============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. TYR 6 0.840 67.123 40.687 7.376 -99.200 -91.000 PHE 11 1.000 58.347 32.789 2.472 -99.200 -91.000 PHE 16 1.000 62.146 40.439 8.793 -99.200 -91.000 PHE 20 1.000 61.414 49.289 3.603 -99.200 -91.000 TYR 27 0.840 70.422 56.828 4.978 -99.200 -91.000 HIS 44 0.900 45.671 58.084 -4.317 -99.200 -91.000 PHE 63 1.000 64.683 66.713 -16.798 -99.200 -91.000 PHE 65 1.000 57.952 56.887 -13.851 -99.200 -91.000 TYR 74 0.840 46.522 57.942 -9.255 -99.200 -91.000 PHE 81 1.000 52.513 69.012 -15.107 -99.200 -91.000 TYR 88 0.840 70.136 66.870 -14.416 -99.200 -91.000 HIS 113 0.900 64.638 66.745 -3.571 -99.200 -91.000 TYR 115 0.840 67.888 61.626 -14.223 -99.200 -91.000 PHE 146 1.000 72.025 62.367 3.882 -99.200 -91.000 TYR 147 0.840 69.810 72.458 0.738 -99.200 -91.000 PHE 155 1.000 65.952 69.728 3.514 -99.200 -91.000 PHE 158 1.000 52.167 64.784 4.340 -99.200 -91.000 TYR 161 0.840 63.225 58.755 1.651 -99.200 -91.000 TYR 163 0.840 62.946 51.855 -0.263 -99.200 -91.000 PHE 190 1.000 41.147 55.489 8.801 -99.200 -91.000 TYR 191 0.840 42.454 58.407 4.371 -99.200 -91.000 HIS 201 0.900 32.124 46.025 14.420 -99.200 -91.000 TYR 202 0.840 37.143 43.773 8.358 -99.200 -91.000 HIS 204 0.900 35.467 49.737 6.708 -99.200 -91.000 TYR 207 0.840 37.221 56.850 -0.678 -99.200 -91.000 TYR 209 0.840 43.151 55.300 -1.092 -99.200 -91.000 TYR 211 0.840 47.419 53.191 -2.480 -99.200 -91.000 TYR 239 0.840 78.194 62.426 -11.460 -99.200 -91.000 TRP 241 1.040 85.916 55.273 -10.943 -99.200 -91.000 TRP6 241 1.020 85.003 53.243 -10.134 -99.200 -91.000 TYR 242 0.840 79.613 56.166 -16.608 -99.200 -91.000 PHE 245 1.000 87.602 56.339 -16.589 -99.200 -91.000 TYR 249 0.840 85.665 64.659 -26.697 -99.200 -91.000 PHE 250 1.000 79.109 62.481 -23.498 -99.200 -91.000 PHE 252 1.000 80.014 63.367 -16.768 -99.200 -91.000 TRP 264 1.040 69.494 54.484 -7.233 -99.200 -91.000 TRP6 264 1.020 70.572 53.775 -5.251 -99.200 -91.000 PHE 272 1.000 74.554 72.478 -20.587 -99.200 -91.000 HIS 294 0.900 73.827 66.885 -30.349 -99.200 -91.000 TRP 315 1.040 63.214 60.777 -15.461 -99.200 -91.000 TRP6 315 1.020 61.855 58.843 -15.542 -99.200 -91.000 HIS 319 0.900 57.589 71.481 -20.704 -99.200 -91.000 PHE 324 1.000 50.133 65.345 -16.790 -99.200 -91.000 TYR 330 0.840 53.665 80.008 -14.809 -99.200 -91.000 PHE 338 1.000 69.360 70.641 -18.114 -99.200 -91.000 PHE 339 1.000 63.680 63.841 -24.619 -99.200 -91.000 TYR 357 0.840 89.709 53.436 -19.800 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1o62B1 GLY 12 HA2 -0.03 -0.07 0.22 -0.51 4.01 3.62 1o62B1 GLY 12 HA3 -0.03 -0.01 0.20 -0.51 4.01 3.66 1o62B1 ASN 13 H -0.13 0.18 0.11 -0.55 8.53 8.14 1o62B1 ASN 13 HA -0.25 0.22 0.77 -0.75 4.76 4.74 1o62B1 ASN 13 HB2 -0.55 0.03 0.08 -0.04 2.88 2.40 1o62B1 ASN 13 HB3 -1.43 -0.08 0.14 -0.04 2.79 1.38 1o62B1 ASN 13 HD21 -0.04 0.06 -0.03 -0.04 7.03 6.97 1o62B1 ASN 13 HD22 -0.08 -0.00 0.01 -0.04 7.74 7.63 1o62B1 GLU 14 H -0.11 0.15 -0.22 -0.55 8.60 7.88 1o62B1 GLU 14 HA -0.07 0.08 0.28 -0.75 4.29 3.82 1o62B1 GLU 14 HB2 -0.05 -0.00 0.07 -0.04 2.09 2.07 1o62B1 GLU 14 HB3 -0.06 0.05 -0.05 -0.04 1.99 1.89 1o62B1 GLU 14 HG2 -0.03 0.03 0.02 -0.04 2.34 2.32 1o62B1 GLU 14 HG3 -0.03 0.00 0.08 -0.04 2.34 2.35 1o62B1 LEU 15 H -0.08 0.19 -0.12 -0.55 8.37 7.81 1o62B1 LEU 15 HA -0.07 0.05 0.36 -0.75 4.35 3.93 1o62B1 LEU 15 HB2 -0.05 0.04 0.04 -0.04 1.64 1.63 1o62B1 LEU 15 HB3 -0.03 0.06 -0.02 -0.04 1.64 1.61 1o62B1 LEU 15 HG -0.03 -0.06 0.03 -0.04 1.64 1.54 1o62B1 LEU 15 HD13 -0.01 0.03 -0.00 -0.04 0.93 0.90 1o62B1 LEU 15 HD23 -0.01 0.01 -0.01 -0.04 0.89 0.83 1o62B1 LYS 16 H -0.13 0.11 -0.34 -0.55 8.42 7.50 1o62B1 LYS 16 HA -0.04 0.06 0.39 -0.75 4.32 3.98 1o62B1 LYS 16 HB2 -0.11 0.01 0.10 -0.04 1.87 1.84 1o62B1 LYS 16 HB3 -0.30 0.10 0.19 -0.04 1.79 1.73 1o62B1 LYS 16 HG2 0.07 -0.00 -0.29 -0.04 1.46 1.20 1o62B1 LYS 16 HG3 0.00 0.00 0.00 -0.04 1.46 1.43 1o62B1 LYS 16 HD2 -0.07 0.02 0.00 -0.04 1.69 1.60 1o62B1 LYS 16 HD3 -0.27 -0.02 0.01 -0.04 1.68 1.35 1o62B1 LYS 16 HE2 0.21 -0.01 -0.06 -0.04 2.99 3.09 1o62B1 LYS 16 HE3 0.07 0.01 -0.03 -0.04 2.99 3.00 1o62B1 TYR 17 H -0.20 0.76 0.01 -0.55 8.29 8.31 1o62B1 TYR 17 HA -0.17 0.04 0.44 -0.75 4.56 4.12 1o62B1 TYR 17 HB2 -0.25 0.10 0.08 -0.04 3.06 2.95 1o62B1 TYR 17 HB3 -0.78 -0.10 0.02 -0.04 2.98 2.08 1o62B1 TYR 17 HD2 0.06 0.05 -0.05 -0.04 7.15 7.18 1o62B1 TYR 17 HE2 0.11 0.01 -0.10 -0.04 6.85 6.83 1o62B1 ILE 18 H -0.17 0.74 -0.05 -0.55 8.25 8.22 1o62B1 ILE 18 HA -0.48 -0.04 0.42 -0.75 4.18 3.33 1o62B1 ILE 18 HB -0.18 0.07 0.11 -0.04 1.89 1.85 1o62B1 ILE 18 HG12 -0.26 -0.04 0.04 -0.04 1.49 1.18 1o62B1 ILE 18 HG13 -0.18 0.19 0.02 -0.04 1.21 1.19 1o62B1 ILE 18 HG23 -0.49 -0.02 -0.09 -0.04 0.93 0.29 1o62B1 ILE 18 HD13 -0.09 -0.03 -0.11 -0.04 0.88 0.60 1o62B1 GLU 19 H -0.12 0.70 -0.17 -0.55 8.60 8.46 1o62B1 GLU 19 HA 0.03 -0.02 0.43 -0.75 4.29 3.99 1o62B1 GLU 19 HB2 0.00 0.07 0.16 -0.04 2.09 2.28 1o62B1 GLU 19 HB3 0.00 0.15 0.17 -0.04 1.99 2.27 1o62B1 GLU 19 HG2 0.05 -0.00 -0.08 -0.04 2.34 2.28 1o62B1 GLU 19 HG3 0.09 -0.05 0.08 -0.04 2.34 2.41 1o62B1 GLU 20 H -0.05 0.44 -0.22 -0.55 8.60 8.24 1o62B1 GLU 20 HA 0.07 0.02 0.42 -0.75 4.29 4.04 1o62B1 GLU 20 HB2 0.09 0.12 0.19 -0.04 2.09 2.45 1o62B1 GLU 20 HB3 0.22 -0.01 -0.01 -0.04 1.99 2.15 1o62B1 GLU 20 HG2 0.12 -0.02 0.02 -0.04 2.34 2.41 1o62B1 GLU 20 HG3 0.12 0.16 0.06 -0.04 2.34 2.63 1o62B1 VAL 21 H -0.26 0.44 -0.18 -0.55 8.24 7.69 1o62B1 VAL 21 HA 0.01 0.01 0.36 -0.75 4.13 3.76 1o62B1 VAL 21 HB -0.56 0.22 0.21 -0.04 2.12 1.95 1o62B1 VAL 21 HG13 -0.13 -0.05 -0.21 -0.04 0.97 0.53 1o62B1 VAL 21 HG23 -0.46 0.02 -0.04 -0.04 0.95 0.43 1o62B1 PHE 22 H -0.19 0.47 -0.18 -0.55 8.34 7.87 1o62B1 PHE 22 HA 0.01 0.02 0.48 -0.75 4.62 4.38 1o62B1 PHE 22 HB2 -0.00 0.13 0.18 -0.04 3.15 3.41 1o62B1 PHE 22 HB3 0.00 -0.03 0.02 -0.04 3.06 3.02 1o62B1 PHE 22 HD2 -0.01 0.01 -0.04 -0.04 7.28 7.20 1o62B1 PHE 22 HE2 -0.01 -0.05 -0.03 -0.04 7.38 7.25 1o62B1 PHE 22 HZ -0.02 -0.04 -0.01 -0.04 7.32 7.21 1o62B1 LYS 23 H 0.13 0.53 -0.06 -0.55 8.42 8.47 1o62B1 LYS 23 HA 0.09 0.00 0.43 -0.75 4.32 4.09 1o62B1 SER 24 H 0.11 0.11 -1.29 -0.55 8.46 6.84 1o62B1 SER 24 HA 0.09 0.10 0.20 -0.75 4.49 4.12 1o62B1 SER 24 HB2 0.06 0.20 0.03 -0.04 3.95 4.19 1o62B1 SER 24 HB3 0.06 -0.10 0.11 -0.04 3.93 3.96 1o62B1 GLY 31 HA2 0.06 -0.11 0.19 -0.51 4.01 3.64 1o62B1 GLY 31 HA3 0.04 0.08 0.21 -0.51 4.01 3.83 1o62B1 GLU 32 H 0.04 0.32 0.35 -0.55 8.60 8.76 1o62B1 GLU 32 HA -0.07 0.09 0.40 -0.75 4.29 3.96 1o62B1 GLU 32 HB2 -0.08 0.09 0.12 -0.04 2.09 2.18 1o62B1 GLU 32 HB3 0.00 0.02 0.39 -0.04 1.99 2.36 1o62B1 GLU 32 HG2 -0.89 -0.06 -0.27 -0.04 2.34 1.08 1o62B1 GLU 32 HG3 -0.37 -0.03 -0.09 -0.04 2.34 1.81 1o62B1 PHE 33 H 0.23 0.16 -0.10 -0.55 8.34 8.07 1o62B1 PHE 33 HA -0.08 0.10 0.47 -0.75 4.62 4.36 1o62B1 PHE 33 HB2 -0.08 0.07 0.03 -0.04 3.15 3.12 1o62B1 PHE 33 HB3 -0.12 -0.03 -0.29 -0.04 3.06 2.58 1o62B1 PHE 33 HD2 -0.21 -0.03 0.01 -0.04 7.28 7.02 1o62B1 PHE 33 HE2 -0.71 0.06 -0.04 -0.04 7.38 6.65 1o62B1 PHE 33 HZ -0.13 0.04 0.00 -0.04 7.32 7.19 1o62B1 VAL 34 H 0.10 0.21 -0.34 -0.55 8.24 7.66 1o62B1 VAL 34 HA 0.15 0.01 0.47 -0.75 4.13 4.01 1o62B1 VAL 34 HB 0.07 0.18 0.09 -0.04 2.12 2.41 1o62B1 VAL 34 HG13 0.10 -0.00 -0.06 -0.04 0.97 0.97 1o62B1 VAL 34 HG23 0.07 0.01 -0.20 -0.04 0.95 0.78 1o62B1 ASN 35 H 0.03 0.59 -0.11 -0.55 8.53 8.49 1o62B1 ASN 35 HA 0.03 0.04 0.46 -0.75 4.76 4.53 1o62B1 ASN 35 HB2 -0.04 0.18 0.16 -0.04 2.88 3.14 1o62B1 ASN 35 HB3 -0.01 -0.02 0.02 -0.04 2.79 2.73 1o62B1 ASN 35 HD21 0.00 -0.00 -0.07 -0.04 7.03 6.92 1o62B1 ASN 35 HD22 -0.02 -0.01 -0.03 -0.04 7.74 7.64 1o62B1 ARG 36 H -0.04 0.44 -0.07 -0.55 8.46 8.23 1o62B1 ARG 36 HA -0.04 0.06 0.41 -0.75 4.34 4.01 1o62B1 ARG 36 HB2 -0.15 -0.01 0.14 -0.04 1.90 1.84 1o62B1 ARG 36 HB3 -0.09 -0.02 -0.04 -0.04 1.80 1.61 1o62B1 ARG 36 HG2 -0.16 -0.00 0.02 -0.04 1.67 1.48 1o62B1 ARG 36 HG3 -0.26 0.15 0.02 -0.04 1.67 1.54 1o62B1 ARG 36 HD2 -0.42 0.02 -0.05 -0.04 3.22 2.74 1o62B1 ARG 36 HD3 -0.90 -0.05 -0.08 -0.04 3.22 2.15 1o62B1 PHE 37 H 0.19 0.52 -0.33 -0.55 8.34 8.17 1o62B1 PHE 37 HA -0.01 -0.00 0.33 -0.75 4.62 4.19 1o62B1 PHE 37 HB2 -0.00 0.18 0.16 -0.04 3.15 3.45 1o62B1 PHE 37 HB3 -0.02 0.11 0.16 -0.04 3.06 3.27 1o62B1 PHE 37 HD2 -0.07 0.01 -0.16 -0.04 7.28 7.02 1o62B1 PHE 37 HE2 -0.30 0.07 -0.10 -0.04 7.38 7.01 1o62B1 PHE 37 HZ -1.90 -0.02 -0.17 -0.04 7.32 5.19 1o62B1 GLU 38 H 0.06 0.48 -0.23 -0.55 8.60 8.37 1o62B1 GLU 38 HA -0.17 -0.05 0.30 -0.75 4.29 3.62 1o62B1 GLU 38 HB2 0.00 0.17 0.15 -0.04 2.09 2.37 1o62B1 GLU 38 HB3 -0.02 0.00 -0.06 -0.04 1.99 1.87 1o62B1 GLU 38 HG2 -0.03 -0.17 -0.25 -0.04 2.34 1.84 1o62B1 GLU 38 HG3 0.02 0.11 0.07 -0.04 2.34 2.50 1o62B1 GLN 39 H 0.00 0.55 -0.20 -0.55 8.47 8.28 1o62B1 GLN 39 HA -0.00 0.03 0.38 -0.75 4.36 4.02 1o62B1 GLN 39 HB2 -0.01 0.05 0.10 -0.04 2.15 2.26 1o62B1 GLN 39 HB3 0.00 0.10 0.14 -0.04 2.02 2.22 1o62B1 GLN 39 HG2 -0.01 -0.01 -0.03 -0.04 2.40 2.32 1o62B1 GLN 39 HG3 0.01 -0.03 -0.17 -0.04 2.39 2.16 1o62B1 GLN 39 HE21 0.00 0.04 -0.02 -0.04 6.97 6.95 1o62B1 GLN 39 HE22 0.01 -0.04 -0.01 -0.04 7.69 7.61 1o62B1 SER 40 H 0.03 0.63 -0.18 -0.55 8.46 8.39 1o62B1 SER 40 HA 0.06 0.03 0.38 -0.75 4.49 4.20 1o62B1 SER 40 HB2 0.10 -0.05 0.03 -0.04 3.95 3.99 1o62B1 SER 40 HB3 0.09 0.04 0.09 -0.04 3.93 4.11 1o62B1 VAL 41 H -0.06 0.42 -0.33 -0.55 8.24 7.72 1o62B1 VAL 41 HA 0.03 0.02 0.47 -0.75 4.13 3.90 1o62B1 VAL 41 HB -0.08 0.15 0.06 -0.04 2.12 2.22 1o62B1 VAL 41 HG13 0.13 -0.03 -0.18 -0.04 0.97 0.86 1o62B1 VAL 41 HG23 -0.25 0.03 -0.06 -0.04 0.95 0.63 1o62B1 LYS 42 H 0.01 0.49 -0.16 -0.55 8.42 8.21 1o62B1 LYS 42 HA 0.04 -0.04 0.39 -0.75 4.32 3.96 1o62B1 LYS 42 HB2 0.01 0.07 0.14 -0.04 1.87 2.05 1o62B1 LYS 42 HB3 0.01 0.09 -0.05 -0.04 1.79 1.80 1o62B1 LYS 42 HG2 0.01 0.05 -0.37 -0.04 1.46 1.10 1o62B1 LYS 42 HG3 0.01 -0.06 -0.16 -0.04 1.46 1.21 1o62B1 LYS 42 HD2 -0.00 -0.15 -0.19 -0.04 1.69 1.30 1o62B1 LYS 42 HD3 -0.00 -0.02 -0.18 -0.04 1.68 1.43 1o62B1 LYS 42 HE2 -0.00 0.01 -0.07 -0.04 2.99 2.88 1o62B1 LYS 42 HE3 -0.00 0.14 -0.33 -0.04 2.99 2.76 1o62B1 ASP 43 H 0.05 0.62 -0.12 -0.55 8.40 8.41 1o62B1 ASP 43 HA 0.03 0.04 0.34 -0.75 4.63 4.28 1o62B1 ASP 43 HB2 0.08 0.05 0.08 -0.04 2.71 2.88 1o62B1 ASP 43 HB3 0.05 -0.04 0.00 -0.04 2.70 2.67 1o62B1 TYR 44 H 0.17 0.37 -0.31 -0.55 8.29 7.97 1o62B1 TYR 44 HA 0.05 0.07 0.53 -0.75 4.56 4.47 1o62B1 TYR 44 HB2 0.03 0.07 0.13 -0.04 3.06 3.25 1o62B1 TYR 44 HB3 -0.02 -0.03 0.17 -0.04 2.98 3.06 1o62B1 TYR 44 HD2 -0.02 0.02 -0.10 -0.04 7.15 7.01 1o62B1 TYR 44 HE2 0.01 -0.10 -0.01 -0.04 6.85 6.71 1o62B1 SER 45 H 0.15 0.73 0.05 -0.55 8.46 8.85 1o62B1 SER 45 HA 0.01 0.08 0.65 -0.75 4.49 4.48 1o62B1 SER 45 HB2 0.13 -0.05 0.02 -0.04 3.95 4.01 1o62B1 SER 45 HB3 0.17 -0.07 0.06 -0.04 3.93 4.05 1o62B1 LYS 46 H 0.03 0.57 -0.18 -0.55 8.42 8.29 1o62B1 LYS 46 HA 0.00 0.12 0.29 -0.75 4.32 3.98 1o62B1 LYS 46 HB2 -0.01 0.21 0.27 -0.04 1.87 2.29 1o62B1 LYS 46 HB3 -0.02 -0.09 0.17 -0.04 1.79 1.80 1o62B1 LYS 46 HG2 -0.01 0.04 -0.49 -0.04 1.46 0.96 1o62B1 LYS 46 HG3 -0.01 -0.07 -0.06 -0.04 1.46 1.28 1o62B1 LYS 46 HD2 -0.01 -0.08 0.01 -0.04 1.69 1.57 1o62B1 LYS 46 HD3 -0.01 0.18 -0.04 -0.04 1.68 1.77 1o62B1 LYS 46 HE2 -0.03 -0.09 -0.00 -0.04 2.99 2.83 1o62B1 LYS 46 HE3 -0.02 -0.05 0.02 -0.04 2.99 2.90 1o62B1 SER 47 H 0.03 -0.03 -0.37 -0.55 8.46 7.55 1o62B1 SER 47 HA -0.03 0.09 0.44 -0.75 4.49 4.24 1o62B1 SER 47 HB2 0.01 0.02 -0.05 -0.04 3.95 3.89 1o62B1 SER 47 HB3 0.03 -0.03 -0.07 -0.04 3.93 3.82 1o62B1 GLU 48 H -0.03 0.16 0.20 -0.55 8.60 8.38 1o62B1 GLU 48 HA -0.01 0.19 0.65 -0.75 4.29 4.36 1o62B1 GLU 48 HB2 -0.04 0.02 0.10 -0.04 2.09 2.14 1o62B1 GLU 48 HB3 -0.02 -0.04 0.13 -0.04 1.99 2.01 1o62B1 GLU 48 HG2 -0.02 0.07 -0.01 -0.04 2.34 2.33 1o62B1 GLU 48 HG3 -0.04 0.03 0.09 -0.04 2.34 2.38 1o62B1 ASN 49 H -0.02 0.13 -0.07 -0.55 8.53 8.03 1o62B1 ASN 49 HA -0.01 0.19 0.87 -0.75 4.76 5.05 1o62B1 ASN 49 HB2 -0.03 0.00 -0.04 -0.04 2.88 2.77 1o62B1 ASN 49 HB3 -0.00 -0.01 -0.09 -0.04 2.79 2.64 1o62B1 ASN 49 HD21 -0.04 -0.00 -0.30 -0.04 7.03 6.64 1o62B1 ASN 49 HD22 -0.06 0.31 -0.35 -0.04 7.74 7.61 1o62B1 ALA 50 H 0.00 0.28 0.13 -0.55 8.40 8.27 1o62B1 ALA 50 HA 0.01 0.29 0.92 -0.75 4.34 4.80 1o62B1 ALA 50 HB3 -0.02 -0.01 -0.10 -0.04 1.41 1.25 1o62B1 LEU 51 H 0.01 0.51 0.24 -0.55 8.37 8.58 1o62B1 LEU 51 HA 0.04 0.14 0.88 -0.75 4.35 4.65 1o62B1 LEU 51 HB2 0.05 0.07 -0.13 -0.04 1.64 1.59 1o62B1 LEU 51 HB3 0.05 0.01 0.12 -0.04 1.64 1.78 1o62B1 LEU 51 HG 0.07 -0.06 -0.39 -0.04 1.64 1.22 1o62B1 LEU 51 HD13 0.07 0.01 -0.02 -0.04 0.93 0.94 1o62B1 LEU 51 HD23 0.09 0.02 -0.22 -0.04 0.89 0.74 1o62B1 ALA 52 H 0.05 0.20 0.13 -0.55 8.40 8.24 1o62B1 ALA 52 HA 0.08 0.14 0.73 -0.75 4.34 4.53 1o62B1 ALA 52 HB3 0.19 0.01 0.12 -0.04 1.41 1.68 1o62B1 LEU 53 H 0.11 0.66 0.40 -0.55 8.37 8.99 1o62B1 LEU 53 HA 0.10 0.24 1.01 -0.75 4.35 4.94 1o62B1 LEU 53 HB2 0.01 -0.07 -0.05 -0.04 1.64 1.49 1o62B1 LEU 53 HB3 0.00 -0.04 0.12 -0.04 1.64 1.68 1o62B1 LEU 53 HG 0.06 0.03 -0.60 -0.04 1.64 1.09 1o62B1 LEU 53 HD13 0.00 -0.02 -0.20 -0.04 0.93 0.68 1o62B1 LEU 53 HD23 0.13 0.02 -0.24 -0.04 0.89 0.76 1o62B1 ASN 54 H 0.06 0.63 0.25 -0.55 8.53 8.93 1o62B1 ASN 54 HA 0.07 0.04 0.36 -0.75 4.76 4.47 1o62B1 ASN 54 HB2 0.06 -0.04 0.11 -0.04 2.88 2.97 1o62B1 ASN 54 HB3 0.07 -0.03 -0.02 -0.04 2.79 2.77 1o62B1 ASN 54 HD21 0.14 0.08 -0.14 -0.04 7.03 7.07 1o62B1 ASN 54 HD22 0.24 0.02 0.12 -0.04 7.74 8.08 1o62B1 SER 55 H -0.05 0.21 -0.12 -0.55 8.46 7.96 1o62B1 SER 55 HA 0.06 0.18 0.29 -0.75 4.49 4.26 1o62B1 SER 55 HB2 0.02 -0.05 0.14 -0.04 3.95 4.03 1o62B1 SER 55 HB3 0.02 0.27 -0.26 -0.04 3.93 3.91 1o62B1 ALA 56 H 0.03 0.24 0.13 -0.55 8.40 8.26 1o62B1 ALA 56 HA -0.01 0.14 0.48 -0.75 4.34 4.20 1o62B1 ALA 56 HB3 0.00 0.03 -0.01 -0.04 1.41 1.39 1o62B1 THR 57 H -0.03 0.08 -0.08 -0.55 8.28 7.70 1o62B1 THR 57 HA -0.10 0.21 0.38 -0.75 4.39 4.13 1o62B1 THR 57 HB -0.03 -0.05 0.01 -0.04 4.32 4.21 1o62B1 THR 57 HG23 -0.00 0.05 -0.10 -0.04 1.22 1.13 1o62B1 ALA 58 H -0.18 -0.00 -0.41 -0.55 8.40 7.26 1o62B1 ALA 58 HA -0.48 0.13 0.33 -0.75 4.34 3.57 1o62B1 ALA 58 HB3 -0.93 0.04 0.03 -0.04 1.41 0.50 1o62B1 ALA 59 H -0.13 0.25 -0.36 -0.55 8.40 7.61 1o62B1 ALA 59 HA -0.07 0.06 0.31 -0.75 4.34 3.89 1o62B1 ALA 59 HB3 -0.04 0.03 0.01 -0.04 1.41 1.37 1o62B1 LEU 