.05 0.24 0.70 -0.75 4.39 4.52 3hziA1 THR 245 HB 0.04 0.03 -0.05 -0.04 4.32 4.31 3hziA1 THR 245 HG23 -0.00 -0.01 -0.10 -0.04 1.22 1.07 3hziA1 VAL 246 H 0.17 -0.09 0.05 -0.55 8.24 7.81 3hziA1 VAL 246 HA 0.26 0.26 0.77 -0.75 4.13 4.67 3hziA1 VAL 246 HB 0.14 -0.11 0.03 -0.04 2.12 2.14 3hziA1 VAL 246 HG13 0.09 0.06 -0.16 -0.04 0.97 0.92 3hziA1 VAL 246 HG23 0.10 -0.00 -0.08 -0.04 0.95 0.92 3hziA1 LEU 247 H 0.20 0.29 0.09 -0.55 8.37 8.41 3hziA1 LEU 247 HA -0.33 0.03 0.70 -0.75 4.35 3.99 3hziA1 LEU 247 HB2 -0.61 -0.03 0.00 -0.04 1.64 0.96 3hziA1 LEU 247 HB3 -0.18 0.07 0.19 -0.04 1.64 1.68 3hziA1 LEU 247 HG -0.45 0.11 -0.18 -0.04 1.64 1.08 3hziA1 LEU 247 HD13 -1.83 -0.02 -0.14 -0.04 0.93 -1.11 3hziA1 LEU 247 HD23 -0.46 0.02 -0.11 -0.04 0.89 0.29 3hziA1 LEU 248 H -0.07 0.52 0.14 -0.55 8.37 8.41 3hziA1 LEU 248 HA -0.02 0.07 0.65 -0.75 4.35 4.30 3hziA1 LEU 248 HB2 -0.01 0.13 -0.02 -0.04 1.64 1.69 3hziA1 LEU 248 HB3 0.00 0.01 -0.03 -0.04 1.64 1.58 3hziA1 LEU 248 HG 0.07 -0.06 -0.21 -0.04 1.64 1.41 3hziA1 LEU 248 HD13 0.06 -0.01 -0.09 -0.04 0.93 0.86 3hziA1 LEU 248 HD23 0.04 0.00 -0.10 -0.04 0.89 0.79 3hziA1 ARG 249 H -0.02 0.10 0.17 -0.55 8.46 8.16 3hziA1 ARG 249 HA -0.06 0.25 0.98 -0.75 4.34 4.76 3hziA1 ARG 249 HB2 -0.01 -0.18 0.22 -0.04 1.90 1.90 3hziA1 ARG 249 HB3 -0.01 0.30 0.19 -0.04 1.80 2.24 3hziA1 ARG 249 HG2 -0.07 0.12 0.06 -0.04 1.67 1.75 3hziA1 ARG 249 HG3 -0.07 -0.08 -0.20 -0.04 1.67 1.28 3hziA1 ARG 249 HD2 -0.02 -0.14 0.05 -0.04 3.22 3.07 3hziA1 ARG 249 HD3 -0.02 0.07 -0.02 -0.04 3.22 3.21 3hziA1 LEU 250 H 0.00 0.28 -0.15 -0.55 8.37 7.96 3hziA1 LEU 250 HA 0.03 0.09 0.55 -0.75 4.35 4.26 3hziA1 LEU 250 HB2 0.11 -0.01 0.01 -0.04 1.64 1.70 3hziA1 LEU 250 HB3 -0.09 0.01 -0.04 -0.04 1.64 1.49 3hziA1 LEU 250 HG -0.03 -0.02 -0.38 -0.04 1.64 1.17 3hziA1 LEU 250 HD13 -0.15 0.03 -0.13 -0.04 0.93 0.63 3hziA1 LEU 250 HD23 -0.05 -0.02 -0.31 -0.04 0.89 0.47 3hziA1 PRO 251 HA 0.10 -0.06 0.37 -0.51 4.44 4.34 3hziA1 PRO 251 HB2 0.16 0.18 0.10 -0.04 2.28 2.68 3hziA1 PRO 251 HB3 0.13 0.01 0.05 -0.04 2.02 2.18 3hziA1 PRO 251 HG2 0.17 0.06 0.03 -0.04 2.03 2.24 3hziA1 PRO 251 HG3 0.11 0.01 -0.00 -0.04 2.03 2.10 3hziA1 PRO 251 HD2 0.09 0.08 0.19 -0.04 3.68 4.00 3hziA1 PRO 251 HD3 0.08 0.22 0.28 -0.04 3.65 4.18 3hziA1 GLN 252 H 0.10 0.25 0.30 -0.55 8.47 8.57 3hziA1 GLN 252 HA 0.14 0.08 0.56 -0.75 4.36 4.38 3hziA1 GLN 252 HB2 0.00 0.03 0.07 -0.04 2.15 2.22 3hziA1 GLN 252 HB3 0.24 0.15 -0.16 -0.04 2.02 2.21 3hziA1 GLN 252 HG2 0.05 -0.05 -0.01 -0.04 2.40 2.35 3hziA1 GLN 252 HG3 -0.01 -0.04 -0.47 -0.04 2.39 1.83 3hziA1 GLN 252 HE21 -0.14 0.00 -0.13 -0.04 6.97 6.66 3hziA1 GLN 252 HE22 -0.09 -0.05 -0.19 -0.04 7.69 7.32 3hziA1 GLU 253 H -0.00 0.54 0.30 -0.55 8.60 8.89 3hziA1 GLU 253 HA -0.08 0.12 0.59 -0.75 4.29 4.16 3hziA1 GLU 253 HB2 -0.06 -0.09 0.12 -0.04 2.09 2.02 3hziA1 GLU 253 HB3 0.07 0.20 -0.17 -0.04 1.99 2.04 3hziA1 GLU 253 HG2 0.01 0.08 -0.16 -0.04 2.34 2.22 3hziA1 GLU 253 HG3 -0.08 -0.04 -0.27 -0.04 2.34 1.91 3hziA1 ASP 254 H -0.11 0.13 0.18 -0.55 8.40 8.05 3hziA1 ASP 254 HA 0.01 0.47 1.02 -0.75 4.63 5.38 3hziA1 ASP 254 HB2 0.06 0.08 0.01 -0.04 2.71 2.81 3hziA1 ASP 254 HB3 0.02 0.11 -0.02 -0.04 2.70 2.77 3hziA1 MET 255 H 0.03 0.64 0.20 -0.55 8.47 8.79 3hziA1 MET 255 HA -0.37 0.03 0.23 -0.75 4.52 3.66 3hziA1 MET 255 HB2 0.11 -0.05 -0.00 -0.04 2.15 2.17 3hziA1 MET 255 HB3 0.04 -0.02 0.06 -0.04 2.03 2.07 3hziA1 MET 255 HG2 0.10 0.28 0.08 -0.04 2.63 3.06 3hziA1 MET 255 HG3 0.19 -0.01 0.02 -0.04 2.56 2.72 3hziA1 MET 255 HE3 -0.16 -0.00 -0.12 -0.04 2.10 1.78 3hziA1 CYS 256 H -0.05 0.01 -0.90 -0.55 8.50 7.01 3hziA1 CYS 256 HA 0.05 0.12 0.45 -0.75 4.58 4.44 3hziA1 CYS 256 HB2 -0.04 -0.03 -0.06 -0.04 2.97 2.80 3hziA1 CYS 256 HB3 -0.03 0.19 -0.27 -0.04 2.97 2.81 3hziA1 GLN 257 H -0.12 0.13 -0.01 -0.55 8.47 7.93 3hziA1 GLN 257 HA -0.06 0.09 0.30 -0.75 4.36 3.94 3hziA1 GLN 257 HB2 -0.12 0.00 0.15 -0.04 2.15 2.14 3hziA1 GLN 257 HB3 0.02 0.02 0.01 -0.04 2.02 2.02 3hziA1 GLN 257 HG2 -0.33 0.09 0.03 -0.04 2.40 2.15 3hziA1 GLN 257 HG3 -0.21 -0.12 0.10 -0.04 2.39 2.12 3hziA1 GLN 257 HE21 -1.10 0.03 -0.02 -0.04 6.97 5.83 3hziA1 GLN 257 HE22 -1.27 0.32 0.10 -0.04 7.69 6.80 3hziA1 THR 258 H -0.26 0.40 -0.26 -0.55 8.28 7.62 3hziA1 THR 258 HA -0.27 -0.09 0.12 -0.75 4.39 3.39 3hziA1 THR 258 HB -1.17 0.03 -0.07 -0.04 4.32 3.07 3hziA1 THR 258 HG23 -1.22 0.02 -0.27 -0.04 1.22 -0.29 3hziA1 PHE 259 H -0.64 0.25 -0.30 -0.55 8.34 7.09 3hziA1 PHE 259 HA -0.09 0.08 0.35 -0.75 4.62 4.21 3hziA1 PHE 259 HB2 -0.07 0.02 -0.06 -0.04 3.15 2.99 3hziA1 PHE 259 HB3 -0.06 -0.03 0.07 -0.04 3.06 3.00 3hziA1 PHE 259 HD2 -0.12 0.06 -0.02 -0.04 7.28 7.17 3hziA1 PHE 259 HE2 -0.18 -0.01 -0.06 -0.04 7.38 7.09 3hziA1 PHE 259 HZ -0.29 -0.01 -0.15 -0.04 7.32 6.83 3hziA1 GLY 260 H -0.05 0.48 -0.93 -0.55 8.43 7.38 3hziA1 GLY 260 HA2 0.02 0.01 0.28 -0.51 4.01 3.81 3hziA1 GLY 260 HA3 0.04 -0.07 0.33 -0.51 4.01 3.80 3hziA1 LEU 261 H 0.04 0.64 -0.08 -0.55 8.37 8.42 3hziA1 LEU 261 HA 0.05 0.15 0.74 -0.75 4.35 4.54 3hziA1 LEU 261 HB2 0.07 -0.07 -0.13 -0.04 1.64 1.47 3hziA1 LEU 261 HB3 0.05 -0.02 -0.02 -0.04 1.64 1.61 3hziA1 LEU 261 HG 0.15 -0.02 -0.37 -0.04 1.64 1.36 3hziA1 LEU 261 HD13 0.04 -0.01 -0.11 -0.04 0.93 0.81 3hziA1 LEU 261 HD23 0.05 0.03 -0.19 -0.04 0.89 0.74 3hziA1 PRO 262 HA -0.02 0.17 0.59 -0.51 4.44 4.67 3hziA1 PRO 262 HB2 0.02 -0.06 0.02 -0.04 2.28 2.21 3hziA1 PRO 262 HB3 0.05 0.08 0.03 -0.04 2.02 2.14 3hziA1 PRO 262 HG2 0.03 -0.15 0.06 -0.04 2.03 1.92 3hziA1 PRO 262 HG3 0.04 0.10 0.04 -0.04 2.03 2.17 3hziA1 PRO 262 HD2 0.04 0.14 0.14 -0.04 3.68 3.96 3hziA1 PRO 262 HD3 0.04 0.20 0.12 -0.04 3.65 3.98 3hziA1 SER 263 H -0.04 0.25 0.08 -0.55 8.46 8.20 3hziA1 SER 263 HA -0.04 0.02 0.24 -0.75 4.49 3.96 3hziA1 SER 263 HB2 -0.06 0.09 0.09 -0.04 3.95 4.03 3hziA1 SER 263 HB3 -0.04 0.03 0.04 -0.04 3.93 3.92 3hziA1 SER 264 H 0.00 -0.02 -0.68 -0.55 8.46 7.21 3hziA1 SER 264 HA 0.02 0.06 0.33 -0.75 4.49 4.14 3hziA1 SER 264 HB2 0.03 0.02 -0.03 -0.04 3.95 3.93 3hziA1 SER 264 HB3 0.02 0.04 0.01 -0.04 3.93 3.96 3hziA1 VAL 265 H 0.02 0.58 -0.24 -0.55 8.24 8.06 3hziA1 VAL 265 HA 0.05 0.15 0.57 -0.75 4.13 4.15 3hziA1 VAL 265 HB 0.04 -0.10 -0.18 -0.04 2.12 1.84 3hziA1 VAL 265 HG13 0.03 0.02 -0.25 -0.04 0.97 0.73 3hziA1 VAL 265 HG23 0.03 0.03 -0.13 -0.04 0.95 0.84 3hziA1 LYS 266 H 0.02 0.59 -0.51 -0.55 8.42 7.97 3hziA1 LYS 266 HA 0.00 -0.07 0.26 -0.75 4.32 3.76 3hziA1 LYS 266 HB2 -0.28 -0.14 -0.05 -0.04 1.87 1.35 3hziA1 LYS 266 HB3 -0.12 0.07 0.10 -0.04 1.79 1.79 3hziA1 LYS 266 HG2 0.02 0.30 0.07 -0.04 1.46 1.80 3hziA1 LYS 266 HG3 0.12 -0.16 0.01 -0.04 1.46 1.39 3hziA1 LYS 266 HD2 -0.08 -0.03 -0.04 -0.04 1.69 1.51 3hziA1 LYS 266 HD3 -0.72 -0.06 -0.03 -0.04 1.68 0.83 3hziA1 LYS 266 HE2 0.02 0.03 -0.01 -0.04 2.99 2.99 3hziA1 LYS 266 HE3 -0.11 -0.06 -0.03 -0.04 2.99 2.75 3hziA1 TYR 267 H 0.22 0.17 -0.22 -0.55 8.29 7.91 3hziA1 TYR 267 HA 0.10 0.11 0.67 -0.75 4.56 4.70 3hziA1 TYR 267 HB2 0.02 0.07 -0.03 -0.04 3.06 3.08 3hziA1 TYR 267 HB3 0.04 -0.06 -0.04 -0.04 2.98 2.87 3hziA1 TYR 267 HD2 0.02 0.03 -0.04 -0.04 7.15 7.12 3hziA1 TYR 267 HE2 -0.00 0.03 -0.08 -0.04 6.85 6.76 3hziA1 GLU 268 H 0.16 0.29 0.13 -0.55 8.60 