============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 46 rings ring int. center anis. iso. TRP 15 1.040 -9.268 67.921 57.205 -99.200 -91.000 TRP6 15 1.020 -10.256 67.264 55.156 -99.200 -91.000 HIS 30 0.900 0.311 38.196 61.305 -99.200 -91.000 PHE 31 1.000 4.223 45.042 60.487 -99.200 -91.000 HIS 45 0.900 -3.896 56.720 67.504 -99.200 -91.000 TYR 48 0.840 -14.104 49.113 71.325 -99.200 -91.000 PHE 55 1.000 -7.215 47.777 76.794 -99.200 -91.000 HIS 58 0.900 -5.301 59.512 75.219 -99.200 -91.000 HIS 80 0.900 2.241 66.770 80.056 -99.200 -91.000 PHE 85 1.000 6.596 58.573 83.812 -99.200 -91.000 HIS 109 0.900 12.884 68.900 71.196 -99.200 -91.000 PHE 112 1.000 9.641 70.480 80.311 -99.200 -91.000 PHE 114 1.000 7.088 75.820 79.316 -99.200 -91.000 HIS 115 0.900 6.493 73.550 76.013 -99.200 -91.000 PHE 130 1.000 -13.078 79.038 68.256 -99.200 -91.000 TYR 142 0.840 5.896 69.024 67.216 -99.200 -91.000 HIS 158 0.900 23.785 64.945 81.227 -99.200 -91.000 PHE 177 1.000 1.210 83.900 75.395 -99.200 -91.000 PHE 180 1.000 4.025 80.696 82.567 -99.200 -91.000 TYR 182 0.840 9.244 81.913 85.890 -99.200 -91.000 TYR 194 0.840 8.833 67.303 83.772 -99.200 -91.000 TYR 197 0.840 6.731 63.520 86.263 -99.200 -91.000 TYR 204 0.840 8.999 52.981 80.758 -99.200 -91.000 HIS 210 0.900 22.368 51.335 67.804 -99.200 -91.000 PHE 211 1.000 14.622 48.773 69.205 -99.200 -91.000 PHE 236 1.000 3.470 68.049 52.111 -99.200 -91.000 TYR 239 0.840 -0.055 77.971 58.110 -99.200 -91.000 PHE 241 1.000 -8.722 77.379 60.692 -99.200 -91.000 TYR 273 0.840 -18.364 58.768 57.806 -99.200 -91.000 PHE 282 1.000 -15.848 68.206 56.132 -99.200 -91.000 PHE 301 1.000 -22.452 63.000 68.547 -99.200 -91.000 TRP 313 1.040 -22.041 63.551 51.173 -99.200 -91.000 TRP6 313 1.020 -23.238 61.581 51.684 -99.200 -91.000 PHE 321 1.000 -2.659 67.573 48.828 -99.200 -91.000 PHE 328 1.000 -1.411 57.019 52.134 -99.200 -91.000 TYR 351 0.840 -11.996 70.227 45.863 -99.200 -91.000 PHE 362 1.000 -6.998 70.281 49.888 -99.200 -91.000 HIS 373 0.900 -18.969 75.206 42.075 -99.200 -91.000 TYR 376 0.840 -21.071 66.626 46.854 -99.200 -91.000 TRP 382 1.040 -24.593 48.566 52.104 -99.200 -91.000 TRP6 382 1.020 -23.051 50.272 51.544 -99.200 -91.000 TYR 392 0.840 -14.762 43.020 47.850 -99.200 -91.000 TYR 402 0.840 -18.751 54.562 48.793 -99.200 -91.000 HIS 415 0.900 -4.136 45.405 48.808 -99.200 -91.000 TYR 416 0.840 -5.087 45.817 54.895 -99.200 -91.000 TYR 428 0.840 -7.604 40.962 56.793 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1dj2B1 ILE 15 HA 0.21 -0.02 0.18 -0.75 4.18 3.79 1dj2B1 ILE 15 HB 0.31 -0.00 0.01 -0.04 1.89 2.17 1dj2B1 ILE 15 HG12 -0.13 0.05 -0.33 -0.04 1.49 1.04 1dj2B1 ILE 15 HG13 0.18 -0.04 -0.04 -0.04 1.21 1.27 1dj2B1 ILE 15 HG23 -0.20 -0.00 0.01 -0.04 0.93 0.70 1dj2B1 ILE 15 HD13 0.13 0.02 -0.07 -0.04 0.88 0.91 1dj2B1 GLY 16 H -0.13 0.18 0.09 -0.55 8.43 8.03 1dj2B1 GLY 16 HA2 -0.17 0.19 0.64 -0.51 4.01 4.16 1dj2B1 GLY 16 HA3 -0.15 0.00 0.35 -0.51 4.01 3.70 1dj2B1 SER 17 H -0.05 0.12 -0.41 -0.55 8.46 7.57 1dj2B1 SER 17 HA -0.05 0.18 0.66 -0.75 4.49 4.53 1dj2B1 SER 17 HB2 -0.06 -0.04 0.01 -0.04 3.95 3.82 1dj2B1 SER 17 HB3 -0.06 0.00 -0.07 -0.04 3.93 3.76 1dj2B1 LEU 18 H -0.01 0.20 -0.45 -0.55 8.37 7.56 1dj2B1 LEU 18 HA 0.04 -0.05 0.40 -0.75 4.35 3.99 1dj2B1 LEU 18 HB2 0.09 0.15 0.01 -0.04 1.64 1.84 1dj2B1 LEU 18 HB3 0.21 -0.03 0.03 -0.04 1.64 1.81 1dj2B1 LEU 18 HG 0.13 -0.01 -0.01 -0.04 1.64 1.71 1dj2B1 LEU 18 HD13 0.26 0.01 -0.02 -0.04 0.93 1.14 1dj2B1 LEU 18 HD23 0.14 -0.03 -0.04 -0.04 0.89 0.91 1dj2B1 SER 19 H 0.07 -0.04 0.13 -0.55 8.46 8.08 1dj2B1 SER 19 HA 0.01 0.16 0.46 -0.75 4.49 4.37 1dj2B1 SER 19 HB2 0.03 0.06 0.16 -0.04 3.95 4.16 1dj2B1 SER 19 HB3 0.04 -0.00 0.18 -0.04 3.93 4.10 1dj2B1 GLN 20 H 0.01 0.13 0.15 -0.55 8.47 8.22 1dj2B1 GLN 20 HA -0.03 0.12 0.42 -0.75 4.36 4.12 1dj2B1 GLN 20 HB2 -0.01 0.01 0.13 -0.04 2.15 2.24 1dj2B1 GLN 20 HB3 0.01 -0.04 0.10 -0.04 2.02 2.06 1dj2B1 GLN 20 HG2 0.01 -0.01 -0.17 -0.04 2.40 2.20 1dj2B1 GLN 20 HG3 -0.02 0.04 -0.16 -0.04 2.39 2.21 1dj2B1 GLN 20 HE21 -0.02 0.51 0.21 -0.04 6.97 7.63 1dj2B1 GLN 20 HE22 -0.01 0.17 -0.00 -0.04 7.69 7.80 1dj2B1 VAL 21 H 0.06 0.03 -0.22 -0.55 8.24 7.56 1dj2B1 VAL 21 HA 0.14 0.35 1.11 -0.75 4.13 4.98 1dj2B1 VAL 21 HB 0.04 0.07 0.29 -0.04 2.12 2.47 1dj2B1 VAL 21 HG13 0.03 -0.03 -0.09 -0.04 0.97 0.84 1dj2B1 VAL 21 HG23 0.03 -0.01 -0.09 -0.04 0.95 0.84 1dj2B1 SER 22 H 0.29 0.42 0.09 -0.55 8.46 8.71 1dj2B1 SER 22 HA 0.08 0.19 0.77 -0.75 4.49 4.77 1dj2B1 SER 22 HB2 0.09 -0.00 0.01 -0.04 3.95 4.00 1dj2B1 SER 22 HB3 0.08 -0.03 0.16 -0.04 3.93 4.10 1dj2B1 GLY 23 H 0.01 0.47 0.39 -0.55 8.43 8.75 1dj2B1 GLY 23 HA2 -0.07 0.17 0.83 -0.51 4.01 4.44 1dj2B1 GLY 23 HA3 -0.00 -0.01 0.29 -0.51 4.01 3.78 1dj2B1 VAL 24 H -0.04 0.60 0.29 -0.55 8.24 8.55 1dj2B1 VAL 24 HA -0.05 0.26 1.01 -0.75 4.13 4.60 1dj2B1 VAL 24 HB -0.07 -0.09 0.19 -0.04 2.12 2.11 1dj2B1 VAL 24 HG13 -0.10 -0.02 -0.11 -0.04 0.97 0.71 1dj2B1 VAL 24 HG23 -0.14 0.02 -0.23 -0.04 0.95 0.56 1dj2B1 LEU 25 H -0.01 0.70 0.30 -0.55 8.37 8.81 1dj2B1 LEU 25 HA 0.02 0.13 1.01 -0.75 4.35 4.75 1dj2B1 LEU 25 HB2 0.42 0.02 -0.07 -0.04 1.64 1.96 1dj2B1 LEU 25 HB3 0.15 0.08 0.08 -0.04 1.64 1.90 1dj2B1 LEU 25 HG 0.10 -0.08 -0.48 -0.04 1.64 1.14 1dj2B1 LEU 25 HD13 0.06 0.00 -0.17 -0.04 0.93 0.78 1dj2B1 LEU 25 HD23 0.03 0.09 -0.06 -0.04 0.89 0.91 1dj2B1 GLY 26 H 0.00 0.39 0.17 -0.55 8.43 8.44 1dj2B1 GLY 26 HA2 -0.10 0.17 0.78 -0.51 4.01 4.35 1dj2B1 GLY 26 HA3 -0.06 -0.09 0.16 -0.51 4.01 3.51 1dj2B1 CYS 27 H -0.12 0.48 0.27 -0.55 8.50 8.58 1dj2B1 CYS 27 HA -0.03 0.15 0.79 -0.75 4.58 4.74 1dj2B1 CYS 27 HB2 -0.10 -0.01 0.03 -0.04 2.97 2.84 1dj2B1 CYS 27 HB3 -0.06 0.07 0.03 -0.04 2.97 2.96 1dj2B1 GLN 28 H -0.12 -0.05 0.07 -0.55 8.47 7.83 1dj2B1 GLN 28 HA -0.47 0.38 0.96 -0.75 4.36 4.47 1dj2B1 GLN 28 HB2 -0.00 -0.10 0.23 -0.04 2.15 2.24 1dj2B1 GLN 28 HB3 0.27 0.03 0.25 -0.04 2.02 2.53 1dj2B1 GLN 28 HG2 0.20 0.04 0.01 -0.04 2.40 2.61 1dj2B1 GLN 28 HG3 -0.04 0.07 -0.20 -0.04 2.39 2.18 1dj2B1 GLN 28 HE21 0.00 0.20 0.14 -0.04 6.97 7.28 1dj2B1 GLN 28 HE22 0.02 0.05 -0.03 -0.04 7.69 7.69 1dj2B1 TRP 29 H 0.23 0.18 0.13 -0.55 7.97 7.96 1dj2B1 TRP 29 HA -0.07 0.24 1.01 -0.75 4.62 5.04 1dj2B1 TRP 29 HB2 -0.22 0.39 0.31 -0.04 3.23 3.67 1dj2B1 TRP 29 HB3 -0.13 -0.07 0.28 -0.04 3.23 3.27 1dj2B1 TRP 29 HD1 -0.06 0.00 -0.05 -0.04 7.22 7.08 1dj2B1 TRP 29 HE1 0.00 0.12 0.00 -0.04 10.20 10.28 1dj2B1 TRP 29 HE3 -0.22 -0.10 -0.01 -0.04 7.59 7.22 1dj2B1 TRP 29 HZ2 0.07 0.08 -0.03 -0.04 7.44 7.52 1dj2B1 TRP 29 HZ3 -0.02 -0.07 -0.04 -0.04 7.13 6.95 1dj2B1 TRP 29 HH2 0.08 -0.06 -0.02 -0.04 7.19 7.15 1dj2B1 GLY 30 H -0.02 -0.01 -0.21 -0.55 8.43 7.64 1dj2B1 GLY 30 HA2 -0.01 -0.12 0.36 -0.51 4.01 3.72 1dj2B1 GLY 30 HA3 0.03 0.39 0.98 -0.51 4.01 4.90 1dj2B1 ASP 31 H -0.01 0.16 -0.14 -0.55 8.40 7.86 1dj2B1 ASP 31 HA -0.06 0.26 0.98 -0.75 4.63 5.05 1dj2B1 ASP 31 HB2 -0.03 0.02 -0.01 -0.04 2.71 2.65 1dj2B1 ASP 31 HB3 -0.03 0.11 0.11 -0.04 2.70 2.86 1dj2B1 GLU 32 H -0.07 -0.02 -0.30 -0.55 8.60 7.66 1dj2B1 GLU 32 HA -0.09 0.08 0.17 -0.75 4.29 3.70 1dj2B1 GLU 32 HB2 -0.10 -0.05 -0.03 -0.04 2.09 1.88 1dj2B1 GLU 32 HB3 -0.09 0.11 -0.26 -0.04 1.99 1.70 1dj2B1 GLU 32 HG2 -0.09 0.25 0.20 -0.04 2.34 2.65 1dj2B1 GLU 32 HG3 -0.07 0.01 0.08 -0.04 2.34 2.32 1dj2B1 GLY 33 H -0.12 -0.10 -0.18 -0.55 8.43 7.49 1dj2B1 GLY 33 HA2 -0.08 0.06 0.25 -0.51 4.01 3.73 1dj2B1 GLY 33 HA3 -0.05 0.29 0.93 -0.51 4.01 4.68 1dj2B1 LYS 34 H -0.18 0.03 0.07 -0.55 8.42 7.79 1dj2B1 LYS 34 HA -0.11 0.16 0.41 -0.75 4.32 4.02 1dj2B1 LYS 34 HB2 -0.20 0.08 -0.04 -0.04 1.87 1.67 1dj2B1 LYS 34 HB3 -0.10 0.07 -0.07 -0.04 1.79 1.65 1dj2B1 LYS 34 HG2 -0.12 0.01 -0.18 -0.04 1.46 1.13 1dj2B1 LYS 34 HG3 -0.17 -0.18 0.01 -0.04 1.46 1.07 1dj2B1 LYS 34 HD2 -0.07 0.30 -0.12 -0.04 1.69 1.76 1dj2B1 LYS 34 HD3 -0.06 -0.05 -0.31 -0.04 1.68 1.22 1dj2B1 LYS 34 HE2 -0.04 0.05 -0.45 -0.04 2.99 2.51 1dj2B1 LYS 34 HE3 -0.08 -0.23 -0.24 -0.04 2.99 2.41 1dj2B1 GLY 35 H -0.28 0.06 -0.02 -0.55 8.43 7.64 1dj2B1 GLY 35 HA2 0.05 0.02 0.29 -0.51 4.01 3.85 1dj2B1 GLY 35 HA3 -0.04 0.11 0.19 -0.51 4.01 3.76 1dj2B1 LYS 36 H -0.04 0.08 -0.34 -0.55 8.42 7.56 1dj2B1 LYS 36 HA 0.03 0.06 0.33 -0.75 4.32 3.98 1dj2B1 LYS 36 HB2 0.04 0.07 0.08 -0.04 1.87 2.01 1dj2B1 LYS 36 HB3 -0.01 0.04 0.03 -0.04 1.79 1.81 1dj2B1 LYS 36 HG2 0.02 -0.02 -0.41 -0.04 1.46 1.00 1dj2B1 LYS 36 HG3 0.07 0.07 -0.09 -0.04 1.46 1.46 1dj2B1 LYS 36 HD2 0.05 0.01 -0.00 -0.04 1.69 1.71 1dj2B1 LYS 36 HD3 0.01 -0.10 -0.03 -0.04 1.68 1.52 1dj2B1 LYS 36 HE2 0.02 -0.07 -0.18 -0.04 2.99 2.72 1dj2B1 LYS 36 HE3 0.05 0.31 -0.10 -0.04 2.99 3.21 1dj2B1 LEU 37 H -0.06 0.19 -0.26 -0.55 8.37 7.69 1dj2B1 LEU 37 HA -0.07 0.08 0.39 -0.75 4.35 3.99 1dj2B1 LEU 37 HB2 -0.11 0.01 0.05 -0.04 1.64 1.54 1dj2B1 LEU 37 HB3 -0.11 0.02 0.10 -0.04 1.64 1.60 1dj2B1 LEU 37 HG -0.21 0.01 -0.32 -0.04 1.64 1.08 1dj2B1 LEU 37 HD13 -0.41 0.00 -0.09 -0.04 0.93 0.40 1dj2B1 LEU 37 HD23 -0.22 -0.02 -0.13 -0.04 0.89 0.48 1dj2B1 VAL 38 H -0.06 0.62 -0.08 -0.55 8.24 8.17 1dj2B1 VAL 38 HA -0.10 0.05 0.35 -0.75 4.13 3.68 1dj2B1 VAL 38 HB -0.01 0.05 -0.03 -0.04 2.12 2.09 1dj2B1 VAL 38 HG13 -0.06 -0.01 -0.28 -0.04 0.97 0.57 1dj2B1 VAL 38 HG23 -0.06 0.01 -0.10 -0.04 0.95 0.76 1dj2B1 ASP 39 H -0.01 0.58 -0.23 -0.55 8.40 8.19 1dj2B1 ASP 39 HA 0.00 0.01 0.26 -0.75 4.63 4.15 1dj2B1 ASP 39 HB2 0.00 -0.00 0.01 -0.04 2.71 2.68 1dj2B1 ASP 39 HB3 0.02 0.17 0.09 -0.04 2.70 2.94 1dj2B1 ILE 40 H 0.02 0.40 -0.26 -0.55 8.25 7.86 1dj2B1 ILE 40 HA 0.09 0.04 0.45 -0.75 4.18 4.00 1dj2B1 ILE 40 HB 0.02 0.04 0.11 -0.04 1.89 2.02 1dj2B1 ILE 40 HG12 0.08 0.02 0.05 -0.04 1.49 1.60 1dj2B1 ILE 40 HG13 0.05 0.20 0.11 -0.04 1.21 1.53 1dj2B1 ILE 40 HG23 0.17 -0.02 -0.11 -0.04 0.93 0.93 1dj2B1 ILE 40 HD13 0.04 -0.05 -0.12 -0.04 0.88 0.72 1dj2B1 LEU 41 H 0.01 0.50 -0.19 -0.55 8.37 8.15 1dj2B1 LEU 41 HA 0.19 0.09 0.51 -0.75 4.35 4.38 1dj2B1 LEU 41 HB2 -0.07 0.01 0.03 -0.04 1.64 1.57 1dj2B1 LEU 41 HB3 0.09 -0.03 -0.06 -0.04 1.64 1.60 1dj2B1 LEU 41 HG -0.12 0.21 -0.02 -0.04 1.64 1.66 1dj2B1 LEU 41 HD13 -0.20 -0.04 -0.15 -0.04 0.93 0.49 1dj2B1 LEU 41 HD23 -0.01 0.00 -0.10 -0.04 0.89 0.74 1dj2B1 ALA 42 H 0.05 0.59 -0.21 -0.55 8.40 8.29 1dj2B1 ALA 42 HA 0.17 0.00 0.27 -0.75 4.34 4.02 1dj2B1 ALA 42 HB3 0.03 0.02 0.01 -0.04 1.41 1.43 1dj2B1 GLN 43 H 0.15 0.23 -0.79 -0.55 8.47 7.51 1dj2B1 GLN 43 HA -0.02 0.01 0.33 -0.75 4.36 3.92 1dj2B1 GLN 43 HB2 0.16 0.05 -0.05 -0.04 2.15 2.27 1dj2B1 GLN 43 HB3 -0.14 -0.07 0.02 -0.04 2.02 1.78 1dj2B1 GLN 43 HG2 0.03 -0.09 -0.01 -0.04 2.40 2.29 1dj2B1 GLN 43 HG3 0.10 0.17 -0.02 -0.04 2.39 2.60 1dj2B1 GLN 43 HE21 0.09 -0.06 -0.00 -0.04 6.97 6.96 1dj2B1 GLN 43 HE22 0.07 -0.04 -0.01 -0.04 7.69 7.67 1dj2B1 HIS 44 H 0.31 0.49 -0.33 -0.55 8.41 8.33 1dj2B1 HIS 44 HA -0.02 0.18 0.84 -0.75 4.63 4.88 1dj2B1 HIS 44 HB2 -0.01 0.07 0.03 -0.04 3.26 3.31 1dj2B1 HIS 44 HB3 -0.12 -0.02 0.17 -0.04 3.20 3.18 1dj2B1 HIS 44 HD2 -0.03 -0.01 -0.01 -0.04 6.97 6.87 1dj2B1 HIS 44 HE1 0.02 -0.02 -0.08 -0.04 7.75 7.63 1dj2B1 PHE 45 H 0.19 0.51 -0.30 -0.55 8.34 8.19 1dj2B1 PHE 45 HA 0.04 0.09 0.83 -0.75 4.62 4.83 1dj2B1 PHE 45 HB2 0.03 -0.04 -0.09 -0.04 3.15 3.01 1dj2B1 PHE 45 HB3 0.02 0.05 -0.18 -0.04 3.06 2.91 1dj2B1 PHE 45 HD2 0.04 0.09 -0.47 -0.04 7.28 6.90 1dj2B1 PHE 45 HE2 0.02 0.01 -0.18 -0.04 7.38 7.19 1dj2B1 PHE 45 HZ 0.02 -0.07 -0.11 -0.04 7.32 7.12 1dj2B1 ASP 46 H 0.09 0.14 0.23 -0.55 