============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 52 rings ring int. center anis. iso. TYR 15 0.840 17.797 21.876 43.813 -99.200 -91.000 PHE 32 1.000 19.551 15.778 26.438 -99.200 -91.000 HIS 40 0.900 27.017 14.782 33.272 -99.200 -91.000 PHE 51 1.000 17.251 11.117 30.023 -99.200 -91.000 TYR 52 0.840 10.660 13.178 28.539 -99.200 -91.000 HIS 60 0.900 9.065 17.784 38.975 -99.200 -91.000 PHE 61 1.000 16.117 17.036 39.192 -99.200 -91.000 PHE 79 1.000 4.625 7.176 43.899 -99.200 -91.000 PHE 93 1.000 9.795 -2.351 46.727 -99.200 -91.000 HIS 99 0.900 0.322 -13.053 53.025 -99.200 -91.000 TYR 107 0.840 -7.544 6.695 52.110 -99.200 -91.000 PHE 113 1.000 -2.908 -1.749 44.558 -99.200 -91.000 TRP 127 1.040 -7.528 -8.094 54.812 -99.200 -91.000 TRP6 127 1.020 -7.083 -6.200 53.487 -99.200 -91.000 PHE 128 1.000 -0.999 -6.064 60.629 -99.200 -91.000 HIS 139 0.900 -2.517 -12.542 61.692 -99.200 -91.000 PHE 148 1.000 0.354 0.131 53.229 -99.200 -91.000 HIS 160 0.900 -0.279 -0.677 63.116 -99.200 -91.000 TRP 184 1.040 -3.122 11.495 62.952 -99.200 -91.000 TRP6 184 1.020 -1.673 11.644 64.819 -99.200 -91.000 PHE 190 1.000 6.471 5.994 63.789 -99.200 -91.000 PHE 195 1.000 10.306 4.509 65.714 -99.200 -91.000 TYR 206 0.840 -2.353 17.671 59.357 -99.200 -91.000 HIS 210 0.900 -2.096 26.569 52.860 -99.200 -91.000 TRP 225 1.040 15.638 6.253 45.584 -99.200 -91.000 TRP6 225 1.020 17.648 7.294 44.909 -99.200 -91.000 TYR 233 0.840 11.025 7.360 34.181 -99.200 -91.000 TYR 245 0.840 6.824 27.738 44.229 -99.200 -91.000 HIS 261 0.900 -3.794 21.806 62.063 -99.200 -91.000 HIS 262 0.900 0.008 18.159 70.516 -99.200 -91.000 TRP 271 1.040 -16.293 20.732 75.926 -99.200 -91.000 TRP6 271 1.020 -17.625 20.195 74.047 -99.200 -91.000 HIS 275 0.900 -21.567 16.931 75.756 -99.200 -91.000 HIS 283 0.900 -6.050 13.694 69.961 -99.200 -91.000 HIS 292 0.900 -1.834 8.227 75.675 -99.200 -91.000 PHE 294 1.000 1.864 0.069 72.064 -99.200 -91.000 TRP 295 1.040 0.831 10.283 70.020 -99.200 -91.000 TRP6 295 1.020 0.926 11.640 71.952 -99.200 -91.000 PHE 299 1.000 2.983 8.404 66.380 -99.200 -91.000 PHE 306 1.000 -10.496 14.746 68.165 -99.200 -91.000 PHE 308 1.000 -17.451 13.249 68.667 -99.200 -91.000 TYR 322 0.840 -23.891 15.910 65.543 -99.200 -91.000 PHE 326 1.000 -21.740 20.355 63.925 -99.200 -91.000 PHE 329 1.000 -16.017 21.312 63.968 -99.200 -91.000 TYR 333 0.840 -16.005 11.753 51.469 -99.200 -91.000 TRP 335 1.040 -7.531 13.435 56.687 -99.200 -91.000 TRP6 335 1.020 -5.406 13.118 57.695 -99.200 -91.000 TYR 338 0.840 -7.641 27.243 54.760 -99.200 -91.000 HIS 349 0.900 -22.404 3.559 56.911 -99.200 -91.000 PHE 361 1.000 -17.555 2.051 66.458 -99.200 -91.000 HIS 369 0.900 -8.057 19.026 59.867 -99.200 -91.000 PHE 386 1.000 -21.841 16.416 71.757 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1cl1A1 LYS 5 HA 0.00 -0.06 0.17 -0.75 4.32 3.68 1cl1A1 LYS 5 HB2 -0.00 0.04 0.06 -0.04 1.87 1.93 1cl1A1 LYS 5 HB3 -0.00 0.06 -0.04 -0.04 1.79 1.77 1cl1A1 LYS 5 HG2 0.00 -0.07 0.07 -0.04 1.46 1.42 1cl1A1 LYS 5 HG3 0.00 -0.02 0.06 -0.04 1.46 1.46 1cl1A1 LYS 5 HD2 -0.00 0.02 0.01 -0.04 1.69 1.68 1cl1A1 LYS 5 HD3 -0.00 0.04 -0.02 -0.04 1.68 1.66 1cl1A1 LYS 5 HE2 -0.00 -0.01 -0.01 -0.04 2.99 2.94 1cl1A1 LYS 5 HE3 -0.00 0.03 -0.01 -0.04 2.99 2.96 1cl1A1 LEU 6 H 0.01 0.31 0.12 -0.55 8.37 8.27 1cl1A1 LEU 6 HA 0.01 0.12 0.44 -0.75 4.35 4.16 1cl1A1 LEU 6 HB2 0.01 0.10 0.13 -0.04 1.64 1.85 1cl1A1 LEU 6 HB3 0.02 -0.04 0.15 -0.04 1.64 1.72 1cl1A1 LEU 6 HG 0.02 -0.06 -0.31 -0.04 1.64 1.24 1cl1A1 LEU 6 HD13 0.01 0.02 0.04 -0.04 0.93 0.96 1cl1A1 LEU 6 HD23 0.03 0.01 -0.05 -0.04 0.89 0.84 1cl1A1 ASP 7 H 0.01 0.17 -0.09 -0.55 8.40 7.94 1cl1A1 ASP 7 HA 0.01 0.06 0.39 -0.75 4.63 4.34 1cl1A1 ASP 7 HB2 0.01 0.01 0.05 -0.04 2.71 2.73 1cl1A1 ASP 7 HB3 0.01 0.05 0.01 -0.04 2.70 2.73 1cl1A1 THR 8 H 0.01 0.08 -0.44 -0.55 8.28 7.37 1cl1A1 THR 8 HA 0.01 0.06 0.41 -0.75 4.39 4.11 1cl1A1 THR 8 HB 0.00 0.17 0.08 -0.04 4.32 4.54 1cl1A1 THR 8 HG23 0.00 -0.00 -0.05 -0.04 1.22 1.13 1cl1A1 GLN 9 H 0.00 0.52 -0.12 -0.55 8.47 8.33 1cl1A1 GLN 9 HE21 -0.01 0.11 -0.01 -0.04 6.97 7.02 1cl1A1 GLN 9 HE22 -0.00 -0.05 -0.02 -0.04 7.69 7.58 1cl1A1 GLN 9 HA 0.00 0.00 0.45 -0.75 4.36 4.06 1cl1A1 GLN 9 HB2 0.00 0.09 0.24 -0.04 2.15 2.44 1cl1A1 GLN 9 HB3 0.00 -0.01 -0.05 -0.04 2.02 1.92 1cl1A1 GLN 9 HG2 0.00 -0.06 0.01 -0.04 2.40 2.31 1cl1A1 GLN 9 HG3 -0.00 0.04 -0.01 -0.04 2.39 2.38 1cl1A1 LEU 10 H 0.01 0.65 -0.06 -0.55 8.37 8.43 1cl1A1 LEU 10 HA 0.01 0.01 0.36 -0.75 4.35 3.97 1cl1A1 LEU 10 HB2 0.01 0.04 0.15 -0.04 1.64 1.81 1cl1A1 LEU 10 HB3 0.01 0.17 0.00 -0.04 1.64 1.78 1cl1A1 LEU 10 HG 0.01 0.10 0.03 -0.04 1.64 1.75 1cl1A1 LEU 10 HD13 0.02 -0.06 -0.04 -0.04 0.93 0.81 1cl1A1 LEU 10 HD23 0.02 0.02 0.03 -0.04 0.89 0.91 1cl1A1 VAL 11 H 0.01 0.36 -0.28 -0.55 8.24 7.78 1cl1A1 VAL 11 HA 0.00 0.05 0.51 -0.75 4.13 3.94 1cl1A1 VAL 11 HB 0.01 0.08 0.15 -0.04 2.12 2.32 1cl1A1 VAL 11 HG13 0.01 -0.03 -0.06 -0.04 0.97 0.84 1cl1A1 VAL 11 HG23 0.01 0.01 0.09 -0.04 0.95 1.02 1cl1A1 ASN 12 H 0.01 0.30 -0.27 -0.55 8.53 8.02 1cl1A1 ASN 12 HD21 0.01 -0.08 -0.03 -0.04 7.03 6.89 1cl1A1 ASN 12 HD22 0.01 0.25 0.04 -0.04 7.74 7.99 1cl1A1 ASN 12 HA 0.01 0.23 0.93 -0.75 4.76 5.19 1cl1A1 ASN 12 HB2 0.01 0.09 0.08 -0.04 2.88 3.02 1cl1A1 ASN 12 HB3 0.01 -0.11 0.04 -0.04 2.79 2.69 1cl1A1 ALA 13 H 0.01 0.55 0.01 -0.55 8.40 8.42 1cl1A1 ALA 13 HA 0.02 -0.11 0.40 -0.75 4.34 3.90 1cl1A1 ALA 13 HB3 0.00 0.01 0.11 -0.04 1.41 1.50 1cl1A1 GLY 14 H 0.04 0.11 0.15 -0.55 8.43 8.18 1cl1A1 GLY 14 HA2 0.11 -0.07 0.36 -0.51 4.01 3.89 1cl1A1 GLY 14 HA3 0.03 0.19 0.52 -0.51 4.01 4.25 1cl1A1 ARG 15 H 0.06 0.53 -0.34 -0.55 8.46 8.16 1cl1A1 ARG 15 HA 0.12 0.14 0.71 -0.75 4.34 4.55 1cl1A1 ARG 15 HB2 0.03 0.10 0.13 -0.04 1.90 2.12 1cl1A1 ARG 15 HB3 0.04 0.01 0.16 -0.04 1.80 1.97 1cl1A1 ARG 15 HG2 0.03 -0.13 -0.14 -0.04 1.67 1.39 1cl1A1 ARG 15 HG3 0.02 0.14 -0.22 -0.04 1.67 1.56 1cl1A1 ARG 15 HD2 0.02 0.39 0.12 -0.04 3.22 3.71 1cl1A1 ARG 15 HD3 -0.01 -0.13 -0.03 -0.04 3.22 3.02 1cl1A1 SER 16 H 0.21 0.26 -0.32 -0.55 8.46 8.07 1cl1A1 SER 16 HA 0.01 0.15 0.47 -0.75 4.49 4.36 1cl1A1 SER 16 HB2 -0.27 -0.10 0.00 -0.04 3.95 3.54 1cl1A1 SER 16 HB3 -0.09 -0.02 0.10 -0.04 3.93 3.88 1cl1A1 LYS 17 H -0.03 0.22 0.18 -0.55 8.42 8.23 1cl1A1 LYS 17 HA 0.01 0.11 0.37 -0.75 4.32 4.05 1cl1A1 LYS 17 HB2 -0.01 0.10 0.13 -0.04 1.87 2.06 1cl1A1 LYS 17 HB3 -0.03 0.01 0.10 -0.04 1.79 1.83 1cl1A1 LYS 17 HG2 -0.01 0.03 -0.12 -0.04 1.46 1.32 1cl1A1 LYS 17 HG3 0.00 -0.17 0.12 -0.04 1.46 1.38 1cl1A1 LYS 17 HD2 0.00 0.05 0.01 -0.04 1.69 1.71 1cl1A1 LYS 17 HD3 -0.01 0.02 -0.01 -0.04 1.68 1.65 1cl1A1 LYS 17 HE2 0.00 0.01 -0.06 -0.04 2.99 2.89 1cl1A1 LYS 17 HE3 0.01 -0.06 -0.11 -0.04 2.99 2.79 1cl1A1 LYS 18 H -0.15 0.07 -0.27 -0.55 8.42 7.52 1cl1A1 LYS 18 HA -0.09 0.09 0.36 -0.75 4.32 3.93 1cl1A1 TYR 19 H -0.13 0.29 -0.45 -0.55 8.29 7.44 1cl1A1 TYR 19 HA 0.06 0.12 0.82 -0.75 4.56 4.80 1cl1A1 TYR 19 HB2 0.05 0.18 0.09 -0.04 3.06 3.33 1cl1A1 TYR 19 HB3 0.05 -0.05 0.06 -0.04 2.98 3.01 1cl1A1 TYR 19 HD2 0.08 0.09 0.03 -0.04 7.15 7.32 1cl1A1 TYR 19 HE2 0.18 0.01 -0.04 -0.04 6.85 6.95 1cl1A1 THR 20 H 0.09 0.28 -0.04 -0.55 8.28 8.07 1cl1A1 THR 20 HA 0.10 0.11 0.65 -0.75 4.39 4.50 1cl1A1 THR 20 HB 0.06 0.23 -0.29 -0.04 4.32 4.27 1cl1A1 THR 20 HG23 0.09 0.02 -0.46 -0.04 1.22 0.83 1cl1A1 LEU 21 H 0.04 0.49 0.03 -0.55 8.37 8.39 1cl1A1 LEU 21 HA 0.02 0.06 0.32 -0.75 4.35 3.99 1cl1A1 LEU 21 HB2 0.03 0.11 -0.13 -0.04 1.64 1.61 1cl1A1 LEU 21 HB3 0.02 -0.04 0.15 -0.04 1.64 1.73 1cl1A1 LEU 21 HG 0.05 -0.01 -0.44 -0.04 1.64 1.20 1cl1A1 LEU 21 HD13 0.04 -0.02 -0.09 -0.04 0.93 0.82 1cl1A1 LEU 21 HD23 0.02 0.02 0.00 -0.04 0.89 0.89 1cl1A1 GLY 22 H 0.02 0.08 -0.23 -0.55 8.43 7.76 1cl1A1 GLY 22 HA2 0.01 -0.04 0.29 -0.51 4.01 3.77 1cl1A1 GLY 22 HA3 0.01 0.18 0.80 -0.51 4.01 4.49 1cl1A1 ALA 23 H 0.03 0.44 -0.45 -0.55 8.40 7.87 1cl1A1 ALA 23 HA 0.03 0.08 0.60 -0.75 4.34 4.29 1cl1A1 ALA 23 HB3 0.04 0.02 0.06 -0.04 1.41 1.49 1cl1A1 VAL 24 H 0.03 0.06 0.13 -0.55 8.24 7.91 1cl1A1 VAL 24 HA 0.03 0.13 0.53 -0.75 4.13 4.06 1cl1A1 VAL 24 HB 0.03 -0.07 0.14 -0.04 2.12 2.18 1cl1A1 VAL 24 HG13 0.01 0.01 -0.08 -0.04 0.97 0.88 1cl1A1 VAL 24 HG23 0.02 0.00 0.03 -0.04 0.95 0.96 1cl1A1 ASN 25 H 0.06 -0.04 -0.00 -0.55 8.53 8.00 1cl1A1 ASN 25 HD21 0.03 0.03 -0.02 -0.04 7.03 7.02 1cl1A1 ASN 25 HD22 0.08 -0.06 0.03 -0.04 7.74 7.75 1cl1A1 ASN 25 HA 0.01 0.20 0.62 -0.75 4.76 4.83 1cl1A1 ASN 25 HB2 0.19 -0.03 0.01 -0.04 2.88 3.01 1cl1A1 ASN 25 HB3 -0.04 0.02 0.04 -0.04 2.79 2.77 1cl1A1 SER 26 H 0.04 0.09 0.03 -0.55 8.46 8.07 1cl1A1 SER 26 HA 0.13 0.07 0.09 -0.75 4.49 4.03 1cl1A1 SER 26 HB2 0.09 0.03 0.02 -0.04 3.95 4.04 1cl1A1 SER 26 HB3 0.07 0.03 0.01 -0.04 3.93 4.00 1cl1A1 VAL 27 H 0.10 0.63 0.29 -0.55 8.24 8.71 1cl1A1 VAL 27 HA 0.03 0.10 0.49 -0.75 4.13 4.01 1cl1A1 VAL 27 HB 0.00 -0.05 0.01 -0.04 2.12 2.03 1cl1A1 VAL 27 HG13 0.04 0.03 -0.04 -0.04 0.97 0.96 1cl1A1 VAL 27 HG23 0.05 0.02 -0.10 -0.04 0.95 0.88 1cl1A1 ILE 28 H -0.08 0.20 0.09 -0.55 8.25 7.91 1cl1A1 ILE 28 HA -0.07 0.11 0.78 -0.75 4.18 4.25 1cl1A1 ILE 28 HB -0.18 0.02 0.15 -0.04 1.89 1.84 1cl1A1 ILE 28 HG12 -0.34 0.02 -0.11 -0.04 1.49 1.03 1cl1A1 ILE 28 HG13 -0.50 0.09 -0.13 -0.04 1.21 0.63 1cl1A1 ILE 28 HG23 -0.13 -0.03 -0.22 -0.04 0.93 0.52 1cl1A1 ILE 28 HD13 -0.74 -0.00 -0.03 -0.04 0.88 0.07 1cl1A1 GLN 29 H -0.07 0.14 -0.02 -0.55 8.47 7.98 1cl1A1 GLN 29 HE21 0.02 0.03 0.01 -0.04 6.97 6.98 1cl1A1 GLN 29 HE22 -0.01 0.06 -0.01 -0.04 7.69 7.69 1cl1A1 GLN 29 HA -0.04 0.24 0.88 -0.75 4.36 4.68 1cl1A1 GLN 29 HB2 -0.02 0.09 -0.04 -0.04 2.15 2.15 1cl1A1 GLN 29 HB3 -0.05 -0.24 0.19 -0.04 2.02 1.88 1cl1A1 GLN 29 HG2 -0.04 0.01 -0.20 -0.04 2.40 2.12 1cl1A1 GLN 29 HG3 -0.03 0.11 -0.01 -0.04 2.39 2.42 1cl1A1 ARG 30 H -0.05 0.29 0.03 -0.55 8.46 8.19 1cl1A1 ARG 30 HA -0.04 -0.01 0.71 -0.75 4.34 4.25 1cl1A1 ARG 30 HB2 -0.04 0.06 0.14 -0.04 1.90 2.02 1cl1A1 ARG 30 HB3 -0.04 0.02 0.01 -0.04 1.80 1.75 1cl1A1 ARG 30 HG2 -0.05 -0.12 -0.02 -0.04 1.67 1.44 1cl1A1 ARG 30 HG3 -0.06 0.01 -0.12 -0.04 1.67 1.45 1cl1A1 ARG 30 HD2 -0.05 0.06 0.01 -0.04 3.22 3.20 1cl1A1 ARG 30 HD3 -0.04 0.01 0.00 -0.04 3.22 3.15 1cl1A1 ALA 31 H -0.04 0.20 0.16 -0.55 8.40 8.17 1cl1A1 ALA 31 HA -0.06 0.03 0.43 -0.75 4.34 3.98 1cl1A1 ALA 31 HB3 -0.07 0.10 -0.25 -0.04 1.41 1.16 1cl1A1 SER 32 H -0.09 0.12 0.09 -0.55 8.46 8.04 1cl1A1 SER 32 HA -0.34 0.11 0.79 -0.75 4.49 4.30 1cl1A1 SER 32 HB2 -0.11 0.06 0.12 -0.04 3.95 3.98 1cl1A1 SER 32 HB3 -0.09 0.05 0.07 -0.04 3.93 3.92 1cl1A1 SER 33 H -0.05 0.05 0.17 -0.55 8.46 8.09 1cl1A1 SER 33 HA 0.06 0.11 0.34 -0.75 4.49 4.23 1cl1A1 SER 33 HB2 -0.03 -0.03 0.11 -0.04 3.95 3.96 1cl1A1 SER 33 HB3 -0.04 0.07 -0.09 -0.04 3.93 3.83 1cl1A1 LEU 34 H -0.12 0.32 0.14 -0.55 8.37 8.16 1cl1A1 LEU 34 HA -0.13 0.09 0.71 -0.75 4.35 4.26 1cl1A1 LEU 34 HB2 -0.15 0.15 -0.25 -0.04 1.64 1.35 1cl1A1 LEU 34 HB3 -0.12 0.06 -0.20 -0.04 1.64 1.34 1cl1A1 LEU 34 HG -0.09 0.00 -0.62 -0.04 1.64 0.90 1cl1A1 LEU 34 HD13 0.03 -0.03 -0.31 -0.04 0.93 0.57 1cl1A1 LEU 34 HD23 -0.04 0.01 -0.09 -0.04 0.89 0.73 1cl1A1 VAL 35 H -0.17 0.12 0.03 -0.55 8.24 7.67 1cl1A1 VAL 35 HA -0.37 0.13 0.74 -0.75 4.13 3.88 1cl1A1 VAL 35 HB -0.08 -0.01 0.01 -0.04 2.12 2.00 1cl1A1 VAL 35 HG13 -0.03 0.01 -0.17 -0.04 0.97 0.74 1cl1A1 VAL 35 HG23 -0.08 0.01 -0.07 -0.04 0.95 0.76 1cl1A1 PHE 36 H -0.15 0.20 0.14 -0.55 8.34 7.98 1cl1A1 PHE 36 HA 0.05 0.13 0.75 -0.75 4.62 4.80 1cl1A1 PHE 36 HB2 0.02 0.01 0.11 -0.04 3.15 3.25 1cl1A1 PHE 36 HB3 0.05 -0.06 0.03 -0.04 3.06 3.03 1cl1A1 PHE 36 HD2 0.04 -0.03 -0.05 -0.04 7.28 7.20 1cl1A1 PHE 36 HE2 0.02 0.05 0.04 -0.04 7.38 7.45 1cl1A1 PHE 36 HZ -0.33 0.12 0.08 -0.04 7.32 7.15 1cl1A1 ASP 37 H 0.15 0.18 0.12 -0.55 8.40 8.30 1cl1A1 ASP 37 HA 0.06 0.13 0.42 -0.75 4.63 4.49 1cl1A1 ASP 37 HB2 0.07 -0.07 0.12 -0.04 2.71 2.79 1cl1A1 ASP 37 HB3 0.05 0.02 0.03 -0.04 2.70 2.76 1cl1A1 SER 38 H 0.12 0.07 -0.07 -0.55 8.46 8.04 1cl1A1 SER 38 HA 0.05 0.30 0.69 -0.75 4.49 4.78 1cl1A1 SER 38 HB2 0.03 -0.05 0.17 -0.04 3.95 4.06 1cl1A1 SER 38 HB3 0.04 0.21 -0.17 -0.04 3.93 3.97 1cl1A1 VAL 39 H 0.03 0.24 0.17 -0.55 8.24 8.13 1cl1A1 VAL 39 HA -0.01 0.15 0.45 -0.75 4.13 3.98 1cl1A1 VAL 39 HB 0.01 -0.02 0.15 -0.04 2.12 2.22 1cl1A1 VAL 39 HG13 -0.01 0.03 -0.05 -0.04 0.97 0.90 1cl1A1 VAL 39 HG23 0.01 0.03 0.07 -0.04 0.95 1.02 1cl1A1 GLU 40 H 0.02 0.08 -0.06 -0.55 8.60 8.09 1cl1A1 GLU 40 HA 0.01 0.14 0.35 -0.75 4.29 4.04 1cl1A1 ALA 41 H 0.05 -0.04 -0.39 -0.55 8.40 7.47 1cl1A1 ALA 41 HA 0.09 0.12 0.36 -0.75 4.34 4.16 1cl1A1 ALA 41 HB3 0.14 0.01 0.11 -0.04 1.41 1.63 1cl1A1 LYS 42 H -0.01 0.46 -0.15 -0.55 8.42 8.17 1cl1A1 LYS 42 HA -0.80 0.07 0.40 -0.75 4.32 3.23 1cl1A1 LYS 42 HB2 -0.35 -0.01 0.13 -0.04 1.87 1.60 1cl1A1 LYS 42 HB3 -0.19 0.08 0.20 -0.04 1.79 1.84 1cl1A1 LYS 42 HG2 -0.31 0.02 -0.16 -0.04 1.46 0.97 1cl1A1 LYS 42 HG3 -1.14 0.01 0.05 -0.04 1.46 0.33 1cl1A1 LYS 42 HD2 -0.23 0.02 0.02 -0.04 1.69 1.45 1cl1A1 LYS 42 HD3 -0.13 -0.03 0.01 -0.04 1.68 1.50 1cl1A1 LYS 42 HE2 -0.04 -0.01 -0.00 -0.04 2.99 2.90 1cl1A1 LYS 42 HE3 -0.09 -0.01 -0.01 -0.04 2.99 2.84 1cl1A1 LYS 43 H -0.06 0.54 -0.15 -0.55 8.42 8.20 1cl1A1 LYS 43 HA -0.06 0.03 0.40 -0.75 4.32 3.94 1cl1A1 HIS 44 H 0.10 0.45 -0.20 -0.55 8.41 8.21 1cl1A1 HIS 44 HA -0.01 0.04 0.40 -0.75 4.63 4.30 1cl1A1 HIS 44 HB2 0.01 -0.02 0.09 -0.04 3.26 3.30 1cl1A1 HIS 44 HB3 0.03 0.07 0.15 -0.04 3.20 3.42 1cl1A1 HIS 44 HD2 0.00 -0.01 -0.00 -0.04 6.97 6.91 1cl1A1 HIS 44 HE1 0.03 0.01 -0.07 -0.04 7.75 7.68 1cl1A1 ALA 45 H 0.12 0.56 -0.09 -0.55 8.40 8.44 1cl1A1 ALA 45 HA 0.08 0.01 0.32 -0.75 4.34 3.99 1cl1A1 ALA 45 HB3 0.37 0.04 0.06 -0.04 1.41 1.84 1cl1A1 THR 46 H -0.01 0.57 -0.19 -0.55 8.28 8.10 1cl1A1 THR 46 HA -0.35 0.00 0.34 -0.75 4.39 3.63 1cl1A1 THR 46 HB -0.07 0.14 0.17 -0.04 4.32 4.52 1cl1A1 THR 46 HG23 -0.08 -0.02 -0.08 -0.04 1.22 1.00 1cl1A1 ARG 47 H -0.13 0.50 -0.16 -0.55 8.46 8.11 1cl1A1 ARG 47 HA -0.15 0.00 0.39 -0.75 4.34 3.83 1cl1A1 ASN 48 H -0.23 0.37 -0.54 -0.55 8.53 7.58 1cl1A1 ASN 48 HD21 -0.41 -0.09 -0.05 -0.04 7.03 6.44 1cl1A1 ASN 48 HD22 -0.84 0.47 0.04 -0.04 7.74 7.37 1cl1A1 ASN 48 HA -0.16 0.15 0.87 -0.75 4.76 4.87 1cl1A1 ASN 48 HB2 -0.23 0.05 0.06 -0.04 2.88 2.71 1cl1A1 ASN 48 HB3 -0.13 -0.00 0.12 -0.04 2.79 2.74 1cl1A1 