============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. PHE 2 1.000 -5.174 26.324 25.236 -99.200 -91.000 HIS 6 0.900 2.037 36.392 19.892 -99.200 -91.000 PHE 27 1.000 6.967 26.070 34.326 -99.200 -91.000 TYR 54 0.840 -3.293 63.604 27.570 -99.200 -91.000 TYR 59 0.840 6.522 59.191 26.236 -99.200 -91.000 PHE 60 1.000 15.535 65.643 28.410 -99.200 -91.000 HIS 61 0.900 12.871 64.422 33.256 -99.200 -91.000 HIS 63 0.900 12.488 58.635 24.384 -99.200 -91.000 HIS 69 0.900 21.207 50.179 31.005 -99.200 -91.000 HIS 70 0.900 21.287 50.343 26.492 -99.200 -91.000 TRP 76 1.040 22.300 57.870 18.485 -99.200 -91.000 TRP6 76 1.020 24.293 56.599 18.693 -99.200 -91.000 PHE 88 1.000 2.645 45.456 14.927 -99.200 -91.000 PHE 106 1.000 6.677 38.374 19.120 -99.200 -91.000 TYR 109 0.840 10.527 39.362 14.724 -99.200 -91.000 TRP 123 1.040 18.195 31.428 6.657 -99.200 -91.000 TRP6 123 1.020 19.165 30.694 4.635 -99.200 -91.000 TRP 131 1.040 15.092 23.286 15.301 -99.200 -91.000 TRP6 131 1.020 13.836 23.503 13.311 -99.200 -91.000 PHE 149 1.000 12.297 43.236 10.373 -99.200 -91.000 PHE 186 1.000 12.692 36.430 25.680 -99.200 -91.000 PHE 189 1.000 15.537 36.974 31.308 -99.200 -91.000 HIS 192 0.900 29.895 36.760 31.771 -99.200 -91.000 PHE 196 1.000 25.937 43.219 16.536 -99.200 -91.000 HIS 205 0.900 24.512 48.566 8.783 -99.200 -91.000 TRP 207 1.040 17.125 50.407 11.984 -99.200 -91.000 TRP6 207 1.020 16.014 52.419 12.546 -99.200 -91.000 PHE 215 1.000 17.172 41.047 33.714 -99.200 -91.000 TYR 216 0.840 14.907 45.376 34.449 -99.200 -91.000 TYR 225 0.840 15.487 50.271 25.517 -99.200 -91.000 TRP 244 1.040 0.131 62.538 24.709 -99.200 -91.000 TRP6 244 1.020 -1.678 63.306 23.394 -99.200 -91.000 TRP 263 1.040 14.626 42.210 38.603 -99.200 -91.000 TRP6 263 1.020 12.725 41.193 39.600 -99.200 -91.000 TRP 268 1.040 22.091 38.802 34.821 -99.200 -91.000 TRP6 268 1.020 22.925 40.937 35.414 -99.200 -91.000 HIS 269 0.900 23.072 32.772 42.893 -99.200 -91.000 TRP 270 1.040 15.711 31.703 38.597 -99.200 -91.000 TRP6 270 1.020 15.085 32.697 36.547 -99.200 -91.000 PHE 278 1.000 12.748 23.641 33.681 -99.200 -91.000 TYR 279 0.840 20.362 21.793 28.477 -99.200 -91.000 TYR 291 0.840 15.932 21.578 19.625 -99.200 -91.000 TYR 297 0.840 13.240 31.781 25.290 -99.200 -91.000 TYR 326 0.840 6.774 30.087 17.575 -99.200 -91.000 TYR 333 0.840 10.128 20.848 16.839 -99.200 -91.000 TYR 334 0.840 4.323 20.099 22.933 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1lc5A1 LEU 3 HA -0.24 0.00 0.19 -0.75 4.35 3.55 1lc5A1 LEU 3 HB2 -0.25 -0.06 0.05 -0.04 1.64 1.34 1lc5A1 LEU 3 HB3 -0.92 -0.04 -0.07 -0.04 1.64 0.57 1lc5A1 LEU 3 HG -0.23 -0.00 0.01 -0.04 1.64 1.37 1lc5A1 LEU 3 HD13 -0.39 -0.02 -0.13 -0.04 0.93 0.35 1lc5A1 LEU 3 HD23 -0.48 0.01 -0.02 -0.04 0.89 0.36 1lc5A1 PHE 4 H -0.06 0.20 0.13 -0.55 8.34 8.06 1lc5A1 PHE 4 HA 0.01 0.20 0.92 -0.75 4.62 5.00 1lc5A1 PHE 4 HB2 0.02 0.03 0.01 -0.04 3.15 3.17 1lc5A1 PHE 4 HB3 0.01 -0.21 0.09 -0.04 3.06 2.91 1lc5A1 PHE 4 HD2 0.03 0.01 -0.04 -0.04 7.28 7.25 1lc5A1 PHE 4 HE2 0.04 0.06 -0.14 -0.04 7.38 7.30 1lc5A1 PHE 4 HZ 0.04 0.03 -0.05 -0.04 7.32 7.29 1lc5A1 ASN 5 H 0.16 0.09 0.15 -0.55 8.53 8.39 1lc5A1 ASN 5 HA 0.04 0.24 0.80 -0.75 4.76 5.09 1lc5A1 THR 6 H 0.09 -0.04 -0.00 -0.55 8.28 7.77 1lc5A1 THR 6 HA -0.03 0.04 0.43 -0.75 4.39 4.07 1lc5A1 THR 6 HB -0.06 -0.01 0.11 -0.04 4.32 4.32 1lc5A1 THR 6 HG23 -0.06 -0.02 -0.01 -0.04 1.22 1.09 1lc5A1 ALA 7 H -0.11 0.07 0.18 -0.55 8.40 8.00 1lc5A1 ALA 7 HA -0.27 0.19 0.52 -0.75 4.34 4.04 1lc5A1 ALA 7 HB3 -0.38 -0.01 0.10 -0.04 1.41 1.08 1lc5A1 HIS 8 H -0.06 0.07 -0.02 -0.55 8.41 7.86 1lc5A1 HIS 8 HA -0.00 0.20 0.87 -0.75 4.63 4.94 1lc5A1 HIS 8 HB2 0.02 0.02 -0.01 -0.04 3.26 3.26 1lc5A1 HIS 8 HB3 0.08 -0.02 0.05 -0.04 3.20 3.27 1lc5A1 HIS 8 HD2 -0.02 0.03 -0.07 -0.04 6.97 6.87 1lc5A1 HIS 8 HE1 -0.62 -0.22 0.02 -0.04 7.75 6.89 1lc5A1 GLY 9 H 0.18 0.09 0.10 -0.55 8.43 8.26 1lc5A1 GLY 9 HA2 0.06 0.05 0.38 -0.51 4.01 3.98 1lc5A1 GLY 9 HA3 0.10 0.39 0.31 -0.51 4.01 4.30 1lc5A1 GLY 10 H 0.04 0.09 -0.12 -0.55 8.43 7.90 1lc5A1 GLY 10 HA2 0.02 -0.01 0.22 -0.51 4.01 3.73 1lc5A1 GLY 10 HA3 0.03 0.16 0.53 -0.51 4.01 4.23 1lc5A1 ASN 11 H -0.05 0.11 -0.21 -0.55 8.53 7.83 1lc5A1 ASN 11 HA -0.07 0.11 0.45 -0.75 4.76 4.50 1lc5A1 ASN 11 HB2 -0.23 -0.07 0.15 -0.04 2.88 2.69 1lc5A1 ASN 11 HB3 -0.12 0.14 0.03 -0.04 2.79 2.79 1lc5A1 ASN 11 HD21 -1.32 0.06 -0.02 -0.04 7.03 5.72 1lc5A1 ASN 11 HD22 -0.82 -0.04 0.03 -0.04 7.74 6.87 1lc5A1 ILE 12 H -0.03 0.56 -0.12 -0.55 8.25 8.10 1lc5A1 ILE 12 HA -0.03 0.09 0.33 -0.75 4.18 3.81 1lc5A1 ILE 12 HB 0.00 0.11 0.06 -0.04 1.89 2.03 1lc5A1 ILE 12 HG12 -0.01 0.11 0.11 -0.04 1.49 1.66 1lc5A1 ILE 12 HG13 -0.01 -0.06 -0.02 -0.04 1.21 1.09 1lc5A1 ILE 12 HG23 0.01 -0.00 -0.08 -0.04 0.93 0.82 1lc5A1 ILE 12 HD13 0.00 0.01 -0.06 -0.04 0.88 0.80 1lc5A1 ARG 13 H -0.03 0.09 -0.12 -0.55 8.46 7.85 1lc5A1 ARG 13 HA -0.00 0.10 0.45 -0.75 4.34 4.13 1lc5A1 ARG 13 HB2 -0.01 -0.01 0.11 -0.04 1.90 1.95 1lc5A1 ARG 13 HB3 -0.02 -0.00 0.04 -0.04 1.80 1.78 1lc5A1 ARG 13 HG2 0.00 0.02 0.07 -0.04 1.67 1.72 1lc5A1 ARG 13 HG3 -0.00 0.01 0.02 -0.04 1.67 1.66 1lc5A1 ARG 13 HD2 0.00 0.01 -0.18 -0.04 3.22 3.01 1lc5A1 ARG 13 HD3 0.00 0.03 -0.03 -0.04 3.22 3.18 1lc5A1 GLU 14 H -0.08 0.03 -0.19 -0.55 8.60 7.81 1lc5A1 GLU 14 HA 0.01 0.07 0.40 -0.75 4.29 4.02 1lc5A1 GLU 14 HB2 -0.08 -0.07 0.09 -0.04 2.09 1.99 1lc5A1 GLU 14 HB3 -0.30 0.13 0.10 -0.04 1.99 1.88 1lc5A1 GLU 14 HG2 0.13 0.06 -0.18 -0.04 2.34 2.31 1lc5A1 GLU 14 HG3 0.07 0.02 0.04 -0.04 2.34 2.43 1lc5A1 PRO 15 HA 0.33 0.08 0.41 -0.51 4.44 4.76 1lc5A1 ALA 16 H 0.02 0.59 -0.21 -0.55 8.40 8.25 1lc5A1 ALA 16 HA 0.05 0.01 0.31 -0.75 4.34 3.95 1lc5A1 ALA 16 HB3 0.02 0.07 -0.09 -0.04 1.41 1.38 1lc5A1 THR 17 H 0.05 0.39 -0.31 -0.55 8.28 7.85 1lc5A1 THR 17 HA 0.04 0.04 0.39 -0.75 4.39 4.10 1lc5A1 THR 17 HB 0.04 -0.04 0.07 -0.04 4.32 4.34 1lc5A1 THR 17 HG23 0.02 0.13 0.07 -0.04 1.22 1.41 1lc5A1 VAL 18 H 0.12 0.31 -0.31 -0.55 8.24 7.80 1lc5A1 VAL 18 HA 0.06 0.02 0.40 -0.75 4.13 3.85 1lc5A1 VAL 18 HB 0.16 0.15 0.14 -0.04 2.12 2.53 1lc5A1 VAL 18 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.83 1lc5A1 VAL 18 HG23 0.17 0.03 0.04 -0.04 0.95 1.15 1lc5A1 LEU 19 H 0.07 0.29 -0.20 -0.55 8.37 7.99 1lc5A1 LEU 19 HA 0.03 0.09 0.53 -0.75 4.35 4.25 1lc5A1 LEU 19 HB2 0.05 -0.02 0.05 -0.04 1.64 1.68 1lc5A1 LEU 19 HB3 0.04 -0.03 -0.02 -0.04 1.64 1.58 1lc5A1 LEU 19 HG 0.07 0.00 -0.05 -0.04 1.64 1.63 1lc5A1 LEU 19 HD13 0.05 0.03 -0.05 -0.04 0.93 0.92 1lc5A1 LEU 19 HD23 0.03 0.01 -0.11 -0.04 0.89 0.78 1lc5A1 GLY 20 H 0.04 0.34 -0.24 -0.55 8.43 8.02 1lc5A1 GLY 20 HA2 0.02 -0.01 0.30 -0.51 4.01 3.81 1lc5A1 GLY 20 HA3 0.02 0.05 0.52 -0.51 4.01 4.10 1lc5A1 ILE 21 H 0.03 0.33 -0.00 -0.55 8.25 8.06 1lc5A1 ILE 21 HA 0.02 0.21 0.85 -0.75 4.18 4.51 1lc5A1 ILE 21 HB 0.02 -0.16 0.14 -0.04 1.89 1.84 1lc5A1 ILE 21 HG12 0.04 -0.01 -0.09 -0.04 1.49 1.38 1lc5A1 ILE 21 HG13 0.03 0.03 -0.34 -0.04 1.21 0.90 1lc5A1 ILE 21 HG23 0.02 0.04 -0.25 -0.04 0.93 0.70 1lc5A1 ILE 21 HD13 0.03 0.00 -0.11 -0.04 0.88 0.76 1lc5A1 SER 22 H 0.02 0.13 0.11 -0.55 8.46 8.18 1lc5A1 SER 22 HA 0.01 0.21 0.66 -0.75 4.49 4.62 1lc5A1 SER 22 HB2 0.01 0.07 0.08 -0.04 3.95 4.07 1lc5A1 SER 22 HB3 0.01 -0.01 0.10 -0.04 3.93 3.99 1lc5A1 PRO 23 HA 0.02 0.14 0.39 -0.51 4.44 4.48 1lc5A1 PRO 23 HB2 0.00 0.02 -0.04 -0.04 2.28 2.22 1lc5A1 PRO 23 HB3 0.00 -0.07 -0.18 -0.04 2.02 1.73 1lc5A1 PRO 23 HG2 0.00 0.02 0.06 -0.04 2.03 2.08 1lc5A1 PRO 23 HG3 0.01 0.11 0.09 -0.04 2.03 2.20 1lc5A1 PRO 23 HD2 0.01 0.06 0.20 -0.04 3.68 3.91 1lc5A1 PRO 23 HD3 0.01 0.27 0.26 -0.04 3.65 4.15 1lc5A1 ASP 24 H 0.01 0.09 -0.30 -0.55 8.40 7.66 1lc5A1 ASP 24 HA 0.01 0.13 0.51 -0.75 4.63 4.52 1lc5A1 ASP 24 HB2 0.00 0.04 0.12 -0.04 2.71 2.84 1lc5A1 ASP 24 HB3 0.00 -0.03 0.06 -0.04 2.70 2.69 1lc5A1 GLN 25 H 0.02 0.41 -0.51 -0.55 8.47 7.85 1lc5A1 GLN 25 HA 0.02 0.12 0.67 -0.75 4.36 4.42 1lc5A1 GLN 25 HB2 0.02 0.14 0.05 -0.04 2.15 2.33 1lc5A1 GLN 25 HB3 0.02 0.02 0.10 -0.04 2.02 2.11 1lc5A1 GLN 25 HG2 0.01 0.03 -0.04 -0.04 2.40 2.37 1lc5A1 GLN 25 HG3 0.01 -0.14 -0.07 -0.04 2.39 2.15 1lc5A1 GLN 25 HE21 0.01 0.02 0.02 -0.04 6.97 6.98 1lc5A1 GLN 25 HE22 0.01 0.02 0.01 -0.04 7.69 7.69 1lc5A1 LEU 26 H 0.03 0.24 -0.24 -0.55 8.37 7.85 1lc5A1 LEU 26 HA 0.05 0.27 0.74 -0.75 4.35 4.66 1lc5A1 LEU 26 HB2 0.04 0.03 0.07 -0.04 1.64 1.74 1lc5A1 LEU 26 HB3 0.06 -0.07 -0.14 -0.04 1.64 1.45 1lc5A1 LEU 26 HG 0.04 -0.00 -0.08 -0.04 1.64 1.56 1lc5A1 LEU 26 HD13 0.04 -0.04 -0.10 -0.04 0.93 0.79 1lc5A1 LEU 26 HD23 0.06 0.03 -0.18 -0.04 0.89 0.76 1lc5A1 LEU 27 H 0.09 0.85 0.34 -0.55 8.37 9.11 1lc5A1 LEU 27 HA 0.05 0.07 0.74 -0.75 4.35 4.46 1lc5A1 LEU 27 HB2 0.10 0.06 0.07 -0.04 1.64 1.83 1lc5A1 LEU 27 HB3 0.17 0.08 0.22 -0.04 1.64 2.07 1lc5A1 LEU 27 HG 0.40 -0.06 -0.19 -0.04 1.64 1.75 1lc5A1 LEU 27 HD13 0.00 -0.03 0.02 -0.04 0.93 0.89 1lc5A1 LEU 27 HD23 0.24 -0.01 0.01 -0.04 0.89 1.10 1lc5A1 ASP 28 H 0.01 0.23 0.06 -0.55 8.40 8.15 1lc5A1 ASP 28 HA 0.12 0.07 0.75 -0.75 4.63 4.82 1lc5A1 ASP 28 HB2 0.03 0.10 0.01 -0.04 2.71 2.80 1lc5A1 ASP 28 HB3 -0.01 0.05 0.17 -0.04 2.70 2.88 1lc5A1 PHE 29 H 0.30 0.77 0.41 -0.55 8.34 9.26 1lc5A1 PHE 29 HA 0.09 0.19 0.87 -0.75 4.62 5.01 1lc5A1 PHE 29 HB2 0.10 0.17 0.08 -0.04 3.15 3.46 1lc5A1 PHE 29 HB3 0.13 -0.14 0.30 -0.04 3.06 3.32 1lc5A1 PHE 29 HD2 0.13 0.11 -0.09 -0.04 7.28 7.39 1lc5A1 PHE 29 HE2 -0.05 0.01 -0.11 -0.04 7.38 7.18 1lc5A1 PHE 29 HZ -0.06 -0.11 -0.56 -0.04 7.32 6.55 1lc5A1 SER 30 H 0.12 0.01 -0.09 -0.55 8.46 7.96 1lc5A1 SER 30 HA 0.16 0.28 0.80 -0.75 4.49 4.97 1lc5A1 SER 30 HB2 0.12 0.02 -0.12 -0.04 3.95 3.92 1lc5A1 SER 30 HB3 0.14 0.12 -0.51 -0.04 3.93 3.64 1lc5A1 ALA 31 H 0.07 0.29 -0.11 -0.55 8.40 8.10 1lc5A1 ALA 31 HA 0.08 0.10 0.60 -0.75 4.34 4.37 1lc5A1 ALA 31 HB3 0.05 0.01 -0.11 -0.04 1.41 1.32 1lc5A1 ASN 32 H 0.12 0.11 -0.07 -0.55 8.53 8.15 1lc5A1 ASN 32 HA 0.12 0.29 0.82 -0.75 4.76 5.23 1lc5A1 ASN 32 HB2 0.29 -0.10 0.11 -0.04 2.88 3.13 1lc5A1 ASN 32 HB3 0.23 0.11 0.00 -0.04 2.79 3.09 1lc5A1 ASN 32 HD21 -0.28 0.05 -0.22 -0.04 7.03 6.54 1lc5A1 ASN 32 HD22 -0.32 -0.07 -0.12 -0.04 7.74 7.19 1lc5A1 ILE 33 H 0.07 0.33 -0.09 -0.55 8.25 8.02 1lc5A1 ILE 33 HA 0.19 0.10 1.02 -0.75 4.18 4.74 1lc5A1 ILE 33 HB 0.04 0.05 0.02 -0.04 1.89 1.95 1lc5A1 ILE 33 HG12 0.06 -0.11 -0.28 -0.04 1.49 1.13 1lc5A1 ILE 33 HG13 0.05 0.02 -0.08 -0.04 1.21 1.16 1lc5A1 ILE 33 HG23 0.08 0.08 0.06 -0.04 0.93 1.11 1lc5A1 ILE 33 HD13 0.09 0.03 -0.25 -0.04 0.88 0.71 1lc5A1 ASN 34 H 0.25 0.54 0.30 -0.55 8.53 9.07 1lc5A1 ASN 34 HA -0.02 0.07 0.45 -0.75 4.76 4.51 1lc5A1 ASN 34 HB2 0.17 0.13 0.25 -0.04 2.88 3.40 1lc5A1 ASN 34 HB3 0.22 -0.07 0.06 -0.04 2.79 2.96 1lc5A1 ASN 34 HD21 -1.07 -0.07 0.05 -0.04 7.03 5.89 1lc5A1 ASN 34 HD22 -0.58 0.28 0.17 -0.04 7.74 7.56 1lc5A1 PRO 35 HA -0.17 0.17 0.61 -0.51 4.44 4.54 1lc5A1 PRO 35 HB2 -0.29 -0.10 0.16 -0.04 2.28 2.00 1lc5A1 PRO 35 HB3 -0.24 0.10 0.19 -0.04 2.02 2.03 1lc5A1 PRO 35 HG2 -1.08 -0.01 -0.10 -0.04 2.03 0.81 1lc5A1 PRO 35 HG3 -0.52 0.00 -0.06 -0.04 2.03 1.42 1lc5A1 PRO 35 HD2 -1.41 0.04 0.20 -0.04 3.68 2.47 1lc5A1 PRO 35 HD3 -0.37 0.30 0.28 -0.04 3.65 3.81 1lc5A1 LEU 36 H -0.50 0.12 -0.36 -0.55 8.37 7.09 1lc5A1 LEU 36 HA -0.32 0.11 0.40 -0.75 4.35 3.79 1lc5A1 LEU 36 HB2 -1.17 0.03 -0.07 -0.04 1.64 0.39 1lc5A1 LEU 36 HB3 -0.54 -0.02 0.10 -0.04 1.64 1.14 1lc5A1 LEU 36 HG -1.05 -0.02 -0.02 -0.04 1.64 0.51 1lc5A1 LEU 36 HD13 -0.76 0.03 -0.12 -0.04 0.93 0.03 1lc5A1 LEU 36 HD23 -0.60 -0.00 -0.07 -0.04 0.89 0.18 1lc5A1 GLY 37 H 0.03 0.20 -0.53 -0.55 8.43 7.60 1lc5A1 GLY 37 HA2 0.04 0.02 0.27 -0.51 4.01 3.83 1lc5A1 GLY 37 HA3 0.11 0.13 0.90 -0.51 4.01 4.64 1lc5A1 MET 38 H 0.13 0.26 0.14 -0.55 8.47 8.45 1lc5A1 MET 38 HA -0.33 0.29 0.73 -0.75 4.52 4.46 1lc5A1 MET 38 HB2 -0.07 0.04 -0.12 -0.04 2.15 1.97 1lc5A1 MET 38 HB3 -0.08 -0.07 0.03 -0.04 2.03 1.87 1lc5A1 MET 38 HG2 -0.23 0.04 -0.05 -0.04 2.63 2.34 1lc5A1 MET 38 HG3 -0.17 0.12 0.08 -0.04 2.56 2.54 1lc5A1 MET 38 HE3 -0.05 0.01 -0.02 -0.04 2.10 2.00 1lc5A1 PRO 39 HA -0.31 0.05 0.49 -0.51 4.44 4.16 1lc5A1 PRO 39 HB2 -0.42 -0.18 0.11 -0.04 2.28 1.74 1lc5A1 PRO 39 HB3 -0.52 0.01 0.17 -0.04 2.02 1.64 1lc5A1 PRO 39 HG2 -0.74 0.05 0.15 -0.04 2.03 1.45 1lc5A1 PRO 39 HG3 -3.09 0.07 0.08 -0.04 2.03 -0.94 1lc5A1 PRO 39 HD2 -0.55 0.06 0.22 -0.04 3.68 3.37 1lc5A1 PRO 39 HD3 -1.20 0.34 0.13 -0.04 3.65 2.88 1lc5A1 VAL 40 H 0.02 0.16 0.23 -0.55 8.24 8.09 1lc5A1 VAL 40 HA -0.04 0.14 0.49 -0.75 4.13 3.97 1lc5A1 VAL 40 HB 0.02 -0.05 0.13 -0.04 2.12 2.17 1lc5A1 VAL 40 HG13 -0.01 0.02 -0.03 -0.04 0.97 0.91 1lc5A1 VAL 40 HG23 0.05 0.03 0.10 -0.04 0.95 1.09 1lc5A1 SER 41 H -0.07 0.05 -0.11 -0.55 8.46 7.79 1lc5A1 SER 41 HA -0.05 0.11 0.33 -0.75 4.49 4.13 1lc5A1 SER 41 HB2 -0.08 0.08 -0.10 -0.04 3.95 3.81 1lc5A1 SER 41 HB3 -0.05 0.00 0.03 -0.04 3.93 3.88 1lc5A1 VAL 42 H -0.17 0.10 -0.47 -0.55 8.24 7.14 1lc5A1 VAL 42 HA -0.12 0.10 0.47 -0.75 4.13 3.83 1lc5A1 VAL 42 HB -0.22 0.15 0.09 -0.04 2.12 2.11 1lc5A1 VAL 42 HG13 -0.12 0.00 -0.14 -0.04 0.97 0.68 1lc5A1 VAL 42 HG23 -0.23 -0.01 0.02 -0.04 0.95 0.69 1lc5A1 LYS 43 H -0.11 0.49 -0.04 -0.55 8.42 8.20 1lc5A1 LYS 43 HA -0.07 0.03 0.33 -0.75 4.32 3.86 1lc5A1 LYS 43 HB2 -0.07 0.06 0.06 -0.04 1.87 1.88 1lc5A1 LYS 43 HB3 -0.05 0.01 0.11 -0.04 1.79 1.82 1lc5A1 LYS 43 HG2 -0.03 -0.01 -0.18 -0.04 1.46 1.19 1lc5A1 LYS 43 HG3 -0.04 -0.01 0.02 -0.04 1.46 1.39 1lc5A1 LYS 43 HD2 -0.03 -0.00 -0.02 -0.04 1.69 1.60 1lc5A1 LYS 43 HD3 -0.02 0.00 -0.03 -0.04 1.68 1.59 1lc5A1 LYS 43 HE2 -0.03 -0.00 -0.01 -0.04 2.99 2.90 1lc5A1 LYS 43 HE3 -0.04 0.02 -0.02 -0.04 2.99 2.91 1lc5A1 ARG 44 H -0.05 0.44 -0.17 -0.55 8.46 8.13 1lc5A1 ARG 44 HA -0.03 0.03 0.38 -0.75 4.34 3.96 1lc5A1 ALA 45 H -0.05 0.35 -0.25 -0.55 8.40 7.91 1lc5A1 ALA 45 HA -0.03 0.01 0.32 -0.75 4.34 3.88 1lc5A1 ALA 45 HB3 -0.05 0.02 0.05 -0.04 1.41 1.38 1lc5A1 LEU 46 H -0.05 0.60 -0.16 -0.55 8.37 8.21 1lc5A1 LEU 46 HA -0.03 -0.01 0.32 -0.75 4.35 3.87 1lc5A1 LEU 46 HB2 -0.05 0.18 0.13 -0.04 1.64 1.86 1lc5A1 LEU 46 HB3 -0.04 -0.02 -0.06 -0.04 1.64 1.48 1lc5A1 LEU 46 HG -0.03 -0.07 -0.00 -0.04 1.64 1.49 1lc5A1 LEU 46 HD13 -0.05 0.04 -0.04 -0.04 0.93 0.84 1lc5A1 LEU 46 HD23 -0.05 -0.01 -0.08 -0.04 0.89 0.72 1lc5A1 ILE 47 H -0.03 0.56 -0.11 -0.55 8.25 8.12 1lc5A1 ILE 47 HA -0.02 0.00 0.46 -0.75 4.18 3.86 1lc5A1 ILE 47 HB -0.03 0.09 0.18 -0.04 1.89 2.10 1lc5A1 ILE 47 HG12 -0.03 0.16 0.11 -0.04 1.49 1.69 1lc5A1 ILE 47 HG13 -0.02 -0.06 0.01 -0.04 1.21 1.10 1lc5A1 ILE 47 HG23 -0.02 -0.02 -0.11 -0.04 0.93 0.74 1lc5A1 ILE 47 HD13 -0.02 -0.02 0.01 -0.04 0.88 0.80 1lc5A1 ASP 48 H -0.02 0.69 -0.05 -0.55 8.40 8.47 1lc5A1 ASP 48 HA -0.02 0.05 0.46 -0.75 4.63 4.38 1lc5A1 ASP 48 HB2 -0.02 0.08 0.06 -0.04 2.71 2.78 1lc5A1 ASP 48 HB3 -0.02 -0.06 0.12 -0.04 2.70 2.71 1lc5A1 ASN 49 H -0.02 0.36 -0.54 -0.55 8.53 7.78 1lc5A1 ASN 49 HA -0.01 0.16 0.93 -0.75 4.76 5.08 1lc5A1 ASN 49 HB2 -0.02 0.15 0.04 -0.04 2.88 3.01 1lc5A1 ASN 49 HB3 -0.01 -0.12 0.16 -0.04 2.79 2.78 1lc5A1 ASN 49 HD21 -0.02 -0.07 -0.09 -0.04 7.03 6.81 1lc5A1 ASN 49 HD22 -0.02 0.49 0.06 -0.04 7.74 8.23 1lc5A1 LEU 50 H -0.02 0.36 -0.06 -0.55 8.37 8.10 1lc5A1 LEU 50 HA -0.02 0.04 0.41 -0.75 4.35 4.02 1lc5A1 LEU 50 HB2 -0.02 0.20 0.23 -0.04 1.64 2.01 1lc5A1 LEU 50 HB3 -0.02 -0.03 0.08 -0.04 1.64 1.63 1lc5A1 LEU 50 HG -0.03 -0.06 -0.01 -0.04 1.64 1.50 1lc5A1 LEU 50 HD13 -0.03 -0.01 0.05 -0.04 0.93 0.90 1lc5A1 LEU 50 HD23 -0.02 0.00 0.01 -0.04 0.89 0.84 1lc5A1 ASP 51 H -0.02 0.15 -0.32 -0.55 8.40 7.66 1lc5A1 ASP 51 HA -0.03 0.08 0.35 -0.75 4.63 4.27 1lc5A1 ASP 51 HB2 -0.02 0.04 -0.01 -0.04 2.71 2.68 1lc5A1 ASP 51 HB3 -0.02 0.01 0.09 -0.04 2.70 2.73 1lc5A1 CYS 52 H -0.02 0.61 -0.45 -0.55 8.50 8.09 1lc5A1 CYS 52 HA -0.02 0.05 0.40 -0.75 4.58 4.25 1lc5A1 CYS 52 HB2 -0.01 -0.05 0.11 -0.04 2.97 2.97 1lc5A1 CYS 52 HB3 -0.01 0.03 0.11 -0.04 2.97 3.06 1lc5A1 ILE 53 H -0.04 0.48 -0.31 -0.55 8.25 7.84 1lc5A1 ILE 53 HA -0.07 0.06 0.48 -0.75 4.18 3.90 1lc5A1 ILE 53 HB -0.07 -0.03 0.14 -0.04 1.89 1.89 1lc5A1 ILE 53 HG12 -0.04 0.25 0.10 -0.04 1.49 1.75 1lc5A1 ILE 53 HG13 -0.06 0.02 -0.25 -0.04 1.21 0.87 1lc5A1 ILE 53 HG23 -0.04 -0.01 0.07 -0.04 0.93 0.91 1lc5A1 ILE 53 HD13 -0.04 -0.03 -0.00 -0.04 0.88 0.77 1lc5A1 GLU 54 H -0.06 0.47 -0.42 -0.55 8.60 8.05 1lc5A1 GLU 54 HA -0.10 0.06 0.51 -0.75 4.29 4.00 1lc5A1 GLU 54 HB2 -0.05 0.09 0.07 -0.04 2.09 2.17 1lc5A1 GLU 54 HB3 -0.05 -0.06 0.13 -0.04 1.99 1.96 1lc5A1 GLU 54 HG2 -0.05 -0.03 0.02 -0.04 2.34 2.24 1lc5A1 GLU 54 HG3 -0.05 -0.02 0.06 -0.04 2.34 2.29 1lc5A1 ARG 55 H -0.09 0.41 -0.38 -0.55 8.46 7.85 1lc5A1 ARG 55 HA -0.10 0.12 0.88 -0.75 4.34 4.48 1lc5A1 ARG 55 HB2 -0.03 0.04 0.01 -0.04 1.90 1.88 1lc5A1 ARG 55 HB3 -0.01 0.00 0.06 -0.04 1.80 1.81 1lc5A1 ARG 55 HG2 -0.02 0.02 -0.05 -0.04 1.67 1.58 1lc5A1 ARG 55 HG3 -0.04 -0.07 -0.39 -0.04 1.67 1.13 1lc5A1 ARG 55 HD2 -0.01 -0.01 -0.02 -0.04 3.22 3.14 1lc5A1 ARG 55 HD3 -0.01 -0.02 -0.04 -0.04 3.22 3.10 1lc5A1 TYR 56 H 0.01 0.06 0.13 -0.55 8.29 7.93 1lc5A1 TYR 56 HA -0.24 0.10 0.51 -0.75 4.56 4.18 1lc5A1 TYR 56 HB2 -0.17 -0.09 0.12 -0.04 3.06 2.88 1lc5A1 TYR 56 HB3 -0.32 0.16 0.05 -0.04 2.98 2.83 1lc5A1 TYR 56 HD2 -0.88 0.00 0.07 -0.04 7.15 6.30 1lc5A1 TYR 56 HE2 -0.67 0.01 0.01 -0.04 6.85 6.16 1lc5A1 PRO 57 HA 0.01 0.05 0.48 -0.51 4.44 4.46 1lc5A1 PRO 57 HB2 -0.01 0.04 -0.12 -0.04 2.28 2.15 1lc5A1 PRO 57 HB3 0.11 -0.05 0.03 -0.04 2.02 2.08 1lc5A1 PRO 57 HG2 0.26 0.26 0.07 -0.04 2.03 2.58 1lc5A1 PRO 57 HG3 0.09 -0.13 0.11 -0.04 2.03 2.06 1lc5A1 PRO 57 HD2 0.20 0.08 0.20 -0.04 3.68 4.12 1lc5A1 PRO 57 HD3 -0.06 0.16 0.27 -0.04 3.65 3.98 1lc5A1 ASP 58 H -0.13 0.07 0.14 -0.55 8.40 7.93 1lc5A1 ASP 58 HA -0.05 0.11 0.51 -0.75 4.63 4.45 1lc5A1 ASP 58 HB2 -0.11 0.13 0.16 -0.04 2.71 2.86 1lc5A1 ASP 58 HB3 -0.20 -0.07 0.23 -0.04 2.70 2.62 1lc5A1 ALA 59 H 0.00 0.20 0.22 -0.55 8.40 8.28 1lc5A1 ALA 59 HA -0.15 0.07 0.33 -0.75 4.34 3.83 1lc5A1 ALA 59 HB3 -0.19 0.03 0.13 -0.04 1.41 1.35 1lc5A1 ASP 60 H -0.10 -0.07 -0.36 -0.55 8.40 7.33 1lc5A1 ASP 60 HA 0.11 0.30 0.70 -0.75 4.63 5.00 1lc5A1 ASP 60 HB2 0.04 -0.14 -0.00 -0.04 2.71 2.57 1lc5A1 ASP 60 HB3 0.12 0.06 0.05 -0.04 2.70 2.89 1lc5A1 TYR 61 H -0.35 0.33 -0.26 -0.55 8.29 7.47 1lc5A1 TYR 61 HA -0.07 -0.05 0.31 -0.75 4.56 4.00 1lc5A1 TYR 61 HB2 -0.55 0.23 -0.17 -0.04 3.06 2.53 1lc5A1 TYR 61 HB3 -0.49 -0.17 0.16 -0.04 2.98 2.44 1lc5A1 TYR 61 HD2 -0.02 -0.00 -0.16 -0.04 7.15 6.92 1lc5A1 TYR 61 HE2 0.06 0.03 -0.04 -0.04 6.85 6.86 1lc5A1 PHE 62 H 0.11 0.03 -0.21 -0.55 8.34 7.72 1lc5A1 PHE 62 HA 0.08 0.21 0.28 -0.75 4.62 4.44 1lc5A1 PHE 62 HB2 -0.01 0.06 0.02 -0.04 3.15 3.18 1lc5A1 PHE 62 HB3 -0.11 -0.08 0.08 -0.04 3.06 2.92 1lc5A1 PHE 62 HD2 0.08 0.00 -0.08 -0.04 7.28 7.24 1lc5A1 PHE 62 HE2 0.10 0.02 -0.04 -0.04 7.38 7.42 1lc5A1 PHE 62 HZ 0.05 0.03 -0.03 -0.04 7.32 7.33 1lc5A1 HIS 63 H 0.08 0.07 -0.08 -0.55 8.41 7.94 1lc5A1 HIS 63 HA -0.21 0.11 0.41 -0.75 4.63 4.19 1lc5A1 HIS 63 HB2 0.02 -0.06 0.07 -0.04 3.26 3.26 1lc5A1 HIS 63 HB3 -0.02 0.09 -0.03 -0.04 3.20 3.20 1lc5A1 HIS 63 HD2 0.04 0.03 -0.00 -0.04 6.97 6.99 1lc5A1 HIS 63 HE1 0.17 0.03 -0.01 -0.04 7.75 7.89 1lc5A1 LEU 64 H 0.03 0.03 -0.31 -0.55 8.37 7.58 1lc5A1 LEU 64 HA -0.03 0.11 0.32 -0.75 4.35 4.00 1lc5A1 LEU 64 HB2 0.04 -0.03 0.03 -0.04 1.64 1.64 1lc5A1 LEU 64 HB3 -0.06 0.06 0.09 -0.04 1.64 1.70 1lc5A1 LEU 64 HG -0.03 0.03 -0.31 -0.04 1.64 1.28 1lc5A1 LEU 64 HD13 -0.05 0.03 -0.06 -0.04 0.93 0.81 1lc5A1 LEU 64 HD23 -0.09 -0.01 -0.06 -0.04 0.89 0.69 1lc5A1 HIS 65 H -0.12 0.63 -0.06 -0.55 8.41 8.32 1lc5A1 HIS 65 HA -0.08 -0.01 0.39 -0.75 4.63 4.18 1lc5A1 HIS 65 HB2 -0.04 0.06 0.14 -0.04 3.26 3.38 1lc5A1 HIS 65 HB3 -0.02 0.08 0.09 -0.04 3.20 3.31 1lc5A1 HIS 65 HD2 -0.03 -0.09 -0.13 -0.04 6.97 6.68 1lc5A1 HIS 65 HE1 0.12 0.06 0.03 -0.04 7.75 7.92 1lc5A1 GLN 66 H -0.22 0.55 -0.17 -0.55 8.47 8.09 1lc5A1 GLN 66 HA -0.17 -0.01 0.48 -0.75 4.36 3.90 1lc5A1 GLN 66 HB2 -0.76 0.03 0.12 -0.04 2.15 1.50 1lc5A1 GLN 66 HB3 -0.31 0.08 0.16 -0.04 2.02 1.91 1lc5A1 GLN 66 HG2 -0.14 0.00 -0.13 -0.04 2.40 2.10 1lc5A1 GLN 66 HG3 -0.17 -0.04 0.05 -0.04 2.39 2.19 1lc5A1 GLN 66 HE21 0.17 -0.01 -0.02 -0.04 6.97 7.07 1lc5A1 GLN 66 HE22 0.03 -0.01 -0.01 -0.04 7.69 7.67 1lc5A1 ALA 67 H -0.10 0.51 -0.18 -0.55 8.40 8.09 1lc5A1 ALA 67 HA -0.08 0.01 0.40 -0.75 4.34 3.92 1lc5A1 ALA 67 HB3 -0.09 0.04 0.14 -0.04 1.41 1.46 1lc5A1 LEU 68 H -0.08 0.49 -0.11 -0.55 8.37 8.12 1lc5A1 LEU 68 HA -0.12 0.01 0.38 -0.75 4.35 3.86 1lc5A1 LEU 68 HB2 -0.13 0.10 0.07 -0.04 1.64 1.64 1lc5A1 LEU 68 HB3 -0.41 -0.06 -0.07 -0.04 1.64 1.07 1lc5A1 LEU 68 HG -0.16 0.20 0.02 -0.04 1.64 1.66 1lc5A1 LEU 68 HD13 -0.30 -0.04 -0.15 -0.04 0.93 0.40 1lc5A1 LEU 68 HD23 -0.46 -0.03 -0.07 -0.04 0.89 0.28 1lc5A1 ALA 69 H -0.04 0.59 -0.22 -0.55 8.40 8.17 1lc5A1 ALA 69 HA 0.03 -0.01 0.30 -0.75 4.34 3.91 1lc5A1 ALA 69 HB3 -0.08 0.09 0.00 -0.04 1.41 1.39 1lc5A1 ARG 70 H -0.05 0.66 -0.11 -0.55 8.46 8.41 1lc5A1 ARG 70 HA -0.05 0.01 0.42 -0.75 4.34 3.96 1lc5A1 ARG 70 HB2 -0.04 0.10 0.16 -0.04 1.90 2.08 1lc5A1 ARG 70 HB3 -0.04 -0.05 0.03 -0.04 1.80 1.71 1lc5A1 ARG 70 HG2 -0.05 -0.05 0.03 -0.04 1.67 1.55 1lc5A1 ARG 70 HG3 -0.07 0.14 0.08 -0.04 1.67 1.78 1lc5A1 ARG 70 HD2 -0.04 -0.01 -0.01 -0.04 3.22 3.12 1lc5A1 ARG 70 HD3 -0.04 -0.05 -0.01 -0.04 3.22 3.07 1lc5A1 HIS 71 H 0.03 0.40 -0.33 -0.55 8.41 7.96 1lc5A1 HIS 71 HA -0.10 0.01 0.32 -0.75 4.63 4.10 1lc5A1 HIS 71 HB2 -0.14 0.01 0.09 -0.04 3.26 3.17 1lc5A1 HIS 71 HB3 -0.24 0.17 0.15 -0.04 3.20 3.24 1lc5A1 HIS 71 HD2 -0.06 0.02 -0.01 -0.04 6.97 6.87 1lc5A1 HIS 71 HE1 -0.09 -0.04 -0.06 -0.04 7.75 7.51 1lc5A1 HIS 72 H 0.04 0.36 -0.24 -0.55 8.41 8.02 1lc5A1 HIS 72 HA -0.10 0.11 0.59 -0.75 4.63 4.48 1lc5A1 HIS 72 HB2 0.05 0.04 -0.02 -0.04 3.26 3.29 1lc5A1 HIS 72 HB3 0.06 -0.05 -0.03 -0.04 3.20 3.14 1lc5A1 HIS 72 HD2 0.15 0.11 -0.09 -0.04 6.97 7.09 1lc5A1 HIS 72 HE1 0.27 -0.02 -0.07 -0.04 7.75 7.88 1lc5A1 GLN 73 H -0.04 0.26 -0.46 -0.55 8.47 7.69 1lc5A1 GLN 73 HA -0.07 -0.01 0.31 -0.75 4.36 3.84 1lc5A1 GLN 73 HB2 -0.06 0.04 -0.17 -0.04 2.15 1.92 1lc5A1 GLN 73 HB3 -0.04 0.06 0.15 -0.04 2.02 2.15 1lc5A1 GLN 73 HG2 -0.05 -0.06 0.03 -0.04 2.40 2.28 1lc5A1 GLN 73 HG3 -0.07 -0.05 0.08 -0.04 2.39 2.30 1lc5A1 GLN 73 HE21 -0.05 -0.05 -0.01 -0.04 6.97 6.82 1lc5A1 GLN 73 HE22 -0.05 -0.05 -0.02 -0.04 7.69 7.53 1lc5A1 VAL 74 H -0.09 0.42 -0.02 -0.55 8.24 8.00 1lc5A1 VAL 74 HA -0.45 0.18 0.77 -0.75 4.13 3.88 1lc5A1 VAL 74 HB -0.74 -0.01 0.03 -0.04 2.12 1.35 1lc5A1 VAL 74 HG13 0.08 0.04 -0.25 -0.04 0.97 0.80 1lc5A1 VAL 74 HG23 0.02 -0.00 -0.24 -0.04 0.95 0.69 1lc5A1 PRO 75 HA -0.30 0.06 0.45 -0.51 4.44 4.13 1lc5A1 PRO 75 HB2 -0.85 -0.05 -0.02 -0.04 2.28 1.33 1lc5A1 PRO 75 HB3 -0.31 0.01 0.07 -0.04 2.02 1.75 1lc5A1 PRO 75 HG2 -0.87 0.08 0.05 -0.04 2.03 1.25 1lc5A1 PRO 75 HG3 -0.50 0.07 0.04 -0.04 2.03 1.59 1lc5A1 PRO 75 HD2 -3.21 0.11 0.15 -0.04 3.68 0.69 1lc5A1 PRO 75 HD3 -1.15 0.21 0.16 -0.04 3.65 2.83 1lc5A1 ALA 76 H -0.11 0.14 0.16 -0.55 8.40 8.04 1lc5A1 ALA 76 HA -0.06 0.16 0.30 -0.75 4.34 3.99 1lc5A1 ALA 76 HB3 -0.03 0.00 0.01 -0.04 1.41 1.36 1lc5A1 SER 77 H -0.01 0.02 -0.25 -0.55 8.46 7.67 1lc5A1 SER 77 HA 0.08 0.16 0.43 -0.75 4.49 4.41 1lc5A1 SER 77 HB2 0.14 0.05 0.06 -0.04 3.95 4.16 1lc5A1 SER 77 HB3 0.09 -0.05 0.05 -0.04 3.93 3.99 1lc5A1 TRP 78 H 0.13 0.36 -0.58 -0.55 7.97 7.33 1lc5A1 TRP 78 HA -0.07 0.26 0.67 -0.75 4.62 4.72 1lc5A1 TRP 78 HB2 -0.04 0.17 -0.02 -0.04 3.23 3.29 1lc5A1 TRP 78 HB3 -0.08 -0.19 0.03 -0.04 3.23 2.96 1lc5A1 TRP 78 HD1 -0.04 -0.08 -0.37 -0.04 7.22 6.69 1lc5A1 TRP 78 HE1 -0.04 -0.02 -0.03 -0.04 10.20 10.08 1lc5A1 TRP 78 HE3 -0.06 -0.01 -0.12 -0.04 7.59 7.36 1lc5A1 TRP 78 HZ2 -0.03 0.02 0.03 -0.04 7.44 7.41 1lc5A1 TRP 78 HZ3 -0.04 0.02 -0.07 -0.04 7.13 7.00 1lc5A1 TRP 78 HH2 -0.03 -0.05 0.00 -0.04 7.19 7.07 1lc5A1 ILE 79 H 0.04 0.44 -0.30 -0.55 8.25 7.88 1lc5A1 ILE 79 HA 0.08 0.42 1.17 -0.75 4.18 5.09 1lc5A1 ILE 79 HB -0.09 0.06 0.09 -0.04 1.89 1.91 1lc5A1 ILE 79 HG12 0.15 0.06 -0.31 -0.04 1.49 1.35 1lc5A1 ILE 79 HG13 0.08 0.02 -0.27 -0.04 1.21 1.00 1lc5A1 ILE 79 HG23 -0.04 -0.05 -0.21 -0.04 0.93 0.58 1lc5A1 ILE 79 HD13 0.05 -0.02 -0.29 -0.04 0.88 0.57 1lc5A1 LEU 80 H 0.07 0.52 0.25 -0.55 8.37 8.66 1lc5A1 LEU 80 HA -0.32 0.16 0.78 -0.75 4.35 4.22 1lc5A1 LEU 80 HB2 0.03 0.10 -0.10 -0.04 1.64 1.64 1lc5A1 LEU 80 HB3 0.10 -0.09 0.08 -0.04 1.64 1.69 1lc5A1 LEU 80 HG 0.10 0.03 -0.31 -0.04 1.64 1.41 1lc5A1 LEU 80 HD13 0.15 -0.01 0.02 -0.04 0.93 1.05 1lc5A1 LEU 80 HD23 0.09 -0.01 -0.23 -0.04 0.89 0.71 1lc5A1 ALA 81 H 0.65 0.16 0.05 -0.55 8.40 8.71 1lc5A1 ALA 81 HA 0.22 0.07 0.75 -0.75 4.34 4.62 1lc5A1 ALA 81 HB3 0.05 -0.00 0.05 -0.04 1.41 1.47 1lc5A1 GLY 82 H 0.11 0.61 0.23 -0.55 8.43 8.83 1lc5A1 GLY 82 HA2 0.02 0.25 0.70 -0.51 4.01 4.47 1lc5A1 GLY 82 HA3 0.07 -0.02 0.12 -0.51 4.01 3.67 1lc5A1 ASN 83 H 0.03 0.22 -0.01 -0.55 8.53 8.23 1lc5A1 ASN 83 HA 0.02 0.20 0.45 -0.75 4.76 4.68 1lc5A1 ASN 83 HB2 0.03 0.22 0.04 -0.04 2.88 3.14 1lc5A1 ASN 83 HB3 0.03 -0.08 0.21 -0.04 2.79 2.91 1lc5A1 ASN 83 HD21 0.02 -0.00 0.06 -0.04 7.03 7.07 1lc5A1 ASN 83 HD22 0.02 -0.04 0.09 -0.04 7.74 7.77 1lc5A1 GLY 84 H 0.04 0.35 -0.28 -0.55 8.43 7.99 1lc5A1 GLY 84 HA2 0.04 -0.11 0.14 -0.51 4.01 3.57 1lc5A1 GLY 84 HA3 0.04 0.20 0.65 -0.51 4.01 4.39 1lc5A1 GLU 85 H 0.03 0.15 0.04 -0.55 8.60 8.27 1lc5A1 GLU 85 HA 0.05 0.12 0.49 -0.75 4.29 4.21 1lc5A1 GLU 85 HB2 -0.02 0.05 0.11 -0.04 2.09 2.18 1lc5A1 GLU 85 HB3 -0.01 -0.02 -0.02 -0.04 1.99 1.90 1lc5A1 GLU 85 HG2 0.06 -0.02 -0.07 -0.04 2.34 2.28 1lc5A1 GLU 85 HG3 -0.01 0.14 0.04 -0.04 2.34 2.47 1lc5A1 THR 86 H 0.08 0.04 -0.33 -0.55 8.28 7.52 1lc5A1 THR 86 HA 0.26 0.04 0.31 -0.75 4.39 4.25 1lc5A1 THR 86 HB 0.12 0.10 0.02 -0.04 4.32 4.52 1lc5A1 THR 86 HG23 0.26 0.03 -0.09 -0.04 1.22 1.38 1lc5A1 GLU 87 H 0.11 0.29 -0.54 -0.55 8.60 7.91 1lc5A1 GLU 87 HA 0.17 0.10 0.39 -0.75 4.29 4.20 1lc5A1 GLU 87 HB2 0.06 0.17 0.04 -0.04 2.09 2.32 1lc5A1 GLU 87 HB3 0.08 -0.08 -0.09 -0.04 1.99 1.85 1lc5A1 GLU 87 HG2 0.09 0.02 -0.19 -0.04 2.34 2.21 1lc5A1 GLU 87 HG3 0.06 0.04 0.04 -0.04 2.34 2.45 1lc5A1 SER 88 H 0.11 0.17 -0.36 -0.55 8.46 7.84 1lc5A1 SER 88 HA 0.10 0.10 0.27 -0.75 4.49 4.21 1lc5A1 SER 88 HB2 0.09 0.05 0.02 -0.04 3.95 4.06 1lc5A1 SER 88 HB3 0.10 0.04 -0.13 -0.04 3.93 3.89 1lc5A1 ILE 89 H 0.16 0.42 -0.34 -0.55 8.25 7.94 1lc5A1 ILE 89 HA 0.09 0.03 0.42 -0.75 4.18 3.96 1lc5A1 ILE 89 HB 0.15 0.18 0.08 -0.04 1.89 2.27 1lc5A1 ILE 89 HG12 0.27 -0.00 -0.07 -0.04 1.49 1.64 1lc5A1 ILE 89 HG13 0.18 0.05 -0.07 -0.04 1.21 1.33 1lc5A1 ILE 89 HG23 -0.09 -0.02 -0.28 -0.04 0.93 0.50 1lc5A1 ILE 89 HD13 0.38 -0.06 -0.13 -0.04 0.88 1.03 1lc5A1 PHE 90 H 0.33 0.39 -0.12 -0.55 8.34 8.38 1lc5A1 PHE 90 HA 0.00 0.03 0.47 -0.75 4.62 4.37 1lc5A1 PHE 90 HB2 0.02 0.05 0.16 -0.04 3.15 3.34 1lc5A1 PHE 90 HB3 0.01 0.05 0.01 -0.04 3.06 3.08 1lc5A1 PHE 90 HD2 0.01 0.20 0.03 -0.04 7.28 7.48 1lc5A1 PHE 90 HE2 -0.02 -0.03 -0.10 -0.04 7.38 7.20 1lc5A1 PHE 90 HZ -0.04 -0.05 -0.07 -0.04 7.32 7.12 1lc5A1 THR 91 H 0.15 0.63 -0.15 -0.55 8.28 8.37 1lc5A1 THR 91 HA 0.07 0.08 0.34 -0.75 4.39 4.12 1lc5A1 THR 91 HB 0.08 -0.01 0.08 -0.04 4.32 4.43 1lc5A1 THR 91 HG23 0.05 0.01 -0.16 -0.04 1.22 1.08 1lc5A1 VAL 92 H 0.01 0.57 -0.18 -0.55 8.24 8.09 1lc5A1 VAL 92 HA -0.26 0.05 0.28 -0.75 4.13 3.44 1lc5A1 VAL 92 HB -0.07 0.01 0.04 -0.04 2.12 2.06 1lc5A1 VAL 92 HG13 0.03 0.01 -0.03 -0.04 0.97 0.94 1lc5A1 VAL 92 HG23 -0.76 -0.01 -0.08 -0.04 0.95 0.05 1lc5A1 ALA 93 H -0.04 0.47 -0.26 -0.55 8.40 8.02 1lc5A1 ALA 93 HA -0.00 0.01 0.32 -0.75 4.34 3.91 1lc5A1 ALA 93 HB3 -0.11 0.01 -0.05 -0.04 1.41 1.22 1lc5A1 SER 94 H -0.01 0.56 -0.14 -0.55 8.46 8.32 1lc5A1 SER 94 HA -0.01 0.08 0.43 -0.75 4.49 4.24 1lc5A1 SER 94 HB2 0.02 -0.02 0.03 -0.04 3.95 3.94 1lc5A1 SER 94 HB3 0.05 -0.04 0.07 -0.04 3.93 3.97 1lc5A1 GLY 95 H -0.06 0.56 -0.18 -0.55 8.43 8.20 1lc5A1 GLY 95 HA2 -0.03 0.04 0.41 -0.51 4.01 3.93 1lc5A1 GLY 95 HA3 -0.07 -0.03 0.21 -0.51 4.01 3.61 1lc5A1 LEU 96 H -0.16 0.44 -0.24 -0.55 8.37 7.87 1lc5A1 LEU 96 HA -0.12 0.06 0.68 -0.75 4.35 4.21 1lc5A1 LEU 96 HB2 -0.19 0.08 0.05 -0.04 1.64 1.54 1lc5A1 LEU 96 HB3 -0.16 -0.06 -0.02 -0.04 1.64 1.36 1lc5A1 LEU 96 HG -0.71 0.03 -0.03 -0.04 1.64 0.89 1lc5A1 LEU 96 HD13 -0.75 -0.03 -0.10 -0.04 0.93 0.01 1lc5A1 LEU 96 HD23 -0.27 0.00 -0.06 -0.04 0.89 0.52 1lc5A1 LYS 97 H -0.05 0.29 -0.28 -0.55 8.42 7.82 1lc5A1 LYS 97 HA -0.02 0.07 0.32 -0.75 4.32 3.94 1lc5A1 PRO 98 HA -0.01 0.06 0.47 -0.51 4.44 4.44 1lc5A1 PRO 98 HB2 0.03 -0.04 -0.22 -0.04 2.28 2.01 1lc5A1 PRO 98 HB3 -0.00 0.02 -0.07 -0.04 2.02 1.93 1lc5A1 PRO 98 HG2 0.02 -0.00 -0.10 -0.04 2.03 1.91 1lc5A1 PRO 98 HG3 0.09 -0.07 -0.09 -0.04 2.03 1.92 1lc5A1 PRO 98 HD2 -0.01 0.21 0.10 -0.04 3.68 3.94 1lc5A1 PRO 98 HD3 -0.03 0.03 -0.19 -0.04 3.65 3.41 1lc5A1 ARG 99 H 0.00 0.10 0.25 -0.55 8.46 8.26 1lc5A1 ARG 99 HA 0.00 0.23 0.76 -0.75 4.34 4.58 1lc5A1 ARG 99 HB2 0.00 -0.00 0.19 -0.04 1.90 2.05 1lc5A1 ARG 99 HB3 0.01 -0.05 0.06 -0.04 1.80 1.78 1lc5A1 ARG 99 HG2 0.00 -0.06 0.06 -0.04 1.67 1.63 1lc5A1 ARG 99 HG3 0.00 0.06 0.05 -0.04 1.67 1.74 1lc5A1 ARG 99 HD2 0.00 -0.04 0.04 -0.04 3.22 3.18 1lc5A1 ARG 99 HD3 -0.00 0.21 0.03 -0.04 3.22 3.42 1lc5A1 ARG 100 H 0.01 0.13 0.22 -0.55 8.46 8.27 1lc5A1 ARG 100 HA 0.02 0.31 0.89 -0.75 4.34 4.81 1lc5A1 ARG 100 HB2 0.01 0.13 0.21 -0.04 1.90 2.22 1lc5A1 ARG 100 HB3 0.02 -0.03 0.01 -0.04 1.80 1.76 1lc5A1 ARG 100 HG2 0.02 -0.01 0.02 -0.04 1.67 1.65 1lc5A1 ARG 100 HG3 0.01 -0.01 -0.44 -0.04 1.67 1.19 1lc5A1 ARG 100 HD2 0.01 -0.06 -0.08 -0.04 3.22 3.05 1lc5A1 ARG 100 HD3 0.01 -0.06 -0.03 -0.04 3.22 3.10 1lc5A1 ALA 101 H 0.04 0.70 0.34 -0.55 8.40 8.94 1lc5A1 ALA 101 HA 0.07 0.18 0.96 -0.75 4.34 4.79 1lc5A1 ALA 101 HB3 0.17 -0.00 -0.13 -0.04 1.41 1.40 1lc5A1 MET 102 H 0.11 0.63 0.40 -0.55 8.47 9.06 1lc5A1 MET 102 HA 0.11 0.34 1.12 -0.75 4.52 5.34 1lc5A1 MET 102 HB2 0.08 0.01 -0.02 -0.04 2.15 2.18 1lc5A1 MET 102 HB3 0.06 -0.02 0.19 -0.04 2.03 2.22 1lc5A1 MET 102 HG2 0.15 -0.06 -0.25 -0.04 2.63 2.43 1lc5A1 MET 102 HG3 0.18 0.04 -0.11 -0.04 2.56 2.63 1lc5A1 MET 102 HE3 0.14 0.04 -0.12 -0.04 2.10 2.13 1lc5A1 ILE 103 H 0.13 0.65 0.39 -0.55 8.25 8.87 1lc5A1 ILE 103 HA 0.19 0.17 0.90 -0.75 4.18 4.69 1lc5A1 ILE 103 HB 0.18 -0.03 0.04 -0.04 1.89 2.04 1lc5A1 ILE 103 HG12 0.07 0.12 -0.06 -0.04 1.49 1.58 1lc5A1 ILE 103 HG13 0.11 -0.06 -0.26 -0.04 1.21 0.96 1lc5A1 ILE 103 HG23 -0.00 -0.01 -0.20 -0.04 0.93 0.67 1lc5A1 ILE 103 HD13 0.04 -0.01 -0.14 -0.04 0.88 0.72 1lc5A1 VAL 104 H 0.21 0.20 0.18 -0.55 8.24 8.28 1lc5A1 VAL 104 HA 0.27 0.27 0.99 -0.75 4.13 4.92 1lc5A1 VAL 104 HB 0.20 -0.08 0.18 -0.04 2.12 2.39 1lc5A1 VAL 104 HG13 0.29 0.01 -0.16 -0.04 0.97 1.06 1lc5A1 VAL 104 HG23 0.22 0.00 -0.10 -0.04 0.95 1.04 1lc5A1 THR 105 H 0.12 0.59 0.29 -0.55 8.28 8.74 1lc5A1 THR 105 HA 0.10 0.08 0.79 -0.75 4.39 4.60 1lc5A1 THR 105 HB 0.03 0.23 -0.00 -0.04 4.32 4.54 1lc5A1 THR 105 HG23 0.06 -0.02 -0.21 -0.04 1.22 1.01 1lc5A1 PRO 106 HA 0.04 0.09 0.47 -0.51 4.44 4.53 1lc5A1 PRO 106 HB2 -0.31 -0.03 -0.02 -0.04 2.28 1.88 1lc5A1 PRO 106 HB3 -0.24 0.16 -0.01 -0.04 2.02 1.89 1lc5A1 PRO 106 HG2 -0.30 -0.06 0.01 -0.04 2.03 1.65 1lc5A1 PRO 106 HG3 -0.77 0.01 -0.04 -0.04 2.03 1.19 1lc5A1 PRO 106 HD2 0.03 0.06 0.40 -0.04 3.68 4.13 1lc5A1 PRO 106 HD3 -0.19 0.11 0.09 -0.04 3.65 3.62 1lc5A1 GLY 107 H 0.21 0.26 0.28 -0.55 8.43 8.64 1lc5A1 GLY 107 HA2 0.18 0.32 0.72 -0.51 4.01 4.73 1lc5A1 GLY 107 HA3 0.23 0.10 0.44 -0.51 4.01 4.27 1lc5A1 PHE 108 H 0.18 0.08 0.21 -0.55 8.34 8.26 1lc5A1 PHE 108 HA -0.02 0.05 0.43 -0.75 4.62 4.32 1lc5A1 PHE 108 HB2 -0.09 0.04 0.15 -0.04 3.15 3.22 1lc5A1 PHE 108 HB3 -0.90 -0.01 0.14 -0.04 3.06 2.24 1lc5A1 PHE 108 HD2 -0.20 0.06 -0.01 -0.04 7.28 7.09 1lc5A1 PHE 108 HE2 -0.22 0.04 -0.03 -0.04 7.38 7.12 1lc5A1 PHE 108 HZ -0.26 0.03 -0.03 -0.04 7.32 7.02 1lc5A1 ALA 109 H -0.37 0.17 0.22 -0.55 8.40 7.86 1lc5A1 ALA 109 HA -0.27 0.16 0.31 -0.75 4.34 3.78 1lc5A1 ALA 109 HB3 -0.32 0.04 0.12 -0.04 1.41 1.21 1lc5A1 GLU 110 H -1.32 0.04 -0.26 -0.55 8.60 6.51 1lc5A1 GLU 110 HA -0.27 0.12 0.34 -0.75 4.29 3.72 1lc5A1 GLU 110 HB2 -0.40 -0.02 -0.01 -0.04 2.09 1.62 1lc5A1 GLU 110 HB3 -0.13 0.07 0.04 -0.04 1.99 1.93 1lc5A1 GLU 110 HG2 -0.94 -0.07 0.00 -0.04 2.34 1.29 1lc5A1 GLU 110 HG3 -0.10 0.01 -0.02 -0.04 2.34 2.19 1lc5A1 TYR 111 H -0.55 0.31 -0.29 -0.55 8.29 7.20 1lc5A1 TYR 111 HA -0.40 0.07 0.34 -0.75 4.56 3.81 1lc5A1 TYR 111 HB2 -0.22 0.03 0.01 -0.04 3.06 2.84 1lc5A1 TYR 111 HB3 -0.63 0.06 -0.03 -0.04 2.98 2.34 1lc5A1 TYR 111 HD2 -0.01 0.02 -0.05 -0.04 7.15 7.07 1lc5A1 TYR 111 HE2 0.18 -0.03 -0.01 -0.04 6.85 6.96 1lc5A1 GLY 112 H -0.13 0.21 -0.15 -0.55 8.43 7.81 1lc5A1 GLY 112 HA2 -0.11 0.08 0.32 -0.51 4.01 3.78 1lc5A1 GLY 112 HA3 -0.10 0.09 0.24 -0.51 4.01 3.74 1lc5A1 ARG 113 H -0.18 0.28 -0.22 -0.55 8.46 7.79 1lc5A1 ARG 113 HA -0.06 0.08 0.40 -0.75 4.34 4.01 1lc5A1 ARG 113 HB2 -0.05 -0.02 0.08 -0.04 1.90 1.87 1lc5A1 ARG 113 HB3 0.07 0.01 -0.00 -0.04 1.80 1.84 1lc5A1 ARG 113 HG2 -0.06 0.03 -0.02 -0.04 1.67 1.57 1lc5A1 ARG 113 HG3 -0.13 0.17 -0.01 -0.04 1.67 1.66 1lc5A1 ARG 113 HD2 -0.09 -0.00 -0.06 -0.04 3.22 3.03 1lc5A1 ARG 113 HD3 -0.01 -0.08 -0.08 -0.04 3.22 3.00 1lc5A1 ALA 114 H -0.41 0.55 -0.17 -0.55 8.40 7.83 1lc5A1 ALA 114 HA -0.22 0.03 0.39 -0.75 4.34 3.78 1lc5A1 ALA 114 HB3 -0.87 0.01 0.02 -0.04 1.41 0.52 1lc5A1 LEU 115 H -0.23 0.51 -0.18 -0.55 8.37 7.92 1lc5A1 LEU 115 HA -0.09 0.09 0.36 -0.75 4.35 3.95 1lc5A1 LEU 115 HB2 -0.13 0.02 0.04 -0.04 1.64 1.53 1lc5A1 LEU 115 HB3 -0.07 0.01 -0.15 -0.04 1.64 1.38 1lc5A1 LEU 115 HG -0.38 0.05 -0.02 -0.04 1.64 1.26 1lc5A1 LEU 115 HD13 -0.33 -0.04 -0.25 -0.04 0.93 0.27 1lc5A1 LEU 115 HD23 -0.00 0.01 -0.12 -0.04 0.89 0.73 1lc5A1 ALA 116 H -0.07 0.55 -0.19 -0.55 8.40 8.13 1lc5A1 ALA 116 HA -0.02 0.10 0.41 -0.75 4.34 4.07 1lc5A1 ALA 116 HB3 -0.03 -0.00 0.08 -0.04 1.41 1.42 1lc5A1 GLN 117 H -0.00 0.48 -0.20 -0.55 8.47 8.20 1lc5A1 GLN 117 HA 0.02 -0.00 0.42 -0.75 4.36 4.05 1lc5A1 GLN 117 HB2 0.11 0.10 0.15 -0.04 2.15 2.47 1lc5A1 GLN 117 HB3 0.08 -0.04 0.05 -0.04 2.02 2.07 1lc5A1 GLN 117 HG2 0.05 -0.05 0.04 -0.04 2.40 2.40 1lc5A1 GLN 117 HG3 0.07 0.13 0.08 -0.04 2.39 2.63 1lc5A1 GLN 117 HE21 0.09 -0.08 -0.04 -0.04 6.97 6.90 1lc5A1 GLN 117 HE22 0.08 -0.01 -0.03 -0.04 7.69 7.69 1lc5A1 SER 118 H -0.01 0.29 -0.50 -0.55 8.46 7.69 1lc5A1 SER 118 HA 0.01 0.09 0.64 -0.75 4.49 4.48 1lc5A1 SER 118 HB2 -0.01 0.01 0.11 -0.04 3.95 4.02 1lc5A1 SER 118 HB3 0.00 -0.08 -0.06 -0.04 3.93 3.75 1lc5A1 GLY 119 H -0.00 0.38 -0.48 -0.55 8.43 7.79 1lc5A1 GLY 119 HA2 -0.00 -0.01 0.28 -0.51 4.01 3.76 1lc5A1 GLY 119 HA3 0.00 0.02 0.44 -0.51 4.01 3.96 1lc5A1 CYS 120 H -0.01 0.38 -0.13 -0.55 8.50 8.19 1lc5A1 CYS 120 HA 0.00 0.19 0.36 -0.75 4.58 4.38 1lc5A1 CYS 120 HB2 -0.01 0.13 -0.11 -0.04 2.97 2.94 1lc5A1 CYS 120 HB3 -0.01 -0.18 -0.22 -0.04 2.97 2.52 1lc5A1 GLU 121 H 0.01 0.74 0.23 -0.55 8.60 9.03 1lc5A1 GLU 121 HA 0.01 0.03 0.65 -0.75 4.29 4.23 1lc5A1 GLU 121 HB2 0.01 0.03 0.18 -0.04 2.09 2.26 1lc5A1 GLU 121 HB3 0.01 0.05 0.35 -0.04 1.99 2.36 1lc5A1 GLU 121 HG2 0.02 -0.01 -0.35 -0.04 2.34 1.96 1lc5A1 GLU 121 HG3 0.01 -0.02 0.01 -0.04 2.34 2.30 1lc5A1 ILE 122 H 0.01 0.17 0.12 -0.55 8.25 8.00 1lc5A1 ILE 122 HA 0.03 0.23 0.83 -0.75 4.18 4.52 1lc5A1 ILE 122 HB 0.00 -0.04 0.07 -0.04 1.89 1.88 1lc5A1 ILE 122 HG12 -0.02 -0.02 -0.28 -0.04 1.49 1.13 1lc5A1 ILE 122 HG13 -0.01 0.20 -0.34 -0.04 1.21 1.02 1lc5A1 ILE 122 HG23 0.01 -0.03 -0.25 -0.04 0.93 0.63 1lc5A1 ILE 122 HD13 -0.04 -0.04 -0.08 -0.04 0.88 0.68 1lc5A1 ARG 123 H 0.06 0.80 0.45 -0.55 8.46 9.22 1lc5A1 ARG 123 HA 0.05 0.12 0.88 -0.75 4.34 4.64 1lc5A1 ARG 123 HB2 0.08 0.01 0.10 -0.04 1.90 2.05 1lc5A1 ARG 123 HB3 0.09 0.01 0.02 -0.04 1.80 1.87 1lc5A1 ARG 123 HG2 0.04 0.00 -0.06 -0.04 1.67 1.62 1lc5A1 ARG 123 HG3 0.04 0.01 -0.22 -0.04 1.67 1.46 1lc5A1 ARG 123 HD2 0.05 -0.00 -0.10 -0.04 3.22 3.12 1lc5A1 ARG 123 HD3 0.06 0.01 -0.05 -0.04 3.22 3.20 1lc5A1 ARG 124 H 0.06 0.19 0.15 -0.55 8.46 8.32 1lc5A1 ARG 124 HA 0.12 0.26 1.08 -0.75 4.34 5.05 1lc5A1 ARG 124 HB2 0.02 -0.01 0.07 -0.04 1.90 1.94 1lc5A1 ARG 124 HB3 0.04 -0.00 -0.15 -0.04 1.80 1.64 1lc5A1 ARG 124 HG2 0.05 -0.01 -0.17 -0.04 1.67 1.50 1lc5A1 ARG 124 HG3 0.04 -0.00 -0.34 -0.04 1.67 1.33 1lc5A1 ARG 124 HD2 0.01 -0.00 -0.09 -0.04 3.22 3.09 1lc5A1 ARG 124 HD3 0.01 0.03 -0.06 -0.04 3.22 3.15 1lc5A1 TRP 125 H 0.27 0.77 0.38 -0.55 7.97 8.83 1lc5A1 TRP 125 HA 0.03 0.13 0.80 -0.75 4.62 4.83 1lc5A1 TRP 125 HB2 0.03 0.05 0.01 -0.04 3.23 3.28 1lc5A1 TRP 125 HB3 0.05 -0.02 0.13 -0.04 3.23 3.35 1lc5A1 TRP 125 HD1 0.05 -0.06 -0.22 -0.04 7.22 6.95 1lc5A1 TRP 125 HE1 0.03 -0.12 -0.12 -0.04 10.20 9.95 1lc5A1 TRP 125 HE3 0.02 0.07 0.01 -0.04 7.59 7.65 1lc5A1 TRP 125 HZ2 0.01 -0.13 -0.16 -0.04 7.44 7.11 1lc5A1 TRP 125 HZ3 0.01 0.03 -0.04 -0.04 7.13 7.09 1lc5A1 TRP 125 HH2 0.01 -0.00 -0.17 -0.04 7.19 6.98 1lc5A1 SER 126 H -0.77 0.18 0.06 -0.55 8.46 7.39 1lc5A1 SER 126 HA -0.14 0.14 0.80 -0.75 4.49 4.54 1lc5A1 SER 126 HB2 -0.39 -0.06 0.13 -0.04 3.95 3.59 1lc5A1 SER 126 HB3 -0.16 0.14 -0.01 -0.04 3.93 3.86 1lc5A1 LEU 127 H 0.04 0.77 0.36 -0.55 8.37 9.00 1lc5A1 LEU 127 HA 0.08 -0.02 0.49 -0.75 4.35 4.15 1lc5A1 LEU 127 HB2 0.37 0.09 0.12 -0.04 1.64 2.18 1lc5A1 LEU 127 HB3 0.32 -0.07 -0.11 -0.04 1.64 1.74 1lc5A1 LEU 127 HG 0.22 0.03 -0.09 -0.04 1.64 1.76 1lc5A1 LEU 127 HD13 0.17 0.06 -0.16 -0.04 0.93 0.95 1lc5A1 LEU 127 HD23 0.28 -0.02 -0.28 -0.04 0.89 0.83 1lc5A1 ARG 128 H -0.07 0.17 0.10 -0.55 8.46 8.11 1lc5A1 ARG 128 HA -0.40 0.31 1.05 -0.75 4.34 4.55 1lc5A1 ARG 128 HB2 -0.19 -0.07 0.05 -0.04 1.90 1.65 1lc5A1 ARG 128 HB3 -0.26 -0.11 0.02 -0.04 1.80 1.41 1lc5A1 ARG 128 HG2 -0.20 0.13 -0.20 -0.04 1.67 1.36 1lc5A1 ARG 128 HG3 -0.15 0.07 -0.11 -0.04 1.67 1.43 1lc5A1 ARG 128 HD2 -0.12 -0.00 -0.03 -0.04 3.22 3.03 1lc5A1 ARG 128 HD3 -0.12 0.06 -0.04 -0.04 3.22 3.08 1lc5A1 GLU 129 H -0.96 0.28 0.15 -0.55 8.60 7.53 1lc5A1 GLU 129 HA -2.20 0.10 0.36 -0.75 4.29 1.79 1lc5A1 GLU 129 HB2 -0.63 0.09 0.11 -0.04 2.09 1.62 1lc5A1 GLU 129 HB3 -0.35 -0.00 0.09 -0.04 1.99 1.68 1lc5A1 GLU 129 HG2 -0.13 -0.00 -0.12 -0.04 2.34 2.05 1lc5A1 GLU 129 HG3 0.01 0.02 0.02 -0.04 2.34 2.36 1lc5A1 ALA 130 H -0.33 0.09 -0.20 -0.55 8.40 7.40 1lc5A1 ALA 130 HA -0.13 0.14 0.41 -0.75 4.34 4.00 1lc5A1 ALA 130 HB3 -0.11 0.02 0.04 -0.04 1.41 1.32 1lc5A1 ASP 131 H -0.27 0.29 -0.52 -0.55 8.40 7.35 1lc5A1 ASP 131 HA -0.04 0.21 0.78 -0.75 4.63 4.82 1lc5A1 ASP 131 HB2 -0.07 0.04 0.10 -0.04 2.71 2.74 1lc5A1 ASP 131 HB3 0.01 0.02 0.15 -0.04 2.70 2.83 1lc5A1 GLY 132 H -0.19 0.52 -0.31 -0.55 8.43 7.91 1lc5A1 GLY 132 HA2 0.09 0.09 0.31 -0.51 4.01 3.98 1lc5A1 GLY 132 HA3 0.10 0.07 0.42 -0.51 4.01 4.09 1lc5A1 TRP 133 H -0.40 0.33 -0.28 -0.55 7.97 7.07 1lc5A1 TRP 133 HA -0.06 -0.04 0.04 -0.75 4.62 3.81 1lc5A1 TRP 133 HB2 -0.27 0.23 0.06 -0.04 3.23 3.22 1lc5A1 TRP 133 HB3 -0.17 -0.06 0.06 -0.04 3.23 3.02 1lc5A1 TRP 133 HD1 -1.15 0.10 -0.29 -0.04 7.22 5.83 1lc5A1 TRP 133 HE1 0.11 0.02 -0.11 -0.04 10.20 10.18 1lc5A1 TRP 133 HE3 -0.13 -0.01 -0.28 -0.04 7.59 7.13 1lc5A1 TRP 133 HZ2 -0.07 -0.01 -0.02 -0.04 7.44 7.30 1lc5A1 TRP 133 HZ3 -0.14 0.21 -0.11 -0.04 7.13 7.05 1lc5A1 TRP 133 HH2 -0.14 0.17 0.04 -0.04 7.19 7.21 1lc5A1 GLN 134 H 0.07 0.39 -0.50 -0.55 8.47 7.89 1lc5A1 GLN 134 HA 0.12 0.03 0.49 -0.75 4.36 4.25 1lc5A1 GLN 134 HB2 0.09 0.05 -0.00 -0.04 2.15 2.24 1lc5A1 GLN 134 HB3 0.07 0.11 0.04 -0.04 2.02 2.20 1lc5A1 GLN 134 HG2 0.06 -0.03 -0.02 -0.04 2.40 2.37 1lc5A1 GLN 134 HG3 0.07 0.22 -0.16 -0.04 2.39 2.48 1lc5A1 GLN 134 HE21 0.06 0.21 -0.20 -0.04 6.97 7.00 1lc5A1 GLN 134 HE22 0.05 -0.00 -0.00 -0.04 7.69 7.70 1lc5A1 LEU 135 H 0.11 0.10 0.09 -0.55 8.37 8.13 1lc5A1 LEU 135 HA 0.21 0.07 0.54 -0.75 4.35 4.42 1lc5A1 LEU 135 HB2 0.13 0.06 0.08 -0.04 1.64 1.87 1lc5A1 LEU 135 HB3 0.08 -0.08 0.11 -0.04 1.64 1.71 1lc5A1 LEU 135 HG 0.02 0.03 -0.25 -0.04 1.64 1.40 1lc5A1 LEU 135 HD13 0.12 -0.00 -0.01 -0.04 0.93 1.00 1lc5A1 LEU 135 HD23 0.01 -0.01 -0.09 -0.04 0.89 0.77 1lc5A1 THR 136 H 0.19 0.15 0.17 -0.55 8.28 8.25 1lc5A1 THR 136 HA 0.05 0.29 1.04 -0.75 4.39 5.02 1lc5A1 THR 136 HB 0.06 -0.06 0.14 -0.04 4.32 4.42 1lc5A1 THR 136 HG23 0.08 0.08 -0.14 -0.04 1.22 1.20 1lc5A1 ASP 137 H 0.02 0.22 0.14 -0.55 8.40 8.23 1lc5A1 ASP 137 HA -0.07 0.13 0.39 -0.75 4.63 4.33 1lc5A1 ASP 137 HB2 -0.03 0.05 0.14 -0.04 2.71 2.83 1lc5A1 ASP 137 HB3 -0.01 0.01 0.10 -0.04 2.70 2.77 1lc5A1 ALA 138 H 0.05 0.04 -0.49 -0.55 8.40 7.45 1lc5A1 ALA 138 HA 0.02 0.10 0.41 -0.75 4.34 4.11 1lc5A1 ALA 138 HB3 0.31 0.02 0.01 -0.04 1.41 1.72 1lc5A1 ILE 139 H -0.37 0.36 -0.29 -0.55 8.25 7.41 1lc5A1 ILE 139 HA -1.97 0.08 0.37 -0.75 4.18 1.91 1lc5A1 ILE 139 HB -1.27 -0.03 0.03 -0.04 1.89 0.58 1lc5A1 ILE 139 HG12 -0.53 0.04 -0.16 -0.04 1.49 0.79 1lc5A1 ILE 139 HG13 -1.32 -0.00 -0.01 -0.04 1.21 -0.16 1lc5A1 ILE 139 HG23 -0.32 0.04 -0.15 -0.04 0.93 0.45 1lc5A1 ILE 139 HD13 -0.35 -0.00 -0.12 -0.04 0.88 0.37 1lc5A1 LEU 140 H -0.23 0.35 -0.37 -0.55 8.37 7.56 1lc5A1 LEU 140 HA -0.17 0.05 0.23 -0.75 4.35 3.71 1lc5A1 LEU 140 HB2 -0.09 0.06 0.10 -0.04 1.64 1.67 1lc5A1 LEU 140 HB3 -0.08 0.04 -0.02 -0.04 1.64 1.54 1lc5A1 LEU 140 HG -0.12 -0.09 0.02 -0.04 1.64 1.41 1lc5A1 LEU 140 HD13 -0.04 0.00 0.01 -0.04 0.93 0.85 1lc5A1 LEU 140 HD23 -0.08 -0.00 -0.16 -0.04 0.89 0.61 1lc5A1 GLU 141 H -0.11 0.18 -0.20 -0.55 8.60 7.92 1lc5A1 GLU 141 HA -0.04 0.10 0.38 -0.75 4.29 3.98 1lc5A1 ALA 142 H -0.19 0.23 -0.50 -0.55 8.40 7.39 1lc5A1 ALA 142 HA 0.04 0.05 0.46 -0.75 4.34 4.14 1lc5A1 ALA 142 HB3 -0.00 0.00 0.05 -0.04 1.41 1.42 1lc5A1 LEU 143 H -0.10 0.42 -0.40 -0.55 8.37 7.74 1lc5A1 LEU 143 HA -0.04 -0.00 0.58 -0.75 4.35 4.14 1lc5A1 LEU 143 HB2 -0.07 0.09 0.08 -0.04 1.64 1.69 1lc5A1 LEU 143 HB3 -0.05 0.01 -0.10 -0.04 1.64 1.45 1lc5A1 LEU 143 HG -0.17 0.15 -0.05 -0.04 1.64 1.53 1lc5A1 LEU 143 HD13 -0.10 -0.03 -0.11 -0.04 0.93 0.65 1lc5A1 LEU 143 HD23 -0.10 -0.02 -0.19 -0.04 0.89 0.54 1lc5A1 THR 144 H -0.01 0.13 0.16 -0.55 8.28 8.01 1lc5A1 THR 144 HA -0.01 0.26 0.88 -0.75 4.39 4.77 1lc5A1 THR 144 HB 0.00 -0.06 0.06 -0.04 4.32 4.28 1lc5A1 THR 144 HG23 0.01 0.04 -0.25 -0.04 1.22 0.98 1lc5A1 PRO 145 HA -0.01 0.27 0.45 -0.51 4.44 4.64 1lc5A1 PRO 145 HB2 -0.01 -0.05 0.04 -0.04 2.28 2.23 1lc5A1 PRO 145 HB3 -0.01 0.08 0.11 -0.04 2.02 2.16 1lc5A1 PRO 145 HG2 -0.01 -0.01 0.08 -0.04 2.03 2.05 1lc5A1 PRO 145 HG3 -0.01 0.08 0.07 -0.04 2.03 2.13 1lc5A1 PRO 145 HD2 -0.00 0.04 0.20 -0.04 3.68 3.88 1lc5A1 PRO 145 HD3 -0.01 0.19 0.22 -0.04 3.65 4.01 1lc5A1 ASP 146 H 0.00 -0.01 -0.31 -0.55 8.40 7.53 1lc5A1 ASP 146 HA 0.00 0.19 0.53 -0.75 4.63 4.60 1lc5A1 ASP 146 HB2 0.01 -0.00 0.11 -0.04 2.71 2.78 1lc5A1 ASP 146 HB3 0.00 -0.04 0.04 -0.04 2.70 2.66 1lc5A1 LEU 147 H -0.00 0.40 -0.39 -0.55 8.37 7.84 1lc5A1 LEU 147 HA 0.01 -0.02 0.53 -0.75 4.35 4.11 1lc5A1 LEU 147 HB2 -0.01 0.22 0.08 -0.04 1.64 1.89 1lc5A1 LEU 147 HB3 -0.00 -0.03 -0.12 -0.04 1.64 1.45 1lc5A1 LEU 147 HG 0.02 -0.07 -0.03 -0.04 1.64 1.51 1lc5A1 LEU 147 HD13 0.00 -0.03 0.00 -0.04 0.93 0.87 1lc5A1 LEU 147 HD23 0.04 0.00 -0.18 -0.04 0.89 0.71 1lc5A1 ASP 148 H 0.01 0.51 0.42 -0.55 8.40 8.78 1lc5A1 ASP 148 HA -0.01 0.32 1.02 -0.75 4.63 5.21 1lc5A1 ASP 148 HB2 0.00 0.02 0.30 -0.04 2.71 2.99 1lc5A1 ASP 148 HB3 -0.01 0.03 0.14 -0.04 2.70 2.81 1lc5A1 CYS 149 H -0.00 0.22 0.36 -0.55 8.50 8.53 1lc5A1 CYS 149 HA -0.12 0.33 0.87 -0.75 4.58 4.90 1lc5A1 CYS 149 HB2 0.02 -0.11 -0.00 -0.04 2.97 2.84 1lc5A1 CYS 149 HB3 -0.50 -0.02 -0.03 -0.04 2.97 2.38 1lc5A1 LEU 150 H -0.27 0.75 0.34 -0.55 8.37 8.64 1lc5A1 LEU 150 HA -0.01 0.18 0.90 -0.75 4.35 4.67 1lc5A1 LEU 150 HB2 -0.06 0.03 -0.08 -0.04 1.64 1.49 1lc5A1 LEU 150 HB3 -0.11 0.02 0.03 -0.04 1.64 1.55 1lc5A1 LEU 150 HG -0.08 -0.06 -0.47 -0.04 1.64 0.99 1lc5A1 LEU 150 HD13 0.01 0.03 -0.12 -0.04 0.93 0.80 1lc5A1 LEU 150 HD23 -0.09 -0.01 -0.17 -0.04 0.89 0.57 1lc5A1 PHE 151 H 0.18 0.64 0.31 -0.55 8.34 8.90 1lc5A1 PHE 151 HA -0.17 0.24 1.04 -0.75 4.62 4.97 1lc5A1 PHE 151 HB2 -0.18 -0.04 0.23 -0.04 3.15 3.12 1lc5A1 PHE 151 HB3 -0.58 -0.07 0.02 -0.04 3.06 2.39 1lc5A1 PHE 151 HD2 -0.23 0.06 -0.09 -0.04 7.28 6.98 1lc5A1 PHE 151 HE2 -0.14 0.01 -0.15 -0.04 7.38 7.07 1lc5A1 PHE 151 HZ -0.16 0.08 -0.16 -0.04 7.32 7.04 1lc5A1 LEU 152 H -0.08 0.76 0.40 -0.55 8.37 8.90 1lc5A1 LEU 152 HA 0.06 0.15 0.88 -0.75 4.35 4.69 1lc5A1 LEU 152 HB2 -0.06 -0.02 -0.00 -0.04 1.64 1.52 1lc5A1 LEU 152 HB3 0.01 -0.01 -0.02 -0.04 1.64 1.58 1lc5A1 LEU 152 HG -0.08 0.04 -0.31 -0.04 1.64 1.25 1lc5A1 LEU 152 HD13 -0.09 -0.01 -0.14 -0.04 0.93 0.66 1lc5A1 LEU 152 HD23 0.00 0.05 -0.15 -0.04 0.89 0.75 1lc5A1 CYS 153 H 0.12 0.25 0.16 -0.55 8.50 8.50 1lc5A1 CYS 153 HA 0.14 0.06 0.99 -0.75 4.58 5.02 1lc5A1 CYS 153 HB2 0.33 -0.01 0.06 -0.04 2.97 3.31 1lc5A1 CYS 153 HB3 0.21 -0.04 0.17 -0.04 2.97 3.27 1lc5A1 THR 154 H 0.13 0.72 0.13 -0.55 8.28 8.71 1lc5A1 THR 154 HA 0.12 0.13 0.88 -0.75 4.39 4.76 1lc5A1 THR 154 HB 0.11 0.04 -0.01 -0.04 4.32 4.41 1lc5A1 THR 154 HG23 0.04 -0.01 -0.36 -0.04 1.22 0.85 1lc5A1 PRO 155 HA 0.12 0.20 0.33 -0.51 4.44 4.58 1lc5A1 PRO 155 HB2 0.06 0.04 -0.49 -0.04 2.28 1.85 1lc5A1 PRO 155 HB3 0.08 0.04 -0.23 -0.04 2.02 1.88 1lc5A1 PRO 155 HG2 0.26 -0.07 -0.18 -0.04 2.03 2.00 1lc5A1 PRO 155 HG3 0.15 0.09 -0.15 -0.04 2.03 2.08 1lc5A1 PRO 155 HD2 0.30 -0.16 0.15 -0.04 3.68 3.93 1lc5A1 PRO 155 HD3 0.19 0.16 0.01 -0.04 3.65 3.97 1lc5A1 ASN 156 H 0.11 0.61 0.09 -0.55 8.53 8.80 1lc5A1 ASN 156 HA 0.17 0.01 0.33 -0.75 4.76 4.52 1lc5A1 ASN 156 HB2 0.12 0.16 0.18 -0.04 2.88 3.30 1lc5A1 ASN 156 HB3 0.08 -0.18 0.05 -0.04 2.79 2.70 1lc5A1 ASN 156 HD21 0.07 0.59 0.04 -0.04 7.03 7.70 1lc5A1 ASN 156 HD22 0.07 -0.03 -0.04 -0.04 7.74 7.69 1lc5A1 ASN 157 H 0.15 0.25 0.20 -0.55 8.53 8.59 1lc5A1 ASN 157 HA -0.08 0.13 0.56 -0.75 4.76 4.61 1lc5A1 ASN 157 HB2 0.01 0.03 -0.02 -0.04 2.88 2.86 1lc5A1 ASN 157 HB3 0.13 -0.09 0.15 -0.04 2.79 2.94 1lc5A1 ASN 157 HD21 0.21 0.02 -0.07 -0.04 7.03 7.15 1lc5A1 ASN 157 HD22 -0.10 -0.05 -0.03 -0.04 7.74 7.52 1lc5A1 PRO 158 HA -0.15 0.02 0.19 -0.51 4.44 3.99 1lc5A1 PRO 158 HB2 -0.27 0.07 -0.08 -0.04 2.28 1.95 1lc5A1 PRO 158 HB3 -0.44 -0.00 -0.08 -0.04 2.02 1.45 1lc5A1 PRO 158 HG2 -0.56 0.08 -0.17 -0.04 2.03 1.34 1lc5A1 PRO 158 HG3 -1.29 0.07 -0.07 -0.04 2.03 0.70 1lc5A1 PRO 158 HD2 -0.35 0.17 -0.19 -0.04 3.68 3.28 1lc5A1 PRO 158 HD3 -0.65 0.12 0.27 -0.04 3.65 3.35 1lc5A1 THR 159 H -0.07 0.13 -0.27 -0.55 8.28 7.52 1lc5A1 THR 159 HA -0.09 0.12 0.21 -0.75 4.39 3.87 1lc5A1 THR 159 HB -0.03 0.10 -0.00 -0.04 4.32 4.34 1lc5A1 THR 159 HG23 -0.21 0.05 -0.06 -0.04 1.22 0.95 1lc5A1 GLY 160 H 0.18 0.51 -0.22 -0.55 8.43 8.35 1lc5A1 GLY 160 HA2 -0.18 0.01 0.20 -0.51 4.01 3.53 1lc5A1 GLY 160 HA3 -0.23 0.12 0.48 -0.51 4.01 3.87 1lc5A1 LEU 161 H 0.05 0.01 -0.42 -0.55 8.37 7.46 1lc5A1 LEU 161 HA 0.02 0.23 0.52 -0.75 4.35 4.37 1lc5A1 LEU 161 HB2 0.08 -0.07 -0.02 -0.04 1.64 1.59 1lc5A1 LEU 161 HB3 0.07 0.04 -0.07 -0.04 1.64 1.64 1lc5A1 LEU 161 HG 0.07 0.01 -0.26 -0.04 1.64 1.42 1lc5A1 LEU 161 HD13 0.14 0.05 -0.21 -0.04 0.93 0.87 1lc5A1 LEU 161 HD23 0.08 0.03 -0.18 -0.04 0.89 0.78 1lc5A1 LEU 162 H 0.04 0.26 0.18 -0.55 8.37 8.30 1lc5A1 LEU 162 HA 0.08 0.07 0.91 -0.75 4.35 4.66 1lc5A1 LEU 162 HB2 0.06 0.00 0.06 -0.04 1.64 1.72 1lc5A1 LEU 162 HB3 0.05 0.00 0.14 -0.04 1.64 1.79 1lc5A1 LEU 162 HG 0.08 0.26 -0.17 -0.04 1.64 1.77 1lc5A1 LEU 162 HD13 0.11 -0.02 -0.09 -0.04 0.93 0.88 1lc5A1 LEU 162 HD23 0.07 -0.02 -0.04 -0.04 0.89 0.86 1lc5A1 PRO 163 HA 0.06 0.05 0.49 -0.51 4.44 4.54 1lc5A1 PRO 163 HB2 0.05 0.01 -0.08 -0.04 2.28 2.23 1lc5A1 PRO 163 HB3 0.05 0.02 0.03 -0.04 2.02 2.08 1lc5A1 PRO 163 HG2 0.06 0.03 0.01 -0.04 2.03 2.09 1lc5A1 PRO 163 HG3 0.08 0.00 0.07 -0.04 2.03 2.14 1lc5A1 PRO 163 HD2 0.08 0.03 0.18 -0.04 3.68 3.93 1lc5A1 PRO 163 HD3 0.09 0.25 0.33 -0.04 3.65 4.28 1lc5A1 GLU 164 H 0.05 0.12 0.17 -0.55 8.60 8.39 1lc5A1 GLU 164 HA 0.04 0.13 0.40 -0.75 4.29 4.11 1lc5A1 GLU 164 HB2 0.03 -0.09 0.13 -0.04 2.09 2.13 1lc5A1 GLU 164 HB3 0.03 -0.01 0.06 -0.04 1.99 2.03 1lc5A1 GLU 164 HG2 0.03 0.07 0.09 -0.04 2.34 2.49 1lc5A1 GLU 164 HG3 0.03 0.05 0.13 -0.04 2.34 2.51 1lc5A1 ARG 165 H 0.04 0.19 0.18 -0.55 8.46 8.32 1lc5A1 ARG 165 HA 0.12 0.08 0.35 -0.75 4.34 4.14 1lc5A1 ARG 165 HB2 0.04 0.05 0.13 -0.04 1.90 2.07 1lc5A1 ARG 165 HB3 0.02 0.03 0.17 -0.04 1.80 1.98 1lc5A1 ARG 165 HG2 -0.03 0.05 -0.02 -0.04 1.67 1.64 1lc5A1 ARG 165 HG3 0.01 -0.02 -0.30 -0.04 1.67 1.32 1lc5A1 ARG 165 HD2 -0.14 0.03 -0.06 -0.04 3.22 3.00 1lc5A1 ARG 165 HD3 0.09 -0.07 0.03 -0.04 3.22 3.23 1lc5A1 PRO 166 HA 0.04 0.11 0.42 -0.51 4.44 4.49 1lc5A1 PRO 166 HB2 0.02 0.02 -0.02 -0.04 2.28 2.25 1lc5A1 PRO 166 HB3 0.02 0.08 0.06 -0.04 2.02 2.13 1lc5A1 PRO 166 HG2 0.01 0.08 0.04 -0.04 2.03 2.13 1lc5A1 PRO 166 HG3 0.01 0.09 0.03 -0.04 2.03 2.11 1lc5A1 PRO 166 HD2 0.03 0.05 0.02 -0.04 3.68 3.74 1lc5A1 PRO 166 HD3 0.02 0.10 0.15 -0.04 3.65 3.88 1lc5A1 LEU 167 H 0.04 0.18 -0.51 -0.55 8.37 7.53 1lc5A1 LEU 167 HA 0.01 0.06 0.42 -0.75 4.35 4.09 1lc5A1 LEU 167 HB2 0.02 -0.04 0.02 -0.04 1.64 1.59 1lc5A1 LEU 167 HB3 0.03 0.15 0.05 -0.04 1.64 1.83 1lc5A1 LEU 167 HG -0.01 0.04 -0.37 -0.04 1.64 1.25 1lc5A1 LEU 167 HD13 -0.03 -0.01 -0.10 -0.04 0.93 0.74 1lc5A1 LEU 167 HD23 0.01 -0.02 -0.26 -0.04 0.89 0.58 1lc5A1 LEU 168 H 0.08 0.54 -0.12 -0.55 8.37 8.33 1lc5A1 LEU 168 HA -0.02 0.01 0.28 -0.75 4.35 3.86 1lc5A1 LEU 168 HB2 0.28 0.10 0.07 -0.04 1.64 2.05 1lc5A1 LEU 168 HB3 -0.05 -0.03 -0.06 -0.04 1.64 1.47 1lc5A1 LEU 168 HG 0.07 0.10 -0.19 -0.04 1.64 1.59 1lc5A1 LEU 168 HD13 0.14 -0.01 -0.12 -0.04 0.93 0.90 1lc5A1 LEU 168 HD23 -0.05 -0.02 -0.12 -0.04 0.89 0.67 1lc5A1 GLN 169 H 0.15 0.54 -0.25 -0.55 8.47 8.37 1lc5A1 GLN 169 HA 0.26 0.04 0.36 -0.75 4.36 4.26 1lc5A1 GLN 169 HB2 0.11 0.01 0.04 -0.04 2.15 2.27 1lc5A1 GLN 169 HB3 0.07 0.08 0.09 -0.04 2.02 2.22 1lc5A1 GLN 169 HG2 0.03 -0.01 -0.04 -0.04 2.40 2.34 1lc5A1 GLN 169 HG3 0.06 -0.00 -0.18 -0.04 2.39 2.22 1lc5A1 GLN 169 HE21 0.05 0.03 -0.04 -0.04 6.97 6.96 1lc5A1 GLN 169 HE22 -0.00 -0.01 -0.04 -0.04 7.69 7.60 1lc5A1 ALA 170 H 0.04 0.48 -0.22 -0.55 8.40 8.15 1lc5A1 ALA 170 HA 0.01 0.03 0.43 -0.75 4.34 4.06 1lc5A1 ALA 170 HB3 -0.00 0.01 0.10 -0.04 1.41 1.48 1lc5A1 ILE 171 H -0.01 0.61 -0.18 -0.55 8.25 8.12 1lc5A1 ILE 171 HA -0.06 0.03 0.43 -0.75 4.18 3.82 1lc5A1 ILE 171 HB -0.07 0.08 0.08 -0.04 1.89 1.93 1lc5A1 ILE 171 HG12 -0.12 -0.02 -0.11 -0.04 1.49 1.20 1lc5A1 ILE 171 HG13 -0.06 0.06 -0.04 -0.04 1.21 1.12 1lc5A1 ILE 171 HG23 -0.10 -0.00 -0.22 -0.04 0.93 0.57 1lc5A1 ILE 171 HD13 -0.09 -0.03 -0.20 -0.04 0.88 0.52 1lc5A1 ALA 172 H -0.01 0.69 -0.10 -0.55 8.40 8.43 1lc5A1 ALA 172 HA 0.03 0.02 0.35 -0.75 4.34 3.99 1lc5A1 ALA 172 HB3 0.04 0.02 0.06 -0.04 1.41 1.48 1lc5A1 ASP 173 H 0.04 0.55 -0.24 -0.55 8.40 8.21 1lc5A1 ASP 173 HA 0.02 0.03 0.45 -0.75 4.63 4.37 1lc5A1 ASP 173 HB2 0.01 0.07 0.15 -0.04 2.71 2.90 1lc5A1 ASP 173 HB3 -0.00 -0.05 0.02 -0.04 2.70 2.63 1lc5A1 ARG 174 H -0.01 0.54 -0.14 -0.55 8.46 8.30 1lc5A1 ARG 174 HA -0.04 0.01 0.46 -0.75 4.34 4.02 1lc5A1 ARG 174 HB2 -0.04 -0.02 0.10 -0.04 1.90 1.90 1lc5A1 ARG 174 HB3 -0.04 0.05 0.12 -0.04 1.80 1.89 1lc5A1 ARG 174 HG2 -0.06 0.04 -0.03 -0.04 1.67 1.59 1lc5A1 ARG 174 HG3 -0.05 0.01 -0.23 -0.04 1.67 1.36 1lc5A1 ARG 174 HD2 -0.04 -0.05 0.05 -0.04 3.22 3.14 1lc5A1 ARG 174 HD3 -0.04 -0.06 -0.01 -0.04 3.22 3.08 1lc5A1 CYS 175 H -0.01 0.66 -0.15 -0.55 8.50 8.45 1lc5A1 CYS 175 HA -0.03 0.02 0.34 -0.75 4.58 4.16 1lc5A1 CYS 175 HB2 0.11 0.05 0.08 -0.04 2.97 3.18 1lc5A1 CYS 175 HB3 0.12 0.30 -0.08 -0.04 2.97 3.28 1lc5A1 LYS 176 H -0.12 0.47 -0.27 -0.55 8.42 7.95 1lc5A1 LYS 176 HA -0.75 0.00 0.42 -0.75 4.32 3.25 1lc5A1 LYS 176 HB2 -0.46 0.04 0.14 -0.04 1.87 1.55 1lc5A1 LYS 176 HB3 -0.17 0.12 0.18 -0.04 1.79 1.88 1lc5A1 LYS 176 HG2 -0.18 -0.00 -0.13 -0.04 1.46 1.11 1lc5A1 LYS 176 HG3 -0.40 -0.06 0.07 -0.04 1.46 1.03 1lc5A1 LYS 176 HD2 -0.03 -0.01 0.04 -0.04 1.69 1.65 1lc5A1 LYS 176 HD3 -0.07 -0.03 0.02 -0.04 1.68 1.57 1lc5A1 LYS 176 HE2 -0.06 -0.04 0.02 -0.04 2.99 2.87 1lc5A1 LYS 176 HE3 -0.05 -0.03 0.07 -0.04 2.99 2.94 1lc5A1 SER 177 H -0.10 0.46 -0.16 -0.55 8.46 8.11 1lc5A1 SER 177 HA -0.07 -0.01 0.37 -0.75 4.49 4.02 1lc5A1 SER 177 HB2 -0.05 0.11 0.17 -0.04 3.95 4.14 1lc5A1 SER 177 HB3 -0.04 -0.07 0.03 -0.04 3.93 3.81 1lc5A1 LEU 178 H -0.07 0.45 -0.27 -0.55 8.37 7.93 1lc5A1 LEU 178 HA -0.04 0.08 0.67 -0.75 4.35 4.31 1lc5A1 LEU 178 HB2 -0.04 0.03 -0.10 -0.04 1.64 1.49 1lc5A1 LEU 178 HB3 -0.03 -0.02 -0.07 -0.04 1.64 1.49 1lc5A1 LEU 178 HG -0.04 0.08 -0.08 -0.04 1.64 1.56 1lc5A1 LEU 178 HD13 -0.03 -0.06 -0.33 -0.04 0.93 0.47 1lc5A1 LEU 178 HD23 -0.03 -0.02 -0.13 -0.04 0.89 0.67 1lc5A1 ASN 179 H -0.08 0.28 -0.47 -0.55 8.53 7.71 1lc5A1 ASN 179 HA -0.06 -0.03 0.30 -0.75 4.76 4.21 1lc5A1 ASN 179 HB2 -0.02 0.22 0.08 -0.04 2.88 3.12 1lc5A1 ASN 179 HB3 -0.02 -0.10 0.17 -0.04 2.79 2.80 1lc5A1 ASN 179 HD21 -0.03 -0.07 -0.06 -0.04 7.03 6.84 1lc5A1 ASN 179 HD22 -0.02 0.06 -0.16 -0.04 7.74 7.58 1lc5A1 ILE 180 H -0.03 0.60 -0.01 -0.55 8.25 8.26 1lc5A1 ILE 180 HA -0.00 0.32 0.75 -0.75 4.18 4.49 1lc5A1 ILE 180 HB -0.01 -0.17 -0.06 -0.04 1.89 1.60 1lc5A1 ILE 180 HG12 -0.02 0.28 -0.23 -0.04 1.49 1.48 1lc5A1 ILE 180 HG13 -0.02 0.06 -0.47 -0.04 1.21 0.73 1lc5A1 ILE 180 HG23 -0.04 -0.02 -0.49 -0.04 0.93 0.34 1lc5A1 ILE 180 HD13 -0.03 -0.04 -0.22 -0.04 0.88 0.56 1lc5A1 ASN 181 H -0.00 0.72 0.23 -0.55 8.53 8.93 1lc5A1 ASN 181 