8.40 8.31 1dj2B1 ASP 46 HA 0.06 0.19 0.63 -0.75 4.63 4.76 1dj2B1 ASP 46 HB2 0.05 0.08 0.18 -0.04 2.71 2.98 1dj2B1 ASP 46 HB3 0.05 -0.03 0.08 -0.04 2.70 2.76 1dj2B1 ILE 47 H 0.17 0.50 0.19 -0.55 8.25 8.56 1dj2B1 ILE 47 HA 0.11 0.34 1.08 -0.75 4.18 4.95 1dj2B1 ILE 47 HB 0.09 -0.06 0.03 -0.04 1.89 1.91 1dj2B1 ILE 47 HG12 0.19 0.08 -0.19 -0.04 1.49 1.54 1dj2B1 ILE 47 HG13 0.08 -0.09 -0.39 -0.04 1.21 0.77 1dj2B1 ILE 47 HG23 0.19 -0.00 -0.16 -0.04 0.93 0.92 1dj2B1 ILE 47 HD13 -0.11 -0.01 -0.16 -0.04 0.88 0.55 1dj2B1 VAL 48 H 0.06 0.64 0.24 -0.55 8.24 8.63 1dj2B1 VAL 48 HA -0.04 0.32 0.96 -0.75 4.13 4.62 1dj2B1 VAL 48 HB -0.00 -0.01 0.03 -0.04 2.12 2.09 1dj2B1 VAL 48 HG13 -0.05 -0.07 -0.15 -0.04 0.97 0.67 1dj2B1 VAL 48 HG23 -0.01 0.03 -0.24 -0.04 0.95 0.69 1dj2B1 ALA 49 H -0.02 0.53 0.21 -0.55 8.40 8.58 1dj2B1 ALA 49 HA 0.01 0.30 1.26 -0.75 4.34 5.15 1dj2B1 ALA 49 HB3 0.04 0.01 -0.08 -0.04 1.41 1.34 1dj2B1 ARG 50 H -0.01 0.56 0.43 -0.55 8.46 8.88 1dj2B1 ARG 50 HA -0.01 0.19 0.82 -0.75 4.34 4.58 1dj2B1 ARG 50 HB2 -0.05 -0.01 0.11 -0.04 1.90 1.91 1dj2B1 ARG 50 HB3 -0.03 -0.02 0.14 -0.04 1.80 1.85 1dj2B1 ARG 50 HG2 -0.02 0.02 -0.03 -0.04 1.67 1.60 1dj2B1 ARG 50 HG3 -0.03 0.10 0.05 -0.04 1.67 1.75 1dj2B1 ARG 50 HD2 -0.14 -0.07 -0.13 -0.04 3.22 2.84 1dj2B1 ARG 50 HD3 -0.09 0.08 -0.04 -0.04 3.22 3.13 1dj2B1 CYS 51 H 0.01 0.13 0.19 -0.55 8.50 8.28 1dj2B1 CYS 51 HA 0.02 0.22 1.08 -0.75 4.58 5.14 1dj2B1 CYS 51 HB2 0.02 0.11 -0.02 -0.04 2.97 3.03 1dj2B1 CYS 51 HB3 0.02 0.06 -0.16 -0.04 2.97 2.85 1dj2B1 GLN 52 H 0.02 0.02 0.11 -0.55 8.47 8.07 1dj2B1 GLN 52 HA 0.08 0.38 0.70 -0.75 4.36 4.76 1dj2B1 GLN 52 HB2 0.02 -0.08 -0.08 -0.04 2.15 1.97 1dj2B1 GLN 52 HB3 0.02 -0.25 0.09 -0.04 2.02 1.84 1dj2B1 GLN 52 HG2 0.02 0.04 -0.36 -0.04 2.40 2.06 1dj2B1 GLN 52 HG3 -0.00 0.20 -0.06 -0.04 2.39 2.49 1dj2B1 GLN 52 HE21 0.04 0.05 -0.04 -0.04 6.97 6.98 1dj2B1 GLN 52 HE22 0.03 0.18 -0.05 -0.04 7.69 7.81 1dj2B1 GLY 53 H 0.13 0.06 0.09 -0.55 8.43 8.18 1dj2B1 GLY 53 HA2 0.14 -0.07 0.30 -0.51 4.01 3.88 1dj2B1 GLY 53 HA3 0.06 0.06 0.42 -0.51 4.01 4.04 1dj2B1 GLY 54 H 0.04 0.05 0.09 -0.55 8.43 8.06 1dj2B1 GLY 54 HA2 -0.02 0.22 0.56 -0.51 4.01 4.27 1dj2B1 GLY 54 HA3 -0.02 0.00 0.42 -0.51 4.01 3.91 1dj2B1 ALA 55 H -0.03 0.20 0.14 -0.55 8.40 8.17 1dj2B1 ALA 55 HA 0.04 0.17 0.39 -0.75 4.34 4.18 1dj2B1 ALA 55 HB3 -0.03 0.02 0.07 -0.04 1.41 1.43 1dj2B1 ASN 56 H 0.02 -0.10 -0.29 -0.55 8.53 7.60 1dj2B1 ASN 56 HA 0.05 0.08 0.33 -0.75 4.76 4.46 1dj2B1 ASN 56 HB2 0.04 0.05 0.03 -0.04 2.88 2.95 1dj2B1 ASN 56 HB3 0.02 -0.10 0.06 -0.04 2.79 2.73 1dj2B1 ASN 56 HD21 0.04 -0.07 -0.10 -0.04 7.03 6.86 1dj2B1 ASN 56 HD22 0.04 0.19 -0.46 -0.04 7.74 7.47 1dj2B1 ALA 57 H 0.03 0.09 -0.68 -0.55 8.40 7.30 1dj2B1 ALA 57 HA 0.06 0.02 0.39 -0.75 4.34 4.05 1dj2B1 ALA 57 HB3 0.00 0.02 0.12 -0.04 1.41 1.51 1dj2B1 GLY 58 H 0.19 0.01 0.03 -0.55 8.43 8.12 1dj2B1 GLY 58 HA2 -0.56 0.28 0.38 -0.51 4.01 3.60 1dj2B1 GLY 58 HA3 -0.14 -0.00 0.43 -0.51 4.01 3.79 1dj2B1 HIS 59 H 0.10 0.28 0.07 -0.55 8.41 8.31 1dj2B1 HIS 59 HA -0.07 -0.06 0.61 -0.75 4.63 4.36 1dj2B1 HIS 59 HB2 -0.08 0.05 0.09 -0.04 3.26 3.28 1dj2B1 HIS 59 HB3 -0.06 -0.05 0.02 -0.04 3.20 3.07 1dj2B1 HIS 59 HD2 -0.05 -0.06 -0.05 -0.04 6.97 6.76 1dj2B1 HIS 59 HE1 -0.04 0.17 0.12 -0.04 7.75 7.95 1dj2B1 THR 60 H -0.04 0.10 0.30 -0.55 8.28 8.10 1dj2B1 THR 60 HA -0.06 0.33 0.84 -0.75 4.39 4.74 1dj2B1 THR 60 HB -0.03 -0.07 0.16 -0.04 4.32 4.33 1dj2B1 THR 60 HG23 -0.23 0.01 -0.14 -0.04 1.22 0.82 1dj2B1 ILE 61 H -0.13 0.68 0.42 -0.55 8.25 8.67 1dj2B1 ILE 61 HA -0.03 0.15 0.76 -0.75 4.18 4.31 1dj2B1 ILE 61 HB 0.05 -0.01 -0.02 -0.04 1.89 1.87 1dj2B1 ILE 61 HG12 0.01 0.00 -0.46 -0.04 1.49 1.01 1dj2B1 ILE 61 HG13 0.01 -0.06 -0.72 -0.04 1.21 0.40 1dj2B1 ILE 61 HG23 0.06 0.02 -0.11 -0.04 0.93 0.85 1dj2B1 ILE 61 HD13 -0.00 -0.03 -0.08 -0.04 0.88 0.73 1dj2B1 TYR 62 H 0.17 0.28 0.11 -0.55 8.29 8.30 1dj2B1 TYR 62 HA 0.14 0.44 0.76 -0.75 4.56 5.15 1dj2B1 TYR 62 HB2 0.06 -0.03 0.09 -0.04 3.06 3.14 1dj2B1 TYR 62 HB3 0.06 -0.05 -0.11 -0.04 2.98 2.84 1dj2B1 TYR 62 HD2 0.03 0.18 -0.31 -0.04 7.15 7.01 1dj2B1 TYR 62 HE2 0.02 -0.01 -0.08 -0.04 6.85 6.74 1dj2B1 ASN 63 H 0.30 0.23 0.14 -0.55 8.53 8.66 1dj2B1 ASN 63 HA 0.14 0.19 0.47 -0.75 4.76 4.81 1dj2B1 ASN 63 HB2 0.14 -0.07 0.25 -0.04 2.88 3.15 1dj2B1 ASN 63 HB3 0.26 0.14 0.14 -0.04 2.79 3.29 1dj2B1 ASN 63 HD21 0.19 0.03 0.09 -0.04 7.03 7.29 1dj2B1 ASN 63 HD22 0.32 0.16 0.09 -0.04 7.74 8.27 1dj2B1 SER 64 H 0.09 0.18 0.15 -0.55 8.46 8.33 1dj2B1 SER 64 HA 0.08 0.12 0.44 -0.75 4.49 4.38 1dj2B1 SER 64 HB2 0.06 -0.03 0.10 -0.04 3.95 4.04 1dj2B1 SER 64 HB3 0.05 0.05 0.05 -0.04 3.93 4.03 1dj2B1 GLU 65 H 0.10 -0.07 -0.18 -0.55 8.60 7.90 1dj2B1 GLU 65 HA 0.05 0.19 0.64 -0.75 4.29 4.42 1dj2B1 GLU 65 HB2 0.08 -0.13 0.09 -0.04 2.09 2.09 1dj2B1 GLU 65 HB3 0.05 0.06 -0.05 -0.04 1.99 2.01 1dj2B1 GLU 65 HG2 0.06 -0.06 -0.01 -0.04 2.34 2.29 1dj2B1 GLU 65 HG3 0.05 0.04 0.01 -0.04 2.34 2.39 1dj2B1 GLY 66 H 0.12 -0.24 -0.05 -0.55 8.43 7.71 1dj2B1 GLY 66 HA2 0.12 0.07 0.13 -0.51 4.01 3.82 1dj2B1 GLY 66 HA3 0.05 0.24 0.79 -0.51 4.01 4.57 1dj2B1 LYS 67 H 0.12 -0.19 0.13 -0.55 8.42 7.92 1dj2B1 LYS 67 HA -0.02 0.13 0.58 -0.75 4.32 4.25 1dj2B1 LYS 67 HB2 -0.01 -0.02 0.11 -0.04 1.87 1.91 1dj2B1 LYS 67 HB3 -0.07 -0.07 0.13 -0.04 1.79 1.74 1dj2B1 LYS 67 HG2 -0.74 0.11 -0.20 -0.04 1.46 0.59 1dj2B1 LYS 67 HG3 -0.21 0.00 0.04 -0.04 1.46 1.25 1dj2B1 LYS 67 HD2 -0.38 0.01 0.00 -0.04 1.69 1.28 1dj2B1 LYS 67 HD3 -0.26 0.05 0.02 -0.04 1.68 1.44 1dj2B1 LYS 67 HE2 -0.03 -0.02 0.02 -0.04 2.99 2.92 1dj2B1 LYS 67 HE3 0.04 -0.13 0.04 -0.04 2.99 2.90 1dj2B1 LYS 68 H -0.06 0.15 0.21 -0.55 8.42 8.16 1dj2B1 LYS 68 HA -0.45 0.22 0.63 -0.75 4.32 3.96 1dj2B1 LYS 68 HB2 0.16 0.03 0.14 -0.04 1.87 2.17 1dj2B1 LYS 68 HB3 -0.07 -0.03 0.19 -0.04 1.79 1.85 1dj2B1 LYS 68 HG2 -0.14 -0.03 -0.19 -0.04 1.46 1.06 1dj2B1 LYS 68 HG3 -0.41 0.02 -0.03 -0.04 1.46 1.00 1dj2B1 LYS 68 HD2 0.18 0.01 0.01 -0.04 1.69 1.84 1dj2B1 LYS 68 HD3 0.03 -0.01 -0.01 -0.04 1.68 1.65 1dj2B1 LYS 68 HE2 0.01 -0.02 -0.05 -0.04 2.99 2.89 1dj2B1 LYS 68 HE3 0.12 0.00 -0.04 -0.04 2.99 3.04 1dj2B1 PHE 69 H -0.10 0.84 0.44 -0.55 8.34 8.96 1dj2B1 PHE 69 HA -0.04 0.15 0.87 -0.75 4.62 4.85 1dj2B1 PHE 69 HB2 -0.07 -0.02 0.11 -0.04 3.15 3.13 1dj2B1 PHE 69 HB3 -0.03 -0.03 -0.08 -0.04 3.06 2.88 1dj2B1 PHE 69 HD2 -0.01 0.01 -0.06 -0.04 7.28 7.18 1dj2B1 PHE 69 HE2 0.02 -0.04 0.00 -0.04 7.38 7.32 1dj2B1 PHE 69 HZ 0.02 0.12 0.01 -0.04 7.32 7.43 1dj2B1 ALA 70 H 0.10 0.23 -0.01 -0.55 8.40 8.17 1dj2B1 ALA 70 HA -0.01 0.26 0.84 -0.75 4.34 4.67 1dj2B1 ALA 70 HB3 0.03 0.00 -0.02 -0.04 1.41 1.38 1dj2B1 LEU 71 H 0.01 0.52 0.01 -0.55 8.37 8.37 1dj2B1 LEU 71 HA 0.07 0.05 0.48 -0.75 4.35 4.19 1dj2B1 LEU 71 HB2 -0.04 -0.04 -0.00 -0.04 1.64 1.52 1dj2B1 LEU 71 HB3 -0.08 0.14 -0.10 -0.04 1.64 1.56 1dj2B1 LEU 71 HG -0.05 0.05 -0.27 -0.04 1.64 1.32 1dj2B1 LEU 71 HD13 -0.01 -0.02 -0.15 -0.04 0.93 0.71 1dj2B1 LEU 71 HD23 0.00 -0.03 -0.17 -0.04 0.89 0.66 1dj2B1 HIS 72 H 0.06 -0.05 0.07 -0.55 8.41 7.95 1dj2B1 HIS 72 HA -0.07 0.13 0.64 -0.75 4.63 4.57 1dj2B1 HIS 72 HB2 -0.04 -0.13 0.09 -0.04 3.26 3.13 1dj2B1 HIS 72 HB3 -0.05 -0.01 -0.00 -0.04 3.20 3.10 1dj2B1 HIS 72 HD2 -0.01 0.31 0.07 -0.04 6.97 7.30 1dj2B1 HIS 72 HE1 0.01 -0.00 -0.08 -0.04 7.75 7.64 1dj2B1 LEU 73 H 0.02 0.01 0.13 -0.55 8.37 7.99 1dj2B1 LEU 73 HA -0.07 0.23 0.69 -0.75 4.35 4.45 1dj2B1 LEU 73 HB2 -0.07 -0.03 0.06 -0.04 1.64 1.56 1dj2B1 LEU 73 HB3 -0.11 0.07 -0.15 -0.04 1.64 1.41 1dj2B1 LEU 73 HG -0.04 -0.03 -0.27 -0.04 1.64 1.26 1dj2B1 LEU 73 HD13 -0.11 -0.04 -0.04 -0.04 0.93 0.70 1dj2B1 LEU 73 HD23 -0.08 0.03 -0.14 -0.04 0.89 0.66 1dj2B1 VAL 74 H -0.06 -0.09 0.05 -0.55 8.24 7.60 1dj2B1 VAL 74 HA -0.09 0.14 0.39 -0.75 4.13 3.82 1dj2B1 VAL 74 HB -0.05 -0.08 0.02 -0.04 2.12 1.97 1dj2B1 VAL 74 HG13 -0.06 0.08 -0.14 -0.04 0.97 0.80 1dj2B1 VAL 74 HG23 -0.08 -0.01 -0.03 -0.04 0.95 0.79 1dj2B1 PRO 75 HA -0.09 0.01 0.30 -0.51 4.44 4.15 1dj2B1 PRO 75 HB2 -0.04 0.03 -0.05 -0.04 2.28 2.18 1dj2B1 PRO 75 HB3 -0.04 -0.01 -0.10 -0.04 2.02 1.83 1dj2B1 PRO 75 HG2 -0.03 0.11 0.06 -0.04 2.03 2.12 1dj2B1 PRO 75 HG3 -0.05 0.01 0.07 -0.04 2.03 2.02 1dj2B1 PRO 75 HD2 -0.05 0.11 0.09 -0.04 3.68 3.79 1dj2B1 PRO 75 HD3 -0.07 0.17 0.16 -0.04 3.65 3.87 1dj2B1 SER 76 H -0.04 0.12 0.04 -0.55 8.46 8.03 1dj2B1 SER 76 HA -0.03 0.12 0.26 -0.75 4.49 4.08 1dj2B1 SER 76 HB2 0.03 -0.03 -0.02 -0.04 3.95 3.89 1dj2B1 SER 76 HB3 0.02 0.11 0.01 -0.04 3.93 4.02 1dj2B1 GLY 77 H -0.03 0.04 -0.65 -0.55 8.43 7.24 1dj2B1 GLY 77 HA2 -0.02 0.13 0.40 -0.51 4.01 4.01 1dj2B1 GLY 77 HA3 -0.02 0.09 0.14 -0.51 4.01 3.71 1dj2B1 ILE 78 H -0.06 0.30 -0.62 -0.55 8.25 7.32 1dj2B1 ILE 78 HA -0.04 0.18 0.26 -0.75 4.18 3.83 1dj2B1 ILE 78 HB -0.06 0.06 -0.07 -0.04 1.89 1.78 1dj2B1 ILE 78 HG12 -0.06 -0.08 -0.14 -0.04 1.49 1.17 1dj2B1 ILE 78 HG13 -0.07 0.02 -0.12 -0.04 1.21 0.99 1dj2B1 ILE 78 HG23 -0.12 -0.02 -0.27 -0.04 0.93 0.47 1dj2B1 ILE 78 HD13 -0.02 0.01 -0.10 -0.04 0.88 0.73 1dj2B1 LEU 79 H -0.09 0.15 -0.51 -0.55 8.37 7.37 1dj2B1 LEU 79 HA -0.18 0.08 0.47 -0.75 4.35 3.97 1dj2B1 LEU 79 HB2 -0.08 0.07 -0.05 -0.04 1.64 1.53 1dj2B1 LEU 79 HB3 -0.11 -0.06 -0.02 -0.04 1.64 1.41 1dj2B1 LEU 79 HG -0.25 0.03 -0.09 -0.04 1.64 1.29 1dj2B1 LEU 79 HD13 -0.11 -0.02 -0.12 -0.04 0.93 0.65 1dj2B1 LEU 79 HD23 -0.84 0.00 -0.11 -0.04 0.89 -0.10 1dj2B1 ASN 80 H -0.03 0.34 -0.40 -0.55 8.53 7.90 1dj2B1 ASN 80 HA -0.01 0.01 0.66 -0.75 4.76 4.67 1dj2B1 ASN 80 HB2 0.01 0.16 0.02 -0.04 2.88 3.02 1dj2B1 ASN 80 HB3 0.00 -0.00 -0.14 -0.04 2.79 2.61 1dj2B1 ASN 80 HD21 0.02 0.19 -0.09 -0.04 7.03 7.11 1dj2B1 ASN 80 HD22 -0.01 -0.11 -0.10 -0.04 7.74 7.48 1dj2B1 GLU 81 H -0.01 0.13 0.11 -0.55 8.60 8.28 1dj2B1 GLU 81 HA -0.01 0.14 0.29 -0.75 4.29 3.96 1dj2B1 GLU 81 HB2 -0.00 -0.05 0.08 -0.04 2.09 2.08 1dj2B1 GLU 81 HB3 -0.00 0.01 0.04 -0.04 1.99 2.00 1dj2B1 GLU 81 HG2 -0.01 0.04 0.11 -0.04 2.34 2.44 1dj2B1 GLU 81 HG3 0.00 -0.04 0.05 -0.04 2.34 2.31 1dj2B1 ASP 82 H -0.00 0.03 -0.28 -0.55 8.40 7.59 1dj2B1 ASP 82 HA 0.01 0.15 0.66 -0.75 4.63 4.69 1dj2B1 ASP 82 HB2 -0.01 0.03 0.08 -0.04 2.71 2.77 1dj2B1 ASP 82 HB3 0.00 0.02 0.18 -0.04 2.70 2.86 1dj2B1 THR 83 H 0.01 0.39 -0.61 -0.55 8.28 7.53 1dj2B1 THR 83 HA 0.05 0.28 0.98 -0.75 4.39 4.95 1dj2B1 THR 83 HB 0.02 0.19 0.01 -0.04 4.32 4.50 1dj2B1 THR 83 HG23 0.05 -0.05 -0.37 -0.04 1.22 0.81 1dj2B1 THR 84 H 0.08 0.59 0.31 -0.55 8.28 8.71 1dj2B1 THR 84 HA 0.03 0.18 0.92 -0.75 4.39 4.76 1dj2B1 THR 84 HB 0.17 -0.08 0.15 -0.04 4.32 4.52 1dj2B1 THR 84 HG23 -0.03 -0.00 -0.08 -0.04 1.22 1.07 1dj2B1 CYS 85 H 0.01 0.72 0.37 -0.55 8.50 9.06 1dj2B1 CYS 85 HA 0.02 0.22 1.00 -0.75 4.58 5.06 1dj2B1 CYS 85 HB2 -0.01 0.07 0.16 -0.04 2.97 3.14 1dj2B1 CYS 85 HB3 -0.03 -0.11 0.04 -0.04 2.97 2.83 1dj2B1 VAL 86 H 0.02 0.62 0.45 -0.55 8.24 8.78 1dj2B1 VAL 86 HA -0.01 0.24 1.12 -0.75 4.13 4.73 1dj2B1 VAL 86 HB 0.09 -0.08 0.05 -0.04 2.12 2.14 1dj2B1 VAL 86 HG13 0.08 -0.02 -0.20 -0.04 0.97 0.79 1dj2B1 VAL 86 HG23 0.19 0.03 -0.26 -0.04 0.95 0.87 1dj2B1 ILE 87 H -0.02 0.93 0.36 -0.55 8.25 8.97 1dj2B1 ILE 87 HA -0.03 0.08 0.95 -0.75 4.18 4.43 1dj2B1 ILE 87 HB -0.06 -0.04 0.28 -0.04 1.89 2.03 1dj2B1 ILE 87 HG12 -0.07 0.09 -0.06 -0.04 1.49 1.41 1dj2B1 ILE 87 HG13 -0.07 0.03 -0.19 -0.04 1.21 0.93 1dj2B1 ILE 87 HG23 -0.06 0.01 -0.07 -0.04 0.93 0.76 1dj2B1 ILE 87 HD13 -0.13 -0.04 -0.18 -0.04 0.88 0.49 1dj2B1 GLY 88 H 0.00 0.62 