ARG 49 H -0.30 0.45 -0.34 -0.55 8.46 7.72 1cl1A1 ARG 49 HA -0.17 0.11 0.30 -0.75 4.34 3.83 1cl1A1 ARG 49 HB2 -0.82 -0.10 0.06 -0.04 1.90 1.00 1cl1A1 ARG 49 HB3 -1.17 0.09 0.14 -0.04 1.80 0.82 1cl1A1 ARG 49 HG2 -0.39 0.11 0.07 -0.04 1.67 1.42 1cl1A1 ARG 49 HG3 -0.39 -0.05 -0.16 -0.04 1.67 1.03 1cl1A1 ARG 49 HD2 -0.58 -0.08 -0.02 -0.04 3.22 2.50 1cl1A1 ARG 49 HD3 -0.75 0.02 0.06 -0.04 3.22 2.51 1cl1A1 ALA 50 H -0.22 0.16 -0.30 -0.55 8.40 7.49 1cl1A1 ALA 50 HA -0.15 0.21 0.83 -0.75 4.34 4.48 1cl1A1 ALA 50 HB3 -0.27 0.01 0.05 -0.04 1.41 1.16 1cl1A1 ASN 51 H -0.12 0.43 -0.48 -0.55 8.53 7.81 1cl1A1 ASN 51 HA 0.02 0.21 0.91 -0.75 4.76 5.15 1cl1A1 GLY 52 H -0.22 0.18 -0.25 -0.55 8.43 7.59 1cl1A1 GLY 52 HA2 -1.25 -0.01 0.20 -0.51 4.01 2.43 1cl1A1 GLY 52 HA3 -0.39 0.03 0.25 -0.51 4.01 3.39 1cl1A1 GLU 53 H -0.10 0.30 -0.25 -0.55 8.60 8.00 1cl1A1 GLU 53 HA 0.12 0.09 0.83 -0.75 4.29 4.58 1cl1A1 GLU 53 HB2 -0.00 0.17 -0.10 -0.04 2.09 2.12 1cl1A1 GLU 53 HB3 0.14 -0.02 -0.10 -0.04 1.99 1.97 1cl1A1 GLU 53 HG2 0.01 0.11 -0.17 -0.04 2.34 2.24 1cl1A1 GLU 53 HG3 -0.08 -0.00 -0.07 -0.04 2.34 2.16 1cl1A1 LEU 54 H 0.27 0.10 0.05 -0.55 8.37 8.24 1cl1A1 LEU 54 HA 0.35 0.05 0.38 -0.75 4.35 4.38 1cl1A1 LEU 54 HB2 0.18 0.01 0.10 -0.04 1.64 1.88 1cl1A1 LEU 54 HB3 0.12 -0.02 -0.06 -0.04 1.64 1.64 1cl1A1 LEU 54 HG 0.28 0.04 0.03 -0.04 1.64 1.95 1cl1A1 LEU 54 HD13 0.09 -0.00 0.02 -0.04 0.93 1.00 1cl1A1 LEU 54 HD23 0.12 -0.01 -0.03 -0.04 0.89 0.93 1cl1A1 PHE 55 H 0.34 0.09 0.17 -0.55 8.34 8.39 1cl1A1 PHE 55 HA 0.38 0.14 0.81 -0.75 4.62 5.19 1cl1A1 PHE 55 HB2 0.16 0.15 -0.28 -0.04 3.15 3.14 1cl1A1 PHE 55 HB3 0.16 0.03 0.12 -0.04 3.06 3.33 1cl1A1 PHE 55 HD2 0.17 -0.02 -0.17 -0.04 7.28 7.21 1cl1A1 PHE 55 HE2 0.02 -0.02 -0.04 -0.04 7.38 7.29 1cl1A1 PHE 55 HZ 0.01 -0.02 -0.03 -0.04 7.32 7.25 1cl1A1 TYR 56 H 0.34 0.26 0.22 -0.55 8.29 8.57 1cl1A1 TYR 56 HA -0.09 0.15 0.60 -0.75 4.56 4.46 1cl1A1 TYR 56 HB2 -0.37 0.17 -0.14 -0.04 3.06 2.68 1cl1A1 TYR 56 HB3 0.18 -0.03 0.02 -0.04 2.98 3.11 1cl1A1 TYR 56 HD2 0.03 0.05 0.06 -0.04 7.15 7.25 1cl1A1 TYR 56 HE2 -0.01 0.01 -0.06 -0.04 6.85 6.75 1cl1A1 GLY 57 H -0.69 0.70 0.21 -0.55 8.43 8.10 1cl1A1 GLY 57 HA2 -0.21 0.02 0.24 -0.51 4.01 3.55 1cl1A1 GLY 57 HA3 -0.42 0.10 0.45 -0.51 4.01 3.63 1cl1A1 ARG 58 H -0.59 0.05 -0.26 -0.55 8.46 7.11 1cl1A1 ARG 58 HA -0.06 0.07 0.35 -0.75 4.34 3.94 1cl1A1 ARG 58 HB2 0.18 -0.08 0.06 -0.04 1.90 2.02 1cl1A1 ARG 58 HB3 0.43 0.04 -0.04 -0.04 1.80 2.19 1cl1A1 ARG 58 HG2 -0.06 0.10 -0.05 -0.04 1.67 1.63 1cl1A1 ARG 58 HG3 -0.04 -0.03 -0.02 -0.04 1.67 1.54 1cl1A1 ARG 58 HD2 -0.56 0.06 -0.02 -0.04 3.22 2.66 1cl1A1 ARG 58 HD3 -0.22 0.04 -0.00 -0.04 3.22 2.99 1cl1A1 ARG 59 H 0.20 0.24 -0.19 -0.55 8.46 8.15 1cl1A1 ARG 59 HA 0.16 0.11 0.62 -0.75 4.34 4.47 1cl1A1 ARG 59 HB2 0.27 0.02 0.23 -0.04 1.90 2.38 1cl1A1 ARG 59 HB3 0.17 0.07 0.10 -0.04 1.80 2.10 1cl1A1 ARG 59 HG2 0.19 -0.11 0.00 -0.04 1.67 1.71 1cl1A1 ARG 59 HG3 0.20 -0.03 0.06 -0.04 1.67 1.87 1cl1A1 ARG 59 HD2 -0.20 0.19 0.07 -0.04 3.22 3.25 1cl1A1 ARG 59 HD3 -0.42 0.01 0.06 -0.04 3.22 2.82 1cl1A1 GLY 60 H -0.06 0.20 -0.12 -0.55 8.43 7.91 1cl1A1 GLY 60 HA2 -0.70 0.02 0.33 -0.51 4.01 3.15 1cl1A1 GLY 60 HA3 -0.25 0.18 0.89 -0.51 4.01 4.32 1cl1A1 THR 61 H 0.07 0.02 0.21 -0.55 8.28 8.04 1cl1A1 THR 61 HA -0.30 0.26 0.77 -0.75 4.39 4.36 1cl1A1 THR 61 HB -0.09 -0.05 0.16 -0.04 4.32 4.30 1cl1A1 THR 61 HG23 -0.05 0.04 -0.14 -0.04 1.22 1.03 1cl1A1 LEU 62 H -0.13 0.21 0.14 -0.55 8.37 8.04 1cl1A1 LEU 62 HA 0.02 0.13 0.37 -0.75 4.35 4.11 1cl1A1 LEU 62 HB2 0.04 -0.04 0.11 -0.04 1.64 1.71 1cl1A1 LEU 62 HB3 0.25 0.10 0.09 -0.04 1.64 2.04 1cl1A1 LEU 62 HG 0.09 -0.08 0.10 -0.04 1.64 1.70 1cl1A1 LEU 62 HD13 0.11 0.04 0.05 -0.04 0.93 1.09 1cl1A1 LEU 62 HD23 0.35 0.02 0.01 -0.04 0.89 1.24 1cl1A1 THR 63 H -0.13 0.01 -0.23 -0.55 8.28 7.38 1cl1A1 THR 63 HA -0.10 0.21 0.39 -0.75 4.39 4.14 1cl1A1 THR 63 HB -0.30 -0.07 0.10 -0.04 4.32 4.01 1cl1A1 THR 63 HG23 -0.05 0.05 -0.04 -0.04 1.22 1.13 1cl1A1 HIS 64 H -0.19 0.07 -0.17 -0.55 8.41 7.57 1cl1A1 HIS 64 HA -0.07 0.05 0.45 -0.75 4.63 4.31 1cl1A1 HIS 64 HB2 -0.24 0.10 0.17 -0.04 3.26 3.25 1cl1A1 HIS 64 HB3 -0.01 0.10 0.07 -0.04 3.20 3.31 1cl1A1 HIS 64 HD2 -0.03 -0.02 -0.01 -0.04 6.97 6.87 1cl1A1 HIS 64 HE1 -0.09 -0.06 0.09 -0.04 7.75 7.65 1cl1A1 PHE 65 H -0.28 0.45 -0.12 -0.55 8.34 7.83 1cl1A1 PHE 65 HA -0.02 0.06 0.36 -0.75 4.62 4.26 1cl1A1 PHE 65 HB2 -0.19 0.07 0.09 -0.04 3.15 3.07 1cl1A1 PHE 65 HB3 0.04 0.01 0.00 -0.04 3.06 3.07 1cl1A1 PHE 65 HD2 0.14 -0.03 -0.13 -0.04 7.28 7.22 1cl1A1 PHE 65 HE2 0.09 0.06 -0.34 -0.04 7.38 7.14 1cl1A1 PHE 65 HZ 0.10 0.11 -0.43 -0.04 7.32 7.06 1cl1A1 SER 66 H -0.44 0.49 -0.21 -0.55 8.46 7.76 1cl1A1 SER 66 HA -0.61 0.02 0.49 -0.75 4.49 3.64 1cl1A1 SER 66 HB2 -0.63 -0.00 0.17 -0.04 3.95 3.45 1cl1A1 SER 66 HB3 -0.22 0.08 0.15 -0.04 3.93 3.90 1cl1A1 LEU 67 H -0.11 0.37 -0.18 -0.55 8.37 7.91 1cl1A1 LEU 67 HA -0.04 0.07 0.46 -0.75 4.35 4.09 1cl1A1 LEU 67 HB2 -0.06 0.07 0.11 -0.04 1.64 1.72 1cl1A1 LEU 67 HB3 -0.02 0.09 0.15 -0.04 1.64 1.83 1cl1A1 LEU 67 HG 0.01 -0.03 -0.28 -0.04 1.64 1.30 1cl1A1 LEU 67 HD13 -0.02 -0.01 -0.06 -0.04 0.93 0.80 1cl1A1 LEU 67 HD23 0.00 -0.00 -0.03 -0.04 0.89 0.81 1cl1A1 GLN 68 H 0.02 0.63 -0.10 -0.55 8.47 8.47 1cl1A1 GLN 68 HE21 0.20 0.03 0.09 -0.04 6.97 7.25 1cl1A1 GLN 68 HE22 0.15 0.33 0.20 -0.04 7.69 8.33 1cl1A1 GLN 68 HA 0.02 -0.04 0.37 -0.75 4.36 3.95 1cl1A1 GLN 68 HB2 0.09 0.10 0.16 -0.04 2.15 2.45 1cl1A1 GLN 68 HB3 0.03 -0.06 0.06 -0.04 2.02 2.02 1cl1A1 GLN 68 HG2 0.09 -0.01 -0.01 -0.04 2.40 2.43 1cl1A1 GLN 68 HG3 0.12 0.08 0.04 -0.04 2.39 2.58 1cl1A1 GLN 69 H -0.00 0.58 -0.20 -0.55 8.47 8.30 1cl1A1 GLN 69 HE21 0.15 -0.06 -0.04 -0.04 6.97 6.98 1cl1A1 GLN 69 HE22 0.10 -0.12 0.01 -0.04 7.69 7.65 1cl1A1 GLN 69 HA -0.01 0.04 0.40 -0.75 4.36 4.04 1cl1A1 GLN 69 HB2 0.09 0.04 0.12 -0.04 2.15 2.36 1cl1A1 GLN 69 HB3 0.05 0.16 0.21 -0.04 2.02 2.41 1cl1A1 GLN 69 HG2 0.06 -0.07 -0.19 -0.04 2.40 2.16 1cl1A1 GLN 69 HG3 0.05 0.00 0.04 -0.04 2.39 2.43 1cl1A1 ALA 70 H -0.01 0.52 -0.18 -0.55 8.40 8.18 1cl1A1 ALA 70 HA 0.00 -0.07 0.35 -0.75 4.34 3.88 1cl1A1 ALA 70 HB3 -0.01 0.07 -0.06 -0.04 1.41 1.37 1cl1A1 MET 71 H -0.01 0.61 -0.17 -0.55 8.47 8.35 1cl1A1 MET 71 HA 0.00 0.03 0.38 -0.75 4.52 4.18 1cl1A1 MET 71 HB2 -0.00 0.11 0.05 -0.04 2.15 2.26 1cl1A1 MET 71 HB3 0.01 -0.09 -0.08 -0.04 2.03 1.83 1cl1A1 MET 71 HG2 0.01 0.26 -0.01 -0.04 2.63 2.85 1cl1A1 MET 71 HG3 0.03 -0.10 -0.12 -0.04 2.56 2.33 1cl1A1 MET 71 HE3 0.03 -0.02 -0.11 -0.04 2.10 1.96 1cl1A1 CYS 72 H -0.04 0.55 -0.22 -0.55 8.50 8.24 1cl1A1 CYS 72 HA -0.08 -0.07 0.37 -0.75 4.58 4.05 1cl1A1 CYS 72 HB2 -0.08 0.10 0.08 -0.04 2.97 3.03 1cl1A1 CYS 72 HB3 -0.12 0.16 -0.09 -0.04 2.97 2.87 1cl1A1 GLU 73 H -0.03 0.47 -0.21 -0.55 8.60 8.28 1cl1A1 GLU 73 HA -0.03 0.10 0.59 -0.75 4.29 4.19 1cl1A1 GLU 73 HB2 -0.01 -0.03 0.07 -0.04 2.09 2.08 1cl1A1 GLU 73 HB3 -0.02 -0.02 0.09 -0.04 1.99 2.00 1cl1A1 GLU 73 HG2 -0.00 0.23 0.24 -0.04 2.34 2.77 1cl1A1 GLU 73 HG3 -0.00 0.06 0.06 -0.04 2.34 2.41 1cl1A1 LEU 74 H -0.01 0.48 -0.15 -0.55 8.37 8.14 1cl1A1 LEU 74 HA -0.01 0.04 0.35 -0.75 4.35 3.98 1cl1A1 LEU 74 HB2 0.00 0.00 0.10 -0.04 1.64 1.71 1cl1A1 LEU 74 HB3 0.01 -0.04 -0.04 -0.04 1.64 1.53 1cl1A1 LEU 74 HG 0.00 0.21 0.05 -0.04 1.64 1.86 1cl1A1 LEU 74 HD13 0.01 -0.02 -0.06 -0.04 0.93 0.81 1cl1A1 LEU 74 HD23 0.00 -0.01 -0.11 -0.04 0.89 0.73 1cl1A1 GLU 75 H -0.02 0.50 -0.15 -0.55 8.60 8.40 1cl1A1 GLU 75 HA -0.01 0.22 0.86 -0.75 4.29 4.60 1cl1A1 GLU 75 HB2 -0.01 0.06 0.04 -0.04 2.09 2.14 1cl1A1 GLU 75 HB3 -0.00 -0.13 0.10 -0.04 1.99 1.92 1cl1A1 GLU 75 HG2 0.02 0.23 -0.08 -0.04 2.34 2.46 1cl1A1 GLU 75 HG3 0.01 0.01 -0.08 -0.04 2.34 2.24 1cl1A1 GLY 76 H -0.03 0.25 -0.42 -0.55 8.43 7.68 1cl1A1 GLY 76 HA2 -0.05 0.08 0.32 -0.51 4.01 3.86 1cl1A1 GLY 76 HA3 -0.05 -0.02 0.37 -0.51 4.01 3.80 1cl1A1 GLY 77 H -0.07 0.33 0.09 -0.55 8.43 8.24 1cl1A1 GLY 77 HA2 -0.06 0.17 0.83 -0.51 4.01 4.43 1cl1A1 GLY 77 HA3 -0.09 -0.03 0.22 -0.51 4.01 3.60 1cl1A1 ALA 78 H -0.13 0.55 0.39 -0.55 8.40 8.67 1cl1A1 ALA 78 HA -0.20 0.14 0.66 -0.75 4.34 4.19 1cl1A1 ALA 78 HB3 -0.05 -0.01 -0.05 -0.04 1.41 1.26 1cl1A1 GLY 79 H -0.46 0.30 0.14 -0.55 8.43 7.86 1cl1A1 GLY 79 HA2 -0.97 0.16 0.52 -0.51 4.01 3.21 1cl1A1 GLY 79 HA3 -2.70 0.04 0.26 -0.51 4.01 1.10 1cl1A1 CYS 80 H -0.21 0.27 0.14 -0.55 8.50 8.15 1cl1A1 CYS 80 HA 0.01 0.27 1.08 -0.75 4.58 5.19 1cl1A1 CYS 80 HB2 -0.05 0.01 -0.12 -0.04 2.97 2.77 1cl1A1 CYS 80 HB3 -0.01 -0.02 0.13 -0.04 2.97 3.03 1cl1A1 VAL 81 H 0.18 0.69 0.32 -0.55 8.24 8.88 1cl1A1 VAL 81 HA 0.09 0.19 0.88 -0.75 4.13 4.54 1cl1A1 VAL 81 HB 0.28 -0.07 0.04 -0.04 2.12 2.33 1cl1A1 VAL 81 HG13 -0.26 0.05 -0.11 -0.04 0.97 0.62 1cl1A1 VAL 81 HG23 0.33 0.01 -0.18 -0.04 0.95 1.07 1cl1A1 LEU 82 H -0.12 0.26 0.15 -0.55 8.37 8.11 1cl1A1 LEU 82 HA 0.06 0.20 0.99 -0.75 4.35 4.85 1cl1A1 LEU 82 HB2 -0.01 0.03 0.05 -0.04 1.64 1.67 1cl1A1 LEU 82 HB3 0.05 -0.03 0.00 -0.04 1.64 1.62 1cl1A1 LEU 82 HG 0.07 0.06 -0.15 -0.04 1.64 1.57 1cl1A1 LEU 82 HD13 0.14 0.01 -0.02 -0.04 0.93 1.02 1cl1A1 LEU 82 HD23 0.07 0.01 -0.19 -0.04 0.89 0.74 1cl1A1 PHE 83 H 0.19 0.55 0.27 -0.55 8.34 8.80 1cl1A1 PHE 83 HA 0.04 0.27 0.68 -0.75 4.62 4.85 1cl1A1 PHE 83 HB2 0.03 -0.14 -0.08 -0.04 3.15 2.91 1cl1A1 PHE 83 HB3 0.02 -0.07 -0.07 -0.04 3.06 2.89 1cl1A1 PHE 83 HD2 0.04 0.00 -0.37 -0.04 7.28 6.91 1cl1A1 PHE 83 HE2 0.06 0.03 -0.22 -0.04 7.38 7.21 1cl1A1 PHE 83 HZ 0.09 0.05 -0.21 -0.04 7.32 7.21 1cl1A1 PRO 84 HA 0.06 0.10 0.47 -0.51 4.44 4.56 1cl1A1 PRO 84 HB2 0.06 -0.08 -0.03 -0.04 2.28 2.19 1cl1A1 PRO 84 HB3 0.04 0.06 0.14 -0.04 2.02 2.23 1cl1A1 PRO 84 HG2 0.08 0.07 0.10 -0.04 2.03 2.24 1cl1A1 PRO 84 HG3 0.06 0.25 0.21 -0.04 2.03 2.51 1cl1A1 PRO 84 HD2 0.22 -0.02 0.15 -0.04 3.68 3.99 1cl1A1 PRO 84 HD3 0.18 0.20 0.24 -0.04 3.65 4.23 1cl1A1 CYS 85 H 0.11 0.25 -0.22 -0.55 8.50 8.10 1cl1A1 CYS 85 HA 0.02 0.03 0.10 -0.75 4.58 3.98 1cl1A1 CYS 85 HB2 -0.01 -0.10 0.12 -0.04 2.97 2.95 1cl1A1 CYS 85 HB3 0.01 0.33 -0.12 -0.04 2.97 3.16 1cl1A1 GLY 86 H -0.04 0.21 0.07 -0.55 8.43 8.12 1cl1A1 GLY 86 HA2 -0.04 0.16 0.47 -0.51 4.01 4.09 1cl1A1 GLY 86 HA3 -0.07 0.06 0.37 -0.51 4.01 3.85 1cl1A1 ALA 87 H -0.01 0.11 -0.16 -0.55 8.40 7.80 1cl1A1 ALA 87 HA 0.02 0.09 0.37 -0.75 4.34 4.07 1cl1A1 ALA 87 HB3 0.05 0.05 -0.01 -0.04 1.41 1.45 1cl1A1 ALA 88 H -0.03 0.03 -0.37 -0.55 8.40 7.48 1cl1A1 ALA 88 HA -0.10 0.15 0.42 -0.75 4.34 4.06 1cl1A1 ALA 88 HB3 0.07 0.03 0.03 -0.04 1.41 1.50 1cl1A1 ALA 89 H -0.20 0.23 -0.33 -0.55 8.40 7.55 1cl1A1 ALA 89 HA -2.03 0.13 0.25 -0.75 4.34 1.94 1cl1A1 ALA 89 HB3 -0.27 0.02 -0.04 -0.04 1.41 1.08 1cl1A1 VAL 90 H -0.18 0.39 -0.23 -0.55 8.24 7.67 1cl1A1 VAL 90 HA 0.01 0.06 0.33 -0.75 4.13 3.77 1cl1A1 VAL 90 HB -0.08 0.04 0.13 -0.04 2.12 2.17 1cl1A1 VAL 90 HG13 -0.14 0.00 -0.17 -0.04 0.97 0.63 1cl1A1 VAL 90 HG23 0.14 0.02 -0.02 -0.04 0.95 1.04 1cl1A1 ALA 91 H -0.33 0.51 -0.06 -0.55 8.40 7.98 1cl1A1 ALA 91 HA -1.34 0.03 0.32 -0.75 4.34 2.60 1cl1A1 ALA 91 HB3 -0.79 0.01 0.06 -0.04 1.41 0.65 1cl1A1 ASN 92 H -0.28 0.51 -0.26 -0.55 8.53 7.95 1cl1A1 ASN 92 HD21 0.04 0.01 -0.02 -0.04 7.03 7.02 1cl1A1 ASN 92 HD22 -0.01 0.13 0.09 -0.04 7.74 7.91 1cl1A1 ASN 92 HA -0.03 0.08 0.41 -0.75 4.76 4.47 1cl1A1 ASN 92 HB2 -0.02 0.15 0.05 -0.04 2.88 3.02 1cl1A1 ASN 92 HB3 0.25 0.00 -0.04 -0.04 2.79 2.96 1cl1A1 SER 93 H -0.16 0.41 -0.30 -0.55 8.46 7.86 1cl1A1 SER 93 HA 0.19 0.05 0.38 -0.75 4.49 4.36 1cl1A1 SER 93 HB2 0.07 0.04 0.09 -0.04 3.95 4.12 1cl1A1 SER 93 HB3 0.21 -0.06 -0.07 -0.04 3.93 3.97 1cl1A1 ILE 94 H 0.04 0.45 -0.21 -0.55 8.25 7.98 1cl1A1 ILE 94 HA 0.23 0.04 0.36 -0.75 4.18 4.06 1cl1A1 ILE 94 HB 0.18 0.11 0.09 -0.04 1.89 2.23 1cl1A1 ILE 94 HG12 0.17 -0.03 -0.07 -0.04 1.49 1.52 1cl1A1 ILE 94 HG13 0.11 0.06 -0.01 -0.04 1.21 1.33 1cl1A1 ILE 94 HG23 0.22 -0.01 -0.20 -0.04 0.93 0.90 1cl1A1 ILE 94 HD13 -0.13 -0.03 -0.12 -0.04 0.88 0.55 1cl1A1 LEU 95 H 0.11 0.51 -0.12 -0.55 8.37 8.33 1cl1A1 LEU 95 HA 0.16 -0.00 0.26 -0.75 4.35 4.02 1cl1A1 LEU 95 HB2 0.19 0.05 0.08 -0.04 1.64 1.91 1cl1A1 LEU 95 HB3 0.08 0.06 0.03 -0.04 1.64 1.76 1cl1A1 LEU 95 HG 0.07 0.06 -0.11 -0.04 1.64 1.62 1cl1A1 LEU 95 HD13 0.15 -0.02 -0.05 -0.04 0.93 0.98 1cl1A1 LEU 95 HD23 0.09 -0.02 -0.08 -0.04 0.89 0.84 1cl1A1 ALA 96 H 0.07 0.37 -0.51 -0.55 8.40 7.78 1cl1A1 ALA 96 HA -0.09 0.01 0.32 -0.75 4.34 3.83 1cl1A1 ALA 96 HB3 -0.21 0.03 0.04 -0.04 1.41 1.22 1cl1A1 PHE 97 H 0.19 0.36 -0.41 -0.55 8.34 7.93 1cl1A1 PHE 97 HA 0.05 0.22 1.01 -0.75 4.62 5.14 1cl1A1 PHE 97 HB2 0.06 0.03 0.02 -0.04 3.15 3.22 1cl1A1 PHE 97 HB3 0.05 -0.01 0.06 -0.04 3.06 3.12 1cl1A1 PHE 97 HD2 0.07 0.19 0.01 -0.04 7.28 7.50 1cl1A1 PHE 97 HE2 0.08 -0.06 -0.03 -0.04 7.38 7.34 1cl1A1 PHE 97 HZ 0.10 0.01 -0.00 -0.04 7.32 7.39 1cl1A1 ILE 98 H 0.13 0.23 -0.09 -0.55 8.25 7.97 1cl1A1 ILE 98 HA 0.10 0.16 0.74 -0.75 4.18 4.42 1cl1A1 ILE 98 HB 0.05 -0.00 -0.04 -0.04 1.89 1.85 1cl1A1 ILE 98 HG12 0.09 -0.12 -0.19 -0.04 1.49 1.23 1cl1A1 ILE 98 HG13 0.11 0.13 0.03 -0.04 1.21 1.45 1cl1A1 ILE 98 HG23 0.07 -0.01 -0.12 -0.04 0.93 0.83 1cl1A1 ILE 98 HD13 0.05 -0.01 -0.25 -0.04 0.88 0.63 1cl1A1 GLU 99 H 0.05 0.23 0.18 -0.55 8.60 8.51 1cl1A1 GLU 99 HA 0.03 0.12 0.68 -0.75 4.29 4.36 1cl1A1 GLU 99 HB2 0.03 0.00 -0.02 -0.04 2.09 2.06 1cl1A1 GLU 99 HB3 0.02 -0.01 0.07 -0.04 1.99 2.03 1cl1A1 GLU 99 HG2 0.03 0.03 -0.07 -0.04 2.34 2.29 1cl1A1 GLU 99 HG3 0.05 0.05 -0.63 -0.04 2.34 1.77 1cl1A1 GLN 100 H 0.02 0.09 0.13 -0.55 8.47 8.16 1cl1A1 GLN 100 HE21 0.00 -0.04 -0.01 -0.04 6.97 6.88 1cl1A1 GLN 100 HE22 0.00 0.01 -0.03 -0.04 7.69 7.64 1cl1A1 GLN 100 HA 0.01 0.21 0.46 -0.75 4.36 4.28 1cl1A1 GLN 100 HB2 0.01 0.02 0.17 -0.04 2.15 2.31 1cl1A1 GLN 100 HB3 0.01 -0.06 0.16 -0.04 2.02 2.09 1cl1A1 GLN 100 HG2 0.01 0.02 -0.09 -0.04 2.40 2.30 1cl1A1 GLN 100 HG3 0.00 0.06 0.04 -0.04 2.39 2.45 1cl1A1 GLY 101 H 0.01 0.68 0.37 -0.55 8.43 8.94 1cl1A1 GLY 101 HA2 0.01 -0.03 0.44 -0.51 4.01 3.92 1cl1A1 GLY 101 HA3 0.01 0.06 0.64 -0.51 4.01 4.22 1cl1A1 ASP 102 H 0.02 0.41 -0.03 -0.55 8.40 8.26 1cl1A1 ASP 102 HA 0.05 0.19 0.71 -0.75 4.63 4.82 1cl1A1 ASP 102 HB2 0.03 -0.01 0.15 -0.04 2.71 2.83 1cl1A1 ASP 102 HB3 0.03 -0.06 0.14 -0.04 2.70 2.77 1cl1A1 HIS 103 H 0.08 0.49 0.37 -0.55 8.41 8.81 1cl1A1 HIS 103 HA -0.05 0.27 0.96 -0.75 