8.63 3hziA1 GLU 268 HA 0.07 0.23 0.15 -0.75 4.29 3.98 3hziA1 GLU 268 HB2 0.09 0.06 0.13 -0.04 2.09 2.32 3hziA1 GLU 268 HB3 0.08 0.04 0.06 -0.04 1.99 2.13 3hziA1 GLU 268 HG2 0.03 0.01 0.04 -0.04 2.34 2.39 3hziA1 GLU 268 HG3 0.04 0.06 -0.26 -0.04 2.34 2.14 3hziA1 SER 269 H 0.16 -0.01 -0.71 -0.55 8.46 7.36 3hziA1 SER 269 HA 0.04 0.18 0.64 -0.75 4.49 4.60 3hziA1 SER 269 HB2 0.02 0.02 0.11 -0.04 3.95 4.06 3hziA1 SER 269 HB3 0.05 0.02 0.01 -0.04 3.93 3.97 3hziA1 ASP 270 H 0.06 0.04 -0.40 -0.55 8.40 7.56 3hziA1 ASP 270 HA 0.03 0.10 0.62 -0.75 4.63 4.63 3hziA1 ASP 270 HB2 0.08 -0.06 0.03 -0.04 2.71 2.72 3hziA1 ASP 270 HB3 0.05 0.01 0.01 -0.04 2.70 2.72 3hziA1 GLY 271 H 0.05 0.08 0.16 -0.55 8.43 8.18 3hziA1 GLY 271 HA2 0.01 0.03 0.32 -0.51 4.01 3.87 3hziA1 GLY 271 HA3 0.02 0.07 0.59 -0.51 4.01 4.18 3hziA1 GLY 272 H 0.05 0.06 0.08 -0.55 8.43 8.07 3hziA1 GLY 272 HA2 0.03 -0.05 0.29 -0.51 4.01 3.77 3hziA1 GLY 272 HA3 0.05 0.21 0.15 -0.51 4.01 3.92 3hziA1 PRO 273 HA -0.09 0.08 0.62 -0.51 4.44 4.53 3hziA1 PRO 273 HB2 -0.05 -0.02 0.03 -0.04 2.28 2.20 3hziA1 PRO 273 HB3 -0.44 0.06 0.09 -0.04 2.02 1.69 3hziA1 PRO 273 HG2 0.16 -0.05 0.04 -0.04 2.03 2.14 3hziA1 PRO 273 HG3 0.38 0.14 0.01 -0.04 2.03 2.52 3hziA1 PRO 273 HD2 0.09 0.06 0.16 -0.04 3.68 3.95 3hziA1 PRO 273 HD3 0.05 0.17 0.08 -0.04 3.65 3.91 3hziA1 GLY 274 H -0.02 0.03 0.13 -0.55 8.43 8.03 3hziA1 GLY 274 HA2 0.12 0.26 0.77 -0.51 4.01 4.65 3hziA1 GLY 274 HA3 0.05 0.03 0.34 -0.51 4.01 3.92 3hziA1 ILE 275 H 0.10 0.23 0.06 -0.55 8.25 8.09 3hziA1 ILE 275 HA 0.37 0.09 0.28 -0.75 4.18 4.17 3hziA1 ILE 275 HB 0.05 -0.03 0.15 -0.04 1.89 2.02 3hziA1 ILE 275 HG12 0.04 -0.00 -0.03 -0.04 1.49 1.46 3hziA1 ILE 275 HG13 -0.02 0.02 -0.04 -0.04 1.21 1.14 3hziA1 ILE 275 HG23 0.09 0.01 -0.17 -0.04 0.93 0.82 3hziA1 ILE 275 HD13 -0.07 0.01 -0.02 -0.04 0.88 0.76 3hziA1 ALA 276 H 0.04 0.10 -0.10 -0.55 8.40 7.90 3hziA1 ALA 276 HA 0.04 0.09 0.35 -0.75 4.34 4.07 3hziA1 ALA 276 HB3 0.01 0.00 0.08 -0.04 1.41 1.46 3hziA1 ARG 277 H -0.03 0.07 -0.01 -0.55 8.46 7.93 3hziA1 ARG 277 HA -0.06 0.06 0.36 -0.75 4.34 3.96 3hziA1 ARG 277 HB2 -0.18 0.02 0.15 -0.04 1.90 1.84 3hziA1 ARG 277 HB3 -0.16 -0.13 0.16 -0.04 1.80 1.62 3hziA1 ARG 277 HG2 -0.91 0.02 0.01 -0.04 1.67 0.75 3hziA1 ARG 277 HG3 -0.66 0.04 -0.22 -0.04 1.67 0.80 3hziA1 ARG 277 HD2 -0.16 -0.01 -0.01 -0.04 3.22 3.00 3hziA1 ARG 277 HD3 -0.27 -0.02 0.02 -0.04 3.22 2.92 3hziA1 ILE 278 H -0.02 0.31 -0.23 -0.55 8.25 7.76 3hziA1 ILE 278 HA 0.13 -0.02 0.26 -0.75 4.18 3.80 3hziA1 ILE 278 HB -0.23 0.15 0.04 -0.04 1.89 1.81 3hziA1 ILE 278 HG12 0.08 -0.05 -0.05 -0.04 1.49 1.43 3hziA1 ILE 278 HG13 0.03 0.06 -0.09 -0.04 1.21 1.17 3hziA1 ILE 278 HG23 -0.88 -0.02 -0.21 -0.04 0.93 -0.22 3hziA1 ILE 278 HD13 0.02 -0.02 -0.18 -0.04 0.88 0.66 3hziA1 MET 279 H -0.02 0.78 0.10 -0.55 8.47 8.77 3hziA1 MET 279 HA -0.08 -0.08 0.34 -0.75 4.52 3.95 3hziA1 MET 279 HB2 0.06 0.06 0.17 -0.04 2.15 2.40 3hziA1 MET 279 HB3 0.05 -0.03 -0.00 -0.04 2.03 2.01 3hziA1 MET 279 HG2 0.27 -0.01 0.04 -0.04 2.63 2.89 3hziA1 MET 279 HG3 0.13 -0.11 -0.04 -0.04 2.56 2.50 3hziA1 MET 279 HE3 -0.07 -0.02 -0.02 -0.04 2.10 1.95 3hziA1 ALA 280 H 0.05 0.76 -0.16 -0.55 8.40 8.50 3hziA1 ALA 280 HA 0.06 -0.00 0.45 -0.75 4.34 4.09 3hziA1 ALA 280 HB3 0.06 -0.01 0.06 -0.04 1.41 1.49 3hziA1 PHE 281 H 0.24 0.61 0.02 -0.55 8.34 8.65 3hziA1 PHE 281 HA 0.09 -0.02 0.37 -0.75 4.62 4.31 3hziA1 PHE 281 HB2 0.24 -0.10 0.03 -0.04 3.15 3.29 3hziA1 PHE 281 HB3 0.06 0.23 0.14 -0.04 3.06 3.45 3hziA1 PHE 281 HD2 -0.04 0.01 -0.15 -0.04 7.28 7.06 3hziA1 PHE 281 HE2 -0.34 -0.02 -0.18 -0.04 7.38 6.80 3hziA1 PHE 281 HZ -0.85 -0.02 -0.19 -0.04 7.32 6.22 3hziA1 LEU 282 H 0.06 0.35 -0.49 -0.55 8.37 7.74 3hziA1 LEU 282 HA -0.16 0.03 0.29 -0.75 4.35 3.76 3hziA1 LEU 282 HB2 -0.03 0.23 0.13 -0.04 1.64 1.93 3hziA1 LEU 282 HB3 -0.03 -0.18 0.12 -0.04 1.64 1.50 3hziA1 LEU 282 HG -0.12 0.13 -0.17 -0.04 1.64 1.44 3hziA1 LEU 282 HD13 -0.09 -0.05 -0.16 -0.04 0.93 0.59 3hziA1 LEU 282 HD23 0.03 -0.03 -0.20 -0.04 0.89 0.65 3hziA1 GLY 284 HA2 -0.08 -0.10 0.33 -0.51 4.01 3.65 3hziA1 GLY 284 HA3 -0.01 -0.01 0.27 -0.51 4.01 3.74 3hziA1 SER 285 H -0.22 0.58 0.06 -0.55 8.46 8.34 3hziA1 SER 285 HA -1.00 0.32 0.64 -0.75 4.49 3.70 3hziA1 SER 285 HB2 -0.21 0.05 0.13 -0.04 3.95 3.88 3hziA1 SER 285 HB3 -0.16 -0.01 0.22 -0.04 3.93 3.93 3hziA1 SER 286 H -0.30 0.33 0.29 -0.55 8.46 8.23 3hziA1 SER 286 HA -0.15 0.20 0.68 -0.75 4.49 4.47 3hziA1 SER 286 HB2 -0.09 0.01 0.15 -0.04 3.95 3.97 3hziA1 SER 286 HB3 -0.16 0.02 0.13 -0.04 3.93 3.88 3hziA1 GLU 287 H -0.13 0.08 -0.19 -0.55 8.60 7.81 3hziA1 GLU 287 HA -0.05 0.17 0.70 -0.75 4.29 4.36 3hziA1 GLU 287 HB2 -0.04 -0.01 0.05 -0.04 2.09 2.05 3hziA1 GLU 287 HB3 -0.02 -0.09 0.24 -0.04 1.99 2.08 3hziA1 GLU 287 HG2 -0.04 0.15 -0.16 -0.04 2.34 2.25 3hziA1 GLU 287 HG3 -0.02 0.04 -0.03 -0.04 2.34 2.29 3hziA1 ALA 288 H -0.09 0.37 -0.33 -0.55 8.40 7.81 3hziA1 ALA 288 HA -0.05 0.14 0.59 -0.75 4.34 4.26 3hziA1 ALA 288 HB3 -0.06 0.05 0.14 -0.04 1.41 1.50 3hziA1 LEU 289 H -0.00 0.17 -0.06 -0.55 8.37 7.93 3hziA1 LEU 289 HA 0.08 0.09 0.29 -0.75 4.35 4.05 3hziA1 LEU 289 HB2 0.00 -0.02 0.08 -0.04 1.64 1.66 3hziA1 LEU 289 HB3 0.01 0.03 -0.08 -0.04 1.64 1.56 3hziA1 LEU 289 HG 0.01 0.00 0.02 -0.04 1.64 1.63 3hziA1 LEU 289 HD13 0.07 0.01 0.04 -0.04 0.93 1.00 3hziA1 LEU 289 HD23 0.00 0.01 0.02 -0.04 0.89 0.88 3hziA1 LYS 290 H 0.02 0.07 -0.52 -0.55 8.42 7.44 3hziA1 LYS 290 HA 0.06 0.10 0.63 -0.75 4.32 4.36 3hziA1 LYS 290 HB2 0.00 -0.02 0.06 -0.04 1.87 1.87 3hziA1 LYS 290 HB3 0.01 0.08 0.16 -0.04 1.79 2.01 3hziA1 LYS 290 HG2 0.08 -0.02 -0.27 -0.04 1.46 1.21 3hziA1 LYS 290 HG3 0.03 0.00 0.01 -0.04 1.46 1.47 3hziA1 LYS 290 HD2 0.01 -0.00 0.01 -0.04 1.69 1.66 3hziA1 LYS 290 HD3 0.02 0.02 -0.03 -0.04 1.68 1.65 3hziA1 LYS 290 HE2 -0.01 -0.03 0.01 -0.04 2.99 2.93 3hziA1 LYS 290 HE3 -0.00 0.01 0.00 -0.04 2.99 2.96 3hziA1 ASP 291 H 0.03 0.68 0.24 -0.55 8.40 8.81 3hziA1 ASP 291 HA 0.06 0.02 0.45 -0.75 4.63 4.40 3hziA1 ASP 291 HB2 -0.00 0.08 0.23 -0.04 2.71 2.97 3hziA1 ASP 291 HB3 -0.00 -0.02 0.05 -0.04 2.70 2.69 3hziA1 ARG 292 H 0.07 0.84 0.07 -0.55 8.46 8.89 3hziA1 ARG 292 HA 0.07 -0.02 0.35 -0.75 4.34 3.98 3hziA1 ARG 292 HB2 0.07 0.05 0.06 -0.04 1.90 2.05 3hziA1 ARG 292 HB3 0.17 0.07 0.00 -0.04 1.80 2.01 3hziA1 ARG 292 HG2 0.24 -0.05 -0.09 -0.04 1.67 1.72 3hziA1 ARG 292 HG3 0.08 -0.02 0.07 -0.04 1.67 1.76 3hziA1 ARG 292 HD2 0.07 0.09 -0.02 -0.04 3.22 3.32 3hziA1 ARG 292 HD3 0.11 -0.07 -0.11 -0.04 3.22 3.11 3hziA1 TYR 293 H 0.29 0.30 -0.78 -0.55 8.29 7.55 3hziA1 TYR 293 HA 0.12 0.00 0.52 -0.75 4.56 4.44 3hziA1 TYR 293 HB2 0.26 0.04 0.15 -0.04 3.06 3.47 3hziA1 TYR 293 HB3 0.13 0.29 0.25 -0.04 2.98 3.61 3hziA1 TYR 293 HD2 0.32 0.01 -0.06 -0.04 7.15 7.37 3hziA1 TYR 293 HE2 0.07 0.05 -0.01 -0.04 6.85 6.92 3hziA1 ASP 294 H 0.25 0.52 0.19 -0.55 8.40 8.81 3hziA1 ASP 294 HA 0.06 0.04 0.62 -0.75 4.63 4.60 3hziA1 ASP 294 HB2 0.17 0.03 0.17 -0.04 2.71 3.04 3hziA1 ASP 294 HB3 0.27 -0.05 0.08 -0.04 2.70 2.96 3hziA1 PHE 295 H 0.25 0.66 -0.14 -0.55 8.34 8.55 3hziA1 PHE 295 HA 0.27 0.03 0.38 -0.75 4.62 4.55 3hziA1 PHE 295 HB2 -0.01 0.00 0.00 -0.04 3.15 3.11 3hziA1 PHE 295 HB3 -0.06 0.13 0.01 -0.04 3.06 3.10 3hziA1 PHE 295 HD2 -0.19 0.04 -0.07 -0.04 7.28 7.02 3hziA1 PHE 295 HE2 -1.00 -0.01 -0.05 -0.04 7.38 6.28 3hziA1 PHE 295 HZ -0.19 -0.05 -0.16 -0.04 7.32 6.88 3hziA1 MET 296 H -0.10 0.30 -0.42 -0.55 8.47 7.71 3hziA1 MET 296 HA -0.29 0.01 0.44 -0.75 4.52 3.92 3hziA1 MET 296 HB2 -0.49 0.17 0.17 -0.04 2.15 1.96 3hziA1 MET 296 HB3 -0.33 -0.08 -0.01 -0.04 2.03 1.57 3hziA1 MET 296 HG2 -0.45 0.23 0.13 -0.04 2.63 2.50 3hziA1 MET 296 HG3 -1.79 -0.01 0.04 -0.04 2.56 0.75 3hziA1 MET 296 HE3 -0.19 -0.02 -0.06 -0.04 2.10 1.80 3hziA1 LYS 297 H -0.26 0.53 0.06 -0.55 8.42 8.20 3hziA1 LYS 297 HA -0.07 -0.01 0.35 -0.75 4.32 3.84 3hziA1 LYS 297 HB2 -0.38 0.05 0.18 -0.04 1.87 1.69 3hziA1 LYS 297 HB3 -0.03 0.08 0.20 -0.04 1.79 2.00 3hziA1 LYS 297 HG2 0.09 -0.02 -0.19 -0.04 1.46 1.30 3hziA1 LYS 297 HG3 -0.29 -0.02 0.05 -0.04 1.46 1.15 3hziA1 LYS 297 HD2 -0.08 -0.06 0.04 -0.04 1.69 1.55 3hziA1 LYS 297 HD3 0.03 -0.01 0.03 -0.04 1.68 1.69 3hziA1 LYS 297 HE2 -0.14 0.06 -0.06 -0.04 2.99 2.80 3hziA1 LYS 297 HE3 -0.28 -0.08 0.02 -0.04 2.99 2.61 3hziA1 PHE 298 H 0.06 0.55 -0.38 -0.55 8.34 8.02 3hziA1 PHE 298 HA -0.07 0.01 0.33 -0.75 4.62 4.13 3hziA1 PHE 298 HB2 -0.72 0.09 0.10 -0.04 3.15 2.58 3hziA1 PHE 298 HB3 -0.51 0.18 0.05 -0.04 3.06 2.75 3hziA1 PHE 298 HD2 -0.36 0.03 -0.10 -0.04 7.28 6.81 3hziA1 PHE 298 HE2 -0.07 -0.01 -0.10 -0.04 7.38 7.16 3hziA1 PHE 298 HZ -0.10 0.04 -0.10 -0.04 7.32 7.12 3hziA1 GLN 299 H -0.15 0.48 -0.15 -0.55 8.47 8.10 3hziA1 GLN 299 HA -0.12 -0.06 0.42 -0.75 4.36 3.85 3hziA1 GLN 299 HB2 -0.04 0.19 0.22 -0.04 2.15 2.47 3hziA1 GLN 299 HB3 0.10 -0.10 0.01 -0.04 2.02 1.99 3hziA1 GLN 299 HG2 -0.54 0.22 0.15 -0.04 2.40 2.19 3hziA1 GLN 299 HG3 -0.23 -0.11 0.03 -0.04 2.39 2.03 3hziA1 GLN 299 HE21 -0.36 -0.08 -0.03 -0.04 6.97 6.45 3hziA1 GLN 299 HE22 -1.60 0.34 0.05 -0.04 7.69 6.44 3hziA1 VAL 300 H -0.12 0.51 -0.20 -0.55 8.24 7.88 3hziA1 VAL 300 HA -0.25 -0.04 0.32 -0.75 4.13 3.41 3hziA1 VAL 300 HB -0.05 0.27 0.08 -0.04 2.12 2.37 3hziA1 VAL 300 HG13 -0.47 -0.02 -0.02 -0.04 0.97 0.42 3hziA1 VAL 300 HG23 -1.41 -0.01 -0.03 -0.04 0.95 -0.54 3hziA1 PHE 301 H -0.05 0.37 -0.34 -0.55 8.34 7.77 3hziA1 PHE 301 HA -0.51 0.06 0.59 -0.75 4.62 4.01 3hziA1 PHE 301 HB2 -0.10 0.06 0.01 -0.04 3.15 3.08 3hziA1 PHE 301 HB3 -0.38 0.08 0.17 -0.04 3.06 2.90 3hziA1 PHE 301 HD2 -0.50 0.02 -0.10 -0.04 7.28 6.67 3hziA1 PHE 301 HE2 -0.06 0.00 -0.20 -0.04 7.38 7.08 3hziA1 PHE 301 HZ -0.04 0.07 -0.14 -0.04 7.32 7.17 3hziA1 GLN 302 H -0.45 0.78 0.07 -0.55 8.47 8.32 3hziA1 GLN 302 HA -0.59 -0.05 0.28 -0.75 4.36 3.25 3hziA1 GLN 302 HB2 -0.24 0.24 0.16 -0.04 2.15 2.27 3hziA1 GLN 302 HB3 -0.22 -0.08 0.06 -0.04 2.02 1.73 3hziA1 GLN 302 HG2 -0.77 -0.04 -0.00 -0.04 2.40 1.55 3hziA1 GLN 302 HG3 -1.16 0.16 -0.04 -0.04 2.39 1.30 3hziA1 GLN 302 HE21 0.15 -0.11 0.02 -0.04 6.97 6.99 3hziA1 GLN 302 HE22 0.02 0.09 -0.00 -0.04 7.69 7.76 3hziA1 TRP 303 H 0.04 0.27 -0.71 -0.55 7.97 7.03 3hziA1 TRP 303 HA -0.12 -0.02 0.43 -0.75 4.62 4.16 3hziA1 TRP 303 HB2 0.19 -0.02 0.03 -0.04 3.23 3.38 3hziA1 TRP 303 HB3 -0.11 0.32 0.14 -0.04 3.23 3.54 3hziA1 TRP 303 HD1 -0.00 -0.11 -0.04 -0.04 7.22 7.02 3hziA1 TRP 303 HE1 -0.01 0.27 0.01 -0.04 10.20 10.42 3hziA1 TRP 303 HE3 -0.26 0.21 0.10 -0.04 7.59 7.60 3hziA1 TRP 303 HZ2 -0.17 0.24 0.00 -0.04 7.44 7.47 3hziA1 TRP 303 HZ3 -0.19 -0.01 -0.03 -0.04 7.13 6.86 3hziA1 TRP 303 HH2 -0.13 -0.01 0.00 -0.04 7.19 7.01 3hziA1 LEU 304 H -0.03 0.45 0.04 -0.55 8.37 8.29 3hziA1 LEU 304 HA -0.73 -0.01 0.32 -0.75 4.35 3.18 3hziA1 LEU 304 HB2 -0.40 0.05 0.15 -0.04 1.64 1.40 3hziA1 LEU 304 HB3 -0.29 -0.04 -0.02 -0.04 1.64 1.25 3hziA1 LEU 304 HG -0.09 0.23 0.17 -0.04 1.64 1.91 3hziA1 LEU 304 HD13 -0.47 -0.02 -0.00 -0.04 0.93 0.40 3hziA1 LEU 304 HD23 -0.40 -0.02 -0.04 -0.04 0.89 0.39 3hziA1 ILE 305 H -0.63 0.57 -0.25 -0.55 8.25 7.40 3hziA1 ILE 305 HA -0.22 0.14 0.73 -0.75 4.18 4.07 3hziA1 ILE 305 HB -0.25 -0.08 0.02 -0.04 1.89 1.54 3hziA1 ILE 305 HG12 -0.46 -0.04 -0.51 -0.04 1.49 0.44 3hziA1 ILE 305 HG13 -0.41 -0.06 -0.22 -0.04 1.21 0.48 3hziA1 ILE 305 HG23 -0.68 0.04 -0.14 -0.04 0.93 0.11 3hziA1 ILE 305 HD13 -1.17 0.01 -0.24 -0.04 0.88 -0.55 3hziA1 GLY 306 H -0.47 0.47 -0.58 -0.55 8.43 7.31 3hziA1 GLY 306 HA2 -0.34 0.12 0.46 -0.51 4.01 3.74 3hziA1 GLY 306 HA3 -0.76 -0.10 0.32 -0.51 4.01 2.96 3hziA1 ALA 307 H -0.31 0.52 0.22 -0.55 8.40 8.28 3hziA1 ALA 307 HA -0.22 0.23 0.86 -0.75 4.34 4.46 3hziA1 ALA 307 HB3 -0.22 -0.04 0.03 -0.04 1.41 1.14 3hziA1 THR 308 H -0.08 0.21 0.11 -0.55 8.28 7.98 3hziA1 THR 308 HA -0.01 0.09 0.96 -0.75 4.39 4.67 3hziA1 THR 308 HB 0.04 -0.02 0.25 -0.04 4.32 4.55 3hziA1 THR 308 HG23 -0.04 0.10 -0.09 -0.04 1.22 1.15 3hziA1 GLN 309 H -0.06 0.14 0.04 -0.55 8.47 8.05 3hziA1 GLN 309 HA 0.15 0.23 0.86 -0.75 4.36 4.85 3hziA1 GLN 309 HB2 -0.17 0.14 0.05 -0.04 2.15 2.13 3hziA1 GLN 309 HB3 0.01 0.01 0.16 -0.04 2.02 2.15 3hziA1 GLN 309 HG2 -0.03 -0.14 -0.10 -0.04 2.40 2.09 3hziA1 GLN 309 HG3 0.00 0.03 -0.05 -0.04 2.39 2.33 3hziA1 GLN 309 HE21 0.11 0.03 -0.02 -0.04 6.97 7.05 3hziA1 GLN 309 HE22 0.14 -0.04 -0.00 -0.04 7.69 7.75 3hziA1 GLY 310 H -0.06 0.01 0.00 -0.55 8.43 7.84 3hziA1 GLY 310 HA2 -0.31 0.19 0.31 -0.51 4.01 3.69 3hziA1 GLY 310 HA3 -0.00 -0.03 0.35 -0.51 4.01 3.82 3hziA1 HIS 311 H -0.96 0.93 0.10 -0.55 8.41 7.93 3hziA1 HIS 311 HA -0.21 0.14 0.63 -0.75 4.63 4.44 3hziA1 HIS 311 HB2 -0.50 -0.07 -0.31 -0.04 3.26 2.34 3hziA1 HIS 311 HB3 -1.44 -0.05 -0.22 -0.04 3.20 1.45 3hziA1 HIS 311 HD2 -0.33 -0.07 -0.00 -0.04 6.97 6.52 3hziA1 HIS 311 HE1 -0.09 0.05 -0.16 -0.04 7.75 7.51 3hziA1 ALA 312 H 0.08 0.50 0.21 -0.55 8.40 8.65 3hziA1 ALA 312 HA 0.24 0.05 0.30 -0.75 4.34 4.18 3hziA1 ALA 312 HB3 0.11 -0.01 -0.05 -0.04 1.41 1.42 3hziA1 LYS 313 H 0.13 0.08 -0.30 -0.55 8.42 7.78 3hziA1 LYS 313 HA 0.06 -0.12 0.18 -0.75 4.32 3.69 3hziA1 LYS 313 HB2 0.11 -0.00 0.03 -0.04 1.87 1.96 3hziA1 LYS 313 HB3 0.08 0.05 0.14 -0.04 1.79 2.03 3hziA1 LYS 313 HG2 -0.01 -0.06 0.01 -0.04 1.46 1.36 3hziA1 LYS 313 HG3 -0.01 -0.04 -0.01 -0.04 1.46 1.36 3hziA1 LYS 313 HD2 -0.06 -0.05 0.03 -0.04 1.69 1.57 3hziA1 LYS 313 HD3 -0.07 0.00 0.03 -0.04 1.68 1.60 3hziA1 LYS 313 HE2 -0.05 0.02 0.04 -0.04 2.99 2.96 3hziA1 LYS 313 HE3 -0.01 -0.01 0.04 -0.04 2.99 2.97 3hziA1 ASN 314 H -0.14 0.53 -0.54 -0.55 8.53 7.84 3hziA1 ASN 314 HA -0.15 0.16 0.95 -0.75 4.76 4.96 3hziA1 ASN 314 HB2 -0.75 0.16 0.10 -0.04 2.88 2.34 3hziA1 ASN 314 HB3 -0.83 -0.04 0.04 -0.04 2.79 1.92 3hziA1 ASN 314 HD21 -0.22 -0.10 0.05 -0.04 7.03 6.72 3hziA1 ASN 314 HD22 -0.45 -0.09 -0.03 -0.04 7.74 7.14 3hziA1 PHE 315 H 0.05 0.47 0.24 -0.55 8.34 8.54 3hziA1 PHE 315 HA 0.01 0.21 0.89 -0.75 4.62 4.98 3hziA1 PHE 315 HB2 0.03 -0.06 0.14 -0.04 3.15 3.22 3hziA1 PHE 315 HB3 0.04 0.02 -0.01 -0.04 3.06 3.07 3hziA1 PHE 315 HD2 0.17 0.03 -0.05 -0.04 7.28 7.38 3hziA1 PHE 315 HE2 -0.03 0.01 -0.12 -0.04 7.38 7.20 3hziA1 PHE 315 HZ 0.19 -0.04 -0.08 -0.04 7.32 7.36 3hziA1 SER 316 H 0.20 0.29 0.15 -0.55 8.46 8.55 3hziA1 SER 316 HA 0.03 0.20 1.12 -0.75 4.49 5.09 3hziA1 SER 316 HB2 0.06 0.01 -0.06 -0.04 3.95 3.92 3hziA1 SER 316 HB3 -0.08 0.05 -0.09 -0.04 3.93 3.77 3hziA1 VAL 317 H -0.03 0.40 0.24 -0.55 8.24 8.30 