60 H -0.09 0.55 -0.17 -0.55 8.37 8.11 1o62B1 LEU 60 HA -0.11 0.01 0.33 -0.75 4.35 3.83 1o62B1 LEU 60 HB2 -0.11 0.10 0.12 -0.04 1.64 1.71 1o62B1 LEU 60 HB3 -0.12 0.02 -0.04 -0.04 1.64 1.46 1o62B1 LEU 60 HG -0.09 0.07 -0.00 -0.04 1.64 1.58 1o62B1 LEU 60 HD13 -0.12 0.04 -0.00 -0.04 0.93 0.80 1o62B1 LEU 60 HD23 -0.10 -0.02 -0.14 -0.04 0.89 0.59 1o62B1 HIS 61 H -0.01 0.53 -0.24 -0.55 8.41 8.15 1o62B1 HIS 61 HA -0.08 0.01 0.31 -0.75 4.63 4.12 1o62B1 HIS 61 HB2 0.02 0.02 0.07 -0.04 3.26 3.34 1o62B1 HIS 61 HB3 -0.09 0.10 0.13 -0.04 3.20 3.30 1o62B1 HIS 61 HD2 0.02 -0.01 -0.03 -0.04 6.97 6.91 1o62B1 HIS 61 HE1 0.08 0.03 -0.10 -0.04 7.75 7.71 1o62B1 LEU 62 H -0.08 0.58 -0.14 -0.55 8.37 8.19 1o62B1 LEU 62 HA -0.18 0.05 0.36 -0.75 4.35 3.82 1o62B1 LEU 62 HB2 -0.03 0.07 0.05 -0.04 1.64 1.69 1o62B1 LEU 62 HB3 0.04 -0.05 0.00 -0.04 1.64 1.60 1o62B1 LEU 62 HG -0.01 0.16 0.00 -0.04 1.64 1.74 1o62B1 LEU 62 HD13 0.18 -0.01 -0.11 -0.04 0.93 0.95 1o62B1 LEU 62 HD23 -0.22 -0.01 -0.12 -0.04 0.89 0.50 1o62B1 ALA 63 H -0.17 0.48 -0.28 -0.55 8.40 7.88 1o62B1 ALA 63 HA -0.78 0.01 0.35 -0.75 4.34 3.16 1o62B1 ALA 63 HB3 -0.43 0.01 0.02 -0.04 1.41 0.97 1o62B1 LEU 64 H -0.16 0.63 -0.13 -0.55 8.37 8.15 1o62B1 LEU 64 HA -0.14 -0.01 0.29 -0.75 4.35 3.73 1o62B1 LEU 64 HB2 -0.03 0.17 0.06 -0.04 1.64 1.81 1o62B1 LEU 64 HB3 -0.04 0.01 -0.13 -0.04 1.64 1.43 1o62B1 LEU 64 HG -0.11 0.02 -0.08 -0.04 1.64 1.44 1o62B1 LEU 64 HD13 -0.09 -0.02 -0.30 -0.04 0.93 0.48 1o62B1 LEU 64 HD23 -0.09 -0.01 -0.14 -0.04 0.89 0.61 1o62B1 ARG 65 H -0.08 0.45 -0.23 -0.55 8.46 8.05 1o62B1 ARG 65 HA -0.02 0.16 0.40 -0.75 4.34 4.13 1o62B1 ARG 65 HB2 -0.10 0.01 0.03 -0.04 1.90 1.81 1o62B1 ARG 65 HB3 -0.13 -0.01 0.09 -0.04 1.80 1.71 1o62B1 ARG 65 HG2 -0.06 -0.01 -0.30 -0.04 1.67 1.26 1o62B1 ARG 65 HG3 -0.07 0.05 -0.00 -0.04 1.67 1.61 1o62B1 ARG 65 HD2 -0.20 -0.00 -0.06 -0.04 3.22 2.91 1o62B1 ARG 65 HD3 -0.73 -0.05 -0.06 -0.04 3.22 2.33 1o62B1 VAL 66 H -0.05 0.64 -0.05 -0.55 8.24 8.23 1o62B1 VAL 66 HA 0.15 0.04 0.42 -0.75 4.13 3.98 1o62B1 VAL 66 HB -0.07 0.07 0.09 -0.04 2.12 2.17 1o62B1 VAL 66 HG13 0.21 -0.01 -0.03 -0.04 0.97 1.10 1o62B1 VAL 66 HG23 0.21 -0.00 -0.02 -0.04 0.95 1.10 1o62B1 ALA 67 H -0.12 0.37 -0.52 -0.55 8.40 7.59 1o62B1 ALA 67 HA 0.11 -0.02 0.42 -0.75 4.34 4.10 1o62B1 ALA 67 HB3 -0.06 0.00 0.05 -0.04 1.41 1.36 1o62B1 GLY 68 H 0.01 0.41 -0.54 -0.55 8.43 7.78 1o62B1 GLY 68 HA2 0.03 0.02 0.23 -0.51 4.01 3.78 1o62B1 GLY 68 HA3 0.03 0.11 0.70 -0.51 4.01 4.33 1o62B1 VAL 69 H -0.01 0.38 -0.03 -0.55 8.24 8.03 1o62B1 VAL 69 HA -0.00 -0.02 0.38 -0.75 4.13 3.73 1o62B1 VAL 69 HB -0.01 -0.02 -0.10 -0.04 2.12 1.95 1o62B1 VAL 69 HG13 -0.01 -0.02 -0.25 -0.04 0.97 0.65 1o62B1 VAL 69 HG23 -0.03 -0.01 -0.08 -0.04 0.95 0.78 1o62B1 LYS 70 H 0.01 0.09 0.20 -0.55 8.42 8.16 1o62B1 LYS 70 HA 0.03 0.18 0.84 -0.75 4.32 4.61 1o62B1 LYS 70 HB2 0.02 0.02 0.01 -0.04 1.87 1.88 1o62B1 LYS 70 HB3 0.03 -0.08 0.14 -0.04 1.79 1.83 1o62B1 LYS 70 HG2 0.02 0.28 -0.06 -0.04 1.46 1.66 1o62B1 LYS 70 HG3 0.02 -0.06 -0.00 -0.04 1.46 1.38 1o62B1 LYS 70 HD2 0.03 -0.08 -0.02 -0.04 1.69 1.58 1o62B1 LYS 70 HD3 0.03 0.14 -0.24 -0.04 1.68 1.57 1o62B1 LYS 70 HE2 0.03 0.16 -0.12 -0.04 2.99 3.01 1o62B1 LYS 70 HE3 0.03 -0.07 -0.03 -0.04 2.99 2.88 1o62B1 GLN 71 H 0.03 0.06 0.14 -0.55 8.47 8.16 1o62B1 GLN 71 HA 0.02 0.25 0.29 -0.75 4.36 4.17 1o62B1 GLN 71 HB2 0.03 0.05 0.16 -0.04 2.15 2.35 1o62B1 GLN 71 HB3 0.03 -0.10 0.16 -0.04 2.02 2.06 1o62B1 GLN 71 HG2 0.02 -0.06 -0.13 -0.04 2.40 2.19 1o62B1 GLN 71 HG3 0.02 0.19 0.15 -0.04 2.39 2.71 1o62B1 GLN 71 HE21 0.02 -0.06 0.01 -0.04 6.97 6.90 1o62B1 GLN 71 HE22 0.02 0.03 0.03 -0.04 7.69 7.72 1o62B1 ASP 72 H 0.01 0.74 0.38 -0.55 8.40 8.98 1o62B1 ASP 72 HA 0.00 0.01 0.40 -0.75 4.63 4.29 1o62B1 ASP 72 HB2 0.01 0.25 0.07 -0.04 2.71 2.99 1o62B1 ASP 72 HB3 0.01 -0.08 0.17 -0.04 2.70 2.76 1o62B1 ASP 73 H 0.00 0.49 -0.31 -0.55 8.40 8.04 1o62B1 ASP 73 HA -0.01 0.10 0.57 -0.75 4.63 4.53 1o62B1 ASP 73 HB2 -0.01 0.07 0.10 -0.04 2.71 2.82 1o62B1 ASP 73 HB3 -0.02 -0.03 0.08 -0.04 2.70 2.69 1o62B1 ILE 74 H -0.03 0.17 0.20 -0.55 8.25 8.05 1o62B1 ILE 74 HA -0.05 0.30 0.92 -0.75 4.18 4.59 1o62B1 ILE 74 HB -0.04 -0.02 0.08 -0.04 1.89 1.88 1o62B1 ILE 74 HG12 -0.03 0.05 -0.05 -0.04 1.49 1.42 1o62B1 ILE 74 HG13 -0.02 0.04 -0.09 -0.04 1.21 1.10 1o62B1 ILE 74 HG23 -0.06 -0.00 -0.19 -0.04 0.93 0.64 1o62B1 ILE 74 HD13 -0.02 0.01 -0.04 -0.04 0.88 0.80 1o62B1 VAL 75 H -0.11 0.70 0.21 -0.55 8.24 8.49 1o62B1 VAL 75 HA -0.09 0.14 1.00 -0.75 4.13 4.43 1o62B1 VAL 75 HB -0.14 -0.04 -0.06 -0.04 2.12 1.84 1o62B1 VAL 75 HG13 -0.12 0.00 -0.27 -0.04 0.97 0.54 1o62B1 VAL 75 HG23 -0.07 0.00 -0.28 -0.04 0.95 0.56 1o62B1 LEU 76 H -0.10 0.68 0.34 -0.55 8.37 8.74 1o62B1 LEU 76 HA -0.17 0.19 0.73 -0.75 4.35 4.34 1o62B1 LEU 76 HB2 -0.09 -0.05 0.17 -0.04 1.64 1.63 1o62B1 LEU 76 HB3 -0.10 -0.08 0.06 -0.04 1.64 1.49 1o62B1 LEU 76 HG -0.09 0.03 0.00 -0.04 1.64 1.55 1o62B1 LEU 76 HD13 -0.08 0.00 -0.09 -0.04 0.93 0.72 1o62B1 LEU 76 HD23 -0.10 0.01 -0.05 -0.04 0.89 0.70 1o62B1 ALA 77 H -0.18 0.59 0.37 -0.55 8.40 8.64 1o62B1 ALA 77 HA -0.10 0.18 0.72 -0.75 4.34 4.39 1o62B1 ALA 77 HB3 -0.22 0.02 -0.13 -0.04 1.41 1.04 1o62B1 SER 78 H -0.04 0.31 0.25 -0.55 8.46 8.43 1o62B1 SER 78 HA 0.05 0.09 0.60 -0.75 4.49 4.48 1o62B1 SER 78 HB2 -0.04 0.01 0.01 -0.04 3.95 3.89 1o62B1 SER 78 HB3 0.03 0.04 0.05 -0.04 3.93 4.01 1o62B1 SER 79 H 0.15 0.50 0.28 -0.55 8.46 8.84 1o62B1 SER 79 HA 0.08 0.19 0.60 -0.75 4.49 4.60 1o62B1 SER 79 HB2 0.20 0.06 -0.17 -0.04 3.95 4.01 1o62B1 SER 79 HB3 0.20 -0.05 -0.07 -0.04 3.93 3.98 1o62B1 PHE 80 H 0.27 0.11 0.02 -0.55 8.34 8.19 1o62B1 PHE 80 HA 0.08 0.09 0.47 -0.75 4.62 4.51 1o62B1 PHE 80 HB2 0.15 -0.18 0.12 -0.04 3.15 3.20 1o62B1 PHE 80 HB3 0.12 0.13 0.23 -0.04 3.06 3.49 1o62B1 PHE 80 HD2 0.20 0.09 0.02 -0.04 7.28 7.56 1o62B1 PHE 80 HE2 -0.00 0.26 -0.05 -0.04 7.38 7.55 1o62B1 PHE 80 HZ 0.11 0.05 -0.11 -0.04 7.32 7.33 1o62B1 THR 81 H -0.05 0.43 0.07 -0.55 8.28 8.18 1o62B1 THR 81 HA -0.64 0.06 0.36 -0.75 4.39 3.41 1o62B1 THR 81 HB -0.18 0.05 -0.39 -0.04 4.32 3.76 1o62B1 THR 81 HG23 -0.12 0.03 -0.45 -0.04 1.22 0.64 1o62B1 PHE 82 H -0.62 0.12 0.09 -0.55 8.34 7.39 1o62B1 PHE 82 HA -0.73 0.21 0.69 -0.75 4.62 4.04 1o62B1 PHE 82 HB2 -2.60 0.09 0.01 -0.04 3.15 0.61 1o62B1 PHE 82 HB3 -0.79 -0.06 0.10 -0.04 3.06 2.27 1o62B1 PHE 82 HD2 -0.10 0.01 0.03 -0.04 7.28 7.18 1o62B1 PHE 82 HE2 0.11 0.08 -0.01 -0.04 7.38 7.52 1o62B1 PHE 82 HZ 0.10 0.14 -0.01 -0.04 7.32 7.51 1o62B1 ILE 83 H -0.10 0.28 0.13 -0.55 8.25 8.00 1o62B1 ILE 83 HA -0.12 0.10 0.31 -0.75 4.18 3.71 1o62B1 ILE 83 HB -0.01 0.08 0.11 -0.04 1.89 2.03 1o62B1 ILE 83 HG12 -0.07 -0.03 -0.06 -0.04 1.49 1.28 1o62B1 ILE 83 HG13 0.16 -0.01 0.04 -0.04 1.21 1.37 1o62B1 ILE 83 HG23 -0.22 0.02 -0.06 -0.04 0.93 0.63 1o62B1 ILE 83 HD13 -0.09 0.03 -0.03 -0.04 0.88 0.76 1o62B1 ALA 84 H -1.71 0.08 -0.39 -0.55 8.40 5.83 1o62B1 ALA 84 HA -0.40 0.12 0.33 -0.75 4.34 3.64 1o62B1 ALA 84 HB3 -0.60 0.00 0.00 -0.04 1.41 0.77 1o62B1 SER 85 H -0.37 0.47 -0.43 -0.55 8.46 7.58 1o62B1 SER 85 HA -0.18 0.06 0.43 -0.75 4.49 4.05 1o62B1 SER 85 HB2 -0.20 0.16 0.03 -0.04 3.95 3.89 1o62B1 SER 85 HB3 -0.16 -0.01 -0.02 -0.04 3.93 3.70 1o62B1 VAL 86 H -0.17 0.29 -0.18 -0.55 8.24 7.63 1o62B1 VAL 86 HA -0.14 0.24 0.95 -0.75 4.13 4.43 1o62B1 VAL 86 HB -0.04 0.04 0.00 -0.04 2.12 2.08 1o62B1 VAL 86 HG13 -0.01 -0.00 -0.20 -0.04 0.97 0.71 1o62B1 VAL 86 HG23 0.07 -0.00 -0.08 -0.04 0.95 0.90 1o62B1 ALA 87 H -0.20 0.37 -0.02 -0.55 8.40 8.00 1o62B1 ALA 87 HA -0.12 0.05 0.34 -0.75 4.34 3.85 1o62B1 ALA 87 HB3 -0.24 0.02 0.01 -0.04 1.41 1.15 1o62B1 PRO 88 HA -1.20 0.04 0.31 -0.51 4.44 3.08 1o62B1 PRO 88 HB2 -0.22 0.08 -0.22 -0.04 2.28 1.87 1o62B1 PRO 88 HB3 -0.18 0.02 -0.13 -0.04 2.02 1.68 1o62B1 PRO 88 HG2 -0.21 0.02 -0.06 -0.04 2.03 1.74 1o62B1 PRO 88 HG3 -0.34 0.02 -0.04 -0.04 2.03 1.63 1o62B1 PRO 88 HD2 -0.28 0.11 -0.61 -0.04 3.68 2.86 1o62B1 PRO 88 HD3 -0.40 0.09 -0.09 -0.04 3.65 3.21 1o62B1 ILE 89 H -0.22 0.44 -0.45 -0.55 8.25 7.46 1o62B1 ILE 89 HA -0.09 0.05 0.27 -0.75 4.18 3.65 1o62B1 ILE 89 HB -0.07 0.10 0.00 -0.04 1.89 1.88 1o62B1 ILE 89 HG12 -0.13 -0.01 -0.13 -0.04 1.49 1.18 1o62B1 ILE 89 HG13 -0.15 -0.06 -0.03 -0.04 1.21 0.92 1o62B1 ILE 89 HG23 -0.08 0.04 -0.38 -0.04 0.93 0.47 1o62B1 ILE 89 HD13 -0.20 -0.00 -0.10 -0.04 0.88 0.53 1o62B1 CYS 90 H -0.11 0.27 -0.17 -0.55 8.50 7.94 1o62B1 CYS 90 HA 0.04 0.13 0.43 -0.75 4.58 4.43 1o62B1 CYS 90 HB2 0.01 0.10 0.12 -0.04 2.97 3.16 1o62B1 CYS 90 HB3 0.06 -0.01 0.02 -0.04 2.97 3.01 1o62B1 TYR 91 H -0.17 0.31 -0.22 -0.55 8.29 7.65 1o62B1 TYR 91 HA -0.06 0.01 0.31 -0.75 4.56 4.08 1o62B1 TYR 91 HB2 -0.33 0.18 0.06 -0.04 3.06 2.93 1o62B1 TYR 91 HB3 -0.26 -0.01 -0.04 -0.04 2.98 2.62 1o62B1 TYR 91 HD2 -0.68 0.00 -0.10 -0.04 7.15 6.33 1o62B1 TYR 91 HE2 -0.13 -0.05 -0.14 -0.04 6.85 6.49 1o62B1 LEU 92 H 0.05 0.33 -0.41 -0.55 8.37 7.80 1o62B1 LEU 92 HA 0.13 0.12 0.56 -0.75 4.35 4.41 1o62B1 LEU 92 HB2 0.03 0.02 -0.11 -0.04 1.64 1.54 1o62B1 LEU 92 HB3 0.06 0.01 -0.14 -0.04 1.64 1.54 1o62B1 LEU 92 HG 0.14 0.05 -0.08 -0.04 1.64 1.71 1o62B1 LEU 92 HD13 0.05 0.03 -0.21 -0.04 0.93 0.77 1o62B1 LEU 92 HD23 0.23 0.01 -0.15 -0.04 0.89 0.93 1o62B1 LYS 93 H 0.06 0.32 -0.56 -0.55 8.42 7.68 1o62B1 LYS 93 HA 0.04 0.07 0.34 -0.75 4.32 4.01 1o62B1 LYS 93 HB2 0.04 0.14 0.02 -0.04 1.87 2.03 1o62B1 LYS 93 HB3 0.03 -0.08 0.23 -0.04 1.79 1.93 1o62B1 LYS 93 HG2 0.04 0.02 0.02 -0.04 1.46 1.50 1o62B1 LYS 93 HG3 0.05 0.09 -0.26 -0.04 1.46 1.30 1o62B1 LYS 93 HD2 0.03 -0.02 -0.04 -0.04 1.69 1.63 1o62B1 LYS 93 HD3 0.02 -0.04 0.01 -0.04 1.68 1.63 1o62B1 LYS 93 HE2 0.03 0.04 -0.03 -0.04 2.99 2.99 1o62B1 LYS 93 HE3 0.01 -0.05 -0.01 -0.04 2.99 2.90 1o62B1 ALA 94 H 0.01 0.48 -0.09 -0.55 8.40 8.24 1o62B1 ALA 94 HA -0.00 -0.00 0.70 -0.75 4.34 4.28 1o62B1 ALA 94 HB3 -0.03 0.01 -0.11 -0.04 1.41 1.25 1o62B1 LYS 95 H -0.03 0.82 0.21 -0.55 8.42 8.87 1o62B1 LYS 95 HA -0.01 0.21 0.87 -0.75 4.32 4.64 1o62B1 LYS 95 HB2 -0.03 -0.06 0.05 -0.04 1.87 1.79 1o62B1 LYS 95 HB3 -0.01 0.01 0.01 -0.04 1.79 1.75 1o62B1 LYS 95 HG2 -0.00 0.03 -0.11 -0.04 1.46 1.33 1o62B1 LYS 95 HG3 0.00 -0.01 -0.04 -0.04 1.46 1.37 1o62B1 LYS 95 HD2 0.02 -0.03 -0.08 -0.04 1.69 1.56 1o62B1 LYS 95 HD3 0.02 0.11 -0.30 -0.04 1.68 1.47 1o62B1 LYS 95 HE2 0.01 -0.01 -0.14 -0.04 2.99 2.81 1o62B1 LYS 95 HE3 0.01 -0.04 -0.00 -0.04 2.99 2.92 1o62B1 PRO 96 HA -0.34 0.32 0.71 -0.51 4.44 4.63 1o62B1 PRO 96 HB2 -1.34 -0.06 -0.10 -0.04 2.28 0.74 1o62B1 PRO 96 HB3 -0.38 -0.01 -0.02 -0.04 2.02 1.56 1o62B1 PRO 96 HG2 -0.07 0.00 0.09 -0.04 2.03 2.02 1o62B1 PRO 96 HG3 0.10 0.01 0.00 -0.04 2.03 2.10 1o62B1 PRO 96 HD2 0.03 0.12 0.24 -0.04 3.68 4.02 1o62B1 PRO 96 HD3 -0.00 0.24 0.06 -0.04 3.65 3.91 1o62B1 VAL 97 H -0.44 0.43 0.23 -0.55 8.24 7.91 1o62B1 VAL 97 HA -0.15 0.28 0.86 -0.75 4.13 4.37 1o62B1 VAL 97 HB -0.13 -0.08 0.10 -0.04 2.12 1.97 1o62B1 VAL 97 HG13 0.07 -0.01 -0.16 -0.04 0.97 0.82 1o62B1 VAL 97 HG23 -0.05 0.03 -0.19 -0.04 0.95 0.70 1o62B1 PHE 98 H 0.02 0.59 0.24 -0.55 8.34 8.64 1o62B1 PHE 98 HA -0.06 0.35 0.79 -0.75 4.62 4.95 1o62B1 PHE 98 HB2 -0.01 0.01 0.04 -0.04 3.15 3.15 1o62B1 PHE 98 HB3 -0.02 -0.19 -0.08 -0.04 3.06 2.74 1o62B1 PHE 98 HD2 -0.14 0.13 -0.28 -0.04 7.28 6.96 1o62B1 PHE 98 HE2 -0.47 0.05 -0.14 -0.04 7.38 6.77 1o62B1 PHE 98 HZ -2.05 0.02 -0.12 -0.04 7.32 5.13 1o62B1 ILE 99 H 0.13 0.43 0.38 -0.55 8.25 8.64 1o62B1 ILE 99 HA 0.10 0.23 1.13 -0.75 4.18 4.89 1o62B1 ILE 99 HB 0.03 -0.10 0.11 -0.04 1.89 1.89 1o62B1 ILE 99 HG12 0.00 0.09 -0.21 -0.04 1.49 1.34 1o62B1 ILE 99 HG13 -0.00 0.07 -0.27 -0.04 1.21 0.97 1o62B1 ILE 99 HG23 0.02 0.04 -0.08 -0.04 0.93 0.87 1o62B1 ILE 99 HD13 -0.07 -0.01 -0.09 -0.04 0.88 0.67 1o62B1 ASP 100 H 0.04 0.69 0.37 -0.55 8.40 8.95 1o62B1 ASP 100 HA 0.07 -0.04 0.49 -0.75 4.63 4.39 1o62B1 ASP 100 HB2 -0.04 0.32 0.48 -0.04 2.71 3.42 1o62B1 ASP 100 HB3 -0.00 0.07 0.13 -0.04 2.70 2.87 1o62B1 CYS 101 H 0.04 -0.06 0.20 -0.55 8.50 8.13 1o62B1 CYS 101 HA 0.12 0.22 0.72 -0.75 4.58 4.89 1o62B1 CYS 101 HB2 0.31 -0.05 -0.42 -0.04 2.97 2.76 1o62B1 CYS 101 HB3 0.28 0.03 -0.23 -0.04 2.97 3.01 1o62B1 ASP 102 H 0.17 0.55 0.13 -0.55 8.40 8.71 1o62B1 ASP 102 HA 0.11 0.22 0.85 -0.75 4.63 5.06 1o62B1 ASP 102 HB2 0.10 -0.04 0.24 -0.04 2.71 2.97 1o62B1 ASP 102 HB3 0.08 -0.04 0.10 -0.04 2.70 2.79 1o62B1 GLU 103 H 0.14 0.20 0.14 -0.55 8.60 8.53 1o62B1 GLU 103 HA 0.32 0.15 0.38 -0.75 4.29 4.39 1o62B1 GLU 103 HB2 0.13 0.08 0.13 -0.04 2.09 2.40 1o62B1 GLU 103 HB3 0.18 0.02 0.11 -0.04 1.99 2.25 1o62B1 GLU 103 HG2 0.07 0.06 -0.18 -0.04 2.34 2.25 1o62B1 GLU 103 HG3 0.08 0.08 -0.00 -0.04 2.34 2.46 1o62B1 THR 104 H 0.13 -0.09 -0.47 -0.55 8.28 7.30 1o62B1 THR 104 HA -0.09 0.36 0.71 -0.75 4.39 4.61 1o62B1 THR 104 HB 0.06 0.18 0.08 -0.04 4.32 4.59 1o62B1 THR 104 HG23 0.06 -0.00 -0.04 -0.04 1.22 1.20 1o62B1 TYR 105 H 0.30 0.34 -0.22 -0.55 8.29 8.17 1o62B1 TYR 105 HA 0.41 0.03 0.23 -0.75 4.56 4.47 1o62B1 TYR 105 HB2 0.23 0.44 0.55 -0.04 3.06 4.24 1o62B1 TYR 105 HB3 0.43 -0.13 0.11 -0.04 2.98 3.34 1o62B1 TYR 105 HD2 0.07 0.00 -0.12 -0.04 7.15 7.06 1o62B1 TYR 105 HE2 -0.54 0.02 -0.11 -0.04 6.85 6.17 1o62B1 ASN 106 H 0.24 -0.05 -0.35 -0.55 8.53 7.82 1o62B1 ASN 106 HA 0.19 0.27 0.93 -0.75 4.76 5.39 1o62B1 ASN 106 HB2 0.11 -0.08 -0.05 -0.04 2.88 2.82 1o62B1 ASN 106 HB3 0.05 0.00 0.12 -0.04 2.79 2.92 1o62B1 ASN 106 HD21 0.19 0.34 -0.48 -0.04 7.03 7.04 1o62B1 ASN 106 HD22 0.14 -0.02 -0.62 -0.04 7.74 7.20 1o62B1 ILE 107 H 0.05 0.15 0.15 -0.55 8.25 8.05 1o62B1 ILE 107 HA 0.07 0.26 0.35 -0.75 4.18 4.11 1o62B1 ILE 107 HB -0.01 -0.06 0.08 -0.04 1.89 1.85 1o62B1 ILE 107 HG12 0.03 0.15 0.08 -0.04 1.49 1.71 1o62B1 ILE 107 HG13 0.01 -0.12 0.16 -0.04 1.21 1.23 1o62B1 ILE 107 HG23 -0.01 0.01 -0.28 -0.04 0.93 0.60 1o62B1 ILE 107 HD13 -0.04 0.01 -0.15 -0.04 0.88 0.66 1o62B1 ASP 108 H 0.05 0.55 0.25 -0.55 8.40 8.71 1o62B1 ASP 108 HA 0.05 0.03 0.57 -0.75 4.63 4.52 1o62B1 ASP 108 HB2 0.05 0.09 -0.28 -0.04 2.71 2.53 1o62B1 ASP 108 HB3 0.03 0.02 0.01 -0.04 2.70 2.72 1o62B1 VAL 109 H 0.02 0.15 0.19 -0.55 8.24 8.05 1o62B1 VAL 109 HA -0.01 0.12 0.31 -0.75 4.13 3.80 1o62B1 VAL 109 HB 0.01 -0.02 0.13 -0.04 2.12 2.20 1o62B1 VAL 109 HG13 -0.00 0.04 -0.14 -0.04 0.97 0.82 1o62B1 VAL 109 HG23 0.01 0.01 0.08 -0.04 0.95 1.00 1o62B1 ASP 110 H 0.01 0.07 -0.11 -0.55 8.40 7.82 1o62B1 ASP 110 HA -0.01 0.17 0.48 -0.75 4.63 4.50 1o62B1 ASP 110 HB2 0.01 -0.05 0.04 -0.04 2.71 2.66 1o62B1 ASP 110 HB3 0.00 0.11 -0.01 -0.04 2.70 2.75 1o62B1 LEU 111 H 0.00 0.03 -0.28 -0.55 8.37 7.57 1o62B1 LEU 111 HA -0.01 0.12 0.36 -0.75 4.35 4.07 1o62B1 LEU 111 HB2 0.01 0.06 0.04 -0.04 1.64 1.71 1o62B1 LEU 111 HB3 0.05 0.04 0.00 -0.04 1.64 1.69 1o62B1 LEU 111 HG 0.02 -0.09 -0.07 -0.04 1.64 1.46 1o62B1 LEU 111 HD13 0.03 0.03 -0.17 -0.04 0.93 0.78 1o62B1 LEU 111 HD23 0.06 0.03 -0.17 -0.04 0.89 0.78 1o62B1 LEU 112 H -0.04 0.34 -0.34 -0.55 8.37 7.78 1o62B1 LEU 112 HA -0.11 0.04 0.33 -0.75 4.35 3.86 1o62B1 LEU 112 HB2 -0.04 -0.06 -0.04 -0.04 1.64 1.45 1o62B1 LEU 112 HB3 -0.04 0.12 0.08 -0.04 1.64 1.75 1o62B1 LEU 112 HG -0.06 0.08 -0.35 -0.04 1.64 1.27 1o62B1 LEU 112 HD13 -0.07 -0.00 -0.08 -0.04 0.93 0.73 1o62B1 LEU 112 HD23 -0.04 -0.02 -0.12 -0.04 0.89 0.67 1o62B1 LYS 113 H -0.06 0.39 -0.12 -0.55 8.42 8.08 1o62B1 LYS 113 HA -0.07 0.09 0.39 -0.75 4.32 3.98 1o62B1 LYS 113 HB2 -0.04 0.03 0.15 -0.04 1.87 1.96 1o62B1 LYS 113 HB3 -0.04 0.03 -0.01 -0.04 1.79 1.73 1o62B1 LYS 113 HG2 -0.03 0.03 0.01 -0.04 1.46 1.43 1o62B1 LYS 113 HG3 -0.03 0.04 0.07 -0.04 1.46 1.50 1o62B1 LYS 113 HD2 -0.02 -0.08 -0.06 -0.04 1.69 1.49 1o62B1 LYS 113 HD3 -0.02 0.04 -0.02 -0.04 1.68 1.64 1o62B1 LYS 113 HE2 -0.01 0.06 -0.03 -0.04 2.99 2.96 1o62B1 LYS 113 HE3 -0.01 -0.06 -0.05 -0.04 2.99 2.83 1o62B1 LEU 114 H -0.10 0.52 -0.17 -0.55 8.37 8.07 1o62B1 LEU 114 HA -0.08 0.04 0.36 -0.75 4.35 3.92 1o62B1 LEU 114 HB2 -0.04 0.00 0.08 -0.04 1.64 1.64 1o62B1 LEU 114 HB3 -0.13 0.03 0.13 -0.04 1.64 1.62 1o62B1 LEU 114 HG 0.02 0.02 -0.24 -0.04 1.64 1.40 1o62B1 LEU 114 HD13 0.03 0.00 -0.01 -0.04 0.93 0.91 1o62B1 LEU 114 HD23 0.14 -0.02 -0.07 -0.04 0.89 0.90 1o62B1 ALA 115 H -0.43 0.53 -0.21 -0.55 8.40 7.75 1o62B1 ALA 115 HA -1.13 0.00 0.32 -0.75 4.34 2.78 1o62B1 ALA 115 HB3 -0.54 -0.00 0.04 -0.04 1.41 0.88 1o62B1 ILE 116 H -0.18 0.40 -0.26 -0.55 8.25 7.66 1o62B1 ILE 116 HA -0.09 0.04 0.44 -0.75 4.18 3.82 1o62B1 ILE 116 HB -0.08 0.05 0.16 -0.04 1.89 1.98 1o62B1 ILE 116 HG12 -0.07 -0.00 -0.02 -0.04 1.49 1.36 1o62B1 ILE 116 HG13 -0.11 0.11 0.04 -0.04 1.21 1.21 1o62B1 ILE 116 HG23 -0.05 0.01 -0.11 -0.04 0.93 0.74 1o62B1 ILE 116 HD13 -0.06 -0.04 -0.14 -0.04 0.88 0.60 1o62B1 LYS 117 H -0.10 0.58 -0.07 -0.55 8.42 8.28 1o62B1 LYS 117 HA -0.03 0.03 0.37 -0.75 4.32 3.93 1o62B1 LYS 117 HB2 -0.04 -0.06 0.07 -0.04 1.87 1.80 1o62B1 LYS 117 HB3 -0.05 0.07 0.15 -0.04 1.79 1.91 1o62B1 LYS 117 HG2 -0.01 0.04 -0.24 -0.04 1.46 1.21 1o62B1 LYS 117 HG3 -0.01 -0.02 0.02 -0.04 1.46 1.41 1o62B1 LYS 117 HD2 -0.01 -0.05 -0.04 -0.04 1.69 1.54 1o62B1 LYS 117 HD3 -0.01 -0.03 -0.04 -0.04 1.68 1.56 1o62B1 LYS 117 HE2 0.00 0.02 -0.05 -0.04 2.99 2.92 1o62B1 LYS 117 HE3 -0.00 0.00 -0.03 -0.04 2.99 2.92 1o62B1 GLU 118 H -0.07 0.35 -0.35 -0.55 8.60 7.98 1o62B1 GLU 118 HA 0.01 0.15 0.70 -0.75 4.29 4.40 1o62B1 GLU 118 HB2 0.07 0.06 0.04 -0.04 2.09 2.22 1o62B1 GLU 118 HB3 0.12 -0.08 0.06 -0.04 1.99 2.05 1o62B1 GLU 118 HG2 0.05 0.00 -0.02 -0.04 2.34 2.33 1o62B1 GLU 118 HG3 0.04 -0.01 -0.09 -0.04 2.34 2.25 1o62B1 CYS 119 H -0.03 0.35 -0.32 -0.55 8.50 7.95 1o62B1 CYS 119 HA 0.02 -0.09 0.52 -0.75 4.58 4.28 1o62B1 CYS 119 HB2 -0.04 0.12 0.19 -0.04 2.97 3.20 1o62B1 CYS 119 HB3 -0.02 0.35 0.01 -0.04 2.97 3.27 1o62B1 GLU 120 H 0.01 0.05 0.20 -0.55 8.60 8.31 1o62B1 GLU 120 HA 0.01 0.04 0.38 -0.75 4.29 3.97 1o62B1 LYS 121 H -0.00 0.05 -0.09 -0.55 8.42 7.82 1o62B1 LYS 121 HA -0.01 0.22 0.83 -0.75 4.32 4.61 1o62B1 LYS 121 HB2 -0.01 -0.01 0.10 -0.04 1.87 1.91 1o62B1 LYS 121 HB3 -0.00 0.00 -0.07 -0.04 1.79 1.68 1o62B1 LYS 121 HG2 -0.01 -0.10 -0.02 -0.04 1.46 1.29 1o62B1 LYS 121 HG3 -0.01 0.03 -0.25 -0.04 1.46 1.19 1o62B1 LYS 121 HD2 -0.00 0.03 -0.01 -0.04 1.69 1.66 1o62B1 LYS 121 HD3 -0.00 -0.02 -0.02 -0.04 1.68 1.59 1o62B1 LYS 121 HE2 -0.00 -0.04 0.01 -0.04 2.99 2.92 1o62B1 LYS 121 HE3 -0.01 -0.12 0.04 -0.04 2.99 2.86 1o62B1 LYS 122 H -0.01 0.09 0.10 -0.55 8.42 8.04 1o62B1 LYS 122 HA -0.02 0.17 0.50 -0.75 4.32 4.21 1o62B1 LYS 122 HB2 -0.01 -0.02 0.10 -0.04 1.87 1.90 1o62B1 LYS 122 HB3 -0.01 -0.09 0.16 -0.04 1.79 1.81 1o62B1 LYS 122 HG2 -0.02 0.23 -0.33 -0.04 1.46 1.31 1o62B1 LYS 122 HG3 -0.02 0.03 0.03 -0.04 1.46 1.46 1o62B1 LYS 122 HD2 -0.01 -0.04 0.02 -0.04 1.69 1.62 1o62B1 LYS 122 HD3 -0.01 -0.15 0.01 -0.04 1.68 1.50 1o62B1 LYS 122 HE2 -0.01 0.04 -0.01 -0.04 2.99 2.97 1o62B1 LYS 122 HE3 -0.01 0.27 0.09 -0.04 2.99 3.30 1o62B1 PRO 123 HA -0.04 -0.01 0.55 -0.51 4.44 4.43 1o62B1 PRO 123 HB2 -0.05 -0.03 -0.03 -0.04 2.28 2.13 1o62B1 PRO 123 HB3 -0.06 -0.04 0.02 -0.04 2.02 1.91 1o62B1 PRO 123 HG2 -0.04 0.04 0.04 -0.04 2.03 2.03 1o62B1 PRO 123 HG3 -0.06 -0.04 0.03 -0.04 2.03 1.92 1o62B1 PRO 123 HD2 -0.03 0.11 0.25 -0.04 3.68 3.96 1o62B1 PRO 123 HD3 -0.04 0.21 0.24 -0.04 3.65 4.02 1o62B1 LYS 124 H -0.03 0.40 0.39 -0.55 8.42 8.62 1o62B1 LYS 124 HA -0.01 0.20 0.62 -0.75 4.32 4.37 1o62B1 LYS 124 HB2 -0.02 -0.03 0.13 -0.04 1.87 1.91 1o62B1 LYS 124 HB3 -0.01 -0.00 -0.01 -0.04 1.79 1.73 1o62B1 LYS 124 HG2 -0.01 -0.01 0.14 -0.04 1.46 1.53 1o62B1 LYS 124 HG3 -0.01 -0.06 0.04 -0.04 1.46 1.38 1o62B1 LYS 124 HD2 0.00 0.02 0.05 -0.04 1.69 1.72 1o62B1 LYS 124 HD3 -0.00 0.08 0.02 -0.04 1.68 1.73 1o62B1 LYS 124 HE2 0.00 -0.01 0.03 -0.04 2.99 2.97 1o62B1 LYS 124 HE3 0.00 -0.03 0.03 -0.04 2.99 2.95 1o62B1 ALA 125 H -0.04 0.22 0.19 -0.55 8.40 8.21 1o62B1 ALA 125 HA -0.02 0.17 0.68 -0.75 4.34 4.42 1o62B1 ALA 125 HB3 -0.03 0.01 -0.09 -0.04 1.41 1.25 1o62B1 LEU 126 H -0.03 0.63 0.26 -0.55 8.37 8.68 1o62B1 LEU 126 HA -0.08 0.26 0.85 -0.75 4.35 4.62 1o62B1 LEU 126 HB2 -0.06 0.07 -0.15 -0.04 1.64 1.46 1o62B1 LEU 126 HB3 -0.05 0.02 -0.02 -0.04 1.64 1.56 1o62B1 LEU 126 HG -0.07 -0.12 -0.52 -0.04 1.64 0.88 1o62B1 LEU 126 HD13 -0.08 0.02 -0.32 -0.04 0.93 0.51 1o62B1 LEU 126 HD23 -0.06 -0.01 -0.17 -0.04 0.89 0.61 1o62B1 ILE 127 H -0.10 0.74 0.22 -0.55 8.25 8.56 1o62B1 ILE 127 HA -0.09 0.26 0.91 -0.75 4.18 4.51 1o62B1 ILE 127 HB -0.12 -0.04 0.22 -0.04 1.89 1.91 1o62B1 ILE 127 HG12 -0.10 0.01 -0.09 -0.04 1.49 1.27 1o62B1 ILE 127 HG13 -0.11 0.04 -0.16 -0.04 1.21 0.94 1o62B1 ILE 127 HG23 -0.12 0.01 -0.13 -0.04 0.93 0.65 1o62B1 ILE 127 HD13 -0.13 0.03 -0.05 -0.04 0.88 0.69 1o62B1 LEU 128 H -0.11 0.70 0.24 -0.55 8.37 8.66 1o62B1 LEU 128 HA -0.13 0.06 0.89 -0.75 4.35 4.42 1o62B1 LEU 128 HB2 -0.12 0.06 -0.10 -0.04 1.64 1.44 1o62B1 LEU 128 HB3 -0.16 0.03 0.07 -0.04 1.64 1.54 1o62B1 LEU 128 HG -0.49 -0.01 -0.41 -0.04 1.64 0.70 1o62B1 LEU 128 HD13 -0.12 -0.02 -0.01 -0.04 0.93 0.74 1o62B1 LEU 128 HD23 -0.15 -0.01 -0.15 -0.04 0.89 0.54 1o62B1 THR 129 H -0.14 0.12 0.20 -0.55 8.28 7.91 1o62B1 THR 129 HA -0.19 0.25 0.84 -0.75 4.39 4.53 1o62B1 THR 129 HB -0.12 0.01 0.13 -0.04 4.32 4.29 1o62B1 THR 129 HG23 -0.19 -0.02 -0.17 -0.04 1.22 0.80 1o62B1 HIS 130 H -0.06 0.47 0.17 -0.55 8.41 8.44 1o62B1 HIS 130 HA 0.01 0.16 0.71 -0.75 4.63 4.75 1o62B1 HIS 130 HB2 -0.01 -0.11 0.18 -0.04 3.26 3.28 1o62B1 HIS 130 HB3 0.02 0.22 -0.10 -0.04 3.20 3.29 1o62B1 HIS 130 HD2 -0.02 -0.02 -0.19 -0.04 6.97 6.69 1o62B1 HIS 130 HE1 -0.19 -0.05 -0.05 -0.04 7.75 7.43 1o62B1 LEU 131 H 0.07 0.24 -0.22 -0.55 8.37 7.91 1o62B1 LEU 131 HA -0.14 -0.08 0.35 -0.75 4.35 3.72 1o62B1 LEU 131 HB2 -0.02 0.07 0.00 -0.04 1.64 1.66 1o62B1 LEU 131 HB3 0.20 0.07 -0.03 -0.04 1.64 1.84 1o62B1 LEU 131 HG -0.89 0.01 -0.12 -0.04 1.64 0.59 1o62B1 LEU 131 HD13 -0.59 0.01 -0.04 -0.04 0.93 0.27 1o62B1 LEU 131 HD23 -0.71 0.04 -0.08 -0.04 0.89 0.09 1o62B1 TYR 132 H -0.19 0.08 0.14 -0.55 8.29 7.77 1o62B1 TYR 132 HA 0.19 0.02 0.31 -0.75 4.56 4.33 1o62B1 TYR 132 HB2 0.28 0.18 -0.06 -0.04 3.06 3.41 1o62B1 TYR 132 HB3 0.18 0.17 0.21 -0.04 2.98 3.49 1o62B1 TYR 132 HD2 0.02 0.04 -0.11 -0.04 7.15 7.06 1o62B1 TYR 132 HE2 -0.22 0.02 -0.09 -0.04 6.85 6.53 1o62B1 GLY 133 H 0.14 0.23 -0.57 -0.55 8.43 7.69 1o62B1 GLY 133 HA2 0.10 0.01 0.15 -0.51 4.01 3.75 1o62B1 GLY 133 HA3 0.16 0.01 0.60 -0.51 4.01 4.26 1o62B1 ASN 134 H 0.20 0.45 -0.49 -0.55 8.53 8.15 1o62B1 ASN 134 HA 0.06 -0.06 0.43 -0.75 4.76 4.44 1o62B1 ASN 134 HB2 0.19 0.08 0.05 -0.04 2.88 3.16 1o62B1 ASN 134 HB3 0.07 -0.01 0.02 -0.04 2.79 2.83 1o62B1 ASN 134 HD21 -0.18 0.00 -0.04 -0.04 7.03 6.78 1o62B1 ASN 134 HD22 -0.17 0.29 0.02 -0.04 7.74 7.84 1o62B1 ALA 135 H 0.06 0.07 0.17 -0.55 8.40 8.15 1o62B1 ALA 135 HA -0.07 0.04 0.53 -0.75 4.34 4.09 1o62B1 ALA 135 HB3 0.07 0.02 0.07 -0.04 1.41 1.52 1o62B1 ALA 136 H 0.21 0.08 0.11 -0.55 8.40 8.26 1o62B1 ALA 136 HA 0.08 0.09 0.55 -0.75 4.34 4.31 1o62B1 ALA 136 HB3 0.02 0.02 -0.01 -0.04 1.41 1.39 1o62B1 LYS 137 H 0.00 0.17 0.05 -0.55 8.42 8.09 1o62B1 LYS 137 HA 0.05 0.14 0.53 -0.75 4.32 4.29 1o62B1 LYS 137 HB2 0.00 -0.01 0.23 -0.04 1.87 2.05 1o62B1 LYS 137 HB3 0.03 0.00 0.12 -0.04 1.79 1.90 1o62B1 LYS 137 HG2 0.08 0.09 0.02 -0.04 1.46 1.60 1o62B1 LYS 137 HG3 0.05 -0.04 0.07 -0.04 1.46 1.50 1o62B1 LYS 137 HD2 0.04 -0.08 0.09 -0.04 1.69 1.70 1o62B1 LYS 137 HD3 0.05 0.06 0.05 -0.04 1.68 1.80 1o62B1 LYS 137 HE2 0.06 0.09 0.02 -0.04 2.99 3.12 1o62B1 LYS 137 HE3 0.06 -0.07 0.03 -0.04 2.99 2.97 1o62B1 MET 138 H -0.79 0.43 0.16 -0.55 8.47 7.73 1o62B1 MET 138 HA -0.37 0.01 0.25 -0.75 4.52 3.66 1o62B1 MET 138 HB2 -2.18 0.06 0.06 -0.04 2.15 0.04 1o62B1 MET 138 HB3 -1.11 0.07 -0.04 -0.04 2.03 0.91 1o62B1 MET 138 HG2 -1.00 0.23 0.05 -0.04 2.63 1.87 1o62B1 MET 138 HG3 -1.51 0.05 -0.02 -0.04 2.56 1.04 1o62B1 MET 138 HE3 -0.30 0.01 -0.08 -0.04 2.10 1.69 1o62B1 ASP 139 H -0.09 0.12 -0.07 -0.55 8.40 7.81 1o62B1 ASP 139 HA 0.05 0.15 0.39 -0.75 4.63 4.47 1o62B1 ASP 139 HB2 0.13 -0.09 0.07 -0.04 2.71 2.79 1o62B1 ASP 139 HB3 0.09 0.09 -0.02 -0.04 2.70 2.81 1o62B1 GLU 140 H -0.00 0.04 -0.25 -0.55 8.60 7.84 1o62B1 GLU 140 HA 0.00 0.14 0.42 -0.75 4.29 4.10 1o62B1 GLU 140 HB2 -0.01 0.02 0.10 -0.04 2.09 2.16 1o62B1 GLU 140 HB3 -0.00 0.02 -0.01 -0.04 1.99 1.96 1o62B1 GLU 140 HG2 0.02 0.01 0.01 -0.04 2.34 2.34 1o62B1 GLU 140 HG3 0.02 0.07 -0.01 -0.04 2.34 2.38 1o62B1 ILE 141 H -0.07 0.44 -0.05 -0.55 8.25 8.02 1o62B1 ILE 141 HA -0.04 0.07 0.40 -0.75 4.18 3.85 1o62B1 ILE 141 HB -0.10 -0.00 -0.04 -0.04 1.89 1.71 1o62B1 ILE 141 HG12 -0.04 0.00 -0.07 -0.04 1.49 1.34 1o62B1 ILE 141 HG13 -0.05 0.09 0.04 -0.04 1.21 1.25 1o62B1 ILE 141 HG23 -0.06 0.00 -0.20 -0.04 0.93 0.63 1o62B1 ILE 141 HD13 -0.06 -0.02 -0.15 -0.04 0.88 0.61 1o62B1 VAL 142 H -0.06 0.63 -0.13 -0.55 8.24 8.13 1o62B1 VAL 142 HA 0.00 0.02 0.38 -0.75 4.13 3.77 1o62B1 VAL 142 HB 0.03 0.11 0.13 -0.04 2.12 2.34 1o62B1 VAL 142 HG13 0.06 0.01 -0.12 -0.04 0.97 0.88 1o62B1 VAL 142 HG23 0.08 -0.02 -0.02 -0.04 0.95 0.95 1o62B1 GLU 143 H -0.00 0.38 -0.26 -0.55 8.60 8.18 1o62B1 GLU 143 HA 0.01 0.05 0.43 -0.75 4.29 4.02 1o62B1 GLU 143 HB2 0.02 0.04 0.13 -0.04 2.09 2.24 1o62B1 GLU 143 HB3 0.00 0.08 0.19 -0.04 1.99 2.22 1o62B1 GLU 143 HG2 0.01 -0.03 -0.03 -0.04 2.34 2.24 1o62B1 GLU 143 HG3 0.00 0.00 -0.28 -0.04 2.34 2.02 1o62B1 ILE 144 H -0.01 0.55 -0.08 -0.55 8.25 8.15 1o62B1 ILE 144 HA -0.02 0.03 0.36 -0.75 4.18 3.80 1o62B1 ILE 144 HB -0.03 0.01 0.11 -0.04 1.89 1.94 1o62B1 ILE 144 HG12 -0.02 -0.01 0.01 -0.04 1.49 1.43 1o62B1 ILE 144 HG13 -0.01 0.23 0.12 -0.04 1.21 1.50 1o62B1 ILE 144 HG23 -0.04 -0.01 -0.19 -0.04 0.93 0.66 1o62B1 ILE 144 HD13 -0.02 -0.07 -0.10 -0.04 0.88 0.65 1o62B1 CYS 145 H -0.02 0.48 -0.28 -0.55 8.50 8.13 1o62B1 CYS 145 HA -0.02 0.05 0.40 -0.75 4.58 4.25 1o62B1 CYS 145 HB2 -0.01 0.04 0.12 -0.04 2.97 3.08 1o62B1 CYS 145 HB3 -0.01 0.32 0.02 -0.04 2.97 3.26 1o62B1 LYS 146 H -0.00 0.45 -0.15 -0.55 8.42 8.17 1o62B1 LYS 146 HA -0.00 0.03 0.46 -0.75 4.32 4.05 1o62B1 LYS 146 HB2 0.00 0.02 0.15 -0.04 1.87 2.00 1o62B1 LYS 146 HB3 0.00 0.05 0.24 -0.04 1.79 2.04 1o62B1 LYS 146 HG2 -0.00 0.03 -0.22 -0.04 1.46 1.22 1o62B1 LYS 146 HG3 -0.00 -0.03 0.03 -0.04 1.46 1.42 1o62B1 LYS 146 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 1o62B1 LYS 146 HD3 0.01 -0.01 -0.01 -0.04 1.68 1.62 1o62B1 LYS 146 HE2 0.00 0.01 -0.04 -0.04 2.99 2.92 1o62B1 LYS 146 HE3 -0.00 -0.01 -0.01 -0.04 2.99 2.93 1o62B1 GLU 147 H -0.01 0.65 0.01 -0.55 8.60 8.71 1o62B1 GLU 147 HA -0.00 0.01 0.37 -0.75 4.29 3.91 1o62B1 GLU 147 HB2 -0.00 -0.05 0.10 -0.04 2.09 2.09 1o62B1 GLU 147 HB3 -0.01 0.07 0.08 -0.04 1.99 2.09 1o62B1 GLU 147 HG2 -0.01 -0.07 -0.03 -0.04 2.34 2.19 1o62B1 GLU 147 HG3 -0.01 0.05 -0.15 -0.04 2.34 2.19 1o62B1 ASN 148 H -0.01 0.25 -0.54 -0.55 8.53 7.68 1o62B1 ASN 148 HA -0.01 0.16 0.79 -0.75 4.76 4.94 1o62B1 ASN 148 HB2 -0.02 0.05 0.04 -0.04 2.88 2.91 1o62B1 ASN 148 HB3 -0.02 0.00 0.08 -0.04 2.79 2.81 1o62B1 ASN 148 HD21 -0.03 -0.14 -0.04 -0.04 7.03 6.78 1o62B1 ASN 148 HD22 -0.03 0.51 0.08 -0.04 7.74 8.27 1o62B1 ASP 149 H -0.01 0.38 -0.29 -0.55 8.40 7.93 1o62B1 ASP 149 HA -0.00 -0.03 0.33 -0.75 4.63 4.17 1o62B1 ASP 149 HB2 -0.00 -0.04 -0.12 -0.04 2.71 2.51 1o62B1 ASP 149 HB3 -0.01 0.18 0.08 -0.04 2.70 2.91 1o62B1 ILE 150 H -0.01 0.65 -0.00 -0.55 8.25 8.33 1o62B1 ILE 150 HA -0.01 0.35 0.79 -0.75 4.18 4.56 1o62B1 ILE 150 HB -0.02 -0.16 0.01 -0.04 1.89 1.68 1o62B1 ILE 150 HG12 -0.03 0.31 -0.18 -0.04 1.49 1.54 1o62B1 ILE 150 HG13 -0.02 0.12 -0.43 -0.04 1.21 0.83 1o62B1 ILE 150 HG23 -0.03 -0.03 -0.47 -0.04 0.93 0.36 1o62B1 ILE 150 HD13 -0.04 -0.05 -0.12 -0.04 0.88 0.63 1o62B1 VAL 151 H 0.01 0.65 0.24 -0.55 8.24 8.59 1o62B1 VAL 151 HA 0.04 -0.01 0.47 -0.75 4.13 3.87 1o62B1 VAL 151 HB 0.04 -0.00 0.21 -0.04 2.12 2.33 1o62B1 VAL 151 HG13 0.19 -0.04 -0.15 -0.04 0.97 0.93 1o62B1 VAL 151 HG23 0.06 0.07 0.11 -0.04 0.95 1.15 1o62B1 LEU 152 H 0.04 0.12 0.27 -0.55 8.37 8.25 1o62B1 LEU 152 HA 0.00 0.19 0.88 -0.75 4.35 4.67 1o62B1 LEU 152 HB2 0.00 0.14 0.04 -0.04 1.64 1.79 1o62B1 LEU 152 HB3 0.02 -0.08 0.24 -0.04 1.64 1.77 1o62B1 LEU 152 HG 0.02 -0.11 -0.32 -0.04 1.64 1.19 1o62B1 LEU 152 HD13 -0.04 0.02 -0.10 -0.04 0.93 0.76 1o62B1 LEU 152 HD23 0.02 0.02 -0.22 -0.04 0.89 0.67 1o62B1 ILE 153 H -0.01 0.72 0.35 -0.55 8.25 8.77 1o62B1 ILE 153 HA 0.11 0.19 0.95 -0.75 4.18 4.67 1o62B1 ILE 153 HB -0.04 0.04 0.12 -0.04 1.89 1.97 1o62B1 ILE 153 HG12 0.12 0.00 -0.19 -0.04 1.49 1.38 1o62B1 ILE 153 HG13 0.07 -0.02 -0.48 -0.04 1.21 0.74 1o62B1 ILE 153 HG23 -0.04 -0.02 -0.24 -0.04 0.93 0.58 1o62B1 ILE 153 HD13 -0.13 0.02 -0.25 -0.04 0.88 0.48 1o62B1 GLU 154 H 0.02 0.85 0.35 -0.55 8.60 9.27 1o62B1 