0.25 -0.55 8.43 8.75 1dj2B1 GLY 88 HA2 0.03 -0.05 0.44 -0.51 4.01 3.92 1dj2B1 GLY 88 HA3 0.03 0.23 0.54 -0.51 4.01 4.29 1dj2B1 ASN 89 H 0.04 0.30 0.25 -0.55 8.53 8.57 1dj2B1 ASN 89 HA 0.04 -0.00 0.51 -0.75 4.76 4.55 1dj2B1 ASN 89 HB2 0.06 0.12 -0.10 -0.04 2.88 2.93 1dj2B1 ASN 89 HB3 0.05 -0.22 0.02 -0.04 2.79 2.60 1dj2B1 ASN 89 HD21 0.04 0.12 -0.20 -0.04 7.03 6.96 1dj2B1 ASN 89 HD22 0.06 0.03 -0.16 -0.04 7.74 7.63 1dj2B1 GLY 90 H 0.05 0.37 0.18 -0.55 8.43 8.48 1dj2B1 GLY 90 HA2 0.10 0.05 0.47 -0.51 4.01 4.11 1dj2B1 GLY 90 HA3 0.07 0.02 0.44 -0.51 4.01 4.04 1dj2B1 VAL 91 H 0.03 0.11 -0.60 -0.55 8.24 7.24 1dj2B1 VAL 91 HA 0.05 0.12 0.31 -0.75 4.13 3.85 1dj2B1 VAL 91 HB -0.02 0.10 -0.15 -0.04 2.12 2.01 1dj2B1 VAL 91 HG13 -0.04 0.00 -0.24 -0.04 0.97 0.65 1dj2B1 VAL 91 HG23 0.00 -0.01 -0.37 -0.04 0.95 0.53 1dj2B1 VAL 92 H -0.07 0.40 0.12 -0.55 8.24 8.14 1dj2B1 VAL 92 HA -0.14 0.37 0.89 -0.75 4.13 4.50 1dj2B1 VAL 92 HB -0.27 -0.07 -0.05 -0.04 2.12 1.69 1dj2B1 VAL 92 HG13 -0.73 0.02 -0.20 -0.04 0.97 0.02 1dj2B1 VAL 92 HG23 -0.19 -0.02 0.01 -0.04 0.95 0.71 1dj2B1 VAL 93 H -0.10 0.40 -0.01 -0.55 8.24 7.98 1dj2B1 VAL 93 HA -0.10 0.04 0.68 -0.75 4.13 3.99 1dj2B1 VAL 93 HB -0.20 -0.05 -0.16 -0.04 2.12 1.67 1dj2B1 VAL 93 HG13 -0.11 0.02 -0.13 -0.04 0.97 0.71 1dj2B1 VAL 93 HG23 -0.13 0.03 -0.09 -0.04 0.95 0.72 1dj2B1 HIS 94 H -0.06 0.18 0.13 -0.55 8.41 8.12 1dj2B1 HIS 94 HA -0.18 0.38 0.88 -0.75 4.63 4.96 1dj2B1 HIS 94 HB2 -0.12 0.06 0.08 -0.04 3.26 3.25 1dj2B1 HIS 94 HB3 -0.13 -0.07 0.24 -0.04 3.20 3.19 1dj2B1 HIS 94 HD2 -0.10 -0.12 0.04 -0.04 6.97 6.74 1dj2B1 HIS 94 HE1 0.07 -0.09 -0.15 -0.04 7.75 7.53 1dj2B1 LEU 95 H -0.39 0.29 0.01 -0.55 8.37 7.73 1dj2B1 LEU 95 HA -0.68 0.03 0.34 -0.75 4.35 3.28 1dj2B1 LEU 95 HB2 -0.74 0.02 0.10 -0.04 1.64 0.97 1dj2B1 LEU 95 HB3 -0.85 0.03 -0.03 -0.04 1.64 0.74 1dj2B1 LEU 95 HG -0.20 0.03 -0.02 -0.04 1.64 1.41 1dj2B1 LEU 95 HD13 0.09 0.02 -0.06 -0.04 0.93 0.93 1dj2B1 LEU 95 HD23 -0.44 -0.00 -0.08 -0.04 0.89 0.32 1dj2B1 PRO 96 HA -0.26 0.10 0.41 -0.51 4.44 4.18 1dj2B1 PRO 96 HB2 -0.15 0.01 0.03 -0.04 2.28 2.13 1dj2B1 PRO 96 HB3 -0.02 0.09 0.06 -0.04 2.02 2.10 1dj2B1 PRO 96 HG2 -0.29 0.03 0.05 -0.04 2.03 1.77 1dj2B1 PRO 96 HG3 -0.43 0.07 0.05 -0.04 2.03 1.68 1dj2B1 PRO 96 HD2 -1.54 0.06 -0.12 -0.04 3.68 2.05 1dj2B1 PRO 96 HD3 -0.83 0.09 0.11 -0.04 3.65 2.98 1dj2B1 GLY 97 H -0.12 0.15 -0.25 -0.55 8.43 7.67 1dj2B1 GLY 97 HA2 -0.01 0.09 0.46 -0.51 4.01 4.04 1dj2B1 GLY 97 HA3 0.06 0.05 0.29 -0.51 4.01 3.89 1dj2B1 LEU 98 H -0.29 0.50 -0.04 -0.55 8.37 8.00 1dj2B1 LEU 98 HA -0.18 -0.03 0.40 -0.75 4.35 3.78 1dj2B1 LEU 98 HB2 -0.32 -0.07 -0.02 -0.04 1.64 1.19 1dj2B1 LEU 98 HB3 -0.68 0.08 0.11 -0.04 1.64 1.12 1dj2B1 LEU 98 HG -0.52 0.05 -0.31 -0.04 1.64 0.81 1dj2B1 LEU 98 HD13 -0.23 -0.01 -0.05 -0.04 0.93 0.59 1dj2B1 LEU 98 HD23 -0.46 0.00 -0.11 -0.04 0.89 0.29 1dj2B1 PHE 99 H -0.39 0.63 -0.08 -0.55 8.34 7.94 1dj2B1 PHE 99 HA -0.08 0.06 0.51 -0.75 4.62 4.36 1dj2B1 PHE 99 HB2 -0.07 0.10 0.13 -0.04 3.15 3.27 1dj2B1 PHE 99 HB3 0.00 -0.01 0.02 -0.04 3.06 3.03 1dj2B1 PHE 99 HD2 -0.13 -0.02 -0.06 -0.04 7.28 7.03 1dj2B1 PHE 99 HE2 -0.00 -0.01 -0.06 -0.04 7.38 7.27 1dj2B1 PHE 99 HZ 0.05 0.08 0.01 -0.04 7.32 7.42 1dj2B1 LYS 100 H 0.05 0.44 -0.13 -0.55 8.42 8.22 1dj2B1 LYS 100 HA 0.06 0.01 0.40 -0.75 4.32 4.03 1dj2B1 LYS 100 HB2 0.03 0.12 0.19 -0.04 1.87 2.17 1dj2B1 LYS 100 HB3 -0.01 0.11 0.14 -0.04 1.79 1.99 1dj2B1 LYS 100 HG2 0.01 0.00 -0.05 -0.04 1.46 1.38 1dj2B1 LYS 100 HG3 0.03 -0.03 0.07 -0.04 1.46 1.49 1dj2B1 LYS 100 HD2 -0.02 -0.00 -0.01 -0.04 1.69 1.62 1dj2B1 LYS 100 HD3 0.01 0.01 -0.01 -0.04 1.68 1.65 1dj2B1 LYS 100 HE2 0.03 0.06 -0.05 -0.04 2.99 2.99 1dj2B1 LYS 100 HE3 0.03 -0.03 -0.03 -0.04 2.99 2.92 1dj2B1 GLU 101 H -0.02 0.43 -0.36 -0.55 8.60 8.10 1dj2B1 GLU 101 HA 0.01 0.07 0.48 -0.75 4.29 4.10 1dj2B1 GLU 101 HB2 -0.05 0.05 0.12 -0.04 2.09 2.17 1dj2B1 GLU 101 HB3 -0.05 0.14 0.12 -0.04 1.99 2.16 1dj2B1 GLU 101 HG2 0.02 0.05 -0.09 -0.04 2.34 2.28 1dj2B1 GLU 101 HG3 0.06 0.10 0.06 -0.04 2.34 2.52 1dj2B1 ILE 102 H 0.02 0.38 -0.14 -0.55 8.25 7.95 1dj2B1 ILE 102 HA 0.02 0.05 0.53 -0.75 4.18 4.02 1dj2B1 ILE 102 HB 0.12 0.07 0.21 -0.04 1.89 2.25 1dj2B1 ILE 102 HG12 -0.08 -0.04 0.02 -0.04 1.49 1.35 1dj2B1 ILE 102 HG13 -0.08 0.33 0.14 -0.04 1.21 1.56 1dj2B1 ILE 102 HG23 0.11 -0.01 -0.05 -0.04 0.93 0.94 1dj2B1 ILE 102 HD13 -0.21 -0.03 -0.06 -0.04 0.88 0.54 1dj2B1 ASP 103 H 0.07 0.77 -0.00 -0.55 8.40 8.69 1dj2B1 ASP 103 HA 0.05 0.02 0.40 -0.75 4.63 4.35 1dj2B1 ASP 103 HB2 0.05 0.09 0.21 -0.04 2.71 3.02 1dj2B1 ASP 103 HB3 0.04 -0.02 -0.01 -0.04 2.70 2.67 1dj2B1 GLY 104 H 0.04 0.51 -0.07 -0.55 8.43 8.37 1dj2B1 GLY 104 HA2 0.05 0.01 0.39 -0.51 4.01 3.94 1dj2B1 GLY 104 HA3 0.05 0.07 0.29 -0.51 4.01 3.91 1dj2B1 LEU 105 H 0.06 0.21 -0.91 -0.55 8.37 7.17 1dj2B1 LEU 105 HA 0.14 0.07 0.68 -0.75 4.35 4.49 1dj2B1 LEU 105 HB2 0.05 0.39 0.19 -0.04 1.64 2.23 1dj2B1 LEU 105 HB3 0.04 0.05 0.10 -0.04 1.64 1.79 1dj2B1 LEU 105 HG -0.02 0.01 -0.09 -0.04 1.64 1.50 1dj2B1 LEU 105 HD13 0.07 -0.02 -0.05 -0.04 0.93 0.89 1dj2B1 LEU 105 HD23 -0.03 -0.03 -0.11 -0.04 0.89 0.69 1dj2B1 GLU 106 H 0.06 0.49 0.08 -0.55 8.60 8.68 1dj2B1 GLU 106 HA 0.05 0.44 0.38 -0.75 4.29 4.40 1dj2B1 GLU 106 HB2 0.05 0.06 0.16 -0.04 2.09 2.31 1dj2B1 GLU 106 HB3 0.04 -0.06 0.01 -0.04 1.99 1.94 1dj2B1 GLU 106 HG2 0.04 0.10 0.28 -0.04 2.34 2.71 1dj2B1 GLU 106 HG3 0.06 0.15 0.14 -0.04 2.34 2.64 1dj2B1 SER 107 H 0.05 0.42 -0.10 -0.55 8.46 8.29 1dj2B1 SER 107 HA 0.04 0.06 0.45 -0.75 4.49 4.28 1dj2B1 SER 107 HB2 0.03 -0.04 0.06 -0.04 3.95 3.96 1dj2B1 SER 107 HB3 0.03 0.00 0.07 -0.04 3.93 3.99 1dj2B1 ASN 108 H 0.10 0.19 -0.77 -0.55 8.53 7.50 1dj2B1 ASN 108 HA 0.07 0.11 0.64 -0.75 4.76 4.83 1dj2B1 ASN 108 HB2 0.21 0.21 0.11 -0.04 2.88 3.37 1dj2B1 ASN 108 HB3 0.32 -0.09 0.12 -0.04 2.79 3.09 1dj2B1 ASN 108 HD21 -0.01 -0.06 -0.03 -0.04 7.03 6.89 1dj2B1 ASN 108 HD22 0.04 -0.06 -0.29 -0.04 7.74 7.39 1dj2B1 GLY 109 H 0.07 0.40 -0.72 -0.55 8.43 7.63 1dj2B1 GLY 109 HA2 0.06 -0.02 0.27 -0.51 4.01 3.81 1dj2B1 GLY 109 HA3 0.09 0.13 0.91 -0.51 4.01 4.63 1dj2B1 VAL 110 H 0.05 0.17 -0.12 -0.55 8.24 7.78 1dj2B1 VAL 110 HA -0.01 -0.01 0.37 -0.75 4.13 3.73 1dj2B1 VAL 110 HB -0.05 -0.02 -0.05 -0.04 2.12 1.96 1dj2B1 VAL 110 HG13 -0.06 0.01 -0.26 -0.04 0.97 0.62 1dj2B1 VAL 110 HG23 -0.19 -0.01 -0.03 -0.04 0.95 0.68 1dj2B1 SER 111 H 0.01 0.15 0.20 -0.55 8.46 8.27 1dj2B1 SER 111 HA 0.03 0.04 0.70 -0.75 4.49 4.50 1dj2B1 SER 111 HB2 0.02 -0.09 0.09 -0.04 3.95 3.92 1dj2B1 SER 111 HB3 0.02 0.07 0.14 -0.04 3.93 4.12 1dj2B1 CYS 112 H 0.05 0.19 0.17 -0.55 8.50 8.36 1dj2B1 CYS 112 HA 0.04 0.21 0.44 -0.75 4.58 4.52 1dj2B1 CYS 112 HB2 0.11 -0.02 0.06 -0.04 2.97 3.08 1dj2B1 CYS 112 HB3 0.09 -0.07 0.13 -0.04 2.97 3.08 1dj2B1 LYS 113 H 0.04 0.07 -0.40 -0.55 8.42 7.57 1dj2B1 LYS 113 HA 0.01 -0.01 0.47 -0.75 4.32 4.04 1dj2B1 LYS 113 HB2 -0.00 0.05 0.08 -0.04 1.87 1.96 1dj2B1 LYS 113 HB3 -0.03 0.04 0.00 -0.04 1.79 1.76 1dj2B1 LYS 113 HG2 0.00 0.01 0.01 -0.04 1.46 1.44 1dj2B1 LYS 113 HG3 0.02 -0.09 0.03 -0.04 1.46 1.38 1dj2B1 LYS 113 HD2 -0.00 0.02 0.01 -0.04 1.69 1.68 1dj2B1 LYS 113 HD3 -0.02 0.02 0.00 -0.04 1.68 1.64 1dj2B1 LYS 113 HE2 0.00 -0.01 -0.00 -0.04 2.99 2.94 1dj2B1 LYS 113 HE3 0.01 -0.00 0.01 -0.04 2.99 2.96 1dj2B1 GLY 114 H -0.07 0.13 0.23 -0.55 8.43 8.16 1dj2B1 GLY 114 HA2 -0.06 0.05 0.30 -0.51 4.01 3.79 1dj2B1 GLY 114 HA3 -0.04 0.06 0.38 -0.51 4.01 3.91 1dj2B1 ARG 115 H 0.08 0.22 -0.29 -0.55 8.46 7.92 1dj2B1 ARG 115 HA 0.01 0.21 0.94 -0.75 4.34 4.74 1dj2B1 ARG 115 HB2 0.03 -0.05 -0.08 -0.04 1.90 1.76 1dj2B1 ARG 115 HB3 0.01 0.03 0.14 -0.04 1.80 1.94 1dj2B1 ARG 115 HG2 0.01 0.03 -0.04 -0.04 1.67 1.63 1dj2B1 ARG 115 HG3 0.01 0.06 -0.38 -0.04 1.67 1.32 1dj2B1 ARG 115 HD2 0.01 -0.06 0.04 -0.04 3.22 3.16 1dj2B1 ARG 115 HD3 0.01 0.21 0.06 -0.04 3.22 3.46 1dj2B1 ILE 116 H 0.17 0.07 0.08 -0.55 8.25 8.02 1dj2B1 ILE 116 HA -0.01 0.28 0.98 -0.75 4.18 4.68 1dj2B1 ILE 116 HB -0.02 -0.01 0.19 -0.04 1.89 2.01 1dj2B1 ILE 116 HG12 -0.04 0.04 -0.08 -0.04 1.49 1.37 1dj2B1 ILE 116 HG13 0.03 0.02 -0.10 -0.04 1.21 1.12 1dj2B1 ILE 116 HG23 -0.19 -0.03 -0.20 -0.04 0.93 0.47 1dj2B1 ILE 116 HD13 -0.08 -0.02 -0.02 -0.04 0.88 0.71 1dj2B1 LEU 117 H -0.03 0.87 0.25 -0.55 8.37 8.91 1dj2B1 LEU 117 HA 0.00 0.31 0.79 -0.75 4.35 4.70 1dj2B1 LEU 117 HB2 -0.13 -0.10 0.16 -0.04 1.64 1.53 1dj2B1 LEU 117 HB3 -0.19 -0.07 -0.05 -0.04 1.64 1.30 1dj2B1 LEU 117 HG -0.18 0.11 -0.19 -0.04 1.64 1.34 1dj2B1 LEU 117 HD13 -0.89 -0.02 -0.13 -0.04 0.93 -0.15 1dj2B1 LEU 117 HD23 -0.16 0.02 -0.20 -0.04 0.89 0.51 1dj2B1 VAL 118 H 0.03 0.61 0.08 -0.55 8.24 8.41 1dj2B1 VAL 118 HA -0.04 0.11 1.02 -0.75 4.13 4.46 1dj2B1 VAL 118 HB 0.01 0.00 -0.08 -0.04 2.12 2.01 1dj2B1 VAL 118 HG13 -0.07 0.01 -0.17 -0.04 0.97 0.70 1dj2B1 VAL 118 HG23 -0.16 0.01 -0.17 -0.04 0.95 0.60 1dj2B1 SER 119 H -0.01 0.66 0.28 -0.55 8.46 8.84 1dj2B1 SER 119 HA 0.01 0.19 0.55 -0.75 4.49 4.49 1dj2B1 SER 119 HB2 0.02 0.07 0.16 -0.04 3.95 4.16 1dj2B1 SER 119 HB3 0.01 0.24 -0.02 -0.04 3.93 4.12 1dj2B1 ASP 120 H 0.02 0.22 0.30 -0.55 8.40 8.38 1dj2B1 ASP 120 HA -0.00 0.14 0.62 -0.75 4.63 4.64 1dj2B1 ASP 120 HB2 0.01 -0.06 0.13 -0.04 2.71 2.76 1dj2B1 ASP 120 HB3 0.02 0.12 0.01 -0.04 2.70 2.81 1dj2B1 ARG 121 H 0.02 -0.01 -0.13 -0.55 8.46 7.79 1dj2B1 ARG 121 HA -0.01 0.17 0.80 -0.75 4.34 4.54 1dj2B1 ARG 121 HB2 0.04 -0.05 0.05 -0.04 1.90 1.90 1dj2B1 ARG 121 HB3 0.04 0.10 0.12 -0.04 1.80 2.02 1dj2B1 ARG 121 HG2 0.03 0.07 -0.05 -0.04 1.67 1.68 1dj2B1 ARG 121 HG3 0.04 -0.16 0.01 -0.04 1.67 1.52 1dj2B1 ARG 121 HD2 0.05 0.01 0.01 -0.04 3.22 3.24 1dj2B1 ARG 121 HD3 0.04 0.08 0.01 -0.04 3.22 3.31 1dj2B1 ALA 122 H -0.00 0.04 -0.30 -0.55 8.40 7.59 1dj2B1 ALA 122 HA 0.07 0.48 0.70 -0.75 4.34 4.83 1dj2B1 ALA 122 HB3 -0.01 0.06 0.08 -0.04 1.41 1.49 1dj2B1 HIS 123 H 0.12 0.43 0.26 -0.55 8.41 8.68 1dj2B1 HIS 123 HA -0.03 0.11 0.83 -0.75 4.63 4.80 1dj2B1 HIS 123 HB2 -0.16 0.02 0.07 -0.04 3.26 3.15 1dj2B1 HIS 123 HB3 -0.09 -0.02 -0.08 -0.04 3.20 2.96 1dj2B1 HIS 123 HD2 -0.02 0.13 0.02 -0.04 6.97 7.06 1dj2B1 HIS 123 HE1 0.03 0.06 -0.09 -0.04 7.75 7.71 1dj2B1 LEU 124 H -0.00 0.72 0.29 -0.55 8.37 8.82 1dj2B1 LEU 124 HA -0.18 0.26 0.79 -0.75 4.35 4.46 1dj2B1 LEU 124 HB2 -0.17 0.05 0.06 -0.04 1.64 1.54 1dj2B1 LEU 124 HB3 -0.85 -0.08 -0.11 -0.04 1.64 0.56 1dj2B1 LEU 124 HG -0.08 -0.01 -0.44 -0.04 1.64 1.07 1dj2B1 LEU 124 HD13 -0.07 -0.01 -0.13 -0.04 0.93 0.68 1dj2B1 LEU 124 HD23 -0.14 -0.01 -0.12 -0.04 0.89 0.59 1dj2B1 LEU 125 H -0.16 0.63 -0.01 -0.55 8.37 8.29 1dj2B1 LEU 125 HA -0.10 0.04 0.63 -0.75 4.35 4.16 1dj2B1 LEU 125 HB2 -0.15 0.02 -0.14 -0.04 1.64 1.33 1dj2B1 LEU 125 HB3 -0.02 -0.07 -0.19 -0.04 1.64 1.33 1dj2B1 LEU 125 HG -0.01 0.02 -0.22 -0.04 1.64 1.40 1dj2B1 LEU 125 HD13 -0.20 -0.03 -0.03 -0.04 0.93 0.63 1dj2B1 LEU 125 HD23 -0.12 0.02 -0.08 -0.04 0.89 0.67 1dj2B1 PHE 126 H 0.67 0.14 0.16 -0.55 8.34 8.75 1dj2B1 PHE 126 HA 0.25 0.22 0.79 -0.75 4.62 5.12 1dj2B1 PHE 126 HB2 -0.05 -0.02 0.11 -0.04 3.15 3.14 1dj2B1 PHE 126 HB3 0.31 -0.13 0.17 -0.04 3.06 3.37 1dj2B1 PHE 126 HD2 0.02 -0.01 0.06 -0.04 7.28 7.30 1dj2B1 PHE 126 HE2 -0.53 0.02 0.03 -0.04 7.38 6.86 1dj2B1 PHE 126 HZ -0.18 0.04 -0.06 -0.04 7.32 7.09 1dj2B1 ASP 127 H 0.51 0.21 0.19 -0.55 8.40 8.75 1dj2B1 ASP 127 HA 0.26 0.15 0.45 -0.75 4.63 4.74 1dj2B1 ASP 127 HB2 0.35 -0.01 0.13 -0.04 2.71 3.13 1dj2B1 ASP 127 HB3 0.24 0.08 