3hziA1 VAL 317 HA -0.06 0.30 0.98 -0.75 4.13 4.59 3hziA1 VAL 317 HB 0.27 -0.01 -0.10 -0.04 2.12 2.24 3hziA1 VAL 317 HG13 0.29 -0.02 -0.30 -0.04 0.97 0.90 3hziA1 VAL 317 HG23 0.08 0.01 -0.27 -0.04 0.95 0.73 3hziA1 PHE 318 H 0.12 0.47 0.24 -0.55 8.34 8.62 3hziA1 PHE 318 HA 0.06 0.23 0.71 -0.75 4.62 4.87 3hziA1 PHE 318 HB2 0.03 -0.15 0.11 -0.04 3.15 3.10 3hziA1 PHE 318 HB3 0.05 0.05 -0.10 -0.04 3.06 3.02 3hziA1 PHE 318 HD2 0.01 0.11 -0.04 -0.04 7.28 7.33 3hziA1 PHE 318 HE2 0.03 0.02 0.04 -0.04 7.38 7.43 3hziA1 PHE 318 HZ 0.06 0.14 0.12 -0.04 7.32 7.59 3hziA1 ILE 319 H 0.24 0.45 -0.16 -0.55 8.25 8.23 3hziA1 ILE 319 HA 0.20 0.27 0.86 -0.75 4.18 4.76 3hziA1 ILE 319 HB 0.16 -0.06 -0.04 -0.04 1.89 1.91 3hziA1 ILE 319 HG12 0.12 0.00 -0.26 -0.04 1.49 1.31 3hziA1 ILE 319 HG13 0.13 -0.08 -0.31 -0.04 1.21 0.91 3hziA1 ILE 319 HG23 0.14 0.10 -0.20 -0.04 0.93 0.94 3hziA1 ILE 319 HD13 0.10 -0.02 -0.27 -0.04 0.88 0.65 3hziA1 GLN 320 H 0.14 0.37 -0.20 -0.55 8.47 8.24 3hziA1 GLN 320 HA 0.08 0.14 0.55 -0.75 4.36 4.38 3hziA1 GLN 320 HB2 0.03 0.02 -0.07 -0.04 2.15 2.10 3hziA1 GLN 320 HB3 0.02 -0.04 0.05 -0.04 2.02 2.01 3hziA1 GLN 320 HG2 0.08 0.02 -0.34 -0.04 2.40 2.13 3hziA1 GLN 320 HG3 0.10 0.09 -0.45 -0.04 2.39 2.09 3hziA1 GLN 320 HE21 -0.02 -0.02 -0.07 -0.04 6.97 6.81 3hziA1 GLN 320 HE22 -0.02 0.04 -0.07 -0.04 7.69 7.59 3hziA1 ALA 321 H 0.04 0.05 0.11 -0.55 8.40 8.05 3hziA1 ALA 321 HA 0.03 0.31 0.52 -0.75 4.34 4.44 3hziA1 ALA 321 HB3 -0.03 0.01 0.11 -0.04 1.41 1.45 3hziA1 GLY 322 H -0.06 0.72 0.29 -0.55 8.43 8.83 3hziA1 GLY 322 HA2 -0.06 0.01 0.35 -0.51 4.01 3.81 3hziA1 GLY 322 HA3 -0.04 0.02 0.46 -0.51 4.01 3.95 3hziA1 GLY 323 H 0.04 0.26 -0.45 -0.55 8.43 7.74 3hziA1 GLY 323 HA2 0.09 0.00 0.28 -0.51 4.01 3.87 3hziA1 GLY 323 HA3 0.06 0.08 0.67 -0.51 4.01 4.30 3hziA1 SER 324 H 0.05 0.22 -0.30 -0.55 8.46 7.88 3hziA1 SER 324 HA 0.01 0.18 0.52 -0.75 4.49 4.45 3hziA1 SER 324 HB2 0.01 -0.07 -0.04 -0.04 3.95 3.81 3hziA1 SER 324 HB3 -0.07 -0.14 0.09 -0.04 3.93 3.77 3hziA1 TYR 325 H -0.31 0.19 0.21 -0.55 8.29 7.83 3hziA1 TYR 325 HA 0.08 0.31 0.53 -0.75 4.56 4.73 3hziA1 TYR 325 HB2 0.08 -0.07 -0.02 -0.04 3.06 3.01 3hziA1 TYR 325 HB3 0.07 0.20 -0.07 -0.04 2.98 3.15 3hziA1 TYR 325 HD2 -0.06 0.05 -0.40 -0.04 7.15 6.70 3hziA1 TYR 325 HE2 -0.59 0.04 -0.17 -0.04 6.85 6.09 3hziA1 ARG 326 H 0.20 0.34 0.29 -0.55 8.46 8.75 3hziA1 ARG 326 HA -0.03 0.05 0.68 -0.75 4.34 4.29 3hziA1 ARG 326 HB2 0.01 0.03 0.12 -0.04 1.90 2.01 3hziA1 ARG 326 HB3 -0.04 -0.10 -0.05 -0.04 1.80 1.57 3hziA1 ARG 326 HG2 0.17 -0.06 -0.02 -0.04 1.67 1.72 3hziA1 ARG 326 HG3 0.27 0.19 -0.15 -0.04 1.67 1.94 3hziA1 ARG 326 HD2 0.02 -0.07 -0.07 -0.04 3.22 3.06 3hziA1 ARG 326 HD3 0.05 0.01 -0.07 -0.04 3.22 3.17 3hziA1 LEU 327 H -0.03 0.02 0.14 -0.55 8.37 7.96 3hziA1 LEU 327 HA -0.09 0.11 0.47 -0.75 4.35 4.09 3hziA1 LEU 327 HB2 -0.10 -0.15 0.16 -0.04 1.64 1.51 3hziA1 LEU 327 HB3 -0.27 0.14 -0.09 -0.04 1.64 1.38 3hziA1 LEU 327 HG -0.19 0.10 0.03 -0.04 1.64 1.53 3hziA1 LEU 327 HD13 -0.08 -0.02 -0.10 -0.04 0.93 0.70 3hziA1 LEU 327 HD23 -0.03 -0.02 -0.04 -0.04 0.89 0.76 3hziA1 THR 328 H -0.32 0.76 0.44 -0.55 8.28 8.61 3hziA1 THR 328 HA -0.76 0.09 0.70 -0.75 4.39 3.66 3hziA1 THR 328 HB -1.29 0.03 0.04 -0.04 4.32 3.06 3hziA1 THR 328 HG23 -1.13 0.02 -0.47 -0.04 1.22 -0.39 3hziA1 PRO 329 HA -0.40 -0.04 0.36 -0.51 4.44 3.85 3hziA1 PRO 329 HB2 -0.24 0.09 -0.16 -0.04 2.28 1.93 3hziA1 PRO 329 HB3 -0.13 -0.11 -0.28 -0.04 2.02 1.45 3hziA1 PRO 329 HG2 -0.21 0.00 0.01 -0.04 2.03 1.79 3hziA1 PRO 329 HG3 -0.16 0.00 0.04 -0.04 2.03 1.87 3hziA1 PRO 329 HD2 -2.41 0.07 0.08 -0.04 3.68 1.38 3hziA1 PRO 329 HD3 -0.64 0.12 0.21 -0.04 3.65 3.30 3hziA1 PHE 330 H -0.19 0.53 0.41 -0.55 8.34 8.53 3hziA1 PHE 330 HA -0.17 0.05 0.54 -0.75 4.62 4.28 3hziA1 PHE 330 HB2 -0.19 -0.01 0.01 -0.04 3.15 2.93 3hziA1 PHE 330 HB3 -0.54 -0.02 0.06 -0.04 3.06 2.52 3hziA1 PHE 330 HD2 -0.20 0.00 0.04 -0.04 7.28 7.09 3hziA1 PHE 330 HE2 0.02 -0.04 -0.02 -0.04 7.38 7.30 3hziA1 PHE 330 HZ 0.02 -0.06 -0.28 -0.04 7.32 6.96 3hziA1 TYR 331 H -0.30 0.32 0.23 -0.55 8.29 8.00 3hziA1 TYR 331 HA 0.15 0.11 0.65 -0.75 4.56 4.72 3hziA1 TYR 331 HB2 0.15 -0.14 0.07 -0.04 3.06 3.11 3hziA1 TYR 331 HB3 0.43 0.13 -0.17 -0.04 2.98 3.32 3hziA1 TYR 331 HD2 0.05 0.14 -0.13 -0.04 7.15 7.17 3hziA1 TYR 331 HE2 0.01 -0.11 -0.08 -0.04 6.85 6.62 3hziA1 ASP 332 H 0.24 0.13 0.06 -0.55 8.40 8.29 3hziA1 ASP 332 HA 0.11 -0.03 0.30 -0.75 4.63 4.25 3hziA1 ASP 332 HB2 0.15 0.01 0.02 -0.04 2.71 2.85 3hziA1 ASP 332 HB3 0.07 0.10 -0.25 -0.04 2.70 2.57 3hziA1 ILE 333 H 0.10 0.17 -0.09 -0.55 8.25 7.88 3hziA1 ILE 333 HA 0.04 0.18 0.88 -0.75 4.18 4.53 3hziA1 ILE 333 HB 0.15 -0.02 -0.10 -0.04 1.89 1.89 3hziA1 ILE 333 HG12 0.38 0.02 -0.26 -0.04 1.49 1.59 3hziA1 ILE 333 HG13 0.16 -0.04 -0.82 -0.04 1.21 0.46 3hziA1 ILE 333 HG23 0.11 -0.00 -0.24 -0.04 0.93 0.76 3hziA1 ILE 333 HD13 0.28 0.02 -0.28 -0.04 0.88 0.86 3hziA1 ILE 334 H -0.02 0.20 0.06 -0.55 8.25 7.94 3hziA1 ILE 334 HA 0.04 0.21 0.90 -0.75 4.18 4.56 3hziA1 ILE 334 HB 0.02 -0.02 -0.17 -0.04 1.89 1.68 3hziA1 ILE 334 HG12 0.03 -0.02 -0.06 -0.04 1.49 1.40 3hziA1 ILE 334 HG13 0.06 0.05 -0.12 -0.04 1.21 1.16 3hziA1 ILE 334 HG23 -0.01 -0.00 -0.25 -0.04 0.93 0.63 3hziA1 ILE 334 HD13 0.03 -0.00 -0.06 -0.04 0.88 0.80 3hziA1 SER 335 H -0.00 0.14 0.06 -0.55 8.46 8.12 3hziA1 SER 335 HA -0.23 0.28 0.59 -0.75 4.49 4.37 3hziA1 SER 335 HB2 -0.08 0.10 0.09 -0.04 3.95 4.01 3hziA1 SER 335 HB3 -0.01 -0.08 0.23 -0.04 3.93 4.02 3hziA1 ALA 336 H -0.30 0.79 0.40 -0.55 8.40 8.75 3hziA1 ALA 336 HA -0.05 0.02 0.56 -0.75 4.34 4.11 3hziA1 ALA 336 HB3 -0.11 0.00 0.12 -0.04 1.41 1.39 3hziA1 PHE 337 H 0.02 0.37 -0.46 -0.55 8.34 7.72 3hziA1 PHE 337 HA -0.08 0.18 0.93 -0.75 4.62 4.90 3hziA1 PHE 337 HB2 -0.09 -0.00 0.02 -0.04 3.15 3.03 3hziA1 PHE 337 HB3 -0.09 0.06 -0.14 -0.04 3.06 2.84 3hziA1 PHE 337 HD2 -0.12 -0.01 0.07 -0.04 7.28 7.18 3hziA1 PHE 337 HE2 -0.19 0.03 -0.05 -0.04 7.38 7.13 3hziA1 PHE 337 HZ -0.28 0.07 -0.19 -0.04 7.32 6.88 3hziA1 PRO 338 HA 0.01 0.06 0.38 -0.51 4.44 4.39 3hziA1 PRO 338 HB2 0.01 0.03 0.02 -0.04 2.28 2.30 3hziA1 PRO 338 HB3 0.00 -0.05 0.12 -0.04 2.02 2.05 3hziA1 PRO 338 HG2 0.01 -0.00 0.12 -0.04 2.03 2.12 3hziA1 PRO 338 HG3 0.01 0.06 0.10 -0.04 2.03 2.16 3hziA1 PRO 338 HD2 0.04 0.35 0.25 -0.04 3.68 4.27 3hziA1 PRO 338 HD3 0.13 0.18 0.11 -0.04 3.65 4.02 3hziA1 VAL 339 H 0.06 -0.02 -1.35 -0.55 8.24 6.38 3hziA1 VAL 339 HA 0.02 0.12 0.56 -0.75 4.13 4.08 3hziA1 VAL 339 HB 0.03 0.07 -0.19 -0.04 2.12 1.99 3hziA1 VAL 339 HG13 0.02 -0.01 0.02 -0.04 0.97 0.96 3hziA1 VAL 339 HG23 0.01 -0.01 -0.16 -0.04 0.95 0.74 3hziA1 LEU 340 H 0.03 0.47 -0.13 -0.55 8.37 8.19 3hziA1 LEU 340 HA 0.09 0.36 0.73 -0.75 4.35 4.77 3hziA1 LEU 340 HB2 -0.06 0.02 0.08 -0.04 1.64 1.65 3hziA1 LEU 340 HB3 -0.05 -0.09 0.18 -0.04 1.64 1.64 3hziA1 LEU 340 HG 0.07 0.12 0.03 -0.04 1.64 1.82 3hziA1 LEU 340 HD13 -0.18 -0.02 0.09 -0.04 0.93 0.78 3hziA1 LEU 340 HD23 0.04 -0.04 -0.25 -0.04 0.89 0.60 3hziA1 GLY 341 H 0.27 0.31 0.14 -0.55 8.43 8.60 3hziA1 GLY 341 HA2 0.10 0.00 0.38 -0.51 4.01 3.99 3hziA1 GLY 341 HA3 0.05 0.05 0.59 -0.51 4.01 4.19 3hziA1 GLY 342 H 0.02 0.30 0.12 -0.55 8.43 8.31 