GLU 154 HA -0.09 0.16 0.91 -0.75 4.29 4.52 1o62B1 GLU 154 HB2 0.02 0.05 0.34 -0.04 2.09 2.47 1o62B1 GLU 154 HB3 0.10 -0.03 -0.01 -0.04 1.99 2.02 1o62B1 GLU 154 HG2 0.06 0.05 -0.04 -0.04 2.34 2.37 1o62B1 GLU 154 HG3 0.06 0.06 -0.05 -0.04 2.34 2.37 1o62B1 ASP 155 H -0.14 0.79 0.22 -0.55 8.40 8.72 1o62B1 ASP 155 HA -0.09 0.13 0.75 -0.75 4.63 4.67 1o62B1 ASP 155 HB2 -0.11 0.13 -0.03 -0.04 2.71 2.66 1o62B1 ASP 155 HB3 -0.14 0.01 -0.04 -0.04 2.70 2.49 1o62B1 ALA 156 H -0.07 0.51 0.16 -0.55 8.40 8.46 1o62B1 ALA 156 HA 0.12 0.08 0.83 -0.75 4.34 4.62 1o62B1 ALA 156 HB3 0.11 0.04 -0.04 -0.04 1.41 1.49 1o62B1 ALA 157 H -0.04 0.09 -0.43 -0.55 8.40 7.47 1o62B1 ALA 157 HA -0.04 -0.04 0.34 -0.75 4.34 3.84 1o62B1 ALA 157 HB3 -0.03 0.00 -0.03 -0.04 1.41 1.31 1o62B1 GLU 158 H -0.04 0.08 -0.21 -0.55 8.60 7.88 1o62B1 GLU 158 HA -0.21 0.26 0.78 -0.75 4.29 4.36 1o62B1 GLU 158 HB2 0.03 -0.03 0.01 -0.04 2.09 2.06 1o62B1 GLU 158 HB3 0.12 0.06 0.07 -0.04 1.99 2.20 1o62B1 GLU 158 HG2 0.08 0.08 -0.10 -0.04 2.34 2.37 1o62B1 GLU 158 HG3 -0.00 -0.10 -0.11 -0.04 2.34 2.08 1o62B1 ALA 159 H -0.03 0.24 -0.47 -0.55 8.40 7.60 1o62B1 ALA 159 HA -0.02 0.24 1.00 -0.75 4.34 4.81 1o62B1 ALA 159 HB3 0.04 0.00 0.09 -0.04 1.41 1.50 1o62B1 LEU 160 H -0.30 0.14 -0.17 -0.55 8.37 7.50 1o62B1 LEU 160 HA -0.45 0.07 0.56 -0.75 4.35 3.77 1o62B1 LEU 160 HB2 -0.64 -0.03 0.14 -0.04 1.64 1.06 1o62B1 LEU 160 HB3 -0.64 0.04 0.13 -0.04 1.64 1.13 1o62B1 LEU 160 HG -0.58 0.03 -0.17 -0.04 1.64 0.87 1o62B1 LEU 160 HD13 -1.16 -0.02 0.02 -0.04 0.93 -0.27 1o62B1 LEU 160 HD23 -0.56 -0.01 -0.04 -0.04 0.89 0.23 1o62B1 GLY 161 H -0.19 0.20 0.24 -0.55 8.43 8.13 1o62B1 GLY 161 HA2 0.31 0.02 0.29 -0.51 4.01 4.13 1o62B1 GLY 161 HA3 0.06 0.17 0.76 -0.51 4.01 4.49 1o62B1 SER 162 H -0.10 0.42 0.00 -0.55 8.46 8.24 1o62B1 SER 162 HA 0.15 0.32 0.85 -0.75 4.49 5.06 1o62B1 SER 162 HB2 -0.07 0.04 0.24 -0.04 3.95 4.12 1o62B1 SER 162 HB3 -0.01 -0.02 0.18 -0.04 3.93 4.05 1o62B1 PHE 163 H 0.25 0.60 0.38 -0.55 8.34 9.01 1o62B1 PHE 163 HA 0.12 0.19 0.90 -0.75 4.62 5.08 1o62B1 PHE 163 HB2 0.04 -0.02 -0.05 -0.04 3.15 3.08 1o62B1 PHE 163 HB3 0.06 -0.11 -0.24 -0.04 3.06 2.73 1o62B1 PHE 163 HD2 0.04 0.00 -0.62 -0.04 7.28 6.67 1o62B1 PHE 163 HE2 0.01 0.07 -0.12 -0.04 7.38 7.30 1o62B1 PHE 163 HZ -0.46 0.08 -0.07 -0.04 7.32 6.83 1o62B1 TYR 164 H 0.42 0.92 0.21 -0.55 8.29 9.29 1o62B1 TYR 164 HA 0.07 0.07 0.86 -0.75 4.56 4.81 1o62B1 TYR 164 HB2 -0.15 -0.07 -0.00 -0.04 3.06 2.81 1o62B1 TYR 164 HB3 0.09 0.09 0.13 -0.04 2.98 3.24 1o62B1 TYR 164 HD2 0.10 0.07 -0.06 -0.04 7.15 7.21 1o62B1 TYR 164 HE2 0.02 0.04 -0.00 -0.04 6.85 6.87 1o62B1 LYS 165 H -0.21 0.44 0.14 -0.55 8.42 8.23 1o62B1 LYS 165 HA -0.09 0.17 0.42 -0.75 4.32 4.06 1o62B1 LYS 165 HB2 0.08 0.07 -0.10 -0.04 1.87 1.88 1o62B1 LYS 165 HB3 -0.00 0.04 0.22 -0.04 1.79 2.00 1o62B1 LYS 165 HG2 -0.22 0.06 0.07 -0.04 1.46 1.33 1o62B1 LYS 165 HG3 -0.81 -0.11 -0.08 -0.04 1.46 0.43 1o62B1 LYS 165 HD2 0.09 -0.04 -0.03 -0.04 1.69 1.67 1o62B1 LYS 165 HD3 -0.01 0.05 0.01 -0.04 1.68 1.70 1o62B1 LYS 165 HE2 -0.10 0.05 -0.01 -0.04 2.99 2.88 1o62B1 LYS 165 HE3 -0.12 -0.10 -0.02 -0.04 2.99 2.71 1o62B1 ASN 166 H 0.07 0.10 -0.23 -0.55 8.53 7.92 1o62B1 ASN 166 HA 0.00 -0.02 0.16 -0.75 4.76 4.15 1o62B1 ASN 166 HB2 0.01 0.20 -0.02 -0.04 2.88 3.03 1o62B1 ASN 166 HB3 -0.06 0.01 0.13 -0.04 2.79 2.83 1o62B1 ASN 166 HD21 -0.07 -0.00 -0.06 -0.04 7.03 6.85 1o62B1 ASN 166 HD22 -0.13 0.01 -0.03 -0.04 7.74 7.56 1o62B1 LYS 167 H 0.31 0.34 -0.63 -0.55 8.42 7.89 1o62B1 LYS 167 HA 0.15 0.21 0.87 -0.75 4.32 4.79 1o62B1 LYS 167 HB2 0.05 0.08 -0.03 -0.04 1.87 1.93 1o62B1 LYS 167 HB3 0.28 0.01 0.08 -0.04 1.79 2.12 1o62B1 LYS 167 HG2 -0.54 -0.03 -0.23 -0.04 1.46 0.62 1o62B1 LYS 167 HG3 -0.18 0.06 0.03 -0.04 1.46 1.33 1o62B1 LYS 167 HD2 -0.25 0.03 -0.03 -0.04 1.69 1.40 1o62B1 LYS 167 HD3 -0.58 -0.07 -0.05 -0.04 1.68 0.93 1o62B1 LYS 167 HE2 -0.55 -0.02 -0.05 -0.04 2.99 2.33 1o62B1 LYS 167 HE3 -1.65 -0.17 -0.28 -0.04 2.99 0.85 1o62B1 ALA 168 H 0.07 0.28 0.11 -0.55 8.40 8.32 1o62B1 ALA 168 HA -0.78 0.10 0.52 -0.75 4.34 3.43 1o62B1 ALA 168 HB3 -0.22 0.06 0.13 -0.04 1.41 1.34 1o62B1 LEU 169 H -0.21 0.59 0.32 -0.55 8.37 8.53 1o62B1 LEU 169 HA 0.16 -0.07 0.44 -0.75 4.35 4.13 1o62B1 LEU 169 HB2 -0.12 0.18 0.13 -0.04 1.64 1.78 1o62B1 LEU 169 HB3 -0.36 -0.12 0.01 -0.04 1.64 1.13 1o62B1 LEU 169 HG -0.13 0.07 -0.35 -0.04 1.64 1.18 1o62B1 LEU 169 HD13 -0.56 -0.02 -0.11 -0.04 0.93 0.21 1o62B1 LEU 169 HD23 -0.33 -0.02 -0.06 -0.04 0.89 0.44 1o62B1 GLY 170 H 0.22 0.01 0.16 -0.55 8.43 8.28 1o62B1 GLY 170 HA2 0.01 -0.09 0.40 -0.51 4.01 3.81 1o62B1 GLY 170 HA3 -0.06 0.25 0.75 -0.51 4.01 4.44 1o62B1 THR 171 H 0.12 0.42 -0.17 -0.55 8.28 8.10 1o62B1 THR 171 HA -0.04 0.21 0.75 -0.75 4.39 4.56 1o62B1 THR 171 HB -0.11 0.01 0.06 -0.04 4.32 4.24 1o62B1 THR 171 HG23 0.02 0.06 -0.21 -0.04 1.22 1.05 1o62B1 PHE 172 H 0.29 -0.19 -0.11 -0.55 8.34 7.78 1o62B1 PHE 172 HA -0.02 0.25 0.70 -0.75 4.62 4.80 1o62B1 PHE 172 HB2 -0.01 -0.16 0.03 -0.04 3.15 2.97 1o62B1 PHE 172 HB3 -0.04 0.02 -0.05 -0.04 3.06 2.95 1o62B1 PHE 172 HD2 -0.03 -0.10 -0.03 -0.04 7.28 7.07 1o62B1 PHE 172 HE2 0.08 0.07 -0.23 -0.04 7.38 7.26 1o62B1 PHE 172 HZ 0.30 0.25 0.01 -0.04 7.32 7.84 1o62B1 GLY 173 H 0.12 -0.12 -0.16 -0.55 8.43 7.72 1o62B1 GLY 173 HA2 0.04 0.12 0.55 -0.51 4.01 4.20 1o62B1 GLY 173 HA3 0.05 0.02 0.20 -0.51 4.01 3.78 1o62B1 GLU 174 H 0.01 0.26 0.34 -0.55 8.60 8.66 1o62B1 GLU 174 HA -0.20 0.02 0.50 -0.75 4.29 3.85 1o62B1 GLU 174 HB2 -0.04 -0.01 0.20 -0.04 2.09 2.21 1o62B1 GLU 174 HB3 0.10 0.06 0.12 -0.04 1.99 2.22 1o62B1 GLU 174 HG2 -0.01 0.09 0.02 -0.04 2.34 2.39 1o62B1 GLU 174 HG3 -1.05 -0.05 -0.05 -0.04 2.34 1.14 1o62B1 PHE 175 H 0.11 0.34 0.05 -0.55 8.34 8.29 1o62B1 PHE 175 HA -0.04 0.29 1.03 -0.75 4.62 5.14 1o62B1 PHE 175 HB2 -0.04 -0.11 0.03 -0.04 3.15 2.98 1o62B1 PHE 175 HB3 -0.05 0.05 0.05 -0.04 3.06 3.07 1o62B1 PHE 175 HD2 -0.02 0.01 -0.12 -0.04 7.28 7.10 1o62B1 PHE 175 HE2 0.00 0.01 -0.16 -0.04 7.38 7.19 1o62B1 PHE 175 HZ 0.01 0.03 -0.15 -0.04 7.32 7.17 1o62B1 GLY 176 H 0.03 0.73 0.38 -0.55 8.43 9.03 1o62B1 GLY 176 HA2 -0.07 0.02 1.07 -0.51 4.01 4.52 1o62B1 GLY 176 HA3 -0.16 0.27 0.46 -0.51 4.01 4.07 1o62B1 VAL 177 H -0.23 0.26 0.35 -0.55 8.24 8.07 1o62B1 VAL 177 HA -0.21 0.43 1.19 -0.75 4.13 4.79 1o62B1 VAL 177 HB -0.10 -0.08 0.17 -0.04 2.12 2.06 1o62B1 VAL 177 HG13 -0.06 -0.02 -0.15 -0.04 0.97 0.70 1o62B1 VAL 177 HG23 -0.07 0.01 -0.28 -0.04 0.95 0.56 1o62B1 TYR 178 H -0.06 0.55 0.35 -0.55 8.29 8.58 1o62B1 TYR 178 HA -0.15 0.23 0.76 -0.75 4.56 4.64 1o62B1 TYR 178 HB2 -0.03 -0.05 0.03 -0.04 3.06 2.96 1o62B1 TYR 178 HB3 -0.38 0.12 0.02 -0.04 2.98 2.70 1o62B1 TYR 178 HD2 -0.08 0.08 -0.09 -0.04 7.15 7.02 1o62B1 TYR 178 HE2 -0.05 0.06 -0.12 -0.04 6.85 6.70 1o62B1 SER 179 H -0.18 0.46 0.36 -0.55 8.46 8.54 1o62B1 SER 179 HA 0.10 0.20 1.04 -0.75 4.49 5.07 1o62B1 SER 179 HB2 -0.00 -0.16 0.03 -0.04 3.95 3.78 1o62B1 SER 179 HB3 -0.07 0.19 0.09 -0.04 3.93 4.09 1o62B1 TYR 180 H 0.20 0.14 0.21 -0.55 8.29 8.29 1o62B1 TYR 180 HA -0.05 0.32 1.12 -0.75 4.56 5.19 1o62B1 TYR 180 HB2 0.08 0.00 -0.14 -0.04 3.06 2.96 1o62B1 TYR 180 HB3 0.06 0.02 -0.01 -0.04 2.98 3.00 1o62B1 TYR 180 HD2 0.11 0.03 -0.29 -0.04 7.15 6.96 1o62B1 TYR 180 HE2 0.08 -0.01 -0.27 -0.04 6.85 6.61 1o62B1 ASN 181 H 0.13 0.03 0.11 -0.55 8.53 8.25 1o62B1 ASN 181 HA 0.16 0.34 1.11 -0.75 4.76 5.61 1o62B1 ASN 181 HB2 0.11 0.07 0.01 -0.04 2.88 3.03 1o62B1 ASN 181 HB3 0.10 -0.05 0.13 -0.04 2.79 2.94 1o62B1 ASN 181 HD21 0.12 0.10 -0.38 -0.04 7.03 6.82 1o62B1 ASN 181 HD22 0.15 -0.06 -0.25 -0.04 7.74 7.54 1o62B1 GLY 182 H 0.11 0.05 -0.08 -0.55 8.43 7.96 1o62B1 GLY 182 HA2 0.14 0.02 0.28 -0.51 4.01 3.95 1o62B1 GLY 182 HA3 0.13 0.11 0.42 -0.51 4.01 4.16 1o62B1 ASN 183 H 0.06 0.14 0.08 -0.55 8.53 8.26 1o62B1 ASN 183 HA 0.07 0.31 0.94 -0.75 4.76 5.32 1o62B1 ASN 183 HB2 -0.06 0.02 0.02 -0.04 2.88 2.82 1o62B1 ASN 183 HB3 -0.11 0.02 0.11 -0.04 2.79 2.77 1o62B1 ASN 183 HD21 0.14 -0.12 -0.16 -0.04 7.03 6.84 1o62B1 ASN 183 HD22 0.14 0.14 -0.07 -0.04 7.74 7.91 1o62B1 LYS 184 H 0.06 0.10 -0.10 -0.55 8.42 7.92 1o62B1 LYS 184 HA 0.03 0.04 0.41 -0.75 4.32 4.04 1o62B1 LYS 184 HB2 0.04 -0.04 0.09 -0.04 1.87 1.93 1o62B1 LYS 184 HB3 0.05 0.10 -0.14 -0.04 1.79 1.76 1o62B1 LYS 184 HG2 0.03 -0.07 0.07 -0.04 1.46 1.45 1o62B1 LYS 184 HG3 0.02 -0.01 0.07 -0.04 1.46 1.51 1o62B1 LYS 184 HD2 0.03 0.21 0.09 -0.04 1.69 1.98 1o62B1 LYS 184 HD3 0.02 0.00 0.04 -0.04 1.68 1.71 1o62B1 ILE 185 H 0.04 0.11 0.16 -0.55 8.25 8.00 1o62B1 ILE 185 HA 0.07 0.06 0.30 -0.75 4.18 3.85 1o62B1 ILE 185 HB 0.04 -0.01 0.16 -0.04 1.89 2.04 1o62B1 ILE 185 HG12 0.04 0.01 0.01 -0.04 1.49 1.51 1o62B1 ILE 185 HG13 0.06 0.01 0.06 -0.04 1.21 1.30 1o62B1 ILE 185 HG23 0.04 -0.00 -0.09 -0.04 0.93 0.83 1o62B1 ILE 185 HD13 0.07 -0.00 0.04 -0.04 0.88 0.95 1o62B1 ILE 186 H 0.04 0.12 -0.35 -0.55 8.25 7.51 1o62B1 ILE 186 HA 0.05 0.15 0.72 -0.75 4.18 4.35 1o62B1 ILE 186 HB 0.03 -0.06 0.02 -0.04 1.89 1.84 1o62B1 ILE 186 HG12 0.04 0.09 0.02 -0.04 1.49 1.60 1o62B1 ILE 186 HG13 0.04 -0.09 -0.40 -0.04 1.21 0.71 1o62B1 ILE 186 HG23 0.04 0.01 -0.13 -0.04 0.93 0.80 1o62B1 ILE 186 HD13 0.03 -0.00 -0.04 -0.04 0.88 0.82 1o62B1 THR 187 H 0.05 0.18 0.08 -0.55 8.28 8.04 1o62B1 THR 187 HA 0.05 0.17 0.98 -0.75 4.39 4.83 1o62B1 THR 187 HB 0.07 -0.18 0.16 -0.04 4.32 4.33 1o62B1 THR 187 HG23 0.07 0.06 -0.14 -0.04 1.22 1.18 1o62B1 THR 188 H 0.05 0.10 0.17 -0.55 8.28 8.04 1o62B1 THR 188 HA 0.03 0.10 0.44 -0.75 4.39 4.20 1o62B1 THR 188 HB 0.04 -0.07 0.16 -0.04 4.32 4.41 1o62B1 THR 188 HG23 0.02 -0.00 -0.12 -0.04 1.22 1.08 1o62B1 SER 189 H 0.05 0.02 -0.02 -0.55 8.46 7.96 1o62B1 SER 189 HA 0.01 0.22 0.83 -0.75 4.49 4.80 1o62B1 SER 189 HB2 0.00 -0.00 -0.06 -0.04 3.95 3.84 1o62B1 SER 189 HB3 0.03 -0.00 -0.03 -0.04 3.93 3.90 1o62B1 GLY 190 H 0.01 0.33 0.23 -0.55 8.43 8.44 1o62B1 GLY 190 HA2 0.08 0.04 0.53 -0.51 4.01 4.15 1o62B1 GLY 190 HA3 0.06 0.11 0.34 -0.51 4.01 4.00 1o62B1 GLY 191 H 0.11 0.14 0.18 -0.55 8.43 8.31 1o62B1 GLY 191 HA2 0.09 0.21 0.34 -0.51 4.01 4.14 1o62B1 GLY 191 HA3 0.08 0.16 0.75 -0.51 4.01 4.49 1o62B1 GLY 192 H 0.16 0.72 0.21 -0.55 8.43 8.98 1o62B1 GLY 192 HA2 0.29 0.25 0.74 -0.51 4.01 4.78 1o62B1 GLY 192 HA3 0.12 -0.14 -0.12 -0.51 4.01 3.35 1o62B1 MET 193 H 0.17 0.47 0.29 -0.55 8.47 8.86 1o62B1 MET 193 HA 0.06 0.26 0.98 -0.75 4.52 5.07 1o62B1 MET 193 HB2 0.11 0.01 -0.24 -0.04 2.15 1.99 1o62B1 MET 193 HB3 0.27 -0.08 0.03 -0.04 2.03 2.21 1o62B1 MET 193 HG2 0.02 0.02 -0.16 -0.04 2.63 2.46 1o62B1 MET 193 HG3 0.03 0.05 -0.33 -0.04 2.56 2.27 1o62B1 MET 193 HE3 -0.90 0.02 -0.26 -0.04 2.10 0.93 1o62B1 LEU 194 H 0.03 0.68 0.31 -0.55 8.37 8.85 1o62B1 LEU 194 HA -0.03 0.25 1.10 -0.75 4.35 4.92 1o62B1 LEU 194 HB2 0.01 -0.10 0.08 -0.04 1.64 1.59 1o62B1 LEU 194 HB3 0.05 -0.00 0.19 -0.04 1.64 1.83 1o62B1 LEU 194 HG 0.13 0.01 -0.29 -0.04 1.64 1.45 1o62B1 LEU 194 HD13 0.09 0.06 0.06 -0.04 0.93 1.10 1o62B1 LEU 194 HD23 0.07 0.00 -0.08 -0.04 0.89 0.84 1o62B1 ILE 195 H -0.06 0.63 0.37 -0.55 8.25 8.64 1o62B1 ILE 195 HA 0.00 0.32 1.03 -0.75 4.18 4.78 1o62B1 ILE 195 HB -0.02 0.05 0.13 -0.04 1.89 2.01 1o62B1 ILE 195 HG12 -0.28 -0.07 -0.09 -0.04 1.49 1.02 1o62B1 ILE 195 HG13 -0.10 -0.01 -0.16 -0.04 1.21 0.90 1o62B1 ILE 195 HG23 0.05 -0.03 -0.19 -0.04 0.93 0.73 1o62B1 ILE 195 HD13 -0.03 -0.01 -0.25 -0.04 0.88 0.55 1o62B1 GLY 196 H -0.04 0.42 0.26 -0.55 8.43 8.52 1o62B1 GLY 196 HA2 -0.18 0.20 0.56 -0.51 4.01 4.08 1o62B1 GLY 196 HA3 -0.21 0.01 0.38 -0.51 4.01 3.67 1o62B1 LYS 197 H -0.29 0.48 0.28 -0.55 8.42 8.33 1o62B1 LYS 197 HA -0.10 0.10 0.68 -0.75 4.32 4.24 1o62B1 LYS 197 HB2 -0.17 -0.01 0.15 -0.04 1.87 1.79 1o62B1 LYS 197 HB3 -0.10 -0.01 0.07 -0.04 1.79 1.70 1o62B1 LYS 197 HG2 -0.10 -0.00 -0.02 -0.04 1.46 1.29 1o62B1 LYS 197 HG3 -0.14 0.13 -0.02 -0.04 1.46 1.39 1o62B1 LYS 197 HD2 -0.09 -0.06 -0.12 -0.04 1.69 1.37 1o62B1 LYS 197 HD3 -0.08 -0.06 -0.03 -0.04 1.68 1.47 1o62B1 LYS 197 HE2 -0.07 0.13 -0.42 -0.04 2.99 2.60 1o62B1 LYS 197 HE3 -0.06 -0.04 -0.09 -0.04 2.99 2.77 1o62B1 ASN 198 H -0.24 0.15 0.03 -0.55 8.53 7.92 1o62B1 ASN 198 HA -0.08 0.21 0.88 -0.75 4.76 5.01 1o62B1 ASN 198 HB2 -0.11 0.12 0.07 -0.04 2.88 2.91 1o62B1 ASN 198 HB3 -0.13 -0.02 0.18 -0.04 2.79 2.78 1o62B1 ASN 198 HD21 -0.03 0.05 0.01 -0.04 7.03 7.02 1o62B1 ASN 198 HD22 -0.05 0.09 0.02 -0.04 7.74 7.76 1o62B1 LYS 199 H -0.04 0.30 0.14 -0.55 8.42 8.26 1o62B1 LYS 199 HA -0.02 0.08 0.25 -0.75 4.32 3.87 1o62B1 LYS 199 HB2 -0.03 0.11 0.10 -0.04 1.87 2.01 1o62B1 LYS 199 HB3 -0.03 -0.02 0.10 -0.04 1.79 1.80 1o62B1 LYS 199 HG2 -0.02 -0.04 -0.19 -0.04 1.46 1.18 1o62B1 LYS 199 HG3 -0.01 0.03 0.02 -0.04 1.46 1.46 1o62B1 LYS 199 HD2 -0.02 0.05 0.01 -0.04 1.69 1.69 1o62B1 LYS 199 HD3 -0.02 -0.01 -0.03 -0.04 1.68 1.58 1o62B1 LYS 199 HE2 -0.02 -0.03 -0.03 -0.04 2.99 2.88 1o62B1 LYS 199 HE3 -0.01 0.03 0.00 -0.04 2.99 2.97 1o62B1 GLU 200 H -0.03 0.11 -0.17 -0.55 8.60 7.96 1o62B1 GLU 200 HA -0.02 0.11 0.41 -0.75 4.29 4.03 1o62B1 GLU 200 HB2 -0.03 0.02 0.08 -0.04 2.09 2.12 1o62B1 GLU 200 HB3 -0.02 -0.01 0.03 -0.04 1.99 1.96 1o62B1 GLU 200 HG2 -0.03 0.04 -0.15 -0.04 2.34 2.15 1o62B1 GLU 200 HG3 -0.05 0.01 0.02 -0.04 2.34 2.27 1o62B1 LYS 201 H 0.00 0.09 -0.24 -0.55 8.42 7.72 1o62B1 LYS 201 HA 0.09 0.13 0.39 -0.75 4.32 4.17 1o62B1 LYS 201 HB2 0.02 0.05 0.07 -0.04 1.87 1.97 1o62B1 LYS 201 HB3 0.34 0.05 -0.04 -0.04 1.79 2.10 1o62B1 LYS 201 HG2 0.02 -0.13 0.03 -0.04 1.46 1.33 1o62B1 LYS 201 HG3 0.01 0.00 0.02 -0.04 1.46 1.45 1o62B1 LYS 201 HD2 0.21 0.13 -0.06 -0.04 1.69 1.93 1o62B1 LYS 201 HD3 0.09 -0.02 -0.02 -0.04 1.68 1.68 1o62B1 LYS 201 HE2 0.07 0.13 -0.00 -0.04 2.99 3.14 1o62B1 LYS 201 HE3 0.03 -0.08 -0.02 -0.04 2.99 2.89 1o62B1 ILE 202 H 0.03 0.50 -0.21 -0.55 8.25 8.03 1o62B1 ILE 202 HA 0.15 0.05 0.36 -0.75 4.18 3.98 1o62B1 ILE 202 HB 0.02 0.09 -0.01 -0.04 1.89 1.95 1o62B1 ILE 202 HG12 -0.02 0.09 -0.16 -0.04 1.49 1.35 1o62B1 ILE 202 HG13 -0.01 -0.01 -0.25 -0.04 1.21 0.90 1o62B1 ILE 202 HG23 0.05 -0.02 -0.31 -0.04 0.93 0.60 1o62B1 ILE 202 HD13 0.16 0.02 -0.35 -0.04 0.88 0.66 1o62B1 GLU 203 H 0.02 0.62 -0.14 -0.55 8.60 8.56 1o62B1 GLU 203 HA 0.04 0.01 0.46 -0.75 4.29 4.04 1o62B1 GLU 203 HB2 -0.02 0.09 0.12 -0.04 2.09 2.24 1o62B1 GLU 203 HB3 -0.01 -0.03 0.05 -0.04 1.99 1.96 1o62B1 GLU 203 HG2 -0.00 0.24 