0.05 -0.04 2.70 3.03 1dj2B1 PHE 128 H 0.45 0.09 -0.13 -0.55 8.34 8.19 1dj2B1 PHE 128 HA 0.20 0.14 0.49 -0.75 4.62 4.70 1dj2B1 PHE 128 HB2 0.06 0.10 0.03 -0.04 3.15 3.29 1dj2B1 PHE 128 HB3 0.14 0.01 0.06 -0.04 3.06 3.23 1dj2B1 PHE 128 HD2 -0.25 -0.04 -0.11 -0.04 7.28 6.84 1dj2B1 PHE 128 HE2 -0.44 0.05 -0.04 -0.04 7.38 6.91 1dj2B1 PHE 128 HZ -0.55 0.06 -0.03 -0.04 7.32 6.75 1dj2B1 HIS 129 H -0.68 0.11 -0.41 -0.55 8.41 6.88 1dj2B1 HIS 129 HA -0.58 0.08 0.43 -0.75 4.63 3.80 1dj2B1 HIS 129 HB2 -0.30 0.30 0.12 -0.04 3.26 3.35 1dj2B1 HIS 129 HB3 -0.24 0.06 -0.02 -0.04 3.20 2.95 1dj2B1 HIS 129 HD2 -0.25 -0.06 -0.13 -0.04 6.97 6.48 1dj2B1 HIS 129 HE1 0.24 0.08 0.10 -0.04 7.75 8.12 1dj2B1 GLN 130 H -0.03 0.27 -0.38 -0.55 8.47 7.79 1dj2B1 GLN 130 HA -0.05 -0.04 0.22 -0.75 4.36 3.74 1dj2B1 GLN 130 HB2 0.00 0.10 0.09 -0.04 2.15 2.30 1dj2B1 GLN 130 HB3 -0.05 0.19 0.00 -0.04 2.02 2.12 1dj2B1 GLN 130 HG2 -0.15 0.29 -0.04 -0.04 2.40 2.46 1dj2B1 GLN 130 HG3 -0.10 0.02 0.01 -0.04 2.39 2.28 1dj2B1 GLN 130 HE21 -0.68 -0.06 0.00 -0.04 6.97 6.19 1dj2B1 GLN 130 HE22 -0.51 0.04 0.03 -0.04 7.69 7.21 1dj2B1 GLU 131 H 0.04 0.28 -0.12 -0.55 8.60 8.26 1dj2B1 GLU 131 HA 0.03 0.10 0.53 -0.75 4.29 4.20 1dj2B1 GLU 131 HB2 0.17 0.04 0.12 -0.04 2.09 2.38 1dj2B1 GLU 131 HB3 0.25 0.04 0.11 -0.04 1.99 2.34 1dj2B1 GLU 131 HG2 0.20 -0.00 -0.10 -0.04 2.34 2.39 1dj2B1 GLU 131 HG3 0.10 0.01 0.06 -0.04 2.34 2.47 1dj2B1 VAL 132 H -0.07 0.50 -0.20 -0.55 8.24 7.92 1dj2B1 VAL 132 HA -0.29 0.08 0.44 -0.75 4.13 3.60 1dj2B1 VAL 132 HB -0.09 0.02 0.15 -0.04 2.12 2.16 1dj2B1 VAL 132 HG13 0.11 -0.01 -0.14 -0.04 0.97 0.89 1dj2B1 VAL 132 HG23 -0.21 0.03 0.03 -0.04 0.95 0.76 1dj2B1 ASP 133 H -0.08 0.41 -0.22 -0.55 8.40 7.96 1dj2B1 ASP 133 HA -0.05 0.04 0.41 -0.75 4.63 4.28 1dj2B1 ASP 133 HB2 -0.04 0.12 0.18 -0.04 2.71 2.93 1dj2B1 ASP 133 HB3 -0.04 0.12 0.05 -0.04 2.70 2.79 1dj2B1 GLY 134 H -0.08 0.37 -0.35 -0.55 8.43 7.83 1dj2B1 GLY 134 HA2 -0.04 0.01 0.48 -0.51 4.01 3.95 1dj2B1 GLY 134 HA3 -0.05 0.14 0.29 -0.51 4.01 3.88 1dj2B1 LEU 135 H -0.24 0.35 -0.26 -0.55 8.37 7.67 1dj2B1 LEU 135 HA -0.14 0.06 0.48 -0.75 4.35 4.00 1dj2B1 LEU 135 HB2 -0.96 0.14 0.11 -0.04 1.64 0.88 1dj2B1 LEU 135 HB3 -0.47 -0.06 0.05 -0.04 1.64 1.12 1dj2B1 LEU 135 HG -0.13 0.39 0.09 -0.04 1.64 1.95 1dj2B1 LEU 135 HD13 -0.01 -0.05 -0.12 -0.04 0.93 0.71 1dj2B1 LEU 135 HD23 -0.01 -0.02 -0.05 -0.04 0.89 0.78 1dj2B1 ARG 136 H -0.25 0.29 -0.42 -0.55 8.46 7.53 1dj2B1 ARG 136 HA 0.07 0.14 0.65 -0.75 4.34 4.45 1dj2B1 ARG 136 HB2 0.06 0.03 0.06 -0.04 1.90 2.00 1dj2B1 ARG 136 HB3 -0.00 0.09 0.08 -0.04 1.80 1.93 1dj2B1 ARG 136 HG2 0.08 -0.03 -0.03 -0.04 1.67 1.64 1dj2B1 ARG 136 HG3 0.20 0.03 0.05 -0.04 1.67 1.91 1dj2B1 ARG 136 HD2 0.07 -0.05 -0.01 -0.04 3.22 3.20 1dj2B1 ARG 136 HD3 0.09 0.00 -0.01 -0.04 3.22 3.27 1dj2B1 GLU 137 H -0.05 0.24 -0.17 -0.55 8.60 8.07 1dj2B1 GLU 137 HA 0.04 0.01 0.58 -0.75 4.29 4.17 1dj2B1 GLU 137 HB2 0.01 -0.04 0.20 -0.04 2.09 2.23 1dj2B1 GLU 137 HB3 -0.01 0.15 0.16 -0.04 1.99 2.25 1dj2B1 GLU 137 HG2 0.03 0.04 -0.02 -0.04 2.34 2.35 1dj2B1 GLU 137 HG3 0.12 -0.08 0.11 -0.04 2.34 2.44 1dj2B1 SER 138 H -0.03 0.29 -0.21 -0.55 8.46 7.96 1dj2B1 SER 138 HA -0.03 0.12 0.50 -0.75 4.49 4.32 1dj2B1 SER 138 HB2 -0.01 -0.01 0.16 -0.04 3.95 4.04 1dj2B1 SER 138 HB3 -0.02 -0.03 0.09 -0.04 3.93 3.93 1dj2B1 GLU 139 H 0.03 0.11 -0.95 -0.55 8.60 7.24 1dj2B1 GLU 139 HA 0.04 0.15 0.83 -0.75 4.29 4.55 1dj2B1 GLU 139 HB2 0.08 0.14 0.07 -0.04 2.09 2.34 1dj2B1 GLU 139 HB3 0.07 -0.07 0.08 -0.04 1.99 2.03 1dj2B1 GLU 139 HG2 0.08 0.00 -0.08 -0.04 2.34 2.29 1dj2B1 GLU 139 HG3 0.07 0.11 -0.09 -0.04 2.34 2.39 1dj2B1 LEU 140 H 0.04 0.15 -0.05 -0.55 8.37 7.97 1dj2B1 LEU 140 HA 0.06 -0.01 0.46 -0.75 4.35 4.10 1dj2B1 LEU 140 HB2 0.11 0.17 0.18 -0.04 1.64 2.06 1dj2B1 LEU 140 HB3 0.13 -0.10 -0.05 -0.04 1.64 1.59 1dj2B1 LEU 140 HG 0.06 0.23 0.15 -0.04 1.64 2.03 1dj2B1 LEU 140 HD13 0.09 -0.02 0.14 -0.04 0.93 1.10 1dj2B1 LEU 140 HD23 0.03 -0.00 0.01 -0.04 0.89 0.88 1dj2B1 ALA 141 H 0.08 0.00 0.06 -0.55 8.40 8.00 1dj2B1 ALA 141 HA 0.06 0.26 0.64 -0.75 4.34 4.54 1dj2B1 ALA 141 HB3 0.06 -0.01 0.17 -0.04 1.41 1.60 1dj2B1 LYS 142 H 0.10 0.15 0.13 -0.55 8.42 8.24 1dj2B1 LYS 142 HA 0.24 0.18 0.55 -0.75 4.32 4.54 1dj2B1 LYS 142 HB2 0.09 -0.01 0.05 -0.04 1.87 1.96 1dj2B1 LYS 142 HB3 0.11 0.04 0.15 -0.04 1.79 2.04 1dj2B1 LYS 142 HG2 0.07 -0.05 0.07 -0.04 1.46 1.51 1dj2B1 LYS 142 HG3 0.06 0.02 0.04 -0.04 1.46 1.54 1dj2B1 LYS 142 HD2 0.08 0.02 0.03 -0.04 1.69 1.78 1dj2B1 LYS 142 HD3 0.09 0.05 -0.09 -0.04 1.68 1.69 1dj2B1 LYS 142 HE2 0.04 -0.01 -0.02 -0.04 2.99 2.95 1dj2B1 LYS 142 HE3 0.04 -0.01 0.00 -0.04 2.99 2.98 1dj2B1 SER 143 H 0.17 -0.05 -0.51 -0.55 8.46 7.51 1dj2B1 SER 143 HA 0.21 0.25 0.78 -0.75 4.49 4.98 1dj2B1 SER 143 HB2 0.18 0.03 0.13 -0.04 3.95 4.25 1dj2B1 SER 143 HB3 0.25 0.03 -0.02 -0.04 3.93 4.14 1dj2B1 PHE 144 H 0.42 0.23 -0.44 -0.55 8.34 8.00 1dj2B1 PHE 144 HA 0.03 -0.01 0.52 -0.75 4.62 4.41 1dj2B1 PHE 144 HB2 0.03 0.00 0.08 -0.04 3.15 3.22 1dj2B1 PHE 144 HB3 0.03 0.13 0.02 -0.04 3.06 3.21 1dj2B1 PHE 144 HD2 0.04 0.08 -0.10 -0.04 7.28 7.26 1dj2B1 PHE 144 HE2 0.02 -0.02 -0.02 -0.04 7.38 7.32 1dj2B1 PHE 144 HZ 0.01 -0.02 -0.02 -0.04 7.32 7.25 1dj2B1 ILE 145 H 0.11 0.06 0.19 -0.55 8.25 8.06 1dj2B1 ILE 145 HA 0.05 0.16 0.54 -0.75 4.18 4.17 1dj2B1 ILE 145 HB 0.03 -0.25 0.18 -0.04 1.89 1.80 1dj2B1 ILE 145 HG12 0.01 -0.01 0.10 -0.04 1.49 1.55 1dj2B1 ILE 145 HG13 0.06 0.03 0.20 -0.04 1.21 1.45 1dj2B1 ILE 145 HG23 -0.07 0.04 0.11 -0.04 0.93 0.97 1dj2B1 ILE 145 HD13 0.06 -0.03 -0.02 -0.04 0.88 0.84 1dj2B1 GLY 146 H 0.04 0.12 0.18 -0.55 8.43 8.21 1dj2B1 GLY 146 HA2 0.05 0.26 0.62 -0.51 4.01 4.43 1dj2B1 GLY 146 HA3 0.02 -0.01 0.31 -0.51 4.01 3.82 1dj2B1 THR 147 H 0.04 0.01 -0.15 -0.55 8.28 7.63 1dj2B1 THR 147 HA 0.03 0.08 0.47 -0.75 4.39 4.21 1dj2B1 THR 147 HB 0.02 0.04 0.15 -0.04 4.32 4.49 1dj2B1 THR 147 HG23 0.01 -0.09 -0.04 -0.04 1.22 1.06 1dj2B1 THR 148 H 0.03 0.20 0.17 -0.55 8.28 8.13 1dj2B1 THR 148 HA 0.04 0.18 0.52 -0.75 4.39 4.37 1dj2B1 THR 148 HB 0.02 0.04 0.13 -0.04 4.32 4.47 1dj2B1 THR 148 HG23 0.05 0.05 0.00 -0.04 1.22 1.27 1dj2B1 LYS 149 H 0.01 0.47 0.03 -0.55 8.42 8.39 1dj2B1 LYS 149 HA -0.02 -0.07 0.25 -0.75 4.32 3.73 1dj2B1 LYS 149 HB2 -0.01 0.17 0.01 -0.04 1.87 2.00 1dj2B1 LYS 149 HB3 -0.02 0.12 0.20 -0.04 1.79 2.05 1dj2B1 LYS 149 HG2 -0.02 -0.08 0.08 -0.04 1.46 1.40 1dj2B1 LYS 149 HG3 0.00 -0.01 -0.15 -0.04 1.46 1.26 1dj2B1 LYS 149 HD2 -0.01 0.00 0.02 -0.04 1.69 1.67 1dj2B1 LYS 149 HD3 -0.01 0.04 -0.01 -0.04 1.68 1.65 1dj2B1 LYS 149 HE2 0.00 0.02 -0.05 -0.04 2.99 2.92 1dj2B1 LYS 149 HE3 0.01 -0.00 -0.03 -0.04 2.99 2.92 1dj2B1 ARG 150 H -0.01 -0.03 -0.30 -0.55 8.46 7.56 1dj2B1 ARG 150 HA -0.06 0.25 0.54 -0.75 4.34 4.31 1dj2B1 ARG 150 HB2 -0.01 0.11 -0.05 -0.04 1.90 1.91 1dj2B1 ARG 150 HB3 -0.01 -0.19 0.04 -0.04 1.80 1.60 1dj2B1 ARG 150 HG2 -0.01 -0.04 -0.04 -0.04 1.67 1.54 1dj2B1 ARG 150 HG3 -0.05 -0.09 -0.19 -0.04 1.67 1.30 1dj2B1 ARG 150 HD2 -0.06 -0.13 -0.10 -0.04 3.22 2.89 1dj2B1 ARG 150 HD3 -0.10 0.09 0.06 -0.04 3.22 3.22 1dj2B1 GLY 151 H -0.03 -0.00 -0.00 -0.55 8.43 7.84 1dj2B1 GLY 151 HA2 -0.05 0.07 0.26 -0.51 4.01 3.78 1dj2B1 GLY 151 HA3 -0.07 0.22 0.34 -0.51 4.01 3.98 1dj2B1 ILE 152 H -0.02 0.03 -0.02 -0.55 8.25 7.69 1dj2B1 ILE 152 HA -0.04 0.15 0.38 -0.75 4.18 3.91 1dj2B1 ILE 152 HB 0.04 -0.01 0.11 -0.04 1.89 2.00 1dj2B1 ILE 152 HG12 -0.00 -0.03 -0.04 -0.04 1.49 1.38 1dj2B1 ILE 152 HG13 0.04 0.01 0.01 -0.04 1.21 1.22 1dj2B1 ILE 152 HG23 0.22 0.02 -0.07 -0.04 0.93 1.05 1dj2B1 ILE 152 HD13 -0.01 -0.00 -0.08 -0.04 0.88 0.75 1dj2B1 GLY 153 H 0.01 0.03 -0.05 -0.55 8.43 7.87 1dj2B1 GLY 153 HA2 0.07 0.09 0.39 -0.51 4.01 4.05 1dj2B1 GLY 153 HA3 0.02 0.12 0.29 -0.51 4.01 3.93 1dj2B1 PRO 154 HA 0.06 0.10 0.42 -0.51 4.44 4.52 1dj2B1 PRO 154 HB2 0.04 0.06 0.04 -0.04 2.28 2.38 1dj2B1 PRO 154 HB3 0.17 0.05 0.06 -0.04 2.02 2.26 1dj2B1 PRO 154 HG2 -0.00 0.10 0.09 -0.04 2.03 2.18 1dj2B1 PRO 154 HG3 0.05 0.11 -0.01 -0.04 2.03 2.14 1dj2B1 PRO 154 HD2 -0.03 -0.05 -0.30 -0.04 3.68 3.26 1dj2B1 PRO 154 HD3 0.01 0.06 0.08 -0.04 3.65 3.75 1dj2B1 ALA 155 H -0.26 0.38 -0.35 -0.55 8.40 7.63 1dj2B1 ALA 155 HA -0.89 0.03 0.47 -0.75 4.34 3.20 1dj2B1 ALA 155 HB3 -0.43 0.04 0.05 -0.04 1.41 1.03 1dj2B1 TYR 156 H -0.05 0.47 -0.02 -0.55 8.29 8.15 1dj2B1 TYR 156 HA -0.14 0.05 0.45 -0.75 4.56 4.17 1dj2B1 TYR 156 HB2 -0.07 0.07 0.11 -0.04 3.06 3.13 1dj2B1 TYR 156 HB3 -0.07 0.04 0.04 -0.04 2.98 2.95 1dj2B1 TYR 156 HD2 -0.09 0.11 0.01 -0.04 7.15 7.14 1dj2B1 TYR 156 HE2 -0.05 -0.00 -0.01 -0.04 6.85 6.75 1dj2B1 SER 157 H 0.03 0.27 -0.50 -0.55 8.46 7.72 1dj2B1 SER 157 HA 0.05 0.05 0.46 -0.75 4.49 4.30 1dj2B1 SER 157 HB2 0.05 0.06 0.06 -0.04 3.95 4.08 1dj2B1 SER 157 HB3 0.07 0.14 0.20 -0.04 3.93 4.30 1dj2B1 SER 158 H 0.06 0.56 -0.05 -0.55 8.46 8.48 1dj2B1 SER 158 HA 0.10 0.03 0.32 -0.75 4.49 4.19 1dj2B1 SER 158 HB2 0.16 0.16 0.19 -0.04 3.95 4.42 1dj2B1 SER 158 HB3 0.21 -0.11 -0.01 -0.04 3.93 3.99 1dj2B1 LYS 159 H -0.06 0.41 -0.23 -0.55 8.42 7.98 1dj2B1 LYS 159 HA -0.12 -0.01 0.39 -0.75 4.32 3.83 1dj2B1 LYS 159 HB2 -0.57 -0.00 0.08 -0.04 1.87 1.33 1dj2B1 LYS 159 HB3 -0.14 0.12 0.17 -0.04 1.79 1.89 1dj2B1 LYS 159 HG2 -0.17 0.03 -0.24 -0.04 1.46 1.04 1dj2B1 LYS 159 HG3 -0.90 -0.01 -0.02 -0.04 1.46 0.49 1dj2B1 LYS 159 HD2 -0.45 -0.02 -0.02 -0.04 1.69 1.17 1dj2B1 LYS 159 HD3 0.01 -0.02 0.00 -0.04 1.68 1.63 1dj2B1 LYS 159 HE2 -0.02 -0.02 -0.04 -0.04 2.99 2.88 1dj2B1 LYS 159 HE3 -0.03 0.05 -0.01 -0.04 2.99 2.96 1dj2B1 VAL 160 H -0.01 0.53 -0.09 -0.55 8.24 8.13 1dj2B1 VAL 160 HA 0.00 0.03 0.46 -0.75 4.13 3.87 1dj2B1 VAL 160 HB 0.02 0.14 0.21 -0.04 2.12 2.45 1dj2B1 VAL 160 HG13 0.01 -0.01 -0.14 -0.04 0.97 0.79 1dj2B1 VAL 160 HG23 0.01 -0.02 0.07 -0.04 0.95 0.96 1dj2B1 ILE 161 H 0.03 0.47 -0.18 -0.55 8.25 8.02 1dj2B1 ILE 161 HA 0.02 0.04 0.44 -0.75 4.18 3.93 1dj2B1 ILE 161 HB 0.05 -0.03 0.10 -0.04 1.89 1.97 1dj2B1 ILE 161 HG12 0.03 0.25 0.05 -0.04 1.49 1.79 1dj2B1 ILE 161 HG13 0.03 -0.08 -0.05 -0.04 1.21 1.07 1dj2B1 ILE 161 HG23 0.03 -0.02 -0.05 -0.04 0.93 0.84 1dj2B1 ILE 161 HD13 0.02 -0.01 -0.03 -0.04 0.88 0.82 1dj2B1 ARG 162 H 0.05 0.28 -0.58 -0.55 8.46 7.66 1dj2B1 ARG 162 HA 0.09 0.08 0.35 -0.75 4.34 4.11 1dj2B1 ARG 162 HB2 0.03 0.23 0.11 -0.04 1.90 2.24 1dj2B1 ARG 162 HB3 0.05 -0.10 0.24 -0.04 1.80 1.94 1dj2B1 ARG 162 HG2 0.05 -0.08 0.04 -0.04 1.67 1.64 1dj2B1 ARG 162 HG3 0.04 0.21 -0.21 -0.04 1.67 1.67 1dj2B1 ARG 162 HD2 0.03 -0.08 0.01 -0.04 3.22 3.13 1dj2B1 ARG 162 HD3 0.02 -0.07 -0.00 -0.04 3.22 3.14 1dj2B1 ASN 163 H 0.08 0.25 -0.04 -0.55 8.53 8.27 1dj2B1 ASN 163 HA 0.05 0.24 0.90 -0.75 4.76 5.19 1dj2B1 ASN 163 HB2 0.02 -0.05 0.09 -0.04 2.88 2.90 1dj2B1 ASN 163 HB3 0.03 0.09 -0.15 -0.04 2.79 2.72 1dj2B1 ASN 163 HD21 0.01 -0.04 -0.09 -0.04 7.03 6.88 1dj2B1 ASN 163 HD22 -0.01 -0.01 -0.12 -0.04 7.74 7.57 1dj2B1 GLY 164 H 0.15 0.18 -0.08 -0.55 8.43 8.13 1dj2B1 GLY 164 HA2 0.22 0.02 0.48 -0.51 4.01 4.22 1dj2B1 GLY 164 HA3 0.29 0.00 0.14 -0.51 4.01 3.93 1dj2B1 ILE 165 H 0.32 0.10 0.17 -0.55 8.25 8.29 1dj2B1 ILE 165 HA 0.06 0.20 0.83 -0.75 4.18 4.53 1dj2B1 ILE 165 HB 0.46 -0.06 0.09 -0.04 1.89 2.34 1dj2B1 ILE 165 HG12 0.03 0.07 -0.10 -0.04 1.49 1.45 1dj2B1 ILE 165 HG13 0.06 -0.01 -0.09 -0.04 1.21 1.13 1dj2B1 ILE 165 HG23 0.12 0.06 -0.05 -0.04 0.93 1.02 1dj2B1 ILE 165 HD13 -0.22 -0.02 -0.12 -0.04 0.88 0.47 1dj2B1 ARG 166 H -0.04 