3hziA1 GLY 342 HA2 -0.00 -0.04 0.33 -0.51 4.01 3.79 3hziA1 GLY 342 HA3 0.00 0.01 0.25 -0.51 4.01 3.77 3hziA1 THR 343 H 0.02 0.07 -0.63 -0.55 8.28 7.19 3hziA1 THR 343 HA -0.01 0.17 0.83 -0.75 4.39 4.63 3hziA1 THR 343 HB -0.00 -0.22 0.19 -0.04 4.32 4.25 3hziA1 THR 343 HG23 -0.00 0.01 -0.09 -0.04 1.22 1.09 3hziA1 GLY 344 H -0.01 0.11 0.15 -0.55 8.43 8.12 3hziA1 GLY 344 HA2 -0.07 0.13 0.42 -0.51 4.01 3.98 3hziA1 GLY 344 HA3 -0.03 -0.02 0.33 -0.51 4.01 3.78 3hziA1 ILE 345 H 0.01 -0.03 -0.21 -0.55 8.25 7.48 3hziA1 ILE 345 HA 0.05 -0.05 0.33 -0.75 4.18 3.76 3hziA1 ILE 345 HB 0.05 0.13 0.08 -0.04 1.89 2.11 3hziA1 ILE 345 HG12 0.02 0.07 0.01 -0.04 1.49 1.54 3hziA1 ILE 345 HG13 0.02 -0.00 0.02 -0.04 1.21 1.20 3hziA1 ILE 345 HG23 0.05 -0.04 -0.30 -0.04 0.93 0.60 3hziA1 ILE 345 HD13 0.01 -0.04 0.06 -0.04 0.88 0.86 3hziA1 HIS 346 H 0.12 0.12 0.27 -0.55 8.41 8.37 3hziA1 HIS 346 HA -0.00 0.21 0.98 -0.75 4.63 5.06 3hziA1 HIS 346 HB2 -0.00 0.18 0.08 -0.04 3.26 3.48 3hziA1 HIS 346 HB3 -0.00 -0.16 0.06 -0.04 3.20 3.05 3hziA1 HIS 346 HD2 -0.01 -0.03 0.03 -0.04 6.97 6.92 3hziA1 HIS 346 HE1 -0.03 -0.01 0.07 -0.04 7.75 7.74 3hziA1 ILE 347 H -0.24 0.25 0.19 -0.55 8.25 7.89 3hziA1 ILE 347 HA 0.03 0.10 0.38 -0.75 4.18 3.93 3hziA1 ILE 347 HB -0.18 0.06 0.19 -0.04 1.89 1.91 3hziA1 ILE 347 HG12 -0.09 0.08 0.03 -0.04 1.49 1.47 3hziA1 ILE 347 HG13 -0.01 -0.11 0.05 -0.04 1.21 1.11 3hziA1 ILE 347 HG23 -0.12 0.01 -0.05 -0.04 0.93 0.72 3hziA1 ILE 347 HD13 0.13 0.02 0.07 -0.04 0.88 1.06 3hziA1 SER 348 H 0.06 -0.01 -0.84 -0.55 8.46 7.12 3hziA1 SER 348 HA 0.05 0.05 0.60 -0.75 4.49 4.43 3hziA1 SER 348 HB2 0.05 0.02 0.05 -0.04 3.95 4.03 3hziA1 SER 348 HB3 0.06 -0.01 0.02 -0.04 3.93 3.96 3hziA1 ASP 349 H 0.06 1.19 0.28 -0.55 8.40 9.38 3hziA1 ASP 349 HA 0.03 0.10 0.63 -0.75 4.63 4.64 3hziA1 ASP 349 HB2 0.04 0.01 0.06 -0.04 2.71 2.78 3hziA1 ASP 349 HB3 0.02 -0.00 0.07 -0.04 2.70 2.75 3hziA1 LEU 350 H 0.04 0.07 -0.24 -0.55 8.37 7.69 3hziA1 LEU 350 HA 0.01 0.04 0.46 -0.75 4.35 4.11 3hziA1 LEU 350 HB2 0.04 0.05 0.13 -0.04 1.64 1.82 3hziA1 LEU 350 HB3 -0.00 0.07 -0.03 -0.04 1.64 1.64 3hziA1 LEU 350 HG 0.05 -0.16 -0.14 -0.04 1.64 1.35 3hziA1 LEU 350 HD13 0.15 0.02 0.03 -0.04 0.93 1.09 3hziA1 LEU 350 HD23 0.01 0.01 -0.06 -0.04 0.89 0.82 3hziA1 LYS 351 H 0.01 0.18 0.22 -0.55 8.42 8.28 3hziA1 LYS 351 HA 0.03 0.11 1.01 -0.75 4.32 4.72 3hziA1 LYS 351 HB2 0.02 -0.07 -0.01 -0.04 1.87 1.77 3hziA1 LYS 351 HB3 0.02 0.12 0.09 -0.04 1.79 1.98 3hziA1 LYS 351 HG2 0.01 0.18 -0.20 -0.04 1.46 1.41 3hziA1 LYS 351 HG3 0.01 -0.06 -0.07 -0.04 1.46 1.30 3hziA1 LYS 351 HD2 0.02 -0.04 -0.20 -0.04 1.69 1.43 3hziA1 LYS 351 HD3 0.03 0.19 -0.26 -0.04 1.68 1.61 3hziA1 LYS 351 HE2 0.03 -0.02 -0.07 -0.04 2.99 2.89 3hziA1 LYS 351 HE3 0.02 0.09 -0.16 -0.04 2.99 2.89 3hziA1 LEU 352 H 0.03 0.40 0.10 -0.55 8.37 8.35 3hziA1 LEU 352 HA 0.02 0.15 0.70 -0.75 4.35 4.46 3hziA1 LEU 352 HB2 0.01 -0.02 0.02 -0.04 1.64 1.60 3hziA1 LEU 352 HB3 0.01 0.03 -0.10 -0.04 1.64 1.54 3hziA1 LEU 352 HG 0.10 -0.06 -0.15 -0.04 1.64 1.48 3hziA1 LEU 352 HD13 0.02 -0.00 -0.09 -0.04 0.93 0.81 3hziA1 LEU 352 HD23 0.02 0.03 -0.10 -0.04 0.89 0.80 3hziA1 ALA 353 H 0.06 0.10 0.12 -0.55 8.40 8.14 3hziA1 ALA 353 HA 0.21 0.03 0.18 -0.75 4.34 4.01 3hziA1 ALA 353 HB3 0.10 -0.01 -0.14 -0.04 1.41 1.32 3hziA1 MET 354 H 0.07 0.04 -0.23 -0.55 8.47 7.81 3hziA1 MET 354 HA 0.08 0.12 0.97 -0.75 4.52 4.93 3hziA1 MET 354 HB2 0.09 -0.00 0.11 -0.04 2.15 2.30 3hziA1 MET 354 HB3 0.09 -0.19 0.03 -0.04 2.03 1.92 3hziA1 MET 354 HG2 0.14 0.07 0.09 -0.04 2.63 2.89 3hziA1 MET 354 HG3 0.17 0.21 -0.01 -0.04 2.56 2.89 3hziA1 MET 354 HE3 0.41 0.09 -0.17 -0.04 2.10 2.40 3hziA1 GLY 355 H 0.02 0.08 0.12 -0.55 8.43 8.11 3hziA1 GLY 355 HA2 -0.04 0.10 0.43 -0.51 4.01 3.98 3hziA1 GLY 355 HA3 -0.03 0.05 0.26 -0.51 4.01 3.79 3hziA1 LEU 356 H -0.14 0.28 0.22 -0.55 8.37 8.18 3hziA1 LEU 356 HA -0.10 0.02 0.76 -0.75 4.35 4.28 3hziA1 LEU 356 HB2 -0.28 0.15 0.03 -0.04 1.64 1.50 3hziA1 LEU 356 HB3 -0.27 -0.04 0.11 -0.04 1.64 1.40 3hziA1 LEU 356 HG -0.31 0.08 0.04 -0.04 1.64 1.41 3hziA1 LEU 356 HD13 -1.14 -0.01 -0.16 -0.04 0.93 -0.43 3hziA1 LEU 356 HD23 -0.30 0.00 -0.03 -0.04 0.89 0.52 3hziA1 ASN 357 H -0.09 0.02 0.22 -0.55 8.53 8.14 3hziA1 ASN 357 HA -0.08 0.12 0.57 -0.75 4.76 4.61 3hziA1 ASN 357 HB2 -0.04 -0.07 0.05 -0.04 2.88 2.78 3hziA1 ASN 357 HB3 -0.05 0.14 0.16 -0.04 2.79 3.00 3hziA1 ASN 357 HD21 -0.01 -0.03 0.04 -0.04 7.03 6.99 3hziA1 ASN 357 HD22 -0.02 0.08 0.07 -0.04 7.74 7.83 3hziA1 ALA 358 H -0.09 0.56 0.22 -0.55 8.40 8.53 3hziA1 ALA 358 HA -0.19 0.15 0.54 -0.75 4.34 4.09 3hziA1 ALA 358 HB3 -0.29 -0.03 -0.08 -0.04 1.41 0.97 3hziA1 SER 359 H -0.09 0.08 0.12 -0.55 8.46 8.02 3hziA1 SER 359 HA -0.03 0.28 0.85 -0.75 4.49 4.84 3hziA1 SER 359 HB2 -0.02 -0.06 0.14 -0.04 3.95 3.97 3hziA1 SER 359 HB3 -0.01 0.06 0.02 -0.04 3.93 3.95 3hziA1 LYS 360 H -0.05 0.03 0.07 -0.55 8.42 7.91 3hziA1 LYS 360 HA -0.02 0.13 0.35 -0.75 4.32 4.02 3hziA1 LYS 360 HB2 -0.04 -0.04 -0.04 -0.04 1.87 1.70 3hziA1 LYS 360 HB3 -0.02 0.06 0.13 -0.04 1.79 1.92 3hziA1 LYS 360 HG2 -0.01 0.06 0.04 -0.04 1.46 1.51 3hziA1 LYS 360 HG3 -0.02 -0.11 0.09 -0.04 1.46 1.38 3hziA1 LYS 360 HD2 -0.00 0.04 0.02 -0.04 1.69 1.71 3hziA1 LYS 360 HD3 -0.02 -0.04 0.01 -0.04 1.68 1.59 3hziA1 LYS 360 HE2 0.00 0.03 -0.00 -0.04 2.99 2.97 3hziA1 LYS 360 HE3 -0.02 -0.01 -0.02 -0.04 2.99 2.90 3hziA1 GLY 361 H -0.05 0.05 -1.48 -0.55 8.43 6.40 3hziA1 GLY 361 HA2 -0.03 0.09 0.21 -0.51 4.01 3.77 3hziA1 GLY 361 HA3 -0.03 0.15 0.72 -0.51 4.01 4.34 3hziA1 LYS 362 H -0.05 0.23 -0.20 -0.55 8.42 7.84 3hziA1 LYS 362 HA -0.10 -0.04 0.65 -0.75 4.32 4.08 3hziA1 LYS 362 HB2 -0.04 -0.05 -0.06 -0.04 1.87 1.68 3hziA1 LYS 362 HB3 -0.05 0.11 -0.14 -0.04 1.79 1.66 3hziA1 LYS 362 HG2 -0.05 -0.05 -0.11 -0.04 1.46 1.21 3hziA1 LYS 362 HG3 -0.04 0.16 -0.36 -0.04 1.46 1.17 3hziA1 LYS 362 HD2 -0.02 -0.02 -0.08 -0.04 1.69 1.52 3hziA1 LYS 362 HD3 -0.02 -0.01 -0.12 -0.04 1.68 1.48 3hziA1 LYS 362 HE2 -0.02 0.00 -0.12 -0.04 2.99 2.81 3hziA1 LYS 362 HE3 -0.02 0.04 -0.15 -0.04 2.99 2.82 3hziA1 LYS 363 H -0.20 0.05 -0.17 -0.55 8.42 7.55 3hziA1 LYS 363 HA -0.08 -0.02 0.35 -0.75 4.32 3.81 3hziA1 LYS 363 HB2 -0.33 0.09 -0.00 -0.04 1.87 1.59 3hziA1 LYS 363 HB3 -0.08 -0.00 -0.05 -0.04 1.79 1.61 3hziA1 LYS 363 HG2 -0.33 -0.16 -0.03 -0.04 1.46 0.91 3hziA1 LYS 363 HG3 -0.99 0.04 0.01 -0.04 1.46 0.48 3hziA1 LYS 363 HD2 0.07 0.11 -0.04 -0.04 1.69 1.79 3hziA1 LYS 363 HD3 -0.04 -0.02 0.00 -0.04 1.68 1.58 3hziA1 LYS 363 HE2 0.00 0.06 -0.02 -0.04 2.99 3.00 3hziA1 LYS 363 HE3 -0.07 -0.09 -0.07 -0.04 2.99 2.72 3hziA1 THR 364 H -0.02 0.06 0.17 -0.55 8.28 7.95 3hziA1 THR 364 HA -0.03 0.18 0.78 -0.75 4.39 4.57 3hziA1 THR 364 HB -0.02 0.10 -0.13 -0.04 4.32 4.24 3hziA1 THR 364 HG23 0.00 -0.00 -0.08 -0.04 1.22 1.10 3hziA1 ALA 365 H 0.04 0.08 0.04 -0.55 8.40 8.01 3hziA1 ALA 365 HA 0.05 0.35 1.15 -0.75 4.34 5.14 3hziA1 ALA 365 HB3 0.06 0.02 0.07 -0.04 1.41 1.52 3hziA1 ILE 366 H 0.09 0.37 0.07 -0.55 8.25 8.23 3hziA1 ILE 366 HA 0.34 0.02 0.29 -0.75 4.18 4.08 3hziA1 ILE 366 HB 0.05 0.03 0.14 -0.04 1.89 2.08 3hziA1 ILE 366 HG12 0.08 -0.11 -0.15 -0.04 1.49 1.26 3hziA1 ILE 366 HG13 -0.02 0.01 -0.11 -0.04 1.21 1.06 3hziA1 ILE 366 HG23 -0.11 0.02 -0.18 -0.04 0.93 0.62 3hziA1 ILE 366 HD13 0.10 0.07 0.03 -0.04 0.88 1.04 3hziA1 ASP 367 H 0.08 0.29 -0.01 -0.55 8.40 8.21 3hziA1 ASP 367 HA 0.03 0.10 0.36 -0.75 4.63 4.37 3hziA1 ASP 367 HB2 0.03 0.23 -0.08 -0.04 2.71 2.85 3hziA1 ASP 367 HB3 0.07 -0.05 -0.03 -0.04 2.70 2.65 3hziA1 LYS 368 H 0.14 0.08 -0.29 -0.55 8.42 7.80 3hziA1 LYS 368 HA 0.23 0.08 0.46 -0.75 4.32 4.34 3hziA1 LYS 368 HB2 0.13 -0.01 0.08 -0.04 1.87 2.03 3hziA1 LYS 368 HB3 0.18 -0.07 0.04 -0.04 1.79 1.90 3hziA1 LYS 368 HG2 0.10 -0.01 -0.02 -0.04 1.46 1.49 3hziA1 LYS 368 HG3 0.08 -0.02 0.02 -0.04 1.46 1.50 3hziA1 LYS 368 HD2 0.09 -0.05 0.04 -0.04 1.69 1.73 3hziA1 LYS 368 HD3 0.10 0.05 0.04 -0.04 1.68 1.84 3hziA1 LYS 368 HE2 0.06 0.01 -0.01 -0.04 2.99 3.01 3hziA1 LYS 368 HE3 0.05 -0.01 0.00 -0.04 2.99 2.99 3hziA1 ILE 369 H 0.26 0.40 -0.44 -0.55 8.25 7.91 3hziA1 ILE 369 HA 0.28 -0.09 0.61 -0.75 4.18 4.23 3hziA1 ILE 369 HB 0.43 0.30 0.15 -0.04 1.89 2.73 3hziA1 ILE 369 HG12 0.19 -0.11 -0.11 -0.04 1.49 1.43 3hziA1 ILE 369 HG13 0.15 0.21 -0.12 -0.04 1.21 1.41 3hziA1 ILE 369 HG23 -0.38 -0.04 -0.31 -0.04 0.93 0.15 3hziA1 ILE 369 HD13 -0.09 -0.03 -0.33 -0.04 0.88 0.39 3hziA1 TYR 370 H -0.44 0.06 0.22 -0.55 8.29 7.59 3hziA1 TYR 370 HA 0.08 0.35 0.88 -0.75 4.56 5.12 3hziA1 TYR 370 HB2 -0.32 -0.10 0.08 -0.04 3.06 2.68 3hziA1 TYR 370 HB3 -0.07 -0.03 0.05 -0.04 2.98 2.88 3hziA1 TYR 370 HD2 -0.01 -0.02 -0.32 -0.04 7.15 6.76 3hziA1 TYR 370 HE2 0.05 0.03 -0.04 -0.04 6.85 6.84 3hziA1 PRO 371 HA -0.07 0.04 0.37 -0.51 4.44 4.27 3hziA1 PRO 371 HB2 0.12 -0.00 0.07 -0.04 2.28 2.43 3hziA1 PRO 371 HB3 -0.01 0.04 0.05 -0.04 2.02 2.06 3hziA1 PRO 371 HG2 0.10 0.22 -0.09 -0.04 2.03 2.22 3hziA1 PRO 371 HG3 -0.04 0.06 0.04 -0.04 2.03 2.05 3hziA1 PRO 371 HD2 0.16 0.13 0.17 -0.04 3.68 4.10 3hziA1 PRO 371 HD3 0.09 0.25 0.17 -0.04 3.65 4.12 3hziA1 ARG 372 H 0.07 0.14 -0.34 -0.55 8.46 7.78 3hziA1 ARG 372 HA 0.09 0.03 0.31 -0.75 4.34 4.02 3hziA1 ARG 372 HB2 0.07 0.00 0.01 -0.04 1.90 1.94 3hziA1 ARG 372 HB3 0.06 0.05 0.07 -0.04 1.80 1.93 3hziA1 ARG 372 HG2 -0.12 -0.05 -0.02 -0.04 1.67 1.44 3hziA1 ARG 372 HG3 0.05 0.00 -0.08 -0.04 1.67 1.60 3hziA1 ARG 372 HD2 0.02 -0.00 -0.02 -0.04 3.22 3.18 3hziA1 ARG 372 HD3 -0.06 0.05 0.00 -0.04 3.22 3.17 3hziA1 HIS 373 H -0.07 0.64 -0.07 -0.55 8.41 8.37 3hziA1 HIS 373 HA -0.06 -0.00 0.46 -0.75 4.63 4.27 3hziA1 HIS 373 HB2 -0.25 0.11 0.10 -0.04 3.26 3.18 3hziA1 HIS 373 HB3 -0.25 0.05 0.02 -0.04 3.20 2.98 3hziA1 HIS 373 HD2 -0.01 -0.04 -0.04 -0.04 6.97 6.83 3hziA1 HIS 373 HE1 0.05 0.18 0.02 -0.04 7.75 7.95 3hziA1 PHE 374 H 0.09 0.42 -0.14 -0.55 8.34 8.16 3hziA1 PHE 374 HA -0.10 0.03 0.53 -0.75 4.62 4.32 3hziA1 PHE 374 HB2 -0.19 0.17 0.18 -0.04 3.15 3.27 3hziA1 PHE 374 HB3 -0.13 -0.02 -0.01 -0.04 3.06 2.85 3hziA1 PHE 374 HD2 -0.38 -0.01 -0.06 -0.04 7.28 6.79 3hziA1 PHE 374 HE2 -1.15 0.01 -0.20 -0.04 7.38 6.01 3hziA1 PHE 374 HZ -0.43 0.06 -0.13 -0.04 7.32 6.77 3hziA1 LEU 375 H 0.11 0.44 -0.04 -0.55 8.37 8.33 3hziA1 LEU 375 HA 0.04 0.00 0.28 -0.75 4.35 3.92 3hziA1 LEU 375 HB2 0.06 0.09 0.06 -0.04 1.64 1.81 3hziA1 LEU 375 HB3 0.00 -0.01 -0.00 -0.04 1.64 1.59 3hziA1 LEU 375 HG -0.03 -0.03 -0.05 -0.04 1.64 1.49 3hziA1 LEU 375 HD13 0.14 0.01 -0.10 -0.04 0.93 0.93 3hziA1 LEU 375 HD23 -0.38 -0.00 -0.00 -0.04 0.89 0.46 3hziA1 ALA 376 H 0.04 0.27 -0.80 -0.55 8.40 7.37 3hziA1 ALA 376 HA 0.03 0.05 0.42 -0.75 4.34 4.09 3hziA1 ALA 376 HB3 0.01 0.07 0.02 -0.04 1.41 1.47 3hziA1 THR 377 H -0.01 0.52 0.08 -0.55 8.28 8.33 3hziA1 THR 377 HA -0.00 -0.02 0.56 -0.75 4.39 4.18 3hziA1 THR 377 HB 0.00 0.14 0.26 -0.04 4.32 4.68 3hziA1 THR 377 HG23 -0.02 -0.01 0.13 -0.04 1.22 1.28 3hziA1 ALA 378 H 0.08 0.88 0.04 -0.55 8.40 8.85 3hziA1 ALA 378 HA 0.20 -0.03 0.32 -0.75 4.34 4.08 3hziA1 ALA 378 HB3 0.23 0.01 -0.01 -0.04 1.41 1.60 3hziA1 LYS 379 H 0.05 0.14 -1.36 -0.55 8.42 6.70 3hziA1 LYS 379 HA 0.05 0.09 0.72 -0.75 4.32 4.42 3hziA1 LYS 379 HB2 0.03 0.34 0.26 -0.04 1.87 2.46 3hziA1 LYS 379 HB3 0.03 -0.00 0.05 -0.04 1.79 1.83 3hziA1 LYS 379 HG2 0.02 -0.05 0.04 -0.04 1.46 1.43 3hziA1 LYS 379 HG3 0.03 -0.06 0.03 -0.04 1.46 1.42 3hziA1 LYS 379 HD2 0.02 -0.00 -0.02 -0.04 1.69 1.65 3hziA1 LYS 379 HD3 0.03 -0.01 0.10 -0.04 1.68 1.76 3hziA1 LYS 379 HE2 0.02 -0.04 0.02 -0.04 2.99 2.96 3hziA1 LYS 379 HE3 0.02 -0.01 0.01 -0.04 2.99 2.97 3hziA1 VAL 380 H 0.04 0.30 0.13 -0.55 8.24 8.16 3hziA1 VAL 380 HA 0.03 0.12 0.61 -0.75 4.13 4.13 3hziA1 VAL 380 HB 0.02 -0.02 0.06 -0.04 2.12 2.14 3hziA1 VAL 380 HG13 0.01 0.04 0.07 -0.04 0.97 1.05 3hziA1 VAL 380 HG23 0.02 0.00 0.25 -0.04 0.95 1.18 3hziA1 LEU 381 H 0.06 0.44 0.11 -0.55 8.37 8.43 3hziA1 LEU 381 HA 0.06 0.06 0.33 -0.75 4.35 4.05 3hziA1 LEU 381 HB2 0.11 -0.03 -0.03 -0.04 1.64 1.65 3hziA1 LEU 381 HB3 0.08 0.03 0.07 -0.04 1.64 1.78 3hziA1 LEU 381 HG 0.05 0.07 0.18 -0.04 1.64 1.90 3hziA1 LEU 381 HD13 0.04 -0.02 -0.09 -0.04 0.93 0.83 3hziA1 LEU 381 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.87 3hziA1 ARG 382 H 0.08 0.11 -1.32 -0.55 8.46 6.78 3hziA1 ARG 382 HA 0.06 0.09 0.10 -0.75 4.34 3.83 3hziA1 ARG 382 HB2 0.06 0.04 -0.50 -0.04 1.90 1.45 3hziA1 ARG 382 HB3 0.07 -0.01 0.11 -0.04 1.80 1.92 3hziA1 ARG 382 HG2 0.03 -0.08 0.06 -0.04 1.67 1.64 3hziA1 ARG 382 HG3 0.04 0.04 0.04 -0.04 1.67 1.74 3hziA1 ARG 382 HD2 0.03 -0.02 -0.02 -0.04 3.22 3.17 3hziA1 ARG 382 HD3 0.02 -0.07 0.01 -0.04 3.22 3.14 3hziA1 PHE 383 H 0.25 -0.02 -0.58 -0.55 8.34 7.44 3hziA1 PHE 383 HA 0.06 0.09 0.41 -0.75 4.62 4.42 3hziA1 PHE 383 HB2 0.07 0.03 -0.03 -0.04 3.15 3.17 3hziA1 PHE 383 HB3 0.05 -0.05 0.08 -0.04 3.06 3.10 3hziA1 PHE 383 HD2 0.07 -0.02 -0.07 -0.04 7.28 7.22 3hziA1 PHE 383 HE2 0.13 -0.03 -0.15 -0.04 7.38 7.29 3hziA1 PHE 383 HZ 0.27 0.02 -0.04 -0.04 7.32 7.53 3hziA1 PRO 384 HA -0.12 0.01 0.39 -0.51 4.44 4.22 3hziA1 PRO 384 HB2 -0.38 -0.09 0.16 -0.04 2.28 1.92 3hziA1 PRO 384 HB3 -0.15 -0.01 0.12 -0.04 2.02 1.94 3hziA1 PRO 384 HG2 -0.14 0.04 0.11 -0.04 2.03 1.99 3hziA1 PRO 384 HG3 -0.09 0.10 0.16 -0.04 2.03 2.16 3hziA1 PRO 384 HD2 -0.64 0.06 0.11 -0.04 3.68 3.18 3hziA1 PRO 384 HD3 -0.02 0.26 0.29 -0.04 3.65 4.13 3hziA1 GLU 385 H -0.06 0.19 0.16 -0.55 8.60 8.34 3hziA1 GLU 385 HA -0.10 0.14 0.42 -0.75 4.29 4.00 3hziA1 GLU 385 HB2 -0.01 0.13 0.14 -0.04 2.09 2.30 3hziA1 GLU 385 HB3 0.02 -0.06 0.13 -0.04 1.99 2.04 3hziA1 GLU 385 HG2 -0.19 -0.07 -0.10 -0.04 2.34 1.94 3hziA1 GLU 385 HG3 -0.15 0.05 0.05 -0.04 2.34 2.25 3hziA1 VAL 386 H -0.03 0.08 -0.33 -0.55 8.24 7.42 3hziA1 VAL 386 HA 0.21 0.08 0.33 -0.75 4.13 4.00 3hziA1 VAL 386 HB 0.05 0.04 0.06 -0.04 2.12 2.23 3hziA1 VAL 386 HG13 -0.03 -0.01 0.02 -0.04 0.97 0.92 3hziA1 VAL 386 HG23 0.01 0.02 -0.14 -0.04 0.95 0.80 3hziA1 GLN 387 H -0.16 0.33 -0.36 -0.55 8.47 7.73 3hziA1 GLN 387 HA 0.05 0.07 0.57 -0.75 4.36 4.30 3hziA1 GLN 387 HB2 -0.39 -0.03 0.11 -0.04 2.15 1.80 3hziA1 GLN 387 HB3 -0.58 0.06 -0.08 -0.04 2.02 1.37 3hziA1 GLN 387 HG2 0.32 0.02 0.02 -0.04 2.40 2.72 3hziA1 GLN 387 HG3 -0.07 -0.03 0.04 -0.04 2.39 2.29 3hziA1 GLN 387 HE21 -0.00 0.03 0.02 -0.04 6.97 6.98 3hziA1 GLN 387 HE22 -0.67 0.02 -0.02 -0.04 7.69 6.97 3hziA1 MET 388 H -0.10 0.44 -0.12 -0.55 8.47 8.14 3hziA1 MET 388 