HA 0.16 0.18 0.70 -0.75 4.76 5.04 1lc5A1 ASN 181 HB2 -0.11 -0.02 0.25 -0.04 2.88 2.95 1lc5A1 ASN 181 HB3 0.02 -0.06 -0.02 -0.04 2.79 2.69 1lc5A1 ASN 181 HD21 0.05 -0.04 0.05 -0.04 7.03 7.04 1lc5A1 ASN 181 HD22 -0.03 0.25 0.16 -0.04 7.74 8.09 1lc5A1 LEU 182 H 0.02 0.63 0.31 -0.55 8.37 8.79 1lc5A1 LEU 182 HA -0.16 0.17 0.87 -0.75 4.35 4.47 1lc5A1 LEU 182 HB2 -0.06 0.06 -0.07 -0.04 1.64 1.53 1lc5A1 LEU 182 HB3 -0.20 -0.04 0.12 -0.04 1.64 1.48 1lc5A1 LEU 182 HG -0.22 -0.07 -0.35 -0.04 1.64 0.95 1lc5A1 LEU 182 HD13 -0.15 0.03 -0.13 -0.04 0.93 0.64 1lc5A1 LEU 182 HD23 -0.26 -0.02 -0.14 -0.04 0.89 0.43 1lc5A1 ILE 183 H -0.35 0.79 0.38 -0.55 8.25 8.52 1lc5A1 ILE 183 HA -0.04 0.23 1.01 -0.75 4.18 4.62 1lc5A1 ILE 183 HB -0.82 -0.05 0.17 -0.04 1.89 1.14 1lc5A1 ILE 183 HG12 -0.55 -0.02 -0.13 -0.04 1.49 0.75 1lc5A1 ILE 183 HG13 -0.32 0.06 -0.22 -0.04 1.21 0.68 1lc5A1 ILE 183 HG23 -0.00 -0.03 -0.17 -0.04 0.93 0.69 1lc5A1 ILE 183 HD13 -0.94 0.01 -0.23 -0.04 0.88 -0.32 1lc5A1 LEU 184 H -0.04 0.86 0.42 -0.55 8.37 9.06 1lc5A1 LEU 184 HA -0.07 0.21 0.94 -0.75 4.35 4.68 1lc5A1 LEU 184 HB2 -0.06 -0.03 0.22 -0.04 1.64 1.72 1lc5A1 LEU 184 HB3 -0.06 -0.04 -0.02 -0.04 1.64 1.48 1lc5A1 LEU 184 HG -0.24 0.08 -0.21 -0.04 1.64 1.23 1lc5A1 LEU 184 HD13 -0.64 -0.01 -0.09 -0.04 0.93 0.15 1lc5A1 LEU 184 HD23 -0.23 0.02 -0.17 -0.04 0.89 0.47 1lc5A1 ASP 185 H 0.02 0.81 0.42 -0.55 8.40 9.10 1lc5A1 ASP 185 HA 0.06 0.06 0.83 -0.75 4.63 4.82 1lc5A1 ASP 185 HB2 0.10 0.10 0.11 -0.04 2.71 2.97 1lc5A1 ASP 185 HB3 0.18 -0.07 0.34 -0.04 2.70 3.12 1lc5A1 GLU 186 H 0.04 0.66 0.35 -0.55 8.60 9.11 1lc5A1 GLU 186 HA 0.12 0.41 0.85 -0.75 4.29 4.92 1lc5A1 GLU 186 HB2 0.03 0.20 0.21 -0.04 2.09 2.49 1lc5A1 GLU 186 HB3 0.08 -0.08 0.27 -0.04 1.99 2.21 1lc5A1 GLU 186 HG2 0.11 0.15 0.06 -0.04 2.34 2.61 1lc5A1 GLU 186 HG3 0.07 -0.02 -0.14 -0.04 2.34 2.20 1lc5A1 ALA 187 H 0.07 0.12 -0.40 -0.55 8.40 7.64 1lc5A1 ALA 187 HA -0.08 -0.09 0.38 -0.75 4.34 3.79 1lc5A1 ALA 187 HB3 -0.17 0.00 -0.01 -0.04 1.41 1.19 1lc5A1 PHE 188 H 0.30 0.20 -0.36 -0.55 8.34 7.93 1lc5A1 PHE 188 HA 0.42 0.13 0.86 -0.75 4.62 5.27 1lc5A1 PHE 188 HB2 0.26 0.14 -0.05 -0.04 3.15 3.46 1lc5A1 PHE 188 HB3 0.34 -0.01 0.09 -0.04 3.06 3.44 1lc5A1 PHE 188 HD2 0.25 0.02 -0.07 -0.04 7.28 7.44 1lc5A1 PHE 188 HE2 0.02 0.08 -0.05 -0.04 7.38 7.39 1lc5A1 PHE 188 HZ -0.09 -0.03 -0.06 -0.04 7.32 7.10 1lc5A1 ILE 189 H 0.19 0.48 -0.14 -0.55 8.25 8.24 1lc5A1 ILE 189 HA 0.23 0.08 0.28 -0.75 4.18 4.02 1lc5A1 ILE 189 HB 0.15 0.05 0.23 -0.04 1.89 2.28 1lc5A1 ILE 189 HG12 0.11 0.12 0.03 -0.04 1.49 1.71 1lc5A1 ILE 189 HG13 0.14 -0.02 0.02 -0.04 1.21 1.31 1lc5A1 ILE 189 HG23 0.10 0.03 -0.09 -0.04 0.93 0.93 1lc5A1 ILE 189 HD13 0.12 -0.01 -0.06 -0.04 0.88 0.89 1lc5A1 ASP 190 H 0.08 0.07 -0.30 -0.55 8.40 7.70 1lc5A1 ASP 190 HA -0.04 0.16 0.30 -0.75 4.63 4.30 1lc5A1 ASP 190 HB2 -0.69 -0.06 -0.04 -0.04 2.71 1.88 1lc5A1 ASP 190 HB3 -1.20 0.03 0.03 -0.04 2.70 1.51 1lc5A1 PHE 191 H 0.43 0.27 -0.36 -0.55 8.34 8.14 1lc5A1 PHE 191 HA 0.67 0.07 0.50 -0.75 4.62 5.11 1lc5A1 PHE 191 HB2 0.31 0.11 0.11 -0.04 3.15 3.64 1lc5A1 PHE 191 HB3 0.29 0.04 0.12 -0.04 3.06 3.47 1lc5A1 PHE 191 HD2 0.45 0.10 0.05 -0.04 7.28 7.85 1lc5A1 PHE 191 HE2 0.32 -0.04 -0.03 -0.04 7.38 7.60 1lc5A1 PHE 191 HZ 0.25 0.08 -0.27 -0.04 7.32 7.33 1lc5A1 ILE 192 H 0.26 0.49 -0.45 -0.55 8.25 7.99 1lc5A1 ILE 192 HA 0.11 0.17 0.78 -0.75 4.18 4.49 1lc5A1 ILE 192 HB 0.10 0.01 0.23 -0.04 1.89 2.19 1lc5A1 ILE 192 HG12 0.14 0.34 -0.19 -0.04 1.49 1.73 1lc5A1 ILE 192 HG13 0.24 -0.04 -0.09 -0.04 1.21 1.27 1lc5A1 ILE 192 HG23 0.06 -0.02 0.02 -0.04 0.93 0.95 1lc5A1 ILE 192 HD13 0.10 -0.04 -0.09 -0.04 0.88 0.81 1lc5A1 PRO 193 HA -0.59 0.13 0.39 -0.51 4.44 3.86 1lc5A1 PRO 193 HB2 -1.04 0.00 -0.02 -0.04 2.28 1.18 1lc5A1 PRO 193 HB3 -2.01 0.02 0.10 -0.04 2.02 0.09 1lc5A1 PRO 193 HG2 -0.28 -0.07 0.08 -0.04 2.03 1.72 1lc5A1 PRO 193 HG3 -0.34 0.03 0.08 -0.04 2.03 1.76 1lc5A1 PRO 193 HD2 -0.01 0.14 0.30 -0.04 3.68 4.07 1lc5A1 PRO 193 HD3 -0.09 0.22 -0.02 -0.04 3.65 3.71 1lc5A1 HIS 194 H -0.12 0.10 -0.21 -0.55 8.41 7.63 1lc5A1 HIS 194 HA -0.13 0.18 0.66 -0.75 4.63 4.59 1lc5A1 HIS 194 HB2 -0.07 -0.00 0.04 -0.04 3.26 3.19 1lc5A1 HIS 194 HB3 -0.07 -0.02 0.15 -0.04 3.20 3.23 1lc5A1 HIS 194 HD2 -0.10 0.03 0.01 -0.04 6.97 6.86 1lc5A1 HIS 194 HE1 -0.08 -0.01 -0.03 -0.04 7.75 7.59 1lc5A1 GLU 195 H -0.04 0.56 -0.35 -0.55 8.60 8.22 1lc5A1 GLU 195 HA 0.02 0.06 0.89 -0.75 4.29 4.51 1lc5A1 GLU 195 HB2 0.05 0.27 0.19 -0.04 2.09 2.55 1lc5A1 GLU 195 HB3 0.06 -0.15 0.02 -0.04 1.99 1.88 1lc5A1 GLU 195 HG2 0.05 -0.05 -0.09 -0.04 2.34 2.21 1lc5A1 GLU 195 HG3 0.07 -0.02 0.01 -0.04 2.34 2.35 1lc5A1 THR 196 H -0.00 0.12 0.16 -0.55 8.28 8.00 1lc5A1 THR 196 HA 0.02 0.23 0.70 -0.75 4.39 4.58 1lc5A1 THR 196 HB -0.01 -0.01 0.06 -0.04 4.32 4.33 1lc5A1 THR 196 HG23 -0.02 0.02 -0.04 -0.04 1.22 1.14 1lc5A1 GLY 197 H 0.04 -0.02 -0.06 -0.55 8.43 7.84 1lc5A1 GLY 197 HA2 0.17 0.01 0.28 -0.51 4.01 3.96 1lc5A1 GLY 197 HA3 0.12 0.10 0.55 -0.51 4.01 4.26 1lc5A1 PHE 198 H 0.27 0.10 0.11 -0.55 8.34 8.27 1lc5A1 PHE 198 HA -0.00 0.26 0.80 -0.75 4.62 4.92 1lc5A1 PHE 198 HB2 -0.03 -0.02 0.01 -0.04 3.15 3.07 1lc5A1 PHE 198 HB3 -0.05 0.05 -0.04 -0.04 3.06 2.97 1lc5A1 PHE 198 HD2 -0.03 -0.04 -0.14 -0.04 7.28 7.03 1lc5A1 PHE 198 HE2 -0.01 0.01 -0.12 -0.04 7.38 7.22 1lc5A1 PHE 198 HZ -0.01 -0.05 -0.32 -0.04 7.32 6.90 1lc5A1 ILE 199 H 0.08 0.13 -0.07 -0.55 8.25 7.84 1lc5A1 ILE 199 HA 0.06 0.04 0.38 -0.75 4.18 3.90 1lc5A1 ILE 199 HB 0.03 0.11 0.05 -0.04 1.89 2.03 1lc5A1 ILE 199 HG12 -0.03 0.01 -0.03 -0.04 1.49 1.39 1lc5A1 ILE 199 HG13 -0.00 -0.13 0.01 -0.04 1.21 1.04 1lc5A1 ILE 199 HG23 0.01 0.02 -0.14 -0.04 0.93 0.77 1lc5A1 ILE 199 HD13 -0.37 0.01 -0.09 -0.04 0.88 0.39 1lc5A1 PRO 200 HA 0.06 0.15 0.37 -0.51 4.44 4.51 1lc5A1 PRO 200 HB2 -0.04 0.00 -0.09 -0.04 2.28 2.11 1lc5A1 PRO 200 HB3 0.00 0.04 0.06 -0.04 2.02 2.08 1lc5A1 PRO 200 HG2 -0.00 0.03 -0.04 -0.04 2.03 1.97 1lc5A1 PRO 200 HG3 0.04 0.09 -0.02 -0.04 2.03 2.10 1lc5A1 PRO 200 HD2 -0.02 0.20 -0.37 -0.04 3.68 3.46 1lc5A1 PRO 200 HD3 0.06 0.06 -0.06 -0.04 3.65 3.66 1lc5A1 ALA 201 H 0.00 0.47 -0.59 -0.55 8.40 7.73 1lc5A1 ALA 201 HA 0.00 0.17 0.89 -0.75 4.34 4.65 1lc5A1 ALA 201 HB3 -0.07 0.00 0.02 -0.04 1.41 1.33 1lc5A1 LEU 202 H 0.06 0.45 -0.14 -0.55 8.37 8.19 1lc5A1 LEU 202 HA -0.13 0.15 0.46 -0.75 4.35 4.07 1lc5A1 LEU 202 HB2 -0.02 0.07 0.02 -0.04 1.64 1.67 1lc5A1 LEU 202 HB3 -0.42 -0.09 0.01 -0.04 1.64 1.10 1lc5A1 LEU 202 HG 0.02 0.13 0.07 -0.04 1.64 1.82 1lc5A1 LEU 202 HD13 -0.06 -0.03 -0.16 -0.04 0.93 0.64 1lc5A1 LEU 202 HD23 -0.11 0.01 -0.18 -0.04 0.89 0.57 1lc5A1 LYS 203 H 0.13 0.18 -0.26 -0.55 8.42 7.91 1lc5A1 LYS 203 HA 0.04 0.04 0.29 -0.75 4.32 3.94 1lc5A1 ASP 204 H 0.00 0.18 -0.33 -0.55 8.40 7.71 1lc5A1 ASP 204 HA -0.02 0.21 0.88 -0.75 4.63 4.96 1lc5A1 ASN 205 H -0.13 0.58 -0.51 -0.55 8.53 7.92 1lc5A1 ASN 205 HA 0.09 0.17 0.86 -0.75 4.76 5.13 1lc5A1 ASN 205 HB2 -0.08 0.09 0.13 -0.04 2.88 2.99 1lc5A1 ASN 205 HB3 -0.14 -0.11 0.12 -0.04 2.79 2.62 1lc5A1 ASN 205 HD21 0.06 -0.08 -0.09 -0.04 7.03 6.87 1lc5A1 ASN 205 HD22 0.03 0.60 0.02 -0.04 7.74 8.34 1lc5A1 PRO 206 HA -0.41 -0.00 0.46 -0.51 4.44 3.97 1lc5A1 PRO 206 HB2 -0.15 -0.01 0.03 -0.04 2.28 2.10 1lc5A1 PRO 206 HB3 -0.23 0.04 -0.05 -0.04 2.02 1.74 1lc5A1 PRO 206 HG2 -0.03 0.07 -0.01 -0.04 2.03 2.02 1lc5A1 PRO 206 HG3 -0.07 0.04 0.01 -0.04 2.03 1.97 1lc5A1 PRO 206 HD2 0.00 0.19 -0.00 -0.04 3.68 3.83 1lc5A1 PRO 206 HD3 -0.10 0.18 -0.11 -0.04 3.65 3.58 1lc5A1 HIS 207 H 0.16 0.07 -0.48 -0.55 8.41 7.62 1lc5A1 HIS 207 HA -0.01 0.15 0.63 -0.75 4.63 4.65 1lc5A1 HIS 207 HB2 -0.00 0.14 0.02 -0.04 3.26 3.38 1lc5A1 HIS 207 HB3 -0.03 -0.00 -0.02 -0.04 3.20 3.10 1lc5A1 HIS 207 HD2 -0.04 0.19 -0.14 -0.04 6.97 6.93 1lc5A1 HIS 207 HE1 -0.03 -0.01 -0.02 -0.04 7.75 7.64 1lc5A1 ILE 208 H -0.50 0.39 -0.13 -0.55 8.25 7.46 1lc5A1 ILE 208 HA -0.25 0.26 0.95 -0.75 4.18 4.38 1lc5A1 ILE 208 HB -0.32 0.08 0.11 -0.04 1.89 1.72 1lc5A1 ILE 208 HG12 -0.57 0.01 -0.05 -0.04 1.49 0.84 1lc5A1 ILE 208 HG13 -1.17 -0.08 -0.07 -0.04 1.21 -0.15 1lc5A1 ILE 208 HG23 -0.20 -0.03 -0.14 -0.04 0.93 0.52 1lc5A1 ILE 208 HD13 -0.10 -0.01 -0.05 -0.04 0.88 0.68 1lc5A1 TRP 209 H 0.06 0.75 0.45 -0.55 7.97 8.68 1lc5A1 TRP 209 HA -0.12 0.32 1.02 -0.75 4.62 5.09 1lc5A1 TRP 209 HB2 -0.16 -0.10 0.12 -0.04 3.23 3.06 1lc5A1 TRP 209 HB3 -0.08 -0.05 -0.03 -0.04 3.23 3.03 1lc5A1 TRP 209 HD1 -0.18 0.11 -0.25 -0.04 7.22 6.86 1lc5A1 TRP 209 HE1 -0.09 0.05 -0.11 -0.04 10.20 10.00 1lc5A1 TRP 209 HE3 -0.04 -0.06 -0.14 -0.04 7.59 7.31 1lc5A1 TRP 209 HZ2 -0.06 0.01 -0.08 -0.04 7.44 7.27 1lc5A1 TRP 209 HZ3 -0.02 -0.01 -0.19 -0.04 7.13 6.87 1lc5A1 TRP 209 HH2 -0.03 -0.05 -0.30 -0.04 7.19 6.76 1lc5A1 VAL 210 H 0.03 0.69 0.36 -0.55 8.24 8.77 1lc5A1 VAL 210 HA 0.02 0.23 1.20 -0.75 4.13 4.83 1lc5A1 VAL 210 HB -0.00 0.02 0.11 -0.04 2.12 2.21 1lc5A1 VAL 210 HG13 0.00 -0.02 -0.10 -0.04 0.97 0.80 1lc5A1 VAL 210 HG23 0.02 -0.01 -0.19 -0.04 0.95 0.73 1lc5A1 LEU 211 H 0.02 0.65 0.43 -0.55 8.37 8.92 1lc5A1 LEU 211 HA -0.01 0.29 0.99 -0.75 4.35 4.87 1lc5A1 LEU 211 HB2 0.04 -0.15 0.23 -0.04 1.64 1.72 1lc5A1 LEU 211 HB3 0.03 -0.06 0.02 -0.04 1.64 1.59 1lc5A1 LEU 211 HG 0.08 0.05 -0.24 -0.04 1.64 1.49 1lc5A1 LEU 211 HD13 0.12 -0.01 -0.15 -0.04 0.93 0.85 1lc5A1 LEU 211 HD23 0.09 0.04 -0.20 -0.04 0.89 0.77 1lc5A1 ARG 212 H -0.26 0.74 0.40 -0.55 8.46 8.79 1lc5A1 ARG 212 HA -0.16 0.15 0.77 -0.75 4.34 4.34 1lc5A1 ARG 212 HB2 -1.67 -0.01 -0.04 -0.04 1.90 0.14 1lc5A1 ARG 212 HB3 -0.46 0.03 -0.04 -0.04 1.80 1.30 1lc5A1 ARG 212 HG2 -0.28 -0.02 -0.51 -0.04 1.67 0.82 1lc5A1 ARG 212 HG3 -0.27 0.07 -0.17 -0.04 1.67 1.26 1lc5A1 ARG 212 HD2 -0.06 0.04 0.02 -0.04 3.22 3.18 1lc5A1 ARG 212 HD3 -0.01 -0.01 -0.09 -0.04 3.22 3.06 1lc5A1 SER 213 H -0.09 0.40 0.22 -0.55 8.46 8.45 1lc5A1 SER 213 HA -0.01 0.10 1.14 -0.75 4.49 4.97 1lc5A1 SER 213 HB2 -0.08 -0.01 0.04 -0.04 3.95 3.85 1lc5A1 SER 213 HB3 -0.11 0.19 0.21 -0.04 3.93 4.18 1lc5A1 LEU 214 H 0.09 0.62 0.36 -0.55 8.37 8.90 1lc5A1 LEU 214 HA 0.29 0.25 0.89 -0.75 4.35 5.03 1lc5A1 LEU 214 HB2 0.09 0.07 0.04 -0.04 1.64 1.81 1lc5A1 LEU 214 HB3 0.12 -0.02 0.04 -0.04 1.64 1.74 1lc5A1 LEU 214 HG 0.18 0.06 -0.04 -0.04 1.64 1.79 1lc5A1 LEU 214 HD13 0.25 -0.02 -0.24 -0.04 0.93 0.88 1lc5A1 LEU 214 HD23 -0.25 0.02 -0.07 -0.04 0.89 0.55 1lc5A1 THR 215 H 0.06 0.06 0.09 -0.55 8.28 7.94 1lc5A1 THR 215 HA 0.08 0.05 0.12 -0.75 4.39 3.88 1lc5A1 THR 215 HB 0.04 0.01 -0.07 -0.04 4.32 4.26 1lc5A1 THR 215 HG23 0.03 0.11 0.08 -0.04 1.22 1.40 1lc5A1 LYS 216 H 0.04 0.08 -0.08 -0.55 8.42 7.91 1lc5A1 LYS 216 HA 0.18 0.12 0.55 -0.75 4.32 4.42 1lc5A1 LYS 216 HB2 0.32 0.05 0.10 -0.04 1.87 2.30 1lc5A1 LYS 216 HB3 0.32 0.29 0.16 -0.04 1.79 2.51 1lc5A1 LYS 216 HG2 -0.14 -0.21 0.09 -0.04 1.46 1.16 1lc5A1 LYS 216 HG3 -0.76 0.10 -0.02 -0.04 1.46 0.73 1lc5A1 LYS 216 HD2 -0.03 0.13 -0.01 -0.04 1.69 1.75 1lc5A1 LYS 216 HD3 -0.00 -0.05 -0.06 -0.04 1.68 1.52 1lc5A1 LYS 216 HE2 -0.16 -0.13 -0.00 -0.04 2.99 2.66 1lc5A1 LYS 216 HE3 -0.42 0.02 -0.04 -0.04 2.99 2.50 1lc5A1 PHE 217 H 0.19 0.08 -0.12 -0.55 8.34 7.94 1lc5A1 PHE 217 HA -0.20 0.13 0.39 -0.75 4.62 4.19 1lc5A1 PHE 217 HB2 -0.47 -0.03 0.07 -0.04 3.15 2.68 1lc5A1 PHE 217 HB3 -0.41 0.02 0.03 -0.04 3.06 2.66 1lc5A1 PHE 217 HD2 -1.94 -0.05 -0.19 -0.04 7.28 5.06 1lc5A1 PHE 217 HE2 -0.40 0.03 -0.11 -0.04 7.38 6.85 1lc5A1 PHE 217 HZ -1.28 0.04 0.04 -0.04 7.32 6.08 1lc5A1 TYR 218 H 0.20 0.32 -0.19 -0.55 8.29 8.07 1lc5A1 TYR 218 HA -0.14 0.19 0.79 -0.75 4.56 4.65 1lc5A1 TYR 218 HB2 -0.06 0.14 0.07 -0.04 3.06 3.16 1lc5A1 TYR 218 HB3 -0.33 -0.06 0.13 -0.04 2.98 2.68 1lc5A1 TYR 218 HD2 -0.22 -0.04 0.05 -0.04 7.15 6.90 1lc5A1 TYR 218 HE2 0.09 0.05 -0.04 -0.04 6.85 6.91 1lc5A1 ALA 219 H 0.14 0.16 -0.43 -0.55 8.40 7.72 1lc5A1 ALA 219 HA 0.08 0.04 0.43 -0.75 4.34 4.14 1lc5A1 ALA 219 HB3 0.09 0.04 0.06 -0.04 1.41 1.55 1lc5A1 ILE 220 H 0.05 0.16 -0.05 -0.55 8.25 7.85 1lc5A1 ILE 220 HA -0.02 0.30 0.97 -0.75 4.18 4.68 1lc5A1 ILE 220 HB -0.03 -0.12 0.13 -0.04 1.89 1.84 1lc5A1 ILE 220 HG12 0.04 0.13 -0.23 -0.04 1.49 1.39 1lc5A1 ILE 220 HG13 0.03 -0.18 -0.20 -0.04 1.21 0.82 1lc5A1 ILE 220 HG23 -0.09 0.10 -0.17 -0.04 0.93 0.72 1lc5A1 ILE 220 HD13 -0.04 -0.00 -0.12 -0.04 0.88 0.68 1lc5A1 PRO 221 HA 0.02 -0.08 0.45 -0.51 4.44 4.32 1lc5A1 PRO 221 HB2 0.02 0.08 -0.04 -0.04 2.28 2.30 1lc5A1 PRO 221 HB3 0.03 -0.04 0.02 -0.04 2.02 1.99 1lc5A1 PRO 221 HG2 0.02 0.06 -0.02 -0.04 2.03 2.04 1lc5A1 PRO 221 HG3 0.04 0.08 -0.02 -0.04 2.03 2.08 1lc5A1 PRO 221 HD2 0.02 0.31 -0.38 -0.04 3.68 3.59 1lc5A1 PRO 221 HD3 0.05 0.27 0.08 -0.04 3.65 4.00 1lc5A1 GLY 222 H 0.00 0.17 -0.32 -0.55 8.43 7.74 1lc5A1 GLY 222 HA2 0.01 0.13 0.49 -0.51 4.01 4.12 1lc5A1 GLY 222 HA3 -0.00 0.06 0.23 -0.51 4.01 3.79 1lc5A1 LEU 223 H -0.00 0.28 -0.32 -0.55 8.37 7.78 1lc5A1 LEU 223 HA -0.00 0.16 0.69 -0.75 4.35 4.43 1lc5A1 LEU 223 HB2 -0.01 0.09 0.08 -0.04 1.64 1.76 1lc5A1 LEU 223 HB3 -0.01 -0.05 -0.11 -0.04 1.64 1.42 1lc5A1 LEU 223 HG -0.03 0.00 -0.08 -0.04 1.64 1.50 1lc5A1 LEU 223 HD13 -0.04 -0.00 -0.14 -0.04 0.93 0.71 1lc5A1 LEU 223 HD23 -0.02 -0.01 -0.07 -0.04 0.89 0.75 1lc5A1 ARG 224 H 0.01 0.17 -0.14 -0.55 8.46 7.95 1lc5A1 ARG 224 HA 0.02 -0.09 0.34 -0.75 4.34 3.86 1lc5A1 ARG 224 HB2 0.02 0.11 0.30 -0.04 1.90 2.30 1lc5A1 ARG 224 HB3 0.02 -0.05 -0.32 -0.04 1.80 1.41 1lc5A1 ARG 224 HG2 0.01 0.08 -0.73 -0.04 1.67 1.00 1lc5A1 ARG 224 HG3 0.02 0.03 -0.12 -0.04 1.67 1.56 1lc5A1 ARG 224 HD2 0.02 0.33 -0.00 -0.04 3.22 3.52 1lc5A1 ARG 224 HD3 0.01 0.02 -0.06 -0.04 3.22 3.15 1lc5A1 LEU 225 H 0.03 0.08 0.14 -0.55 8.37 8.08 1lc5A1 LEU 225 HA 0.04 0.35 0.82 -0.75 4.35 4.81 1lc5A1 LEU 225 HB2 0.01 0.12 -0.26 -0.04 1.64 1.48 1lc5A1 LEU 225 HB3 0.03 -0.13 0.01 -0.04 1.64 1.51 1lc5A1 LEU 225 HG 0.10 -0.03 -0.21 -0.04 1.64 1.46 1lc5A1 LEU 225 HD13 0.01 0.04 0.01 -0.04 0.93 0.95 1lc5A1 LEU 225 HD23 -0.02 0.06 -0.06 -0.04 0.89 0.83 1lc5A1 GLY 226 H 0.09 0.74 0.23 -0.55 8.43 8.94 1lc5A1 GLY 226 HA2 0.10 0.01 0.63 -0.51 4.01 4.25 1lc5A1 GLY 226 HA3 0.05 -0.07 0.33 -0.51 4.01 3.82 1lc5A1 TYR 227 H -0.12 0.59 0.37 -0.55 8.29 8.58 1lc5A1 TYR 227 HA 0.06 0.18 0.63 -0.75 4.56 4.68 1lc5A1 TYR 227 HB2 0.06 0.10 -0.13 -0.04 3.06 3.05 1lc5A1 TYR 227 HB3 0.07 0.04 -0.09 -0.04 2.98 2.96 1lc5A1 TYR 227 HD2 0.05 0.00 -0.44 -0.04 7.15 6.73 1lc5A1 TYR 227 HE2 0.04 0.02 -0.22 -0.04 6.85 6.66 1lc5A1 LEU 228 H 0.21 0.61 0.28 -0.55 8.37 8.92 1lc5A1 LEU 228 HA 0.11 0.22 1.00 -0.75 4.35 4.92 1lc5A1 LEU 228 HB2 0.15 -0.09 0.02 -0.04 1.64 1.67 1lc5A1 LEU 228 HB3 0.18 0.04 0.14 -0.04 1.64 1.96 1lc5A1 LEU 228 HG 0.42 0.06 -0.22 -0.04 1.64 1.86 1lc5A1 LEU 228 HD13 0.29 0.01 -0.10 -0.04 0.93 1.10 1lc5A1 LEU 228 HD23 0.20 0.01 -0.11 -0.04 0.89 0.96 1lc5A1 VAL 229 H 0.12 0.51 0.36 -0.55 8.24 8.68 1lc5A1 VAL 229 HA 0.11 0.54 1.11 -0.75 4.13 5.14 1lc5A1 VAL 229 HB 0.03 -0.13 0.08 -0.04 2.12 2.06 1lc5A1 VAL 229 HG13 0.15 0.01 -0.13 -0.04 0.97 0.96 1lc5A1 VAL 229 HG23 0.16 -0.00 -0.29 -0.04 0.95 0.78 1lc5A1 ASN 230 H -0.08 0.69 0.33 -0.55 8.53 8.92 1lc5A1 ASN 230 HA -0.62 0.18 0.70 -0.75 4.76 4.27 1lc5A1 ASN 230 HB2 -1.25 0.06 -0.07 -0.04 2.88 1.59 1lc5A1 ASN 230 HB3 -0.80 -0.02 -0.11 -0.04 2.79 1.82 1lc5A1 ASN 230 HD21 -1.19 0.38 0.06 -0.04 7.03 6.24 1lc5A1 ASN 230 HD22 -1.84 0.38 -0.04 -0.04 7.74 6.20 1lc5A1 SER 231 H -0.85 0.27 0.14 -0.55 8.46 7.48 1lc5A1 SER 231 HA -1.99 0.19 0.74 -0.75 4.49 2.68 1lc5A1 SER 231 HB2 -1.42 -0.03 0.11 -0.04 3.95 2.57 1lc5A1 SER 231 HB3 -2.24 -0.06 -0.15 -0.04 3.93 1.44 1lc5A1 ASP 232 H -0.60 0.17 -0.16 -0.55 8.40 7.26 1lc5A1 ASP 232 HA -0.20 0.09 0.70 -0.75 4.63 4.47 1lc5A1 ASP 232 HB2 -0.25 0.20 0.15 -0.04 2.71 2.77 1lc5A1 ASP 232 HB3 -0.25 -0.00 0.16 -0.04 2.70 2.56 1lc5A1 ASP 233 H -0.06 0.23 0.17 -0.55 8.40 8.19 1lc5A1 ASP 233 HA 0.02 0.15 0.32 -0.75 4.63 4.38 1lc5A1 ASP 233 HB2 0.02 -0.05 0.15 -0.04 2.71 2.78 1lc5A1 ASP 233 HB3 0.05 0.02 -0.00 -0.04 2.70 2.73 1lc5A1 ALA 234 H 0.01 0.11 -0.05 -0.55 8.40 7.91 1lc5A1 ALA 234 HA 0.04 0.09 0.39 -0.75 4.34 4.11 1lc5A1 ALA 234 HB3 0.03 0.03 0.05 -0.04 1.41 1.48 1lc5A1 ALA 235 H 0.05 0.04 -0.31 -0.55 8.40 7.63 1lc5A1 ALA 235 HA 0.14 0.13 0.35 -0.75 4.34 4.21 1lc5A1 ALA 235 HB3 0.31 0.03 0.02 -0.04 1.41 1.73 1lc5A1 MET 236 H 0.05 0.54 -0.16 -0.55 8.47 8.36 1lc5A1 MET 236 HA 0.22 0.00 0.41 -0.75 4.52 4.39 1lc5A1 MET 236 HB2 0.03 0.10 0.10 -0.04 2.15 2.34 1lc5A1 MET 236 HB3 0.08 0.05 -0.03 -0.04 2.03 2.09 1lc5A1 MET 236 HG2 -0.18 -0.10 -0.07 -0.04 2.63 2.24 1lc5A1 MET 236 HG3 -0.05 0.19 0.02 -0.04 2.56 2.68 1lc5A1 MET 236 HE3 0.10 -0.02 -0.37 -0.04 2.10 1.77 1lc5A1 ALA 237 H 0.07 0.48 -0.21 -0.55 8.40 8.19 1lc5A1 ALA 237 HA 0.07 0.00 0.41 -0.75 4.34 4.07 1lc5A1 ALA 237 HB3 0.05 0.02 0.09 -0.04 1.41 1.53 1lc5A1 ARG 238 H 0.08 0.48 -0.23 -0.55 8.46 8.23 1lc5A1 ARG 238 HA 0.04 -0.01 0.47 -0.75 4.34 4.09 1lc5A1 ARG 238 HB2 0.05 -0.02 0.12 -0.04 1.90 2.01 1lc5A1 ARG 238 HB3 0.08 0.17 0.16 -0.04 1.80 2.17 1lc5A1 ARG 238 HG2 0.03 0.02 -0.10 -0.04 1.67 1.57 1lc5A1 ARG 238 HG3 0.03 -0.08 0.06 -0.04 1.67 1.63 1lc5A1 ARG 238 HD2 0.02 -0.00 0.01 -0.04 3.22 3.20 1lc5A1 ARG 238 HD3 0.03 -0.09 0.00 -0.04 3.22 3.12 1lc5A1 MET 239 H 0.12 0.48 -0.15 -0.55 8.47 8.37 1lc5A1 MET 239 HA 0.05 0.02 0.40 -0.75 4.52 4.24 1lc5A1 MET 239 HB2 0.15 0.15 0.09 -0.04 2.15 2.51 1lc5A1 MET 239 HB3 0.11 -0.11 -0.07 -0.04 2.03 1.92 1lc5A1 MET 239 HG2 0.22 0.27 -0.03 -0.04 2.63 3.05 1lc5A1 MET 239 HG3 0.37 -0.09 -0.12 -0.04 2.56 2.68 1lc5A1 MET 239 HE3 -0.54 0.01 -0.18 -0.04 2.10 1.34 1lc5A1 ARG 240 H 0.08 0.51 -0.23 -0.55 8.46 8.27 1lc5A1 ARG 240 HA 0.08 -0.01 0.43 -0.75 4.34 4.07 1lc5A1 ARG 240 HB2 0.06 0.14 0.12 -0.04 1.90 2.18 1lc5A1 ARG 240 HB3 0.07 -0.07 0.04 -0.04 1.80 1.80 1lc5A1 ARG 240 HG2 0.10 -0.07 0.02 -0.04 1.67 1.67 1lc5A1 ARG 240 HG3 0.08 0.24 0.03 -0.04 1.67 1.99 1lc5A1 ARG 240 HD2 0.08 -0.04 0.00 -0.04 3.22 3.22 1lc5A1 ARG 240 HD3 0.13 -0.05 0.02 -0.04 3.22 3.28 1lc5A1 ARG 241 H 0.04 0.33 -0.32 -0.55 8.46 7.96 1lc5A1 ARG 241 HA 0.00 0.04 0.58 -0.75 4.34 4.21 1lc5A1 ARG 241 HB2 0.02 0.13 0.14 -0.04 1.90 2.15 1lc5A1 ARG 241 HB3 0.01 -0.07 0.04 -0.04 1.80 1.73 1lc5A1 ARG 241 HG2 0.01 -0.07 -0.01 -0.04 1.67 1.56 1lc5A1 ARG 241 HG3 0.03 0.20 0.06 -0.04 1.67 1.91 1lc5A1 ARG 241 HD2 0.01 -0.03 -0.00 -0.04 3.22 3.15 1lc5A1 ARG 241 HD3 0.01 -0.08 -0.02 -0.04 3.22 3.09 1lc5A1 GLN 242 H 0.03 0.40 -0.11 -0.55 8.47 8.24 1lc5A1 GLN 242 HA 0.02 0.01 0.37 -0.75 4.36 3.99 1lc5A1 GLN 242 HB2 0.02 0.04 0.04 -0.04 2.15 2.20 1lc5A1 GLN 242 HB3 0.03 0.04 0.13 -0.04 2.02 2.17 1lc5A1 GLN 242 HG2 0.01 -0.02 -0.19 -0.04 2.40 2.16 1lc5A1 GLN 242 HG3 0.03 -0.09 -0.22 -0.04 2.39 2.07 1lc5A1 GLN 242 HE21 0.02 -0.02 -0.01 -0.04 6.97 6.92 1lc5A1 GLN 242 HE22 0.03 -0.08 -0.04 -0.04 7.69 7.57 1lc5A1 GLN 243 H 0.04 0.44 -0.19 -0.55 8.47 8.21 1lc5A1 GLN 243 HA 0.04 -0.05 0.52 -0.75 4.36 4.11 1lc5A1 GLN 243 HB2 0.06 0.00 0.04 -0.04 2.15 2.21 1lc5A1 GLN 243 HB3 0.05 0.08 0.02 -0.04 2.02 2.14 1lc5A1 GLN 243 HG2 0.05 0.09 -0.11 -0.04 2.40 2.40 1lc5A1 GLN 243 HG3 0.05 -0.11 0.02 -0.04 2.39 2.32 1lc5A1 GLN 243 HE21 0.04 0.57 0.11 -0.04 6.97 7.65 1lc5A1 GLN 243 HE22 0.03 -0.04 -0.03 -0.04 7.69 7.61 1lc5A1 MET 244 H 0.03 -0.02 0.13 -0.55 8.47 8.07 1lc5A1 MET 244 HA 0.00 0.16 0.33 -0.75 4.52 4.26 1lc5A1 MET 244 HB2 0.03 -0.00 0.13 -0.04 2.15 2.27 1lc5A1 MET 244 HB3 0.05 -0.13 0.08 -0.04 2.03 1.98 1lc5A1 MET 244 HG2 0.10 0.27 -0.24 -0.04 2.63 2.71 1lc5A1 MET 244 HG3 0.05 -0.01 0.05 -0.04 2.56 2.61 1lc5A1 MET 244 HE3 0.02 -0.01 0.03 -0.04 2.10 2.10 1lc5A1 PRO 245 HA -0.19 0.08 0.46 -0.51 4.44 4.28 1lc5A1 PRO 245 HB2 -0.69 -0.02 0.04 -0.04 2.28 1.57 1lc5A1 PRO 245 HB3 -0.95 -0.02 0.12 -0.04 2.02 1.13 1lc5A1 PRO 245 HG2 -0.27 -0.01 0.09 -0.04 2.03 1.80 1lc5A1 PRO 245 HG3 -0.25 0.12 0.11 -0.04 2.03 1.97 1lc5A1 PRO 245 HD2 -0.04 0.03 0.19 -0.04 3.68 3.82 1lc5A1 PRO 245 HD3 -0.06 0.25 0.20 -0.04 3.65 4.00 1lc5A1 TRP 246 H -0.01 0.16 0.20 -0.55 7.97 7.78 1lc5A1 TRP 246 HA 0.29 -0.01 0.28 -0.75 4.62 4.43 1lc5A1 TRP 246 HB2 0.16 0.18 -0.05 -0.04 3.23 3.48 1lc5A1 TRP 246 HB3 0.22 -0.03 0.16 -0.04 3.23 3.54 1lc5A1 TRP 246 HD1 0.03 0.09 -0.05 -0.04 7.22 7.25 1lc5A1 TRP 246 HE1 -0.16 -0.05 0.04 -0.04 10.20 9.99 1lc5A1 TRP 246 HE3 0.07 0.13 -0.15 -0.04 7.59 7.60 1lc5A1 TRP 246 HZ2 -0.38 -0.03 0.02 -0.04 7.44 7.01 1lc5A1 TRP 246 HZ3 -0.04 0.01 -0.02 -0.04 7.13 7.04 1lc5A1 TRP 246 HH2 -0.22 -0.01 0.00 -0.04 7.19 6.93 1lc5A1 SER 247 H 0.22 0.22 -0.19 -0.55 8.46 8.17 1lc5A1 SER 247 HA 0.17 0.16 0.28 -0.75 4.49 4.34 1lc5A1 SER 247 HB2 0.07 -0.11 0.07 -0.04 3.95 3.93 1lc5A1 SER 247 HB3 0.09 0.23 -0.04 -0.04 3.93 4.17 1lc5A1 VAL 248 H 0.11 0.08 -0.24 -0.55 8.24 7.64 1lc5A1 VAL 248 HA 0.02 0.10 0.74 -0.75 4.13 4.22 1lc5A1 VAL 248 HB -0.74 -0.01 -0.01 -0.04 2.12 1.32 1lc5A1 VAL 248 HG13 -0.05 0.02 -0.18 -0.04 0.97 0.72 1lc5A1 VAL 248 HG23 -0.18 0.01 -0.43 -0.04 0.95 0.31 1lc5A1 ASN 249 H 0.06 0.18 0.17 -0.55 8.53 8.39 1lc5A1 ASN 249 HA 0.11 0.24 0.50 -0.75 4.76 4.85 1lc5A1 ASN 249 HB2 0.02 -0.02 0.18 -0.04 2.88 3.03 1lc5A1 ASN 249 HB3 0.04 0.16 0.14 -0.04 2.79 3.09 1lc5A1 ASN 249 HD21 0.01 0.36 0.25 -0.04 7.03 7.61 1lc5A1 ASN 249 HD22 0.03 0.07 0.20 -0.04 7.74 7.99 1lc5A1 ALA 250 H 0.04 0.27 0.19 -0.55 8.40 8.34 1lc5A1 ALA 250 HA 0.09 0.06 0.33 -0.75 4.34 4.06 1lc5A1 ALA 250 HB3 0.01 0.05 0.02 -0.04 1.41 1.45 1lc5A1 LEU 251 H 0.01 0.13 -0.14 -0.55 8.37 7.82 1lc5A1 LEU 251 HA -0.01 0.13 0.50 -0.75 4.35 4.21 1lc5A1 LEU 251 HB2 -0.01 0.02 0.05 -0.04 1.64 1.66 1lc5A1 LEU 251 HB3 -0.02 0.02 0.01 -0.04 1.64 1.60 1lc5A1 LEU 251 HG -0.02 -0.04 0.03 -0.04 1.64 1.57 1lc5A1 LEU 251 HD13 -0.02 0.02 0.02 -0.04 0.93 0.91 1lc5A1 LEU 251 HD23 -0.02 0.02 -0.07 -0.04 0.89 0.78 1lc5A1 ALA 252 H 0.01 0.14 -0.21 -0.55 8.40 7.79 1lc5A1 ALA 252 HA -0.02 -0.00 0.37 -0.75 4.34 3.94 1lc5A1 ALA 252 HB3 0.01 0.09 0.01 -0.04 1.41 1.48 1lc5A1 ALA 253 H 0.05 0.49 -0.33 -0.55 8.40 8.06 1lc5A1 ALA 253 HA 0.01 0.00 0.31 -0.75 4.34 3.91 1lc5A1 ALA 253 HB3 0.12 0.04 0.00 -0.04 1.41 1.53 1lc5A1 LEU 254 H 0.01 0.46 -0.21 -0.55 8.37 8.09 1lc5A1 LEU 254 HA -0.02 0.02 0.37 -0.75 4.35 3.97 1lc5A1 LEU 254 HB2 -0.00 0.07 0.09 -0.04 1.64 1.76 1lc5A1 LEU 254 HB3 -0.02 0.08 0.11 -0.04 1.64 1.77 1lc5A1 LEU 254 HG -0.04 -0.06 -0.24 -0.04 1.64 1.25 1lc5A1 LEU 254 HD13 -0.02 -0.01 -0.01 -0.04 0.93 0.85 1lc5A1 LEU 254 HD23 -0.02 0.04 -0.20 -0.04 0.89 0.66 1lc5A1 ALA 255 H -0.05 0.57 -0.23 -0.55 8.40 8.15 1lc5A1 ALA 255 HA -0.11 0.01 0.44 -0.75 4.34 3.93 1lc5A1 ALA 255 HB3 -0.09 0.02 0.07 -0.04 1.41 1.37 1lc5A1 GLY 256 H -0.07 0.60 -0.18 -0.55 8.43 8.23 1lc5A1 GLY 256 HA2 -0.17 -0.06 0.35 -0.51 4.01 3.63 1lc5A1 GLY 256 HA3 -0.09 0.05 0.27 -0.51 4.01 3.73 1lc5A1 GLU 257 H -0.09 0.35 -0.69 -0.55 8.60 7.63 1lc5A1 GLU 257 HA -0.09 0.12 0.64 -0.75 4.29 4.21 1lc5A1 GLU 257 HB2 -0.05 0.17 0.10 -0.04 2.09 2.27 1lc5A1 GLU 257 HB3 -0.06 -0.04 -0.01 -0.04 1.99 1.83 1lc5A1 GLU 257 HG2 -0.05 0.01 -0.09 -0.04 2.34 2.17 1lc5A1 GLU 257 HG3 -0.04 -0.01 -0.14 -0.04 2.34 2.10 1lc5A1 VAL 258 H -0.14 0.25 -0.18 -0.55 8.24 7.63 1lc5A1 VAL 258 HA -0.10 0.28 1.03 -0.75 4.13 4.59 1lc5A1 VAL 258 HB -0.08 -0.10 -0.02 -0.04 2.12 1.87 1lc5A1 VAL 258 HG13 -0.07 0.02 -0.16 -0.04 0.97 0.72 1lc5A1 VAL 258 HG23 -0.11 0.08 -0.10 -0.04 0.95 0.78 1lc5A1 ALA 259 H -0.24 0.63 0.16 -0.55 8.40 8.40 1lc5A1 ALA 259 HA -0.27 -0.07 0.37 -0.75 4.34 3.61 1lc5A1 ALA 259 HB3 -0.77 0.01 0.07 -0.04 1.41 0.68 1lc5A1 LEU 260 H -0.32 0.21 -0.31 -0.55 8.37 7.41 1lc5A1 LEU 260 HA -0.17 0.07 0.35 -0.75 4.35 3.85 1lc5A1 LEU 260 HB2 -0.30 0.08 -0.09 -0.04 1.64 1.29 1lc5A1 LEU 260 HB3 -0.80 0.06 0.06 -0.04 1.64 0.91 1lc5A1 LEU 260 HG -0.35 -0.02 -0.03 -0.04 1.64 1.20 1lc5A1 LEU 260 HD13 -0.54 0.02 -0.06 -0.04 0.93 0.32 1lc5A1 LEU 260 HD23 -0.28 -0.02 -0.08 -0.04 0.89 0.47 1lc5A1 GLN 261 H -0.09 0.34 -0.67 -0.55 8.47 7.51 1lc5A1 GLN 261 HA 0.05 0.19 0.73 -0.75 4.36 4.58 1lc5A1 ASP 262 H 0.04 0.57 -0.22 -0.55 8.40 8.25 1lc5A1 ASP 262 HA 0.06 0.09 0.75 -0.75 4.63 4.77 1lc5A1 ASP 262 HB2 -0.02 0.09 0.18 -0.04 2.71 2.92 1lc5A1 ASP 262 HB3 0.18 0.07 0.31 -0.04 2.70 3.22 1lc5A1 SER 263 H 0.08 0.44 0.06 -0.55 8.46 8.49 1lc5A1 SER 263 HA 0.12 0.12 0.36 -0.75 4.49 4.34 1lc5A1 ALA 264 H 0.08 0.11 -0.08 -0.55 8.40 7.96 1lc5A1 ALA 264 HA 0.05 0.11 0.41 -0.75 4.34 4.16 1lc5A1 ALA 264 HB3 0.07 0.01 0.09 -0.04 1.41 1.53 1lc5A1 TRP 265 H 0.24 0.07 -0.22 -0.55 7.97 7.52 1lc5A1 TRP 265 HA -0.12 0.07 0.46 -0.75 4.62 4.28 1lc5A1 TRP 265 HB2 -0.04 -0.17 0.14 -0.04 3.23 3.11 1lc5A1 TRP 265 HB3 0.00 0.17 0.17 -0.04 3.23 3.53 1lc5A1 TRP 265 HD1 -0.33 0.04 -0.20 -0.04 7.22 6.68 1lc5A1 TRP 265 HE1 -0.85 0.59 0.16 -0.04 10.20 10.06 1lc5A1 TRP 265 HE3 -0.10 -0.08 -0.11 -0.04 7.59 7.26 1lc5A1 TRP 265 HZ2 -0.26 0.06 -0.23 -0.04 7.44 6.97 1lc5A1 TRP 265 HZ3 -0.12 0.13 -0.54 -0.04 7.13 6.56 1lc5A1 TRP 265 HH2 -0.17 0.08 -0.78 -0.04 7.19 6.28 1lc5A1 GLN 266 H 0.10 0.47 -0.05 -0.55 8.47 8.44 1lc5A1 GLN 266 HA -0.53 0.05 0.44 -0.75 4.36 3.56 1lc5A1 GLN 266 HB2 -0.14 0.03 0.14 -0.04 2.15 2.14 1lc5A1 GLN 266 HB3 -1.24 0.03 0.03 -0.04 2.02 0.81 1lc5A1 GLN 266 HG2 0.23 -0.03 0.00 -0.04 2.40 2.56 1lc5A1 GLN 266 HG3 0.25 0.13 0.09 -0.04 2.39 2.83 1lc5A1 GLN 266 HE21 0.22 0.34 -0.04 -0.04 6.97 7.45 1lc5A1 GLN 266 HE22 0.40 -0.09 -0.05 -0.04 7.69 7.92 1lc5A1 GLN 267 H -0.06 0.65 -0.05 -0.55 8.47 8.46 1lc5A1 GLN 267 HA 0.31 0.04 0.45 -0.75 4.36 4.41 1lc5A1 GLN 267 HB2 0.05 0.07 0.16 -0.04 2.15 2.38 1lc5A1 GLN 267 HB3 0.11 -0.04 0.02 -0.04 2.02 2.07 1lc5A1 GLN 267 HG2 0.17 0.12 0.10 -0.04 2.40 2.75 1lc5A1 GLN 267 HG3 0.13 -0.04 0.01 -0.04 2.39 2.45 1lc5A1 GLN 267 HE21 0.38 0.03 -0.01 -0.04 6.97 7.33 1lc5A1 GLN 267 HE22 0.41 0.00 0.00 -0.04 7.69 8.06 1lc5A1 ALA 268 H -0.13 0.51 -0.14 -0.55 8.40 8.09 1lc5A1 ALA 268 HA -0.01 0.00 0.46 -0.75 4.34 4.03 1lc5A1 ALA 268 HB3 -0.22 0.01 0.14 -0.04 1.41 1.30 1lc5A1 THR 269 H -0.49 0.52 -0.24 -0.55 8.28 7.52 1lc5A1 THR 269 HA -0.14 -0.03 0.49 -0.75 4.39 3.95 1lc5A1 THR 269 HB -0.89 0.14 0.22 -0.04 4.32 3.75 1lc5A1 THR 269 HG23 -0.40 -0.02 -0.03 -0.04 1.22 0.73 1lc5A1 TRP 270 H -0.13 0.63 0.06 -0.55 7.97 7.99 1lc5A1 TRP 270 HA 0.16 0.08 0.47 -0.75 4.62 4.57 1lc5A1 TRP 270 HB2 0.10 0.03 0.17 -0.04 3.23 3.48 1lc5A1 TRP 270 HB3 0.08 -0.04 0.09 -0.04 3.23 3.32 1lc5A1 TRP 270 HD1 0.23 0.05 0.03 -0.04 7.22 7.50 1lc5A1 TRP 270 HE1 0.06 0.58 0.14 -0.04 10.20 10.93 1lc5A1 TRP 270 HE3 0.08 -0.05 -0.09 -0.04 7.59 7.49 1lc5A1 TRP 270 HZ2 -0.09 0.04 0.03 -0.04 7.44 7.38 1lc5A1 TRP 270 HZ3 0.07 -0.05 -0.07 -0.04 7.13 7.05 1lc5A1 TRP 270 HH2 0.06 0.00 -0.01 -0.04 7.19 7.20 1lc5A1 HIS 271 H 0.33 0.54 -0.17 -0.55 8.41 8.57 1lc5A1 HIS 271 HA 0.13 0.02 