0.08 -0.04 2.34 2.62 1o62B1 GLU 203 HG3 -0.01 -0.03 -0.00 -0.04 2.34 2.25 1o62B1 LYS 204 H 0.02 0.38 -0.43 -0.55 8.42 7.85 1o62B1 LYS 204 HA -0.10 0.05 0.47 -0.75 4.32 3.98 1o62B1 LYS 204 HB2 -0.06 0.06 0.10 -0.04 1.87 1.93 1o62B1 LYS 204 HB3 0.03 0.14 0.13 -0.04 1.79 2.06 1o62B1 LYS 204 HG2 -0.04 0.05 -0.02 -0.04 1.46 1.41 1o62B1 LYS 204 HG3 -0.32 -0.05 -0.13 -0.04 1.46 0.92 1o62B1 LYS 204 HD2 -0.43 -0.05 0.05 -0.04 1.69 1.22 1o62B1 LYS 204 HD3 -0.25 0.01 -0.01 -0.04 1.68 1.39 1o62B1 LYS 204 HE2 -0.56 -0.03 -0.05 -0.04 2.99 2.31 1o62B1 LYS 204 HE3 -0.35 -0.01 -0.04 -0.04 2.99 2.54 1o62B1 ALA 205 H 0.11 0.42 -0.22 -0.55 8.40 8.16 1o62B1 ALA 205 HA 0.28 0.04 0.41 -0.75 4.34 4.31 1o62B1 ALA 205 HB3 0.13 0.05 0.04 -0.04 1.41 1.58 1o62B1 ARG 206 H 0.10 0.56 -0.17 -0.55 8.46 8.39 1o62B1 ARG 206 HA 0.10 -0.04 0.31 -0.75 4.34 3.95 1o62B1 ARG 206 HB2 0.07 0.04 0.08 -0.04 1.90 2.05 1o62B1 ARG 206 HB3 0.08 0.16 0.10 -0.04 1.80 2.10 1o62B1 ARG 206 HG2 0.07 0.01 -0.11 -0.04 1.67 1.60 1o62B1 ARG 206 HG3 0.07 -0.07 0.03 -0.04 1.67 1.65 1o62B1 ARG 206 HD2 0.04 0.04 -0.02 -0.04 3.22 3.24 1o62B1 ARG 206 HD3 0.04 -0.02 -0.01 -0.04 3.22 3.19 1o62B1 PHE 207 H 0.17 0.48 -0.37 -0.55 8.34 8.07 1o62B1 PHE 207 HA -0.02 0.02 0.38 -0.75 4.62 4.25 1o62B1 PHE 207 HB2 -0.10 0.01 0.11 -0.04 3.15 3.13 1o62B1 PHE 207 HB3 -0.22 0.17 0.22 -0.04 3.06 3.19 1o62B1 PHE 207 HD2 -0.46 0.10 -0.04 -0.04 7.28 6.84 1o62B1 PHE 207 HE2 -0.16 0.06 -0.31 -0.04 7.38 6.92 1o62B1 PHE 207 HZ -0.03 -0.07 -0.12 -0.04 7.32 7.06 1o62B1 TYR 208 H 0.11 0.54 -0.24 -0.55 8.29 8.15 1o62B1 TYR 208 HA -0.31 -0.01 0.44 -0.75 4.56 3.93 1o62B1 TYR 208 HB2 0.11 0.15 0.20 -0.04 3.06 3.48 1o62B1 TYR 208 HB3 0.22 -0.12 -0.02 -0.04 2.98 3.02 1o62B1 TYR 208 HD2 -0.08 -0.07 -0.06 -0.04 7.15 6.89 1o62B1 TYR 208 HE2 0.01 0.00 -0.10 -0.04 6.85 6.72 1o62B1 SER 209 H 0.17 0.62 -0.17 -0.55 8.46 8.53 1o62B1 SER 209 HA 0.21 -0.09 0.33 -0.75 4.49 4.19 1o62B1 SER 209 HB2 0.19 -0.22 -0.05 -0.04 3.95 3.83 1o62B1 SER 209 HB3 0.18 0.07 -0.01 -0.04 3.93 4.12 1o62B1 THR 210 H 0.00 0.33 -0.57 -0.55 8.28 7.49 1o62B1 THR 210 HA 0.04 0.15 1.10 -0.75 4.39 4.92 1o62B1 THR 210 HB 0.03 -0.01 0.22 -0.04 4.32 4.53 1o62B1 THR 210 HG23 0.06 -0.03 -0.08 -0.04 1.22 1.13 1o62B1 GLN 211 H -0.05 0.50 0.06 -0.55 8.47 8.43 1o62B1 GLN 211 HA -0.13 -0.11 0.23 -0.75 4.36 3.59 1o62B1 GLN 211 HB2 0.06 0.24 -0.01 -0.04 2.15 2.39 1o62B1 GLN 211 HB3 -0.04 -0.02 0.12 -0.04 2.02 2.04 1o62B1 GLN 211 HG2 -0.00 -0.02 -0.31 -0.04 2.40 2.03 1o62B1 GLN 211 HG3 0.00 -0.01 -0.12 -0.04 2.39 2.22 1o62B1 GLN 211 HE21 -0.07 -0.03 -0.18 -0.04 6.97 6.66 1o62B1 GLN 211 HE22 -0.03 -0.01 -0.19 -0.04 7.69 7.41 1o62B1 ALA 212 H -0.32 0.23 -0.18 -0.55 8.40 7.58 1o62B1 ALA 212 HA -1.60 0.12 0.15 -0.75 4.34 2.26 1o62B1 ALA 212 HB3 -0.30 0.01 -0.30 -0.04 1.41 0.78 1o62B1 ARG 213 H -0.13 0.14 -0.09 -0.55 8.46 7.83 1o62B1 ARG 213 HA -0.07 0.15 0.69 -0.75 4.34 4.36 1o62B1 ARG 213 HB2 -0.04 -0.07 0.05 -0.04 1.90 1.80 1o62B1 ARG 213 HB3 -0.18 0.05 0.10 -0.04 1.80 1.73 1o62B1 ARG 213 HG2 0.18 -0.06 -0.00 -0.04 1.67 1.75 1o62B1 ARG 213 HG3 0.07 0.10 -0.04 -0.04 1.67 1.76 1o62B1 ARG 213 HD2 -0.01 -0.07 0.07 -0.04 3.22 3.17 1o62B1 ARG 213 HD3 -0.08 -0.03 0.03 -0.04 3.22 3.09 1o62B1 GLU 214 H -0.19 0.41 0.38 -0.55 8.60 8.65 1o62B1 GLU 214 HA 0.05 0.06 0.59 -0.75 4.29 4.23 1o62B1 GLU 214 HB2 -0.16 -0.03 0.11 -0.04 2.09 1.97 1o62B1 GLU 214 HB3 -0.08 -0.03 -0.04 -0.04 1.99 1.80 1o62B1 GLU 214 HG2 0.01 0.10 -0.06 -0.04 2.34 2.35 1o62B1 GLU 214 HG3 -0.03 -0.05 -0.12 -0.04 2.34 2.11 1o62B1 ASN 215 H -0.05 0.11 0.08 -0.55 8.53 8.12 1o62B1 ASN 215 HA -0.08 0.18 0.57 -0.75 4.76 4.67 1o62B1 ASN 215 HB2 -0.03 0.01 0.11 -0.04 2.88 2.93 1o62B1 ASN 215 HB3 -0.05 -0.04 0.23 -0.04 2.79 2.89 1o62B1 ASN 215 HD21 -0.03 -0.01 -0.01 -0.04 7.03 6.94 1o62B1 ASN 215 HD22 -0.03 -0.03 0.04 -0.04 7.74 7.68 1o62B1 CYS 216 H -0.20 0.63 0.15 -0.55 8.50 8.53 1o62B1 CYS 216 HA -0.09 0.11 0.79 -0.75 4.58 4.65 1o62B1 CYS 216 HB2 -0.56 0.26 -0.11 -0.04 2.97 2.52 1o62B1 CYS 216 HB3 -0.24 -0.16 0.04 -0.04 2.97 2.58 1o62B1 LEU 217 H 0.00 0.07 0.13 -0.55 8.37 8.04 1o62B1 LEU 217 HA -0.04 0.08 0.45 -0.75 4.35 4.10 1o62B1 LEU 217 HB2 0.03 0.00 0.12 -0.04 1.64 1.75 1o62B1 LEU 217 HB3 0.10 -0.08 0.15 -0.04 1.64 1.77 1o62B1 LEU 217 HG 0.07 0.01 -0.22 -0.04 1.64 1.45 1o62B1 LEU 217 HD13 0.02 0.01 0.05 -0.04 0.93 0.97 1o62B1 LEU 217 HD23 0.04 -0.01 -0.00 -0.04 0.89 0.88 1o62B1 HIS 218 H 0.13 -0.06 -0.09 -0.55 8.41 7.85 1o62B1 HIS 218 HA 0.06 0.17 0.59 -0.75 4.63 4.70 1o62B1 HIS 218 HB2 0.07 -0.02 0.12 -0.04 3.26 3.39 1o62B1 HIS 218 HB3 0.03 -0.02 0.04 -0.04 3.20 3.21 1o62B1 HIS 218 HD2 0.03 0.19 -0.27 -0.04 6.97 6.88 1o62B1 HIS 218 HE1 -0.02 0.00 -0.06 -0.04 7.75 7.63 1o62B1 TYR 219 H 0.34 0.12 0.11 -0.55 8.29 8.31 1o62B1 TYR 219 HA -0.21 0.22 0.87 -0.75 4.56 4.69 1o62B1 TYR 219 HB2 0.08 -0.05 0.18 -0.04 3.06 3.23 1o62B1 TYR 219 HB3 0.15 0.04 -0.02 -0.04 2.98 3.11 1o62B1 TYR 219 HD2 0.12 -0.03 -0.01 -0.04 7.15 7.19 1o62B1 TYR 219 HE2 0.04 0.01 -0.01 -0.04 6.85 6.85 1o62B1 GLU 220 H -0.43 0.28 0.22 -0.55 8.60 8.13 1o62B1 GLU 220 HA -0.04 0.16 0.86 -0.75 4.29 4.52 1o62B1 GLU 220 HB2 -0.24 -0.03 -0.18 -0.04 2.09 1.61 1o62B1 GLU 220 HB3 -0.20 -0.05 0.03 -0.04 1.99 1.73 1o62B1 GLU 220 HG2 0.03 -0.02 -0.08 -0.04 2.34 2.22 1o62B1 GLU 220 HG3 0.00 0.03 -0.14 -0.04 2.34 2.19 1o62B1 HIS 221 H 0.07 0.21 0.14 -0.55 8.41 8.29 1o62B1 HIS 221 HA 0.08 0.21 1.13 -0.75 4.63 5.30 1o62B1 HIS 221 HB2 0.06 -0.08 0.07 -0.04 3.26 3.28 1o62B1 HIS 221 HB3 0.06 0.32 0.12 -0.04 3.20 3.66 1o62B1 HIS 221 HD2 0.09 -0.02 -0.17 -0.04 6.97 6.82 1o62B1 HIS 221 HE1 0.14 -0.02 -0.13 -0.04 7.75 7.69 1o62B1 LEU 222 H 0.20 0.19 0.20 -0.55 8.37 8.41 1o62B1 LEU 222 HA 0.10 0.14 0.74 -0.75 4.35 4.57 1o62B1 LEU 222 HB2 0.12 0.01 0.03 -0.04 1.64 1.76 1o62B1 LEU 222 HB3 0.06 0.01 0.06 -0.04 1.64 1.73 1o62B1 LEU 222 HG 0.05 -0.05 -0.12 -0.04 1.64 1.48 1o62B1 LEU 222 HD13 -0.02 0.00 -0.03 -0.04 0.93 0.84 1o62B1 LEU 222 HD23 0.04 0.02 -0.04 -0.04 0.89 0.87 1o62B1 ASP 223 H 0.22 0.17 0.14 -0.55 8.40 8.38 1o62B1 ASP 223 HA 0.13 0.16 0.63 -0.75 4.63 4.79 1o62B1 ASP 223 HB2 0.23 -0.07 -0.21 -0.04 2.71 2.62 1o62B1 ASP 223 HB3 0.25 0.06 -0.11 -0.04 2.70 2.86 1o62B1 TYR 224 H -0.13 0.18 0.15 -0.55 8.29 7.93 1o62B1 TYR 224 HA -0.14 0.21 0.81 -0.75 4.56 4.69 1o62B1 TYR 224 HB2 -0.20 0.02 0.06 -0.04 3.06 2.91 1o62B1 TYR 224 HB3 -0.10 -0.01 -0.02 -0.04 2.98 2.80 1o62B1 TYR 224 HD2 -0.26 0.08 -0.11 -0.04 7.15 6.83 1o62B1 TYR 224 HE2 -0.16 -0.00 -0.05 -0.04 6.85 6.60 1o62B1 GLY 225 H -0.17 0.16 -0.03 -0.55 8.43 7.84 1o62B1 GLY 225 HA2 -0.69 0.19 0.84 -0.51 4.01 3.85 1o62B1 GLY 225 HA3 -0.26 -0.04 0.33 -0.51 4.01 3.54 1o62B1 TYR 226 H -0.09 0.69 0.35 -0.55 8.29 8.69 1o62B1 TYR 226 HA -0.21 0.20 0.78 -0.75 4.56 4.57 1o62B1 TYR 226 HB2 -0.83 -0.06 -0.13 -0.04 3.06 2.00 1o62B1 TYR 226 HB3 -0.90 -0.04 0.02 -0.04 2.98 2.01 1o62B1 TYR 226 HD2 -0.23 0.04 -0.15 -0.04 7.15 6.76 1o62B1 TYR 226 HE2 -0.28 0.03 -0.10 -0.04 6.85 6.46 1o62B1 ASN 227 H -0.12 0.21 0.02 -0.55 8.53 8.10 1o62B1 ASN 227 HA 0.03 0.24 0.92 -0.75 4.76 5.20 1o62B1 ASN 227 HB2 0.00 0.03 0.04 -0.04 2.88 2.91 1o62B1 ASN 227 HB3 0.03 -0.02 0.25 -0.04 2.79 3.01 1o62B1 ASN 227 HD21 0.04 -0.00 0.01 -0.04 7.03 7.04 1o62B1 ASN 227 HD22 0.02 0.00 0.02 -0.04 7.74 7.75 1o62B1 TYR 228 H 0.16 0.67 0.09 -0.55 8.29 8.66 1o62B1 TYR 228 HA 0.06 0.16 0.95 -0.75 4.56 4.98 1o62B1 TYR 228 HB2 0.06 0.10 0.04 -0.04 3.06 3.21 1o62B1 TYR 228 HB3 0.03 -0.15 0.07 -0.04 2.98 2.90 1o62B1 TYR 228 HD2 -0.07 0.13 -0.07 -0.04 7.15 7.10 1o62B1 TYR 228 HE2 -0.33 0.05 -0.07 -0.04 6.85 6.46 1o62B1 ARG 229 H 0.15 0.27 0.14 -0.55 8.46 8.47 1o62B1 ARG 229 HA 0.12 0.10 0.55 -0.75 4.34 4.36 1o62B1 ARG 229 HB2 0.09 0.09 0.07 -0.04 1.90 2.12 1o62B1 ARG 229 HB3 0.08 -0.02 0.03 -0.04 1.80 1.86 1o62B1 ARG 229 HG2 0.07 -0.01 -0.00 -0.04 1.67 1.69 1o62B1 ARG 229 HG3 0.08 0.10 0.01 -0.04 1.67 1.82 1o62B1 ARG 229 HD2 0.09 0.13 0.12 -0.04 3.22 3.52 1o62B1 ARG 229 HD3 0.09 -0.01 -0.03 -0.04 3.22 3.23 1o62B1 LEU 230 H 0.10 0.38 0.14 -0.55 8.37 8.44 1o62B1 LEU 230 HA 0.07 0.02 0.27 -0.75 4.35 3.96 1o62B1 LEU 230 HB2 0.11 0.01 -0.30 -0.04 1.64 1.42 1o62B1 LEU 230 HB3 0.10 -0.01 -0.09 -0.04 1.64 1.60 1o62B1 LEU 230 HG 0.01 0.10 -0.12 -0.04 1.64 1.59 1o62B1 LEU 230 HD13 0.03 0.04 -0.05 -0.04 0.93 0.91 1o62B1 LEU 230 HD23 0.04 0.00 -0.15 -0.04 0.89 0.75 1o62B1 SER 231 H 0.04 0.06 0.12 -0.55 8.46 8.13 1o62B1 SER 231 HA 0.05 0.26 0.61 -0.75 4.49 4.66 1o62B1 SER 231 HB2 0.04 -0.02 0.15 -0.04 3.95 4.08 1o62B1 SER 231 HB3 0.04 0.17 0.11 -0.04 3.93 4.20 1o62B1 ASN 232 H 0.04 0.27 0.16 -0.55 8.53 8.45 1o62B1 ASN 232 HA 0.05 0.02 0.38 -0.75 4.76 4.45 1o62B1 ASN 232 HB2 0.05 0.13 0.15 -0.04 2.88 3.18 1o62B1 ASN 232 HB3 0.02 0.08 0.04 -0.04 2.79 2.89 1o62B1 ASN 232 HD21 0.21 -0.00 -0.22 -0.04 7.03 6.98 1o62B1 ASN 232 HD22 0.06 0.14 -0.13 -0.04 7.74 7.77 1o62B1 VAL 233 H -0.02 0.13 -0.12 -0.55 8.24 7.68 1o62B1 VAL 233 HA -0.22 0.13 0.39 -0.75 4.13 3.67 1o62B1 VAL 233 HB -0.02 -0.05 0.08 -0.04 2.12 2.08 1o62B1 VAL 233 HG13 -0.10 0.02 -0.14 -0.04 0.97 0.71 1o62B1 VAL 233 HG23 -0.05 0.03 0.03 -0.04 0.95 0.92 1o62B1 LEU 234 H -0.05 0.10 -0.18 -0.55 8.37 7.69 1o62B1 LEU 234 HA -0.12 0.07 0.46 -0.75 4.35 4.01 1o62B1 LEU 234 HB2 -0.05 -0.01 0.06 -0.04 1.64 1.60 1o62B1 LEU 234 HB3 -0.08 0.19 0.13 -0.04 1.64 1.83 1o62B1 LEU 234 HG -0.01 -0.06 0.05 -0.04 1.64 1.57 1o62B1 LEU 234 HD13 0.01 0.02 -0.00 -0.04 0.93 0.92 1o62B1 LEU 234 HD23 -0.03 -0.01 0.02 -0.04 0.89 0.83 1o62B1 GLY 235 H -0.09 0.36 -0.50 -0.55 8.43 7.66 1o62B1 GLY 235 HA2 -0.37 0.04 0.38 -0.51 4.01 3.56 1o62B1 GLY 235 HA3 -0.04 0.03 0.06 -0.51 4.01 3.55 1o62B1 ALA 236 H -0.17 0.54 -0.20 -0.55 8.40 8.02 1o62B1 ALA 236 HA -0.08 0.01 0.35 -0.75 4.34 3.86 1o62B1 ALA 236 HB3 -0.59 0.04 0.00 -0.04 1.41 0.83 1o62B1 ILE 237 H -0.19 0.37 -0.28 -0.55 8.25 7.60 1o62B1 ILE 237 HA -0.07 -0.04 0.43 -0.75 4.18 3.75 1o62B1 ILE 237 HB -0.16 0.14 0.14 -0.04 1.89 1.97 1o62B1 ILE 237 HG12 -0.08 -0.08 -0.00 -0.04 1.49 1.28 1o62B1 ILE 237 HG13 -0.13 0.16 0.05 -0.04 1.21 1.25 1o62B1 ILE 237 HG23 -0.05 -0.02 -0.10 -0.04 0.93 0.72 1o62B1 ILE 237 HD13 -0.05 -0.01 -0.05 -0.04 0.88 0.73 1o62B1 GLY 238 H -0.52 0.55 -0.20 -0.55 8.43 7.72 1o62B1 GLY 238 HA2 -0.53 -0.01 0.34 -0.51 4.01 3.30 1o62B1 GLY 238 HA3 -2.11 0.07 0.29 -0.51 4.01 1.75 1o62B1 VAL 239 H -0.19 0.53 -0.21 -0.55 8.24 7.82 1o62B1 VAL 239 HA 0.25 0.03 0.39 -0.75 4.13 4.05 1o62B1 VAL 239 HB 0.15 0.13 0.13 -0.04 2.12 2.48 1o62B1 VAL 239 HG13 0.11 -0.01 -0.15 -0.04 0.97 0.88 1o62B1 VAL 239 HG23 0.13 0.05 -0.08 -0.04 0.95 1.01 1o62B1 ALA 240 H 0.16 0.47 -0.15 -0.55 8.40 8.34 1o62B1 ALA 240 HA 0.18 0.01 0.37 -0.75 4.34 4.16 1o62B1 ALA 240 HB3 0.04 0.00 0.07 -0.04 1.41 1.48 1o62B1 GLN 241 H 0.05 0.52 -0.26 -0.55 8.47 8.22 1o62B1 GLN 241 HA 0.11 0.02 0.44 -0.75 4.36 4.16 1o62B1 GLN 241 HB2 0.11 0.11 0.14 -0.04 2.15 2.47 1o62B1 GLN 241 HB3 0.21 -0.02 -0.01 -0.04 2.02 2.16 1o62B1 GLN 241 HG2 0.12 -0.03 0.01 -0.04 2.40 2.47 1o62B1 GLN 241 HG3 0.05 0.02 0.00 -0.04 2.39 2.42 1o62B1 GLN 241 HE21 0.11 -0.06 -0.11 -0.04 6.97 6.87 1o62B1 GLN 241 HE22 0.10 -0.03 -0.03 -0.04 7.69 7.69 1o62B1 MET 242 H 0.17 0.56 -0.10 -0.55 8.47 8.55 1o62B1 MET 242 HA 0.06 -0.00 0.46 -0.75 4.52 4.28 1o62B1 MET 242 HB2 0.18 0.12 0.17 -0.04 2.15 2.58 1o62B1 MET 242 HB3 0.09 -0.01 -0.03 -0.04 2.03 2.04 1o62B1 MET 242 HG2 0.42 0.16 0.03 -0.04 2.63 3.20 1o62B1 MET 242 HG3 0.14 -0.02 -0.08 -0.04 2.56 2.56 1o62B1 MET 242 HE3 -0.13 -0.00 -0.12 -0.04 2.10 1.80 1o62B1 GLU 243 H 0.13 0.51 -0.18 -0.55 8.60 8.51 1o62B1 GLU 243 HA 0.10 0.05 0.41 -0.75 4.29 4.10 1o62B1 GLU 243 HB2 0.12 0.08 0.11 -0.04 2.09 2.36 1o62B1 GLU 243 HB3 0.10 -0.03 0.08 -0.04 1.99 2.10 1o62B1 GLU 243 HG2 0.13 -0.02 0.02 -0.04 2.34 2.42 1o62B1 GLU 243 HG3 0.16 0.21 0.06 -0.04 2.34 2.73 1o62B1 VAL 244 H 0.09 0.33 -0.46 -0.55 8.24 7.64 1o62B1 VAL 244 HA 0.07 0.18 0.98 -0.75 4.13 4.60 1o62B1 VAL 244 HB 0.06 -0.07 0.16 -0.04 2.12 2.23 1o62B1 VAL 244 HG13 0.05 0.02 -0.08 -0.04 0.97 0.92 1o62B1 VAL 244 HG23 0.09 0.04 -0.01 -0.04 0.95 1.03 1o62B1 LEU 245 H 0.05 0.39 -0.20 -0.55 8.37 8.07 1o62B1 LEU 245 HA 0.13 0.04 0.43 -0.75 4.35 4.20 1o62B1 LEU 245 HB2 -0.08 0.05 0.16 -0.04 1.64 1.73 1o62B1 LEU 245 HB3 -0.18 0.13 0.20 -0.04 1.64 1.75 1o62B1 LEU 245 HG -0.18 -0.02 -0.34 -0.04 1.64 1.07 1o62B1 LEU 245 HD13 -0.13 0.01 -0.02 -0.04 0.93 0.76 1o62B1 LEU 245 HD23 -0.91 -0.02 -0.10 -0.04 0.89 -0.17 1o62B1 GLU 246 H 0.09 0.23 -0.11 -0.55 8.60 8.26 1o62B1 GLU 246 HA 0.18 0.07 0.42 -0.75 4.29 4.20 1o62B1 GLU 246 HB2 0.27 0.05 0.10 -0.04 2.09 2.47 1o62B1 GLU 246 HB3 0.13 0.02 0.04 -0.04 1.99 2.14 1o62B1 GLU 246 HG2 0.11 0.04 -0.01 -0.04 2.34 2.45 1o62B1 GLU 246 HG3 0.09 -0.01 -0.12 -0.04 2.34 2.26 1o62B1 GLN 247 H 0.08 0.14 -0.27 -0.55 8.47 7.88 1o62B1 GLN 247 HA 0.05 0.03 0.41 -0.75 4.36 4.10 1o62B1 GLN 247 HB2 0.06 0.13 0.13 -0.04 2.15 2.43 1o62B1 GLN 247 HB3 0.04 -0.00 0.03 -0.04 2.02 2.04 1o62B1 GLN 247 HG2 0.04 -0.00 0.05 -0.04 2.40 2.44 1o62B1 GLN 247 HG3 0.06 -0.04 0.05 -0.04 2.39 2.41 1o62B1 GLN 247 HE21 0.04 0.01 0.04 -0.04 6.97 7.02 1o62B1 GLN 247 HE22 0.06 0.05 0.12 -0.04 7.69 7.87 1o62B1 ARG 248 H 0.10 0.47 -0.22 -0.55 8.46 8.25 1o62B1 ARG 248 HA 0.01 -0.01 0.47 -0.75 4.34 4.06 1o62B1 ARG 248 HB2 0.29 0.20 0.27 -0.04 1.90 2.61 1o62B1 ARG 248 HB3 0.07 -0.06 0.05 -0.04 1.80 1.82 1o62B1 ARG 248 HG2 0.11 0.23 0.09 -0.04 1.67 2.06 1o62B1 ARG 248 HG3 0.23 -0.04 -0.01 -0.04 1.67 1.81 1o62B1 ARG 248 HD2 -0.01 -0.04 0.06 -0.04 3.22 3.19 1o62B1 ARG 248 HD3 0.02 -0.01 0.02 -0.04 3.22 3.21 1o62B1 VAL 249 H 0.20 0.67 0.09 -0.55 8.24 8.64 1o62B1 VAL 249 HA 0.22 0.08 0.42 -0.75 4.13 4.09 1o62B1 VAL 249 HB 0.17 0.05 0.21 -0.04 2.12 2.51 1o62B1 VAL 249 HG13 0.17 0.01 -0.08 -0.04 0.97 1.03 1o62B1 VAL 249 HG23 0.28 0.05 0.10 -0.04 0.95 1.34 1o62B1 LEU 250 H 0.06 0.56 -0.12 -0.55 8.37 8.33 1o62B1 LEU 250 HA -0.01 -0.01 0.35 -0.75 4.35 3.92 1o62B1 LEU 250 HB2 0.01 0.13 0.13 -0.04 1.64 1.87 1o62B1 LEU 250 HB3 -0.02 -0.06 0.04 -0.04 1.64 1.55 1o62B1 LEU 250 HG 0.05 0.28 0.10 -0.04 1.64 2.03 1o62B1 LEU 250 HD13 0.02 -0.03 -0.02 -0.04 0.93 0.86 1o62B1 LEU 250 HD23 0.01 -0.02 0.00 -0.04 0.89 0.84 1o62B1 LYS 251 H -0.03 0.44 -0.28 -0.55 8.42 7.99 