HA 0.19 0.06 0.38 -0.75 4.52 4.40 3hziA1 MET 388 HB2 0.18 0.07 0.03 -0.04 2.15 2.39 3hziA1 MET 388 HB3 -0.09 0.12 0.11 -0.04 2.03 2.13 3hziA1 MET 388 HG2 0.03 -0.05 -0.16 -0.04 2.63 2.40 3hziA1 MET 388 HG3 -0.03 -0.04 -0.11 -0.04 2.56 2.34 3hziA1 MET 388 HE3 -0.20 -0.00 -0.06 -0.04 2.10 1.79 3hziA1 HIS 389 H 0.07 0.51 -0.17 -0.55 8.41 8.27 3hziA1 HIS 389 HA 0.29 0.01 0.34 -0.75 4.63 4.52 3hziA1 HIS 389 HB2 0.08 0.13 0.15 -0.04 3.26 3.58 3hziA1 HIS 389 HB3 0.15 -0.01 0.01 -0.04 3.20 3.31 3hziA1 HIS 389 HD2 0.04 -0.09 -0.23 -0.04 6.97 6.64 3hziA1 HIS 389 HE1 0.09 -0.01 -0.03 -0.04 7.75 7.76 3hziA1 GLU 390 H 0.16 0.26 -0.41 -0.55 8.60 8.07 3hziA1 GLU 390 HA 0.13 0.01 0.38 -0.75 4.29 4.06 3hziA1 GLU 390 HB2 0.09 0.01 0.13 -0.04 2.09 2.27 3hziA1 GLU 390 HB3 0.15 0.15 0.15 -0.04 1.99 2.40 3hziA1 GLU 390 HG2 0.11 0.03 -0.27 -0.04 2.34 2.17 3hziA1 GLU 390 HG3 0.06 -0.04 0.06 -0.04 2.34 2.38 3hziA1 ILE 391 H 0.07 0.35 -0.27 -0.55 8.25 7.85 3hziA1 ILE 391 HA -0.15 0.10 0.57 -0.75 4.18 3.95 3hziA1 ILE 391 HB -0.05 0.06 0.13 -0.04 1.89 1.99 3hziA1 ILE 391 HG12 -0.34 0.01 0.05 -0.04 1.49 1.17 3hziA1 ILE 391 HG13 0.00 0.15 0.06 -0.04 1.21 1.39 3hziA1 ILE 391 HG23 -0.12 -0.01 -0.07 -0.04 0.93 0.69 3hziA1 ILE 391 HD13 -0.50 -0.03 0.01 -0.04 0.88 0.33 3hziA1 LEU 392 H -0.08 0.45 -0.17 -0.55 8.37 8.02 3hziA1 LEU 392 HA -0.13 0.07 0.58 -0.75 4.35 4.12 3hziA1 LEU 392 HB2 -0.67 0.15 0.19 -0.04 1.64 1.28 3hziA1 LEU 392 HB3 -1.17 -0.05 0.05 -0.04 1.64 0.44 3hziA1 LEU 392 HG -0.22 0.08 0.02 -0.04 1.64 1.48 3hziA1 LEU 392 HD13 -0.17 -0.04 -0.09 -0.04 0.93 0.59 3hziA1 LEU 392 HD23 -0.39 -0.01 0.01 -0.04 0.89 0.46 3hziA1 SER 393 H 0.05 0.48 -0.00 -0.55 8.46 8.44 3hziA1 SER 393 HA 0.22 -0.02 0.40 -0.75 4.49 4.34 3hziA1 SER 393 HB2 0.27 -0.06 0.08 -0.04 3.95 4.19 3hziA1 SER 393 HB3 0.22 0.11 0.16 -0.04 3.93 4.38 3hziA1 ASP 394 H -0.03 0.46 -0.26 -0.55 8.40 8.02 3hziA1 ASP 394 HA 0.00 0.05 0.52 -0.75 4.63 4.45 3hziA1 ASP 394 HB2 -0.20 0.07 0.17 -0.04 2.71 2.70 3hziA1 ASP 394 HB3 -0.14 0.02 0.04 -0.04 2.70 2.57 3hziA1 PHE 395 H -0.00 0.28 -0.36 -0.55 8.34 7.71 3hziA1 PHE 395 HA 0.05 0.11 0.52 -0.75 4.62 4.55 3hziA1 PHE 395 HB2 -0.05 0.07 0.20 -0.04 3.15 3.33 3hziA1 PHE 395 HB3 0.05 -0.05 -0.00 -0.04 3.06 3.01 3hziA1 PHE 395 HD2 -0.02 0.01 0.03 -0.04 7.28 7.26 3hziA1 PHE 395 HE2 -0.04 0.01 -0.02 -0.04 7.38 7.29 3hziA1 PHE 395 HZ -0.01 -0.04 -0.12 -0.04 7.32 7.11 3hziA1 ALA 396 H 0.11 0.55 -0.05 -0.55 8.40 8.46 3hziA1 ALA 396 HA -0.14 -0.06 0.41 -0.75 4.34 3.80 3hziA1 ALA 396 HB3 0.08 0.03 0.05 -0.04 1.41 1.53 3hziA1 ARG 397 H 0.13 0.23 -0.88 -0.55 8.46 7.39 3hziA1 ARG 397 HA 0.16 0.21 0.92 -0.75 4.34 4.88 3hziA1 ARG 397 HB2 0.08 -0.08 0.08 -0.04 1.90 1.93 3hziA1 ARG 397 HB3 0.09 -0.02 -0.18 -0.04 1.80 1.65 3hziA1 ARG 397 HG2 0.06 -0.03 0.01 -0.04 1.67 1.67 3hziA1 ARG 397 HG3 0.06 0.18 0.10 -0.04 1.67 1.97 3hziA1 ARG 397 HD2 0.05 -0.02 0.08 -0.04 3.22 3.28 3hziA1 ARG 397 HD3 0.04 -0.06 0.03 -0.04 3.22 3.19 3hziA1 ILE 399 HA 0.12 -0.03 0.24 -0.75 4.18 3.76 3hziA1 ILE 399 HB 0.00 0.03 0.09 -0.04 1.89 1.97 3hziA1 ILE 399 HG12 0.37 0.42 0.22 -0.04 1.49 2.47 3hziA1 ILE 399 HG13 0.51 -0.07 0.01 -0.04 1.21 1.62 3hziA1 ILE 399 HG23 -0.05 -0.03 -0.16 -0.04 0.93 0.65 3hziA1 ILE 399 HD13 0.12 -0.03 0.01 -0.04 0.88 0.94 3hziA1 PRO 400 HA -0.06 0.00 0.38 -0.51 4.44 4.26 3hziA1 PRO 400 HB2 -0.01 -0.05 0.13 -0.04 2.28 2.30 3hziA1 PRO 400 HB3 -0.05 -0.01 0.07 -0.04 2.02 1.99 3hziA1 PRO 400 HG2 -0.06 0.08 0.02 -0.04 2.03 2.03 3hziA1 PRO 400 HG3 -0.25 -0.00 0.05 -0.04 2.03 1.79 3hziA1 PRO 400 HD2 0.04 0.16 -0.41 -0.04 3.68 3.43 3hziA1 PRO 400 HD3 -0.19 0.17 0.06 -0.04 3.65 3.65 3hziA1 ALA 401 H 0.01 0.25 0.03 -0.55 8.40 8.15 3hziA1 ALA 401 HA 0.00 -0.04 0.42 -0.75 4.34 3.97 3hziA1 ALA 401 HB3 0.02 0.03 0.08 -0.04 1.41 1.50 3hziA1 ALA 402 H 0.03 0.18 -0.36 -0.55 8.40 7.70 3hziA1 ALA 402 HA 0.00 0.04 0.33 -0.75 4.34 3.96 3hziA1 ALA 402 HB3 0.05 0.07 -0.02 -0.04 1.41 1.46 3hziA1 LEU 403 H 0.01 0.73 -0.07 -0.55 8.37 8.49 3hziA1 LEU 403 HA -0.00 -0.02 0.38 -0.75 4.35 3.95 3hziA1 LEU 403 HB2 -0.01 0.24 0.27 -0.04 1.64 2.10 3hziA1 LEU 403 HB3 0.02 -0.12 0.01 -0.04 1.64 1.51 3hziA1 LEU 403 HG 0.02 0.07 -0.02 -0.04 1.64 1.67 3hziA1 LEU 403 HD13 -0.04 -0.02 -0.08 -0.04 0.93 0.75 3hziA1 LEU 403 HD23 0.10 -0.03 0.00 -0.04 0.89 0.92 3hziA1 ASP 404 H -0.00 0.58 0.06 -0.55 8.40 8.49 3hziA1 ASP 404 HA 0.01 -0.06 0.38 -0.75 4.63 4.20 3hziA1 ASP 404 HB2 -0.00 0.06 0.12 -0.04 2.71 2.85 3hziA1 ASP 404 HB3 0.00 0.04 0.08 -0.04 2.70 2.79 3hziA1 ASN 405 H -0.00 0.67 -0.01 -0.55 8.53 8.64 3hziA1 ASN 405 HA -0.00 -0.05 0.31 -0.75 4.76 4.26 3hziA1 ASN 405 HB2 -0.01 0.16 0.04 -0.04 2.88 3.03 3hziA1 ASN 405 HB3 -0.01 -0.05 0.07 -0.04 2.79 2.76 3hziA1 ASN 405 HD21 0.01 -0.14 0.01 -0.04 7.03 6.86 3hziA1 ASN 405 HD22 0.00 0.20 -0.17 -0.04 7.74 7.73 3hziA1 VAL 406 H -0.03 0.32 -0.92 -0.55 8.24 7.06 3hziA1 VAL 406 HA -0.07 0.05 0.63 -0.75 4.13 4.00 3hziA1 VAL 406 HB -0.09 0.28 0.27 -0.04 2.12 2.54 3hziA1 VAL 406 HG13 -0.30 -0.06 -0.12 -0.04 0.97 0.45 3hziA1 VAL 406 HG23 -0.12 0.06 -0.06 -0.04 0.95 0.78 3hziA1 LYS 407 H -0.01 0.63 0.26 -0.55 8.42 8.75 3hziA1 LYS 407 HA 0.02 -0.07 0.41 -0.75 4.32 3.92 3hziA1 LYS 407 HB2 0.04 -0.05 0.09 -0.04 1.87 1.91 3hziA1 LYS 407 HB3 0.02 0.10 0.23 -0.04 1.79 2.10 3hziA1 LYS 407 HG2 0.02 0.06 -0.47 -0.04 1.46 1.03 3hziA1 LYS 407 HG3 0.03 -0.07 -0.04 -0.04 1.46 1.34 3hziA1 LYS 407 HD2 0.01 0.02 -0.01 -0.04 1.69 1.67 3hziA1 LYS 407 HD3 0.02 -0.03 -0.07 -0.04 1.68 1.56 3hziA1 LYS 407 HE2 0.02 0.02 -0.04 -0.04 2.99 2.95 3hziA1 LYS 407 HE3 0.01 -0.02 -0.03 -0.04 2.99 2.91 3hziA1 THR 408 H 0.00 0.57 -0.23 -0.55 8.28 8.07 3hziA1 THR 408 HA 0.02 0.00 0.34 -0.75 4.39 4.00 3hziA1 THR 408 HB 0.01 -0.05 0.13 -0.04 4.32 4.37 3hziA1 THR 408 HG23 0.01 -0.02 -0.02 -0.04 1.22 1.15 3hziA1 SER 409 H 0.00 0.36 -0.86 -0.55 8.46 7.41 3hziA1 SER 409 HA 0.03 0.11 0.96 -0.75 4.49 4.84 3hziA1 SER 409 HB2 -0.01 0.25 0.18 -0.04 3.95 4.32 3hziA1 SER 409 HB3 0.03 -0.14 -0.01 -0.04 3.93 3.77 3hziA1 LEU 410 H -0.01 0.19 0.15 -0.55 8.37 8.16 3hziA1 LEU 410 HA 0.11 -0.01 0.39 -0.75 4.35 4.09 3hziA1 LEU 410 HB2 -0.02 0.04 0.02 -0.04 1.64 1.64 3hziA1 LEU 410 HB3 -0.34 -0.09 0.08 -0.04 1.64 1.25 3hziA1 LEU 410 HG -0.07 0.14 0.15 -0.04 1.64 1.83 3hziA1 LEU 410 HD13 -0.12 -0.02 0.02 -0.04 0.93 0.77 3hziA1 LEU 410 HD23 -0.33 -0.02 -0.01 -0.04 0.89 0.49 3hziA1 PRO 411 HA 0.08 0.15 0.56 -0.51 4.44 4.71 3hziA1 PRO 411 HB2 0.06 -0.10 0.06 -0.04 2.28 2.26 3hziA1 PRO 411 HB3 0.05 0.11 0.17 -0.04 2.02 2.31 3hziA1 PRO 411 HG2 0.21 -0.11 0.10 -0.04 2.03 2.18 3hziA1 PRO 411 HG3 0.03 0.07 0.08 -0.04 2.03 2.17 3hziA1 PRO 411 HD2 0.23 0.04 0.24 -0.04 3.68 4.15 3hziA1 PRO 411 HD3 0.10 0.20 0.21 -0.04 3.65 4.11 3hziA1 THR 412 H 0.06 0.18 0.18 -0.55 8.28 8.15 3hziA1 THR 412 HA 0.07 0.14 0.31 -0.75 4.39 4.16 3hziA1 THR 412 HB 0.04 -0.00 0.14 -0.04 4.32 4.45 3hziA1 THR 412 HG23 0.04 0.02 0.07 -0.04 1.22 1.31 3hziA1 ASP 413 H 0.08 -0.08 -1.13 -0.55 8.40 6.72 3hziA1 ASP 413 HA 0.03 0.19 0.79 -0.75 4.63 4.89 3hziA1 ASP 413 HB2 -0.00 -0.02 0.06 -0.04 2.71 2.71 3hziA1 ASP 413 HB3 0.02 0.00 -0.07 -0.04 2.70 2.61 3hziA1 PHE 414 