0.46 -0.75 4.63 4.49 1lc5A1 HIS 271 HB2 0.12 0.07 0.15 -0.04 3.26 3.56 1lc5A1 HIS 271 HB3 0.10 0.06 0.18 -0.04 3.20 3.50 1lc5A1 HIS 271 HD2 0.09 0.01 -0.12 -0.04 6.97 6.91 1lc5A1 HIS 271 HE1 0.05 0.00 0.01 -0.04 7.75 7.76 1lc5A1 TRP 272 H 0.35 0.56 -0.09 -0.55 7.97 8.24 1lc5A1 TRP 272 HA -0.03 -0.06 0.47 -0.75 4.62 4.25 1lc5A1 TRP 272 HB2 -0.05 -0.06 0.16 -0.04 3.23 3.24 1lc5A1 TRP 272 HB3 -0.09 0.21 0.28 -0.04 3.23 3.59 1lc5A1 TRP 272 HD1 -0.05 -0.11 0.05 -0.04 7.22 7.07 1lc5A1 TRP 272 HE1 -0.08 0.33 -0.10 -0.04 10.20 10.31 1lc5A1 TRP 272 HE3 -0.06 0.21 0.15 -0.04 7.59 7.84 1lc5A1 TRP 272 HZ2 -0.08 0.11 -0.48 -0.04 7.44 6.95 1lc5A1 TRP 272 HZ3 0.16 -0.03 0.02 -0.04 7.13 7.23 1lc5A1 TRP 272 HH2 -0.06 0.07 0.03 -0.04 7.19 7.18 1lc5A1 LEU 273 H 0.04 0.63 -0.08 -0.55 8.37 8.42 1lc5A1 LEU 273 HA -1.28 -0.04 0.35 -0.75 4.35 2.63 1lc5A1 LEU 273 HB2 -0.27 -0.02 0.11 -0.04 1.64 1.41 1lc5A1 LEU 273 HB3 0.04 0.11 0.15 -0.04 1.64 1.90 1lc5A1 LEU 273 HG -0.17 0.03 -0.16 -0.04 1.64 1.30 1lc5A1 LEU 273 HD13 -0.59 -0.00 -0.04 -0.04 0.93 0.26 1lc5A1 LEU 273 HD23 0.16 0.05 -0.04 -0.04 0.89 1.02 1lc5A1 ARG 274 H -0.06 0.57 -0.08 -0.55 8.46 8.34 1lc5A1 ARG 274 HA -0.08 0.05 0.49 -0.75 4.34 4.05 1lc5A1 ARG 274 HB2 0.02 0.03 0.18 -0.04 1.90 2.09 1lc5A1 ARG 274 HB3 -0.05 0.06 0.23 -0.04 1.80 2.00 1lc5A1 ARG 274 HG2 -0.00 -0.04 0.01 -0.04 1.67 1.60 1lc5A1 ARG 274 HG3 -0.05 -0.02 -0.23 -0.04 1.67 1.33 1lc5A1 ARG 274 HD2 -0.03 0.02 0.13 -0.04 3.22 3.29 1lc5A1 ARG 274 HD3 0.00 -0.00 0.06 -0.04 3.22 3.23 1lc5A1 GLU 275 H -0.21 0.54 -0.06 -0.55 8.60 8.32 1lc5A1 GLU 275 HA -0.10 0.07 0.54 -0.75 4.29 4.05 1lc5A1 GLU 275 HB2 -0.19 0.04 0.24 -0.04 2.09 2.14 1lc5A1 GLU 275 HB3 -0.09 -0.06 0.01 -0.04 1.99 1.80 1lc5A1 GLU 275 HG2 -0.16 -0.03 0.04 -0.04 2.34 2.15 1lc5A1 GLU 275 HG3 -0.53 0.13 0.11 -0.04 2.34 2.02 1lc5A1 GLU 276 H -0.23 0.54 0.19 -0.55 8.60 8.56 1lc5A1 GLU 276 HA -0.04 0.00 0.50 -0.75 4.29 3.99 1lc5A1 GLU 276 HB2 0.02 -0.10 0.16 -0.04 2.09 2.13 1lc5A1 GLU 276 HB3 -0.48 0.19 0.10 -0.04 1.99 1.75 1lc5A1 GLU 276 HG2 0.19 -0.09 -0.09 -0.04 2.34 2.32 1lc5A1 GLU 276 HG3 -0.06 0.06 -0.19 -0.04 2.34 2.11 1lc5A1 GLY 277 H -0.39 0.39 -0.16 -0.55 8.43 7.73 1lc5A1 GLY 277 HA2 -0.10 -0.07 0.38 -0.51 4.01 3.72 1lc5A1 GLY 277 HA3 -0.22 0.29 0.35 -0.51 4.01 3.92 1lc5A1 ALA 278 H -0.08 0.38 -0.28 -0.55 8.40 7.88 1lc5A1 ALA 278 HA 0.05 0.04 0.46 -0.75 4.34 4.14 1lc5A1 ALA 278 HB3 -0.00 0.03 0.14 -0.04 1.41 1.53 1lc5A1 ARG 279 H 0.02 0.41 -0.17 -0.55 8.46 8.17 1lc5A1 ARG 279 HA 0.05 0.02 0.40 -0.75 4.34 4.05 1lc5A1 ARG 279 HB2 0.05 0.07 0.18 -0.04 1.90 2.16 1lc5A1 ARG 279 HB3 0.06 -0.06 -0.01 -0.04 1.80 1.76 1lc5A1 ARG 279 HG2 0.03 -0.04 0.04 -0.04 1.67 1.66 1lc5A1 ARG 279 HG3 0.01 0.16 0.10 -0.04 1.67 1.90 1lc5A1 ARG 279 HD2 0.02 -0.03 -0.05 -0.04 3.22 3.12 1lc5A1 ARG 279 HD3 0.03 -0.04 -0.01 -0.04 3.22 3.16 1lc5A1 PHE 280 H 0.20 0.64 -0.13 -0.55 8.34 8.50 1lc5A1 PHE 280 HA 0.02 -0.02 0.41 -0.75 4.62 4.27 1lc5A1 PHE 280 HB2 0.04 0.01 0.09 -0.04 3.15 3.25 1lc5A1 PHE 280 HB3 0.03 0.13 0.13 -0.04 3.06 3.31 1lc5A1 PHE 280 HD2 0.06 0.01 -0.04 -0.04 7.28 7.27 1lc5A1 PHE 280 HE2 0.08 0.11 -0.05 -0.04 7.38 7.48 1lc5A1 PHE 280 HZ -0.02 -0.01 -0.03 -0.04 7.32 7.22 1lc5A1 TYR 281 H 0.23 0.61 -0.07 -0.55 8.29 8.51 1lc5A1 TYR 281 HA -0.18 -0.01 0.40 -0.75 4.56 4.01 1lc5A1 TYR 281 HB2 -0.04 0.03 0.10 -0.04 3.06 3.10 1lc5A1 TYR 281 HB3 -0.03 0.10 0.18 -0.04 2.98 3.19 1lc5A1 TYR 281 HD2 -0.05 0.02 -0.06 -0.04 7.15 7.01 1lc5A1 TYR 281 HE2 -0.04 0.01 -0.24 -0.04 6.85 6.54 1lc5A1 GLN 282 H 0.08 0.63 -0.17 -0.55 8.47 8.46 1lc5A1 GLN 282 HA -0.27 -0.00 0.37 -0.75 4.36 3.70 1lc5A1 GLN 282 HB2 0.01 0.11 0.18 -0.04 2.15 2.41 1lc5A1 GLN 282 HB3 -0.04 -0.06 -0.02 -0.04 2.02 1.86 1lc5A1 GLN 282 HG2 0.13 0.15 0.09 -0.04 2.40 2.72 1lc5A1 GLN 282 HG3 0.04 -0.08 -0.00 -0.04 2.39 2.31 1lc5A1 GLN 282 HE21 0.10 -0.02 -0.01 -0.04 6.97 6.99 1lc5A1 GLN 282 HE22 0.22 0.02 -0.01 -0.04 7.69 7.88 1lc5A1 ALA 283 H -0.03 0.55 -0.17 -0.55 8.40 8.20 1lc5A1 ALA 283 HA -0.06 -0.00 0.40 -0.75 4.34 3.92 1lc5A1 ALA 283 HB3 0.01 0.00 0.10 -0.04 1.41 1.48 1lc5A1 LEU 284 H -0.24 0.61 -0.10 -0.55 8.37 8.10 1lc5A1 LEU 284 HA -0.18 -0.02 0.40 -0.75 4.35 3.80 1lc5A1 LEU 284 HB2 -0.33 0.13 0.10 -0.04 1.64 1.50 1lc5A1 LEU 284 HB3 -0.25 -0.06 -0.06 -0.04 1.64 1.23 1lc5A1 LEU 284 HG -0.58 0.06 0.03 -0.04 1.64 1.10 1lc5A1 LEU 284 HD13 -0.88 -0.02 -0.14 -0.04 0.93 -0.15 1lc5A1 LEU 284 HD23 -0.26 -0.03 -0.06 -0.04 0.89 0.50 1lc5A1 CYS 285 H -0.34 0.52 -0.23 -0.55 8.50 7.91 1lc5A1 CYS 285 HA -0.24 -0.02 0.35 -0.75 4.58 3.93 1lc5A1 CYS 285 HB2 -0.35 0.16 0.11 -0.04 2.97 2.85 1lc5A1 CYS 285 HB3 -0.24 -0.08 0.03 -0.04 2.97 2.64 1lc5A1 GLN 286 H -0.14 0.37 -0.49 -0.55 8.47 7.66 1lc5A1 GLN 286 HA -0.09 0.03 0.47 -0.75 4.36 4.02 1lc5A1 GLN 286 HB2 -0.07 0.08 0.05 -0.04 2.15 2.16 1lc5A1 GLN 286 HB3 -0.06 -0.11 0.10 -0.04 2.02 1.90 1lc5A1 GLN 286 HG2 -0.09 0.28 0.15 -0.04 2.40 2.70 1lc5A1 GLN 286 HG3 -0.05 -0.13 0.03 -0.04 2.39 2.19 1lc5A1 GLN 286 HE21 -0.08 -0.11 -0.05 -0.04 6.97 6.68 1lc5A1 GLN 286 HE22 -0.12 0.46 0.05 -0.04 7.69 8.03 1lc5A1 LEU 287 H -0.11 0.39 -0.26 -0.55 8.37 7.85 1lc5A1 LEU 287 HA -0.06 0.05 0.44 -0.75 4.35 4.03 1lc5A1 LEU 287 HB2 -0.09 0.04 0.09 -0.04 1.64 1.64 1lc5A1 LEU 287 HB3 -0.07 0.01 0.02 -0.04 1.64 1.56 1lc5A1 LEU 287 HG -0.09 0.12 0.08 -0.04 1.64 1.71 1lc5A1 LEU 287 HD13 -0.08 -0.03 -0.09 -0.04 0.93 0.69 1lc5A1 LEU 287 HD23 -0.05 -0.02 -0.05 -0.04 0.89 0.73 1lc5A1 PRO 288 HA -0.05 0.05 0.51 -0.51 4.44 4.45 1lc5A1 PRO 288 HB2 -0.03 -0.02 0.09 -0.04 2.28 2.28 1lc5A1 PRO 288 HB3 -0.03 0.03 0.17 -0.04 2.02 2.14 1lc5A1 PRO 288 HG2 -0.04 0.02 0.10 -0.04 2.03 2.07 1lc5A1 PRO 288 HG3 -0.03 0.07 0.11 -0.04 2.03 2.14 1lc5A1 PRO 288 HD2 -0.05 0.02 0.24 -0.04 3.68 3.84 1lc5A1 PRO 288 HD3 -0.04 0.18 0.26 -0.04 3.65 4.01 1lc5A1 LEU 289 H -0.04 0.13 0.19 -0.55 8.37 8.11 1lc5A1 LEU 289 HA -0.03 -0.04 0.40 -0.75 4.35 3.93 1lc5A1 LEU 290 H -0.06 0.41 -0.62 -0.55 8.37 7.55 1lc5A1 LEU 290 HA -0.06 0.25 1.14 -0.75 4.35 4.92 1lc5A1 LEU 290 HB2 -0.09 0.25 0.00 -0.04 1.64 1.76 1lc5A1 LEU 290 HB3 -0.10 -0.04 -0.18 -0.04 1.64 1.28 1lc5A1 LEU 290 HG -0.08 0.03 -0.13 -0.04 1.64 1.42 1lc5A1 LEU 290 HD13 -0.11 -0.00 -0.07 -0.04 0.93 0.71 1lc5A1 LEU 290 HD23 -0.05 -0.03 -0.11 -0.04 0.89 0.66 1lc5A1 THR 291 H -0.09 0.53 0.36 -0.55 8.28 8.54 1lc5A1 THR 291 HA -0.15 0.17 0.78 -0.75 4.39 4.43 1lc5A1 THR 291 HB -0.10 -0.07 0.14 -0.04 4.32 4.25 1lc5A1 THR 291 HG23 -0.36 -0.01 -0.11 -0.04 1.22 0.70 1lc5A1 VAL 292 H -0.21 0.26 0.10 -0.55 8.24 7.84 1lc5A1 VAL 292 HA -0.10 0.23 1.06 -0.75 4.13 4.56 1lc5A1 VAL 292 HB -0.19 -0.01 0.04 -0.04 2.12 1.92 1lc5A1 VAL 292 HG13 0.04 0.03 -0.10 -0.04 0.97 0.91 1lc5A1 VAL 292 HG23 -0.17 -0.01 -0.38 -0.04 0.95 0.35 1lc5A1 TYR 293 H 0.16 0.56 0.29 -0.55 8.29 8.75 1lc5A1 TYR 293 HA 0.15 0.15 0.75 -0.75 4.56 4.85 1lc5A1 TYR 293 HB2 0.10 -0.04 0.15 -0.04 3.06 3.23 1lc5A1 TYR 293 HB3 0.13 0.05 0.05 -0.04 2.98 3.18 1lc5A1 TYR 293 HD2 0.18 0.11 -0.09 -0.04 7.15 7.31 1lc5A1 TYR 293 HE2 0.30 -0.04 -0.18 -0.04 6.85 6.89 1lc5A1 PRO 294 HA -0.28 0.13 0.53 -0.51 4.44 4.31 1lc5A1 PRO 294 HB2 -0.16 0.01 0.15 -0.04 2.28 2.24 1lc5A1 PRO 294 HB3 -0.14 0.03 0.09 -0.04 2.02 1.96 1lc5A1 PRO 294 HG2 0.04 -0.03 0.13 -0.04 2.03 2.13 1lc5A1 PRO 294 HG3 0.05 0.01 0.11 -0.04 2.03 2.16 1lc5A1 PRO 294 HD2 0.25 0.08 0.18 -0.04 3.68 4.15 1lc5A1 PRO 294 HD3 0.16 0.18 0.25 -0.04 3.65 4.20 1lc5A1 GLY 295 H -0.05 0.37 0.32 -0.55 8.43 8.52 1lc5A1 GLY 295 HA2 -0.11 -0.02 0.37 -0.51 4.01 3.73 1lc5A1 GLY 295 HA3 -0.19 0.12 0.44 -0.51 4.01 3.87 1lc5A1 ARG 296 H -0.18 0.46 0.35 -0.55 8.46 8.54 1lc5A1 ARG 296 HA -0.11 0.22 0.80 -0.75 4.34 4.51 1lc5A1 ARG 296 HB2 -0.02 -0.03 0.10 -0.04 1.90 1.90 1lc5A1 ARG 296 HB3 -0.00 -0.05 0.13 -0.04 1.80 1.83 1lc5A1 ARG 296 HG2 -0.04 0.12 0.12 -0.04 1.67 1.83 1lc5A1 ARG 296 HG3 -0.00 -0.14 0.10 -0.04 1.67 1.58 1lc5A1 ARG 296 HD2 -0.09 0.18 -0.20 -0.04 3.22 3.07 1lc5A1 ARG 296 HD3 -0.04 -0.05 0.01 -0.04 3.22 3.10 1lc5A1 ALA 297 H -0.38 0.00 -0.02 -0.55 8.40 7.46 1lc5A1 ALA 297 HA 0.00 0.31 0.86 -0.75 4.34 4.76 1lc5A1 ALA 297 HB3 -0.09 -0.02 0.06 -0.04 1.41 1.32 1lc5A1 ASN 298 H -0.44 0.08 0.05 -0.55 8.53 7.68 1lc5A1 ASN 298 HA -0.18 0.26 0.61 -0.75 4.76 4.69 1lc5A1 ASN 298 HB2 0.12 0.11 0.19 -0.04 2.88 3.26 1lc5A1 ASN 298 HB3 -0.49 0.03 0.04 -0.04 2.79 2.33 1lc5A1 ASN 298 HD21 0.25 0.26 -0.29 -0.04 7.03 7.21 1lc5A1 ASN 298 HD22 0.13 0.09 -0.31 -0.04 7.74 7.61 1lc5A1 TYR 299 H -0.45 0.39 -0.42 -0.55 8.29 7.26 1lc5A1 TYR 299 HA 0.09 0.17 0.47 -0.75 4.56 4.54 1lc5A1 TYR 299 HB2 -0.00 0.06 -0.12 -0.04 3.06 2.95 1lc5A1 TYR 299 HB3 -0.04 0.01 -0.11 -0.04 2.98 2.80 1lc5A1 TYR 299 HD2 -0.27 0.07 -0.43 -0.04 7.15 6.49 1lc5A1 TYR 299 HE2 -1.08 -0.06 -0.22 -0.04 6.85 5.45 1lc5A1 LEU 300 H 0.24 0.65 0.27 -0.55 8.37 8.98 1lc5A1 LEU 300 HA 0.05 0.14 0.92 -0.75 4.35 4.71 1lc5A1 LEU 300 HB2 0.07 -0.04 0.02 -0.04 1.64 1.65 1lc5A1 LEU 300 HB3 0.08 0.11 0.01 -0.04 1.64 1.80 1lc5A1 LEU 300 HG 0.09 -0.10 -0.51 -0.04 1.64 1.07 1lc5A1 LEU 300 HD13 -0.01 0.00 -0.11 -0.04 0.93 0.78 1lc5A1 LEU 300 HD23 0.02 0.08 0.13 -0.04 0.89 1.08 1lc5A1 LEU 301 H 0.16 0.23 0.19 -0.55 8.37 8.41 1lc5A1 LEU 301 HA 0.15 0.17 0.94 -0.75 4.35 4.86 1lc5A1 LEU 301 HB2 0.04 0.19 0.00 -0.04 1.64 1.83 1lc5A1 LEU 301 HB3 0.22 -0.02 0.15 -0.04 1.64 1.95 1lc5A1 LEU 301 HG 0.29 0.05 -0.27 -0.04 1.64 1.67 1lc5A1 LEU 301 HD13 -0.05 0.03 -0.12 -0.04 0.93 0.75 1lc5A1 LEU 301 HD23 -0.54 -0.03 -0.18 -0.04 0.89 0.10 1lc5A1 LEU 302 H 0.19 0.80 0.46 -0.55 8.37 9.27 1lc5A1 LEU 302 HA 0.09 0.31 1.05 -0.75 4.35 5.05 1lc5A1 LEU 302 HB2 0.16 -0.11 0.03 -0.04 1.64 1.68 1lc5A1 LEU 302 HB3 0.03 0.05 -0.02 -0.04 1.64 1.66 1lc5A1 LEU 302 HG 0.09 0.02 -0.19 -0.04 1.64 1.53 1lc5A1 LEU 302 HD13 -0.02 -0.01 -0.14 -0.04 0.93 0.71 1lc5A1 LEU 302 HD23 -0.03 0.04 -0.24 -0.04 0.89 0.61 1lc5A1 ARG 303 H 0.00 0.69 0.36 -0.55 8.46 8.97 1lc5A1 ARG 303 HA -0.30 0.21 0.90 -0.75 4.34 4.40 1lc5A1 ARG 303 HB2 0.03 -0.04 -0.07 -0.04 1.90 1.78 1lc5A1 ARG 303 HB3 -0.03 -0.04 0.14 -0.04 1.80 1.82 1lc5A1 ARG 303 HG2 -0.19 0.06 -0.38 -0.04 1.67 1.13 1lc5A1 ARG 303 HG3 -0.89 -0.05 -0.12 -0.04 1.67 0.56 1lc5A1 ARG 303 HD2 0.04 -0.03 -0.09 -0.04 3.22 3.09 1lc5A1 ARG 303 HD3 0.29 -0.03 -0.08 -0.04 3.22 3.36 1lc5A1 CYS 304 H -0.02 0.74 0.28 -0.55 8.50 8.95 1lc5A1 CYS 304 HA -0.03 0.27 0.93 -0.75 4.58 5.00 1lc5A1 CYS 304 HB2 0.04 -0.05 0.06 -0.04 2.97 2.98 1lc5A1 CYS 304 HB3 0.13 0.05 0.21 -0.04 2.97 3.31 1lc5A1 GLU 305 H -0.03 1.02 0.38 -0.55 8.60 9.42 1lc5A1 GLU 305 HA -0.02 0.01 0.38 -0.75 4.29 3.90 1lc5A1 ARG 306 H -0.01 0.14 -0.16 -0.55 8.46 7.88 1lc5A1 ARG 306 HA 0.00 0.06 0.65 -0.75 4.34 4.30 1lc5A1 ARG 306 HB2 -0.01 0.06 0.15 -0.04 1.90 2.06 1lc5A1 ARG 306 HB3 -0.00 -0.08 0.02 -0.04 1.80 1.69 1lc5A1 ARG 306 HG2 -0.01 -0.04 -0.02 -0.04 1.67 1.56 1lc5A1 ARG 306 HG3 -0.01 0.09 0.01 -0.04 1.67 1.72 1lc5A1 ARG 306 HD2 -0.00 -0.01 0.01 -0.04 3.22 3.17 1lc5A1 ARG 306 HD3 -0.01 0.03 -0.01 -0.04 3.22 3.19 1lc5A1 GLU 307 H 0.01 0.22 0.20 -0.55 8.60 8.49 1lc5A1 GLU 307 HA 0.03 0.15 0.32 -0.75 4.29 4.04 1lc5A1 ASP 308 H 0.01 0.02 -0.28 -0.55 8.40 7.60 1lc5A1 ASP 308 HA 0.02 0.11 0.43 -0.75 4.63 4.43 1lc5A1 ASP 308 HB2 0.00 0.02 0.09 -0.04 2.71 2.78 1lc5A1 ASP 308 HB3 0.01 -0.03 0.05 -0.04 2.70 2.69 1lc5A1 ILE 309 H 0.02 0.41 -0.51 -0.55 8.25 7.62 1lc5A1 ILE 309 HA 0.00 0.13 0.81 -0.75 4.18 4.37 1lc5A1 ILE 309 HB -0.00 0.11 0.11 -0.04 1.89 2.07 1lc5A1 ILE 309 HG12 -0.01 0.06 -0.10 -0.04 1.49 1.40 1lc5A1 ILE 309 HG13 -0.00 -0.16 -0.17 -0.04 1.21 0.83 1lc5A1 ILE 309 HG23 -0.04 -0.02 -0.24 -0.04 0.93 0.59 1lc5A1 ILE 309 HD13 -0.02 0.01 -0.03 -0.04 0.88 0.81 1lc5A1 ASP 310 H 0.01 0.22 0.08 -0.55 8.40 8.15 1lc5A1 ASP 310 HA 0.14 0.21 0.76 -0.75 4.63 4.99 1lc5A1 ASP 310 HB2 0.04 0.14 0.06 -0.04 2.71 2.90 1lc5A1 ASP 310 HB3 0.01 -0.01 0.23 -0.04 2.70 2.89 1lc5A1 LEU 311 H -0.19 0.39 0.08 -0.55 8.37 8.10 1lc5A1 LEU 311 HA -0.18 0.10 0.28 -0.75 4.35 3.80 1lc5A1 LEU 311 HB2 -1.40 -0.01 0.01 -0.04 1.64 0.19 1lc5A1 LEU 311 HB3 -0.44 0.01 -0.06 -0.04 1.64 1.11 1lc5A1 LEU 311 HG -0.28 0.11 -0.01 -0.04 1.64 1.41 1lc5A1 LEU 311 HD13 -0.31 0.01 -0.08 -0.04 0.93 0.51 1lc5A1 LEU 311 HD23 -0.15 0.00 -0.10 -0.04 0.89 0.61 1lc5A1 GLN 312 H -0.03 0.12 -0.20 -0.55 8.47 7.81 1lc5A1 GLN 312 HA 0.02 0.08 0.44 -0.75 4.36 4.14 1lc5A1 GLN 312 HB2 0.33 0.01 -0.02 -0.04 2.15 2.43 1lc5A1 GLN 312 HB3 0.17 0.00 0.03 -0.04 2.02 2.18 1lc5A1 GLN 312 HG2 0.15 0.04 -0.17 -0.04 2.40 2.37 1lc5A1 GLN 312 HG3 0.23 -0.03 0.02 -0.04 2.39 2.57 1lc5A1 GLN 312 HE21 0.36 -0.08 0.07 -0.04 6.97 7.28 1lc5A1 GLN 312 HE22 0.31 0.45 0.12 -0.04 7.69 8.53 1lc5A1 ARG 313 H 0.01 0.08 -0.23 -0.55 8.46 7.77 1lc5A1 ARG 313 HA -0.03 0.07 0.43 -0.75 4.34 4.07 1lc5A1 ARG 313 HB2 -0.03 -0.04 0.11 -0.04 1.90 1.90 1lc5A1 ARG 313 HB3 -0.02 0.09 0.13 -0.04 1.80 1.96 1lc5A1 ARG 313 HG2 -0.03 0.03 -0.07 -0.04 1.67 1.56 1lc5A1 ARG 313 HG3 -0.05 -0.00 0.05 -0.04 1.67 1.64 1lc5A1 ARG 313 HD2 -0.05 -0.01 0.04 -0.04 3.22 3.15 1lc5A1 ARG 313 HD3 -0.03 0.01 0.02 -0.04 3.22 3.17 1lc5A1 ARG 314 H -0.04 0.52 -0.08 -0.55 8.46 8.30 1lc5A1 ARG 314 HA -0.02 0.04 0.34 -0.75 4.34 3.95 1lc5A1 ARG 314 HB2 -0.07 0.01 0.07 -0.04 1.90 1.87 1lc5A1 ARG 314 HB3 -0.04 0.03 -0.03 -0.04 1.80 1.72 1lc5A1 