1o62B1 LYS 251 HA -0.14 -0.03 0.56 -0.75 4.32 3.95 1o62B1 LYS 251 HB2 -0.04 0.03 0.18 -0.04 1.87 2.00 1o62B1 LYS 251 HB3 -0.08 0.11 0.25 -0.04 1.79 2.03 1o62B1 LYS 251 HG2 -0.02 0.10 0.14 -0.04 1.46 1.63 1o62B1 LYS 251 HG3 -0.08 -0.04 -0.03 -0.04 1.46 1.27 1o62B1 LYS 251 HD2 -0.16 -0.12 0.17 -0.04 1.69 1.54 1o62B1 LYS 251 HD3 0.00 -0.04 0.08 -0.04 1.68 1.68 1o62B1 LYS 251 HE2 0.09 -0.04 0.04 -0.04 2.99 3.04 1o62B1 LYS 251 HE3 0.27 -0.17 0.04 -0.04 2.99 3.09 1o62B1 LYS 252 H -0.11 0.68 0.06 -0.55 8.42 8.50 1o62B1 LYS 252 HA -0.15 -0.01 0.40 -0.75 4.32 3.81 1o62B1 LYS 252 HB2 -0.04 0.19 0.19 -0.04 1.87 2.16 1o62B1 LYS 252 HB3 -0.09 0.18 -0.08 -0.04 1.79 1.76 1o62B1 LYS 252 HG2 -0.41 0.04 0.04 -0.04 1.46 1.08 1o62B1 LYS 252 HG3 -0.55 -0.09 -0.05 -0.04 1.46 0.72 1o62B1 LYS 252 HD2 -0.44 0.16 0.10 -0.04 1.69 1.46 1o62B1 LYS 252 HD3 -0.36 -0.01 0.08 -0.04 1.68 1.35 1o62B1 LYS 252 HE2 -0.95 -0.16 0.07 -0.04 2.99 1.91 1o62B1 LYS 252 HE3 -2.71 -0.11 0.07 -0.04 2.99 0.19 1o62B1 ARG 253 H -0.06 0.61 -0.21 -0.55 8.46 8.25 1o62B1 ARG 253 HA -0.02 -0.01 0.40 -0.75 4.34 3.96 1o62B1 ARG 253 HB2 -0.06 0.13 0.10 -0.04 1.90 2.03 1o62B1 ARG 253 HB3 -0.05 -0.10 0.01 -0.04 1.80 1.62 1o62B1 ARG 253 HG2 -0.03 -0.05 -0.06 -0.04 1.67 1.48 1o62B1 ARG 253 HG3 0.01 0.18 -0.09 -0.04 1.67 1.73 1o62B1 ARG 253 HD2 0.04 0.05 -0.09 -0.04 3.22 3.18 1o62B1 ARG 253 HD3 0.02 -0.03 -0.13 -0.04 3.22 3.04 1o62B1 GLU 254 H -0.25 0.45 -0.22 -0.55 8.60 8.03 1o62B1 GLU 254 HA -0.52 -0.02 0.46 -0.75 4.29 3.45 1o62B1 GLU 254 HB2 -0.54 0.21 0.29 -0.04 2.09 2.02 1o62B1 GLU 254 HB3 -1.47 -0.09 -0.02 -0.04 1.99 0.37 1o62B1 GLU 254 HG2 -0.34 -0.08 0.06 -0.04 2.34 1.95 1o62B1 GLU 254 HG3 -0.23 0.19 0.09 -0.04 2.34 2.35 1o62B1 ILE 255 H -0.41 0.74 -0.03 -0.55 8.25 7.99 1o62B1 ILE 255 HA -0.21 -0.07 0.36 -0.75 4.18 3.52 1o62B1 ILE 255 HB -0.06 0.21 0.17 -0.04 1.89 2.17 1o62B1 ILE 255 HG12 0.14 -0.10 -0.04 -0.04 1.49 1.44 1o62B1 ILE 255 HG13 -0.19 0.12 0.06 -0.04 1.21 1.17 1o62B1 ILE 255 HG23 0.09 -0.04 -0.11 -0.04 0.93 0.83 1o62B1 ILE 255 HD13 -0.01 -0.02 -0.16 -0.04 0.88 0.64 1o62B1 TYR 256 H 0.03 0.61 -0.24 -0.55 8.29 8.14 1o62B1 TYR 256 HA 0.16 -0.03 0.38 -0.75 4.56 4.32 1o62B1 TYR 256 HB2 0.01 0.13 0.11 -0.04 3.06 3.28 1o62B1 TYR 256 HB3 -0.06 0.16 0.16 -0.04 2.98 3.19 1o62B1 TYR 256 HD2 0.05 0.00 -0.03 -0.04 7.15 7.13 1o62B1 TYR 256 HE2 0.11 -0.00 0.03 -0.04 6.85 6.94 1o62B1 GLU 257 H -0.13 0.56 -0.16 -0.55 8.60 8.32 1o62B1 GLU 257 HA -0.23 -0.02 0.45 -0.75 4.29 3.74 1o62B1 GLU 257 HB2 -0.33 0.16 0.20 -0.04 2.09 2.08 1o62B1 GLU 257 HB3 -0.16 -0.08 0.05 -0.04 1.99 1.76 1o62B1 GLU 257 HG2 -0.02 0.23 0.12 -0.04 2.34 2.63 1o62B1 GLU 257 HG3 -0.09 -0.05 0.04 -0.04 2.34 2.20 1o62B1 TRP 258 H -0.30 0.58 -0.17 -0.55 7.97 7.53 1o62B1 TRP 258 HA -0.59 -0.00 0.45 -0.75 4.62 3.72 1o62B1 TRP 258 HB2 -0.26 0.17 0.15 -0.04 3.23 3.25 1o62B1 TRP 258 HB3 -0.22 -0.07 -0.00 -0.04 3.23 2.90 1o62B1 TRP 258 HD1 -0.22 -0.02 -0.04 -0.04 7.22 6.90 1o62B1 TRP 258 HE1 -0.05 -0.02 -0.01 -0.04 10.20 10.09 1o62B1 TRP 258 HE3 -0.10 0.04 -0.11 -0.04 7.59 7.38 1o62B1 TRP 258 HZ2 -0.02 -0.00 0.00 -0.04 7.44 7.39 1o62B1 TRP 258 HZ3 -0.04 0.21 -0.27 -0.04 7.13 6.99 1o62B1 TRP 258 HH2 -0.02 0.02 0.01 -0.04 7.19 7.16 1o62B1 TYR 259 H -0.05 0.59 -0.13 -0.55 8.29 8.15 1o62B1 TYR 259 HA 0.02 0.01 0.39 -0.75 4.56 4.23 1o62B1 TYR 259 HB2 -0.12 0.18 0.16 -0.04 3.06 3.24 1o62B1 TYR 259 HB3 0.13 -0.05 -0.10 -0.04 2.98 2.91 1o62B1 TYR 259 HD2 0.07 -0.02 -0.06 -0.04 7.15 7.09 1o62B1 TYR 259 HE2 0.03 0.09 -0.05 -0.04 6.85 6.88 1o62B1 LYS 260 H -0.56 0.56 -0.14 -0.55 8.42 7.71 1o62B1 LYS 260 HA -1.60 0.00 0.34 -0.75 4.32 2.31 1o62B1 LYS 260 HB2 -1.03 0.04 0.11 -0.04 1.87 0.95 1o62B1 LYS 260 HB3 -0.46 0.11 0.12 -0.04 1.79 1.51 1o62B1 LYS 260 HG2 -0.34 -0.02 0.03 -0.04 1.46 1.08 1o62B1 LYS 260 HG3 -0.64 -0.03 0.08 -0.04 1.46 0.83 1o62B1 LYS 260 HD2 -0.16 0.01 -0.01 -0.04 1.69 1.49 1o62B1 LYS 260 HD3 -0.09 -0.03 0.03 -0.04 1.68 1.55 1o62B1 LYS 260 HE2 -0.01 0.04 0.04 -0.04 2.99 3.03 1o62B1 LYS 260 HE3 -0.15 0.02 -0.01 -0.04 2.99 2.81 1o62B1 GLU 261 H -0.38 0.47 -0.31 -0.55 8.60 7.84 1o62B1 GLU 261 HA -0.14 0.01 0.47 -0.75 4.29 3.87 1o62B1 GLU 261 HB2 -0.25 0.07 0.14 -0.04 2.09 2.02 1o62B1 GLU 261 HB3 -0.83 0.08 0.18 -0.04 1.99 1.37 1o62B1 GLU 261 HG2 -0.01 0.00 -0.08 -0.04 2.34 2.21 1o62B1 GLU 261 HG3 -0.06 -0.04 0.05 -0.04 2.34 2.26 1o62B1 PHE 262 H -0.37 0.55 -0.03 -0.55 8.34 7.93 1o62B1 PHE 262 HA 0.10 0.12 0.69 -0.75 4.62 4.77 1o62B1 PHE 262 HB2 0.07 0.04 0.06 -0.04 3.15 3.28 1o62B1 PHE 262 HB3 0.03 -0.04 0.08 -0.04 3.06 3.09 1o62B1 PHE 262 HD2 0.09 0.03 -0.19 -0.04 7.28 7.18 1o62B1 PHE 262 HE2 -0.07 -0.03 -0.06 -0.04 7.38 7.17 1o62B1 PHE 262 HZ -0.29 -0.07 -0.01 -0.04 7.32 6.92 1o62B1 LEU 263 H 0.09 0.65 -0.03 -0.55 8.37 8.54 1o62B1 LEU 263 HA 0.31 0.19 1.00 -0.75 4.35 5.10 1o62B1 LEU 263 HB2 0.39 0.09 -0.05 -0.04 1.64 2.04 1o62B1 LEU 263 HB3 0.30 -0.10 0.06 -0.04 1.64 1.86 1o62B1 LEU 263 HG 0.27 -0.01 -0.09 -0.04 1.64 1.77 1o62B1 LEU 263 HD13 -0.11 -0.02 -0.08 -0.04 0.93 0.68 1o62B1 LEU 263 HD23 0.12 0.03 -0.08 -0.04 0.89 0.91 1o62B1 GLY 264 H 0.04 0.41 -0.13 -0.55 8.43 8.20 1o62B1 GLY 264 HA2 0.26 0.06 0.40 -0.51 4.01 4.21 1o62B1 GLY 264 HA3 0.03 0.15 0.41 -0.51 4.01 4.09 1o62B1 GLU 265 H 0.21 0.08 -0.58 -0.55 8.60 7.76 1o62B1 GLU 265 HA 0.00 0.07 0.48 -0.75 4.29 4.08 1o62B1 GLU 265 HB2 0.08 -0.00 0.03 -0.04 2.09 2.16 1o62B1 GLU 265 HB3 0.24 0.02 0.01 -0.04 1.99 2.22 1o62B1 GLU 265 HG2 -0.73 0.01 -0.15 -0.04 2.34 1.43 1o62B1 GLU 265 HG3 -0.16 -0.03 0.06 -0.04 2.34 2.16 1o62B1 TYR 266 H 0.45 0.31 -0.00 -0.55 8.29 8.50 1o62B1 TYR 266 HA -0.02 0.18 0.99 -0.75 4.56 4.96 1o62B1 TYR 266 HB2 0.08 0.04 0.03 -0.04 3.06 3.18 1o62B1 TYR 266 HB3 -0.20 -0.08 0.11 -0.04 2.98 2.77 1o62B1 TYR 266 HD2 0.04 -0.04 -0.00 -0.04 7.15 7.11 1o62B1 TYR 266 HE2 0.03 -0.01 -0.03 -0.04 6.85 6.80 1o62B1 PHE 267 H 0.46 0.50 0.05 -0.55 8.34 8.81 1o62B1 PHE 267 HA 0.03 0.26 1.06 -0.75 4.62 5.22 1o62B1 PHE 267 HB2 0.21 0.03 -0.13 -0.04 3.15 3.22 1o62B1 PHE 267 HB3 -0.34 -0.08 -0.17 -0.04 3.06 2.43 1o62B1 PHE 267 HD2 -0.01 -0.01 -0.30 -0.04 7.28 6.92 1o62B1 PHE 267 HE2 -0.05 0.01 -0.17 -0.04 7.38 7.13 1o62B1 PHE 267 HZ -0.05 0.01 -0.13 -0.04 7.32 7.12 1o62B1 SER 268 H 0.06 0.68 0.34 -0.55 8.46 8.99 1o62B1 SER 268 HA 0.24 0.21 0.80 -0.75 4.49 4.99 1o62B1 SER 268 HB2 0.08 -0.09 0.10 -0.04 3.95 4.00 1o62B1 SER 268 HB3 0.22 -0.08 -0.06 -0.04 3.93 3.96 1o62B1 PHE 269 H 0.37 0.26 0.05 -0.55 8.34 8.47 1o62B1 PHE 269 HA 0.05 0.19 0.89 -0.75 4.62 5.00 1o62B1 PHE 269 HB2 -0.02 -0.02 0.18 -0.04 3.15 3.26 1o62B1 PHE 269 HB3 0.00 0.04 0.06 -0.04 3.06 3.12 1o62B1 PHE 269 HD2 -0.29 0.05 -0.13 -0.04 7.28 6.87 1o62B1 PHE 269 HE2 -0.08 0.04 -0.35 -0.04 7.38 6.94 1o62B1 PHE 269 HZ -0.15 0.02 -0.33 -0.04 7.32 6.82 1o62B1 LEU 270 H -0.02 0.14 -0.08 -0.55 8.37 7.86 1o62B1 LEU 270 HA 0.07 -0.06 0.38 -0.75 4.35 3.99 1o62B1 LEU 270 HB2 -0.28 -0.00 0.06 -0.04 1.64 1.38 1o62B1 LEU 270 HB3 -0.10 0.11 0.02 -0.04 1.64 1.64 1o62B1 LEU 270 HG -0.18 -0.01 -0.05 -0.04 1.64 1.36 1o62B1 LEU 270 HD13 -0.31 0.01 -0.03 -0.04 0.93 0.56 1o62B1 LEU 270 HD23 0.17 -0.02 -0.04 -0.04 0.89 0.96 1o62B1 ASP 271 H 0.06 0.02 0.18 -0.55 8.40 8.12 1o62B1 ASP 271 HA 0.08 0.09 0.42 -0.75 4.63 4.47 1o62B1 ASP 271 HB2 0.04 -0.09 0.07 -0.04 2.71 2.69 1o62B1 ASP 271 HB3 0.04 0.11 0.07 -0.04 2.70 2.87 1o62B1 GLU 272 H 0.02 0.11 0.18 -0.55 8.60 8.36 1o62B1 GLU 272 HA -0.01 0.04 0.53 -0.75 4.29 4.10 1o62B1 GLU 272 HB2 0.01 -0.09 0.06 -0.04 2.09 2.03 1o62B1 GLU 272 HB3 -0.04 0.02 0.14 -0.04 1.99 2.08 1o62B1 GLU 272 HG2 0.01 -0.05 0.14 -0.04 2.34 2.39 1o62B1 GLU 272 HG3 0.00 0.14 -0.13 -0.04 2.34 2.32 1o62B1 LEU 273 H 0.04 0.04 0.13 -0.55 8.37 8.04 1o62B1 LEU 273 HA 0.03 0.03 0.37 -0.75 4.35 4.02 1o62B1 LEU 273 HB2 0.09 -0.03 0.12 -0.04 1.64 1.78 1o62B1 LEU 273 HB3 0.05 0.11 -0.09 -0.04 1.64 1.67 1o62B1 LEU 273 HG 0.10 0.01 0.02 -0.04 1.64 1.73 1o62B1 LEU 273 HD13 0.06 0.00 -0.01 -0.04 0.93 0.94 1o62B1 LEU 273 HD23 0.20 0.01 -0.22 -0.04 0.89 0.84 1o62B1 GLU 274 H 0.01 0.06 0.16 -0.55 8.60 8.28 1o62B1 GLU 274 HA -0.01 0.10 0.47 -0.75 4.29 4.09 1o62B1 ASN 275 H -0.03 0.18 0.22 -0.55 8.53 8.34 1o62B1 ASN 275 HA -0.05 0.07 0.36 -0.75 4.76 4.39 1o62B1 ASN 275 HB2 -0.15 0.21 0.02 -0.04 2.88 2.92 1o62B1 ASN 275 HB3 -0.11 -0.07 0.24 -0.04 2.79 2.81 1o62B1 ASN 275 HD21 -0.04 0.03 -0.05 -0.04 7.03 6.93 1o62B1 ASN 275 HD22 -0.07 0.01 -0.11 -0.04 7.74 7.53 1o62B1 SER 276 H -0.04 0.45 -0.26 -0.55 8.46 8.07 1o62B1 SER 276 HA 0.00 -0.01 0.89 -0.75 4.49 4.63 1o62B1 SER 276 HB2 0.09 0.11 0.29 -0.04 3.95 4.40 1o62B1 SER 276 HB3 -0.03 -0.05 -0.07 -0.04 3.93 3.75 1o62B1 ARG 277 H 0.12 0.67 0.26 -0.55 8.46 8.96 1o62B1 ARG 277 HA 0.04 0.16 0.83 -0.75 4.34 4.62 1o62B1 ARG 277 HB2 0.04 0.04 -0.14 -0.04 1.90 1.80 1o62B1 ARG 277 HB3 0.19 -0.10 0.12 -0.04 1.80 1.98 1o62B1 ARG 277 HG2 0.07 0.15 -0.17 -0.04 1.67 1.67 1o62B1 ARG 277 HG3 0.03 0.00 -0.03 -0.04 1.67 1.63 1o62B1 ARG 277 HD2 0.33 -0.09 -0.02 -0.04 3.22 3.40 1o62B1 ARG 277 HD3 0.18 0.08 -0.21 -0.04 3.22 3.24 1o62B1 SER 278 H 0.01 0.16 0.11 -0.55 8.46 8.20 1o62B1 SER 278 HA 0.06 0.18 0.63 -0.75 4.49 4.60 1o62B1 SER 278 HB2 0.00 -0.09 0.09 -0.04 3.95 3.91 1o62B1 SER 278 HB3 -0.07 0.08 0.12 -0.04 3.93 4.02 1o62B1 ASN 279 H 0.10 0.19 0.12 -0.55 8.53 8.40 1o62B1 ASN 279 HA 0.15 0.19 0.38 -0.75 4.76 4.72 1o62B1 ASN 279 HB2 0.33 0.05 0.03 -0.04 2.88 3.24 1o62B1 ASN 279 HB3 0.14 -0.01 -0.41 -0.04 2.79 2.47 1o62B1 ASN 279 HD21 -0.07 0.36 0.01 -0.04 7.03 7.29 1o62B1 ASN 279 HD22 -0.10 0.52 -0.21 -0.04 7.74 7.91 1o62B1 ARG 280 H 0.06 -0.08 -0.50 -0.55 8.46 7.40 1o62B1 ARG 280 HA 0.02 0.09 0.22 -0.75 4.34 3.91 1o62B1 ARG 280 HB2 -0.03 0.13 -0.41 -0.04 1.90 1.55 1o62B1 ARG 280 HB3 -0.05 0.00 -0.00 -0.04 1.80 1.70 1o62B1 ARG 280 HG2 -0.18 0.09 -0.23 -0.04 1.67 1.31 1o62B1 ARG 280 HG3 -0.41 0.01 -0.07 -0.04 1.67 1.16 1o62B1 ARG 280 HD2 -1.09 0.02 0.01 -0.04 3.22 2.12 1o62B1 ARG 280 HD3 -0.28 -0.03 -0.00 -0.04 3.22 2.86 1o62B1 TRP 281 H 0.38 0.01 -0.40 -0.55 7.97 7.41 1o62B1 TRP 281 HA 0.04 0.12 0.25 -0.75 4.62 4.29 1o62B1 TRP 281 HB2 0.05 0.08 0.02 -0.04 3.23 3.33 1o62B1 TRP 281 HB3 0.09 -0.12 -0.07 -0.04 3.23 3.08 1o62B1 TRP 281 HD1 0.06 -0.10 -0.09 -0.04 7.22 7.04 1o62B1 TRP 281 HE1 0.03 -0.08 -0.04 -0.04 10.20 10.07 1o62B1 TRP 281 HE3 0.01 0.06 -0.04 -0.04 7.59 7.57 1o62B1 TRP 281 HZ2 0.02 -0.03 0.01 -0.04 7.44 7.40 1o62B1 TRP 281 HZ3 -0.01 0.00 -0.02 -0.04 7.13 7.06 1o62B1 TRP 281 HH2 0.00 -0.02 0.02 -0.04 7.19 7.15 1o62B1 LEU 282 H 0.25 0.15 -0.36 -0.55 8.37 7.87 1o62B1 LEU 282 HA 0.03 0.20 0.79 -0.75 4.35 4.61 1o62B1 LEU 282 HB2 0.34 -0.15 0.02 -0.04 1.64 1.81 1o62B1 LEU 282 HB3 0.03 0.08 -0.09 -0.04 1.64 1.62 1o62B1 LEU 282 HG 0.29 -0.05 -0.31 -0.04 1.64 1.53 1o62B1 LEU 282 HD13 0.24 -0.04 -0.08 -0.04 0.93 1.01 1o62B1 LEU 282 HD23 0.03 0.05 0.02 -0.04 0.89 0.96 1o62B1 SER 283 H 0.04 0.24 0.04 -0.55 8.46 8.23 1o62B1 SER 283 HA 0.26 0.08 0.68 -0.75 4.49 4.75 1o62B1 SER 283 HB2 0.08 0.04 0.04 -0.04 3.95 4.07 1o62B1 SER 283 HB3 0.14 0.02 -0.04 -0.04 3.93 4.01 1o62B1 THR 284 H 0.13 0.23 0.25 -0.55 8.28 8.34 1o62B1 THR 284 HA -0.26 0.33 1.10 -0.75 4.39 4.81 1o62B1 THR 284 HB -0.33 0.01 0.05 -0.04 4.32 4.00 1o62B1 THR 284 HG23 -0.88 0.01 -0.25 -0.04 1.22 0.06 1o62B1 ALA 285 H -0.28 0.46 0.35 -0.55 8.40 8.39 1o62B1 ALA 285 HA -0.48 0.21 0.77 -0.75 4.34 4.09 1o62B1 ALA 285 HB3 -0.90 0.01 -0.18 -0.04 1.41 0.29 1o62B1 LEU 286 H -0.19 0.50 0.31 -0.55 8.37 8.44 1o62B1 LEU 286 HA -0.05 0.40 1.02 -0.75 4.35 4.96 1o62B1 LEU 286 HB2 -0.22 -0.10 0.10 -0.04 1.64 1.38 1o62B1 LEU 286 HB3 -0.15 0.07 -0.05 -0.04 1.64 1.47 1o62B1 LEU 286 HG -0.25 -0.04 -0.24 -0.04 1.64 1.06 1o62B1 LEU 286 HD13 -0.87 -0.03 -0.11 -0.04 0.93 -0.12 1o62B1 LEU 286 HD23 -0.10 0.02 -0.17 -0.04 0.89 0.59 1o62B1 ILE 287 H -0.07 0.64 0.32 -0.55 8.25 8.58 1o62B1 ILE 287 HA -0.49 0.25 0.86 -0.75 4.18 4.03 1o62B1 ILE 287 HB -0.32 0.01 0.02 -0.04 1.89 1.56 1o62B1 ILE 287 HG12 -0.38 -0.01 0.00 -0.04 1.49 1.07 1o62B1 ILE 287 HG13 -0.78 0.12 0.10 -0.04 1.21 0.61 1o62B1 ILE 287 HG23 -0.40 0.02 0.01 -0.04 0.93 0.51 1o62B1 ILE 287 HD13 -0.23 -0.02 -0.05 -0.04 0.88 0.53 1o62B1 ASN 288 H -0.22 0.36 0.25 -0.55 8.53 8.37 1o62B1 ASN 288 HA -0.05 0.07 0.36 -0.75 4.76 4.39 1o62B1 ASN 288 HB2 -0.14 0.02 -0.02 -0.04 2.88 2.69 1o62B1 ASN 288 HB3 -0.00 -0.02 0.19 -0.04 2.79 2.92 1o62B1 ASN 288 HD21 -0.03 0.04 0.10 -0.04 7.03 7.10 1o62B1 ASN 288 HD22 -0.09 0.07 0.24 -0.04 7.74 7.92 1o62B1 PHE 289 H 0.12 0.18 -0.24 -0.55 8.34 7.84 1o62B1 PHE 289 HA 0.01 0.18 0.93 -0.75 4.62 4.99 1o62B1 PHE 289 HB2 0.03 0.14 -0.22 -0.04 3.15 3.06 1o62B1 PHE 289 HB3 0.02 -0.01 -0.17 -0.04 3.06 2.86 1o62B1 PHE 289 HD2 0.09 0.05 -0.23 -0.04 7.28 7.15 1o62B1 PHE 289 HE2 0.15 -0.05 -0.20 -0.04 7.38 7.24 1o62B1 PHE 289 HZ 0.24 -0.07 -0.16 -0.04 7.32 7.29 1o62B1 ASP 290 H -0.92 0.27 0.14 -0.55 8.40 7.34 1o62B1 ASP 290 HA -0.25 0.20 0.74 -0.75 4.63 4.57 1o62B1 ASP 290 HB2 -0.14 0.16 -0.16 -0.04 2.71 2.53 1o62B1 ASP 290 HB3 -0.23 -0.02 0.03 -0.04 2.70 2.44 1o62B1 LYS 291 H -0.14 0.25 0.11 -0.55 8.42 8.09 1o62B1 LYS 291 HA -0.04 0.03 0.33 -0.75 4.32 3.89 1o62B1 ASN 292 H -0.16 0.03 -0.55 -0.55 8.53 7.31 1o62B1 ASN 292 HA -0.05 0.11 0.39 -0.75 4.76 4.46 1o62B1 ASN 292 HB2 -0.05 0.06 0.08 -0.04 2.88 2.93 1o62B1 ASN 292 HB3 -0.05 -0.02 0.05 -0.04 2.79 2.72 1o62B1 ASN 292 HD21 -0.08 0.05 -0.04 -0.04 7.03 6.92 1o62B1 ASN 292 HD22 -0.06 -0.00 -0.02 -0.04 7.74 7.62 1o62B1 GLU 293 H -0.25 0.49 -0.22 -0.55 8.60 8.08 1o62B1 GLU 293 HA -0.04 0.23 0.76 -0.75 4.29 4.48 1o62B1 GLU 293 HB2 -0.00 -0.05 0.14 -0.04 2.09 2.14 1o62B1 GLU 293 HB3 -0.06 0.02 0.06 -0.04 1.99 1.97 1o62B1 GLU 293 HG2 -0.44 0.35 0.20 -0.04 2.34 2.42 1o62B1 GLU 293 HG3 -0.12 -0.07 -0.03 -0.04 2.34 2.08 1o62B1 LEU 294 H -0.02 0.37 -0.34 -0.55 8.37 7.84 1o62B1 LEU 294 HA 0.04 -0.06 0.44 -0.75 4.35 4.02 1o62B1 LEU 294 HB2 0.09 0.42 0.18 -0.04 1.64 2.29 1o62B1 LEU 294 HB3 0.07 -0.03 -0.07 -0.04 1.64 1.57 1o62B1 LEU 294 HG 0.15 -0.13 -0.02 -0.04 1.64 1.60 1o62B1 LEU 294 HD13 0.43 0.00 -0.09 -0.04 0.93 1.23 1o62B1 LEU 294 HD23 0.26 -0.01 0.03 -0.04 0.89 1.13 1o62B1 ASN 295 H -0.02 -0.03 0.12 -0.55 8.53 8.05 1o62B1 ASN 295 HA -0.01 -0.02 0.36 -0.75 4.76 4.34 1o62B1 ASN 295 HB2 0.01 