4.63 5.06 1cl1A1 HIS 103 HB2 -0.02 0.04 -0.15 -0.04 3.26 3.08 1cl1A1 HIS 103 HB3 -0.02 -0.05 -0.28 -0.04 3.20 2.81 1cl1A1 HIS 103 HD2 -0.07 -0.01 -0.24 -0.04 6.97 6.59 1cl1A1 HIS 103 HE1 -0.01 0.10 -0.12 -0.04 7.75 7.68 1cl1A1 VAL 104 H -0.38 0.71 0.38 -0.55 8.24 8.40 1cl1A1 VAL 104 HA -0.23 0.14 1.02 -0.75 4.13 4.30 1cl1A1 VAL 104 HB -0.27 -0.00 0.08 -0.04 2.12 1.89 1cl1A1 VAL 104 HG13 -0.14 -0.02 -0.23 -0.04 0.97 0.54 1cl1A1 VAL 104 HG23 -0.07 0.00 -0.18 -0.04 0.95 0.66 1cl1A1 LEU 105 H -0.19 0.69 0.31 -0.55 8.37 8.63 1cl1A1 LEU 105 HA -0.22 0.27 0.93 -0.75 4.35 4.57 1cl1A1 LEU 105 HB2 -0.07 0.04 -0.04 -0.04 1.64 1.53 1cl1A1 LEU 105 HB3 -0.02 -0.05 0.22 -0.04 1.64 1.75 1cl1A1 LEU 105 HG 0.17 -0.11 -0.25 -0.04 1.64 1.42 1cl1A1 LEU 105 HD13 0.10 0.07 -0.20 -0.04 0.93 0.86 1cl1A1 LEU 105 HD23 -0.07 0.01 -0.20 -0.04 0.89 0.59 1cl1A1 MET 106 H -0.19 0.67 0.32 -0.55 8.47 8.73 1cl1A1 MET 106 HA 0.23 0.17 1.08 -0.75 4.52 5.25 1cl1A1 MET 106 HB2 -0.14 -0.03 -0.19 -0.04 2.15 1.76 1cl1A1 MET 106 HB3 -0.30 0.05 -0.03 -0.04 2.03 1.70 1cl1A1 MET 106 HG2 0.29 0.26 -0.15 -0.04 2.63 2.99 1cl1A1 MET 106 HG3 0.28 -0.06 0.01 -0.04 2.56 2.75 1cl1A1 MET 106 HE3 -0.56 0.01 -0.15 -0.04 2.10 1.36 1cl1A1 THR 107 H 0.04 0.50 0.27 -0.55 8.28 8.54 1cl1A1 THR 107 HA -1.30 0.15 0.52 -0.75 4.39 3.01 1cl1A1 THR 107 HB -0.35 0.05 0.15 -0.04 4.32 4.14 1cl1A1 THR 107 HG23 0.16 -0.00 0.02 -0.04 1.22 1.36 1cl1A1 ASN 108 H -0.18 0.64 0.33 -0.55 8.53 8.78 1cl1A1 ASN 108 HD21 0.02 -0.15 -0.17 -0.04 7.03 6.69 1cl1A1 ASN 108 HD22 0.02 0.36 -0.41 -0.04 7.74 7.67 1cl1A1 ASN 108 HA 0.05 0.16 0.58 -0.75 4.76 4.79 1cl1A1 ASN 108 HB2 -0.13 -0.02 0.03 -0.04 2.88 2.72 1cl1A1 ASN 108 HB3 0.06 0.08 -0.03 -0.04 2.79 2.86 1cl1A1 THR 109 H -0.03 -0.01 -0.39 -0.55 8.28 7.29 1cl1A1 THR 109 HA -0.02 0.32 0.76 -0.75 4.39 4.69 1cl1A1 THR 109 HB -0.04 -0.13 0.20 -0.04 4.32 4.32 1cl1A1 THR 109 HG23 -0.03 0.01 -0.02 -0.04 1.22 1.14 1cl1A1 ALA 110 H 0.07 0.34 -0.45 -0.55 8.40 7.80 1cl1A1 ALA 110 HA 0.18 -0.07 0.45 -0.75 4.34 4.15 1cl1A1 ALA 110 HB3 0.23 0.02 -0.02 -0.04 1.41 1.59 1cl1A1 TYR 111 H 0.31 0.05 0.15 -0.55 8.29 8.25 1cl1A1 TYR 111 HA 0.07 0.04 0.42 -0.75 4.56 4.34 1cl1A1 TYR 111 HB2 0.14 0.04 0.16 -0.04 3.06 3.36 1cl1A1 TYR 111 HB3 0.10 -0.06 0.13 -0.04 2.98 3.11 1cl1A1 TYR 111 HD2 0.08 -0.00 0.00 -0.04 7.15 7.19 1cl1A1 TYR 111 HE2 0.05 0.00 -0.01 -0.04 6.85 6.86 1cl1A1 GLU 112 H -0.19 0.12 0.18 -0.55 8.60 8.16 1cl1A1 GLU 112 HA -0.13 0.19 0.32 -0.75 4.29 3.91 1cl1A1 GLU 112 HB2 -0.16 0.08 0.14 -0.04 2.09 2.12 1cl1A1 GLU 112 HB3 -0.30 -0.04 0.11 -0.04 1.99 1.72 1cl1A1 GLU 112 HG2 -0.16 -0.07 -0.24 -0.04 2.34 1.83 1cl1A1 GLU 112 HG3 -0.14 0.07 0.02 -0.04 2.34 2.25 1cl1A1 PRO 113 HA -0.11 0.11 0.44 -0.51 4.44 4.37 1cl1A1 PRO 113 HB2 -0.06 -0.05 -0.03 -0.04 2.28 2.11 1cl1A1 PRO 113 HB3 -0.06 0.06 0.03 -0.04 2.02 2.02 1cl1A1 PRO 113 HG2 -0.41 0.01 0.02 -0.04 2.03 1.60 1cl1A1 PRO 113 HG3 -0.27 0.11 0.02 -0.04 2.03 1.85 1cl1A1 PRO 113 HD2 -2.08 -0.01 -0.06 -0.04 3.68 1.49 1cl1A1 PRO 113 HD3 -0.65 0.14 0.08 -0.04 3.65 3.17 1cl1A1 SER 114 H 0.02 0.29 -0.39 -0.55 8.46 7.83 1cl1A1 SER 114 HA 0.07 0.02 0.36 -0.75 4.49 4.19 1cl1A1 SER 114 HB2 0.10 0.15 -0.02 -0.04 3.95 4.14 1cl1A1 SER 114 HB3 -0.13 0.02 -0.04 -0.04 3.93 3.73 1cl1A1 GLN 115 H 0.04 0.38 -0.23 -0.55 8.47 8.11 1cl1A1 GLN 115 HE21 -0.19 0.49 0.07 -0.04 6.97 7.30 1cl1A1 GLN 115 HE22 -0.05 0.12 -0.15 -0.04 7.69 7.57 1cl1A1 GLN 115 HA 0.42 0.05 0.35 -0.75 4.36 4.42 1cl1A1 GLN 115 HB2 -0.09 0.11 0.11 -0.04 2.15 2.25 1cl1A1 GLN 115 HB3 -0.22 0.01 -0.04 -0.04 2.02 1.72 1cl1A1 GLN 115 HG2 0.15 -0.03 -0.10 -0.04 2.40 2.38 1cl1A1 GLN 115 HG3 0.02 0.03 -0.23 -0.04 2.39 2.16 1cl1A1 ASP 116 H 0.01 0.57 -0.10 -0.55 8.40 8.33 1cl1A1 ASP 116 HA 0.02 0.06 0.36 -0.75 4.63 4.31 1cl1A1 ASP 116 HB2 -0.01 0.02 0.10 -0.04 2.71 2.78 1cl1A1 ASP 116 HB3 0.00 -0.01 -0.05 -0.04 2.70 2.61 1cl1A1 PHE 117 H 0.17 0.49 -0.31 -0.55 8.34 8.13 1cl1A1 PHE 117 HA -0.00 0.01 0.40 -0.75 4.62 4.28 1cl1A1 PHE 117 HB2 -0.01 -0.04 0.09 -0.04 3.15 3.14 1cl1A1 PHE 117 HB3 -0.03 0.15 0.15 -0.04 3.06 3.29 1cl1A1 PHE 117 HD2 -0.04 0.03 -0.04 -0.04 7.28 7.19 1cl1A1 PHE 117 HE2 -0.02 0.03 -0.07 -0.04 7.38 7.27 1cl1A1 PHE 117 HZ -0.00 0.07 -0.04 -0.04 7.32 7.31 1cl1A1 CYS 118 H 0.07 0.41 -0.27 -0.55 8.50 8.16 1cl1A1 CYS 118 HA -0.46 -0.02 0.35 -0.75 4.58 3.70 1cl1A1 CYS 118 HB2 0.13 0.14 0.13 -0.04 2.97 3.34 1cl1A1 CYS 118 HB3 -0.16 -0.00 -0.07 -0.04 2.97 2.70 1cl1A1 SER 119 H 0.09 0.56 -0.05 -0.55 8.46 8.51 1cl1A1 SER 119 HA 0.04 0.09 0.45 -0.75 4.49 4.32 1cl1A1 SER 119 HB2 0.08 -0.01 0.05 -0.04 3.95 4.03 1cl1A1 SER 119 HB3 0.24 -0.00 0.05 -0.04 3.93 4.18 1cl1A1 LYS 120 H -0.05 0.50 -0.21 -0.55 8.42 8.11 1cl1A1 LYS 120 HA -0.03 0.20 0.93 -0.75 4.32 4.67 1cl1A1 LYS 120 HB2 -0.01 0.08 0.05 -0.04 1.87 1.95 1cl1A1 LYS 120 HB3 -0.01 -0.04 0.01 -0.04 1.79 1.71 1cl1A1 LYS 120 HG2 -0.01 0.02 -0.06 -0.04 1.46 1.36 1cl1A1 LYS 120 HG3 -0.00 -0.05 -0.11 -0.04 1.46 1.26 1cl1A1 LYS 120 HD2 -0.00 -0.03 -0.05 -0.04 1.69 1.57 1cl1A1 LYS 120 HD3 -0.01 -0.02 -0.03 -0.04 1.68 1.58 1cl1A1 LYS 120 HE2 -0.02 0.02 -0.04 -0.04 2.99 2.91 1cl1A1 LYS 120 HE3 -0.02 -0.01 -0.03 -0.04 2.99 2.89 1cl1A1 ILE 121 H -0.19 0.46 0.06 -0.55 8.25 8.03 1cl1A1 ILE 121 HA -0.06 0.21 0.96 -0.75 4.18 4.53 1cl1A1 ILE 121 HB -0.51 0.08 0.17 -0.04 1.89 1.59 1cl1A1 ILE 121 HG12 0.03 -0.02 0.00 -0.04 1.49 1.46 1cl1A1 ILE 121 HG13 0.24 -0.06 -0.00 -0.04 1.21 1.35 1cl1A1 ILE 121 HG23 0.05 -0.00 -0.13 -0.04 0.93 0.81 1cl1A1 ILE 121 HD13 0.04 0.03 -0.12 -0.04 0.88 0.78 1cl1A1 LEU 122 H -0.50 0.37 0.16 -0.55 8.37 7.85 1cl1A1 LEU 122 HA -0.16 0.05 0.29 -0.75 4.35 3.77 1cl1A1 LEU 122 HB2 -0.28 0.21 0.14 -0.04 1.64 1.66 1cl1A1 LEU 122 HB3 -0.16 -0.00 -0.09 -0.04 1.64 1.35 1cl1A1 LEU 122 HG -1.03 -0.02 -0.07 -0.04 1.64 0.48 1cl1A1 LEU 122 HD13 -0.11 -0.01 -0.13 -0.04 0.93 0.63 1cl1A1 LEU 122 HD23 -0.05 0.00 -0.12 -0.04 0.89 0.68 1cl1A1 SER 123 H -0.12 0.24 -0.36 -0.55 8.46 7.68 1cl1A1 SER 123 HA -0.05 0.29 0.40 -0.75 4.49 4.38 1cl1A1 SER 123 HB2 -0.02 -0.06 0.06 -0.04 3.95 3.89 1cl1A1 SER 123 HB3 -0.03 0.03 0.12 -0.04 3.93 4.01 1cl1A1 LYS 124 H -0.05 0.28 -0.47 -0.55 8.42 7.63 1cl1A1 LYS 124 HA -0.02 0.07 0.44 -0.75 4.32 4.06 1cl1A1 LYS 124 HB2 -0.01 -0.06 0.14 -0.04 1.87 1.90 1cl1A1 LYS 124 HB3 -0.02 -0.00 0.07 -0.04 1.79 1.80 1cl1A1 LYS 124 HG2 -0.04 0.30 0.09 -0.04 1.46 1.77 1cl1A1 LYS 124 HG3 -0.02 -0.02 -0.17 -0.04 1.46 1.20 1cl1A1 LYS 124 HD2 -0.01 -0.07 0.03 -0.04 1.69 1.60 1cl1A1 LYS 124 HD3 -0.01 0.05 0.08 -0.04 1.68 1.75 1cl1A1 LYS 124 HE2 -0.00 0.00 0.07 -0.04 2.99 3.02 1cl1A1 LYS 124 HE3 0.00 -0.01 -0.02 -0.04 2.99 2.92 1cl1A1 LEU 125 H -0.04 0.48 -0.54 -0.55 8.37 7.72 1cl1A1 LEU 125 HA -0.01 0.14 0.77 -0.75 4.35 4.50 1cl1A1 LEU 125 HB2 -0.03 0.07 0.03 -0.04 1.64 1.67 1cl1A1 LEU 125 HB3 -0.00 -0.05 0.10 -0.04 1.64 1.65 1cl1A1 LEU 125 HG -0.03 0.13 -0.14 -0.04 1.64 1.56 1cl1A1 LEU 125 HD13 0.01 -0.03 -0.12 -0.04 0.93 0.74 1cl1A1 LEU 125 HD23 0.00 0.01 -0.11 -0.04 0.89 0.76 1cl1A1 GLY 126 H -0.02 0.32 -0.29 -0.55 8.43 7.89 1cl1A1 GLY 126 HA2 -0.01 0.05 0.29 -0.51 4.01 3.84 1cl1A1 GLY 126 HA3 -0.00 -0.01 0.44 -0.51 4.01 3.93 1cl1A1 VAL 127 H -0.03 0.37 -0.13 -0.55 8.24 7.90 1cl1A1 VAL 127 HA -0.00 0.27 0.91 -0.75 4.13 4.55 1cl1A1 VAL 127 HB -0.06 -0.05 -0.10 -0.04 2.12 1.87 1cl1A1 VAL 127 HG13 -0.04 0.01 -0.25 -0.04 0.97 0.64 1cl1A1 VAL 127 HG23 -0.00 0.03 -0.27 -0.04 0.95 0.67 1cl1A1 THR 128 H 0.01 0.57 0.24 -0.55 8.28 8.55 1cl1A1 THR 128 HA -0.02 0.17 0.91 -0.75 4.39 4.71 1cl1A1 THR 128 HB 0.05 -0.00 -0.00 -0.04 4.32 4.32 1cl1A1 THR 128 HG23 0.01 0.01 -0.12 -0.04 1.22 1.08 1cl1A1 THR 129 H -0.06 0.22 0.15 -0.55 8.28 8.04 1cl1A1 THR 129 HA -0.33 0.31 1.08 -0.75 4.39 4.70 1cl1A1 THR 129 HB -0.30 -0.03 -0.02 -0.04 4.32 3.93 1cl1A1 THR 129 HG23 -1.16 -0.00 -0.15 -0.04 1.22 -0.13 1cl1A1 SER 130 H -0.40 0.59 0.39 -0.55 8.46 8.49 1cl1A1 SER 130 HA -0.27 0.13 0.74 -0.75 4.49 4.34 1cl1A1 SER 130 HB2 0.08 0.00 0.14 -0.04 3.95 4.13 1cl1A1 SER 130 HB3 0.09 0.02 -0.04 -0.04 3.93 3.95 1cl1A1 TRP 131 H 0.17 0.18 0.15 -0.55 7.97 7.92 1cl1A1 TRP 131 HE1 -0.00 0.06 -0.09 -0.04 10.20 10.12 1cl1A1 TRP 131 HA 0.02 0.32 1.06 -0.75 4.62 5.26 1cl1A1 TRP 131 HB2 -0.03 0.14 -0.16 -0.04 3.23 3.13 1cl1A1 TRP 131 HB3 -0.08 0.01 -0.04 -0.04 3.23 3.07 1cl1A1 TRP 131 HD1 0.01 -0.00 -0.07 -0.04 7.22 7.12 1cl1A1 TRP 131 HE3 -0.06 0.13 -0.30 -0.04 7.59 7.32 1cl1A1 TRP 131 HZ2 -0.03 0.01 -0.09 -0.04 7.44 7.29 1cl1A1 TRP 131 HZ3 -0.05 -0.08 -0.13 -0.04 7.13 6.83 1cl1A1 TRP 131 HH2 -0.05 0.03 0.03 -0.04 7.19 7.15 1cl1A1 PHE 132 H -0.05 0.34 0.23 -0.55 8.34 8.32 1cl1A1 PHE 132 HA -0.16 0.25 0.85 -0.75 4.62 4.81 1cl1A1 PHE 132 HB2 -0.14 -0.02 0.03 -0.04 3.15 2.98 1cl1A1 PHE 132 HB3 -0.37 0.11 -0.26 -0.04 3.06 2.50 1cl1A1 PHE 132 HD2 -0.02 0.16 -0.37 -0.04 7.28 7.01 1cl1A1 PHE 132 HE2 -0.12 0.02 -0.25 -0.04 7.38 6.99 1cl1A1 PHE 132 HZ -0.17 -0.03 -0.18 -0.04 7.32 6.90 1cl1A1 ASP 133 H 0.21 0.21 0.13 -0.55 8.40 8.41 1cl1A1 ASP 133 HA 0.07 0.13 0.53 -0.75 4.63 4.61 1cl1A1 ASP 133 HB2 0.12 0.15 0.12 -0.04 2.71 3.06 1cl1A1 ASP 133 HB3 0.18 -0.03 0.10 -0.04 2.70 2.91 1cl1A1 PRO 134 HA 0.39 0.07 0.28 -0.51 4.44 4.67 1cl1A1 PRO 134 HB2 0.07 0.04 -0.12 -0.04 2.28 2.23 1cl1A1 PRO 134 HB3 -0.02 0.06 -0.04 -0.04 2.02 1.98 1cl1A1 PRO 134 HG2 -0.00 0.07 0.05 -0.04 2.03 2.11 1cl1A1 PRO 134 HG3 0.00 -0.05 0.12 -0.04 2.03 2.06 1cl1A1 PRO 134 HD2 0.06 0.12 0.15 -0.04 3.68 3.98 1cl1A1 PRO 134 HD3 0.02 0.20 0.29 -0.04 3.65 4.12 1cl1A1 LEU 135 H 0.15 0.13 -0.33 -0.55 8.37 7.77 1cl1A1 LEU 135 HA 0.15 0.15 0.74 -0.75 4.35 4.65 1cl1A1 LEU 135 HB2 0.12 0.05 -0.00 -0.04 1.64 1.76 1cl1A1 LEU 135 HB3 0.16 0.03 0.13 -0.04 1.64 1.92 1cl1A1 LEU 135 HG 0.10 -0.07 -0.10 -0.04 1.64 1.53 1cl1A1 LEU 135 HD13 0.09 0.01 -0.01 -0.04 0.93 0.98 1cl1A1 LEU 135 HD23 0.18 0.00 -0.16 -0.04 0.89 0.87 1cl1A1 ILE 136 H 0.20 0.43 -0.38 -0.55 8.25 7.96 1cl1A1 ILE 136 HA 0.11 0.08 0.27 -0.75 4.18 3.89 1cl1A1 ILE 136 HB 0.23 0.04 0.07 -0.04 1.89 2.18 1cl1A1 ILE 136 HG12 0.07 -0.18 -0.30 -0.04 1.49 1.04 1cl1A1 ILE 136 HG13 0.13 0.02 -0.04 -0.04 1.21 1.28 1cl1A1 ILE 136 HG23 0.06 0.04 -0.14 -0.04 0.93 0.85 1cl1A1 ILE 136 HD13 0.25 0.03 -0.21 -0.04 0.88 0.91 1cl1A1 GLY 137 H 0.03 0.08 -0.27 -0.55 8.43 7.73 1cl1A1 GLY 137 HA2 -0.08 0.03 0.27 -0.51 4.01 3.72 1cl1A1 GLY 137 HA3 -0.03 0.06 0.38 -0.51 4.01 3.92 1cl1A1 ALA 138 H -0.01 0.16 0.17 -0.55 8.40 8.18 1cl1A1 ALA 138 HA -0.04 0.15 0.28 -0.75 4.34 3.98 1cl1A1 ALA 138 HB3 -0.00 0.02 0.11 -0.04 1.41 1.50 1cl1A1 ASP 139 H 0.00 0.37 -0.37 -0.55 8.40 7.86 1cl1A1 ASP 139 HA -0.01 0.11 0.46 -0.75 4.63 4.44 1cl1A1 ASP 139 HB2 0.04 0.12 0.03 -0.04 2.71 2.85 1cl1A1 ASP 139 HB3 0.01 -0.02 0.11 -0.04 2.70 2.76 1cl1A1 ILE 140 H -0.05 0.40 -0.67 -0.55 8.25 7.38 1cl1A1 ILE 140 HA 0.05 0.03 0.29 -0.75 4.18 3.79 1cl1A1 ILE 140 HB -0.24 0.04 -0.02 -0.04 1.89 1.63 1cl1A1 ILE 140 HG12 -0.23 0.02 -0.12 -0.04 1.49 1.12 1cl1A1 ILE 140 HG13 -0.47 -0.04 -0.03 -0.04 1.21 0.62 1cl1A1 ILE 140 HG23 -0.13 0.03 -0.18 -0.04 0.93 0.61 1cl1A1 ILE 140 HD13 -0.80 -0.00 -0.13 -0.04 0.88 -0.09 1cl1A1 VAL 141 H -0.04 0.28 -0.51 -0.55 8.24 7.42 1cl1A1 VAL 141 HA -0.04 0.06 0.27 -0.75 4.13 3.67 1cl1A1 VAL 141 HB -0.03 0.04 -0.00 -0.04 2.12 2.09 1cl1A1 VAL 141 HG13 -0.03 0.04 0.03 -0.04 0.97 0.97 1cl1A1 VAL 141 HG23 -0.03 0.01 -0.05 -0.04 0.95 0.84 1cl1A1 LYS 142 H -0.08 0.41 -0.39 -0.55 8.42 7.81 1cl1A1 LYS 142 HA -0.09 0.08 0.42 -0.75 4.32 3.97 1cl1A1 LYS 142 HB2 -0.30 0.05 0.03 -0.04 1.87 1.62 1cl1A1 LYS 142 HB3 -0.22 -0.02 0.06 -0.04 1.79 1.56 1cl1A1 LYS 142 HG2 -0.07 -0.01 0.02 -0.04 1.46 1.36 1cl1A1 LYS 142 HG3 -0.07 -0.01 0.06 -0.04 1.46 1.41 1cl1A1 LYS 142 HD2 -0.07 0.00 0.03 -0.04 1.69 1.61 1cl1A1 LYS 142 HD3 -0.08 -0.01 0.02 -0.04 1.68 1.56 1cl1A1 LYS 142 HE2 -0.03 -0.02 0.02 -0.04 2.99 2.92 1cl1A1 LYS 142 HE3 -0.02 -0.03 0.01 -0.04 2.99 2.91 1cl1A1 HIS 143 H -0.04 0.45 -0.42 -0.55 8.41 7.86 1cl1A1 HIS 143 HA 0.01 0.17 0.78 -0.75 4.63 4.84 1cl1A1 HIS 143 HB2 -0.04 0.08 0.01 -0.04 3.26 3.27 1cl1A1 HIS 143 HB3 0.07 -0.06 -0.02 -0.04 3.20 3.14 1cl1A1 HIS 143 HD2 0.08 0.01 -0.02 -0.04 6.97 7.00 1cl1A1 HIS 143 HE1 0.11 -0.10 -0.01 -0.04 7.75 7.71 1cl1A1 LEU 144 H 0.02 0.19 -0.21 -0.55 8.37 7.82 1cl1A1 LEU 144 HA 0.08 -0.03 0.44 -0.75 4.35 4.09 1cl1A1 LEU 144 HB2 -0.01 0.11 0.08 -0.04 1.64 1.78 1cl1A1 LEU 144 HB3 0.01 0.06 -0.04 -0.04 1.64 1.62 1cl1A1 LEU 144 HG -0.02 0.07 -0.15 -0.04 1.64 1.50 1cl1A1 LEU 144 HD13 -0.03 -0.02 -0.13 -0.04 0.93 0.71 1cl1A1 LEU 144 HD23 -0.01 -0.00 -0.11 -0.04 0.89 0.72 1cl1A1 GLN 145 H 0.07 0.10 0.18 -0.55 8.47 8.28 1cl1A1 GLN 145 HE21 -0.31 0.00 -0.08 -0.04 6.97 6.54 1cl1A1 GLN 145 HE22 -0.21 -0.06 -0.06 -0.04 7.69 7.32 1cl1A1 GLN 145 HA -0.04 0.26 0.81 -0.75 4.36 4.63 1cl1A1 GLN 145 HB2 -0.10 -0.08 -0.01 -0.04 2.15 1.91 1cl1A1 GLN 145 HB3 -0.10 -0.04 0.07 -0.04 2.02 1.91 1cl1A1 GLN 145 HG2 -0.14 0.05 -0.10 -0.04 2.40 2.17 1cl1A1 GLN 145 HG3 -0.21 0.17 -0.32 -0.04 2.39 1.99 1cl1A1 PRO 146 HA 0.00 0.15 0.42 -0.51 4.44 4.51 1cl1A1 PRO 146 HB2 -0.00 0.02 0.01 -0.04 2.28 2.27 1cl1A1 PRO 146 HB3 -0.00 0.05 0.10 -0.04 2.02 2.12 1cl1A1 PRO 146 HG2 -0.01 0.03 0.08 -0.04 2.03 2.08 1cl1A1 PRO 146 HG3 -0.01 0.08 0.07 -0.04 2.03 2.13 1cl1A1 PRO 146 HD2 -0.03 0.07 0.18 -0.04 3.68 3.86 1cl1A1 PRO 146 HD3 -0.03 0.19 0.22 -0.04 3.65 3.99 1cl1A1 ASN 147 H 0.01 0.06 -0.29 -0.55 8.53 7.76 1cl1A1 ASN 147 HD21 0.01 -0.08 -0.12 -0.04 7.03 6.80 1cl1A1 ASN 147 HD22 0.03 0.60 0.11 -0.04 7.74 8.45 1cl1A1 ASN 147 HA 0.03 0.26 0.74 -0.75 4.76 5.03 1cl1A1 ASN 147 HB2 0.04 0.08 0.20 -0.04 2.88 3.16 1cl1A1 ASN 147 HB3 0.02 -0.01 0.02 -0.04 2.79 2.78 1cl1A1 THR 148 H 0.07 0.42 -0.48 -0.55 8.28 7.75 1cl1A1 THR 148 HA 0.16 0.06 0.54 -0.75 4.39 4.40 1cl1A1 THR 148 HB 0.07 0.13 0.13 -0.04 4.32 4.61 1cl1A1 THR 148 HG23 0.01 -0.02 -0.21 -0.04 1.22 0.97 1cl1A1 LYS 149 H 0.01 0.57 0.49 -0.55 8.42 8.94 1cl1A1 LYS 149 HA 0.02 0.18 0.75 -0.75 4.32 4.52 1cl1A1 LYS 149 HB2 0.04 0.04 0.10 -0.04 1.87 2.01 1cl1A1 LYS 149 HB3 0.03 -0.04 0.13 -0.04 1.79 1.87 1cl1A1 LYS 149 HG2 0.09 0.06 -0.05 -0.04 1.46 1.52 1cl1A1 LYS 149 HG3 0.07 -0.08 -0.14 -0.04 1.46 1.27 1cl1A1 LYS 149 HD2 0.05 -0.01 0.07 -0.04 1.69 1.76 1cl1A1 LYS 149 