ARG 314 HG2 -0.03 0.08 0.04 -0.04 1.67 1.71 1lc5A1 ARG 314 HG3 -0.04 -0.02 -0.08 -0.04 1.67 1.49 1lc5A1 ARG 314 HD2 -0.02 -0.02 -0.02 -0.04 3.22 3.12 1lc5A1 ARG 314 HD3 -0.02 -0.02 -0.00 -0.04 3.22 3.14 1lc5A1 LEU 315 H -0.04 0.56 -0.17 -0.55 8.37 8.17 1lc5A1 LEU 315 HA -0.02 0.06 0.50 -0.75 4.35 4.14 1lc5A1 LEU 315 HB2 -0.02 0.05 0.10 -0.04 1.64 1.73 1lc5A1 LEU 315 HB3 -0.01 -0.05 -0.02 -0.04 1.64 1.52 1lc5A1 LEU 315 HG -0.10 0.08 -0.01 -0.04 1.64 1.58 1lc5A1 LEU 315 HD13 -0.10 -0.03 -0.10 -0.04 0.93 0.65 1lc5A1 LEU 315 HD23 -0.06 -0.00 -0.18 -0.04 0.89 0.62 1lc5A1 LEU 316 H 0.03 0.45 -0.21 -0.55 8.37 8.08 1lc5A1 LEU 316 HA 0.07 -0.00 0.36 -0.75 4.35 4.02 1lc5A1 LEU 316 HB2 0.10 0.03 0.13 -0.04 1.64 1.87 1lc5A1 LEU 316 HB3 0.04 0.12 0.11 -0.04 1.64 1.88 1lc5A1 LEU 316 HG 0.08 0.02 -0.14 -0.04 1.64 1.55 1lc5A1 LEU 316 HD13 0.14 -0.04 -0.12 -0.04 0.93 0.87 1lc5A1 LEU 316 HD23 0.15 0.00 -0.03 -0.04 0.89 0.97 1lc5A1 THR 317 H 0.01 0.38 -0.37 -0.55 8.28 7.75 1lc5A1 THR 317 HA 0.02 0.03 0.39 -0.75 4.39 4.07 1lc5A1 THR 317 HB 0.00 0.19 0.08 -0.04 4.32 4.55 1lc5A1 THR 317 HG23 0.00 -0.02 -0.03 -0.04 1.22 1.14 1lc5A1 GLN 318 H 0.02 0.37 -0.42 -0.55 8.47 7.89 1lc5A1 GLN 318 HA 0.02 0.13 0.69 -0.75 4.36 4.43 1lc5A1 GLN 318 HB2 0.01 0.05 0.11 -0.04 2.15 2.28 1lc5A1 GLN 318 HB3 0.01 -0.05 0.16 -0.04 2.02 2.10 1lc5A1 GLN 318 HG2 -0.00 0.11 0.03 -0.04 2.40 2.49 1lc5A1 GLN 318 HG3 -0.01 -0.04 0.03 -0.04 2.39 2.33 1lc5A1 GLN 318 HE21 0.00 -0.03 -0.08 -0.04 6.97 6.82 1lc5A1 GLN 318 HE22 -0.00 0.05 -0.08 -0.04 7.69 7.62 1lc5A1 ARG 319 H 0.04 0.54 -0.51 -0.55 8.46 7.98 1lc5A1 ARG 319 HA 0.06 0.06 0.25 -0.75 4.34 3.95 1lc5A1 ARG 319 HB2 0.04 0.21 0.14 -0.04 1.90 2.26 1lc5A1 ARG 319 HB3 0.05 -0.04 0.28 -0.04 1.80 2.05 1lc5A1 ARG 319 HG2 0.04 -0.03 -0.06 -0.04 1.67 1.57 1lc5A1 ARG 319 HG3 0.03 0.03 -0.25 -0.04 1.67 1.44 1lc5A1 ARG 319 HD2 0.03 -0.02 -0.03 -0.04 3.22 3.16 1lc5A1 ARG 319 HD3 0.03 0.20 0.02 -0.04 3.22 3.43 1lc5A1 ILE 320 H 0.06 0.48 -0.18 -0.55 8.25 8.05 1lc5A1 ILE 320 HA 0.14 0.23 0.95 -0.75 4.18 4.75 1lc5A1 ILE 320 HB 0.02 0.05 -0.01 -0.04 1.89 1.92 1lc5A1 ILE 320 HG12 0.10 -0.04 -0.11 -0.04 1.49 1.40 1lc5A1 ILE 320 HG13 0.05 0.18 -0.42 -0.04 1.21 0.99 1lc5A1 ILE 320 HG23 0.02 -0.03 -0.23 -0.04 0.93 0.65 1lc5A1 ILE 320 HD13 -0.02 -0.04 -0.17 -0.04 0.88 0.61 1lc5A1 LEU 321 H 0.17 0.52 0.19 -0.55 8.37 8.71 1lc5A1 LEU 321 HA 0.15 0.21 0.80 -0.75 4.35 4.75 1lc5A1 LEU 321 HB2 0.11 0.09 -0.11 -0.04 1.64 1.68 1lc5A1 LEU 321 HB3 0.12 -0.15 0.08 -0.04 1.64 1.65 1lc5A1 LEU 321 HG 0.11 -0.07 -0.32 -0.04 1.64 1.32 1lc5A1 LEU 321 HD13 0.16 0.02 -0.02 -0.04 0.93 1.05 1lc5A1 LEU 321 HD23 -0.01 -0.04 -0.25 -0.04 0.89 0.55 1lc5A1 ILE 322 H 0.17 0.24 0.13 -0.55 8.25 8.24 1lc5A1 ILE 322 HA 0.22 0.16 0.74 -0.75 4.18 4.55 1lc5A1 ILE 322 HB 0.17 0.15 0.05 -0.04 1.89 2.22 1lc5A1 ILE 322 HG12 0.11 -0.02 -0.05 -0.04 1.49 1.49 1lc5A1 ILE 322 HG13 0.24 -0.01 -0.43 -0.04 1.21 0.97 1lc5A1 ILE 322 HG23 0.06 0.02 -0.25 -0.04 0.93 0.71 1lc5A1 ILE 322 HD13 -0.13 -0.01 -0.28 -0.04 0.88 0.41 1lc5A1 ARG 323 H 0.20 0.65 0.26 -0.55 8.46 9.02 1lc5A1 ARG 323 HA 0.17 0.07 0.82 -0.75 4.34 4.65 1lc5A1 ARG 323 HB2 0.15 0.00 0.15 -0.04 1.90 2.16 1lc5A1 ARG 323 HB3 0.16 0.08 0.24 -0.04 1.80 2.24 1lc5A1 ARG 323 HG2 0.18 -0.05 -0.10 -0.04 1.67 1.66 1lc5A1 ARG 323 HG3 0.18 0.10 -0.43 -0.04 1.67 1.47 1lc5A1 ARG 323 HD2 0.13 0.07 -0.03 -0.04 3.22 3.34 1lc5A1 ARG 323 HD3 0.13 -0.06 0.03 -0.04 3.22 3.28 1lc5A1 SER 324 H 0.18 0.18 0.17 -0.55 8.46 8.45 1lc5A1 SER 324 HA 0.02 0.21 0.87 -0.75 4.49 4.83 1lc5A1 SER 324 HB2 0.17 0.01 0.11 -0.04 3.95 4.20 1lc5A1 SER 324 HB3 0.13 0.01 0.18 -0.04 3.93 4.21 1lc5A1 CYS 325 H -0.13 0.83 0.23 -0.55 8.50 8.88 1lc5A1 CYS 325 HA 0.28 0.15 0.71 -0.75 4.58 4.96 1lc5A1 CYS 325 HB2 -0.05 0.09 -0.17 -0.04 2.97 2.80 1lc5A1 CYS 325 HB3 -0.14 -0.04 0.05 -0.04 2.97 2.79 1lc5A1 ALA 326 H -0.02 0.07 -0.40 -0.55 8.40 7.51 1lc5A1 ALA 326 HA -0.01 0.06 0.03 -0.75 4.34 3.66 1lc5A1 ALA 326 HB3 -0.02 0.01 -0.03 -0.04 1.41 1.33 1lc5A1 ASN 327 H 0.00 0.10 -0.40 -0.55 8.53 7.68 1lc5A1 ASN 327 HA -0.05 0.19 0.51 -0.75 4.76 4.65 1lc5A1 ASN 327 HB2 -0.13 -0.01 0.11 -0.04 2.88 2.81 1lc5A1 ASN 327 HB3 -0.07 -0.00 -0.02 -0.04 2.79 2.66 1lc5A1 ASN 327 HD21 -0.20 0.12 0.01 -0.04 7.03 6.92 1lc5A1 ASN 327 HD22 -0.14 0.04 -0.02 -0.04 7.74 7.58 1lc5A1 TYR 328 H 0.13 0.42 -0.54 -0.55 8.29 7.75 1lc5A1 TYR 328 HA -0.09 0.13 0.79 -0.75 4.56 4.64 1lc5A1 TYR 328 HB2 -0.18 0.12 0.08 -0.04 3.06 3.04 1lc5A1 TYR 328 HB3 -0.15 0.01 -0.03 -0.04 2.98 2.76 1lc5A1 TYR 328 HD2 -0.08 0.01 0.03 -0.04 7.15 7.07 1lc5A1 TYR 328 HE2 0.01 -0.04 -0.25 -0.04 6.85 6.53 1lc5A1 PRO 329 HA -0.02 0.08 0.47 -0.51 4.44 4.46 1lc5A1 PRO 329 HB2 0.00 -0.06 0.08 -0.04 2.28 2.26 1lc5A1 PRO 329 HB3 -0.01 0.04 0.07 -0.04 2.02 2.08 1lc5A1 PRO 329 HG2 -0.03 0.00 0.07 -0.04 2.03 2.03 1lc5A1 PRO 329 HG3 -0.04 0.09 0.04 -0.04 2.03 2.09 1lc5A1 PRO 329 HD2 0.01 -0.00 0.27 -0.04 3.68 3.91 1lc5A1 PRO 329 HD3 -0.08 0.34 0.29 -0.04 3.65 4.16 1lc5A1 GLY 330 H -0.02 0.18 0.16 -0.55 8.43 8.21 1lc5A1 GLY 330 HA2 0.02 -0.03 0.33 -0.51 4.01 3.82 1lc5A1 GLY 330 HA3 -0.04 0.17 0.69 -0.51 4.01 4.32 1lc5A1 LEU 331 H -0.13 0.52 -0.28 -0.55 8.37 7.93 1lc5A1 LEU 331 HA -0.42 0.10 0.86 -0.75 4.35 4.13 1lc5A1 LEU 331 HB2 -0.24 0.22 0.03 -0.04 1.64 1.61 1lc5A1 LEU 331 HB3 -0.52 -0.08 0.08 -0.04 1.64 1.08 1lc5A1 LEU 331 HG -0.65 -0.00 -0.24 -0.04 1.64 0.70 1lc5A1 LEU 331 HD13 -0.72 -0.02 -0.08 -0.04 0.93 0.06 1lc5A1 LEU 331 HD23 -1.97 0.03 -0.13 -0.04 0.89 -1.22 1lc5A1 ASP 332 H 0.15 0.09 0.17 -0.55 8.40 8.25 1lc5A1 ASP 332 HA 0.03 0.32 0.85 -0.75 4.63 5.07 1lc5A1 ASP 332 HB2 0.07 -0.09 0.21 -0.04 2.71 2.85 1lc5A1 ASP 332 HB3 0.08 0.12 -0.06 -0.04 2.70 2.80 1lc5A1 SER 333 H 0.03 0.21 0.17 -0.55 8.46 8.32 1lc5A1 SER 333 HA -0.09 0.04 0.39 -0.75 4.49 4.08 1lc5A1 SER 333 HB2 -0.00 0.03 0.18 -0.04 3.95 4.11 1lc5A1 SER 333 HB3 -0.00 0.01 0.16 -0.04 3.93 4.06 1lc5A1 ARG 334 H 0.04 -0.01 -0.47 -0.55 8.46 7.47 1lc5A1 ARG 334 HA 0.03 0.21 0.65 -0.75 4.34 4.47 1lc5A1 ARG 334 HB2 -0.16 -0.09 0.01 -0.04 1.90 1.62 1lc5A1 ARG 334 HB3 -0.17 0.12 0.11 -0.04 1.80 1.82 1lc5A1 ARG 334 HG2 0.00 0.11 -0.10 -0.04 1.67 1.65 1lc5A1 ARG 334 HG3 0.02 -0.15 -0.02 -0.04 1.67 1.48 1lc5A1 ARG 334 HD2 -0.02 0.14 -0.01 -0.04 3.22 3.29 1lc5A1 ARG 334 HD3 0.02 -0.06 0.01 -0.04 3.22 3.15 1lc5A1 TYR 335 H 0.00 0.39 -0.11 -0.55 8.29 8.03 1lc5A1 TYR 335 HA -0.01 0.42 1.10 -0.75 4.56 5.31 1lc5A1 TYR 335 HB2 -0.19 0.04 0.10 -0.04 3.06 2.97 1lc5A1 TYR 335 HB3 -0.18 0.02 -0.01 -0.04 2.98 2.77 1lc5A1 TYR 335 HD2 -0.06 -0.01 -0.03 -0.04 7.15 7.00 1lc5A1 TYR 335 HE2 0.23 0.01 -0.07 -0.04 6.85 6.97 1lc5A1 TYR 336 H 0.20 0.73 0.46 -0.55 8.29 9.13 1lc5A1 TYR 336 HA 0.09 0.11 1.02 -0.75 4.56 5.03 1lc5A1 TYR 336 HB2 0.04 -0.01 -0.03 -0.04 3.06 3.03 1lc5A1 TYR 336 HB3 0.07 0.04 0.02 -0.04 2.98 3.06 1lc5A1 TYR 336 HD2 0.03 0.07 -0.15 -0.04 7.15 7.06 1lc5A1 TYR 336 HE2 0.01 -0.01 0.01 -0.04 6.85 6.83 1lc5A1 ARG 337 H 0.21 0.57 0.32 -0.55 8.46 9.00 1lc5A1 ARG 337 HA 0.16 0.38 1.14 -0.75 4.34 5.26 1lc5A1 ARG 337 HB2 0.04 -0.03 -0.13 -0.04 1.90 1.73 1lc5A1 ARG 337 HB3 0.11 -0.11 0.03 -0.04 1.80 1.79 1lc5A1 ARG 337 HG2 0.15 0.04 -0.23 -0.04 1.67 1.59 1lc5A1 ARG 337 HG3 0.15 0.13 -0.21 -0.04 1.67 1.70 1lc5A1 ARG 337 HD2 -0.37 -0.04 -0.17 -0.04 3.22 2.59 1lc5A1 ARG 337 HD3 -0.10 -0.07 -0.10 -0.04 3.22 2.91 1lc5A1 VAL 338 H 0.20 0.65 0.33 -0.55 8.24 8.87 1lc5A1 VAL 338 HA 0.29 0.26 1.05 -0.75 4.13 4.98 1lc5A1 VAL 338 HB 0.40 0.08 0.08 -0.04 2.12 2.64 1lc5A1 VAL 338 HG13 0.10 -0.03 -0.18 -0.04 0.97 0.82 1lc5A1 VAL 338 HG23 0.17 0.02 -0.03 -0.04 0.95 1.06 1lc5A1 ALA 339 H 0.39 0.36 0.25 -0.55 8.40 8.86 1lc5A1 ALA 339 HA 0.26 0.12 0.67 -0.75 4.34 4.63 1lc5A1 ALA 339 HB3 0.04 0.00 0.03 -0.04 1.41 1.44 1lc5A1 ILE 340 H 0.20 0.58 0.07 -0.55 8.25 8.56 1lc5A1 ILE 340 HA 0.15 0.11 0.71 -0.75 4.18 4.40 1lc5A1 ILE 340 HB 0.05 -0.07 0.06 -0.04 1.89 1.90 1lc5A1 ILE 340 HG12 0.50 0.04 -0.16 -0.04 1.49 1.83 1lc5A1 ILE 340 HG13 0.19 -0.10 -0.48 -0.04 1.21 0.78 1lc5A1 ILE 340 HG23 -0.08 0.02 -0.13 -0.04 0.93 0.69 1lc5A1 ILE 340 HD13 -0.02 0.04 -0.03 -0.04 0.88 0.83 1lc5A1 ARG 341 H -0.04 0.12 -0.05 -0.55 8.46 7.94 1lc5A1 ARG 341 HA 0.09 0.24 0.86 -0.75 4.34 4.78 1lc5A1 ARG 341 HB2 -0.23 0.00 -0.00 -0.04 1.90 1.63 1lc5A1 ARG 341 HB3 -0.20 -0.18 0.21 -0.04 1.80 1.58 1lc5A1 ARG 341 HG2 -0.25 0.14 -0.14 -0.04 1.67 1.38 1lc5A1 ARG 341 HG3 -0.73 -0.02 -0.39 -0.04 1.67 0.49 1lc5A1 ARG 341 HD2 -0.62 0.25 0.05 -0.04 3.22 2.86 1lc5A1 ARG 341 HD3 -1.21 -0.05 -0.12 -0.04 3.22 1.80 1lc5A1 SER 342 H -0.07 0.12 0.14 -0.55 8.46 8.11 1lc5A1 SER 342 HA 0.15 0.19 0.56 -0.75 4.49 4.62 1lc5A1 SER 342 HB2 -0.02 -0.01 0.16 -0.04 3.95 4.04 1lc5A1 SER 342 HB3 -0.13 0.16 0.13 -0.04 3.93 4.05 1lc5A1 ALA 343 H 0.12 0.19 0.17 -0.55 8.40 8.34 1lc5A1 ALA 343 HA 0.05 0.15 0.34 -0.75 4.34 4.13 1lc5A1 ALA 343 HB3 0.07 0.03 0.11 -0.04 1.41 1.57 1lc5A1 ALA 344 H 0.04 0.08 -0.11 -0.55 8.40 7.86 1lc5A1 ALA 344 HA 0.04 0.13 0.42 -0.75 4.34 4.17 1lc5A1 ALA 344 HB3 0.02 0.03 0.04 -0.04 1.41 1.46 1lc5A1 GLN 345 H 0.04 0.01 -0.31 -0.55 8.47 7.66 1lc5A1 GLN 345 HA 0.12 0.12 0.44 -0.75 4.36 4.29 1lc5A1 GLN 345 HB2 0.02 -0.07 0.13 -0.04 2.15 2.19 1lc5A1 GLN 345 HB3 0.10 0.07 0.00 -0.04 2.02 2.14 1lc5A1 GLN 345 HG2 0.03 0.10 0.03 -0.04 2.40 2.51 1lc5A1 GLN 345 HG3 0.01 -0.07 0.00 -0.04 2.39 2.29 1lc5A1 GLN 345 HE21 -0.08 0.08 0.07 -0.04 6.97 7.00 1lc5A1 GLN 345 HE22 -0.03 0.04 0.03 -0.04 7.69 7.68 1lc5A1 ASN 346 H 0.05 0.72 -0.17 -0.55 8.53 8.59 1lc5A1 ASN 346 HA 0.03 0.02 0.32 -0.75 4.76 4.38 1lc5A1 ASN 346 HB2 -0.10 0.09 0.06 -0.04 2.88 2.89 1lc5A1 ASN 346 HB3 -0.43 -0.00 -0.02 -0.04 2.79 2.30 1lc5A1 ASN 346 HD21 -0.22 0.07 -0.12 -0.04 7.03 6.72 1lc5A1 ASN 346 HD22 -0.24 -0.01 -0.14 -0.04 7.74 7.31 1lc5A1 GLU 347 H 0.05 0.45 -0.31 -0.55 8.60 8.25 1lc5A1 GLU 347 HA 0.07 0.01 0.43 -0.75 4.29 4.04 1lc5A1 GLU 347 HB2 0.05 0.06 0.12 -0.04 2.09 2.27 1lc5A1 GLU 347 HB3 0.04 0.13 0.13 -0.04 1.99 2.25 1lc5A1 GLU 347 HG2 0.03 -0.03 -0.01 -0.04 2.34 2.30 1lc5A1 GLU 347 HG3 0.03 0.01 -0.11 -0.04 2.34 2.23 1lc5A1 ARG 348 H 0.06 0.40 -0.22 -0.55 8.46 8.15 1lc5A1 ARG 348 HA 0.03 0.02 0.42 -0.75 4.34 4.06 1lc5A1 ARG 348 HB2 0.09 0.15 0.19 -0.04 1.90 2.29 1lc5A1 ARG 348 HB3 0.05 0.02 0.01 -0.04 1.80 1.84 1lc5A1 ARG 348 HG2 0.04 -0.02 0.04 -0.04 1.67 1.69 1lc5A1 ARG 348 HG3 0.05 0.07 0.07 -0.04 1.67 1.82 1lc5A1 ARG 348 HD2 0.04 -0.04 -0.00 -0.04 3.22 3.18 1lc5A1 ARG 348 HD3 0.08 -0.06 0.01 -0.04 3.22 3.21 1lc5A1 LEU 349 H -0.03 0.36 -0.21 -0.55 8.37 7.95 1lc5A1 LEU 349 HA -0.13 0.05 0.38 -0.75 4.35 3.89 1lc5A1 LEU 349 HB2 -0.83 -0.01 0.05 -0.04 1.64 0.80 1lc5A1 LEU 349 HB3 -0.21 0.10 0.11 -0.04 1.64 1.61 1lc5A1 LEU 349 HG -0.24 -0.04 -0.00 -0.04 1.64 1.32 1lc5A1 LEU 349 HD13 -0.80 -0.01 -0.07 -0.04 0.93 0.01 1lc5A1 LEU 349 HD23 -0.04 0.00 -0.28 -0.04 0.89 0.53 1lc5A1 LEU 350 H 0.06 0.60 -0.07 -0.55 8.37 8.42 1lc5A1 LEU 350 HA -0.00 0.00 0.39 -0.75 4.35 3.98 1lc5A1 LEU 350 HB2 0.07 0.06 0.17 -0.04 1.64 1.89 1lc5A1 LEU 350 HB3 0.03 -0.02 -0.03 -0.04 1.64 1.58 1lc5A1 LEU 350 HG 0.31 0.11 0.04 -0.04 1.64 2.05 1lc5A1 LEU 350 HD13 0.18 -0.02 -0.07 -0.04 0.93 0.98 1lc5A1 LEU 350 HD23 -0.03 0.00 -0.07 -0.04 0.89 0.75 1lc5A1 ALA 351 H 0.01 0.68 -0.14 -0.55 8.40 8.40 1lc5A1 ALA 351 HA -0.00 -0.02 0.36 -0.75 4.34 3.93 1lc5A1 ALA 351 HB3 0.01 0.02 0.09 -0.04 1.41 1.49 1lc5A1 ALA 352 H -0.02 0.42 -0.33 -0.55 8.40 7.92 1lc5A1 ALA 352 HA -0.02 0.04 0.50 -0.75 4.34 4.11 1lc5A1 ALA 352 HB3 -0.03 0.02 0.10 -0.04 1.41 1.46 1lc5A1 LEU 353 H -0.05 0.61 0.01 -0.55 8.37 8.39 1lc5A1 LEU 353 HA -0.07 -0.00 0.42 -0.75 4.35 3.94 1lc5A1 LEU 353 HB2 -0.07 0.10 0.14 -0.04 1.64 1.77 1lc5A1 LEU 353 HB3 -0.08 -0.02 -0.06 -0.04 1.64 1.44 1lc5A1 LEU 353 HG -0.10 0.06 -0.01 -0.04 1.64 1.55 1lc5A1 LEU 353 HD13 -0.11 -0.01 -0.09 -0.04 0.93 0.68 1lc5A1 LEU 353 HD23 -0.12 -0.02 -0.05 -0.04 0.89 0.66 1lc5A1 ARG 354 H -0.04 0.68 -0.12 -0.55 8.46 8.43 1lc5A1 ARG 354 HA -0.04 -0.01 0.44 -0.75 4.34 3.98 1lc5A1 ARG 354 HB2 -0.02 0.11 0.08 -0.04 1.90 2.03 1lc5A1 ARG 354 HB3 -0.02 -0.05 -0.01 -0.04 1.80 1.68 1lc5A1 ARG 354 HG2 -0.03 -0.03 0.01 -0.04 1.67 1.58 1lc5A1 ARG 354 HG3 -0.03 0.07 0.05 -0.04 1.67 1.71 1lc5A1 ARG 354 HD2 -0.01 0.01 -0.22 -0.04 3.22 2.96 1lc5A1 ARG 354 HD3 -0.01 -0.04 -0.05 -0.04 3.22 3.07 1lc5A1 ASN 355 H -0.03 0.35 -0.38 -0.55 8.53 7.93 1lc5A1 ASN 355 HA -0.02 0.03 0.41 -0.75 4.76 4.44 1lc5A1 ASN 355 HB2 -0.02 0.16 0.12 -0.04 2.88 3.10 1lc5A1 ASN 355 HB3 -0.02 -0.06 0.06 -0.04 2.79 2.73 1lc5A1 ASN 355 HD21 -0.01 -0.11 0.01 -0.04 7.03 6.88 1lc5A1 ASN 355 HD22 -0.01 0.00 0.02 -0.04 7.74 7.72 1lc5A1 VAL 356 H -0.04 0.28 -0.49 -0.55 8.24 7.44 1lc5A1 VAL 356 HA -0.03 0.09 0.71 -0.75 4.13 4.15 1lc5A1 VAL 356 HB -0.06 0.09 0.10 -0.04 2.12 2.21 1lc5A1 VAL 356 HG13 -0.05 -0.04 -0.17 -0.04 0.97 0.66 1lc5A1 VAL 356 HG23 -0.05 0.03 -0.07 -0.04 0.95 0.82 1lc5A1 LEU 357 H -0.04 0.55 -0.01 -0.55 8.37 8.32 1lc5A1 LEU 357 HA -0.04 0.11 0.60 -0.75 4.35 4.27 1lc5A1 LEU 357 HB2 -0.05 0.04 0.07 -0.04 1.64 1.66 1lc5A1 LEU 357 HB3 -0.05 0.07 0.06 -0.04 1.64 1.68 1lc5A1 LEU 357 HG -0.06 -0.06 -0.11 -0.04 1.64 1.36 1lc5A1 LEU 357 HD13 -0.07 0.02 -0.08 -0.04 0.93 0.75 1lc5A1 LEU 357 HD23 -0.05 0.01 -0.08 -0.04 0.89 0.73