0.26 0.01 -0.04 2.88 3.12 1o62B1 ASN 295 HB3 0.01 -0.02 0.17 -0.04 2.79 2.91 1o62B1 ASN 295 HD21 0.05 -0.10 -0.06 -0.04 7.03 6.88 1o62B1 ASN 295 HD22 0.03 0.16 -0.15 -0.04 7.74 7.74 1o62B1 ALA 296 H -0.02 0.03 -0.18 -0.55 8.40 7.69 1o62B1 ALA 296 HA -0.01 0.18 0.51 -0.75 4.34 4.27 1o62B1 ALA 296 HB3 -0.01 0.01 0.02 -0.04 1.41 1.39 1o62B1 CYS 297 H -0.02 0.24 -0.13 -0.55 8.50 8.05 1o62B1 CYS 297 HA -0.01 0.27 0.93 -0.75 4.58 5.02 1o62B1 CYS 297 HB2 -0.01 0.05 -0.15 -0.04 2.97 2.82 1o62B1 CYS 297 HB3 -0.01 -0.19 -0.01 -0.04 2.97 2.71 1o62B1 GLN 298 H -0.01 0.27 -0.03 -0.55 8.47 8.15 1o62B1 GLN 298 HA -0.01 0.19 0.92 -0.75 4.36 4.70 1o62B1 GLN 298 HB2 0.00 0.04 0.12 -0.04 2.15 2.28 1o62B1 GLN 298 HB3 0.01 0.01 0.01 -0.04 2.02 2.00 1o62B1 GLN 298 HG2 0.00 -0.09 0.05 -0.04 2.40 2.32 1o62B1 GLN 298 HG3 -0.00 0.08 -0.14 -0.04 2.39 2.28 1o62B1 GLN 298 HE21 0.01 -0.01 -0.02 -0.04 6.97 6.91 1o62B1 GLN 298 HE22 0.02 -0.10 -0.03 -0.04 7.69 7.54 1o62B1 LYS 299 H -0.02 0.59 0.37 -0.55 8.42 8.80 1o62B1 LYS 299 HA -0.03 0.07 0.43 -0.75 4.32 4.04 1o62B1 LYS 299 HB2 -0.04 0.04 0.13 -0.04 1.87 1.95 1o62B1 LYS 299 HB3 -0.03 0.23 -0.13 -0.04 1.79 1.83 1o62B1 LYS 299 HG2 -0.04 -0.05 -0.42 -0.04 1.46 0.91 1o62B1 LYS 299 HG3 -0.06 -0.06 -0.44 -0.04 1.46 0.85 1o62B1 LYS 299 HD2 -0.03 0.08 -0.14 -0.04 1.69 1.56 1o62B1 LYS 299 HD3 -0.02 0.03 -0.18 -0.04 1.68 1.46 1o62B1 LYS 299 HE2 -0.03 -0.05 -0.21 -0.04 2.99 2.67 1o62B1 LYS 299 HE3 -0.01 0.04 -0.13 -0.04 2.99 2.85 1o62B1 ASP 300 H -0.11 0.30 0.24 -0.55 8.40 8.28 1o62B1 ASP 300 HA -0.26 0.21 1.14 -0.75 4.63 4.97 1o62B1 ASP 300 HB2 -0.72 0.07 0.07 -0.04 2.71 2.09 1o62B1 ASP 300 HB3 -0.76 -0.09 0.05 -0.04 2.70 1.86 1o62B1 ILE 301 H -0.17 0.44 0.35 -0.55 8.25 8.33 1o62B1 ILE 301 HA -0.07 0.24 0.98 -0.75 4.18 4.58 1o62B1 ILE 301 HB -0.01 0.07 -0.04 -0.04 1.89 1.87 1o62B1 ILE 301 HG12 -0.05 -0.06 -0.03 -0.04 1.49 1.30 1o62B1 ILE 301 HG13 0.01 0.02 -0.53 -0.04 1.21 0.66 1o62B1 ILE 301 HG23 -0.04 -0.01 -0.32 -0.04 0.93 0.52 1o62B1 ILE 301 HD13 0.08 0.01 -0.13 -0.04 0.88 0.80 1o62B1 ASN 302 H -0.02 0.21 0.09 -0.55 8.53 8.27 1o62B1 ASN 302 HA 0.01 0.24 0.64 -0.75 4.76 4.90 1o62B1 ASN 302 HB2 0.00 -0.06 0.19 -0.04 2.88 2.97 1o62B1 ASN 302 HB3 0.01 0.07 0.08 -0.04 2.79 2.91 1o62B1 ASN 302 HD21 -0.01 0.00 -0.00 -0.04 7.03 6.98 1o62B1 ASN 302 HD22 -0.00 -0.02 0.03 -0.04 7.74 7.71 1o62B1 ILE 303 H 0.06 0.85 -0.00 -0.55 8.25 8.61 1o62B1 ILE 303 HA 0.06 -0.04 0.26 -0.75 4.18 3.71 1o62B1 ILE 303 HB 0.13 0.14 0.05 -0.04 1.89 2.17 1o62B1 ILE 303 HG12 0.13 -0.08 -0.05 -0.04 1.49 1.45 1o62B1 ILE 303 HG13 0.11 0.11 -0.10 -0.04 1.21 1.29 1o62B1 ILE 303 HG23 0.08 -0.01 -0.54 -0.04 0.93 0.42 1o62B1 ILE 303 HD13 0.24 -0.05 -0.26 -0.04 0.88 0.77 1o62B1 SER 304 H 0.04 0.32 0.12 -0.55 8.46 8.39 1o62B1 SER 304 HA 0.02 0.05 0.67 -0.75 4.49 4.48 1o62B1 SER 304 HB2 0.01 0.08 -0.06 -0.04 3.95 3.95 1o62B1 SER 304 HB3 0.01 -0.02 0.01 -0.04 3.93 3.89 1o62B1 GLN 305 H -0.00 0.08 0.01 -0.55 8.47 8.01 1o62B1 GLN 305 HA -0.03 0.09 -0.04 -0.75 4.36 3.63 1o62B1 GLN 305 HB2 -0.02 -0.06 0.07 -0.04 2.15 2.10 1o62B1 GLN 305 HB3 -0.01 0.01 0.01 -0.04 2.02 1.99 1o62B1 GLN 305 HG2 -0.03 0.02 0.11 -0.04 2.40 2.45 1o62B1 GLN 305 HG3 -0.02 -0.05 0.02 -0.04 2.39 2.30 1o62B1 GLN 305 HE21 -0.02 -0.06 -0.33 -0.04 6.97 6.51 1o62B1 GLN 305 HE22 -0.04 0.01 -0.05 -0.04 7.69 7.57 1o62B1 LYS 306 H -0.06 0.57 0.25 -0.55 8.42 8.63 1o62B1 LYS 306 HA -0.02 0.10 0.79 -0.75 4.32 4.44 1o62B1 LYS 306 HB2 -0.02 0.15 -0.17 -0.04 1.87 1.79 1o62B1 LYS 306 HB3 -0.08 -0.10 0.07 -0.04 1.79 1.64 1o62B1 LYS 306 HG2 -0.02 0.09 -0.29 -0.04 1.46 1.20 1o62B1 LYS 306 HG3 -0.00 0.02 0.00 -0.04 1.46 1.44 1o62B1 LYS 306 HD2 0.02 0.03 -0.09 -0.04 1.69 1.61 1o62B1 LYS 306 HD3 -0.02 -0.11 -0.14 -0.04 1.68 1.38 1o62B1 LYS 306 HE2 0.04 -0.09 -0.08 -0.04 2.99 2.82 1o62B1 LYS 306 HE3 0.02 0.04 -0.07 -0.04 2.99 2.94 1o62B1 ASN 307 H -0.01 0.17 0.10 -0.55 8.53 8.25 1o62B1 ASN 307 HA -0.02 0.11 0.73 -0.75 4.76 4.84 1o62B1 ASN 307 HB2 0.01 0.00 0.10 -0.04 2.88 2.95 1o62B1 ASN 307 HB3 0.02 0.03 -0.03 -0.04 2.79 2.77 1o62B1 ASN 307 HD21 0.00 0.01 -0.04 -0.04 7.03 6.96 1o62B1 ASN 307 HD22 0.01 0.01 -0.00 -0.04 7.74 7.72 1o62B1 ILE 308 H 0.03 0.22 0.12 -0.55 8.25 8.08 1o62B1 ILE 308 HA 0.07 0.17 0.92 -0.75 4.18 4.60 1o62B1 ILE 308 HB 0.15 -0.02 0.06 -0.04 1.89 2.04 1o62B1 ILE 308 HG12 0.01 0.06 -0.21 -0.04 1.49 1.30 1o62B1 ILE 308 HG13 -0.10 0.06 -0.34 -0.04 1.21 0.79 1o62B1 ILE 308 HG23 0.26 0.04 -0.15 -0.04 0.93 1.03 1o62B1 ILE 308 HD13 -0.13 -0.02 -0.06 -0.04 0.88 0.63 1o62B1 THR 309 H 0.08 0.15 0.07 -0.55 8.28 8.03 1o62B1 THR 309 HA 0.09 0.05 0.57 -0.75 4.39 4.34 1o62B1 THR 309 HB 0.04 -0.01 0.08 -0.04 4.32 4.39 1o62B1 THR 309 HG23 0.02 0.09 -0.04 -0.04 1.22 1.24 1o62B1 LEU 310 H 0.05 0.07 0.18 -0.55 8.37 8.12 1o62B1 LEU 310 HA -0.04 0.09 0.55 -0.75 4.35 4.20 1o62B1 LEU 310 HB2 -0.02 -0.08 0.10 -0.04 1.64 1.60 1o62B1 LEU 310 HB3 -0.06 0.05 0.10 -0.04 1.64 1.69 1o62B1 LEU 310 HG -0.06 -0.02 0.10 -0.04 1.64 1.62 1o62B1 LEU 310 HD13 -0.09 -0.01 0.01 -0.04 0.93 0.80 1o62B1 LEU 310 HD23 -0.60 -0.00 0.06 -0.04 0.89 0.31 1o62B1 HIS 311 H 0.09 0.77 0.41 -0.55 8.41 9.13 1o62B1 HIS 311 HA 0.00 0.09 0.47 -0.75 4.63 4.45 1o62B1 HIS 311 HB2 0.00 0.08 0.08 -0.04 3.26 3.39 1o62B1 HIS 311 HB3 -0.02 -0.08 0.25 -0.04 3.20 3.31 1o62B1 HIS 311 HD2 0.02 0.03 0.02 -0.04 6.97 7.00 1o62B1 HIS 311 HE1 -0.01 0.04 0.02 -0.04 7.75 7.75 1o62B1 PRO 312 HA -0.02 0.07 0.39 -0.51 4.44 4.37 1o62B1 PRO 312 HB2 -0.08 0.01 0.10 -0.04 2.28 2.26 1o62B1 PRO 312 HB3 -0.05 0.05 0.09 -0.04 2.02 2.07 1o62B1 PRO 312 HG2 -0.19 0.05 0.11 -0.04 2.03 1.95 1o62B1 PRO 312 HG3 -0.11 0.07 0.13 -0.04 2.03 2.08 1o62B1 PRO 312 HD2 -1.03 0.08 0.21 -0.04 3.68 2.90 1o62B1 PRO 312 HD3 -0.29 0.19 0.27 -0.04 3.65 3.78 1o62B1 LYS 313 H 0.45 0.12 -0.23 -0.55 8.42 8.20 1o62B1 LYS 313 HA 0.07 0.12 0.44 -0.75 4.32 4.20 1o62B1 LYS 313 HB2 0.12 -0.01 0.02 -0.04 1.87 1.96 1o62B1 LYS 313 HB3 0.03 0.05 0.01 -0.04 1.79 1.84 1o62B1 LYS 313 HG2 0.06 0.08 0.03 -0.04 1.46 1.60 1o62B1 LYS 313 HG3 0.18 -0.07 0.03 -0.04 1.46 1.56 1o62B1 LYS 313 HD2 0.06 -0.04 0.02 -0.04 1.69 1.70 1o62B1 LYS 313 HD3 -0.02 0.04 0.04 -0.04 1.68 1.71 1o62B1 LYS 313 HE2 0.04 0.11 0.06 -0.04 2.99 3.15 1o62B1 LYS 313 HE3 0.10 -0.05 0.03 -0.04 2.99 3.03 1o62B1 ILE 314 H 0.14 0.34 -0.21 -0.55 8.25 7.97 1o62B1 ILE 314 HA 0.03 0.08 0.48 -0.75 4.18 4.02 1o62B1 ILE 314 HB 0.01 0.07 0.16 -0.04 1.89 2.09 1o62B1 ILE 314 HG12 -0.02 -0.12 0.05 -0.04 1.49 1.36 1o62B1 ILE 314 HG13 -0.04 0.06 -0.13 -0.04 1.21 1.06 1o62B1 ILE 314 HG23 -0.08 0.02 -0.13 -0.04 0.93 0.69 1o62B1 ILE 314 HD13 0.03 0.01 -0.20 -0.04 0.88 0.67 1o62B1 SER 315 H 0.02 0.46 -0.09 -0.55 8.46 8.30 1o62B1 SER 315 HA -0.02 0.03 0.40 -0.75 4.49 4.15 1o62B1 SER 315 HB2 -0.00 -0.02 0.02 -0.04 3.95 3.90 1o62B1 SER 315 HB3 -0.01 -0.04 0.05 -0.04 3.93 3.90 1o62B1 LYS 316 H 0.02 0.40 -0.33 -0.55 8.42 7.96 1o62B1 LYS 316 HA 0.00 0.02 0.46 -0.75 4.32 4.05 1o62B1 LYS 316 HB2 0.01 0.03 0.09 -0.04 1.87 1.96 1o62B1 LYS 316 HB3 0.02 0.07 0.09 -0.04 1.79 1.93 1o62B1 LYS 316 HG2 0.00 -0.03 -0.19 -0.04 1.46 1.21 1o62B1 LYS 316 HG3 0.00 -0.06 0.03 -0.04 1.46 1.39 1o62B1 LYS 316 HD2 0.01 -0.06 -0.01 -0.04 1.69 1.58 1o62B1 LYS 316 HD3 0.01 0.07 -0.04 -0.04 1.68 1.68 1o62B1 LYS 316 HE2 -0.00 0.01 0.04 -0.04 2.99 2.99 1o62B1 LYS 316 HE3 -0.00 -0.09 0.01 -0.04 2.99 2.87 1o62B1 LEU 317 H 0.02 0.49 -0.23 -0.55 8.37 8.10 1o62B1 LEU 317 HA 0.01 0.00 0.39 -0.75 4.35 4.00 1o62B1 LEU 317 HB2 0.06 0.17 0.17 -0.04 1.64 1.99 1o62B1 LEU 317 HB3 0.02 0.09 0.18 -0.04 1.64 1.88 1o62B1 LEU 317 HG 0.02 -0.03 0.03 -0.04 1.64 1.62 1o62B1 LEU 317 HD13 0.11 -0.01 -0.08 -0.04 0.93 0.91 1o62B1 LEU 317 HD23 -0.05 -0.02 -0.31 -0.04 0.89 0.47 1o62B1 ILE 318 H -0.02 0.58 -0.20 -0.55 8.25 8.06 1o62B1 ILE 318 HA -0.04 0.01 0.35 -0.75 4.18 3.74 1o62B1 ILE 318 HB -0.03 0.10 0.11 -0.04 1.89 2.03 1o62B1 ILE 318 HG12 -0.06 -0.07 -0.15 -0.04 1.49 1.17 1o62B1 ILE 318 HG13 -0.05 0.22 0.02 -0.04 1.21 1.36 1o62B1 ILE 318 HG23 -0.04 -0.01 -0.09 -0.04 0.93 0.76 1o62B1 ILE 318 HD13 -0.08 -0.03 -0.13 -0.04 0.88 0.61 1o62B1 GLU 319 H -0.01 0.41 -0.25 -0.55 8.60 8.20 1o62B1 GLU 319 HA -0.01 -0.00 0.45 -0.75 4.29 3.97 1o62B1 GLU 319 HB2 -0.01 0.01 0.13 -0.04 2.09 2.18 1o62B1 GLU 319 HB3 -0.01 0.11 0.20 -0.04 1.99 2.25 1o62B1 GLU 319 HG2 -0.01 0.01 -0.21 -0.04 2.34 2.09 1o62B1 GLU 319 HG3 -0.01 -0.05 0.03 -0.04 2.34 2.27 1o62B1 ASP 320 H -0.01 0.72 -0.01 -0.55 8.40 8.55 1o62B1 ASP 320 HA -0.01 -0.00 0.42 -0.75 4.63 4.29 1o62B1 ASP 320 HB2 -0.01 0.08 0.16 -0.04 2.71 2.89 1o62B1 ASP 320 HB3 -0.01 -0.03 -0.00 -0.04 2.70 2.61 1o62B1 LEU 321 H -0.02 0.60 -0.11 -0.55 8.37 8.29 1o62B1 LEU 321 HA -0.02 -0.00 0.43 -0.75 4.35 4.00 1o62B1 LEU 321 HB2 -0.03 0.11 0.12 -0.04 1.64 1.80 1o62B1 LEU 321 HB3 -0.02 0.00 -0.00 -0.04 1.64 1.58 1o62B1 LEU 321 HG -0.02 0.08 0.02 -0.04 1.64 1.68 1o62B1 LEU 321 HD13 -0.04 -0.02 -0.11 -0.04 0.93 0.71 1o62B1 LEU 321 HD23 -0.02 -0.02 -0.05 -0.04 0.89 0.76 1o62B1 LYS 322 H -0.02 0.49 -0.20 -0.55 8.42 8.14 1o62B1 LYS 322 HA -0.01 -0.00 0.38 -0.75 4.32 3.93 1o62B1 LYS 322 HB2 -0.01 0.16 0.22 -0.04 1.87 2.20 1o62B1 LYS 322 HB3 -0.01 -0.10 0.01 -0.04 1.79 1.65 1o62B1 LYS 322 HG2 -0.02 -0.11 0.04 -0.04 1.46 1.34 1o62B1 LYS 322 HG3 -0.02 0.24 0.15 -0.04 1.46 1.80 1o62B1 LYS 322 HD2 -0.01 -0.00 -0.04 -0.04 1.69 1.59 1o62B1 LYS 322 HD3 -0.01 -0.07 0.01 -0.04 1.68 1.57 1o62B1 LYS 322 HE2 -0.02 -0.06 0.04 -0.04 2.99 2.91 1o62B1 LYS 322 HE3 -0.03 0.07 0.04 -0.04 2.99 3.03 1o62B1 ASN 323 H -0.01 0.49 -0.27 -0.55 8.53 8.19 1o62B1 ASN 323 HA -0.01 -0.00 0.48 -0.75 4.76 4.47 1o62B1 ASN 323 HB2 -0.01 0.22 0.17 -0.04 2.88 3.22 1o62B1 ASN 323 HB3 -0.01 -0.08 0.09 -0.04 2.79 2.75 1o62B1 ASN 323 HD21 -0.01 -0.09 -0.05 -0.04 7.03 6.84 1o62B1 ASN 323 HD22 -0.01 -0.01 0.00 -0.04 7.74 7.68 1o62B1 LYS 324 H -0.01 0.33 -0.53 -0.55 8.42 7.66 1o62B1 LYS 324 HA -0.01 0.10 0.71 -0.75 4.32 4.37 1o62B1 LYS 324 HB2 -0.01 0.09 0.17 -0.04 1.87 2.08 1o62B1 LYS 324 HB3 -0.01 -0.08 0.17 -0.04 1.79 1.82 1o62B1 LYS 324 HG2 -0.01 0.04 -0.07 -0.04 1.46 1.37 1o62B1 LYS 324 HG3 -0.02 -0.05 0.01 -0.04 1.46 1.36 1o62B1 LYS 324 HD2 -0.02 -0.04 0.06 -0.04 1.69 1.65 1o62B1 LYS 324 HD3 -0.01 0.07 0.03 -0.04 1.68 1.73 1o62B1 LYS 324 HE2 -0.02 0.01 -0.02 -0.04 2.99 2.92 1o62B1 LYS 324 HE3 -0.02 -0.02 -0.00 -0.04 2.99 2.90 1o62B1 GLN 325 H -0.01 0.46 -0.55 -0.55 8.47 7.83 1o62B1 GLN 325 HA -0.01 0.04 0.30 -0.75 4.36 3.93 1o62B1 GLN 325 HB2 -0.01 0.10 0.19 -0.04 2.15 2.39 1o62B1 GLN 325 HB3 -0.00 -0.11 0.16 -0.04 2.02 2.03 1o62B1 GLN 325 HG2 -0.01 0.03 -0.59 -0.04 2.40 1.79 1o62B1 GLN 325 HG3 -0.00 -0.08 -0.08 -0.04 2.39 2.18 1o62B1 GLN 325 HE21 -0.01 -0.05 0.03 -0.04 6.97 6.90 1o62B1 GLN 325 HE22 -0.01 0.07 -0.03 -0.04 7.69 7.69 1o62B1 ILE 326 H -0.01 0.70 -0.19 -0.55 8.25 8.19 1o62B1 ILE 326 HA -0.00 0.08 0.89 -0.75 4.18 4.39 1o62B1 ILE 326 HB -0.01 0.00 0.06 -0.04 1.89 1.89 1o62B1 ILE 326 HG12 -0.00 -0.04 -0.08 -0.04 1.49 1.33 1o62B1 ILE 326 HG13 -0.01 0.25 -0.31 -0.04 1.21 1.10 1o62B1 ILE 326 HG23 0.00 -0.02 -0.16 -0.04 0.93 0.71 1o62B1 ILE 326 HD13 -0.01 -0.03 -0.01 -0.04 0.88 0.79 1o62B1 GLU 327 H -0.01 0.11 0.07 -0.55 8.60 8.23 1o62B1 GLU 327 HA -0.03 0.16 0.71 -0.75 4.29 4.38 1o62B1 GLU 327 HB2 -0.02 -0.07 0.10 -0.04 2.09 2.07 1o62B1 GLU 327 HB3 -0.03 0.02 -0.04 -0.04 1.99 1.90 1o62B1 THR 328 H -0.05 0.34 0.29 -0.55 8.28 8.31 1o62B1 THR 328 HA -0.08 0.20 0.72 -0.75 4.39 4.47 1o62B1 THR 328 HB -0.11 0.11 0.12 -0.04 4.32 4.40 1o62B1 THR 328 HG23 -0.07 -0.01 -0.21 -0.04 1.22 0.89 1o62B1 ARG 329 H -0.13 0.40 0.29 -0.55 8.46 8.46 1o62B1 ARG 329 HA -0.09 0.18 0.82 -0.75 4.34 4.50 1o62B1 ARG 329 HB2 -0.18 -0.05 -0.04 -0.04 1.90 1.59 1o62B1 ARG 329 HB3 -0.15 0.06 0.10 -0.04 1.80 1.77 1o62B1 ARG 329 HG2 -0.08 0.04 -0.05 -0.04 1.67 1.53 1o62B1 ARG 329 HG3 -0.09 -0.06 -0.67 -0.04 1.67 0.81 1o62B1 ARG 329 HD2 -0.18 -0.02 -0.12 -0.04 3.22 2.86 1o62B1 ARG 329 HD3 -0.14 -0.03 -0.08 -0.04 3.22 2.94 1o62B1 PRO 330 HA -0.19 0.19 0.50 -0.51 4.44 4.43 1o62B1 PRO 330 HB2 -0.01 0.08 -0.00 -0.04 2.28 2.30 1o62B1 PRO 330 HB3 -0.39 0.09 0.14 -0.04 2.02 1.82 1o62B1 PRO 330 HG2 -0.02 0.01 0.07 -0.04 2.03 2.05 1o62B1 PRO 330 HG3 -0.11 0.06 0.06 -0.04 2.03 1.99 1o62B1 PRO 330 HD2 -0.08 0.06 0.18 -0.04 3.68 3.80 1o62B1 PRO 330 HD3 -0.08 0.14 0.23 -0.04 3.65 3.90 1o62B1 LEU 331 H -0.11 0.21 0.06 -0.55 8.37 7.98 1o62B1 LEU 331 HA -0.10 0.05 0.42 -0.75 4.35 3.97 1o62B1 LEU 331 HB2 0.33 0.07 -0.08 -0.04 1.64 1.92 1o62B1 LEU 331 HB3 0.35 -0.14 0.01 -0.04 1.64 1.82 1o62B1 LEU 331 HG -0.06 0.05 -0.16 -0.04 1.64 1.43 1o62B1 LEU 331 HD13 -0.00 0.00 -0.12 -0.04 0.93 0.77 1o62B1 LEU 331 HD23 -0.31 0.01 -0.28 -0.04 0.89 0.27 1o62B1 TRP 332 H -0.02 0.01 0.00 -0.55 7.97 7.41 1o62B1 TRP 332 HA 0.09 0.07 0.28 -0.75 4.62 4.31 1o62B1 TRP 332 HB2 -0.50 -0.09 -0.11 -0.04 3.23 2.49 1o62B1 TRP 332 HB3 -0.08 0.20 -0.15 -0.04 3.23 3.16 1o62B1 TRP 332 HD1 -0.87 0.01 -0.09 -0.04 7.22 6.22 1o62B1 TRP 332 HE1 -0.61 -0.04 -0.07 -0.04 10.20 9.44 1o62B1 TRP 332 HE3 0.07 0.07 -0.01 -0.04 7.59 7.68 1o62B1 TRP 332 HZ2 -0.27 -0.01 -0.07 -0.04 7.44 7.04 1o62B1 TRP 332 HZ3 -0.16 0.02 0.00 -0.04 7.13 6.95 1o62B1 TRP 332 HH2 -1.07 0.02 -0.05 -0.04 7.19 6.06 1o62B1 LYS 333 H 0.33 0.14 0.10 -0.55 8.42 8.43 1o62B1 LYS 333 HA -0.18 0.12 0.76 -0.75 4.32 4.27 1o62B1 LYS 333 HB2 -0.23 0.09 0.06 -0.04 1.87 1.74 1o62B1 LYS 333 HB3 -0.02 -0.06 0.16 -0.04 1.79 1.83 1o62B1 LYS 333 HG2 -0.26 0.05 -0.20 -0.04 1.46 1.00 1o62B1 LYS 333 HG3 -0.77 -0.01 -0.01 -0.04 1.46 0.63 1o62B1 LYS 333 HD2 -0.31 0.02 0.03 -0.04 1.69 1.39 1o62B1 LYS 333 HD3 -0.13 -0.06 -0.00 -0.04 1.68 1.45 1o62B1 LYS 333 HE2 -0.32 -0.04 0.07 -0.04 2.99 2.65 1o62B1 LYS 333 HE3 -0.12 -0.06 0.08 -0.04 2.99 2.85 1o62B1 ALA 334 H 0.10 0.16 -0.03 -0.55 8.40 8.08 1o62B1 ALA 334 HA 0.13 0.14 0.28 -0.75 4.34 4.14 1o62B1 ALA 334 HB3 0.01 -0.04 -0.14 -0.04 1.41 1.20 1o62B1 MET 335 H -0.12 0.60 0.26 -0.55 8.47 8.66 1o62B1 MET 335 HA -0.15 0.10 0.41 -0.75 4.52 4.13 1o62B1 MET 335 HB2 -1.03 -0.06 0.10 -0.04 2.15 1.11 1o62B1 MET 335 HB3 -1.40 0.05 -0.01 -0.04 2.03 0.62 1o62B1 MET 335 HG2 -0.18 0.12 0.04 -0.04 2.63 2.57 1o62B1 MET 335 HG3 -0.28 0.04 -0.06 -0.04 2.56 2.21 1o62B1 MET 335 HE3 0.01 0.03 -0.10 -0.04 2.10 2.01 1o62B1 HIS 336 H -0.14 -0.03 -0.32 -0.55 8.41 7.38 1o62B1 HIS 336 HA -0.17 0.22 0.33 -0.75 4.63 4.25 1o62B1 HIS 336 HB2 -0.02 0.10 -0.00 -0.04 3.26 3.29 1o62B1 HIS 336 HB3 -0.06 -0.08 -0.07 -0.04 3.20 2.96 1o62B1 HIS 336 HD2 -0.03 0.12 -0.22 -0.04 6.97 6.80 1o62B1 HIS 336 HE1 -0.02 -0.19 -0.14 -0.04 7.75 7.35 1o62B1 THR 337 H -0.30 0.33 -0.75 -0.55 8.28 7.00 1o62B1 THR 337 HA -0.13 0.36 0.84 -0.75 4.39 4.71 1o62B1 THR 337 HB -0.18 0.09 0.17 -0.04 4.32 4.36 1o62B1 THR 337 HG23 -0.54 -0.05 -0.26 -0.04 1.22 0.32 1o62B1 GLN 338 H -0.08 0.43 -0.18 -0.55 8.47 8.10 1o62B1 GLN 338 HA -0.05 0.11 0.76 -0.75 4.36 4.43 1o62B1 GLN 338 HB2 0.10 0.11 0.14 -0.04 2.15 2.46 1o62B1 GLN 338 HB3 -0.04 -0.11 0.03 -0.04 2.02 1.86 1o62B1 GLN 338 HG2 -0.07 0.11 -0.03 -0.04 2.40 2.36 1o62B1 GLN 338 HG3 0.03 -0.08 0.00 -0.04 2.39 2.30 1o62B1 GLN 338 HE21 -0.01 -0.07 -0.01 -0.04 6.97 6.84 1o62B1 GLN 338 HE22 -0.03 0.46 -0.10 -0.04 7.69 7.99 1o62B1 GLU 339 H -0.04 0.19 0.14 -0.55 8.60 8.34 1o62B1 GLU 339 HA -0.02 0.05 0.29 -0.75 4.29 3.86 1o62B1 GLU 339 HB2 -0.03 0.02 0.13 -0.04 2.09 2.17 1o62B1 GLU 339 HB3 -0.05 -0.03 0.12 -0.04 1.99 1.99 1o62B1 GLU 339 HG2 -0.03 0.02 -0.02 -0.04 2.34 2.27 1o62B1 GLU 339 HG3 -0.04 0.04 -0.26 -0.04 2.34 2.04 1o62B1 VAL 340 H -0.15 0.02 -0.21 -0.55 8.24 7.36 1o62B1 VAL 340 HA -0.17 0.10 0.34 -0.75 4.13 3.64 1o62B1 VAL 340 HB -0.25 -0.02 0.07 -0.04 2.12 1.87 1o62B1 VAL 340 HG13 -0.75 -0.02 -0.10 -0.04 0.97 0.06 1o62B1 VAL 340 HG23 -0.47 0.02 -0.05 -0.04 0.95 0.40 1o62B1 PHE 341 H -0.08 0.27 -0.50 -0.55 8.34 7.48 1o62B1 PHE 341 HA 0.06 0.23 0.77 -0.75 4.62 4.93 1o62B1 PHE 341 HB2 -0.08 0.13 -0.00 -0.04 3.15 3.16 1o62B1 PHE 341 HB3 0.19 -0.03 0.07 -0.04 3.06 3.24 1o62B1 PHE 341 HD2 -0.03 0.11 -0.02 -0.04 7.28 7.30 1o62B1 PHE 341 HE2 -0.01 -0.02 -0.08 -0.04 7.38 7.23 1o62B1 PHE 341 HZ 0.03 -0.07 -0.15 -0.04 7.32 7.08 1o62B1 LYS 342 H 0.02 0.42 -0.44 -0.55 8.42 7.86 1o62B1 LYS 342 HA 0.06 0.09 0.17 -0.75 4.32 3.89 1o62B1 LYS 342 HB2 0.01 0.08 0.16 -0.04 1.87 2.08 1o62B1 LYS 342 HB3 0.02 -0.02 0.07 -0.04 1.79 1.81 1o62B1 GLY 343 H 0.06 0.77 0.20 -0.55 8.43 8.92 1o62B1 GLY 343 HA2 0.04 -0.05 0.34 -0.51 4.01 3.83 1o62B1 GLY 343 HA3 0.05 0.10 0.58 -0.51 4.01 4.23 1o62B1 ALA 344 H 0.15 0.48 -0.45 -0.55 8.40 8.03 1o62B1 ALA 344 HA 0.08 0.05 0.47 -0.75 4.34 4.18 1o62B1 ALA 344 HB3 0.22 0.05 0.09 -0.04 1.41 1.73 1o62B1 LYS 345 H 0.04 0.19 0.28 -0.55 8.42 8.37 1o62B1 LYS 345 HA 0.01 0.34 0.91 -0.75 4.32 4.82 1o62B1 LYS 345 HB2 0.01 0.06 0.13 -0.04 1.87 2.03 1o62B1 LYS 345 HB3 0.04 -0.01 0.17 -0.04 1.79 1.95 1o62B1 LYS 345 HG2 0.09 -0.09 -0.19 -0.04 1.46 1.22 1o62B1 LYS 345 HG3 -0.19 -0.06 0.11 -0.04 1.46 1.28 1o62B1 LYS 345 HD2 0.09 0.03 -0.02 -0.04 1.69 1.75 1o62B1 LYS 345 HD3 -0.14 -0.04 -0.07 -0.04 1.68 1.39 1o62B1 LYS 345 HE2 -0.15 -0.02 -0.08 -0.04 2.99 2.70 1o62B1 LYS 345 HE3 -0.03 0.04 -0.01 -0.04 2.99 2.94 1o62B1 ALA 346 H -0.09 0.41 0.34 -0.55 8.40 8.52 1o62B1 ALA 346 HA 0.14 0.29 0.83 -0.75 4.34 4.84 1o62B1 ALA 346 HB3 0.07 -0.02 -0.09 -0.04 1.41 1.32 1o62B1 TYR 347 H 0.23 0.61 0.36 -0.55 8.29 8.94 1o62B1 TYR 347 HA -0.04 0.19 1.00 -0.75 4.56 4.96 1o62B1 TYR 347 HB2 -0.02 -0.05 0.23 -0.04 3.06 3.17 1o62B1 TYR 347 HB3 -0.03 -0.03 0.06 -0.04 2.98 2.95 1o62B1 TYR 347 HD2 -0.02 -0.01 -0.08 -0.04 7.15 7.00 1o62B1 TYR 347 HE2 -0.02 0.05 -0.12 -0.04 6.85 6.72 1o62B1 LEU 348 H -0.06 0.99 0.50 -0.55 8.37 9.26 1o62B1 LEU 348 HA -0.07 -0.04 1.15 -0.75 4.35 4.63 1o62B1 LEU 348 HB2 -0.12 0.20 0.02 -0.04 1.64 1.70 1o62B1 LEU 348 HB3 -0.19 -0.30 0.12 -0.04 1.64 1.23 1o62B1 LEU 348 HG -0.22 0.14 -0.30 -0.04 1.64 1.22 1o62B1 LEU 348 HD13 -0.23 0.03 -0.15 -0.04 0.93 0.54 1o62B1 LEU 348 HD23 -0.74 -0.00 -0.29 -0.04 0.89 -0.18 1o62B1 ASN 349 H -0.06 -0.20 0.32 -0.55 8.53 8.04 1o62B1 ASN 349 HA -0.02 0.33 0.68 -0.75 4.76 5.00 1o62B1 ASN 349 HB2 -0.01 0.04 0.13 -0.04 2.88 3.01 1o62B1 ASN 349 HB3 0.00 0.09 -0.06 -0.04 2.79 2.78 1o62B1 ASN 349 HD21 0.02 0.50 0.03 -0.04 7.03 7.54 1o62B1 ASN 349 HD22 0.02 -0.01 -0.05 -0.04 7.74 7.66 1o62B1 GLY 350 H -0.06 -0.10 0.21 -0.55 8.43 7.93 1o62B1 GLY 350 HA2 -0.03 0.09 0.35 -0.51 4.01 3.92 1o62B1 GLY 350 HA3 -0.04 0.21 0.68 -0.51 4.01 4.35 1o62B1 ASN 351 H -0.12 0.03 -0.15 -0.55 8.53 7.75 1o62B1 ASN 351 HA -0.42 0.23 0.45 -0.75 4.76 4.27 1o62B1 ASN 351 HB2 -0.17 -0.06 0.15 -0.04 2.88 2.77 1o62B1 ASN 351 HB3 -0.59 0.10 -0.09 -0.04 2.79 2.17 1o62B1 ASN 351 HD21 0.01 -0.02 0.08 -0.04 7.03 7.06 1o62B1 ASN 351 HD22 0.01 0.58 0.24 -0.04 7.74 8.52 1o62B1 SER 352 H -0.17 -0.03 0.08 -0.55 8.46 7.80 1o62B1 SER 352 HA -0.63 0.15 0.35 -0.75 4.49 3.61 1o62B1 SER 352 HB2 -0.16 0.09 0.02 -0.04 3.95 3.86 1o62B1 SER 352 HB3 -0.11 -0.07 0.14 -0.04 3.93 3.85 1o62B1 GLU 353 H -0.04 0.00 -0.41 -0.55 8.60 7.61 1o62B1 GLU 353 HA 0.07 0.11 0.44 -0.75 4.29 4.16 1o62B1 GLU 353 HB2 0.03 0.02 0.02 -0.04 2.09 2.12 1o62B1 GLU 353 HB3 0.06 0.12 -0.05 -0.04 1.99 2.07 1o62B1 GLU 353 HG2 -0.01 0.08 -0.08 -0.04 2.34 2.29 1o62B1 GLU 353 HG3 0.18 -0.20 -0.09 -0.04 2.34 2.19 1o62B1 LEU 354 H -0.11 0.30 -0.11 -0.55 8.37 7.90 1o62B1 LEU 354 HA 0.06 0.09 0.47 -0.75 4.35 4.22 1o62B1 LEU 354 HB2 -0.04 0.07 0.16 -0.04 1.64 1.80 1o62B1 LEU 354 HB3 -0.24 0.01 0.20 -0.04 1.64 1.56 1o62B1 LEU 354 HG 0.20 -0.02 -0.22 -0.04 1.64 1.56 1o62B1 LEU 354 HD13 0.12 0.01 0.05 -0.04 0.93 1.07 1o62B1 LEU 354 HD23 0.17 0.00 -0.09 -0.04 0.89 0.93 1o62B1 PHE 355 H -0.20 0.54 -0.09 -0.55 8.34 8.04 1o62B1 PHE 355 HA -0.05 0.05 0.32 -0.75 4.62 4.19 1o62B1 PHE 355 HB2 -0.39 0.03 0.06 -0.04 3.15 2.82 1o62B1 PHE 355 HB3 -0.07 -0.01 -0.05 -0.04 3.06 2.88 1o62B1 PHE 355 HD2 -0.22 -0.02 -0.14 -0.04 7.28 6.86 1o62B1 PHE 355 HE2 -0.06 0.03 -0.13 -0.04 7.38 7.19 1o62B1 PHE 355 HZ 0.09 -0.05 -0.14 -0.04 7.32 7.18 1o62B1 PHE 356 H 0.23 0.28 -0.39 -0.55 8.34 7.91 1o62B1 PHE 356 HA 0.16 -0.00 0.43 -0.75 4.62 4.44 1o62B1 PHE 356 HB2 0.16 0.01 0.13 -0.04 3.15 3.40 1o62B1 PHE 356 HB3 0.07 0.09 0.16 -0.04 3.06 3.34 1o62B1 PHE 356 HD2 0.11 0.11 -0.27 -0.04 7.28 7.19 1o62B1 PHE 356 HE2 0.04 0.15 -0.07 -0.04 7.38 7.46 1o62B1 PHE 356 HZ 0.03 -0.02 0.00 -0.04 7.32 7.30 1o62B1 GLN 357 H 0.18 0.39 -0.14 -0.55 8.47 8.35 1o62B1 GLN 357 HA -0.10 0.06 0.57 -0.75 4.36 4.14 1o62B1 GLN 357 HB2 0.11 -0.06 0.10 -0.04 2.15 2.25 1o62B1 GLN 357 HB3 0.15 0.06 0.06 -0.04 2.02 2.24 1o62B1 GLN 357 HG2 0.14 0.24 0.32 -0.04 2.40 3.05 1o62B1 GLN 357 HG3 0.12 0.08 0.16 -0.04 2.39 2.71 1o62B1 GLN 357 HE21 0.07 -0.03 -0.06 -0.04 6.97 6.91 1o62B1 GLN 357 HE22 0.09 0.00 -0.29 -0.04 7.69 7.46 1o62B1 LYS 358 H 0.08 0.41 -0.11 -0.55 8.42 8.24 1o62B1 LYS 358 HA -0.01 0.12 0.96 -0.75 4.32 4.63 1o62B1 LYS 358 HB2 0.11 0.01 0.07 -0.04 1.87 2.01 1o62B1 LYS 358 HB3 0.00 0.00 0.21 -0.04 1.79 1.97 1o62B1 LYS 358 HG2 0.06 -0.04 -0.03 -0.04 1.46 1.42 1o62B1 LYS 358 HG3 0.14 -0.03 -0.02 -0.04 1.46 1.51 1o62B1 LYS 358 HD2 0.28 -0.14 -0.02 -0.04 1.69 1.77 1o62B1 LYS 358 HD3 0.13 0.35 -0.06 -0.04 1.68 2.05 1o62B1 LYS 358 HE2 0.17 -0.04 0.03 -0.04 2.99 3.11 1o62B1 LYS 358 HE3 0.16 -0.09 0.03 -0.04 2.99 3.05 1o62B1 GLY 359 H -0.04 0.25 -0.21 -0.55 8.43 7.88 1o62B1 GLY 359 HA2 -0.07 0.28 0.94 -0.51 4.01 4.65 1o62B1 GLY 359 HA3 -0.06 -0.01 0.37 -0.51 4.01 3.81 1o62B1 ILE 360 H -0.15 0.39 0.35 -0.55 8.25 8.29 1o62B1 ILE 360 HA -0.15 0.18 0.76 -0.75 4.18 4.22 1o62B1 ILE 360 HB -0.05 0.03 -0.21 -0.04 1.89 1.62 1o62B1 ILE 360 HG12 -0.14 -0.02 -0.15 -0.04 1.49 1.14 1o62B1 ILE 360 HG13 -0.18 0.07 -0.30 -0.04 1.21 0.77 1o62B1 ILE 360 HG23 -0.22 0.03 -0.09 -0.04 0.93 0.60 1o62B1 ILE 360 HD13 -0.10 0.02 -0.06 -0.04 0.88 0.70 1o62B1 CYS 361 H -0.18 0.68 0.25 -0.55 8.50 8.70 1o62B1 CYS 361 HA -0.27 0.14 0.84 -0.75 4.58 4.53 1o62B1 CYS 361 HB2 -0.26 -0.07 -0.11 -0.04 2.97 2.50 1o62B1 CYS 361 HB3 -0.18 -0.04 0.12 -0.04 2.97 2.82 1o62B1 LEU 362 H -0.22 0.75 0.27 -0.55 8.37 8.63 1o62B1 LEU 362 HA -0.17 0.17 0.81 -0.75 4.35 4.40 1o62B1 LEU 362 HB2 -0.50 -0.01 -0.03 -0.04 1.64 1.06 1o62B1 LEU 362 HB3 -0.54 0.05 0.02 -0.04 1.64 1.12 1o62B1 LEU 362 HG -0.42 -0.01 -0.25 -0.04 1.64 0.92 1o62B1 LEU 362 HD13 -1.00 -0.02 -0.20 -0.04 0.93 -0.33 1o62B1 LEU 362 HD23 -0.38 0.01 -0.18 -0.04 0.89 0.30 1o62B1 PRO 363 HA 0.01 -0.03 0.47 -0.51 4.44 4.38 1o62B1 PRO 363 HB2 0.14 -0.01 0.09 -0.04 2.28 2.45 1o62B1 PRO 363 HB3 0.04 -0.04 0.13 -0.04 2.02 2.12 1o62B1 PRO 363 HG2 0.05 0.00 0.04 -0.04 2.03 2.08 1o62B1 PRO 363 HG3 0.00 0.34 0.11 -0.04 2.03 2.44 1o62B1 PRO 363 HD2 0.09 0.07 0.15 -0.04 3.68 3.94 1o62B1 PRO 363 HD3 -0.06 0.16 0.20 -0.04 3.65 3.91 1o62B1 SER 364 H 0.00 0.04 0.21 -0.55 8.46 8.17 1o62B1 SER 364 HA 0.09 0.24 0.85 -0.75 4.49 4.91 1o62B1 SER 364 HB2 -0.08 0.01 0.20 -0.04 3.95 4.03 1o62B1 SER 364 HB3 -0.06 0.10 0.19 -0.04 3.93 4.11 1o62B1 GLY 365 H 0.00 0.05 0.04 -0.55 8.43 7.98 1o62B1 GLY 365 HA2 -0.08 0.06 0.52 -0.51 4.01 4.00 1o62B1 GLY 365 HA3 -0.02 -0.01 0.35 -0.51 4.01 3.83 1o62B1 THR 366 H -0.10 0.13 0.23 -0.55 8.28 7.98 1o62B1 THR 366 HA -0.07 0.20 0.40 -0.75 4.39 4.17 1o62B1 THR 366 HB -0.05 0.04 0.12 -0.04 4.32 4.39 1o62B1 THR 366 HG23 -0.22 0.01 0.11 -0.04 1.22 1.08 1o62B1 ALA 367 H -0.01 -0.02 -0.29 -0.55 8.40 7.53 1o62B1 ALA 367 HA 0.02 0.13 0.43 -0.75 4.34 4.17 1o62B1 ALA 367 HB3 0.01 -0.01 0.04 -0.04 1.41 1.41 1o62B1 MET 368 H 0.03 0.32 -0.59 -0.55 8.47 7.69 1o62B1 MET 368 HA 0.04 -0.04 0.47 -0.75 4.52 4.23 1o62B1 MET 368 HB2 0.08 0.23 0.03 -0.04 2.15 2.44 1o62B1 MET 368 HB3 0.08 -0.02 -0.09 -0.04 2.03 1.97 1o62B1 MET 368 HG2 0.03 -0.04 -0.04 -0.04 2.63 2.55 1o62B1 MET 368 HG3 0.03 -0.11 -0.03 -0.04 2.56 2.41 1o62B1 MET 368 HE3 0.04 0.01 -0.17 -0.04 2.10 1.94 1o62B1 SER 369 H 0.01 0.01 0.21 -0.55 8.46 8.15 1o62B1 SER 369 HA 0.09 0.28 0.68 -0.75 4.49 4.80 1o62B1 SER 369 HB2 -0.08 -0.03 0.19 -0.04 3.95 3.98 1o62B1 SER 369 HB3 -0.01 0.17 0.12 -0.04 3.93 4.17 1o62B1 LYS 370 H -0.48 0.22 0.17 -0.55 8.42 7.77 1o62B1 LYS 370 HA -1.67 0.14 0.37 -0.75 4.32 2.41 1o62B1 LYS 370 HB2 -1.55 0.06 0.14 -0.04 1.87 0.48 1o62B1 LYS 370 HB3 -0.64 -0.02 0.09 -0.04 1.79 1.18 1o62B1 LYS 370 HG2 -0.61 -0.01 -0.06 -0.04 1.46 0.74 1o62B1 LYS 370 HG3 -2.54 0.03 0.06 -0.04 1.46 -1.02 1o62B1 LYS 370 HD2 -0.43 0.02 0.02 -0.04 1.69 1.26 1o62B1 LYS 370 HD3 -0.35 -0.01 -0.01 -0.04 1.68 1.27 1o62B1 LYS 370 HE2 -0.01 -0.00 -0.02 -0.04 2.99 2.92 1o62B1 LYS 370 HE3 -0.26 0.02 0.00 -0.04 2.99 2.71 1o62B1 ASP 371 H -0.26 0.07 -0.18 -0.55 8.40 7.48 1o62B1 ASP 371 HA -0.19 0.13 0.42 -0.75 4.63 4.25 1o62B1 ASP 371 HB2 -0.11 -0.04 0.07 -0.04 2.71 2.58 1o62B1 ASP 371 HB3 -0.09 0.07 -0.03 -0.04 2.70 2.61 1o62B1 ASP 372 H -0.09 0.05 -0.22 -0.55 8.40 7.58 1o62B1 ASP 372 HA -0.03 0.08 0.41 -0.75 4.63 4.34 1o62B1 ASP 372 HB2 -0.01 0.11 0.14 -0.04 2.71 2.92 1o62B1 ASP 372 HB3 -0.00 0.07 0.03 -0.04 2.70 2.75 1o62B1 VAL 373 H -0.06 0.44 -0.23 -0.55 8.24 7.85 1o62B1 VAL 373 HA -0.08 0.06 0.37 -0.75 4.13 3.73 1o62B1 VAL 373 HB 0.07 0.07 0.06 -0.04 2.12 2.28 1o62B1 VAL 373 HG13 -0.49 0.01 -0.16 -0.04 0.97 0.29 1o62B1 VAL 373 HG23 0.07 0.03 -0.05 -0.04 0.95 0.96 1o62B1 TYR 374 H -0.02 0.38 -0.27 -0.55 8.29 7.83 1o62B1 TYR 374 HA -0.57 0.06 0.44 -0.75 4.56 3.73 1o62B1 TYR 374 HB2 -0.68 0.07 0.14 -0.04 3.06 2.54 1o62B1 TYR 374 HB3 -0.35 0.07 0.20 -0.04 2.98 2.87 1o62B1 TYR 374 HD2 -1.53 0.01 -0.04 -0.04 7.15 5.55 1o62B1 TYR 374 HE2 -0.29 0.02 -0.02 -0.04 6.85 6.51 1o62B1 GLU 375 H -0.04 0.66 -0.01 -0.55 8.60 8.66 1o62B1 GLU 375 HA -0.18 0.01 0.43 -0.75 4.29 3.80 1o62B1 GLU 375 HB2 -0.04 0.09 0.17 -0.04 2.09 2.27 1o62B1 GLU 375 HB3 -0.05 -0.01 0.01 -0.04 1.99 1.90 1o62B1 GLU 375 HG2 -0.00 0.10 0.07 -0.04 2.34 2.46 1o62B1 GLU 375 HG3 -0.03 -0.04 0.00 -0.04 2.34 2.23 1o62B1 ILE 376 H -0.04 0.52 -0.22 -0.55 8.25 7.96 1o62B1 ILE 376 HA -0.01 0.03 0.45 -0.75 4.18 3.89 1o62B1 ILE 376 HB 0.09 0.10 0.14 -0.04 1.89 2.18 1o62B1 ILE 376 HG12 0.02 -0.02 0.03 -0.04 1.49 1.47 1o62B1 ILE 376 HG13 0.01 0.20 0.09 -0.04 1.21 1.47 1o62B1 ILE 376 HG23 0.13 -0.01 -0.12 -0.04 0.93 0.89 1o62B1 ILE 376 HD13 0.08 -0.03 -0.04 -0.04 0.88 0.85 1o62B1 SER 377 H -0.02 0.52 -0.24 -0.55 8.46 8.17 1o62B1 SER 377 HA 0.07 -0.02 0.38 -0.75 4.49 4.16 1o62B1 SER 377 HB2 -0.16 0.14 0.20 -0.04 3.95 4.09 1o62B1 SER 377 HB3 0.11 -0.04 -0.03 -0.04 3.93 3.93 1o62B1 LYS 378 H -0.29 0.53 -0.19 -0.55 8.42 7.92 1o62B1 LYS 378 HA -0.21 0.02 0.40 -0.75 4.32 3.77 1o62B1 LYS 378 HB2 -0.25 0.13 0.22 -0.04 1.87 1.92 1o62B1 LYS 378 HB3 -0.16 -0.03 -0.03 -0.04 1.79 1.52 1o62B1 LEU 379 H -0.09 0.49 -0.11 -0.55 8.37 8.11 1o62B1 LEU 379 HA -0.05 -0.00 0.36 -0.75 4.35 3.91 1o62B1 LEU 379 HB2 -0.03 0.14 0.13 -0.04 1.64 1.84 1o62B1 LEU 379 HB3 -0.03 -0.04 -0.00 -0.04 1.64 1.53 1o62B1 LEU 379 HG -0.06 0.16 0.12 -0.04 1.64 1.82 1o62B1 LEU 379 HD13 -0.03 -0.01 0.01 -0.04 0.93 0.86 1o62B1 LEU 379 HD23 -0.04 -0.02 0.00 -0.04 0.89 0.80 1o62B1 ILE 380 H -0.04 0.47 -0.30 -0.55 8.25 7.84 1o62B1 ILE 380 HA -0.01 -0.01 0.41 -0.75 4.18 3.81 1o62B1 ILE 380 HB -0.02 0.17 0.17 -0.04 1.89 2.17 1o62B1 ILE 380 HG12 -0.06 -0.06 -0.02 -0.04 1.49 1.30 1o62B1 ILE 380 HG13 -0.03 0.19 0.04 -0.04 1.21 1.37 1o62B1 ILE 380 HG23 -0.04 -0.02 -0.18 -0.04 0.93 0.64 1o62B1 ILE 380 HD13 -0.13 -0.03 -0.12 -0.04 0.88 0.57 1o62B1 LEU 381 H -0.03 0.71 -0.01 -0.55 8.37 8.49 1o62B1 LEU 381 HA -0.07 -0.04 0.35 -0.75 4.35 3.84 1o62B1 LEU 381 HB2 -0.08 0.10 0.15 -0.04 1.64 1.77 1o62B1 LEU 381 HB3 -0.12 -0.01 0.03 -0.04 1.64 1.50 1o62B1 LEU 381 HG 0.02 0.14 0.07 -0.04 1.64 1.83 1o62B1 LEU 381 HD13 0.01 0.04 0.01 -0.04 0.93 0.94 1o62B1 LEU 381 HD23 -0.00 -0.03 0.03 -0.04 0.89 0.85 1o62B1 LYS 382 H -0.05 0.46 -0.38 -0.55 8.42 7.89 1o62B1 LYS 382 HA -0.05 0.05 0.47 -0.75 4.32 4.04 1o62B1 SER 383 H -0.02 0.51 -0.09 -0.55 8.46 8.30 1o62B1 SER 383 HA -0.01 0.00 0.43 -0.75 4.49 4.16 1o62B1 SER 383 HB2 -0.01 0.02 0.14 -0.04 3.95 4.06 1o62B1 SER 383 HB3 0.01 0.11 0.23 -0.04 3.93 4.24 1o62B1 ILE 384 H -0.01 0.57 -0.05 -0.55 8.25 8.21 1o62B1 ILE 384 HA -0.01 0.03 0.53 -0.75 4.18 3.97 1o62B1 ILE 384 HB -0.06 -0.09 0.12 -0.04 1.89 1.81 1o62B1 ILE 384 HG12 -0.01 0.22 0.01 -0.04 1.49 1.67 1o62B1 ILE 384 HG13 -0.19 0.15 -0.30 -0.04 1.21 0.83 1o62B1 ILE 384 HG23 0.06 -0.01 -0.01 -0.04 0.93 0.92 1o62B1 ILE 384 HD13 -0.13 -0.04 -0.06 -0.04 0.88 0.61 1o62B1 LYS 385 H -0.05 0.11 -1.13 -0.55 8.42 6.79 1o62B1 LYS 385 HA -0.06 0.06 0.20 -0.75 4.32 3.77