HD3 0.05 -0.01 -0.00 -0.04 1.68 1.68 1cl1A1 LYS 149 HE2 0.15 0.12 0.08 -0.04 2.99 3.29 1cl1A1 LYS 149 HE3 0.08 -0.07 0.02 -0.04 2.99 2.98 1cl1A1 ILE 150 H -0.03 0.25 0.30 -0.55 8.25 8.22 1cl1A1 ILE 150 HA -0.01 0.40 1.08 -0.75 4.18 4.90 1cl1A1 ILE 150 HB 0.02 -0.08 0.09 -0.04 1.89 1.88 1cl1A1 ILE 150 HG12 0.01 0.08 -0.03 -0.04 1.49 1.50 1cl1A1 ILE 150 HG13 0.06 -0.02 -0.43 -0.04 1.21 0.77 1cl1A1 ILE 150 HG23 0.14 -0.02 -0.22 -0.04 0.93 0.79 1cl1A1 ILE 150 HD13 0.17 -0.01 -0.06 -0.04 0.88 0.94 1cl1A1 VAL 151 H 0.02 0.67 0.31 -0.55 8.24 8.69 1cl1A1 VAL 151 HA 0.05 0.24 0.92 -0.75 4.13 4.58 1cl1A1 VAL 151 HB -0.01 -0.03 0.11 -0.04 2.12 2.14 1cl1A1 VAL 151 HG13 -0.03 -0.02 -0.16 -0.04 0.97 0.72 1cl1A1 VAL 151 HG23 -0.04 0.02 -0.20 -0.04 0.95 0.69 1cl1A1 PHE 152 H 0.26 0.83 0.33 -0.55 8.34 9.21 1cl1A1 PHE 152 HA 0.07 0.21 1.06 -0.75 4.62 5.21 1cl1A1 PHE 152 HB2 0.04 0.04 -0.08 -0.04 3.15 3.11 1cl1A1 PHE 152 HB3 0.07 -0.08 0.16 -0.04 3.06 3.16 1cl1A1 PHE 152 HD2 0.08 -0.02 -0.22 -0.04 7.28 7.08 1cl1A1 PHE 152 HE2 0.08 -0.05 -0.11 -0.04 7.38 7.26 1cl1A1 PHE 152 HZ 0.07 -0.11 -0.09 -0.04 7.32 7.15 1cl1A1 LEU 153 H -0.29 0.78 0.40 -0.55 8.37 8.72 1cl1A1 LEU 153 HA 0.22 0.11 0.83 -0.75 4.35 4.76 1cl1A1 LEU 153 HB2 0.01 -0.02 0.01 -0.04 1.64 1.60 1cl1A1 LEU 153 HB3 0.20 -0.07 -0.02 -0.04 1.64 1.70 1cl1A1 LEU 153 HG 0.00 0.12 -0.15 -0.04 1.64 1.58 1cl1A1 LEU 153 HD13 -0.00 -0.00 -0.14 -0.04 0.93 0.74 1cl1A1 LEU 153 HD23 -0.03 0.01 -0.22 -0.04 0.89 0.61 1cl1A1 GLU 154 H 0.43 0.26 0.02 -0.55 8.60 8.76 1cl1A1 GLU 154 HA 0.04 0.12 0.70 -0.75 4.29 4.39 1cl1A1 GLU 154 HB2 0.23 0.01 -0.07 -0.04 2.09 2.21 1cl1A1 GLU 154 HB3 0.12 -0.03 0.03 -0.04 1.99 2.07 1cl1A1 GLU 154 HG2 0.05 0.20 -0.16 -0.04 2.34 2.39 1cl1A1 GLU 154 HG3 0.12 0.14 0.12 -0.04 2.34 2.68 1cl1A1 SER 155 H -0.01 0.28 0.03 -0.55 8.46 8.21 1cl1A1 SER 155 HA -0.29 0.14 0.69 -0.75 4.49 4.28 1cl1A1 SER 155 HB2 -0.17 -0.06 -0.10 -0.04 3.95 3.58 1cl1A1 SER 155 HB3 -0.17 0.04 0.07 -0.04 3.93 3.83 1cl1A1 PRO 156 HA -0.35 0.24 0.23 -0.51 4.44 4.05 1cl1A1 PRO 156 HB2 -0.81 0.01 -0.11 -0.04 2.28 1.33 1cl1A1 PRO 156 HB3 -0.62 0.26 -0.11 -0.04 2.02 1.51 1cl1A1 PRO 156 HG2 -2.56 0.05 0.04 -0.04 2.03 -0.49 1cl1A1 PRO 156 HG3 -0.98 0.05 -0.02 -0.04 2.03 1.03 1cl1A1 PRO 156 HD2 -0.54 -0.06 0.23 -0.04 3.68 3.27 1cl1A1 PRO 156 HD3 -0.15 0.16 0.25 -0.04 3.65 3.87 1cl1A1 GLY 157 H -0.25 0.45 -0.03 -0.55 8.43 8.05 1cl1A1 GLY 157 HA2 -0.08 0.10 0.36 -0.51 4.01 3.87 1cl1A1 GLY 157 HA3 -0.12 -0.02 0.33 -0.51 4.01 3.69 1cl1A1 SER 158 H 0.03 0.48 0.21 -0.55 8.46 8.64 1cl1A1 SER 158 HA 0.03 0.03 0.42 -0.75 4.49 4.21 1cl1A1 SER 158 HB2 0.13 0.25 -0.05 -0.04 3.95 4.24 1cl1A1 SER 158 HB3 0.15 -0.00 -0.05 -0.04 3.93 3.99 1cl1A1 ILE 159 H -0.05 0.13 0.08 -0.55 8.25 7.86 1cl1A1 ILE 159 HA -0.08 0.04 0.34 -0.75 4.18 3.72 1cl1A1 ILE 159 HB -0.01 0.16 -0.03 -0.04 1.89 1.97 1cl1A1 ILE 159 HG12 0.01 0.02 -0.06 -0.04 1.49 1.42 1cl1A1 ILE 159 HG13 0.05 -0.16 -0.30 -0.04 1.21 0.75 1cl1A1 ILE 159 HG23 -0.04 0.01 -0.20 -0.04 0.93 0.66 1cl1A1 ILE 159 HD13 0.03 0.02 -0.11 -0.04 0.88 0.78 1cl1A1 THR 160 H -0.05 0.68 0.18 -0.55 8.28 8.54 1cl1A1 THR 160 HA -0.11 0.16 0.55 -0.75 4.39 4.24 1cl1A1 THR 160 HB -0.03 -0.03 0.03 -0.04 4.32 4.25 1cl1A1 THR 160 HG23 0.02 0.00 -0.06 -0.04 1.22 1.14 1cl1A1 MET 161 H -0.13 0.25 -0.53 -0.55 8.47 7.51 1cl1A1 MET 161 HA -0.27 0.17 0.16 -0.75 4.52 3.83 1cl1A1 MET 161 HB2 -0.16 0.10 -0.16 -0.04 2.15 1.89 1cl1A1 MET 161 HB3 -0.33 -0.06 0.04 -0.04 2.03 1.65 1cl1A1 MET 161 HG2 -0.13 0.06 -0.56 -0.04 2.63 1.95 1cl1A1 MET 161 HG3 -0.10 0.17 -0.02 -0.04 2.56 2.57 1cl1A1 MET 161 HE3 -0.44 -0.00 -0.03 -0.04 2.10 1.59 1cl1A1 GLU 162 H -0.13 0.03 -0.26 -0.55 8.60 7.70 1cl1A1 GLU 162 HA -0.09 0.24 0.42 -0.75 4.29 4.11 1cl1A1 GLU 162 HB2 -0.09 -0.09 0.04 -0.04 2.09 1.92 1cl1A1 GLU 162 HB3 -0.02 0.02 -0.14 -0.04 1.99 1.81 1cl1A1 GLU 162 HG2 0.01 -0.03 -0.03 -0.04 2.34 2.25 1cl1A1 GLU 162 HG3 -0.02 0.07 -0.01 -0.04 2.34 2.34 1cl1A1 VAL 163 H -0.03 0.42 0.20 -0.55 8.24 8.28 1cl1A1 VAL 163 HA -0.20 0.00 0.89 -0.75 4.13 4.07 1cl1A1 VAL 163 HB 0.08 -0.01 0.21 -0.04 2.12 2.36 1cl1A1 VAL 163 HG13 0.09 0.03 -0.09 -0.04 0.97 0.96 1cl1A1 VAL 163 HG23 -0.28 0.04 -0.04 -0.04 0.95 0.63 1cl1A1 HIS 164 H -0.14 0.07 0.13 -0.55 8.41 7.92 1cl1A1 HIS 164 HA -0.03 0.30 0.51 -0.75 4.63 4.66 1cl1A1 HIS 164 HB2 -0.08 -0.05 -0.11 -0.04 3.26 2.98 1cl1A1 HIS 164 HB3 -0.04 -0.02 -0.14 -0.04 3.20 2.95 1cl1A1 HIS 164 HD2 -0.01 -0.04 -0.19 -0.04 6.97 6.69 1cl1A1 HIS 164 HE1 -0.05 -0.07 0.02 -0.04 7.75 7.61 1cl1A1 ASP 165 H -0.18 0.21 0.05 -0.55 8.40 7.93 1cl1A1 ASP 165 HA -0.66 0.20 0.67 -0.75 4.63 4.08 1cl1A1 ASP 165 HB2 -1.70 0.09 0.08 -0.04 2.71 1.14 1cl1A1 ASP 165 HB3 -0.41 -0.08 0.23 -0.04 2.70 2.40 1cl1A1 VAL 166 H -0.09 0.35 -0.19 -0.55 8.24 7.77 1cl1A1 VAL 166 HA -0.03 -0.01 0.31 -0.75 4.13 3.64 1cl1A1 VAL 166 HB -0.05 0.09 0.04 -0.04 2.12 2.17 1cl1A1 VAL 166 HG13 0.11 0.03 -0.19 -0.04 0.97 0.87 1cl1A1 VAL 166 HG23 -0.03 -0.00 -0.10 -0.04 0.95 0.78 1cl1A1 PRO 167 HA 0.12 0.19 0.38 -0.51 4.44 4.62 1cl1A1 PRO 167 HB2 0.08 -0.03 0.01 -0.04 2.28 2.31 1cl1A1 PRO 167 HB3 0.13 0.12 0.05 -0.04 2.02 2.28 1cl1A1 PRO 167 HG2 0.23 0.10 0.02 -0.04 2.03 2.34 1cl1A1 PRO 167 HG3 0.44 0.13 0.04 -0.04 2.03 2.60 1cl1A1 PRO 167 HD2 0.02 -0.00 -0.08 -0.04 3.68 3.58 1cl1A1 PRO 167 HD3 0.04 0.10 0.09 -0.04 3.65 3.84 1cl1A1 ALA 168 H -0.03 0.12 -0.33 -0.55 8.40 7.61 1cl1A1 ALA 168 HA -0.00 0.10 0.35 -0.75 4.34 4.04 1cl1A1 ALA 168 HB3 -0.05 0.00 0.07 -0.04 1.41 1.40 1cl1A1 ILE 169 H -0.07 0.41 -0.17 -0.55 8.25 7.87 1cl1A1 ILE 169 HA -0.09 0.07 0.25 -0.75 4.18 3.65 1cl1A1 ILE 169 HB -0.09 0.06 0.07 -0.04 1.89 1.89 1cl1A1 ILE 169 HG12 -0.15 0.12 -0.04 -0.04 1.49 1.38 1cl1A1 ILE 169 HG13 -0.11 0.03 0.00 -0.04 1.21 1.09 1cl1A1 ILE 169 HG23 -0.16 0.00 -0.21 -0.04 0.93 0.51 1cl1A1 ILE 169 HD13 -0.18 -0.03 -0.10 -0.04 0.88 0.53 1cl1A1 VAL 170 H -0.01 0.66 -0.10 -0.55 8.24 8.24 1cl1A1 VAL 170 HA -0.02 0.00 0.32 -0.75 4.13 3.68 1cl1A1 VAL 170 HB 0.04 0.07 0.10 -0.04 2.12 2.30 1cl1A1 VAL 170 HG13 0.02 0.04 -0.08 -0.04 0.97 0.90 1cl1A1 VAL 170 HG23 0.04 0.01 -0.10 -0.04 0.95 0.85 1cl1A1 ALA 171 H 0.00 0.50 -0.18 -0.55 8.40 8.18 1cl1A1 ALA 171 HA -0.00 0.04 0.32 -0.75 4.34 3.95 1cl1A1 ALA 171 HB3 0.00 0.01 0.08 -0.04 1.41 1.46 1cl1A1 ALA 172 H -0.03 0.41 -0.25 -0.55 8.40 7.99 1cl1A1 ALA 172 HA -0.02 0.02 0.42 -0.75 4.34 4.01 1cl1A1 ALA 172 HB3 -0.04 -0.00 0.12 -0.04 1.41 1.44 1cl1A1 VAL 173 H -0.04 0.55 -0.14 -0.55 8.24 8.05 1cl1A1 VAL 173 HA -0.04 -0.02 0.30 -0.75 4.13 3.62 1cl1A1 VAL 173 HB -0.03 0.10 0.08 -0.04 2.12 2.22 1cl1A1 VAL 173 HG13 -0.03 0.01 -0.22 -0.04 0.97 0.69 1cl1A1 VAL 173 HG23 -0.08 0.03 -0.06 -0.04 0.95 0.80 1cl1A1 ARG 174 H -0.02 0.60 -0.12 -0.55 8.46 8.37 1cl1A1 ARG 174 HA -0.01 0.06 0.20 -0.75 4.34 3.84 1cl1A1 ARG 174 HB2 -0.01 0.05 0.07 -0.04 1.90 1.98 1cl1A1 ARG 174 HB3 -0.01 -0.05 -0.01 -0.04 1.80 1.69 1cl1A1 ARG 174 HG2 -0.01 0.12 0.05 -0.04 1.67 1.80 1cl1A1 ARG 174 HG3 -0.00 -0.07 -0.01 -0.04 1.67 1.55 1cl1A1 ARG 174 HD2 -0.01 -0.03 0.06 -0.04 3.22 3.20 1cl1A1 ARG 174 HD3 -0.01 0.04 -0.01 -0.04 3.22 3.20 1cl1A1 SER 175 H -0.01 0.40 -0.38 -0.55 8.46 7.92 1cl1A1 SER 175 HA -0.01 0.02 0.45 -0.75 4.49 4.20 1cl1A1 SER 175 HB2 -0.01 -0.10 0.08 -0.04 3.95 3.89 1cl1A1 SER 175 HB3 -0.01 0.04 0.11 -0.04 3.93 4.03 1cl1A1 VAL 176 H -0.01 0.32 -0.28 -0.55 8.24 7.72 1cl1A1 VAL 176 HA -0.01 0.13 0.83 -0.75 4.13 4.33 1cl1A1 VAL 176 HB -0.01 -0.00 0.08 -0.04 2.12 2.14 1cl1A1 VAL 176 HG13 -0.01 -0.01 -0.14 -0.04 0.97 0.77 1cl1A1 VAL 176 HG23 -0.02 0.01 -0.03 -0.04 0.95 0.88 1cl1A1 VAL 177 H -0.01 0.63 0.07 -0.55 8.24 8.38 1cl1A1 VAL 177 HA 0.00 0.17 0.84 -0.75 4.13 4.39 1cl1A1 VAL 177 HB 0.01 -0.03 0.11 -0.04 2.12 2.17 1cl1A1 VAL 177 HG13 0.01 0.01 -0.09 -0.04 0.97 0.86 1cl1A1 VAL 177 HG23 -0.00 -0.04 0.04 -0.04 0.95 0.91 1cl1A1 PRO 178 HA -0.01 0.05 0.40 -0.51 4.44 4.37 1cl1A1 PRO 178 HB2 0.00 -0.05 0.00 -0.04 2.28 2.20 1cl1A1 PRO 178 HB3 -0.00 -0.02 0.09 -0.04 2.02 2.05 1cl1A1 PRO 178 HG2 0.00 -0.05 0.02 -0.04 2.03 1.97 1cl1A1 PRO 178 HG3 -0.00 0.36 0.05 -0.04 2.03 2.39 1cl1A1 PRO 178 HD2 0.00 0.01 0.08 -0.04 3.68 3.74 1cl1A1 PRO 178 HD3 -0.00 0.28 -0.46 -0.04 3.65 3.43 1cl1A1 ASP 179 H 0.00 0.09 -0.30 -0.55 8.40 7.65 1cl1A1 ASP 179 HA 0.00 0.07 0.48 -0.75 4.63 4.44 1cl1A1 ASP 179 HB2 0.01 0.06 -0.03 -0.04 2.71 2.71 1cl1A1 ASP 179 HB3 0.02 -0.02 0.08 -0.04 2.70 2.75 1cl1A1 ALA 180 H -0.01 0.35 -0.40 -0.55 8.40 7.79 1cl1A1 ALA 180 HA -0.01 0.14 0.43 -0.75 4.34 4.14 1cl1A1 ALA 180 HB3 -0.01 -0.01 -0.13 -0.04 1.41 1.22 1cl1A1 ILE 181 H -0.06 0.78 0.36 -0.55 8.25 8.79 1cl1A1 ILE 181 HA -0.13 0.11 0.84 -0.75 4.18 4.24 1cl1A1 ILE 181 HB -0.23 -0.04 0.20 -0.04 1.89 1.79 1cl1A1 ILE 181 HG12 -0.13 0.17 0.11 -0.04 1.49 1.60 1cl1A1 ILE 181 HG13 -0.62 -0.04 0.03 -0.04 1.21 0.54 1cl1A1 ILE 181 HG23 -0.56 -0.04 -0.10 -0.04 0.93 0.20 1cl1A1 ILE 181 HD13 -0.19 0.01 -0.08 -0.04 0.88 0.58 1cl1A1 ILE 182 H -0.07 0.21 0.18 -0.55 8.25 8.03 1cl1A1 ILE 182 HA -0.02 0.27 1.08 -0.75 4.18 4.75 1cl1A1 ILE 182 HB -0.02 -0.07 0.20 -0.04 1.89 1.96 1cl1A1 ILE 182 HG12 -0.03 -0.01 -0.11 -0.04 1.49 1.30 1cl1A1 ILE 182 HG13 -0.03 0.09 -0.25 -0.04 1.21 0.98 1cl1A1 ILE 182 HG23 -0.02 -0.01 -0.11 -0.04 0.93 0.75 1cl1A1 ILE 182 HD13 -0.02 0.02 -0.06 -0.04 0.88 0.78 1cl1A1 MET 183 H -0.04 0.72 0.42 -0.55 8.47 9.02 1cl1A1 MET 183 HA -0.06 0.23 1.06 -0.75 4.52 4.99 1cl1A1 MET 183 HB2 -0.10 -0.05 -0.00 -0.04 2.15 1.96 1cl1A1 MET 183 HB3 -0.08 -0.03 0.01 -0.04 2.03 1.89 1cl1A1 MET 183 HG2 -0.01 0.01 -0.20 -0.04 2.63 2.38 1cl1A1 MET 183 HG3 0.01 0.06 -0.32 -0.04 2.56 2.27 1cl1A1 MET 183 HE3 0.13 0.03 -0.20 -0.04 2.10 2.02 1cl1A1 ILE 184 H -0.13 0.54 0.36 -0.55 8.25 8.47 1cl1A1 ILE 184 HA -0.36 0.33 0.95 -0.75 4.18 4.34 1cl1A1 ILE 184 HB -0.01 0.05 -0.23 -0.04 1.89 1.66 1cl1A1 ILE 184 HG12 0.02 -0.00 -0.44 -0.04 1.49 1.03 1cl1A1 ILE 184 HG13 -0.01 -0.06 -0.37 -0.04 1.21 0.74 1cl1A1 ILE 184 HG23 0.07 0.01 -0.02 -0.04 0.93 0.95 1cl1A1 ILE 184 HD13 0.07 0.00 -0.12 -0.04 0.88 0.79 1cl1A1 ASP 185 H -0.21 0.67 0.34 -0.55 8.40 8.65 1cl1A1 ASP 185 HA 0.04 0.11 0.79 -0.75 4.63 4.82 1cl1A1 ASP 185 HB2 0.24 0.07 0.13 -0.04 2.71 3.11 1cl1A1 ASP 185 HB3 0.14 -0.01 0.32 -0.04 2.70 3.11 1cl1A1 ASN 186 H 0.08 0.75 0.21 -0.55 8.53 9.02 1cl1A1 ASN 186 HD21 0.22 0.47 0.12 -0.04 7.03 7.80 1cl1A1 ASN 186 HD22 0.13 0.01 0.09 -0.04 7.74 7.93 1cl1A1 ASN 186 HA 0.18 0.19 0.64 -0.75 4.76 5.02 1cl1A1 ASN 186 HB2 0.12 0.02 0.01 -0.04 2.88 2.99 1cl1A1 ASN 186 HB3 0.12 0.05 0.05 -0.04 2.79 2.98 1cl1A1 THR 187 H 0.17 0.16 -0.38 -0.55 8.28 7.69 1cl1A1 THR 187 HA 0.13 0.06 0.42 -0.75 4.39 4.25 1cl1A1 THR 187 HB 0.24 0.06 0.08 -0.04 4.32 4.67 1cl1A1 THR 187 HG23 -0.23 0.05 -0.02 -0.04 1.22 0.98 1cl1A1 TRP 188 H 0.56 0.18 -0.10 -0.55 7.97 8.06 1cl1A1 TRP 188 HE1 -0.19 0.52 0.13 -0.04 10.20 10.63 1cl1A1 TRP 188 HA 0.70 0.05 0.35 -0.75 4.62 4.96 1cl1A1 TRP 188 HB2 0.24 -0.00 0.06 -0.04 3.23 3.49 1cl1A1 TRP 188 HB3 0.21 0.10 0.07 -0.04 3.23 3.58 1cl1A1 TRP 188 HD1 -0.29 -0.06 0.00 -0.04 7.22 6.83 1cl1A1 TRP 188 HE3 0.34 0.01 -0.26 -0.04 7.59 7.64 1cl1A1 TRP 188 HZ2 -0.34 0.12 0.05 -0.04 7.44 7.23 1cl1A1 TRP 188 HZ3 0.34 0.16 0.01 -0.04 7.13 7.59 1cl1A1 TRP 188 HH2 -0.16 0.08 0.08 -0.04 7.19 7.15 1cl1A1 ALA 189 H 0.52 0.12 -0.37 -0.55 8.40 8.12 1cl1A1 ALA 189 HA 0.23 0.20 0.52 -0.75 4.34 4.53 1cl1A1 ALA 189 HB3 0.44 0.00 -0.01 -0.04 1.41 1.80 1cl1A1 ALA 190 H 0.23 0.42 -0.50 -0.55 8.40 8.01 1cl1A1 ALA 190 HA 0.13 -0.01 0.32 -0.75 4.34 4.03 1cl1A1 ALA 190 HB3 0.05 0.05 0.00 -0.04 1.41 1.47 1cl1A1 GLY 191 H 0.16 0.21 -0.43 -0.55 8.43 7.82 1cl1A1 GLY 191 HA2 0.11 -0.01 0.27 -0.51 4.01 3.87 1cl1A1 GLY 191 HA3 0.07 0.06 0.29 -0.51 4.01 3.92 1cl1A1 VAL 192 H 0.08 0.27 -0.78 -0.55 8.24 7.26 1cl1A1 VAL 192 HA 0.04 0.29 0.89 -0.75 4.13 4.59 1cl1A1 VAL 192 HB 0.03 -0.02 -0.01 -0.04 2.12 2.09 1cl1A1 VAL 192 HG13 0.03 0.05 -0.10 -0.04 0.97 0.90 1cl1A1 VAL 192 HG23 0.04 0.01 -0.06 -0.04 0.95 0.90 1cl1A1 LEU 193 H 0.12 0.50 0.06 -0.55 8.37 8.50 1cl1A1 LEU 193 HA 0.13 0.15 0.46 -0.75 4.35 4.34 1cl1A1 LEU 193 HB2 0.33 -0.08 0.03 -0.04 1.64 1.87 1cl1A1 LEU 193 HB3 0.37 0.00 0.00 -0.04 1.64 1.98 1cl1A1 LEU 193 HG 0.06 0.09 -0.05 -0.04 1.64 1.70 1cl1A1 LEU 193 HD13 -0.04 -0.01 -0.41 -0.04 0.93 0.44 1cl1A1 LEU 193 HD23 0.11 0.01 -0.24 -0.04 0.89 0.73 1cl1A1 PHE 194 H 0.12 0.14 -0.67 -0.55 8.34 7.38 1cl1A1 PHE 194 HA -0.25 0.26 0.55 -0.75 4.62 4.43 1cl1A1 PHE 194 HB2 -1.19 0.07 -0.15 -0.04 3.15 1.85 1cl1A1 PHE 194 HB3 -0.25 -0.13 0.02 -0.04 3.06 2.65 1cl1A1 PHE 194 HD2 -0.52 0.06 -0.14 -0.04 7.28 6.64 1cl1A1 PHE 194 HE2 -0.68 -0.02 -0.10 -0.04 7.38 6.54 1cl1A1 PHE 194 HZ -0.76 -0.05 -0.10 -0.04 7.32 6.37 1cl1A1 LYS 195 H -0.19 0.29 -0.05 -0.55 8.42 7.91 1cl1A1 LYS 195 HA -0.10 0.24 0.67 -0.75 4.32 4.39 1cl1A1 LYS 195 HB2 -0.12 0.01 0.19 -0.04 1.87 1.91 1cl1A1 LYS 195 HB3 -0.10 0.00 0.12 -0.04 1.79 1.77 1cl1A1 LYS 195 HG2 -0.04 -0.01 -0.06 -0.04 1.46 1.31 1cl1A1 LYS 195 HG3 -0.06 0.01 0.03 -0.04 1.46 1.40 1cl1A1 LYS 195 HD2 -0.04 0.01 0.09 -0.04 1.69 1.72 1cl1A1 LYS 195 HD3 -0.01 0.06 0.07 -0.04 1.68 1.75 1cl1A1 LYS 195 HE2 -0.03 0.30 0.04 -0.04 2.99 3.27 1cl1A1 LYS 195 HE3 -0.04 -0.06 0.02 -0.04 2.99 2.87 1cl1A1 ALA 196 H -0.16 0.46 0.02 -0.55 8.40 8.17 1cl1A1 ALA 196 HA -0.35 0.03 0.20 -0.75 4.34 3.46 1cl1A1 ALA 196 HB3 0.09 0.00 -0.00 -0.04 1.41 1.46 1cl1A1 LEU 197 H -0.04 0.17 -0.26 -0.55 8.37 7.70 1cl1A1 LEU 197 HA -0.01 0.19 0.42 -0.75 4.35 4.20 1cl1A1 LEU 197 HB2 -0.04 0.18 0.06 -0.04 1.64 1.80 1cl1A1 LEU 197 HB3 -0.04 0.08 -0.01 -0.04 1.64 1.63 1cl1A1 LEU 197 HG -0.01 0.01 -0.04 -0.04 1.64 1.56 1cl1A1 LEU 197 HD13 0.01 -0.02 -0.24 -0.04 0.93 0.64 1cl1A1 LEU 197 HD23 -0.02 0.06 -0.36 -0.04 0.89 0.53 1cl1A1 ASP 198 H -0.09 0.34 -0.27 -0.55 8.40 7.84 1cl1A1 ASP 198 HA -0.15 0.09 0.51 -0.75 4.63 4.33 1cl1A1 ASP 198 HB2 -0.32 0.15 0.10 -0.04 2.71 2.60 1cl1A1 ASP 198 HB3 -0.37 -0.03 0.11 -0.04 2.70 2.37 1cl1A1 PHE 199 H 0.05 0.35 -0.53 -0.55 8.34 7.66 1cl1A1 PHE 199 HA -0.07 0.21 0.84 -0.75 4.62 4.84 1cl1A1 PHE 199 HB2 -0.11 0.09 0.03 -0.04 3.15 3.12 1cl1A1 PHE 199 HB3 0.00 -0.10 0.04 -0.04 3.06 2.96 1cl1A1 PHE 199 HD2 -0.29 0.06 -0.14 -0.04 7.28 6.86 1cl1A1 PHE 