0.12 0.14 -0.55 8.46 8.13 1dj2B1 ARG 166 HA -0.22 0.20 0.92 -0.75 4.34 4.48 1dj2B1 ARG 166 HB2 -0.09 -0.12 0.07 -0.04 1.90 1.71 1dj2B1 ARG 166 HB3 -0.18 0.14 0.03 -0.04 1.80 1.75 1dj2B1 ARG 166 HG2 -0.95 -0.01 -0.32 -0.04 1.67 0.34 1dj2B1 ARG 166 HG3 -0.21 0.00 -0.07 -0.04 1.67 1.35 1dj2B1 ARG 166 HD2 -0.24 0.29 -0.08 -0.04 3.22 3.15 1dj2B1 ARG 166 HD3 -0.17 0.01 -0.06 -0.04 3.22 2.96 1dj2B1 VAL 167 H -0.07 0.66 0.12 -0.55 8.24 8.39 1dj2B1 VAL 167 HA -0.01 0.03 0.42 -0.75 4.13 3.81 1dj2B1 VAL 167 HB -0.02 -0.06 0.23 -0.04 2.12 2.23 1dj2B1 VAL 167 HG13 0.00 0.00 -0.18 -0.04 0.97 0.76 1dj2B1 VAL 167 HG23 -0.06 0.08 -0.07 -0.04 0.95 0.86 1dj2B1 GLY 168 H -0.01 0.57 0.10 -0.55 8.43 8.54 1dj2B1 GLY 168 HA2 0.00 0.09 0.48 -0.51 4.01 4.08 1dj2B1 GLY 168 HA3 0.02 0.08 0.33 -0.51 4.01 3.93 1dj2B1 ASP 169 H 0.02 0.24 -0.62 -0.55 8.40 7.50 1dj2B1 ASP 169 HA 0.14 0.08 0.44 -0.75 4.63 4.53 1dj2B1 ASP 169 HB2 0.06 0.27 0.06 -0.04 2.71 3.05 1dj2B1 ASP 169 HB3 0.08 -0.02 0.08 -0.04 2.70 2.80 1dj2B1 LEU 170 H 0.04 0.45 -0.52 -0.55 8.37 7.80 1dj2B1 LEU 170 HA 0.09 0.04 0.46 -0.75 4.35 4.18 1dj2B1 LEU 170 HB2 0.06 0.21 0.10 -0.04 1.64 1.96 1dj2B1 LEU 170 HB3 0.10 -0.06 0.09 -0.04 1.64 1.73 1dj2B1 LEU 170 HG 0.09 0.06 0.05 -0.04 1.64 1.80 1dj2B1 LEU 170 HD13 0.14 -0.01 -0.01 -0.04 0.93 1.00 1dj2B1 LEU 170 HD23 0.23 -0.01 -0.02 -0.04 0.89 1.05 1dj2B1 ARG 171 H -0.08 0.37 -0.40 -0.55 8.46 7.80 1dj2B1 ARG 171 HA -0.10 0.13 0.57 -0.75 4.34 4.19 1dj2B1 ARG 171 HB2 -0.37 0.14 0.08 -0.04 1.90 1.71 1dj2B1 ARG 171 HB3 -0.28 -0.03 0.14 -0.04 1.80 1.59 1dj2B1 ARG 171 HG2 -0.06 0.03 0.02 -0.04 1.67 1.62 1dj2B1 ARG 171 HG3 -0.05 -0.05 -0.01 -0.04 1.67 1.52 1dj2B1 ARG 171 HD2 -0.05 0.01 0.08 -0.04 3.22 3.21 1dj2B1 ARG 171 HD3 -0.07 -0.03 0.04 -0.04 3.22 3.12 1dj2B1 HIS 172 H -0.03 0.35 -0.67 -0.55 8.41 7.52 1dj2B1 HIS 172 HA 0.03 0.17 0.85 -0.75 4.63 4.93 1dj2B1 HIS 172 HB2 0.02 0.06 0.20 -0.04 3.26 3.51 1dj2B1 HIS 172 HB3 0.02 -0.09 0.15 -0.04 3.20 3.24 1dj2B1 HIS 172 HD2 0.02 -0.00 -0.03 -0.04 6.97 6.91 1dj2B1 HIS 172 HE1 0.02 0.01 -0.03 -0.04 7.75 7.70 1dj2B1 MET 173 H 0.05 0.30 -0.12 -0.55 8.47 8.16 1dj2B1 MET 173 HA 0.07 0.09 0.51 -0.75 4.52 4.44 1dj2B1 MET 173 HB2 0.04 0.01 0.05 -0.04 2.15 2.21 1dj2B1 MET 173 HB3 0.05 0.00 0.08 -0.04 2.03 2.12 1dj2B1 MET 173 HG2 0.04 0.11 0.04 -0.04 2.63 2.78 1dj2B1 MET 173 HG3 0.04 0.00 0.06 -0.04 2.56 2.63 1dj2B1 MET 173 HE3 0.08 -0.01 0.06 -0.04 2.10 2.19 1dj2B1 ASP 174 H 0.08 0.05 -0.41 -0.55 8.40 7.58 1dj2B1 ASP 174 HA 0.04 0.14 0.55 -0.75 4.63 4.61 1dj2B1 ASP 174 HB2 0.03 0.04 -0.01 -0.04 2.71 2.73 1dj2B1 ASP 174 HB3 0.04 0.03 0.06 -0.04 2.70 2.79 1dj2B1 THR 175 H 0.07 0.26 -0.09 -0.55 8.28 7.97 1dj2B1 THR 175 HA 0.02 0.19 0.85 -0.75 4.39 4.69 1dj2B1 THR 175 HB 0.01 -0.02 0.11 -0.04 4.32 4.38 1dj2B1 THR 175 HG23 -0.01 -0.00 -0.04 -0.04 1.22 1.13 1dj2B1 LEU 176 H 0.06 0.24 -0.11 -0.55 8.37 8.02 1dj2B1 LEU 176 HA 0.04 0.03 0.37 -0.75 4.35 4.03 1dj2B1 LEU 176 HB2 0.08 0.17 0.12 -0.04 1.64 1.97 1dj2B1 LEU 176 HB3 0.06 0.11 0.09 -0.04 1.64 1.86 1dj2B1 LEU 176 HG 0.05 -0.10 -0.16 -0.04 1.64 1.39 1dj2B1 LEU 176 HD13 0.09 0.01 -0.05 -0.04 0.93 0.94 1dj2B1 LEU 176 HD23 0.14 0.01 -0.04 -0.04 0.89 0.96 1dj2B1 PRO 177 HA -0.00 0.02 0.50 -0.51 4.44 4.45 1dj2B1 PRO 177 HB2 0.01 0.02 -0.06 -0.04 2.28 2.21 1dj2B1 PRO 177 HB3 0.02 0.01 0.06 -0.04 2.02 2.07 1dj2B1 PRO 177 HG2 0.02 0.05 -0.09 -0.04 2.03 1.97 1dj2B1 PRO 177 HG3 0.02 0.09 0.01 -0.04 2.03 2.12 1dj2B1 PRO 177 HD2 0.03 -0.03 -0.50 -0.04 3.68 3.15 1dj2B1 PRO 177 HD3 0.04 0.20 0.07 -0.04 3.65 3.92 1dj2B1 GLN 178 H 0.00 0.28 -0.47 -0.55 8.47 7.74 1dj2B1 GLN 178 HA -0.01 0.03 0.51 -0.75 4.36 4.14 1dj2B1 GLN 178 HB2 0.00 -0.00 0.11 -0.04 2.15 2.21 1dj2B1 GLN 178 HB3 0.00 0.29 0.21 -0.04 2.02 2.49 1dj2B1 GLN 178 HG2 -0.00 -0.00 0.00 -0.04 2.40 2.36 1dj2B1 GLN 178 HG3 -0.01 0.01 -0.27 -0.04 2.39 2.08 1dj2B1 GLN 178 HE21 -0.00 -0.01 0.02 -0.04 6.97 6.94 1dj2B1 GLN 178 HE22 -0.00 0.02 0.03 -0.04 7.69 7.70 1dj2B1 LYS 179 H -0.01 0.48 -0.00 -0.55 8.42 8.32 1dj2B1 LYS 179 HA -0.03 0.08 0.49 -0.75 4.32 4.10 1dj2B1 LYS 179 HB2 -0.03 0.08 0.15 -0.04 1.87 2.04 1dj2B1 LYS 179 HB3 -0.03 -0.00 -0.04 -0.04 1.79 1.68 1dj2B1 LYS 179 HG2 0.01 0.04 0.01 -0.04 1.46 1.47 1dj2B1 LYS 179 HG3 0.01 0.07 0.02 -0.04 1.46 1.52 1dj2B1 LYS 179 HD2 0.04 -0.01 -0.07 -0.04 1.69 1.61 1dj2B1 LYS 179 HD3 0.04 -0.05 -0.01 -0.04 1.68 1.61 1dj2B1 LYS 179 HE2 0.06 -0.05 0.01 -0.04 2.99 2.97 1dj2B1 LYS 179 HE3 0.03 0.05 -0.01 -0.04 2.99 3.02 1dj2B1 LEU 180 H -0.09 0.58 -0.11 -0.55 8.37 8.21 1dj2B1 LEU 180 HA -0.33 -0.03 0.42 -0.75 4.35 3.66 1dj2B1 LEU 180 HB2 -0.08 0.10 0.20 -0.04 1.64 1.81 1dj2B1 LEU 180 HB3 -0.12 -0.03 -0.07 -0.04 1.64 1.38 1dj2B1 LEU 180 HG -0.08 -0.01 -0.06 -0.04 1.64 1.45 1dj2B1 LEU 180 HD13 -0.49 -0.03 0.01 -0.04 0.93 0.38 1dj2B1 LEU 180 HD23 -0.14 0.02 -0.07 -0.04 0.89 0.66 1dj2B1 ASP 181 H -0.06 0.52 -0.23 -0.55 8.40 8.08 1dj2B1 ASP 181 HA 0.00 -0.04 0.36 -0.75 4.63 4.19 1dj2B1 ASP 181 HB2 0.01 0.08 0.16 -0.04 2.71 2.91 1dj2B1 ASP 181 HB3 -0.02 0.18 0.15 -0.04 2.70 2.97 1dj2B1 LEU 182 H -0.08 0.41 -0.25 -0.55 8.37 7.90 1dj2B1 LEU 182 HA -0.07 0.01 0.39 -0.75 4.35 3.92 1dj2B1 LEU 182 HB2 -0.06 0.20 0.21 -0.04 1.64 1.94 1dj2B1 LEU 182 HB3 -0.05 -0.01 -0.01 -0.04 1.64 1.52 1dj2B1 LEU 182 HG -0.03 -0.05 0.04 -0.04 1.64 1.57 1dj2B1 LEU 182 HD13 -0.02 0.04 0.06 -0.04 0.93 0.96 1dj2B1 LEU 182 HD23 -0.02 0.00 0.03 -0.04 0.89 0.87 1dj2B1 LEU 183 H -0.20 0.52 -0.02 -0.55 8.37 8.12 1dj2B1 LEU 183 HA -0.17 0.03 0.44 -0.75 4.35 3.90 1dj2B1 LEU 183 HB2 -0.49 0.11 0.18 -0.04 1.64 1.40 1dj2B1 LEU 183 HB3 -0.65 -0.13 -0.02 -0.04 1.64 0.79 1dj2B1 LEU 183 HG -0.09 0.26 0.09 -0.04 1.64 1.86 1dj2B1 LEU 183 HD13 0.01 -0.07 0.05 -0.04 0.93 0.88 1dj2B1 LEU 183 HD23 0.13 -0.03 -0.10 -0.04 0.89 0.84 1dj2B1 LEU 184 H -0.47 0.67 -0.16 -0.55 8.37 7.87 1dj2B1 LEU 184 HA -0.73 -0.03 0.50 -0.75 4.35 3.34 1dj2B1 LEU 184 HB2 -0.48 0.15 0.06 -0.04 1.64 1.33 1dj2B1 LEU 184 HB3 -1.07 -0.06 -0.01 -0.04 1.64 0.45 1dj2B1 LEU 184 HG -0.55 0.15 0.02 -0.04 1.64 1.22 1dj2B1 LEU 184 HD13 0.01 -0.02 -0.10 -0.04 0.93 0.78 1dj2B1 LEU 184 HD23 -0.44 -0.03 -0.04 -0.04 0.89 0.33 1dj2B1 SER 185 H -0.26 0.55 -0.16 -0.55 8.46 8.05 1dj2B1 SER 185 HA -0.10 0.01 0.48 -0.75 4.49 4.14 1dj2B1 SER 185 HB2 -0.03 0.11 0.09 -0.04 3.95 4.08 1dj2B1 SER 185 HB3 -0.07 0.09 0.16 -0.04 3.93 4.08 1dj2B1 ASP 186 H -0.16 0.65 -0.06 -0.55 8.40 8.29 1dj2B1 ASP 186 HA -0.06 0.03 0.38 -0.75 4.63 4.23 1dj2B1 ASP 186 HB2 -0.06 0.07 0.12 -0.04 2.71 2.80 1dj2B1 ASP 186 HB3 -0.09 0.10 0.16 -0.04 2.70 2.83 1dj2B1 ALA 187 H -0.23 0.43 -0.21 -0.55 8.40 7.84 1dj2B1 ALA 187 HA -0.07 -0.00 0.39 -0.75 4.34 3.91 1dj2B1 ALA 187 HB3 -0.50 -0.00 0.06 -0.04 1.41 0.92 1dj2B1 ALA 188 H -0.08 0.42 -0.31 -0.55 8.40 7.89 1dj2B1 ALA 188 HA 0.39 0.13 0.59 -0.75 4.34 4.70 1dj2B1 ALA 188 HB3 0.19 -0.01 0.08 -0.04 1.41 1.63 1dj2B1 ALA 189 H 0.00 0.57 -0.10 -0.55 8.40 8.32 1dj2B1 ALA 189 HA 0.03 0.01 0.42 -0.75 4.34 4.04 1dj2B1 ALA 189 HB3 -0.01 -0.01 0.08 -0.04 1.41 1.42 1dj2B1 ARG 190 H -0.06 0.28 -0.38 -0.55 8.46 7.74 1dj2B1 ARG 190 HA -0.20 0.04 0.50 -0.75 4.34 3.93 1dj2B1 ARG 190 HB2 -0.19 0.03 0.08 -0.04 1.90 1.77 1dj2B1 ARG 190 HB3 -0.23 -0.00 0.17 -0.04 1.80 1.70 1dj2B1 ARG 190 HG2 -0.58 -0.07 -0.04 -0.04 1.67 0.94 1dj2B1 ARG 190 HG3 -1.70 -0.01 -0.24 -0.04 1.67 -0.32 1dj2B1 ARG 190 HD2 -0.34 0.05 0.03 -0.04 3.22 2.92 1dj2B1 ARG 190 HD3 -0.24 -0.02 -0.01 -0.04 3.22 2.91 1dj2B1 PHE 191 H 0.03 0.39 0.05 -0.55 8.34 8.27 1dj2B1 PHE 191 HA 0.04 0.11 0.86 -0.75 4.62 4.87 1dj2B1 PHE 191 HB2 0.05 0.06 0.18 -0.04 3.15 3.41 1dj2B1 PHE 191 HB3 0.07 -0.12 0.03 -0.04 3.06 3.00 1dj2B1 PHE 191 HD2 -0.02 0.05 0.03 -0.04 7.28 7.29 1dj2B1 PHE 191 HE2 -0.01 -0.01 -0.08 -0.04 7.38 7.24 1dj2B1 PHE 191 HZ 0.00 -0.04 -0.06 -0.04 7.32 7.19 1dj2B1 GLN 192 H 0.15 0.18 0.17 -0.55 8.47 8.42 1dj2B1 GLN 192 HA 0.12 0.23 0.43 -0.75 4.36 4.39 1dj2B1 GLN 192 HB2 0.07 -0.01 0.05 -0.04 2.15 2.22 1dj2B1 GLN 192 HB3 0.06 0.07 0.10 -0.04 2.02 2.21 1dj2B1 GLN 192 HG2 0.06 0.02 0.04 -0.04 2.40 2.48 1dj2B1 GLN 192 HG3 0.10 -0.03 0.16 -0.04 2.39 2.58 1dj2B1 GLN 192 HE21 0.06 -0.02 -0.13 -0.04 6.97 6.84 1dj2B1 GLN 192 HE22 0.06 0.01 -0.11 -0.04 7.69 7.61 1dj2B1 GLY 193 H 0.20 0.03 -0.22 -0.55 8.43 7.89 1dj2B1 GLY 193 HA2 0.09 0.09 0.40 -0.51 4.01 4.09 1dj2B1 GLY 193 HA3 0.12 -0.01 0.25 -0.51 4.01 3.85 1dj2B1 PHE 194 H 0.33 0.35 -0.54 -0.55 8.34 7.93 1dj2B1 PHE 194 HA 0.07 -0.05 0.43 -0.75 4.62 4.32 1dj2B1 PHE 194 HB2 0.15 -0.06 0.04 -0.04 3.15 3.24 1dj2B1 PHE 194 HB3 0.12 0.23 0.14 -0.04 3.06 3.50 1dj2B1 PHE 194 HD2 0.03 0.02 -0.16 -0.04 7.28 7.13 1dj2B1 PHE 194 HE2 -0.13 -0.03 -0.04 -0.04 7.38 7.14 1dj2B1 PHE 194 HZ 0.01 -0.12 -0.05 -0.04 7.32 7.11 1dj2B1 LYS 195 H -0.13 0.13 0.18 -0.55 8.42 8.05 1dj2B1 LYS 195 HA -0.08 0.11 0.43 -0.75 4.32 4.03 1dj2B1 LYS 195 HB2 -0.13 -0.08 0.21 -0.04 1.87 1.84 1dj2B1 LYS 195 HB3 -0.08 -0.04 0.03 -0.04 1.79 1.66 1dj2B1 LYS 195 HG2 -0.02 -0.04 0.05 -0.04 1.46 1.40 1dj2B1 LYS 195 HG3 -0.02 0.09 0.02 -0.04 1.46 1.51 1dj2B1 LYS 195 HD2 0.00 0.09 0.26 -0.04 1.69 2.00 1dj2B1 LYS 195 HD3 -0.01 -0.10 0.10 -0.04 1.68 1.63 1dj2B1 LYS 195 HE2 0.01 -0.07 0.04 -0.04 2.99 2.94 1dj2B1 LYS 195 HE3 0.03 0.09 0.08 -0.04 2.99 3.15 1dj2B1 TYR 196 H -0.03 0.36 0.25 -0.55 8.29 8.31 1dj2B1 TYR 196 HA -0.32 0.07 0.97 -0.75 4.56 4.52 1dj2B1 TYR 196 HB2 -0.17 0.05 -0.11 -0.04 3.06 2.78 1dj2B1 TYR 196 HB3 -0.04 0.07 0.12 -0.04 2.98 3.09 1dj2B1 TYR 196 HD2 -0.04 -0.01 -0.03 -0.04 7.15 7.03 1dj2B1 TYR 196 HE2 -0.03 -0.04 -0.12 -0.04 6.85 6.63 1dj2B1 THR 197 H -0.14 0.15 0.18 -0.55 8.28 7.91 1dj2B1 THR 197 HA -0.30 0.35 0.91 -0.75 4.39 4.60 1dj2B1 THR 197 HB -0.12 -0.05 0.14 -0.04 4.32 4.25 1dj2B1 THR 197 HG23 -0.09 0.04 -0.18 -0.04 1.22 0.95 1dj2B1 PRO 198 HA -0.19 0.11 0.55 -0.51 4.44 4.40 1dj2B1 PRO 198 HB2 -0.09 0.04 0.03 -0.04 2.28 2.22 1dj2B1 PRO 198 HB3 -0.09 0.07 0.13 -0.04 2.02 2.08 1dj2B1 PRO 198 HG2 -0.11 0.09 0.08 -0.04 2.03 2.06 1dj2B1 PRO 198 HG3 -0.20 0.09 0.06 -0.04 2.03 1.94 1dj2B1 PRO 198 HD2 -0.13 0.11 0.23 -0.04 3.68 3.84 1dj2B1 PRO 198 HD3 -0.23 0.25 0.23 -0.04 3.65 3.85 1dj2B1 GLU 199 H -0.10 0.10 -0.34 -0.55 8.60 7.72 1dj2B1 GLU 199 HA -0.03 0.17 0.58 -0.75 4.29 4.26 1dj2B1 GLU 199 HB2 -0.04 0.01 -0.01 -0.04 2.09 2.01 1dj2B1 GLU 199 HB3 -0.02 0.06 0.03 -0.04 1.99 2.02 1dj2B1 GLU 199 HG2 -0.06 -0.04 0.03 -0.04 2.34 2.23 1dj2B1 GLU 199 HG3 -0.03 0.07 0.01 -0.04 2.34 2.35 1dj2B1 MET 200 H -0.05 0.17 -0.15 -0.55 8.47 7.89 1dj2B1 MET 200 HA 0.04 0.11 0.57 -0.75 4.52 4.48 1dj2B1 MET 200 HB2 0.01 -0.01 0.19 -0.04 2.15 2.29 1dj2B1 MET 200 HB3 0.08 0.02 0.04 -0.04 2.03 2.13 1dj2B1 MET 200 HG2 -0.01 0.15 0.07 -0.04 2.63 2.79 1dj2B1 MET 200 HG3 0.03 -0.01 0.07 -0.04 2.56 2.62 1dj2B1 MET 200 HE3 0.01 0.01 -0.15 -0.04 2.10 1.92 1dj2B1 LEU 201 H 0.01 0.22 -0.41 -0.55 8.37 7.64 1dj2B1 LEU 201 HA 0.10 0.07 0.51 -0.75 4.35 4.27 1dj2B1 LEU 201 HB2 0.07 0.06 0.10 -0.04 1.64 1.83 1dj2B1 LEU 201 HB3 0.02 0.12 0.08 -0.04 1.64 1.81 1dj2B1 LEU 201 HG 0.09 -0.03 -0.04 -0.04 1.64 1.62 1dj2B1 LEU 201 HD13 0.08 0.02 0.01 -0.04 0.93 0.99 1dj2B1 LEU 201 HD23 0.02 0.02 -0.08 -0.04 0.89 0.81 1dj2B1 ARG 202 H 0.01 0.30 -0.15 -0.55 8.46 8.07 1dj2B1 ARG 202 HA 0.03 0.05 0.44 -0.75 4.34 4.11 1dj2B1 ARG 202 HB2 0.01 0.11 0.09 -0.04 1.90 2.07 1dj2B1 ARG 202 HB3 0.01 -0.01 0.10 -0.04 1.80 1.86 1dj2B1 ARG 