H 0.20 0.99 0.03 -0.55 8.34 9.01 3hziA1 PHE 414 HA 0.00 0.02 0.39 -0.75 4.62 4.28 3hziA1 PHE 414 HB2 0.05 -0.00 0.12 -0.04 3.15 3.28 3hziA1 PHE 414 HB3 0.06 0.04 0.01 -0.04 3.06 3.13 3hziA1 PHE 414 HD2 0.05 -0.03 -0.26 -0.04 7.28 6.99 3hziA1 PHE 414 HE2 0.13 -0.07 -0.07 -0.04 7.38 7.33 3hziA1 PHE 414 HZ 0.14 0.04 -0.18 -0.04 7.32 7.28 3hziA1 PRO 415 HA -0.05 0.01 0.53 -0.51 4.44 4.43 3hziA1 PRO 415 HB2 -0.15 -0.11 0.15 -0.04 2.28 2.13 3hziA1 PRO 415 HB3 -0.15 0.11 0.18 -0.04 2.02 2.12 3hziA1 PRO 415 HG2 -0.63 -0.07 0.20 -0.04 2.03 1.49 3hziA1 PRO 415 HG3 -0.36 0.02 0.16 -0.04 2.03 1.80 3hziA1 PRO 415 HD2 -1.39 0.05 0.21 -0.04 3.68 2.52 3hziA1 PRO 415 HD3 -0.36 0.25 0.27 -0.04 3.65 3.77 3hziA1 GLU 416 H 0.04 0.29 0.27 -0.55 8.60 8.66 3hziA1 GLU 416 HA 0.14 0.08 0.50 -0.75 4.29 4.25 3hziA1 GLU 416 HB2 0.03 -0.01 0.03 -0.04 2.09 2.10 3hziA1 GLU 416 HB3 0.06 0.14 0.16 -0.04 1.99 2.30 3hziA1 GLU 416 HG2 0.01 0.05 0.03 -0.04 2.34 2.40 3hziA1 GLU 416 HG3 0.02 0.07 0.13 -0.04 2.34 2.52 3hziA1 ASN 417 H -0.00 0.16 -0.13 -0.55 8.53 8.02 3hziA1 ASN 417 HA -0.00 0.23 0.73 -0.75 4.76 4.96 3hziA1 ASN 417 HB2 -0.02 0.02 0.04 -0.04 2.88 2.88 3hziA1 ASN 417 HB3 -0.01 0.06 0.05 -0.04 2.79 2.85 3hziA1 ASN 417 HD21 -0.03 0.04 0.02 -0.04 7.03 7.02 3hziA1 ASN 417 HD22 -0.02 -0.04 0.03 -0.04 7.74 7.67 3hziA1 VAL 418 H 0.01 0.14 -0.01 -0.55 8.24 7.82 3hziA1 VAL 418 HA -0.02 0.05 0.45 -0.75 4.13 3.86 3hziA1 VAL 418 HB 0.24 0.19 0.15 -0.04 2.12 2.65 3hziA1 VAL 418 HG13 0.09 -0.00 -0.12 -0.04 0.97 0.89 3hziA1 VAL 418 HG23 -0.08 -0.06 0.11 -0.04 0.95 0.88 3hziA1 VAL 419 H 0.13 0.21 -0.27 -0.55 8.24 7.75 3hziA1 VAL 419 HA -0.39 0.09 0.32 -0.75 4.13 3.39 3hziA1 VAL 419 HB 0.05 0.04 0.07 -0.04 2.12 2.24 3hziA1 VAL 419 HG13 0.05 0.02 -0.10 -0.04 0.97 0.89 3hziA1 VAL 419 HG23 0.07 0.03 -0.06 -0.04 0.95 0.96 3hziA1 THR 420 H -0.01 0.39 -0.12 -0.55 8.28 7.99 3hziA1 THR 420 HA -0.03 0.03 0.35 -0.75 4.39 3.98 3hziA1 THR 420 HB -0.03 -0.03 0.23 -0.04 4.32 4.45 3hziA1 THR 420 HG23 -0.03 -0.01 -0.04 -0.04 1.22 1.10 3hziA1 ALA 421 H -0.04 1.24 0.10 -0.55 8.40 9.15 3hziA1 ALA 421 HA -0.09 -0.04 0.36 -0.75 4.34 3.82 3hziA1 ALA 421 HB3 -0.04 -0.04 0.05 -0.04 1.41 1.34 3hziA1 VAL 422 H -0.10 0.50 -0.34 -0.55 8.24 7.76 3hziA1 VAL 422 HA 0.14 0.05 0.62 -0.75 4.13 4.19 3hziA1 VAL 422 HB -0.39 0.08 0.17 -0.04 2.12 1.94 3hziA1 VAL 422 HG13 0.05 -0.01 -0.06 -0.04 0.97 0.92 3hziA1 VAL 422 HG23 -0.05 -0.02 0.09 -0.04 0.95 0.92 3hziA1 GLU 423 H -0.09 0.98 0.15 -0.55 8.60 9.10 3hziA1 GLU 423 HA 0.04 0.04 0.46 -0.75 4.29 4.08 3hziA1 GLU 423 HB2 0.06 -0.06 0.09 -0.04 2.09 2.14 3hziA1 GLU 423 HB3 -0.02 0.09 0.08 -0.04 1.99 2.10 3hziA1 GLU 423 HG2 -0.02 -0.01 -0.26 -0.04 2.34 2.01 3hziA1 GLU 423 HG3 0.02 -0.02 0.03 -0.04 2.34 2.33 3hziA1 SER 424 H -0.09 0.77 -0.04 -0.55 8.46 8.56 3hziA1 SER 424 HA -0.09 0.07 0.68 -0.75 4.49 4.40 3hziA1 SER 424 HB2 -0.09 -0.06 0.07 -0.04 3.95 3.83 3hziA1 SER 424 HB3 -0.08 0.15 0.13 -0.04 3.93 4.09 3hziA1 ASN 425 H -0.29 0.35 -0.11 -0.55 8.53 7.93 3hziA1 ASN 425 HA -0.35 -0.01 0.37 -0.75 4.76 4.02 3hziA1 ASN 425 HB2 -1.22 0.14 0.11 -0.04 2.88 1.87 3hziA1 ASN 425 HB3 -1.23 -0.00 -0.03 -0.04 2.79 1.48 3hziA1 ASN 425 HD21 -0.35 -0.11 0.08 -0.04 7.03 6.60 3hziA1 ASN 425 HD22 -0.41 0.32 0.22 -0.04 7.74 7.83 3hziA1 VAL 426 H -0.15 0.33 -0.29 -0.55 8.24 7.58 3hziA1 VAL 426 HA -0.05 0.28 0.48 -0.75 4.13 4.08 3hziA1 VAL 426 HB -0.01 0.04 0.14 -0.04 2.12 2.25 3hziA1 VAL 426 HG13 -0.05 -0.03 -0.24 -0.04 0.97 0.62 3hziA1 VAL 426 HG23 0.11 0.08 0.03 -0.04 0.95 1.13 3hziA1 LEU 427 H -0.10 0.39 -0.25 -0.55 8.37 7.86 3hziA1 LEU 427 HA -0.10 0.00 0.34 -0.75 4.35 3.85 3hziA1 LEU 427 HB2 -0.09 0.18 0.22 -0.04 1.64 1.91 3hziA1 LEU 427 HB3 -0.08 -0.03 -0.01 -0.04 1.64 1.47 3hziA1 LEU 427 HG -0.15 -0.01 0.02 -0.04 1.64 1.46 3hziA1 LEU 427 HD13 -0.07 0.01 0.02 -0.04 0.93 0.84 3hziA1 LEU 427 HD23 -0.16 -0.02 0.00 -0.04 0.89 0.67 3hziA1 ARG 428 H -0.14 0.42 -0.23 -0.55 8.46 7.95 3hziA1 ARG 428 HA -0.07 -0.04 0.33 -0.75 4.34 3.80 3hziA1 ARG 428 HB2 -0.13 -0.05 0.13 -0.04 1.90 1.81 3hziA1 ARG 428 HB3 -0.20 0.19 0.23 -0.04 1.80 1.98 3hziA1 ARG 428 HG2 -0.14 0.05 -0.23 -0.04 1.67 1.31 3hziA1 ARG 428 HG3 -0.08 -0.05 0.01 -0.04 1.67 1.50 3hziA1 ARG 428 HD2 -0.09 -0.04 0.01 -0.04 3.22 3.06 3hziA1 ARG 428 HD3 -0.15 -0.02 0.02 -0.04 3.22 3.03 3hziA1 LEU 429 H -0.22 0.60 -0.08 -0.55 8.37 8.12 3hziA1 LEU 429 HA -0.32 -0.03 0.39 -0.75 4.35 3.64 3hziA1 LEU 429 HB2 -0.39 0.25 0.25 -0.04 1.64 1.71 3hziA1 LEU 429 HB3 -0.98 -0.08 -0.01 -0.04 1.64 0.53 3hziA1 LEU 429 HG -0.33 -0.09 0.03 -0.04 1.64 1.21 3hziA1 LEU 429 HD13 -0.31 -0.00 -0.09 -0.04 0.93 0.49 3hziA1 LEU 429 HD23 -0.90 -0.03 -0.06 -0.04 0.89 -0.14 3hziA1 HIS 430 H -0.08 0.64 -0.07 -0.55 8.41 8.36 3hziA1 HIS 430 HA -0.08 -0.05 0.40 -0.75 4.63 4.15 3hziA1 HIS 430 HB2 -0.08 -0.01 0.07 -0.04 3.26 3.19 3hziA1 HIS 430 HB3 -0.08 0.11 0.18 -0.04 3.20 3.36 3hziA1 HIS 430 HD2 -0.00 0.07 -0.53 -0.04 6.97 6.46 3hziA1 HIS 430 HE1 0.06 0.25 -0.06 -0.04 7.75 7.96 3hziA1 GLY 431 H 0.07 0.65 -0.26 -0.55 8.43 8.35 3hziA1 GLY 431 HA2 0.17 -0.07 0.36 -0.51 4.01 3.96 3hziA1 GLY 431 HA3 0.06 0.08 0.34 -0.51 4.01 3.98 3hziA1 ARG 432 H -0.02 0.40 -0.16 -0.55 8.46 8.13 3hziA1 ARG 432 HA 0.08 -0.04 0.34 -0.75 4.34 3.97 3hziA1 ARG 432 HB2 0.15 0.10 0.13 -0.04 1.90 2.24 3hziA1 ARG 432 HB3 0.08 -0.14 0.09 -0.04 1.80 1.78 3hziA1 ARG 432 HG2 -0.10 -0.09 0.09 -0.04 1.67 1.54 3hziA1 ARG 432 HG3 -0.14 0.17 0.17 -0.04 1.67 1.82 3hziA1 ARG 432 HD2 -0.17 0.05 0.16 -0.04 3.22 3.22 3hziA1 ARG 432 HD3 -1.23 -0.18 0.10 -0.04 3.22 1.87 3hziA1 LEU 433 H -0.03 0.45 -0.26 -0.55 8.37 7.98 3hziA1 LEU 433 HA 0.04 -0.08 0.47 -0.75 4.35 4.03 3hziA1 LEU 433 HB2 -0.42 0.26 0.30 -0.04 1.64 1.74 3hziA1 LEU 433 HB3 -0.13 -0.05 0.10 -0.04 1.64 1.52 3hziA1 LEU 433 HG 0.16 0.03 0.09 -0.04 1.64 1.88 3hziA1 LEU 433 HD13 0.04 0.01 -0.01 -0.04 0.93 0.93 3hziA1 LEU 433 HD23 -0.11 -0.03 0.05 -0.04 0.89 0.76 3hziA1 SER 434 H -0.32 0.32 0.14 -0.55 8.46 8.06 3hziA1 SER 434 HA 0.06 0.13 0.45 -0.75 4.49 4.37 3hziA1 SER 434 HB2 0.12 -0.05 0.05 -0.04 3.95 4.02 3hziA1 SER 434 HB3 0.18 0.14 0.20 -0.04 3.93 4.40 3hziA1 ARG 435 H 0.05 0.58 -0.37 -0.55 8.46 8.18 3hziA1 ARG 435 HA 0.06 -0.06 0.33 -0.75 4.34 3.92 3hziA1 ARG 435 HB2 0.08 0.20 0.04 -0.04 1.90 2.18 3hziA1 ARG 435 HB3 0.08 -0.11 0.12 -0.04 1.80 1.85 3hziA1 ARG 435 HG2 0.06 -0.07 0.03 -0.04 1.67 1.65 3hziA1 ARG 435 HG3 0.06 0.08 -0.03 -0.04 1.67 1.74 3hziA1 ARG 435 HD2 0.07 -0.04 0.02 -0.04 3.22 3.22 3hziA1 ARG 435 HD3 0.06 -0.07 -0.02 -0.04 3.22 3.15 3hziA1 GLU 436 H 0.13 0.46 -0.76 -0.55 8.60 7.89 3hziA1 GLU 436 HA 0.04 0.04 0.82 -0.75 4.29 4.44 3hziA1 GLU 436 HB2 0.38 0.09 0.16 -0.04 2.09 2.68 3hziA1 GLU 436 HB3 0.15 -0.17 0.02 -0.04 1.99 1.95 3hziA1 GLU 436 HG2 0.10 -0.01 0.06 -0.04 2.34 2.45 3hziA1 GLU 436 HG3 0.14 0.15 -0.28 -0.04 2.34 2.32 3hziA1 TYR 437 H 0.34 0.60 0.12 -0.55 8.29 8.80 3hziA1 TYR 437 HA 0.02 0.16 0.63 -0.75 4.56 4.62 3hziA1 TYR 437 HB2 0.03 0.06 -0.08 -0.04 3.06 3.02 3hziA1 TYR 437 HB3 0.03 -0.04 0.00 -0.04 2.98 2.94 3hziA1 TYR 437 HD2 0.05 0.05 -0.01 -0.04 7.15 7.19 3hziA1 TYR 437 HE2 0.17 -0.04 0.02 -0.04 6.85 6.96