199 HE2 -0.29 -0.06 -0.07 -0.04 7.38 6.93 1cl1A1 PHE 199 HZ -0.05 0.17 0.05 -0.04 7.32 7.45 1cl1A1 GLY 200 H 0.00 0.37 -0.25 -0.55 8.43 8.00 1cl1A1 GLY 200 HA2 0.00 0.04 0.27 -0.51 4.01 3.81 1cl1A1 GLY 200 HA3 0.02 0.12 0.63 -0.51 4.01 4.27 1cl1A1 ILE 201 H 0.06 0.19 -0.13 -0.55 8.25 7.81 1cl1A1 ILE 201 HA 0.02 0.07 0.53 -0.75 4.18 4.04 1cl1A1 ILE 201 HB 0.05 0.04 -0.23 -0.04 1.89 1.71 1cl1A1 ILE 201 HG12 0.05 0.00 -0.18 -0.04 1.49 1.32 1cl1A1 ILE 201 HG13 0.10 0.06 -0.22 -0.04 1.21 1.10 1cl1A1 ILE 201 HG23 0.01 -0.04 -0.30 -0.04 0.93 0.56 1cl1A1 ILE 201 HD13 0.14 -0.04 -0.13 -0.04 0.88 0.81 1cl1A1 ASP 202 H -0.02 0.39 0.30 -0.55 8.40 8.53 1cl1A1 ASP 202 HA 0.00 0.08 0.67 -0.75 4.63 4.63 1cl1A1 ASP 202 HB2 -0.08 0.10 0.20 -0.04 2.71 2.89 1cl1A1 ASP 202 HB3 -0.05 -0.10 0.05 -0.04 2.70 2.56 1cl1A1 VAL 203 H -0.01 0.38 0.19 -0.55 8.24 8.25 1cl1A1 VAL 203 HA 0.06 0.32 1.01 -0.75 4.13 4.76 1cl1A1 VAL 203 HB 0.03 -0.07 0.05 -0.04 2.12 2.09 1cl1A1 VAL 203 HG13 0.13 -0.01 -0.27 -0.04 0.97 0.78 1cl1A1 VAL 203 HG23 0.06 0.01 -0.25 -0.04 0.95 0.73 1cl1A1 SER 204 H 0.05 0.80 0.26 -0.55 8.46 9.03 1cl1A1 SER 204 HA 0.03 0.11 0.97 -0.75 4.49 4.85 1cl1A1 SER 204 HB2 0.04 -0.02 0.01 -0.04 3.95 3.93 1cl1A1 SER 204 HB3 0.04 0.05 0.20 -0.04 3.93 4.18 1cl1A1 ILE 205 H 0.02 0.66 0.40 -0.55 8.25 8.79 1cl1A1 ILE 205 HA 0.07 0.33 1.00 -0.75 4.18 4.82 1cl1A1 ILE 205 HB 0.05 -0.03 0.14 -0.04 1.89 2.00 1cl1A1 ILE 205 HG12 0.06 0.07 -0.12 -0.04 1.49 1.45 1cl1A1 ILE 205 HG13 0.06 -0.04 -0.25 -0.04 1.21 0.94 1cl1A1 ILE 205 HG23 0.02 -0.02 -0.15 -0.04 0.93 0.74 1cl1A1 ILE 205 HD13 0.16 -0.01 -0.16 -0.04 0.88 0.83 1cl1A1 GLN 206 H 0.05 0.71 0.37 -0.55 8.47 9.05 1cl1A1 GLN 206 HE21 0.06 0.23 -0.33 -0.04 6.97 6.89 1cl1A1 GLN 206 HE22 0.06 0.01 -0.25 -0.04 7.69 7.47 1cl1A1 GLN 206 HA 0.04 0.04 0.75 -0.75 4.36 4.45 1cl1A1 GLN 206 HB2 0.05 0.05 -0.07 -0.04 2.15 2.15 1cl1A1 GLN 206 HB3 0.03 -0.02 -0.31 -0.04 2.02 1.68 1cl1A1 GLN 206 HG2 0.09 -0.03 -0.37 -0.04 2.40 2.04 1cl1A1 GLN 206 HG3 0.07 0.07 -0.44 -0.04 2.39 2.05 1cl1A1 ALA 207 H -0.05 0.20 0.05 -0.55 8.40 8.06 1cl1A1 ALA 207 HA -0.07 0.05 0.89 -0.75 4.34 4.46 1cl1A1 ALA 207 HB3 -0.22 0.02 0.22 -0.04 1.41 1.39 1cl1A1 ALA 208 H -0.02 0.36 -0.03 -0.55 8.40 8.17 1cl1A1 ALA 208 HA -0.03 0.05 0.45 -0.75 4.34 4.06 1cl1A1 ALA 208 HB3 0.01 0.04 -0.13 -0.04 1.41 1.28 1cl1A1 THR 209 H -0.09 0.16 -0.31 -0.55 8.28 7.50 1cl1A1 THR 209 HA -0.09 0.19 0.22 -0.75 4.39 3.96 1cl1A1 THR 209 HB -0.21 -0.01 0.09 -0.04 4.32 4.15 1cl1A1 THR 209 HG23 -0.15 0.08 0.14 -0.04 1.22 1.24 1cl1A1 TYR 211 H -0.20 0.10 0.13 -0.55 8.29 7.77 1cl1A1 TYR 211 HA -0.07 0.20 0.45 -0.75 4.56 4.39 1cl1A1 TYR 211 HB2 -0.03 -0.05 0.10 -0.04 3.06 3.04 1cl1A1 TYR 211 HB3 0.00 0.05 -0.00 -0.04 2.98 2.99 1cl1A1 TYR 211 HD2 0.03 0.09 0.08 -0.04 7.15 7.32 1cl1A1 TYR 211 HE2 -0.29 0.05 0.05 -0.04 6.85 6.61 1cl1A1 LEU 212 H 0.03 0.06 0.12 -0.55 8.37 8.03 1cl1A1 LEU 212 HA 0.07 0.15 0.37 -0.75 4.35 4.18 1cl1A1 LEU 212 HB2 0.01 -0.06 0.15 -0.04 1.64 1.70 1cl1A1 LEU 212 HB3 0.03 0.09 -0.02 -0.04 1.64 1.70 1cl1A1 LEU 212 HG 0.04 -0.12 0.05 -0.04 1.64 1.57 1cl1A1 LEU 212 HD13 0.03 -0.01 -0.08 -0.04 0.93 0.83 1cl1A1 LEU 212 HD23 0.05 0.06 -0.03 -0.04 0.89 0.93 1cl1A1 VAL 213 H -0.01 0.40 -0.12 -0.55 8.24 7.96 1cl1A1 VAL 213 HA 0.05 0.14 0.42 -0.75 4.13 3.99 1cl1A1 VAL 213 HB -0.03 0.09 0.07 -0.04 2.12 2.21 1cl1A1 VAL 213 HG13 0.05 -0.09 -0.17 -0.04 0.97 0.72 1cl1A1 VAL 213 HG23 -0.01 0.01 -0.26 -0.04 0.95 0.66 1cl1A1 GLY 214 H -0.02 0.03 -0.38 -0.55 8.43 7.51 1cl1A1 GLY 214 HA2 -0.04 0.36 0.41 -0.51 4.01 4.23 1cl1A1 GLY 214 HA3 0.03 0.19 0.23 -0.51 4.01 3.95 1cl1A1 HIS 215 H 0.12 -0.01 -0.46 -0.55 8.41 7.52 1cl1A1 HIS 215 HA 0.13 0.13 0.94 -0.75 4.63 5.08 1cl1A1 HIS 215 HB2 0.09 -0.03 -0.07 -0.04 3.26 3.21 1cl1A1 HIS 215 HB3 0.24 -0.01 0.13 -0.04 3.20 3.51 1cl1A1 HIS 215 HD2 0.10 -0.06 0.01 -0.04 6.97 6.97 1cl1A1 HIS 215 HE1 0.06 0.04 -0.05 -0.04 7.75 7.76 1cl1A1 SER 216 H -0.05 0.10 -0.04 -0.55 8.46 7.92 1cl1A1 SER 216 HA -0.09 0.07 0.28 -0.75 4.49 3.99 1cl1A1 SER 216 HB2 -0.11 0.19 -0.08 -0.04 3.95 3.90 1cl1A1 SER 216 HB3 -0.10 0.02 0.11 -0.04 3.93 3.92 1cl1A1 ASP 217 H 0.03 -0.01 -0.30 -0.55 8.40 7.57 1cl1A1 ASP 217 HA 0.01 0.25 0.95 -0.75 4.63 5.09 1cl1A1 ASP 217 HB2 0.03 -0.02 0.13 -0.04 2.71 2.81 1cl1A1 ASP 217 HB3 0.05 0.12 -0.14 -0.04 2.70 2.70 1cl1A1 ALA 218 H -0.01 0.20 -0.02 -0.55 8.40 8.02 1cl1A1 ALA 218 HA -0.00 0.13 0.48 -0.75 4.34 4.19 1cl1A1 ALA 218 HB3 0.01 0.04 -0.08 -0.04 1.41 1.33 1cl1A1 MET 219 H -0.00 0.26 0.16 -0.55 8.47 8.34 1cl1A1 MET 219 HA -0.03 0.03 0.92 -0.75 4.52 4.68 1cl1A1 MET 219 HB2 -0.00 0.09 0.15 -0.04 2.15 2.35 1cl1A1 MET 219 HB3 -0.01 -0.11 0.15 -0.04 2.03 2.02 1cl1A1 MET 219 HG2 -0.04 0.08 -0.12 -0.04 2.63 2.51 1cl1A1 MET 219 HG3 -0.01 -0.01 -0.32 -0.04 2.56 2.18 1cl1A1 MET 219 HE3 -0.02 -0.04 0.03 -0.04 2.10 2.03 1cl1A1 ILE 220 H -0.02 0.03 0.13 -0.55 8.25 7.84 1cl1A1 ILE 220 HA 0.05 0.28 0.14 -0.75 4.18 3.89 1cl1A1 ILE 220 HB 0.03 0.17 -0.05 -0.04 1.89 2.00 1cl1A1 ILE 220 HG12 0.06 -0.12 -0.45 -0.04 1.49 0.94 1cl1A1 ILE 220 HG13 0.08 0.19 0.05 -0.04 1.21 1.48 1cl1A1 ILE 220 HG23 0.00 -0.06 -0.45 -0.04 0.93 0.39 1cl1A1 ILE 220 HD13 0.03 0.00 -0.19 -0.04 0.88 0.69 1cl1A1 GLY 221 H 0.13 0.72 0.03 -0.55 8.43 8.76 1cl1A1 GLY 221 HA2 0.04 0.08 0.98 -0.51 4.01 4.60 1cl1A1 GLY 221 HA3 0.09 0.09 0.01 -0.51 4.01 3.69 1cl1A1 THR 222 H 0.09 0.50 0.36 -0.55 8.28 8.68 1cl1A1 THR 222 HA 0.25 0.37 0.98 -0.75 4.39 5.24 1cl1A1 THR 222 HB 0.10 0.09 -0.05 -0.04 4.32 4.42 1cl1A1 THR 222 HG23 0.07 -0.01 -0.27 -0.04 1.22 0.97 1cl1A1 ALA 223 H 0.25 0.59 0.19 -0.55 8.40 8.88 1cl1A1 ALA 223 HA 0.14 0.22 0.81 -0.75 4.34 4.75 1cl1A1 ALA 223 HB3 0.30 0.00 -0.04 -0.04 1.41 1.63 1cl1A1 VAL 224 H 0.08 0.64 0.25 -0.55 8.24 8.66 1cl1A1 VAL 224 HA 0.02 0.26 1.09 -0.75 4.13 4.74 1cl1A1 VAL 224 HB 0.02 -0.03 0.14 -0.04 2.12 2.21 1cl1A1 VAL 224 HG13 -0.05 0.03 -0.14 -0.04 0.97 0.78 1cl1A1 VAL 224 HG23 0.02 -0.00 -0.15 -0.04 0.95 0.78 1cl1A1 CYS 225 H -0.03 0.61 0.33 -0.55 8.50 8.87 1cl1A1 CYS 225 HA 0.07 0.30 1.14 -0.75 4.58 5.35 1cl1A1 CYS 225 HB2 0.20 -0.05 -0.01 -0.04 2.97 3.06 1cl1A1 CYS 225 HB3 0.21 -0.02 -0.01 -0.04 2.97 3.11 1cl1A1 ASN 226 H 0.06 0.49 0.35 -0.55 8.53 8.88 1cl1A1 ASN 226 HD21 0.01 0.03 0.05 -0.04 7.03 7.09 1cl1A1 ASN 226 HD22 0.01 0.14 0.04 -0.04 7.74 7.89 1cl1A1 ASN 226 HA -0.00 0.13 0.69 -0.75 4.76 4.83 1cl1A1 ASN 226 HB2 0.02 -0.04 0.25 -0.04 2.88 3.07 1cl1A1 ASN 226 HB3 0.01 0.21 0.21 -0.04 2.79 3.18 1cl1A1 ALA 227 H 0.04 0.24 0.21 -0.55 8.40 8.35 1cl1A1 ALA 227 HA 0.16 0.09 0.42 -0.75 4.34 4.26 1cl1A1 ALA 227 HB3 0.06 0.04 0.13 -0.04 1.41 1.60 1cl1A1 ARG 228 H 0.07 0.06 -0.14 -0.55 8.46 7.90 1cl1A1 ARG 228 HA 0.08 0.12 0.39 -0.75 4.34 4.17 1cl1A1 ARG 228 HB2 0.04 0.02 0.11 -0.04 1.90 2.02 1cl1A1 ARG 228 HB3 0.05 -0.05 0.09 -0.04 1.80 1.84 1cl1A1 ARG 228 HG2 0.06 0.02 -0.24 -0.04 1.67 1.47 1cl1A1 ARG 228 HG3 0.04 0.01 0.04 -0.04 1.67 1.72 1cl1A1 ARG 228 HD2 0.01 -0.01 0.02 -0.04 3.22 3.21 1cl1A1 ARG 228 HD3 0.00 -0.04 -0.00 -0.04 3.22 3.14 1cl1A1 CYS 229 H 0.14 0.09 -0.26 -0.55 8.50 7.92 1cl1A1 CYS 229 HA 0.26 0.27 0.84 -0.75 4.58 5.20 1cl1A1 CYS 229 HB2 0.15 -0.00 -0.01 -0.04 2.97 3.07 1cl1A1 CYS 229 HB3 0.32 0.00 0.02 -0.04 2.97 3.26 1cl1A1 TRP 230 H 0.33 0.37 -0.14 -0.55 7.97 7.98 1cl1A1 TRP 230 HE1 0.02 0.04 -0.14 -0.04 10.20 10.08 1cl1A1 TRP 230 HA 0.11 -0.00 0.27 -0.75 4.62 4.24 1cl1A1 TRP 230 HB2 0.05 0.10 -0.04 -0.04 3.23 3.30 1cl1A1 TRP 230 HB3 0.04 0.04 0.05 -0.04 3.23 3.31 1cl1A1 TRP 230 HD1 0.07 -0.04 -0.08 -0.04 7.22 7.12 1cl1A1 TRP 230 HE3 0.01 -0.02 -0.08 -0.04 7.59 7.46 1cl1A1 TRP 230 HZ2 -0.02 0.02 0.05 -0.04 7.44 7.45 1cl1A1 TRP 230 HZ3 -0.02 -0.01 -0.00 -0.04 7.13 7.06 1cl1A1 TRP 230 HH2 -0.04 0.04 0.07 -0.04 7.19 7.22 1cl1A1 GLU 231 H 0.06 0.23 -0.13 -0.55 8.60 8.21 1cl1A1 GLU 231 HA -0.57 0.05 0.35 -0.75 4.29 3.36 1cl1A1 GLU 231 HB2 -0.20 0.03 0.08 -0.04 2.09 1.96 1cl1A1 GLU 231 HB3 -0.07 0.05 0.05 -0.04 1.99 1.97 1cl1A1 GLU 231 HG2 -0.15 0.02 -0.25 -0.04 2.34 1.93 1cl1A1 GLU 231 HG3 -0.28 -0.03 0.04 -0.04 2.34 2.03 1cl1A1 GLN 232 H 0.01 0.18 -0.22 -0.55 8.47 7.89 1cl1A1 GLN 232 HE21 0.08 -0.00 0.06 -0.04 6.97 7.07 1cl1A1 GLN 232 HE22 -0.18 0.37 0.17 -0.04 7.69 8.01 1cl1A1 GLN 232 HA -0.12 0.06 0.50 -0.75 4.36 4.04 1cl1A1 GLN 232 HB2 0.01 -0.01 0.10 -0.04 2.15 2.20 1cl1A1 GLN 232 HB3 -0.03 0.05 0.07 -0.04 2.02 2.07 1cl1A1 GLN 232 HG2 -0.52 0.09 -0.14 -0.04 2.40 1.79 1cl1A1 GLN 232 HG3 -0.15 -0.06 0.08 -0.04 2.39 2.22 1cl1A1 LEU 233 H 0.05 0.45 -0.13 -0.55 8.37 8.19 1cl1A1 LEU 233 HA -0.16 0.08 0.42 -0.75 4.35 3.93 1cl1A1 LEU 233 HB2 0.38 0.04 0.03 -0.04 1.64 2.05 1cl1A1 LEU 233 HB3 0.28 0.06 0.08 -0.04 1.64 2.03 1cl1A1 LEU 233 HG 0.29 -0.02 -0.24 -0.04 1.64 1.63 1cl1A1 LEU 233 HD13 0.26 -0.00 -0.02 -0.04 0.93 1.13 1cl1A1 LEU 233 HD23 0.36 -0.02 -0.13 -0.04 0.89 1.07 1cl1A1 ARG 234 H -0.05 0.66 -0.06 -0.55 8.46 8.46 1cl1A1 ARG 234 HA 0.03 -0.02 0.35 -0.75 4.34 3.94 1cl1A1 ARG 234 HB2 -0.36 -0.01 0.06 -0.04 1.90 1.55 1cl1A1 ARG 234 HB3 -0.46 0.06 0.13 -0.04 1.80 1.50 1cl1A1 ARG 234 HG2 -0.18 -0.00 -0.17 -0.04 1.67 1.28 1cl1A1 ARG 234 HG3 -0.01 -0.03 0.04 -0.04 1.67 1.63 1cl1A1 ARG 234 HD2 -0.23 0.03 0.05 -0.04 3.22 3.03 1cl1A1 ARG 234 HD3 -0.81 -0.03 -0.01 -0.04 3.22 2.32 1cl1A1 GLU 235 H -0.15 0.56 -0.11 -0.55 8.60 8.36 1cl1A1 GLU 235 HA -0.03 0.04 0.45 -0.75 4.29 3.99 1cl1A1 GLU 235 HB2 -0.10 0.11 0.15 -0.04 2.09 2.21 1cl1A1 GLU 235 HB3 -0.06 -0.04 0.05 -0.04 1.99 1.90 1cl1A1 GLU 235 HG2 -0.23 0.11 0.11 -0.04 2.34 2.28 1cl1A1 GLU 235 HG3 -0.15 -0.03 0.03 -0.04 2.34 2.14 1cl1A1 ASN 236 H -0.07 0.55 -0.11 -0.55 8.53 8.35 1cl1A1 ASN 236 HD21 -0.12 -0.10 0.08 -0.04 7.03 6.85 1cl1A1 ASN 236 HD22 -0.22 0.34 0.21 -0.04 7.74 8.02 1cl1A1 ASN 236 HA -0.01 0.03 0.53 -0.75 4.76 4.56 1cl1A1 ASN 236 HB2 -0.12 0.13 0.21 -0.04 2.88 3.06 1cl1A1 ASN 236 HB3 -0.05 -0.04 0.05 -0.04 2.79 2.71 1cl1A1 ALA 237 H 0.03 0.64 -0.07 -0.55 8.40 8.45 1cl1A1 ALA 237 HA 0.10 0.00 0.39 -0.75 4.34 4.08 1cl1A1 ALA 237 HB3 0.08 0.01 0.04 -0.04 1.41 1.50 1cl1A1 TYR 238 H 0.11 0.41 -0.36 -0.55 8.29 7.91 1cl1A1 TYR 238 HA -0.02 0.07 0.48 -0.75 4.56 4.33 1cl1A1 TYR 238 HB2 -0.04 0.15 0.16 -0.04 3.06 3.29 1cl1A1 TYR 238 HB3 -0.03 0.13 0.14 -0.04 2.98 3.17 1cl1A1 TYR 238 HD2 -0.00 0.08 -0.06 -0.04 7.15 7.13 1cl1A1 TYR 238 HE2 0.08 -0.03 -0.30 -0.04 6.85 6.56 1cl1A1 LEU 239 H 0.07 0.46 -0.18 -0.55 8.37 8.17 1cl1A1 LEU 239 HA -0.04 0.02 0.51 -0.75 4.35 4.08 1cl1A1 LEU 239 HB2 0.01 0.15 0.17 -0.04 1.64 1.93 1cl1A1 LEU 239 HB3 0.00 -0.05 0.06 -0.04 1.64 1.61 1cl1A1 LEU 239 HG 0.07 0.09 0.07 -0.04 1.64 1.84 1cl1A1 LEU 239 HD13 0.01 -0.02 -0.00 -0.04 0.93 0.88 1cl1A1 LEU 239 HD23 0.03 -0.02 0.04 -0.04 0.89 0.89 1cl1A1 MET 240 H -0.01 0.32 -0.51 -0.55 8.47 7.73 1cl1A1 MET 240 HA -0.01 0.10 0.66 -0.75 4.52 4.51 1cl1A1 MET 240 HB2 0.04 0.09 0.09 -0.04 2.15 2.33 1cl1A1 MET 240 HB3 0.03 -0.11 0.12 -0.04 2.03 2.03 1cl1A1 MET 240 HG2 0.03 0.23 -0.02 -0.04 2.63 2.82 1cl1A1 MET 240 HG3 0.05 -0.08 -0.04 -0.04 2.56 2.45 1cl1A1 MET 240 HE3 0.04 -0.03 -0.01 -0.04 2.10 2.06 1cl1A1 GLY 241 H -0.15 0.37 -0.60 -0.55 8.43 7.51 1cl1A1 GLY 241 HA2 -0.24 0.07 0.28 -0.51 4.01 3.62 1cl1A1 GLY 241 HA3 -0.09 -0.04 0.32 -0.51 4.01 3.69 1cl1A1 GLN 242 H -0.06 0.46 -0.05 -0.55 8.47 8.28 1cl1A1 GLN 242 HE21 0.11 -0.06 0.01 -0.04 6.97 6.99 1cl1A1 GLN 242 HE22 0.33 -0.11 -0.01 -0.04 7.69 7.86 1cl1A1 GLN 242 HA -0.00 0.00 0.63 -0.75 4.36 4.23 1cl1A1 GLN 242 HB2 -0.10 0.04 0.03 -0.04 2.15 2.08 1cl1A1 GLN 242 HB3 -0.07 -0.09 0.02 -0.04 2.02 1.84 1cl1A1 GLN 242 HG2 0.09 0.12 -0.07 -0.04 2.40 2.50 1cl1A1 GLN 242 HG3 0.33 -0.09 -0.04 -0.04 2.39 2.55 1cl1A1 MET 243 H -0.02 0.23 0.30 -0.55 8.47 8.44 1cl1A1 MET 243 HA -0.08 0.14 0.43 -0.75 4.52 4.26 1cl1A1 MET 243 HB2 -0.08 -0.03 0.07 -0.04 2.15 2.08 1cl1A1 MET 243 HB3 -0.04 0.30 -0.16 -0.04 2.03 2.08 1cl1A1 MET 243 HG2 -0.04 0.14 -0.17 -0.04 2.63 2.52 1cl1A1 MET 243 HG3 -0.02 -0.14 -0.43 -0.04 2.56 1.94 1cl1A1 MET 243 HE3 -0.06 -0.03 -0.17 -0.04 2.10 1.80 1cl1A1 VAL 244 H 0.04 0.29 0.10 -0.55 8.24 8.12 1cl1A1 VAL 244 HA 0.05 0.14 0.75 -0.75 4.13 4.31 1cl1A1 VAL 244 HB 0.07 0.05 -0.31 -0.04 2.12 1.88 1cl1A1 VAL 244 HG13 0.11 0.03 -0.13 -0.04 0.97 0.93 1cl1A1 VAL 244 HG23 0.05 -0.03 0.10 -0.04 0.95 1.03 1cl1A1 ASP 245 H 0.05 0.14 0.13 -0.55 8.40 8.17 1cl1A1 ASP 245 HA 0.10 0.20 0.59 -0.75 4.63 4.77 1cl1A1 ASP 245 HB2 0.01 -0.05 0.15 -0.04 2.71 2.78 1cl1A1 ASP 245 HB3 0.02 0.14 0.14 -0.04 2.70 2.95 1cl1A1 ALA 246 H 0.02 0.20 0.19 -0.55 8.40 8.26 1cl1A1 ALA 246 HA -0.52 0.11 0.37 -0.75 4.34 3.54 1cl1A1 ALA 246 HB3 -0.08 0.02 0.07 -0.04 1.41 1.37 1cl1A1 ASP 247 H -0.05 0.10 -0.10 -0.55 8.40 7.80 1cl1A1 ASP 247 HA -0.03 0.13 0.40 -0.75 4.63 4.38 1cl1A1 ASP 247 HB2 -0.03 -0.03 0.07 -0.04 2.71 2.68 1cl1A1 ASP 247 HB3 -0.02 0.10 -0.02 -0.04 2.70 2.72 1cl1A1 THR 248 H -0.01 0.09 -0.31 -0.55 8.28 7.50 1cl1A1 THR 248 HA 0.02 0.10 0.40 -0.75 4.39 4.15 1cl1A1 THR 248 HB 0.01 0.08 0.06 -0.04 4.32 4.43 1cl1A1 THR 248 HG23 0.01 0.06 -0.10 -0.04 1.22 1.15 1cl1A1 ALA 249 H -0.07 0.37 -0.28 -0.55 8.40 7.87 1cl1A1 ALA 249 HA -0.04 0.02 0.31 -0.75 4.34 3.87 1cl1A1 ALA 249 HB3 -0.22 0.05 -0.03 -0.04 1.41 1.17 1cl1A1 TYR 250 H 0.03 0.43 -0.26 -0.55 8.29 7.95 1cl1A1 TYR 250 HA -0.07 0.07 0.39 -0.75 4.56 4.20 1cl1A1 TYR 250 HB2 -0.09 -0.02 0.05 -0.04 3.06 2.96 1cl1A1 TYR 250 HB3 -0.07 0.12 0.15 -0.04 2.98 3.14 1cl1A1 TYR 250 HD2 -0.04 0.03 -0.20 -0.04 7.15 6.90 1cl1A1 TYR 250 HE2 -0.02 0.14 -0.09 -0.04 6.85 6.84 1cl1A1 ILE 251 H 0.11 0.52 -0.14 -0.55 8.25 8.19 1cl1A1 ILE 251 HA -0.01 0.05 0.42 -0.75 4.18 3.88 1cl1A1 ILE 251 HB 0.04 0.03 0.15 -0.04 1.89 2.06 1cl1A1 ILE 251 HG12 0.14 0.03 0.02 -0.04 1.49 1.64 1cl1A1 ILE 251 HG13 0.04 -0.03 -0.03 -0.04 1.21 1.15 1cl1A1 ILE 251 HG23 0.01 -0.00 -0.18 -0.04 0.93 0.71 1cl1A1 ILE 251 HD13 0.04 0.00 -0.01 -0.04 0.88 0.87 1cl1A1 THR 252 H -0.02 0.47 -0.35 -0.55 8.28 7.83 1cl1A1 THR 252 HA -0.01 0.05 0.30 -0.75 4.39 3.98 1cl1A1 THR 252 HB -0.02 0.10 0.05 -0.04 4.32 4.41 1cl1A1 THR 252 HG23 0.00 -0.03 -0.19 -0.04 1.22 0.97 1cl1A1 SER 253 H -0.09 0.53 -0.07 -0.55 8.46 8.28 1cl1A1 SER 253 HA -0.06 0.03 0.37 -0.75 4.49 4.08 1cl1A1 SER 253 HB2 -0.20 