202 HG2 0.00 -0.02 0.06 -0.04 1.67 1.67 1dj2B1 ARG 202 HG3 -0.00 0.17 0.19 -0.04 1.67 1.98 1dj2B1 ARG 202 HD2 -0.01 -0.03 0.06 -0.04 3.22 3.20 1dj2B1 ARG 202 HD3 -0.00 -0.02 0.03 -0.04 3.22 3.19 1dj2B1 GLU 203 H 0.05 0.14 -0.64 -0.55 8.60 7.60 1dj2B1 GLU 203 HA 0.04 0.08 0.47 -0.75 4.29 4.13 1dj2B1 GLU 203 HB2 0.04 0.13 0.17 -0.04 2.09 2.39 1dj2B1 GLU 203 HB3 0.08 0.15 0.19 -0.04 1.99 2.37 1dj2B1 GLU 203 HG2 0.09 -0.05 -0.18 -0.04 2.34 2.16 1dj2B1 GLU 203 HG3 0.05 0.01 0.03 -0.04 2.34 2.38 1dj2B1 GLU 204 H 0.12 0.43 -0.04 -0.55 8.60 8.57 1dj2B1 GLU 204 HA 0.25 0.03 0.51 -0.75 4.29 4.32 1dj2B1 GLU 204 HB2 0.17 0.15 0.12 -0.04 2.09 2.49 1dj2B1 GLU 204 HB3 0.36 -0.04 0.06 -0.04 1.99 2.34 1dj2B1 GLU 204 HG2 0.36 -0.02 0.07 -0.04 2.34 2.71 1dj2B1 GLU 204 HG3 0.23 0.10 0.09 -0.04 2.34 2.71 1dj2B1 VAL 205 H 0.10 0.29 -0.49 -0.55 8.24 7.59 1dj2B1 VAL 205 HA 0.13 0.05 0.48 -0.75 4.13 4.05 1dj2B1 VAL 205 HB 0.05 0.07 0.13 -0.04 2.12 2.34 1dj2B1 VAL 205 HG13 0.05 0.00 -0.10 -0.04 0.97 0.88 1dj2B1 VAL 205 HG23 0.04 0.09 0.02 -0.04 0.95 1.06 1dj2B1 GLU 206 H 0.06 0.48 -0.08 -0.55 8.60 8.51 1dj2B1 GLU 206 HA 0.03 0.07 0.50 -0.75 4.29 4.13 1dj2B1 GLU 206 HB2 0.01 0.11 0.19 -0.04 2.09 2.36 1dj2B1 GLU 206 HB3 -0.01 -0.03 0.06 -0.04 1.99 1.97 1dj2B1 GLU 206 HG2 0.02 0.23 0.17 -0.04 2.34 2.73 1dj2B1 GLU 206 HG3 0.01 -0.02 0.07 -0.04 2.34 2.35 1dj2B1 ALA 207 H 0.05 0.46 -0.09 -0.55 8.40 8.28 1dj2B1 ALA 207 HA -0.20 0.07 0.47 -0.75 4.34 3.92 1dj2B1 ALA 207 HB3 -0.01 0.00 0.11 -0.04 1.41 1.47 1dj2B1 TYR 208 H 0.29 0.69 -0.13 -0.55 8.29 8.59 1dj2B1 TYR 208 HA 0.40 -0.02 0.57 -0.75 4.56 4.75 1dj2B1 TYR 208 HB2 0.22 0.35 0.20 -0.04 3.06 3.79 1dj2B1 TYR 208 HB3 0.23 -0.01 0.04 -0.04 2.98 3.21 1dj2B1 TYR 208 HD2 0.26 0.08 0.08 -0.04 7.15 7.52 1dj2B1 TYR 208 HE2 0.03 -0.07 0.03 -0.04 6.85 6.81 1dj2B1 LYS 209 H 0.08 0.29 -0.60 -0.55 8.42 7.64 1dj2B1 LYS 209 HA 0.10 0.07 0.55 -0.75 4.32 4.28 1dj2B1 LYS 209 HB2 0.06 0.12 0.18 -0.04 1.87 2.19 1dj2B1 LYS 209 HB3 0.01 0.20 0.21 -0.04 1.79 2.17 1dj2B1 LYS 209 HG2 0.01 -0.03 -0.18 -0.04 1.46 1.22 1dj2B1 LYS 209 HG3 0.03 -0.03 0.07 -0.04 1.46 1.50 1dj2B1 LYS 209 HD2 0.02 -0.00 0.02 -0.04 1.69 1.69 1dj2B1 LYS 209 HD3 0.01 0.01 0.03 -0.04 1.68 1.69 1dj2B1 LYS 209 HE2 0.00 -0.00 -0.02 -0.04 2.99 2.93 1dj2B1 LYS 209 HE3 0.01 -0.01 0.00 -0.04 2.99 2.95 1dj2B1 ARG 210 H -0.10 0.40 -0.10 -0.55 8.46 8.11 1dj2B1 ARG 210 HA -0.07 0.06 0.43 -0.75 4.34 4.01 1dj2B1 ARG 210 HB2 -0.38 0.08 0.09 -0.04 1.90 1.65 1dj2B1 ARG 210 HB3 -0.17 -0.02 0.07 -0.04 1.80 1.64 1dj2B1 ARG 210 HG2 -0.16 0.31 0.28 -0.04 1.67 2.06 1dj2B1 ARG 210 HG3 -0.17 -0.05 0.07 -0.04 1.67 1.48 1dj2B1 ARG 210 HD2 -0.08 -0.02 0.04 -0.04 3.22 3.12 1dj2B1 ARG 210 HD3 -0.06 -0.08 -0.01 -0.04 3.22 3.03 1dj2B1 TYR 211 H -0.14 0.30 -0.22 -0.55 8.29 7.69 1dj2B1 TYR 211 HA -0.01 0.05 0.49 -0.75 4.56 4.34 1dj2B1 TYR 211 HB2 -0.00 0.11 0.13 -0.04 3.06 3.26 1dj2B1 TYR 211 HB3 0.19 -0.05 -0.03 -0.04 2.98 3.05 1dj2B1 TYR 211 HD2 -0.59 -0.02 -0.05 -0.04 7.15 6.46 1dj2B1 TYR 211 HE2 -0.24 -0.02 -0.06 -0.04 6.85 6.49 1dj2B1 ALA 212 H 0.19 0.49 -0.30 -0.55 8.40 8.23 1dj2B1 ALA 212 HA 0.17 -0.02 0.47 -0.75 4.34 4.21 1dj2B1 ALA 212 HB3 0.12 0.07 0.17 -0.04 1.41 1.72 1dj2B1 ASP 213 H 0.05 0.43 -0.17 -0.55 8.40 8.16 1dj2B1 ASP 213 HA 0.02 0.05 0.48 -0.75 4.63 4.43 1dj2B1 ASP 213 HB2 -0.02 0.07 0.17 -0.04 2.71 2.89 1dj2B1 ASP 213 HB3 -0.02 -0.03 0.03 -0.04 2.70 2.65 1dj2B1 ARG 214 H 0.01 0.38 -0.22 -0.55 8.46 8.08 1dj2B1 ARG 214 HA -0.05 0.06 0.50 -0.75 4.34 4.09 1dj2B1 ARG 214 HB2 -0.21 -0.00 0.12 -0.04 1.90 1.77 1dj2B1 ARG 214 HB3 -0.20 0.01 0.24 -0.04 1.80 1.81 1dj2B1 ARG 214 HG2 -1.22 -0.08 -0.02 -0.04 1.67 0.31 1dj2B1 ARG 214 HG3 -0.46 0.01 -0.30 -0.04 1.67 0.88 1dj2B1 ARG 214 HD2 -0.09 0.04 0.08 -0.04 3.22 3.21 1dj2B1 ARG 214 HD3 -0.21 -0.01 0.02 -0.04 3.22 2.98 1dj2B1 LEU 215 H 0.24 0.76 -0.01 -0.55 8.37 8.82 1dj2B1 LEU 215 HA 0.58 0.02 0.51 -0.75 4.35 4.70 1dj2B1 LEU 215 HB2 0.49 -0.04 0.11 -0.04 1.64 2.16 1dj2B1 LEU 215 HB3 0.22 0.08 0.09 -0.04 1.64 1.99 1dj2B1 LEU 215 HG 0.14 -0.03 -0.08 -0.04 1.64 1.63 1dj2B1 LEU 215 HD13 0.06 -0.02 0.01 -0.04 0.93 0.94 1dj2B1 LEU 215 HD23 0.01 -0.02 -0.06 -0.04 0.89 0.78 1dj2B1 GLU 216 H 0.09 0.31 -0.46 -0.55 8.60 8.00 1dj2B1 GLU 216 HA 0.05 -0.07 0.31 -0.75 4.29 3.83 1dj2B1 GLU 216 HB2 0.02 0.24 0.15 -0.04 2.09 2.45 1dj2B1 GLU 216 HB3 -0.01 -0.02 -0.00 -0.04 1.99 1.92 1dj2B1 GLU 216 HG2 0.02 0.07 0.06 -0.04 2.34 2.45 1dj2B1 GLU 216 HG3 -0.00 -0.06 0.04 -0.04 2.34 2.28 1dj2B1 PRO 217 HA -0.08 0.05 0.47 -0.51 4.44 4.37 1dj2B1 PRO 217 HB2 -0.42 -0.00 0.00 -0.04 2.28 1.82 1dj2B1 PRO 217 HB3 -0.18 -0.03 0.09 -0.04 2.02 1.86 1dj2B1 PRO 217 HG2 -0.15 0.01 0.07 -0.04 2.03 1.92 1dj2B1 PRO 217 HG3 -0.09 -0.02 0.05 -0.04 2.03 1.94 1dj2B1 PRO 217 HD2 -0.07 0.35 -0.18 -0.04 3.68 3.73 1dj2B1 PRO 217 HD3 -0.03 0.19 -0.00 -0.04 3.65 3.76 1dj2B1 TYR 218 H 0.02 0.37 -0.19 -0.55 8.29 7.94 1dj2B1 TYR 218 HA -0.03 0.07 0.62 -0.75 4.56 4.47 1dj2B1 TYR 218 HB2 0.04 0.16 0.22 -0.04 3.06 3.43 1dj2B1 TYR 218 HB3 -0.01 -0.15 0.06 -0.04 2.98 2.84 1dj2B1 TYR 218 HD2 0.08 0.26 0.18 -0.04 7.15 7.62 1dj2B1 TYR 218 HE2 0.08 0.01 0.06 -0.04 6.85 6.96 1dj2B1 ILE 219 H 0.11 0.35 -0.07 -0.55 8.25 8.08 1dj2B1 ILE 219 HA 0.04 0.23 0.47 -0.75 4.18 4.16 1dj2B1 ILE 219 HB 0.02 0.10 0.08 -0.04 1.89 2.05 1dj2B1 ILE 219 HG12 0.05 -0.06 -0.09 -0.04 1.49 1.35 1dj2B1 ILE 219 HG13 0.09 0.18 -0.19 -0.04 1.21 1.25 1dj2B1 ILE 219 HG23 0.01 -0.04 -0.16 -0.04 0.93 0.70 1dj2B1 ILE 219 HD13 0.04 -0.02 -0.10 -0.04 0.88 0.76 1dj2B1 THR 220 H 0.00 0.47 0.25 -0.55 8.28 8.46 1dj2B1 THR 220 HA -0.01 0.14 0.63 -0.75 4.39 4.39 1dj2B1 THR 220 HB -0.10 -0.09 -0.08 -0.04 4.32 4.02 1dj2B1 THR 220 HG23 -0.08 0.07 -0.22 -0.04 1.22 0.94 1dj2B1 ASP 221 H 0.02 0.26 0.08 -0.55 8.40 8.22 1dj2B1 ASP 221 HA 0.06 -0.03 0.64 -0.75 4.63 4.55 1dj2B1 ASP 221 HB2 0.09 0.11 0.15 -0.04 2.71 3.01 1dj2B1 ASP 221 HB3 0.14 0.03 0.24 -0.04 2.70 3.06 1dj2B1 THR 222 H 0.06 0.18 0.28 -0.55 8.28 8.26 1dj2B1 THR 222 HA 0.15 0.13 0.34 -0.75 4.39 4.25 1dj2B1 THR 222 HB 0.06 -0.15 0.20 -0.04 4.32 4.40 1dj2B1 THR 222 HG23 0.08 0.03 -0.14 -0.04 1.22 1.16 1dj2B1 VAL 223 H 0.09 0.01 -0.04 -0.55 8.24 7.75 1dj2B1 VAL 223 HA 0.08 0.34 0.47 -0.75 4.13 4.27 1dj2B1 VAL 223 HB 0.08 -0.12 0.08 -0.04 2.12 2.13 1dj2B1 VAL 223 HG13 0.05 0.04 -0.02 -0.04 0.97 1.00 1dj2B1 VAL 223 HG23 0.06 0.01 0.01 -0.04 0.95 0.98 1dj2B1 HIS 224 H 0.20 -0.02 -0.24 -0.55 8.41 7.81 1dj2B1 HIS 224 HA 0.04 0.06 0.36 -0.75 4.63 4.34 1dj2B1 HIS 224 HB2 0.05 -0.04 0.09 -0.04 3.26 3.33 1dj2B1 HIS 224 HB3 0.08 0.05 0.13 -0.04 3.20 3.42 1dj2B1 HIS 224 HD2 0.05 -0.02 0.01 -0.04 6.97 6.96 1dj2B1 HIS 224 HE1 0.03 0.02 -0.03 -0.04 7.75 7.73 1dj2B1 PHE 225 H 0.21 0.61 -0.06 -0.55 8.34 8.55 1dj2B1 PHE 225 HA -0.15 -0.00 0.33 -0.75 4.62 4.05 1dj2B1 PHE 225 HB2 -0.06 -0.01 0.03 -0.04 3.15 3.07 1dj2B1 PHE 225 HB3 -0.01 0.01 0.11 -0.04 3.06 3.13 1dj2B1 PHE 225 HD2 -0.04 -0.04 -0.09 -0.04 7.28 7.07 1dj2B1 PHE 225 HE2 -0.01 0.02 -0.12 -0.04 7.38 7.23 1dj2B1 PHE 225 HZ 0.00 0.07 -0.10 -0.04 7.32 7.25 1dj2B1 ILE 226 H 0.14 0.73 -0.05 -0.55 8.25 8.52 1dj2B1 ILE 226 HA -0.23 0.01 0.33 -0.75 4.18 3.53 1dj2B1 ILE 226 HB 0.04 0.12 0.06 -0.04 1.89 2.07 1dj2B1 ILE 226 HG12 0.17 0.24 0.08 -0.04 1.49 1.94 1dj2B1 ILE 226 HG13 0.08 -0.05 -0.07 -0.04 1.21 1.12 1dj2B1 ILE 226 HG23 -0.00 -0.02 -0.23 -0.04 0.93 0.64 1dj2B1 ILE 226 HD13 0.12 -0.03 -0.10 -0.04 0.88 0.83 1dj2B1 ASN 227 H 0.03 0.55 -0.12 -0.55 8.53 8.44 1dj2B1 ASN 227 HA -0.01 0.01 0.46 -0.75 4.76 4.46 1dj2B1 ASN 227 HB2 0.07 0.09 0.19 -0.04 2.88 3.19 1dj2B1 ASN 227 HB3 0.03 -0.07 0.01 -0.04 2.79 2.71 1dj2B1 ASN 227 HD21 0.03 0.09 0.09 -0.04 7.03 7.20 1dj2B1 ASN 227 HD22 0.04 -0.11 -0.03 -0.04 7.74 7.60 1dj2B1 ASP 228 H 0.06 0.78 0.02 -0.55 8.40 8.71 1dj2B1 ASP 228 HA 0.04 -0.02 0.43 -0.75 4.63 4.33 1dj2B1 ASP 228 HB2 0.19 0.06 0.09 -0.04 2.71 3.01 1dj2B1 ASP 228 HB3 -0.09 0.05 0.08 -0.04 2.70 2.71 1dj2B1 SER 229 H -0.28 0.79 -0.07 -0.55 8.46 8.35 1dj2B1 SER 229 HA -0.17 -0.01 0.36 -0.75 4.49 3.92 1dj2B1 SER 229 HB2 -0.44 0.11 0.10 -0.04 3.95 3.68 1dj2B1 SER 229 HB3 -0.29 -0.05 -0.06 -0.04 3.93 3.49 1dj2B1 ILE 230 H -0.11 0.56 -0.19 -0.55 8.25 7.96 1dj2B1 ILE 230 HA -0.04 0.15 0.43 -0.75 4.18 3.96 1dj2B1 ILE 230 HB -0.03 0.07 0.18 -0.04 1.89 2.06 1dj2B1 ILE 230 HG12 -0.02 0.02 -0.00 -0.04 1.49 1.45 1dj2B1 ILE 230 HG13 -0.06 0.26 0.08 -0.04 1.21 1.45 1dj2B1 ILE 230 HG23 -0.01 -0.03 -0.10 -0.04 0.93 0.75 1dj2B1 ILE 230 HD13 -0.01 -0.05 -0.12 -0.04 0.88 0.66 1dj2B1 SER 231 H -0.03 0.53 -0.12 -0.55 8.46 8.29 1dj2B1 SER 231 HA -0.01 0.05 0.60 -0.75 4.49 4.37 1dj2B1 SER 231 HB2 -0.00 -0.07 0.12 -0.04 3.95 3.95 1dj2B1 SER 231 HB3 -0.00 -0.05 0.12 -0.04 3.93 3.95 1dj2B1 GLN 232 H -0.04 0.35 -0.45 -0.55 8.47 7.78 1dj2B1 GLN 232 HA -0.02 0.03 0.53 -0.75 4.36 4.15 1dj2B1 GLN 232 HB2 -0.05 0.11 0.18 -0.04 2.15 2.35 1dj2B1 GLN 232 HB3 -0.02 -0.08 0.16 -0.04 2.02 2.04 1dj2B1 GLN 232 HG2 -0.03 0.42 0.02 -0.04 2.40 2.77 1dj2B1 GLN 232 HG3 -0.02 -0.11 -0.04 -0.04 2.39 2.18 1dj2B1 GLN 232 HE21 0.00 -0.04 -0.00 -0.04 6.97 6.88 1dj2B1 GLN 232 HE22 -0.00 -0.01 0.03 -0.04 7.69 7.67 1dj2B1 LYS 233 H -0.02 0.29 -0.76 -0.55 8.42 7.37 1dj2B1 LYS 233 HA -0.02 0.08 0.26 -0.75 4.32 3.89 1dj2B1 LYS 233 HB2 -0.02 0.17 0.11 -0.04 1.87 2.09 1dj2B1 LYS 233 HB3 -0.02 -0.08 0.19 -0.04 1.79 1.84 1dj2B1 LYS 233 HG2 -0.01 0.06 -0.31 -0.04 1.46 1.16 1dj2B1 LYS 233 HG3 -0.01 -0.08 -0.04 -0.04 1.46 1.28 1dj2B1 LYS 233 HD2 -0.01 -0.07 0.03 -0.04 1.69 1.60 1dj2B1 LYS 233 HD3 -0.02 0.14 0.05 -0.04 1.68 1.81 1dj2B1 LYS 233 HE2 -0.01 0.14 0.04 -0.04 2.99 3.12 1dj2B1 LYS 233 HE3 -0.01 -0.08 0.01 -0.04 2.99 2.87 1dj2B1 LYS 234 H -0.04 0.44 -0.19 -0.55 8.42 8.08 1dj2B1 LYS 234 HA -0.02 0.04 0.56 -0.75 4.32 4.15 1dj2B1 LYS 234 HB2 -0.07 -0.03 -0.11 -0.04 1.87 1.62 1dj2B1 LYS 234 HB3 -0.02 -0.03 -0.04 -0.04 1.79 1.65 1dj2B1 LYS 234 HG2 -0.05 0.08 -0.06 -0.04 1.46 1.39 1dj2B1 LYS 234 HG3 -0.05 -0.08 -0.02 -0.04 1.46 1.28 1dj2B1 LYS 234 HD2 -0.00 -0.03 0.01 -0.04 1.69 1.62 1dj2B1 LYS 234 HD3 -0.02 0.06 -0.12 -0.04 1.68 1.56 1dj2B1 LYS 234 HE2 -0.00 -0.02 -0.01 -0.04 2.99 2.91 1dj2B1 LYS 234 HE3 -0.01 0.09 -0.01 -0.04 2.99 3.01 1dj2B1 LYS 235 H -0.02 0.06 0.23 -0.55 8.42 8.15 1dj2B1 LYS 235 HA 0.02 0.29 0.71 -0.75 4.32 4.58 1dj2B1 LYS 235 HB2 -0.11 -0.28 0.31 -0.04 1.87 1.75 1dj2B1 LYS 235 HB3 -0.37 0.08 0.12 -0.04 1.79 1.58 1dj2B1 LYS 235 HG2 -0.33 0.13 0.11 -0.04 1.46 1.33 1dj2B1 LYS 235 HG3 -0.17 0.01 0.10 -0.04 1.46 1.37 1dj2B1 LYS 235 HD2 -0.06 -0.03 0.12 -0.04 1.69 1.68 1dj2B1 LYS 235 HD3 -0.09 -0.06 0.12 -0.04 1.68 1.62 1dj2B1 LYS 235 HE2 -0.07 -0.03 0.03 -0.04 2.99 2.88 1dj2B1 LYS 235 HE3 -0.06 0.02 0.08 -0.04 2.99 2.99 1dj2B1 VAL 236 H 0.20 0.83 0.51 -0.55 8.24 9.23 1dj2B1 VAL 236 HA 0.18 0.20 1.09 -0.75 4.13 4.85 1dj2B1 VAL 236 HB 0.07 -0.04 0.14 -0.04 2.12 2.24 1dj2B1 VAL 236 HG13 0.03 -0.04 -0.24 -0.04 0.97 0.69 1dj2B1 VAL 236 HG23 0.01 0.06 -0.22 -0.04 0.95 0.76 1dj2B1 LEU 237 H -0.01 0.75 0.28 -0.55 8.37 8.84 1dj2B1 LEU 237 HA -0.33 0.28 0.90 -0.75 4.35 4.44 1dj2B1 LEU 237 HB2 -2.20 0.06 -0.13 -0.04 1.64 -0.67 1dj2B1 LEU 237 HB3 -0.48 0.00 0.12 -0.04 1.64 1.24 1dj2B1 LEU 237 HG -0.31 -0.08 -0.48 -0.04 1.64 0.73 1dj2B1 LEU 237 HD13 -0.50 0.02 -0.32 -0.04 0.93 0.09 1dj2B1 LEU 237 HD23 -0.41 -0.01 -0.20 -0.04 0.89 0.23 1dj2B1 VAL 238 H -0.09 0.76 