0.09 0.17 -0.04 3.95 3.97 1cl1A1 SER 253 HB3 -0.12 0.04 -0.00 -0.04 3.93 3.80 1cl1A1 ARG 254 H -0.22 0.46 -0.30 -0.55 8.46 7.85 1cl1A1 ARG 254 HA -0.15 0.02 0.35 -0.75 4.34 3.81 1cl1A1 ARG 254 HB2 -0.42 0.11 0.11 -0.04 1.90 1.65 1cl1A1 ARG 254 HB3 -0.13 0.12 0.08 -0.04 1.80 1.84 1cl1A1 ARG 254 HG2 -0.08 -0.01 -0.03 -0.04 1.67 1.51 1cl1A1 ARG 254 HG3 -0.16 -0.03 0.02 -0.04 1.67 1.46 1cl1A1 ARG 254 HD2 -0.04 -0.03 -0.05 -0.04 3.22 3.07 1cl1A1 ARG 254 HD3 -0.04 0.01 -0.03 -0.04 3.22 3.12 1cl1A1 GLY 255 H -0.04 0.37 -0.26 -0.55 8.43 7.96 1cl1A1 GLY 255 HA2 0.09 -0.06 0.42 -0.51 4.01 3.96 1cl1A1 GLY 255 HA3 0.06 0.33 0.45 -0.51 4.01 4.34 1cl1A1 LEU 256 H -0.01 0.40 -0.31 -0.55 8.37 7.91 1cl1A1 LEU 256 HA 0.03 -0.05 0.39 -0.75 4.35 3.97 1cl1A1 LEU 256 HB2 -0.01 0.29 0.17 -0.04 1.64 2.04 1cl1A1 LEU 256 HB3 0.01 -0.06 0.08 -0.04 1.64 1.63 1cl1A1 LEU 256 HG -0.01 0.19 0.08 -0.04 1.64 1.87 1cl1A1 LEU 256 HD13 -0.01 -0.02 -0.02 -0.04 0.93 0.84 1cl1A1 LEU 256 HD23 0.02 -0.05 -0.01 -0.04 0.89 0.81 1cl1A1 ARG 257 H -0.00 0.37 -0.36 -0.55 8.46 7.91 1cl1A1 ARG 257 HA 0.01 0.10 0.21 -0.75 4.34 3.90 1cl1A1 ARG 257 HB2 0.00 0.03 0.04 -0.04 1.90 1.93 1cl1A1 ARG 257 HB3 -0.00 -0.08 0.08 -0.04 1.80 1.76 1cl1A1 ARG 257 HG2 -0.04 0.16 0.16 -0.04 1.67 1.91 1cl1A1 ARG 257 HG3 -0.04 -0.11 0.06 -0.04 1.67 1.54 1cl1A1 ARG 257 HD2 -0.01 0.03 0.10 -0.04 3.22 3.30 1cl1A1 ARG 257 HD3 -0.01 0.09 -0.00 -0.04 3.22 3.26 1cl1A1 THR 258 H 0.05 0.44 -0.27 -0.55 8.28 7.95 1cl1A1 THR 258 HA 0.03 0.15 0.97 -0.75 4.39 4.78 1cl1A1 THR 258 HB 0.05 -0.11 0.15 -0.04 4.32 4.37 1cl1A1 THR 258 HG23 0.05 0.01 -0.06 -0.04 1.22 1.17 1cl1A1 LEU 259 H 0.04 0.49 -0.25 -0.55 8.37 8.11 1cl1A1 LEU 259 HA 0.08 0.06 0.35 -0.75 4.35 4.08 1cl1A1 LEU 259 HB2 0.05 0.14 0.17 -0.04 1.64 1.96 1cl1A1 LEU 259 HB3 0.03 0.06 0.14 -0.04 1.64 1.84 1cl1A1 LEU 259 HG 0.03 -0.08 -0.14 -0.04 1.64 1.41 1cl1A1 LEU 259 HD13 0.07 -0.01 -0.04 -0.04 0.93 0.91 1cl1A1 LEU 259 HD23 0.04 0.00 -0.00 -0.04 0.89 0.89 1cl1A1 GLY 260 H 0.03 0.24 -0.27 -0.55 8.43 7.88 1cl1A1 GLY 260 HA2 0.03 0.07 0.36 -0.51 4.01 3.96 1cl1A1 GLY 260 HA3 0.02 0.05 0.26 -0.51 4.01 3.83 1cl1A1 VAL 261 H 0.02 0.18 -0.12 -0.55 8.24 7.76 1cl1A1 VAL 261 HA 0.00 0.05 0.44 -0.75 4.13 3.87 1cl1A1 VAL 261 HB -0.00 -0.01 0.08 -0.04 2.12 2.14 1cl1A1 VAL 261 HG13 0.01 -0.00 0.05 -0.04 0.97 0.99 1cl1A1 VAL 261 HG23 0.01 0.02 0.04 -0.04 0.95 0.99 1cl1A1 ARG 262 H 0.03 0.50 -0.26 -0.55 8.46 8.18 1cl1A1 ARG 262 HA -0.07 0.04 0.52 -0.75 4.34 4.08 1cl1A1 ARG 262 HB2 0.11 0.11 0.14 -0.04 1.90 2.22 1cl1A1 ARG 262 HB3 0.20 -0.03 -0.01 -0.04 1.80 1.92 1cl1A1 ARG 262 HG2 0.02 -0.08 0.01 -0.04 1.67 1.57 1cl1A1 ARG 262 HG3 0.05 0.14 0.04 -0.04 1.67 1.85 1cl1A1 ARG 262 HD2 0.13 -0.00 -0.03 -0.04 3.22 3.28 1cl1A1 ARG 262 HD3 0.01 -0.05 -0.03 -0.04 3.22 3.12 1cl1A1 LEU 263 H 0.06 0.68 0.06 -0.55 8.37 8.62 1cl1A1 LEU 263 HA 0.10 -0.05 0.43 -0.75 4.35 4.08 1cl1A1 LEU 263 HB2 0.02 0.11 0.16 -0.04 1.64 1.88 1cl1A1 LEU 263 HB3 -0.02 0.00 0.02 -0.04 1.64 1.61 1cl1A1 LEU 263 HG -0.04 0.16 0.12 -0.04 1.64 1.84 1cl1A1 LEU 263 HD13 -0.05 -0.02 -0.08 -0.04 0.93 0.74 1cl1A1 LEU 263 HD23 -0.50 -0.03 0.04 -0.04 0.89 0.36 1cl1A1 ARG 264 H 0.03 0.45 -0.30 -0.55 8.46 8.08 1cl1A1 ARG 264 HA 0.06 0.04 0.49 -0.75 4.34 4.17 1cl1A1 ARG 264 HB2 0.00 0.11 0.15 -0.04 1.90 2.13 1cl1A1 ARG 264 HB3 -0.01 -0.05 0.03 -0.04 1.80 1.74 1cl1A1 ARG 264 HG2 0.03 -0.03 0.07 -0.04 1.67 1.70 1cl1A1 ARG 264 HG3 0.03 0.18 0.10 -0.04 1.67 1.93 1cl1A1 ARG 264 HD2 -0.00 -0.03 0.02 -0.04 3.22 3.17 1cl1A1 ARG 264 HD3 0.01 -0.02 0.01 -0.04 3.22 3.18 1cl1A1 GLN 265 H -0.04 0.43 -0.15 -0.55 8.47 8.17 1cl1A1 GLN 265 HE21 -0.02 -0.05 0.04 -0.04 6.97 6.90 1cl1A1 GLN 265 HE22 -0.02 -0.00 0.05 -0.04 7.69 7.67 1cl1A1 GLN 265 HA -0.03 -0.01 0.52 -0.75 4.36 4.09 1cl1A1 GLN 265 HB2 -0.07 0.05 0.18 -0.04 2.15 2.27 1cl1A1 GLN 265 HB3 -0.20 0.13 0.17 -0.04 2.02 2.08 1cl1A1 GLN 265 HG2 -0.09 0.02 0.04 -0.04 2.40 2.33 1cl1A1 GLN 265 HG3 -0.08 0.01 -0.08 -0.04 2.39 2.20 1cl1A1 HIS 266 H -0.09 0.61 -0.05 -0.55 8.41 8.33 1cl1A1 HIS 266 HA 0.04 0.12 0.38 -0.75 4.63 4.42 1cl1A1 HIS 266 HB2 -0.04 0.11 0.12 -0.04 3.26 3.42 1cl1A1 HIS 266 HB3 0.01 -0.18 -0.12 -0.04 3.20 2.87 1cl1A1 HIS 266 HD2 0.04 -0.08 -0.41 -0.04 6.97 6.48 1cl1A1 HIS 266 HE1 0.23 0.02 -0.02 -0.04 7.75 7.94 1cl1A1 HIS 267 H 0.19 0.59 -0.25 -0.55 8.41 8.40 1cl1A1 HIS 267 HA 0.07 0.06 0.30 -0.75 4.63 4.30 1cl1A1 HIS 267 HB2 0.05 0.30 0.24 -0.04 3.26 3.81 1cl1A1 HIS 267 HB3 0.05 0.08 0.24 -0.04 3.20 3.53 1cl1A1 HIS 267 HD2 0.16 -0.02 0.15 -0.04 6.97 7.22 1cl1A1 HIS 267 HE1 0.14 0.01 -0.04 -0.04 7.75 7.81 1cl1A1 GLU 268 H 0.09 0.58 -0.05 -0.55 8.60 8.67 1cl1A1 GLU 268 HA 0.04 0.01 0.38 -0.75 4.29 3.96 1cl1A1 GLU 268 HB2 -0.04 0.06 0.17 -0.04 2.09 2.23 1cl1A1 GLU 268 HB3 0.00 0.06 0.22 -0.04 1.99 2.22 1cl1A1 GLU 268 HG2 -0.00 -0.05 -0.17 -0.04 2.34 2.08 1cl1A1 GLU 268 HG3 -0.02 -0.02 0.05 -0.04 2.34 2.31 1cl1A1 SER 269 H 0.06 0.74 -0.07 -0.55 8.46 8.64 1cl1A1 SER 269 HA 0.03 -0.04 0.47 -0.75 4.49 4.20 1cl1A1 SER 269 HB2 0.06 0.18 0.10 -0.04 3.95 4.25 1cl1A1 SER 269 HB3 0.04 -0.13 0.02 -0.04 3.93 3.82 1cl1A1 SER 270 H 0.12 0.65 -0.13 -0.55 8.46 8.56 1cl1A1 SER 270 HA 0.21 -0.04 0.40 -0.75 4.49 4.30 1cl1A1 SER 270 HB2 0.26 -0.10 0.00 -0.04 3.95 4.08 1cl1A1 SER 270 HB3 0.21 0.03 0.20 -0.04 3.93 4.33 1cl1A1 LEU 271 H 0.04 0.54 -0.23 -0.55 8.37 8.17 1cl1A1 LEU 271 HA -0.48 0.01 0.44 -0.75 4.35 3.56 1cl1A1 LEU 271 HB2 -0.02 0.10 0.10 -0.04 1.64 1.78 1cl1A1 LEU 271 HB3 0.01 0.10 0.12 -0.04 1.64 1.82 1cl1A1 LEU 271 HG -0.09 -0.04 -0.13 -0.04 1.64 1.33 1cl1A1 LEU 271 HD13 -0.35 -0.01 -0.06 -0.04 0.93 0.47 1cl1A1 LEU 271 HD23 0.08 0.00 -0.02 -0.04 0.89 0.91 1cl1A1 LYS 272 H -0.00 0.48 -0.16 -0.55 8.42 8.19 1cl1A1 LYS 272 HA 0.01 0.03 0.35 -0.75 4.32 3.95 1cl1A1 LYS 272 HB2 0.01 0.07 0.13 -0.04 1.87 2.03 1cl1A1 LYS 272 HB3 0.02 0.09 0.16 -0.04 1.79 2.01 1cl1A1 LYS 272 HG2 0.01 -0.02 -0.23 -0.04 1.46 1.19 1cl1A1 LYS 272 HG3 0.02 -0.00 0.02 -0.04 1.46 1.46 1cl1A1 LYS 272 HD2 -0.00 0.02 -0.01 -0.04 1.69 1.65 1cl1A1 LYS 272 HD3 -0.02 -0.06 -0.05 -0.04 1.68 1.51 1cl1A1 LYS 272 HE2 -0.05 -0.01 -0.08 -0.04 2.99 2.80 1cl1A1 LYS 272 HE3 -0.00 0.03 -0.04 -0.04 2.99 2.95 1cl1A1 VAL 273 H 0.05 0.56 -0.19 -0.55 8.24 8.12 1cl1A1 VAL 273 HA 0.16 -0.01 0.41 -0.75 4.13 3.94 1cl1A1 VAL 273 HB 0.26 0.13 0.12 -0.04 2.12 2.59 1cl1A1 VAL 273 HG13 0.37 -0.02 -0.16 -0.04 0.97 1.11 1cl1A1 VAL 273 HG23 0.12 0.04 0.01 -0.04 0.95 1.07 1cl1A1 ALA 274 H -0.10 0.62 -0.20 -0.55 8.40 8.17 1cl1A1 ALA 274 HA 0.04 -0.04 0.31 -0.75 4.34 3.90 1cl1A1 ALA 274 HB3 -0.53 0.03 0.06 -0.04 1.41 0.94 1cl1A1 GLU 275 H -0.06 0.66 -0.14 -0.55 8.60 8.52 1cl1A1 GLU 275 HA -0.05 0.03 0.41 -0.75 4.29 3.93 1cl1A1 GLU 275 HB2 0.03 0.08 0.08 -0.04 2.09 2.24 1cl1A1 GLU 275 HB3 -0.00 -0.04 0.02 -0.04 1.99 1.93 1cl1A1 GLU 275 HG2 -0.09 -0.04 0.02 -0.04 2.34 2.19 1cl1A1 GLU 275 HG3 -0.11 0.25 0.07 -0.04 2.34 2.50 1cl1A1 TRP 276 H 0.24 0.40 -0.33 -0.55 7.97 7.74 1cl1A1 TRP 276 HE1 0.09 -0.01 -0.04 -0.04 10.20 10.19 1cl1A1 TRP 276 HA 0.00 0.03 0.42 -0.75 4.62 4.32 1cl1A1 TRP 276 HB2 0.02 0.01 0.10 -0.04 3.23 3.32 1cl1A1 TRP 276 HB3 0.03 0.13 0.20 -0.04 3.23 3.55 1cl1A1 TRP 276 HD1 0.04 0.00 -0.01 -0.04 7.22 7.21 1cl1A1 TRP 276 HE3 0.04 0.11 -0.05 -0.04 7.59 7.64 1cl1A1 TRP 276 HZ2 0.21 -0.02 -0.03 -0.04 7.44 7.56 1cl1A1 TRP 276 HZ3 0.07 -0.03 -0.09 -0.04 7.13 7.03 1cl1A1 TRP 276 HH2 0.22 -0.04 -0.21 -0.04 7.19 7.12 1cl1A1 LEU 277 H 0.25 0.65 -0.05 -0.55 8.37 8.67 1cl1A1 LEU 277 HA -0.45 -0.03 0.33 -0.75 4.35 3.45 1cl1A1 LEU 277 HB2 0.04 0.14 0.11 -0.04 1.64 1.89 1cl1A1 LEU 277 HB3 -0.19 -0.05 -0.08 -0.04 1.64 1.27 1cl1A1 LEU 277 HG 0.36 0.07 -0.02 -0.04 1.64 2.01 1cl1A1 LEU 277 HD13 -0.08 -0.02 -0.15 -0.04 0.93 0.63 1cl1A1 LEU 277 HD23 -0.34 -0.02 -0.07 -0.04 0.89 0.41 1cl1A1 ALA 278 H -0.05 0.54 -0.27 -0.55 8.40 8.07 1cl1A1 ALA 278 HA -0.07 -0.03 0.27 -0.75 4.34 3.75 1cl1A1 ALA 278 HB3 -0.06 0.03 0.07 -0.04 1.41 1.41 1cl1A1 GLU 279 H -0.18 0.34 -0.65 -0.55 8.60 7.56 1cl1A1 GLU 279 HA -0.14 0.17 0.84 -0.75 4.29 4.41 1cl1A1 GLU 279 HB2 -0.11 0.11 0.07 -0.04 2.09 2.12 1cl1A1 GLU 279 HB3 -0.17 -0.05 0.07 -0.04 1.99 1.79 1cl1A1 GLU 279 HG2 -0.07 -0.07 0.03 -0.04 2.34 2.19 1cl1A1 GLU 279 HG3 -0.10 -0.02 0.10 -0.04 2.34 2.27 1cl1A1 HIS 280 H -0.26 0.52 -0.21 -0.55 8.41 7.91 1cl1A1 HIS 280 HA -0.45 0.12 0.67 -0.75 4.63 4.22 1cl1A1 HIS 280 HB2 -0.97 0.06 0.08 -0.04 3.26 2.40 1cl1A1 HIS 280 HB3 -0.65 -0.01 0.11 -0.04 3.20 2.61 1cl1A1 HIS 280 HD2 -1.02 0.02 -0.04 -0.04 6.97 5.89 1cl1A1 HIS 280 HE1 -0.44 0.01 -0.03 -0.04 7.75 7.25 1cl1A1 PRO 281 HA -0.19 0.14 0.35 -0.51 4.44 4.24 1cl1A1 PRO 281 HB2 -0.26 -0.03 0.03 -0.04 2.28 1.99 1cl1A1 PRO 281 HB3 -0.18 0.02 0.08 -0.04 2.02 1.91 1cl1A1 PRO 281 HG2 -0.33 0.00 0.09 -0.04 2.03 1.75 1cl1A1 PRO 281 HG3 -0.26 0.09 0.11 -0.04 2.03 1.92 1cl1A1 PRO 281 HD2 -1.40 0.02 0.20 -0.04 3.68 2.47 1cl1A1 PRO 281 HD3 -0.64 0.26 0.32 -0.04 3.65 3.55 1cl1A1 GLN 282 H -0.03 0.08 -0.25 -0.55 8.47 7.72 1cl1A1 GLN 282 HE21 0.22 0.20 -0.11 -0.04 6.97 7.24 1cl1A1 GLN 282 HE22 0.11 -0.06 -0.05 -0.04 7.69 7.65 1cl1A1 GLN 282 HA -0.08 0.17 0.68 -0.75 4.36 4.38 1cl1A1 GLN 282 HB2 -0.57 0.00 0.01 -0.04 2.15 1.55 1cl1A1 GLN 282 HB3 -0.05 -0.07 0.13 -0.04 2.02 1.99 1cl1A1 GLN 282 HG2 -0.03 0.04 -0.03 -0.04 2.40 2.34 1cl1A1 GLN 282 HG3 -0.08 -0.04 -0.07 -0.04 2.39 2.16 1cl1A1 VAL 283 H -0.14 0.51 -0.38 -0.55 8.24 7.68 1cl1A1 VAL 283 HA 0.06 -0.01 0.85 -0.75 4.13 4.29 1cl1A1 VAL 283 HB -0.12 0.29 0.06 -0.04 2.12 2.31 1cl1A1 VAL 283 HG13 0.07 -0.04 -0.28 -0.04 0.97 0.68 1cl1A1 VAL 283 HG23 -0.22 -0.07 -0.11 -0.04 0.95 0.52 1cl1A1 ALA 284 H 0.05 0.48 0.31 -0.55 8.40 8.70 1cl1A1 ALA 284 HA -0.01 0.16 0.66 -0.75 4.34 4.39 1cl1A1 ALA 284 HB3 0.02 -0.03 -0.12 -0.04 1.41 1.24 1cl1A1 ARG 285 H 0.05 0.36 0.21 -0.55 8.46 8.53 1cl1A1 ARG 285 HA -0.00 0.20 0.65 -0.75 4.34 4.43 1cl1A1 ARG 285 HB2 -0.00 0.11 -0.29 -0.04 1.90 1.68 1cl1A1 ARG 285 HB3 -0.03 -0.13 -0.04 -0.04 1.80 1.56 1cl1A1 ARG 285 HG2 -0.02 -0.04 -0.28 -0.04 1.67 1.29 1cl1A1 ARG 285 HG3 -0.01 0.08 0.06 -0.04 1.67 1.75 1cl1A1 ARG 285 HD2 -0.01 0.03 -0.01 -0.04 3.22 3.20 1cl1A1 ARG 285 HD3 0.00 0.03 -0.04 -0.04 3.22 3.17 1cl1A1 VAL 286 H 0.01 0.27 0.12 -0.55 8.24 8.09 1cl1A1 VAL 286 HA 0.18 0.12 1.12 -0.75 4.13 4.79 1cl1A1 VAL 286 HB 0.01 0.03 0.11 -0.04 2.12 2.23 1cl1A1 VAL 286 HG13 0.18 -0.01 -0.15 -0.04 0.97 0.95 1cl1A1 VAL 286 HG23 0.05 0.03 -0.20 -0.04 0.95 0.78 1cl1A1 ASN 287 H 0.14 0.69 0.26 -0.55 8.53 9.07 1cl1A1 ASN 287 HD21 -0.24 -0.04 -0.18 -0.04 7.03 6.53 1cl1A1 ASN 287 HD22 -0.16 -0.02 -0.17 -0.04 7.74 7.36 1cl1A1 ASN 287 HA -0.01 0.11 0.86 -0.75 4.76 4.96 1cl1A1 ASN 287 HB2 -0.02 -0.08 0.19 -0.04 2.88 2.93 1cl1A1 ASN 287 HB3 -0.07 0.12 0.04 -0.04 2.79 2.84 1cl1A1 HIS 288 H 0.01 0.38 -0.04 -0.55 8.41 8.21 1cl1A1 HIS 288 HA -0.07 0.20 0.82 -0.75 4.63 4.83 1cl1A1 HIS 288 HB2 -0.34 0.03 -0.14 -0.04 3.26 2.78 1cl1A1 HIS 288 HB3 -0.28 -0.00 0.05 -0.04 3.20 2.92 1cl1A1 HIS 288 HD2 -1.78 0.02 -0.13 -0.04 6.97 5.04 1cl1A1 HIS 288 HE1 -0.25 0.03 -0.05 -0.04 7.75 7.43 1cl1A1 PRO 289 HA -0.25 0.06 0.30 -0.51 4.44 4.04 1cl1A1 PRO 289 HB2 -0.95 0.03 0.01 -0.04 2.28 1.32 1cl1A1 PRO 289 HB3 -0.64 0.00 0.04 -0.04 2.02 1.37 1cl1A1 PRO 289 HG2 -1.18 0.01 0.07 -0.04 2.03 0.88 1cl1A1 PRO 289 HG3 -0.57 0.19 0.07 -0.04 2.03 1.68 1cl1A1 PRO 289 HD2 -0.42 0.12 0.19 -0.04 3.68 3.53 1cl1A1 PRO 289 HD3 -0.32 0.21 0.12 -0.04 3.65 3.62 1cl1A1 ALA 290 H -0.22 0.07 -0.38 -0.55 8.40 7.32 1cl1A1 ALA 290 HA -1.51 0.14 0.51 -0.75 4.34 2.73 1cl1A1 ALA 290 HB3 -0.81 0.00 -0.01 -0.04 1.41 0.55 1cl1A1 LEU 291 H -0.25 0.55 -0.36 -0.55 8.37 7.76 1cl1A1 LEU 291 HA -0.30 0.20 0.89 -0.75 4.35 4.39 1cl1A1 LEU 291 HB2 -0.31 -0.13 -0.01 -0.04 1.64 1.14 1cl1A1 LEU 291 HB3 -0.19 0.01 0.09 -0.04 1.64 1.51 1cl1A1 LEU 291 HG -0.17 0.12 -0.01 -0.04 1.64 1.53 1cl1A1 LEU 291 HD13 -0.21 -0.00 -0.02 -0.04 0.93 0.65 1cl1A1 LEU 291 HD23 -0.13 -0.02 -0.12 -0.04 0.89 0.58 1cl1A1 PRO 292 HA -0.79 -0.05 0.48 -0.51 4.44 3.57 1cl1A1 PRO 292 HB2 -0.16 0.04 0.06 -0.04 2.28 2.19 1cl1A1 PRO 292 HB3 -0.13 -0.01 0.09 -0.04 2.02 1.93 1cl1A1 PRO 292 HG2 -0.09 0.04 0.08 -0.04 2.03 2.02 1cl1A1 PRO 292 HG3 -0.19 0.04 0.06 -0.04 2.03 1.90 1cl1A1 PRO 292 HD2 -0.20 0.09 0.22 -0.04 3.68 3.75 1cl1A1 PRO 292 HD3 -0.25 0.33 0.24 -0.04 3.65 3.93 1cl1A1 GLY 293 H -0.12 0.07 0.19 -0.55 8.43 8.03 1cl1A1 GLY 293 HA2 -0.04 -0.04 0.37 -0.51 4.01 3.78 1cl1A1 GLY 293 HA3 -0.07 0.20 0.63 -0.51 4.01 4.26 1cl1A1 SER 294 H -0.14 0.37 -0.25 -0.55 8.46 7.90 1cl1A1 SER 294 HA -0.04 0.12 0.68 -0.75 4.49 4.49 1cl1A1 SER 294 HB2 -0.10 0.23 0.11 -0.04 3.95 4.15 1cl1A1 SER 294 HB3 -0.06 -0.05 -0.04 -0.04 3.93 3.74 1cl1A1 LYS 295 H -0.02 0.19 0.12 -0.55 8.42 8.15 1cl1A1 LYS 295 HA 0.02 0.02 0.47 -0.75 4.32 4.08 1cl1A1 LYS 295 HB2 -0.01 0.03 0.15 -0.04 1.87 1.99 1cl1A1 LYS 295 HB3 0.03 -0.04 0.03 -0.04 1.79 1.77 1cl1A1 LYS 295 HG2 0.03 0.02 0.05 -0.04 1.46 1.53 1cl1A1 LYS 295 HG3 0.01 0.07 0.10 -0.04 1.46 1.59 1cl1A1 LYS 295 HD2 0.01 0.01 0.01 -0.04 1.69 1.68 1cl1A1 LYS 295 HD3 0.04 -0.06 0.01 -0.04 1.68 1.63 1cl1A1 LYS 295 HE2 0.04 0.02 0.01 -0.04 2.99 3.02 1cl1A1 LYS 295 HE3 0.03 0.06 0.01 -0.04 2.99 3.05 1cl1A1 GLY 296 H 0.04 0.18 0.29 -0.55 8.43 8.38 1cl1A1 GLY 296 HA2 0.11 0.01 0.39 -0.51 4.01 4.01 1cl1A1 GLY 296 HA3 0.20 0.19 0.69 -0.51 4.01 4.58 1cl1A1 HIS 297 H 0.06 0.59 -0.11 -0.55 8.41 8.40 1cl1A1 HIS 297 HA 0.04 0.21 0.36 -0.75 4.63 4.48 1cl1A1 HIS 297 HB2 -0.06 0.14 0.10 -0.04 3.26 3.40 1cl1A1 HIS 297 HB3 -0.04 -0.12 0.15 -0.04 3.20 3.15 1cl1A1 HIS 297 HD2 0.01 -0.08 -0.12 -0.04 6.97 6.74 1cl1A1 HIS 297 HE1 0.20 0.11 -0.17 -0.04 7.75 7.86 1cl1A1 GLU 298 H -0.17 0.05 -0.29 -0.55 8.60 7.64 1cl1A1 GLU 298 HA -0.20 0.12 0.36 -0.75 4.29 3.81 1cl1A1 GLU 298 HB2 -0.80 0.00 -0.05 -0.04 2.09 1.21 1cl1A1 GLU 298 HB3 -0.23 0.07 0.06 -0.04 1.99 1.85 1cl1A1 GLU 298 HG2 -0.19 0.06 0.03 -0.04 2.34 2.21 1cl1A1 GLU 298 HG3 -0.09 0.02 0.05 -0.04 2.34 2.29 1cl1A1 PHE 299 H -0.40 0.24 -0.31 -0.55 8.34 7.32 1cl1A1 PHE 299 HA 0.06 0.08 0.55 -0.75 4.62 4.56 1cl1A1 PHE 299 HB2 0.06 0.14 0.04 -0.04 3.15 3.35 1cl1A1 PHE 299 HB3 0.08 -0.02 0.09 -0.04 3.06 3.17 1cl1A1 PHE 299 HD2 0.06 0.11 -0.03 -0.04 7.28 7.37 1cl1A1 PHE 299 HE2 0.06 0.02 0.00 -0.04 7.38 7.42 1cl1A1 PHE 299 HZ 0.05 0.04 0.00 -0.04 7.32 7.38 1cl1A1 TRP 300 H 0.18 0.41 -0.07 -0.55 7.97 7.95 1cl1A1 TRP 300 HE1 0.20 0.37 -0.00 -0.04 10.20 10.72 1cl1A1 TRP 300 HA -0.12 -0.02 0.37 -0.75 4.62 4.10 1cl1A1 TRP 300 HB2 -0.42 -0.09 0.05 -0.04 3.23 2.73 1cl1A1 TRP 300 HB3 -0.23 0.23 0.14 -0.04 3.23 3.33 1cl1A1 TRP 300 HD1 -1.40 -0.07 -0.02 -0.04 7.22 5.68 1cl1A1 TRP 300 HE3 -0.23 0.10 -0.12 -0.04 7.59 7.30 1cl1A1 TRP 300 HZ2 0.06 -0.13 -0.36 -0.04 7.44 6.97 1cl1A1 TRP 300 HZ3 0.11 0.02 -0.05 -0.04 7.13 7.17 1cl1A1 TRP 300 HH2 0.16 0.00 -0.09 -0.04 7.19 7.22 1cl1A1 LYS 301 H 0.02 0.54 -0.18 -0.55 8.42 8.25 1cl1A1 LYS 301 HA -0.49 0.04 0.32 -0.75 4.32 3.44 1cl1A1 LYS 301 HB2 -0.28 0.12 0.12 -0.04 1.87 1.79 1cl1A1 LYS 301 HB3 -0.11 0.07 0.09 -0.04 1.79 1.80 1cl1A1 LYS 301 HG2 -0.03 0.01 -0.03 -0.04 1.46 1.37 1cl1A1 LYS 301 HG3 0.07 -0.00 0.03 -0.04 1.46 1.51 1cl1A1 LYS 301 HD2 0.01 -0.03 -0.04 -0.04 1.69 1.59 1cl1A1 LYS 301 HD3 -0.01 -0.03 -0.01 -0.04 1.68 1.59 1cl1A1 LYS 301 HE2 0.16 0.02 -0.01 -0.04 2.99 3.11 1cl1A1 LYS 301 HE3 0.12 -0.05 -0.01 -0.04 2.99 3.01 1cl1A1 ARG 302 H -0.01 0.18 -0.38 -0.55 8.46 7.70 1cl1A1 ARG 302 HA 0.01 0.10 0.57 -0.75 4.34 4.26 1cl1A1 ARG 302 HB2 0.06 0.01 0.13 -0.04 1.90 2.06 1cl1A1 ARG 302 HB3 0.16 -0.04 0.20 -0.04 1.80 2.08 1cl1A1 ARG 302 HG2 0.13 0.04 -0.11 -0.04 1.67 1.68 1cl1A1 ARG 302 HG3 0.08 -0.02 0.04 -0.04 1.67 1.73 1cl1A1 ARG 302 HD2 0.13 -0.02 -0.01 -0.04 3.22 3.27 1cl1A1 ARG 302 HD3 0.14 -0.03 0.00 -0.04 3.22 3.29 1cl1A1 ASP 303 H 0.16 0.62 0.07 -0.55 8.40 8.69 1cl1A1 ASP 303 HA 0.26 0.19 0.83 -0.75 4.63 5.16 1cl1A1 ASP 303 HB2 0.29 0.02 0.05 -0.04 2.71 3.03 1cl1A1 ASP 303 HB3 0.18 -0.09 0.04 -0.04 2.70 2.78 1cl1A1 PHE 304 H 0.12 0.46 0.09 -0.55 8.34 8.47 1cl1A1 PHE 304 HA 0.14 0.21 0.99 -0.75 4.62 5.20 1cl1A1 PHE 304 HB2 -1.01 0.17 0.16 -0.04 3.15 2.42 1cl1A1 PHE 304 HB3 -0.04 -0.05 0.21 -0.04 3.06 3.14 1cl1A1 PHE 304 HD2 0.24 0.04 -0.01 -0.04 7.28 7.51 1cl1A1 PHE 304 HE2 0.07 -0.07 -0.11 -0.04 7.38 7.23 1cl1A1 PHE 304 HZ -0.32 -0.03 -0.25 -0.04 7.32 6.67 1cl1A1 THR 305 H 0.17 0.51 0.31 -0.55 8.28 8.72 1cl1A1 THR 305 HA -0.01 0.24 0.87 -0.75 4.39 4.73 1cl1A1 THR 305 HB 0.05 -0.06 0.19 -0.04 4.32 4.47 1cl1A1 THR 305 HG23 0.03 0.01 -0.10 -0.04 1.22 1.12 1cl1A1 GLY 306 H 0.19 0.21 -0.01 -0.55 8.43 8.28 1cl1A1 GLY 306 HA2 0.45 0.07 0.31 -0.51 4.01 4.33 1cl1A1 GLY 306 HA3 0.30 0.08 0.46 -0.51 4.01 4.33 1cl1A1 SER 307 H 0.09 0.28 0.20 -0.55 8.46 8.48 1cl1A1 SER 307 HA 0.10 0.09 0.82 -0.75 4.49 4.75 1cl1A1 SER 307 HB2 0.05 0.00 -0.13 -0.04 3.95 3.83 1cl1A1 SER 307 HB3 -0.77 0.00 0.06 -0.04 3.93 3.18 1cl1A1 SER 308 H -1.45 0.07 0.12 -0.55 8.46 6.65 1cl1A1 SER 308 HA -0.41 0.24 0.84 -0.75 4.49 4.39 1cl1A1 SER 308 HB2 -1.01 -0.11 0.26 -0.04 3.95 3.05 1cl1A1 SER 308 HB3 -0.91 0.14 0.16 -0.04 3.93 3.28 1cl1A1 GLY 309 H -0.07 0.10 0.14 -0.55 8.43 8.05 1cl1A1 GLY 309 HA2 0.08 0.33 0.82 -0.51 4.01 4.73 1cl1A1 GLY 309 HA3 0.02 0.14 0.41 -0.51 4.01 4.08 1cl1A1 LEU 310 H 0.01 0.08 -0.08 -0.55 8.37 7.84 1cl1A1 LEU 310 HA 0.05 0.34 1.13 -0.75 4.35 5.11 1cl1A1 LEU 310 HB2 -0.26 -0.11 0.08 -0.04 1.64 1.30 1cl1A1 LEU 310 HB3 -0.10 -0.04 0.12 -0.04 1.64 1.57 1cl1A1 LEU 310 HG -0.31 0.14 -0.07 -0.04 1.64 1.36 1cl1A1 LEU 310 HD13 -0.45 0.03 -0.06 -0.04 0.93 0.41 1cl1A1 LEU 310 HD23 -1.56 -0.04 -0.07 -0.04 0.89 -0.82 1cl1A1 PHE 311 H -0.12 0.66 0.44 -0.55 8.34 8.76 1cl1A1 PHE 311 HA -0.13 0.07 0.45 -0.75 4.62 4.26 1cl1A1 PHE 311 HB2 -0.13 0.28 0.34 -0.04 3.15 3.61 1cl1A1 PHE 311 HB3 -0.36 0.04 -0.08 -0.04 3.06 2.62 1cl1A1 PHE 311 HD2 0.07 0.07 -0.27 -0.04 7.28 7.11 1cl1A1 PHE 311 HE2 0.15 -0.03 -0.12 -0.04 7.38 7.33 1cl1A1 PHE 311 HZ 0.14 -0.06 -0.18 -0.04 7.32 7.18 1cl1A1 SER 312 H 0.12 0.56 0.34 -0.55 8.46 8.94 1cl1A1 SER 312 HA -0.26 0.16 0.96 -0.75 4.49 4.60 1cl1A1 SER 312 HB2 -0.23 0.01 0.09 -0.04 3.95 3.78 1cl1A1 SER 312 HB3 -0.17 -0.05 0.01 -0.04 3.93 3.68 1cl1A1 PHE 313 H -0.36 0.68 0.44 -0.55 8.34 8.55 1cl1A1 PHE 313 HA -0.03 0.07 0.79 -0.75 4.62 4.69 1cl1A1 PHE 313 HB2 0.04 0.15 0.16 -0.04 3.15 3.45 1cl1A1 PHE 313 HB3 0.12 -0.01 -0.01 -0.04 3.06 3.12 1cl1A1 PHE 313 HD2 -0.05 0.02 -0.25 -0.04 7.28 6.96 1cl1A1 PHE 313 HE2 -0.00 -0.01 -0.14 -0.04 7.38 7.19 1cl1A1 PHE 313 HZ -0.04 -0.00 -0.10 -0.04 7.32 7.13 1cl1A1 VAL 314 H 0.08 0.85 0.38 -0.55 8.24 9.00 1cl1A1 VAL 314 HA -0.21 0.22 1.09 -0.75 4.13 4.47 1cl1A1 VAL 314 HB -0.07 -0.06 0.14 -0.04 2.12 2.08 1cl1A1 VAL 314 HG13 -0.03 0.09 -0.13 -0.04 0.97 0.85 1cl1A1 VAL 314 HG23 -0.51 -0.01 -0.15 -0.04 0.95 0.24 1cl1A1 LEU 315 H -0.06 0.64 0.26 -0.55 8.37 8.66 1cl1A1 LEU 315 HA 0.13 0.15 0.78 -0.75 4.35 4.66 1cl1A1 LEU 315 HB2 -0.02 0.02 0.24 -0.04 1.64 1.83 1cl1A1 LEU 315 HB3 0.03 -0.06 0.22 -0.04 1.64 1.79 1cl1A1 LEU 315 HG -0.01 -0.01 0.00 -0.04 1.64 1.59 1cl1A1 LEU 315 HD13 -0.18 -0.03 0.01 -0.04 0.93 0.69 1cl1A1 LEU 315 HD23 0.34 0.01 -0.03 -0.04 0.89 1.18 1cl1A1 LYS 316 H 0.03 0.61 0.30 -0.55 8.42 8.80 1cl1A1 LYS 316 HA 0.01 0.06 0.49 -0.75 4.32 4.13 1cl1A1 LYS 316 HB2 -0.01 0.04 0.11 -0.04 1.87 1.96 1cl1A1 LYS 316 HB3 -0.01 -0.03 0.03 -0.04 1.79 1.74 1cl1A1 LYS 316 HG2 -0.01 -0.04 -0.09 -0.04 1.46 1.28 1cl1A1 LYS 316 HG3 -0.02 -0.05 -0.55 -0.04 1.46 0.81 1cl1A1 LYS 316 HD2 -0.05 0.15 0.03 -0.04 1.69 1.78 1cl1A1 LYS 316 HD3 -0.03 -0.11 -0.01 -0.04 1.68 1.49 1cl1A1 LYS 316 HE2 -0.04 -0.10 -0.04 -0.04 2.99 2.77 1cl1A1 LYS 316 HE3 -0.05 0.25 -0.22 -0.04 2.99 2.92 1cl1A1 LYS 317 H 0.00 0.08 -0.05 -0.55 8.42 7.90 1cl1A1 LYS 317 HA -0.00 0.27 1.00 -0.75 4.32 4.83 1cl1A1 LYS 317 HB2 -0.01 0.01 0.05 -0.04 1.87 1.88 1cl1A1 LYS 317 HB3 -0.01 0.05 -0.08 -0.04 1.79 1.71 1cl1A1 LYS 317 HG2 -0.01 0.10 -0.02 -0.04 1.46 1.50 1cl1A1 LYS 317 HG3 -0.02 -0.10 -0.08 -0.04 1.46 1.22 1cl1A1 LYS 317 HD2 -0.02 -0.03 -0.16 -0.04 1.69 1.44 1cl1A1 LYS 317 HD3 -0.02 0.06 -0.64 -0.04 1.68 1.04 1cl1A1 LYS 317 HE2 -0.01 -0.00 -0.03 -0.04 2.99 2.91 1cl1A1 LYS 317 HE3 -0.00 0.09 -0.02 -0.04 2.99 3.02 1cl1A1 LYS 318 H -0.01 0.23 0.14 -0.55 8.42 8.22 1cl1A1 LYS 318 HA -0.02 -0.09 0.92 -0.75 4.32 4.37 1cl1A1 LYS 318 HB2 -0.01 0.31 0.20 -0.04 1.87 2.33 1cl1A1 LYS 318 HB3 -0.02 -0.02 0.20 -0.04 1.79 1.91 1cl1A1 LYS 318 HG2 -0.03 0.13 -0.18 -0.04 1.46 1.33 1cl1A1 LYS 318 HG3 -0.04 -0.07 0.04 -0.04 1.46 1.35 1cl1A1 LYS 318 HD2 -0.05 0.05 0.05 -0.04 1.69 1.69 1cl1A1 LYS 318 HD3 -0.04 -0.00 0.02 -0.04 1.68 1.62 1cl1A1 LYS 318 HE2 -0.05 0.05 -0.02 -0.04 2.99 2.93 1cl1A1 LYS 318 HE3 -0.09 -0.11 0.03 -0.04 2.99 2.78 1cl1A1 LEU 319 H -0.04 0.10 0.16 -0.55 8.37 8.04 1cl1A1 LEU 319 HA -0.02 0.09 0.51 -0.75 4.35 4.18 1cl1A1 LEU 319 HB2 -0.03 -0.04 0.02 -0.04 1.64 1.55 1cl1A1 LEU 319 HB3 -0.02 -0.03 -0.03 -0.04 1.64 1.53 1cl1A1 LEU 319 HG -0.09 -0.00 0.06 -0.04 1.64 1.57 1cl1A1 LEU 319 HD13 -0.19 0.02 -0.09 -0.04 0.93 0.62 1cl1A1 LEU 319 HD23 -0.07 0.02 -0.06 -0.04 0.89 0.73 1cl1A1 ASN 320 H -0.00 0.11 0.20 -0.55 8.53 8.30 1cl1A1 ASN 320 HD21 0.01 0.06 0.04 -0.04 7.03 7.10 1cl1A1 ASN 320 HD22 0.00 0.12 0.07 -0.04 7.74 7.89 1cl1A1 ASN 320 HA -0.00 0.23 0.72 -0.75 4.76 4.95 1cl1A1 ASN 320 HB2 0.00 -0.03 0.19 -0.04 2.88 3.00 1cl1A1 ASN 320 HB3 -0.00 0.16 0.13 -0.04 2.79 3.03 1cl1A1 ASN 321 H 0.01 0.22 0.16 -0.55 8.53 8.37 1cl1A1 ASN 321 HA 0.02 0.10 0.32 -0.75 4.76 4.45 1cl1A1 GLU 322 H 0.02 0.09 -0.14 -0.55 8.60 8.02 1cl1A1 GLU 322 HA 0.02 0.13 0.47 -0.75 4.29 4.16 1cl1A1 GLU 322 HB2 0.02 -0.04 0.07 -0.04 2.09 2.10 1cl1A1 GLU 322 HB3 0.02 0.10 -0.01 -0.04 1.99 2.06 1cl1A1 GLU 322 HG2 0.02 0.05 0.03 -0.04 2.34 2.40 1cl1A1 GLU 322 HG3 0.01 -0.07 0.05 -0.04 2.34 2.29 1cl1A1 GLU 323 H 0.02 0.02 -0.21 -0.55 8.60 7.88 1cl1A1 GLU 323 HA 0.04 0.16 0.43 -0.75 4.29 4.18 1cl1A1 GLU 323 HB2 0.01 -0.06 0.16 -0.04 2.09 2.16 1cl1A1 GLU 323 HB3 0.01 0.10 0.05 -0.04 1.99 2.11 1cl1A1 GLU 323 HG2 0.02 0.12 0.05 -0.04 2.34 2.49 1cl1A1 GLU 323 HG3 0.01 -0.12 0.08 -0.04 2.34 2.27 1cl1A1 LEU 324 H 0.04 0.53 -0.23 -0.55 8.37 8.16 1cl1A1 LEU 324 HA 0.11 0.03 0.33 -0.75 4.35 4.05 1cl1A1 LEU 324 HB2 0.04 0.06 0.05 -0.04 1.64 1.75 1cl1A1 LEU 324 HB3 0.06 0.01 -0.11 -0.04 1.64 1.56 1cl1A1 LEU 324 HG 0.02 0.01 -0.16 -0.04 1.64 1.46 1cl1A1 LEU 324 HD13 0.03 -0.02 -0.12 -0.04 0.93 0.78 1cl1A1 LEU 324 HD23 0.06 -0.01 -0.04 -0.04 0.89 0.86 1cl1A1 ALA 325 H 0.05 0.46 -0.18 -0.55 8.40 8.19 1cl1A1 ALA 325 HA 0.05 -0.00 0.40 -0.75 4.34 4.04 1cl1A1 ALA 325 HB3 0.03 0.03 0.12 -0.04 1.41 1.55 1cl1A1 ASN 326 H 0.06 0.47 -0.19 -0.55 8.53 8.33 1cl1A1 ASN 326 HD21 0.04 -0.01 0.04 -0.04 7.03 7.06 1cl1A1 ASN 326 HD22 0.05 0.04 -0.02 -0.04 7.74 7.78 1cl1A1 ASN 326 HA 0.04 0.01 0.30 -0.75 4.76 4.36 1cl1A1 ASN 326 HB2 0.04 -0.01 0.11 -0.04 2.88 2.99 1cl1A1 ASN 326 HB3 0.07 0.05 0.11 -0.04 2.79 2.98 1cl1A1 TYR 327 H 0.19 0.45 -0.33 -0.55 8.29 8.05 1cl1A1 TYR 327 HA 0.00 0.09 0.43 -0.75 4.56 4.33 1cl1A1 TYR 327 HB2 0.04 0.04 0.05 -0.04 3.06 3.15 1cl1A1 TYR 327 HB3 0.05 -0.01 0.19 -0.04 2.98 3.17 1cl1A1 TYR 327 HD2 0.01 0.09 -0.06 -0.04 7.15 7.15 1cl1A1 TYR 327 HE2 -0.13 -0.06 -0.23 -0.04 6.85 6.39 1cl1A1 LEU 328 H 0.19 0.61 0.06 -0.55 8.37 8.68 1cl1A1 LEU 328 HA 0.05 0.02 0.28 -0.75 4.35 3.95 1cl1A1 LEU 328 HB2 0.06 0.07 0.11 -0.04 1.64 1.84 1cl1A1 LEU 328 HB3 0.00 -0.03 -0.04 -0.04 1.64 1.53 1cl1A1 LEU 328 HG 0.19 0.03 0.04 -0.04 1.64 1.85 1cl1A1 LEU 328 HD13 0.03 -0.03 -0.04 -0.04 0.93 0.85 1cl1A1 LEU 328 HD23 -0.12 -0.01 -0.14 -0.04 0.89 0.57 1cl1A1 ASP 329 H 0.06 0.62 -0.03 -0.55 8.40 8.51 1cl1A1 ASP 329 HA 0.04 0.01 0.39 -0.75 4.63 4.31 1cl1A1 ASP 329 HB2 0.03 0.16 0.04 -0.04 2.71 2.90 1cl1A1 ASP 329 HB3 0.02 -0.06 0.10 -0.04 2.70 2.72 1cl1A1 ASN 330 H 0.02 0.29 -0.61 -0.55 8.53 7.68 1cl1A1 ASN 330 HD21 0.01 -0.15 -0.03 -0.04 7.03 6.82 1cl1A1 ASN 330 HD22 -0.01 0.60 0.13 -0.04 7.74 8.43 1cl1A1 ASN 330 HA -0.00 0.25 1.01 -0.75 4.76 5.26 1cl1A1 ASN 330 HB2 -0.09 0.17 0.08 -0.04 2.88 3.00 1cl1A1 ASN 330 HB3 -0.07 -0.09 0.15 -0.04 2.79 2.74 1cl1A1 PHE 331 H 0.18 0.29 -0.15 -0.55 8.34 8.11 1cl1A1 PHE 331 HA -0.04 0.03 0.57 -0.75 4.62 4.42 1cl1A1 PHE 331 HB2 -0.04 0.20 0.12 -0.04 3.15 3.38 1cl1A1 PHE 331 HB3 0.07 -0.24 0.05 -0.04 3.06 2.89 1cl1A1 PHE 331 HD2 -0.09 -0.01 0.04 -0.04 7.28 7.18 1cl1A1 PHE 331 HE2 -0.84 -0.06 -0.24 -0.04 7.38 6.20 1cl1A1 PHE 331 HZ -0.69 -0.04 -0.06 -0.04 7.32 6.49 1cl1A1 SER 332 H 0.11 0.04 0.22 -0.55 8.46 8.28 1cl1A1 SER 332 HA 0.05 0.27 0.81 -0.75 4.49 4.87 1cl1A1 SER 332 HB2 0.04 -0.08 0.09 -0.04 3.95 3.96 1cl1A1 SER 332 HB3 0.02 -0.00 0.04 -0.04 3.93 3.95 1cl1A1 LEU 333 H 0.20 -0.09 0.11 -0.55 8.37 8.05 1cl1A1 LEU 333 HA 0.00 0.27 0.94 -0.75 4.35 4.81 1cl1A1 LEU 333 HB2 0.02 -0.03 0.04 -0.04 1.64 1.63 1cl1A1 LEU 333 HB3 -0.14 -0.05 -0.03 -0.04 1.64 1.38 1cl1A1 LEU 333 HG 0.03 -0.03 -0.18 -0.04 1.64 1.42 1cl1A1 LEU 333 HD13 -0.02 0.01 -0.18 -0.04 0.93 0.70 1cl1A1 LEU 333 HD23 -0.01 0.04 -0.04 -0.04 0.89 0.84 1cl1A1 PHE 334 H 0.37 -0.08 0.03 -0.55 8.34 8.11 1cl1A1 PHE 334 HA -0.05 0.18 0.51 -0.75 4.62 4.50 1cl1A1 PHE 334 HB2 -0.39 -0.03 0.01 -0.04 3.15 2.70 1cl1A1 PHE 334 HB3 -0.34 0.05 -0.23 -0.04 3.06 2.50 1cl1A1 PHE 334 HD2 -0.00 -0.02 -0.21 -0.04 7.28 7.01 1cl1A1 PHE 334 HE2 -0.01 0.07 -0.02 -0.04 7.38 7.38 1cl1A1 PHE 334 HZ 0.01 -0.01 -0.09 -0.04 7.32 7.19 1cl1A1 SER 335 H 0.02 0.42 0.31 -0.55 8.46 8.66 1cl1A1 SER 335 HA 0.01 0.21 0.84 -0.75 4.49 4.80 1cl1A1 SER 335 HB2 -0.02 -0.02 0.01 -0.04 3.95 3.87 1cl1A1 SER 335 HB3 -0.02 0.03 -0.00 -0.04 3.93 3.90 1cl1A1 MET 336 H -0.04 0.18 0.16 -0.55 8.47 8.23 1cl1A1 MET 336 HA -0.09 0.34 0.96 -0.75 4.52 4.97 1cl1A1 MET 336 HB2 -0.07 -0.03 0.20 -0.04 2.15 2.21 1cl1A1 MET 336 HB3 -0.12 -0.05 0.07 -0.04 2.03 1.89 1cl1A1 MET 336 HG2 -0.10 0.18 0.05 -0.04 2.63 2.71 1cl1A1 MET 336 HG3 -0.07 0.03 -0.03 -0.04 2.56 2.46 1cl1A1 MET 336 HE3 -0.01 0.01 -0.04 -0.04 2.10 2.02 1cl1A1 ALA 337 H -0.13 0.38 0.23 -0.55 8.40 8.34 1cl1A1 ALA 337 HA -0.22 0.01 0.41 -0.75 4.34 3.78 1cl1A1 ALA 337 HB3 -0.05 0.05 -0.05 -0.04 1.41 1.31 1cl1A1 TYR 338 H -0.08 0.09 0.14 -0.55 8.29 7.88 1cl1A1 TYR 338 HA 0.07 0.14 0.74 -0.75 4.56 4.76 1cl1A1 TYR 338 HB2 0.03 0.01 0.07 -0.04 3.06 3.14 1cl1A1 TYR 338 HB3 0.07 -0.10 0.12 -0.04 2.98 3.03 1cl1A1 TYR 338 HD2 0.04 0.01 0.03 -0.04 7.15 7.19 1cl1A1 TYR 338 HE2 0.01 0.02 -0.02 -0.04 6.85 6.82 1cl1A1 SER 339 H 0.32 0.02 0.10 -0.55 8.46 8.36 1cl1A1 SER 339 HA -0.05 -0.07 0.31 -0.75 4.49 3.93 1cl1A1 SER 339 HB2 -0.01 -0.08 -0.20 -0.04 3.95 3.62 1cl1A1 SER 339 HB3 -0.05 0.25 0.23 -0.04 3.93 4.33 1cl1A1 TRP 340 H -0.44 0.28 0.16 -0.55 7.97 7.42 1cl1A1 TRP 340 HE1 -0.00 -0.05 -0.08 -0.04 10.20 10.03 1cl1A1 TRP 340 HA -0.44 0.15 0.30 -0.75 4.62 3.88 1cl1A1 TRP 340 HB2 -0.53 -0.10 0.10 -0.04 3.23 2.66 1cl1A1 TRP 340 HB3 -0.17 0.25 0.03 -0.04 3.23 3.29 1cl1A1 TRP 340 HD1 -0.02 0.05 -0.45 -0.04 7.22 6.77 1cl1A1 TRP 340 HE3 -0.40 0.03 -0.13 -0.04 7.59 7.04 1cl1A1 TRP 340 HZ2 0.05 -0.05 -0.07 -0.04 7.44 7.32 1cl1A1 TRP 340 HZ3 0.24 0.09 -0.04 -0.04 7.13 7.38 1cl1A1 TRP 340 HH2 0.26 -0.10 -0.20 -0.04 7.19 7.11 1cl1A1 GLY 341 H -1.26 0.21 0.09 -0.55 8.43 6.92 1cl1A1 GLY 341 HA2 -1.54 0.05 0.35 -0.51 4.01 2.35 1cl1A1 GLY 341 HA3 -1.02 0.09 0.60 -0.51 4.01 3.17 1cl1A1 GLY 342 H -0.50 -0.03 -0.26 -0.55 8.43 7.08 1cl1A1 GLY 342 HA2 -0.16 0.24 0.40 -0.51 4.01 3.98 1cl1A1 GLY 342 HA3 -0.27 -0.04 0.12 -0.51 4.01 3.31 1cl1A1 TYR 343 H -0.49 0.14 0.11 -0.55 8.29 7.51 1cl1A1 TYR 343 HA 0.14 0.19 0.61 -0.75 4.56 4.75 1cl1A1 TYR 343 HB2 -0.00 -0.04 0.14 -0.04 3.06 3.11 1cl1A1 TYR 343 HB3 -0.09 0.14 0.12 -0.04 2.98 3.11 1cl1A1 TYR 343 HD2 -0.08 0.04 -0.08 -0.04 7.15 7.00 1cl1A1 TYR 343 HE2 0.08 0.04 0.01 -0.04 6.85 6.94 1cl1A1 GLU 344 H -0.23 0.03 -0.23 -0.55 8.60 7.62 1cl1A1 GLU 344 HA 0.06 0.12 1.03 -0.75 4.29 4.75 1cl1A1 GLU 344 HB2 0.01 0.06 0.09 -0.04 2.09 2.21 1cl1A1 GLU 344 HB3 -0.08 -0.03 -0.05 -0.04 1.99 1.78 1cl1A1 GLU 344 HG2 -0.06 0.16 -0.44 -0.04 2.34 1.97 1cl1A1 GLU 344 HG3 -0.06 0.06 -0.08 -0.04 2.34 2.21 1cl1A1 SER 345 H -0.11 0.16 0.18 -0.55 8.46 8.13 1cl1A1 SER 345 HA 0.01 0.27 0.68 -0.75 4.49 4.69 1cl1A1 SER 345 HB2 -0.72 0.03 0.07 -0.04 3.95 3.30 1cl1A1 SER 345 HB3 -0.89 0.12 0.11 -0.04 3.93 3.23 1cl1A1 LEU 346 H 0.16 0.48 0.45 -0.55 8.37 8.91 1cl1A1 LEU 346 HA 0.07 0.24 1.10 -0.75 4.35 5.01 1cl1A1 LEU 346 HB2 0.12 -0.12 0.07 -0.04 1.64 1.67 1cl1A1 LEU 346 HB3 0.03 0.10 0.09 -0.04 1.64 1.83 1cl1A1 LEU 346 HG 0.06 -0.02 -0.41 -0.04 1.64 1.23 1cl1A1 LEU 346 HD13 0.00 -0.02 -0.20 -0.04 0.93 0.67 1cl1A1 LEU 346 HD23 -0.03 0.02 -0.19 -0.04 0.89 0.66 1cl1A1 ILE 347 H -0.02 0.68 0.33 -0.55 8.25 8.69 1cl1A1 ILE 347 HA -0.12 0.33 1.02 -0.75 4.18 4.66 1cl1A1 ILE 347 HB -0.42 -0.04 -0.19 -0.04 1.89 1.20 1cl1A1 ILE 347 HG12 -0.29 -0.04 -0.23 -0.04 1.49 0.88 1cl1A1 ILE 347 HG13 -0.32 0.06 0.01 -0.04 1.21 0.92 1cl1A1 ILE 347 HG23 -0.39 0.00 -0.24 -0.04 0.93 0.26 1cl1A1 ILE 347 HD13 -0.89 -0.00 -0.12 -0.04 0.88 -0.18 1cl1A1 LEU 348 H -0.14 0.59 0.36 -0.55 8.37 8.63 1cl1A1 LEU 348 HA -0.08 0.11 0.75 -0.75 4.35 4.37 1cl1A1 LEU 348 HB2 -0.04 -0.02 0.08 -0.04 1.64 1.62 1cl1A1 LEU 348 HB3 -0.00 0.02 0.00 -0.04 1.64 1.62 1cl1A1 LEU 348 HG -0.04 0.06 -0.20 -0.04 1.64 1.42 1cl1A1 LEU 348 HD13 0.15 -0.02 -0.03 -0.04 0.93 0.99 1cl1A1 LEU 348 HD23 -0.19 0.04 0.08 -0.04 0.89 0.78 1cl1A1 ALA 349 H -0.03 0.18 0.19 -0.55 8.40 8.19 1cl1A1 ALA 349 HA -0.09 0.33 1.15 -0.75 4.34 4.97 1cl1A1 ALA 349 HB3 0.00 -0.01 0.02 -0.04 1.41 1.38 1cl1A1 ASN 350 H -0.05 0.83 0.35 -0.55 8.53 9.11 1cl1A1 ASN 350 HD21 0.02 -0.02 -0.22 -0.04 7.03 6.77 1cl1A1 ASN 350 HD22 -0.04 0.04 -0.27 -0.04 7.74 7.43 1cl1A1 ASN 350 HA 0.12 0.11 0.89 -0.75 4.76 5.12 1cl1A1 ASN 350 HB2 0.00 0.01 0.04 -0.04 2.88 2.89 1cl1A1 ASN 350 HB3 0.08 0.01 -0.07 -0.04 2.79 2.77 1cl1A1 GLN 351 H -0.17 0.15 0.14 -0.55 8.47 8.04 1cl1A1 GLN 351 HE21 -0.04 0.39 0.07 -0.04 6.97 7.35 1cl1A1 GLN 351 HE22 -0.04 -0.09 -0.01 -0.04 7.69 7.51 1cl1A1 GLN 351 HA -0.11 0.18 0.69 -0.75 4.36 4.36 1cl1A1 GLN 351 HB2 -1.11 -0.07 0.12 -0.04 2.15 1.05 1cl1A1 GLN 351 HB3 -0.30 0.03 0.08 -0.04 2.02 1.79 1cl1A1 GLN 351 HG2 -0.17 -0.03 -0.00 -0.04 2.40 2.16 1cl1A1 GLN 351 HG3 -0.20 0.03 0.03 -0.04 2.39 2.21 1cl1A1 PRO 352 HA -0.13 0.07 0.31 -0.51 4.44 4.18 1cl1A1 PRO 352 HB2 -0.17 -0.01 0.05 -0.04 2.28 2.11 1cl1A1 PRO 352 HB3 -0.42 0.17 0.06 -0.04 2.02 1.79 1cl1A1 PRO 352 HG2 -0.04 0.26 -0.17 -0.04 2.03 2.04 1cl1A1 PRO 352 HG3 0.12 0.29 -0.19 -0.04 2.03 2.22 1cl1A1 PRO 352 HD2 -0.10 0.07 0.14 -0.04 3.68 3.75 1cl1A1 PRO 352 HD3 -0.01 0.11 0.15 -0.04 3.65 3.85 1cl1A1 GLU 353 H -0.16 0.13 -0.27 -0.55 8.60 7.76 1cl1A1 GLU 353 HA -0.08 0.11 0.35 -0.75 4.29 3.92 1cl1A1 GLU 353 HB2 -0.02 -0.01 -0.03 -0.04 2.09 1.99 1cl1A1 GLU 353 HB3 -0.01 0.06 0.03 -0.04 1.99 2.03 1cl1A1 GLU 353 HG2 -0.04 0.05 0.01 -0.04 2.34 2.32 1cl1A1 GLU 353 HG3 -0.08 0.04 0.02 -0.04 2.34 2.27 1cl1A1 HIS 354 H -0.13 0.23 -0.33 -0.55 8.41 7.64 1cl1A1 HIS 354 HA -0.03 0.08 0.38 -0.75 4.63 4.30 1cl1A1 HIS 354 HB2 0.00 0.12 0.10 -0.04 3.26 3.45 1cl1A1 HIS 354 HB3 -0.01 0.01 0.02 -0.04 3.20 3.17 1cl1A1 HIS 354 HD2 -0.02 0.00 -0.11 -0.04 6.97 6.79 1cl1A1 HIS 354 HE1 0.01 0.04 0.03 -0.04 7.75 7.78 1cl1A1 ILE 355 H 0.05 0.30 -0.25 -0.55 8.25 7.80 1cl1A1 ILE 355 HA 0.03 0.06 0.35 -0.75 4.18 3.87 1cl1A1 ILE 355 HB 0.03 0.09 0.05 -0.04 1.89 2.01 1cl1A1 ILE 355 HG12 0.13 0.08 -0.14 -0.04 1.49 1.52 1cl1A1 ILE 355 HG13 0.31 0.01 -0.12 -0.04 1.21 1.37 1cl1A1 ILE 355 HG23 0.09 0.00 -0.16 -0.04 0.93 0.83 1cl1A1 ILE 355 HD13 0.07 -0.01 -0.15 -0.04 0.88 0.74 1cl1A1 ALA 356 H -0.07 0.46 -0.12 -0.55 8.40 8.13 1cl1A1 ALA 356 HA -0.08 0.01 0.26 -0.75 4.34 3.78 1cl1A1 ALA 356 HB3 -0.09 0.03 0.09 -0.04 1.41 1.39 1cl1A1 ALA 357 H -0.03 0.30 -0.51 -0.55 8.40 7.61 1cl1A1 ALA 357 HA -0.07 0.03 0.38 -0.75 4.34 3.93 1cl1A1 ALA 357 HB3 -0.04 0.03 0.07 -0.04 1.41 1.43 1cl1A1 ILE 358 H -0.07 0.44 -0.43 -0.55 8.25 7.64 1cl1A1 ILE 358 HA -0.19 0.16 0.90 -0.75 4.18 4.30 1cl1A1 ILE 358 HB -0.13 -0.06 0.20 -0.04 1.89 1.86 1cl1A1 ILE 358 HG12 -0.04 0.17 0.16 -0.04 1.49 1.74 1cl1A1 ILE 358 HG13 -0.06 0.08 -0.01 -0.04 1.21 1.18 1cl1A1 ILE 358 HG23 -0.10 -0.03 -0.09 -0.04 0.93 0.67 1cl1A1 ILE 358 HD13 -0.03 -0.07 -0.02 -0.04 0.88 0.72 1cl1A1 ARG 359 H -0.15 0.34 -0.56 -0.55 8.46 7.55 1cl1A1 ARG 359 HA -0.16 0.31 0.76 -0.75 4.34 4.50 1cl1A1 ARG 359 HB2 -0.08 0.03 -0.02 -0.04 1.90 1.79 1cl1A1 ARG 359 HB3 -0.07 -0.13 -0.09 -0.04 1.80 1.47 1cl1A1 ARG 359 HG2 -0.05 0.16 -0.44 -0.04 1.67 1.29 1cl1A1 ARG 359 HG3 -0.02 -0.16 -0.26 -0.04 1.67 1.18 1cl1A1 ARG 359 HD2 -0.03 -0.15 -0.14 -0.04 3.22 2.85 1cl1A1 ARG 359 HD3 -0.07 0.49 0.07 -0.04 3.22 3.68 1cl1A1 PRO 360 HA -0.27 0.03 0.42 -0.51 4.44 4.11 1cl1A1 PRO 360 HB2 -1.57 -0.02 -0.06 -0.04 2.28 0.59 1cl1A1 PRO 360 HB3 -0.89 0.03 0.03 -0.04 2.02 1.16 1cl1A1 PRO 360 HG2 -2.13 0.00 -0.04 -0.04 2.03 -0.17 1cl1A1 PRO 360 HG3 -0.81 0.07 -0.03 -0.04 2.03 1.22 1cl1A1 PRO 360 HD2 -0.51 0.03 0.09 -0.04 3.68 3.25 1cl1A1 PRO 360 HD3 -0.44 0.26 -0.52 -0.04 3.65 2.91 1cl1A1 GLN 361 H -0.06 0.13 0.20 -0.55 8.47 8.19 1cl1A1 GLN 361 HE21 0.23 0.03 0.11 -0.04 6.97 7.30 1cl1A1 GLN 361 HE22 0.29 0.02 0.05 -0.04 7.69 8.00 1cl1A1 GLN 361 HA 0.04 0.02 0.35 -0.75 4.36 4.02 1cl1A1 GLN 361 HB2 0.20 0.10 -0.18 -0.04 2.15 2.23 1cl1A1 GLN 361 HB3 0.14 0.01 0.21 -0.04 2.02 2.33 1cl1A1 GLN 361 HG2 0.14 0.03 0.08 -0.04 2.40 2.60 1cl1A1 GLN 361 HG3 0.19 -0.07 -0.02 -0.04 2.39 2.45 1cl1A1 GLY 362 H -0.04 0.35 -0.22 -0.55 8.43 7.97 1cl1A1 GLY 362 HA2 0.03 0.09 0.68 -0.51 4.01 4.30 1cl1A1 GLY 362 HA3 -0.01 -0.01 0.12 -0.51 4.01 3.60 1cl1A1 GLU 363 H 0.00 0.16 0.12 -0.55 8.60 8.34 1cl1A1 GLU 363 HA -0.04 0.17 0.85 -0.75 4.29 4.52 1cl1A1 ILE 364 H -0.09 0.14 0.14 -0.55 8.25 7.90 1cl1A1 ILE 364 HA -0.05 0.07 0.61 -0.75 4.18 4.05 1cl1A1 ILE 364 HB -0.20 0.01 0.14 -0.04 1.89 1.80 1cl1A1 ILE 364 HG12 -0.28 0.01 -0.02 -0.04 1.49 1.16 1cl1A1 ILE 364 HG13 -0.22 -0.04 0.02 -0.04 1.21 0.93 1cl1A1 ILE 364 HG23 -0.59 -0.05 -0.05 -0.04 0.93 0.19 1cl1A1 ILE 364 HD13 -0.03 0.03 -0.25 -0.04 0.88 0.59 1cl1A1 ASP 365 H 0.04 0.11 0.10 -0.55 8.40 8.11 1cl1A1 ASP 365 HA -0.03 0.27 0.93 -0.75 4.63 5.05 1cl1A1 ASP 365 HB2 0.04 0.02 0.15 -0.04 2.71 2.88 1cl1A1 ASP 365 HB3 0.03 0.04 -0.12 -0.04 2.70 2.61 1cl1A1 PHE 366 H -0.34 0.26 -0.05 -0.55 8.34 7.66 1cl1A1 PHE 366 HA -0.02 0.17 0.64 -0.75 4.62 4.66 1cl1A1 PHE 366 HB2 -0.02 -0.03 0.07 -0.04 3.15 3.13 1cl1A1 PHE 366 HB3 -0.02 0.10 -0.16 -0.04 3.06 2.94 1cl1A1 PHE 366 HD2 -0.04 0.04 -0.20 -0.04 7.28 7.04 1cl1A1 PHE 366 HE2 -0.06 0.02 -0.08 -0.04 7.38 7.22 1cl1A1 PHE 366 HZ -0.05 -0.03 -0.10 -0.04 7.32 7.09 1cl1A1 SER 367 H 0.14 0.13 0.15 -0.55 8.46 8.33 1cl1A1 SER 367 HA -0.09 0.18 0.96 -0.75 4.49 4.77 1cl1A1 SER 367 HB2 -0.02 -0.02 0.08 -0.04 3.95 3.95 1cl1A1 SER 367 HB3 -0.04 0.02 -0.08 -0.04 3.93 3.80 1cl1A1 GLY 368 H 0.18 -0.05 0.07 -0.55 8.43 8.09 1cl1A1 GLY 368 HA2 0.03 0.02 0.29 -0.51 4.01 3.85 1cl1A1 GLY 368 HA3 0.05 0.43 0.11 -0.51 4.01 4.09 1cl1A1 THR 369 H -0.01 0.34 0.20 -0.55 8.28 8.27 1cl1A1 THR 369 HA 0.00 0.05 0.61 -0.75 4.39 4.30 1cl1A1 THR 369 HB -0.08 0.04 0.20 -0.04 4.32 4.44 1cl1A1 THR 369 HG23 -0.07 0.02 -0.11 -0.04 1.22 1.01 1cl1A1 LEU 370 H -0.03 0.58 0.38 -0.55 8.37 8.75 1cl1A1 LEU 370 HA -0.31 0.24 1.07 -0.75 4.35 4.59 1cl1A1 LEU 370 HB2 -0.44 0.00 0.00 -0.04 1.64 1.16 1cl1A1 LEU 370 HB3 -0.10 -0.01 0.13 -0.04 1.64 1.62 1cl1A1 LEU 370 HG -0.33 0.13 -0.06 -0.04 1.64 1.33 1cl1A1 LEU 370 HD13 -0.41 0.00 -0.16 -0.04 0.93 0.32 1cl1A1 LEU 370 HD23 -0.15 -0.02 -0.35 -0.04 0.89 0.33 1cl1A1 ILE 371 H -0.60 0.79 0.40 -0.55 8.25 8.29 1cl1A1 ILE 371 HA -0.29 0.21 1.12 -0.75 4.18 4.46 1cl1A1 ILE 371 HB -1.87 -0.01 0.14 -0.04 1.89 0.11 1cl1A1 ILE 371 HG12 -0.46 -0.02 -0.26 -0.04 1.49 0.71 1cl1A1 ILE 371 HG13 -0.29 0.02 -0.10 -0.04 1.21 0.80 1cl1A1 ILE 371 HG23 -0.23 0.00 -0.15 -0.04 0.93 0.51 1cl1A1 ILE 371 HD13 -0.04 0.01 -0.12 -0.04 0.88 0.69 1cl1A1 ARG 372 H -0.21 0.76 0.39 -0.55 8.46 8.84 1cl1A1 ARG 372 HA -0.26 0.20 1.17 -0.75 4.34 4.70 1cl1A1 ARG 372 HB2 -0.14 -0.05 0.04 -0.04 1.90 1.71 1cl1A1 ARG 372 HB3 -0.11 -0.06 0.12 -0.04 1.80 1.71 1cl1A1 ARG 372 HG2 -0.19 0.07 -0.16 -0.04 1.67 1.35 1cl1A1 ARG 372 HG3 -0.19 0.11 0.01 -0.04 1.67 1.55 1cl1A1 ARG 372 HD2 -0.24 -0.08 -0.05 -0.04 3.22 2.82 1cl1A1 ARG 372 HD3 -0.09 -0.06 -0.02 -0.04 3.22 3.01 1cl1A1 LEU 373 H -0.36 0.77 0.43 -0.55 8.37 8.66 1cl1A1 LEU 373 HA -0.09 0.35 1.20 -0.75 4.35 5.06 1cl1A1 LEU 373 HB2 -0.62 -0.01 0.03 -0.04 1.64 1.00 1cl1A1 LEU 373 HB3 -0.01 0.01 -0.03 -0.04 1.64 1.56 1cl1A1 LEU 373 HG -0.08 -0.01 -0.24 -0.04 1.64 1.27 1cl1A1 LEU 373 HD13 -0.05 -0.01 -0.13 -0.04 0.93 0.71 1cl1A1 LEU 373 HD23 -0.33 0.02 -0.11 -0.04 0.89 0.43 1cl1A1 HIS 374 H 0.13 0.66 0.36 -0.55 8.41 9.02 1cl1A1 HIS 374 HA 0.01 0.23 0.96 -0.75 4.63 5.07 1cl1A1 HIS 374 HB2 0.03 -0.00 0.08 -0.04 3.26 3.33 1cl1A1 HIS 374 HB3 0.05 -0.05 0.24 -0.04 3.20 3.40 1cl1A1 HIS 374 HD2 0.10 -0.02 -0.09 -0.04 6.97 6.91 1cl1A1 HIS 374 HE1 0.06 0.48 -0.18 -0.04 7.75 8.07 1cl1A1 ILE 375 H -0.17 0.70 0.18 -0.55 8.25 8.41 1cl1A1 ILE 375 HA -0.00 -0.01 0.78 -0.75 4.18 4.19 1cl1A1 ILE 375 HB 0.12 0.05 0.23 -0.04 1.89 2.25 1cl1A1 ILE 375 HG12 0.36 0.10 -0.04 -0.04 1.49 1.87 1cl1A1 ILE 375 HG13 0.40 -0.02 -0.03 -0.04 1.21 1.51 1cl1A1 ILE 375 HG23 0.09 0.03 -0.19 -0.04 0.93 0.81 1cl1A1 ILE 375 HD13 0.32 -0.01 -0.16 -0.04 0.88 1.00 1cl1A1 GLY 376 H -0.08 0.02 -0.05 -0.55 8.43 7.77 1cl1A1 GLY 376 HA2 0.26 0.23 0.25 -0.51 4.01 4.25 1cl1A1 GLY 376 HA3 0.08 -0.10 -0.14 -0.51 4.01 3.34 1cl1A1 LEU 377 H 0.10 0.76 0.23 -0.55 8.37 8.91 1cl1A1 LEU 377 HA -0.06 0.21 0.68 -0.75 4.35 4.43 1cl1A1 LEU 377 HB2 0.05 0.04 0.16 -0.04 1.64 1.85 1cl1A1 LEU 377 HB3 -0.03 -0.03 0.19 -0.04 1.64 1.73 1cl1A1 LEU 377 HG 0.06 -0.01 0.02 -0.04 1.64 1.67 1cl1A1 LEU 377 HD13 0.02 -0.01 0.04 -0.04 0.93 0.93 1cl1A1 LEU 377 HD23 -0.33 0.03 -0.08 -0.04 0.89 0.47 1cl1A1 GLU 378 H -0.01 -0.01 -0.24 -0.55 8.60 7.78 1cl1A1 GLU 378 HA -0.02 0.11 0.42 -0.75 4.29 4.05 1cl1A1 GLU 378 HB2 -0.08 -0.01 -0.10 -0.04 2.09 1.86 1cl1A1 GLU 378 HB3 -0.05 -0.05 0.08 -0.04 1.99 1.94 1cl1A1 GLU 378 HG2 -0.06 0.06 0.04 -0.04 2.34 2.34 1cl1A1 GLU 378 HG3 -0.01 0.05 0.04 -0.04 2.34 2.39 1cl1A1 ASP 379 H -0.03 0.11 0.14 -0.55 8.40 8.07 1cl1A1 ASP 379 HA -0.02 0.15 0.48 -0.75 4.63 4.48 1cl1A1 ASP 379 HB2 -0.02 0.12 0.16 -0.04 2.71 2.93 1cl1A1 ASP 379 HB3 -0.03 -0.09 0.17 -0.04 2.70 2.71 1cl1A1 VAL 380 H -0.02 0.25 0.20 -0.55 8.24 8.12 1cl1A1 VAL 380 HA -0.02 0.09 0.30 -0.75 4.13 3.75 1cl1A1 VAL 380 HB -0.01 0.11 0.15 -0.04 2.12 2.33 1cl1A1 VAL 380 HG13 -0.03 0.01 0.01 -0.04 0.97 0.93 1cl1A1 VAL 380 HG23 -0.01 0.02 0.03 -0.04 0.95 0.94 1cl1A1 ASP 381 H -0.04 0.11 -0.21 -0.55 8.40 7.71 1cl1A1 ASP 381 HA -0.11 0.12 0.40 -0.75 4.63 4.28 1cl1A1 ASP 381 HB2 -0.04 -0.01 0.04 -0.04 2.71 2.66 1cl1A1 ASP 381 HB3 -0.06 0.06 0.03 -0.04 2.70 2.69 1cl1A1 ASP 382 H -0.04 0.18 -0.29 -0.55 8.40 7.70 1cl1A1 ASP 382 HA -0.03 0.09 0.42 -0.75 4.63 4.36 1cl1A1 ASP 382 HB2 -0.03 0.14 0.11 -0.04 2.71 2.88 1cl1A1 ASP 382 HB3 -0.02 0.02 -0.02 -0.04 2.70 2.63 1cl1A1 LEU 383 H -0.03 0.36 -0.29 -0.55 8.37 7.87 1cl1A1 LEU 383 HA 0.10 0.02 0.45 -0.75 4.35 4.16 1cl1A1 LEU 383 HB2 0.03 0.15 0.09 -0.04 1.64 1.86 1cl1A1 LEU 383 HB3 0.19 -0.01 -0.03 -0.04 1.64 1.75 1cl1A1 LEU 383 HG -0.07 0.13 -0.19 -0.04 1.64 1.47 1cl1A1 LEU 383 HD13 -0.06 -0.01 -0.15 -0.04 0.93 0.66 1cl1A1 LEU 383 HD23 -0.42 -0.02 -0.09 -0.04 0.89 0.32 1cl1A1 ILE 384 H -0.11 0.56 -0.10 -0.55 8.25 8.05 1cl1A1 ILE 384 HA -0.46 0.04 0.38 -0.75 4.18 3.38 1cl1A1 ILE 384 HB -0.35 0.06 0.15 -0.04 1.89 1.70 1cl1A1 ILE 384 HG12 -0.62 -0.01 0.01 -0.04 1.49 0.84 1cl1A1 ILE 384 HG13 -0.22 0.06 0.03 -0.04 1.21 1.04 1cl1A1 ILE 384 HG23 -1.41 0.00 -0.11 -0.04 0.93 -0.63 1cl1A1 ILE 384 HD13 -0.30 -0.01 -0.12 -0.04 0.88 0.41 1cl1A1 ALA 385 H -0.13 0.50 -0.22 -0.55 8.40 8.00 1cl1A1 ALA 385 HA -0.06 0.03 0.36 -0.75 4.34 3.92 1cl1A1 ALA 385 HB3 -0.03 0.04 0.11 -0.04 1.41 1.49 1cl1A1 ASP 386 H 0.03 0.40 -0.34 -0.55 8.40 7.94 1cl1A1 ASP 386 HA 0.00 0.05 0.43 -0.75 4.63 4.36 1cl1A1 ASP 386 HB2 0.15 0.16 0.20 -0.04 2.71 3.18 1cl1A1 ASP 386 HB3 0.41 0.11 0.13 -0.04 2.70 3.32 1cl1A1 LEU 387 H 0.08 0.51 -0.13 -0.55 8.37 8.27 1cl1A1 LEU 387 HA 0.12 0.03 0.45 -0.75 4.35 4.20 1cl1A1 LEU 387 HB2 -0.03 0.11 0.17 -0.04 1.64 1.85 1cl1A1 LEU 387 HB3 0.21 -0.02 -0.02 -0.04 1.64 1.76 1cl1A1 LEU 387 HG 0.02 0.06 0.01 -0.04 1.64 1.69 1cl1A1 LEU 387 HD13 0.08 -0.01 -0.10 -0.04 0.93 0.85 1cl1A1 LEU 387 HD23 -0.30 -0.01 -0.06 -0.04 0.89 0.49 1cl1A1 ASP 388 H 0.07 0.70 -0.08 -0.55 8.40 8.55 1cl1A1 ASP 388 HA 0.68 -0.01 0.34 -0.75 4.63 4.89 1cl1A1 ASP 388 HB2 0.17 0.14 0.12 -0.04 2.71 3.10 1cl1A1 ASP 388 HB3 0.16 0.08 0.10 -0.04 2.70 3.00 1cl1A1 ALA 389 H 0.04 0.52 -0.24 -0.55 8.40 8.18 1cl1A1 ALA 389 HA 0.05 -0.01 0.38 -0.75 4.34 4.00 1cl1A1 ALA 389 HB3 -0.06 0.04 0.11 -0.04 1.41 1.45 1cl1A1 GLY 390 H -0.17 0.35 -0.34 -0.55 8.43 7.73 1cl1A1 GLY 390 HA2 -0.30 0.09 0.41 -0.51 4.01 3.70 1cl1A1 GLY 390 HA3 -0.39 0.03 0.31 -0.51 4.01 3.45 1cl1A1 PHE 391 H 0.05 0.59 -0.09 -0.55 8.34 8.33 1cl1A1 PHE 391 HA 0.11 0.00 0.37 -0.75 4.62 4.35 1cl1A1 PHE 391 HB2 0.09 0.18 0.14 -0.04 3.15 3.52 1cl1A1 PHE 391 HB3 0.12 -0.05 -0.05 -0.04 3.06 3.04 1cl1A1 PHE 391 HD2 -0.11 0.00 -0.07 -0.04 7.28 7.06 1cl1A1 PHE 391 HE2 -0.22 -0.01 -0.12 -0.04 7.38 6.98 1cl1A1 PHE 391 HZ -0.40 -0.00 -0.12 -0.04 7.32 6.76 1cl1A1 ALA 392 H 0.22 0.47 -0.25 -0.55 8.40 8.29 1cl1A1 ALA 392 HA 0.13 -0.02 0.35 -0.75 4.34 4.04 1cl1A1 ALA 392 HB3 0.09 0.04 0.10 -0.04 1.41 1.61 1cl1A1 ARG 393 H 0.10 0.37 -0.56 -0.55 8.46 7.81 1cl1A1 ARG 393 HA 0.05 0.00 0.40 -0.75 4.34 4.03 1cl1A1 ARG 393 HB2 0.01 0.11 0.17 -0.04 1.90 2.16 1cl1A1 ARG 393 HB3 0.11 0.00 -0.06 -0.04 1.80 1.82 1cl1A1 ARG 393 HG2 0.03 -0.03 -0.08 -0.04 1.67 1.55 1cl1A1 ARG 393 HG3 0.02 -0.09 0.06 -0.04 1.67 1.61 1cl1A1 ARG 393 HD2 -0.04 -0.06 0.03 -0.04 3.22 3.10 1cl1A1 ARG 393 HD3 -0.06 -0.03 -0.01 -0.04 3.22 3.08 1cl1A1 ILE 394 H 0.13 0.44 -0.34 -0.55 8.25 7.94 1cl1A1 ILE 394 HA 0.05 0.17 0.97 -0.75 4.18 4.61 1cl1A1 ILE 394 HB -0.00 -0.10 0.17 -0.04 1.89 1.91 1cl1A1 ILE 394 HG12 0.12 0.16 0.10 -0.04 1.49 1.83 1cl1A1 ILE 394 HG13 0.12 0.08 -0.10 -0.04 1.21 1.26 1cl1A1 ILE 394 HG23 0.03 -0.02 -0.11 -0.04 0.93 0.79 1cl1A1 ILE 394 HD13 -0.23 -0.05 -0.03 -0.04 0.88 0.52 1cl1A1 VAL 395 H 0.08 0.32 -0.41 -0.55 8.24 7.67 1cl1A1 VAL 395 HA 0.05 0.10 0.45 -0.75 4.13 3.96 1cl1A1 VAL 395 HB 0.05 0.09 0.09 -0.04 2.12 2.31 1cl1A1 VAL 395 HG13 0.02 -0.02 0.02 -0.04 0.97 0.95 1cl1A1 VAL 395 HG23 0.11 0.06 -0.06 -0.04 0.95 1.01