0.30 -0.55 8.24 8.66 1dj2B1 VAL 238 HA -0.04 0.21 0.79 -0.75 4.13 4.35 1dj2B1 VAL 238 HB -0.02 -0.10 0.12 -0.04 2.12 2.08 1dj2B1 VAL 238 HG13 -0.00 -0.01 -0.12 -0.04 0.97 0.80 1dj2B1 VAL 238 HG23 -0.00 0.06 -0.10 -0.04 0.95 0.87 1dj2B1 GLU 239 H -0.03 0.64 0.24 -0.55 8.60 8.91 1dj2B1 GLU 239 HA -0.03 0.09 0.82 -0.75 4.29 4.41 1dj2B1 GLU 239 HB2 -0.03 0.01 -0.07 -0.04 2.09 1.96 1dj2B1 GLU 239 HB3 -0.02 -0.01 -0.02 -0.04 1.99 1.90 1dj2B1 GLU 239 HG2 0.06 0.04 -0.37 -0.04 2.34 2.03 1dj2B1 GLU 239 HG3 0.09 0.02 -0.12 -0.04 2.34 2.28 1dj2B1 GLY 240 H 0.00 0.60 0.34 -0.55 8.43 8.82 1dj2B1 GLY 240 HA2 0.02 -0.07 0.48 -0.51 4.01 3.93 1dj2B1 GLY 240 HA3 0.02 0.07 0.50 -0.51 4.01 4.09 1dj2B1 GLY 241 H 0.03 0.04 0.18 -0.55 8.43 8.13 1dj2B1 GLY 241 HA2 0.07 0.14 0.37 -0.51 4.01 4.08 1dj2B1 GLY 241 HA3 0.04 -0.08 0.24 -0.51 4.01 3.71 1dj2B1 GLN 242 H 0.02 0.06 -0.02 -0.55 8.47 7.99 1dj2B1 GLN 242 HA 0.01 0.25 0.68 -0.75 4.36 4.54 1dj2B1 GLN 242 HB2 0.01 -0.02 -0.07 -0.04 2.15 2.03 1dj2B1 GLN 242 HB3 0.01 -0.15 0.12 -0.04 2.02 1.96 1dj2B1 GLN 242 HG2 0.04 0.15 -0.04 -0.04 2.40 2.51 1dj2B1 GLN 242 HG3 0.05 -0.08 -0.57 -0.04 2.39 1.74 1dj2B1 GLN 242 HE21 0.02 -0.04 -0.06 -0.04 6.97 6.85 1dj2B1 GLN 242 HE22 0.02 -0.08 -0.13 -0.04 7.69 7.46 1dj2B1 ALA 243 H -0.03 0.12 0.02 -0.55 8.40 7.96 1dj2B1 ALA 243 HA -0.05 0.23 0.74 -0.75 4.34 4.51 1dj2B1 ALA 243 HB3 -0.12 0.01 -0.37 -0.04 1.41 0.89 1dj2B1 THR 244 H -0.07 0.72 0.17 -0.55 8.28 8.55 1dj2B1 THR 244 HA -0.02 -0.06 0.24 -0.75 4.39 3.79 1dj2B1 THR 244 HB -0.01 -0.05 0.03 -0.04 4.32 4.24 1dj2B1 THR 244 HG23 0.01 0.09 -0.00 -0.04 1.22 1.27 1dj2B1 MET 245 H -0.39 0.33 -0.20 -0.55 8.47 7.66 1dj2B1 MET 245 HA -0.28 0.19 0.42 -0.75 4.52 4.09 1dj2B1 MET 245 HB2 -1.85 0.08 -0.07 -0.04 2.15 0.27 1dj2B1 MET 245 HB3 -1.34 0.02 0.09 -0.04 2.03 0.76 1dj2B1 MET 245 HG2 -0.78 0.17 0.14 -0.04 2.63 2.12 1dj2B1 MET 245 HG3 -1.85 -0.13 0.03 -0.04 2.56 0.58 1dj2B1 MET 245 HE3 -1.24 -0.01 0.02 -0.04 2.10 0.83 1dj2B1 LEU 246 H -0.14 0.23 -0.71 -0.55 8.37 7.20 1dj2B1 LEU 246 HA 0.07 0.27 0.82 -0.75 4.35 4.76 1dj2B1 LEU 246 HB2 -0.02 0.15 -0.02 -0.04 1.64 1.71 1dj2B1 LEU 246 HB3 0.03 -0.18 0.10 -0.04 1.64 1.55 1dj2B1 LEU 246 HG 0.04 -0.07 -0.17 -0.04 1.64 1.41 1dj2B1 LEU 246 HD13 0.06 -0.01 -0.14 -0.04 0.93 0.80 1dj2B1 LEU 246 HD23 0.23 0.05 0.01 -0.04 0.89 1.13 1dj2B1 ASP 247 H -0.00 0.53 -0.31 -0.55 8.40 8.07 1dj2B1 ASP 247 HA -0.02 0.01 0.42 -0.75 4.63 4.29 1dj2B1 ASP 247 HB2 0.07 0.10 0.16 -0.04 2.71 3.00 1dj2B1 ASP 247 HB3 0.10 -0.05 0.05 -0.04 2.70 2.76 1dj2B1 ILE 248 H -0.08 0.35 0.25 -0.55 8.25 8.22 1dj2B1 ILE 248 HA 0.03 0.12 0.39 -0.75 4.18 3.98 1dj2B1 ILE 248 HB -0.10 0.15 0.07 -0.04 1.89 1.97 1dj2B1 ILE 248 HG12 -0.07 0.01 0.02 -0.04 1.49 1.41 1dj2B1 ILE 248 HG13 -0.03 -0.02 -0.01 -0.04 1.21 1.11 1dj2B1 ILE 248 HG23 -0.15 -0.03 -0.08 -0.04 0.93 0.62 1dj2B1 ILE 248 HD13 0.06 -0.03 0.01 -0.04 0.88 0.88 1dj2B1 ASP 249 H -0.24 -0.14 -0.27 -0.55 8.40 7.20 1dj2B1 ASP 249 HA -0.24 0.28 0.86 -0.75 4.63 4.77 1dj2B1 ASP 249 HB2 -0.89 -0.15 0.09 -0.04 2.71 1.72 1dj2B1 ASP 249 HB3 -1.06 0.08 -0.09 -0.04 2.70 1.58 1dj2B1 PHE 250 H -0.44 -0.08 0.01 -0.55 8.34 7.28 1dj2B1 PHE 250 HA 0.21 0.23 0.63 -0.75 4.62 4.93 1dj2B1 PHE 250 HB2 0.06 -0.02 0.02 -0.04 3.15 3.17 1dj2B1 PHE 250 HB3 0.24 0.07 0.11 -0.04 3.06 3.44 1dj2B1 PHE 250 HD2 0.01 0.01 -0.02 -0.04 7.28 7.24 1dj2B1 PHE 250 HE2 -0.04 -0.02 -0.02 -0.04 7.38 7.25 1dj2B1 PHE 250 HZ -0.05 0.04 -0.01 -0.04 7.32 7.25 1dj2B1 GLY 251 H 0.10 0.10 -0.57 -0.55 8.43 7.51 1dj2B1 GLY 251 HA2 0.10 0.05 0.46 -0.51 4.01 4.10 1dj2B1 GLY 251 HA3 0.12 0.07 0.05 -0.51 4.01 3.74 1dj2B1 THR 252 H 0.25 0.35 0.01 -0.55 8.28 8.33 1dj2B1 THR 252 HA 0.31 0.24 0.73 -0.75 4.39 4.92 1dj2B1 THR 252 HB 0.33 -0.04 0.19 -0.04 4.32 4.75 1dj2B1 THR 252 HG23 0.62 0.02 -0.03 -0.04 1.22 1.79 1dj2B1 TYR 253 H 0.28 0.28 -0.60 -0.55 8.29 7.69 1dj2B1 TYR 253 HA 0.02 -0.11 0.23 -0.75 4.56 3.95 1dj2B1 TYR 253 HB2 0.02 0.12 -0.03 -0.04 3.06 3.12 1dj2B1 TYR 253 HB3 0.03 0.03 0.01 -0.04 2.98 3.01 1dj2B1 TYR 253 HD2 -0.02 0.04 -0.12 -0.04 7.15 7.00 1dj2B1 TYR 253 HE2 -0.04 -0.03 -0.01 -0.04 6.85 6.73 1dj2B1 PRO 254 HA -1.06 0.03 0.31 -0.51 4.44 3.22 1dj2B1 PRO 254 HB2 -0.67 0.00 0.17 -0.04 2.28 1.75 1dj2B1 PRO 254 HB3 -1.06 0.02 0.11 -0.04 2.02 1.05 1dj2B1 PRO 254 HG2 -0.96 0.06 -0.03 -0.04 2.03 1.06 1dj2B1 PRO 254 HG3 -0.40 0.00 0.08 -0.04 2.03 1.67 1dj2B1 PRO 254 HD2 -0.09 0.12 0.41 -0.04 3.68 4.08 1dj2B1 PRO 254 HD3 -0.13 0.05 0.10 -0.04 3.65 3.63 1dj2B1 PHE 255 H 0.04 0.63 0.02 -0.55 8.34 8.48 1dj2B1 PHE 255 HA -0.05 0.10 0.81 -0.75 4.62 4.72 1dj2B1 PHE 255 HB2 0.03 0.14 0.24 -0.04 3.15 3.52 1dj2B1 PHE 255 HB3 -0.01 0.04 0.23 -0.04 3.06 3.28 1dj2B1 PHE 255 HD2 -0.05 0.03 -0.02 -0.04 7.28 7.19 1dj2B1 PHE 255 HE2 -0.09 0.02 -0.19 -0.04 7.38 7.07 1dj2B1 PHE 255 HZ -0.06 -0.08 -0.06 -0.04 7.32 7.07 1dj2B1 VAL 256 H -0.06 0.38 -0.45 -0.55 8.24 7.55 1dj2B1 VAL 256 HA 0.11 0.09 0.73 -0.75 4.13 4.30 1dj2B1 VAL 256 HB 0.05 0.27 -0.35 -0.04 2.12 2.05 1dj2B1 VAL 256 HG13 0.14 0.03 -0.42 -0.04 0.97 0.68 1dj2B1 VAL 256 HG23 0.06 -0.02 -0.28 -0.04 0.95 0.67 1dj2B1 THR 257 H 0.02 0.63 0.20 -0.55 8.28 8.58 1dj2B1 THR 257 HA -0.00 0.10 0.79 -0.75 4.39 4.52 1dj2B1 THR 257 HB 0.02 0.04 0.05 -0.04 4.32 4.38 1dj2B1 THR 257 HG23 -0.03 0.04 -0.14 -0.04 1.22 1.04 1dj2B1 SER 258 H -0.04 0.00 0.10 -0.55 8.46 7.97 1dj2B1 SER 258 HA -0.11 0.25 0.62 -0.75 4.49 4.49 1dj2B1 SER 258 HB2 -0.05 -0.06 -0.05 -0.04 3.95 3.74 1dj2B1 SER 258 HB3 -0.14 0.09 0.10 -0.04 3.93 3.93 1dj2B1 SER 259 H -0.19 -0.10 -0.22 -0.55 8.46 7.41 1dj2B1 SER 259 HA -0.59 0.30 0.70 -0.75 4.49 4.15 1dj2B1 SER 259 HB2 -0.10 -0.01 0.19 -0.04 3.95 3.98 1dj2B1 SER 259 HB3 -0.14 0.00 0.10 -0.04 3.93 3.85 1dj2B1 SER 260 H -0.09 0.17 0.02 -0.55 8.46 8.02 1dj2B1 SER 260 HA -0.06 0.14 0.96 -0.75 4.49 4.77 1dj2B1 SER 260 HB2 -0.04 0.02 0.18 -0.04 3.95 4.08 1dj2B1 SER 260 HB3 -0.02 -0.08 0.11 -0.04 3.93 3.89 1dj2B1 PRO 261 HA 0.01 -0.01 0.38 -0.51 4.44 4.31 1dj2B1 PRO 261 HB2 -0.01 0.07 -0.58 -0.04 2.28 1.72 1dj2B1 PRO 261 HB3 -0.00 0.03 -0.46 -0.04 2.02 1.55 1dj2B1 PRO 261 HG2 -0.01 0.16 -0.32 -0.04 2.03 1.82 1dj2B1 PRO 261 HG3 -0.01 -0.09 -0.20 -0.04 2.03 1.69 1dj2B1 PRO 261 HD2 -0.01 0.07 0.02 -0.04 3.68 3.71 1dj2B1 PRO 261 HD3 -0.05 0.17 -0.61 -0.04 3.65 3.12 1dj2B1 SER 262 H 0.03 -0.10 -0.75 -0.55 8.46 7.09 1dj2B1 SER 262 HA -0.01 0.18 0.46 -0.75 4.49 4.37 1dj2B1 SER 262 HB2 0.13 -0.08 0.00 -0.04 3.95 3.97 1dj2B1 SER 262 HB3 0.03 0.07 0.08 -0.04 3.93 4.08 1dj2B1 ALA 263 H -0.11 0.26 0.10 -0.55 8.40 8.10 1dj2B1 ALA 263 HA -0.04 0.08 0.33 -0.75 4.34 3.96 1dj2B1 ALA 263 HB3 -0.14 0.07 0.11 -0.04 1.41 1.41 1dj2B1 GLY 264 H -0.00 0.04 -0.33 -0.55 8.43 7.60 1dj2B1 GLY 264 HA2 -0.01 0.16 0.48 -0.51 4.01 4.13 1dj2B1 GLY 264 HA3 0.03 0.07 0.26 -0.51 4.01 3.85 1dj2B1 GLY 265 H 0.01 0.30 -0.29 -0.55 8.43 7.91 1dj2B1 GLY 265 HA2 0.00 -0.01 0.38 -0.51 4.01 3.87 1dj2B1 GLY 265 HA3 0.00 0.26 0.29 -0.51 4.01 4.06 1dj2B1 ILE 266 H 0.00 0.36 -0.63 -0.55 8.25 7.43 1dj2B1 ILE 266 HA 0.01 0.01 0.44 -0.75 4.18 3.88 1dj2B1 ILE 266 HB -0.00 0.24 0.04 -0.04 1.89 2.12 1dj2B1 ILE 266 HG12 0.00 -0.08 -0.11 -0.04 1.49 1.26 1dj2B1 ILE 266 HG13 0.00 -0.02 -0.06 -0.04 1.21 1.09 1dj2B1 ILE 266 HG23 0.01 0.00 -0.20 -0.04 0.93 0.70 1dj2B1 ILE 266 HD13 0.00 0.02 -0.09 -0.04 0.88 0.77 1dj2B1 CYS 267 H 0.00 0.31 -0.12 -0.55 8.50 8.14 1dj2B1 CYS 267 HA 0.01 0.07 0.61 -0.75 4.58 4.52 1dj2B1 CYS 267 HB2 0.00 0.06 0.22 -0.04 2.97 3.22 1dj2B1 CYS 267 HB3 0.00 0.02 0.05 -0.04 2.97 3.00 1dj2B1 THR 268 H 0.01 0.52 0.09 -0.55 8.28 8.35 1dj2B1 THR 268 HA 0.02 0.12 0.53 -0.75 4.39 4.30 1dj2B1 THR 268 HB 0.02 0.02 0.04 -0.04 4.32 4.36 1dj2B1 THR 268 HG23 0.01 0.02 0.01 -0.04 1.22 1.21 1dj2B1 GLY 269 H 0.02 0.28 -0.54 -0.55 8.43 7.64 1dj2B1 GLY 269 HA2 0.04 0.07 0.65 -0.51 4.01 4.27 1dj2B1 GLY 269 HA3 0.03 0.17 0.33 -0.51 4.01 4.04 1dj2B1 LEU 270 H 0.03 0.15 -0.29 -0.55 8.37 7.70 1dj2B1 LEU 270 HA 0.04 0.02 0.96 -0.75 4.35 4.63 1dj2B1 LEU 270 HB2 0.02 0.23 0.06 -0.04 1.64 1.91 1dj2B1 LEU 270 HB3 0.04 -0.01 -0.08 -0.04 1.64 1.54 1dj2B1 LEU 270 HG 0.02 -0.07 -0.28 -0.04 1.64 1.26 1dj2B1 LEU 270 HD13 0.02 0.01 -0.15 -0.04 0.93 0.77 1dj2B1 LEU 270 HD23 0.04 0.03 -0.10 -0.04 0.89 0.82 1dj2B1 GLY 271 H 0.03 0.34 0.13 -0.55 8.43 8.38 1dj2B1 GLY 271 HA2 0.03 0.07 0.30 -0.51 4.01 3.90 1dj2B1 GLY 271 HA3 0.04 0.05 0.71 -0.51 4.01 4.30 1dj2B1 ILE 272 H 0.02 0.12 0.18 -0.55 8.25 8.02 1dj2B1 ILE 272 HA 0.01 0.17 0.86 -0.75 4.18 4.47 1dj2B1 ILE 272 HB 0.01 -0.03 -0.07 -0.04 1.89 1.76 1dj2B1 ILE 272 HG12 0.01 0.07 -0.23 -0.04 1.49 1.30 1dj2B1 ILE 272 HG13 0.02 -0.12 -0.39 -0.04 1.21 0.67 1dj2B1 ILE 272 HG23 0.01 0.08 -0.21 -0.04 0.93 0.76 1dj2B1 ILE 272 HD13 0.02 0.01 -0.17 -0.04 0.88 0.70 1dj2B1 ALA 273 H 0.01 0.16 0.11 -0.55 8.40 8.13 1dj2B1 ALA 273 HA 0.00 0.15 0.48 -0.75 4.34 4.22 1dj2B1 ALA 273 HB3 -0.00 0.02 0.10 -0.04 1.41 1.49 1dj2B1 PRO 274 HA -0.01 0.11 0.46 -0.51 4.44 4.49 1dj2B1 PRO 274 HB2 -0.01 0.02 0.05 -0.04 2.28 2.29 1dj2B1 PRO 274 HB3 -0.02 0.08 0.09 -0.04 2.02 2.12 1dj2B1 PRO 274 HG2 -0.01 0.05 0.09 -0.04 2.03 2.12 1dj2B1 PRO 274 HG3 -0.01 0.04 0.11 -0.04 2.03 2.13 1dj2B1 PRO 274 HD2 -0.01 0.08 0.23 -0.04 3.68 3.94 1dj2B1 PRO 274 HD3 -0.00 0.17 0.25 -0.04 3.65 4.03 1dj2B1 SER 275 H -0.01 0.04 -0.23 -0.55 8.46 7.72 1dj2B1 SER 275 HA -0.01 0.18 0.46 -0.75 4.49 4.37 1dj2B1 SER 275 HB2 -0.01 0.05 0.03 -0.04 3.95 3.99 1dj2B1 SER 275 HB3 -0.01 -0.01 0.05 -0.04 3.93 3.92 1dj2B1 VAL 276 H -0.00 0.19 -0.56 -0.55 8.24 7.32 1dj2B1 VAL 276 HA 0.00 0.13 0.62 -0.75 4.13 4.13 1dj2B1 VAL 276 HB 0.00 0.09 0.03 -0.04 2.12 2.20 1dj2B1 VAL 276 HG13 0.00 0.00 -0.05 -0.04 0.97 0.88 1dj2B1 VAL 276 HG23 0.00 -0.04 -0.02 -0.04 0.95 0.84 1dj2B1 VAL 277 H -0.00 0.17 -0.18 -0.55 8.24 7.68 1dj2B1 VAL 277 HA 0.01 -0.02 0.42 -0.75 4.13 3.79 1dj2B1 VAL 277 HB -0.01 0.12 0.12 -0.04 2.12 2.32 1dj2B1 VAL 277 HG13 -0.00 0.03 -0.17 -0.04 0.97 0.79 1dj2B1 VAL 277 HG23 -0.00 -0.00 -0.09 -0.04 0.95 0.82 1dj2B1 GLY 278 H 0.03 0.55 0.28 -0.55 8.43 8.73 1dj2B1 GLY 278 HA2 0.02 0.14 0.56 -0.51 4.01 4.22 1dj2B1 GLY 278 HA3 0.04 -0.16 0.40 -0.51 4.01 3.78 1dj2B1 ASP 279 H 0.05 -0.00 0.15 -0.55 8.40 8.04 1dj2B1 ASP 279 HA 0.05 0.13 0.55 -0.75 4.63 4.60 1dj2B1 ASP 279 HB2 0.07 -0.11 0.18 -0.04 2.71 2.81 1dj2B1 ASP 279 HB3 0.08 -0.00 0.01 -0.04 2.70 2.75 1dj2B1 LEU 280 H 0.09 0.21 0.29 -0.55 8.37 8.42 1dj2B1 LEU 280 HA 0.10 0.18 1.02 -0.75 4.35 4.89 1dj2B1 LEU 280 HB2 0.13 0.06 0.04 -0.04 1.64 1.83 1dj2B1 LEU 280 HB3 0.25 -0.09 -0.13 -0.04 1.64 1.63 1dj2B1 LEU 280 HG 0.01 0.27 -0.16 -0.04 1.64 1.73 1dj2B1 LEU 280 HD13 -0.07 0.04 -0.06 -0.04 0.93 0.79 1dj2B1 LEU 280 HD23 0.03 -0.01 -0.19 -0.04 0.89 0.68 1dj2B1 ILE 281 H 0.06 0.66 0.28 -0.55 8.25 8.71 1dj2B1 ILE 281 HA 0.02 0.31 0.93 -0.75 4.18 4.69 1dj2B1 ILE 281 HB -0.08 -0.04 0.12 -0.04 1.89 1.85 1dj2B1 ILE 281 HG12 0.15 -0.02 -0.19 -0.04 1.49 1.39 1dj2B1 ILE 281 HG13 0.05 0.03 -0.13 -0.04 1.21 1.12 1dj2B1 ILE 281 HG23 -0.00 -0.03 -0.41 -0.04 0.93 0.45 1dj2B1 ILE 281 HD13 -0.08 0.01 -0.11 -0.04 0.88 0.65 1dj2B1 GLY 282 H -0.49 0.70 0.33 -0.55 8.43 8.42 1dj2B1 GLY 282 HA2 -0.89 0.15 0.78 -0.51 4.01 3.54 1dj2B1 GLY 282 HA3 -1.73 0.05 0.28 -0.51 4.01 2.09 1dj2B1 VAL 283 H -0.25 0.76 0.31 -0.55 8.24 8.51 1dj2B1 VAL 283 HA -0.14 0.13 0.67 -0.75 4.13 4.04 1dj2B1 VAL 283 HB -0.13 -0.17 0.07 -0.04 2.12 1.86 1dj2B1 VAL 283 HG13 -0.09 -0.02 -0.42 -0.04 0.97 0.40 1dj2B1 VAL 283 HG23 -0.13 0.02 -0.10 -0.04 0.95 0.71 1dj2B1 VAL 284 H -0.09 0.59 0.24 -0.55 8.24 8.43 1dj2B1 VAL 284 HA -0.08 -0.06 0.99 -0.75 4.13 4.23 1dj2B1 VAL 284 HB -0.02 0.15 -0.08 -0.04 2.12 2.14 1dj2B1 VAL 284 HG13 -0.10 -0.01 -0.16 -0.04 0.97 0.66 1dj2B1 VAL 284 HG23 -0.06 0.01 -0.08 -0.04 0.95 0.78 1dj2B1 LYS 285 H -0.06 -0.01 0.17 -0.55 8.42 7.97 1dj2B1 LYS 285 HA -0.05 0.11 0.61 -0.75 4.32 4.24 1dj2B1 LYS 285 HB2 -0.16 -0.15 0.08 -0.04 1.87 1.61 1dj2B1 LYS 285 HB3 -0.22 0.29 0.16 -0.04 1.79 1.97 1dj2B1 LYS 285 HG2 -0.73 -0.14 -0.07 -0.04 1.46 0.49 1dj2B1 LYS 285 HG3 -0.24 0.06 -0.05 -0.04 1.46 1.19 1dj2B1 LYS 285 HD2 -0.76 -0.06 -0.33 -0.04 1.69 0.50 1dj2B1 LYS 285 HD3 -0.94 0.08 -0.18 -0.04 1.68 0.60 1dj2B1 LYS 285 HE2 -0.15 0.20 -0.16 -0.04 2.99 2.84 1dj2B1 LYS 285 HE3 -0.17 -0.23 -0.23 -0.04 2.99 2.32 1dj2B1 ALA 286 H 0.10 0.50 0.19 -0.55 8.40 8.64 1dj2B1 ALA 286 HA 0.30 0.03 0.38 -0.75 4.34 4.29 1dj2B1 ALA 286 HB3 0.40 0.01 -0.03 -0.04 1.41 1.75 1dj2B1 TYR 287 H -0.13 0.04 -0.53 -0.55 8.29 7.13 1dj2B1 TYR 287 HA 0.23 -0.04 0.53 -0.75 4.56 4.53 1dj2B1 TYR 287 HB2 -0.05 0.33 0.32 -0.04 3.06 3.62 1dj2B1 TYR 287 HB3 0.06 0.04 0.02 -0.04 2.98 3.06 1dj2B1 TYR 287 HD2 0.01 0.03 -0.11 -0.04 7.15 7.03 1dj2B1 TYR 287 HE2 -0.01 0.04 -0.08 -0.04 6.85 6.76 1dj2B1 THR 288 H 0.28 0.50 -0.09 -0.55 8.28 8.42 1dj2B1 THR 288 HA -0.01 0.15 1.00 -0.75 4.39 4.77 1dj2B1 THR 288 HB 0.25 -0.00 -0.01 -0.04 4.32 4.51 1dj2B1 THR 288 HG23 0.31 -0.02 -0.27 -0.04 1.22 1.20 1dj2B1 THR 289 H 0.01 0.09 0.17 -0.55 8.28 8.00 1dj2B1 THR 289 HA 0.05 0.46 0.78 -0.75 4.39 4.93 1dj2B1 THR 289 HB -0.03 0.07 -0.04 -0.04 4.32 4.27 1dj2B1 THR 289 HG23 0.02 0.02 -0.26 -0.04 1.22 0.95 1dj2B1 ARG 290 H -0.13 0.60 0.09 -0.55 8.46 8.47 1dj2B1 ARG 290 HA -0.17 0.00 0.63 -0.75 4.34 4.05 1dj2B1 ARG 290 HB2 -1.30 -0.06 -0.39 -0.04 1.90 0.10 1dj2B1 ARG 290 HB3 -0.45 0.09 -0.06 -0.04 1.80 1.35 1dj2B1 ARG 290 HG2 -0.35 -0.04 -0.14 -0.04 1.67 1.10 1dj2B1 ARG 290 HG3 -0.92 -0.07 0.03 -0.04 1.67 0.67 1dj2B1 ARG 290 HD2 -1.40 -0.06 -0.20 -0.04 3.22 1.52 1dj2B1 ARG 290 HD3 -0.50 0.06 -0.35 -0.04 3.22 2.39 1dj2B1 VAL 291 H -0.04 0.11 0.11 -0.55 8.24 7.87 1dj2B1 VAL 291 HA -0.04 0.13 0.66 -0.75 4.13 4.12 1dj2B1 VAL 291 HB -0.00 -0.03 0.04 -0.04 2.12 2.08 1dj2B1 VAL 291 HG13 0.02 -0.01 0.06 -0.04 0.97 1.00 1dj2B1 VAL 291 HG23 0.01 0.01 -0.11 -0.04 0.95 0.82 1dj2B1 GLY 292 H -0.04 -0.03 0.01 -0.55 8.43 7.83 1dj2B1 GLY 292 HA2 -0.06 0.19 0.67 -0.51 4.01 4.30 1dj2B1 GLY 292 HA3 -0.04 -0.10 0.39 -0.51 4.01 3.74 1dj2B1 SER 293 H -0.18 0.08 0.10 -0.55 8.46 7.91 1dj2B1 SER 293 HA -0.26 0.20 0.73 -0.75 4.49 4.41 1dj2B1 SER 293 HB2 -0.39 -0.03 0.10 -0.04 3.95 3.58 1dj2B1 SER 293 HB3 -0.31 0.02 0.06 -0.04 3.93 3.66 1dj2B1 GLY 294 H -0.46 0.15 0.12 -0.55 8.43 7.70 1dj2B1 GLY 294 HA2 -1.08 -0.01 0.27 -0.51 4.01 2.68 1dj2B1 GLY 294 HA3 -0.71 0.24 0.83 -0.51 4.01 3.86 1dj2B1 PRO 295 HA -0.06 0.02 0.40 -0.51 4.44 4.30 1dj2B1 PRO 295 HB2 0.15 0.00 0.03 -0.04 2.28 2.42 1dj2B1 PRO 295 HB3 0.04 0.07 -0.07 -0.04 2.02 2.01 1dj2B1 PRO 295 HG2 0.12 0.06 0.06 -0.04 2.03 2.22 1dj2B1 PRO 295 HG3 0.01 0.04 0.02 -0.04 2.03 2.05 1dj2B1 PRO 295 HD2 0.08 0.17 0.21 -0.04 3.68 4.11 1dj2B1 PRO 295 HD3 -0.13 0.06 0.19 -0.04 3.65 3.73 1dj2B1 PHE 296 H 0.01 0.22 -0.03 -0.55 8.34 7.98 1dj2B1 PHE 296 HA -0.40 0.08 0.58 -0.75 4.62 4.12 1dj2B1 PHE 296 HB2 -0.40 0.16 -0.36 -0.04 3.15 2.51 1dj2B1 PHE 296 HB3 -0.22 0.02 0.07 -0.04 3.06 2.88 1dj2B1 PHE 296 HD2 -0.28 0.04 -0.18 -0.04 7.28 6.82 1dj2B1 PHE 296 HE2 -0.11 0.01 -0.54 -0.04 7.38 6.70 1dj2B1 PHE 296 HZ -0.09 0.01 -0.61 -0.04 7.32 6.59 1dj2B1 PRO 297 HA -0.04 0.21 0.43 -0.51 4.44 4.54 1dj2B1 PRO 297 HB2 0.22 -0.11 0.01 -0.04 2.28 2.36 1dj2B1 PRO 297 HB3 -0.23 0.08 -0.02 -0.04 2.02 1.81 1dj2B1 PRO 297 HG2 0.32 -0.00 -0.01 -0.04 2.03 2.30 1dj2B1 PRO 297 HG3 -0.02 0.22 0.03 -0.04 2.03 2.22 1dj2B1 PRO 297 HD2 0.36 0.01 0.08 -0.04 3.68 4.09 1dj2B1 PRO 297 HD3 0.19 0.22 -0.16 -0.04 3.65 3.87 1dj2B1 THR 298 H 0.23 0.07 -0.19 -0.55 8.28 7.84 1dj2B1 THR 298 HA 0.26 0.24 0.70 -0.75 4.39 4.83 1dj2B1 THR 298 HB 0.38 -0.28 0.17 -0.04 4.32 4.54 1dj2B1 THR 298 HG23 0.42 0.00 -0.13 -0.04 1.22 1.47 1dj2B1 GLU 299 H -0.62 0.36 -0.53 -0.55 8.60 7.27 1dj2B1 GLU 299 HA -1.23 0.02 0.26 -0.75 4.29 2.58 1dj2B1 GLU 299 HB2 -1.47 -0.05 -0.02 -0.04 2.09 0.51 1dj2B1 GLU 299 HB3 -0.44 0.09 0.04 -0.04 1.99 1.63 1dj2B1 GLU 299 HG2 -0.30 -0.03 -0.40 -0.04 2.34 1.57 1dj2B1 GLU 299 HG3 -0.43 -0.03 -0.07 -0.04 2.34 1.78 1dj2B1 ASN 300 H -0.37 0.88 0.55 -0.55 8.53 9.04 1dj2B1 ASN 300 HA -0.10 0.14 0.91 -0.75 4.76 4.96 1dj2B1 ASN 300 HB2 -0.24 0.07 0.02 -0.04 2.88 2.68 1dj2B1 ASN 300 HB3 -0.30 0.05 0.08 -0.04 2.79 2.58 1dj2B1 ASN 300 HD21 0.12 -0.07 -0.01 -0.04 7.03 7.03 1dj2B1 ASN 300 HD22 0.33 0.13 -0.03 -0.04 7.74 8.12 1dj2B1 LEU 301 H -0.07 0.20 0.09 -0.55 8.37 8.04 1dj2B1 LEU 301 HA -0.09 0.24 0.91 -0.75 4.35 4.67 1dj2B1 LEU 301 HB2 -0.05 0.00 0.11 -0.04 1.64 1.66 1dj2B1 LEU 301 HB3 -0.05 0.02 0.21 -0.04 1.64 1.78 1dj2B1 LEU 301 HG -0.12 -0.04 -0.36 -0.04 1.64 1.09 1dj2B1 LEU 301 HD13 -0.06 0.01 -0.02 -0.04 0.93 0.82 1dj2B1 LEU 301 HD23 -0.07 0.02 -0.02 -0.04 0.89 0.78 1dj2B1 GLY 302 H -0.07 -0.03 -0.28 -0.55 8.43 7.50 1dj2B1 GLY 302 HA2 -0.03 0.34 0.85 -0.51 4.01 4.66 1dj2B1 GLY 302 HA3 -0.03 -0.01 0.36 -0.51 4.01 3.82 1dj2B1 THR 303 H -0.02 0.21 0.15 -0.55 8.28 8.07 1dj2B1 THR 303 HA -0.03 0.14 0.39 -0.75 4.39 4.13 1dj2B1 THR 303 HB -0.01 -0.08 0.16 -0.04 4.32 4.35 1dj2B1 THR 303 HG23 -0.02 0.03 -0.09 -0.04 1.22 1.09 1dj2B1 GLY 304 H -0.00 0.12 -0.02 -0.55 8.43 7.99 1dj2B1 GLY 304 HA2 -0.07 0.11 0.39 -0.51 4.01 3.94 1dj2B1 GLY 304 HA3 0.01 0.08 0.26 -0.51 4.01 3.84 1dj2B1 GLY 305 H -0.11 -0.06 -0.58 -0.55 8.43 7.14 1dj2B1 GLY 305 HA2 -0.27 0.07 0.45 -0.51 4.01 3.75 1dj2B1 GLY 305 HA3 -0.16 0.21 0.23 -0.51 4.01 3.78 1dj2B1 ASP 306 H -0.09 0.64 0.07 -0.55 8.40 8.47 1dj2B1 ASP 306 HA -0.07 0.06 0.35 -0.75 4.63 4.21 1dj2B1 ASP 306 HB2 -0.04 0.04 0.07 -0.04 2.71 2.75 1dj2B1 ASP 306 HB3 -0.01 -0.02 0.03 -0.04 2.70 2.66 1dj2B1 LEU 307 H -0.11 0.42 -0.45 -0.55 8.37 7.68 1dj2B1 LEU 307 HA -0.06 0.05 0.55 -0.75 4.35 4.13 1dj2B1 LEU 307 HB2 -0.08 0.11 0.04 -0.04 1.64 1.67 1dj2B1 LEU 307 HB3 -0.14 0.05 0.06 -0.04 1.64 1.57 1dj2B1 LEU 307 HG -0.07 -0.02 0.01 -0.04 1.64 1.52 1dj2B1 LEU 307 HD13 -0.06 -0.01 -0.07 -0.04 0.93 0.75 1dj2B1 LEU 307 HD23 -0.12 -0.02 -0.20 -0.04 0.89 0.51 1dj2B1 LEU 308 H -0.24 0.59 0.01 -0.55 8.37 8.17 1dj2B1 LEU 308 HA -0.36 0.04 0.49 -0.75 4.35 3.76 1dj2B1 LEU 308 HB2 -0.35 0.12 0.21 -0.04 1.64 1.58 1dj2B1 LEU 308 HB3 -0.60 -0.06 0.00 -0.04 1.64 0.95 1dj2B1 LEU 308 HG -0.55 0.13 0.11 -0.04 1.64 1.28 1dj2B1 LEU 308 HD13 -0.81 -0.03 -0.03 -0.04 0.93 0.01 1dj2B1 LEU 308 HD23 -0.80 -0.02 -0.03 -0.04 0.89 0.00 1dj2B1 ARG 309 H -0.16 0.48 -0.27 -0.55 8.46 7.95 1dj2B1 ARG 309 HA -0.13 -0.01 0.39 -0.75 4.34 3.84 1dj2B1 ARG 309 HB2 -0.20 0.09 0.09 -0.04 1.90 1.84 1dj2B1 ARG 309 HB3 -0.16 0.12 0.07 -0.04 1.80 1.79 1dj2B1 ARG 309 HG2 -0.92 -0.08 -0.28 -0.04 1.67 0.35 1dj2B1 ARG 309 HG3 -0.62 0.16 0.10 -0.04 1.67 1.27 1dj2B1 ARG 309 HD2 -0.22 -0.01 -0.02 -0.04 3.22 2.92 1dj2B1 ARG 309 HD3 -1.14 -0.03 -0.02 -0.04 3.22 1.98 1dj2B1 LEU 310 H -0.03 0.36 -0.21 -0.55 8.37 7.94 1dj2B1 LEU 310 HA 0.24 0.07 0.57 -0.75 4.35 4.48 1dj2B1 LEU 310 HB2 0.01 0.05 0.18 -0.04 1.64 1.84 1dj2B1 LEU 310 HB3 0.06 -0.03 0.02 -0.04 1.64 1.65 1dj2B1 LEU 310 HG 0.07 0.33 0.16 -0.04 1.64 2.16 1dj2B1 LEU 310 HD13 0.02 -0.04 -0.01 -0.04 0.93 0.87 1dj2B1 LEU 310 HD23 0.24 -0.02 -0.02 -0.04 0.89 1.05 1dj2B1 ALA 311 H -0.05 0.63 0.03 -0.55 8.40 8.47 1dj2B1 ALA 311 HA -0.00 0.03 0.43 -0.75 4.34 4.04 1dj2B1 ALA 311 HB3 -0.08 -0.01 0.14 -0.04 1.41 1.41 1dj2B1 GLY 312 H -0.01 0.40 -0.40 -0.55 8.43 7.87 1dj2B1 GLY 312 HA2 0.09 0.07 0.68 -0.51 4.01 4.35 1dj2B1 GLY 312 HA3 0.14 -0.01 0.27 -0.51 4.01 3.89 1dj2B1 GLN 313 H 0.09 0.25 -0.52 -0.55 8.47 7.75 1dj2B1 GLN 313 HA 0.29 0.05 0.32 -0.75 4.36 4.27 1dj2B1 GLN 313 HB2 0.12 0.12 0.02 -0.04 2.15 2.37 1dj2B1 GLN 313 HB3 0.16 -0.07 0.20 -0.04 2.02 2.27 1dj2B1 GLN 313 HG2 0.08 0.05 -0.28 -0.04 2.40 2.21 1dj2B1 GLN 313 HG3 0.08 -0.07 -0.05 -0.04 2.39 2.30 1dj2B1 GLN 313 HE21 0.04 -0.10 0.02 -0.04 6.97 6.89 1dj2B1 GLN 313 HE22 0.05 -0.03 -0.00 -0.04 7.69 7.67 1dj2B1 GLU 314 H -0.02 0.42 -0.11 -0.55 8.60 8.34 1dj2B1 GLU 314 HA 0.00 0.08 0.37 -0.75 4.29 3.99 1dj2B1 GLU 314 HB2 -0.19 -0.03 0.19 -0.04 2.09 2.02 1dj2B1 GLU 314 HB3 -0.09 -0.07 0.05 -0.04 1.99 1.85 1dj2B1 GLU 314 HG2 0.08 0.01 -0.11 -0.04 2.34 2.28 1dj2B1 GLU 314 HG3 0.14 -0.04 -0.13 -0.04 2.34 2.27 1dj2B1 PHE 315 H 0.18 0.66 0.22 -0.55 8.34 8.85 1dj2B1 PHE 315 HA 0.02 0.22 0.70 -0.75 4.62 4.80 1dj2B1 PHE 315 HB2 0.02 0.03 -0.12 -0.04 3.15 3.04 1dj2B1 PHE 315 HB3 0.02 0.01 -0.19 -0.04 3.06 2.86 1dj2B1 PHE 315 HD2 0.01 0.08 -0.36 -0.04 7.28 6.97 1dj2B1 PHE 315 HE2 -0.00 -0.02 -0.12 -0.04 7.38 7.20 1dj2B1 PHE 315 HZ -0.01 -0.04 -0.10 -0.04 7.32 7.13 1dj2B1 GLY 316 H 0.15 0.53 -0.01 -0.55 8.43 8.56 1dj2B1 GLY 316 HA2 0.07 0.06 0.43 -0.51 4.01 4.07 1dj2B1 GLY 316 HA3 0.08 -0.13 0.40 -0.51 4.01 3.85 1dj2B1 THR 317 H 0.06 0.13 0.24 -0.55 8.28 8.17 1dj2B1 THR 317 HA 0.06 0.22 0.51 -0.75 4.39 4.43 1dj2B1 THR 317 HB 0.06 -0.04 0.08 -0.04 4.32 4.38 1dj2B1 THR 317 HG23 0.05 0.02 0.02 -0.04 1.22 1.27 1dj2B1 THR 318 H 0.06 -0.04 -0.00 -0.55 8.28 7.74 1dj2B1 THR 318 HA 0.04 0.26 0.73 -0.75 4.39 4.66 1dj2B1 THR 318 HB 0.05 -0.04 0.02 -0.04 4.32 4.30 1dj2B1 THR 318 HG23 0.03 0.02 0.03 -0.04 1.22 1.25 1dj2B1 THR 319 H 0.05 -0.21 -0.19 -0.55 8.28 7.39 1dj2B1 THR 319 HA 0.04 0.32 0.96 -0.75 4.39 4.95 1dj2B1 THR 319 HB 0.05 0.04 0.00 -0.04 4.32 4.37 1dj2B1 THR 319 HG23 0.04 0.02 -0.07 -0.04 1.22 1.16 1dj2B1 GLY 320 H 0.08 0.03 -0.03 -0.55 8.43 7.96 1dj2B1 GLY 320 HA2 0.11 0.21 0.26 -0.51 4.01 4.07 1dj2B1 GLY 320 HA3 0.04 0.13 0.53 -0.51 4.01 4.20 1dj2B1 ARG 321 H 0.10 -0.13 -0.24 -0.55 8.46 7.63 1dj2B1 ARG 321 HA 0.12 0.18 0.44 -0.75 4.34 4.33 1dj2B1 ARG 321 HB2 0.06 -0.14 0.06 -0.04 1.90 1.84 1dj2B1 ARG 321 HB3 0.06 0.17 -0.01 -0.04 1.80 1.98 1dj2B1 ARG 321 HG2 0.06 0.08 -0.03 -0.04 1.67 1.75 1dj2B1 ARG 321 HG3 0.06 -0.09 -0.08 -0.04 1.67 1.52 1dj2B1 ARG 321 HD2 0.06 -0.06 -0.00 -0.04 3.22 3.18 1dj2B1 ARG 321 HD3 0.06 0.06 -0.00 -0.04 3.22 3.30 1dj2B1 PRO 322 HA -0.31 0.12 0.51 -0.51 4.44 4.25 1dj2B1 PRO 322 HB2 -0.07 0.04 -0.02 -0.04 2.28 2.19 1dj2B1 PRO 322 HB3 0.10 0.02 0.11 -0.04 2.02 2.21 1dj2B1 PRO 322 HG2 0.02 0.02 0.12 -0.04 2.03 2.14 1dj2B1 PRO 322 HG3 0.06 0.01 0.08 -0.04 2.03 2.14 1dj2B1 PRO 322 HD2 0.08 0.03 0.22 -0.04 3.68 3.97 1dj2B1 PRO 322 HD3 0.17 0.18 0.23 -0.04 3.65 4.18 1dj2B1 ARG 323 H -0.31 0.52 0.31 -0.55 8.46 8.42 1dj2B1 ARG 323 HA -0.06 0.20 0.91 -0.75 4.34 4.63 1dj2B1 ARG 323 HB2 -0.12 0.05 0.01 -0.04 1.90 1.80 1dj2B1 ARG 323 HB3 -0.06 -0.07 -0.11 -0.04 1.80 1.52 1dj2B1 ARG 323 HG2 -0.03 0.07 -0.12 -0.04 1.67 1.55 1dj2B1 ARG 323 HG3 -0.05 0.03 -0.30 -0.04 1.67 1.32 1dj2B1 ARG 323 HD2 -0.03 -0.09 -0.20 -0.04 3.22 2.86 1dj2B1 ARG 323 HD3 -0.00 -0.07 -0.14 -0.04 3.22 2.97 1dj2B1 ARG 324 H -0.04 0.38 0.24 -0.55 8.46 8.48 1dj2B1 ARG 324 HA -0.02 0.02 0.44 -0.75 4.34 4.02 1dj2B1 ARG 324 HB2 0.06 0.00 0.15 -0.04 1.90 2.07 1dj2B1 ARG 324 HB3 0.21 -0.05 -0.01 -0.04 1.80 1.92 1dj2B1 ARG 324 HG2 -0.02 -0.05 0.02 -0.04 1.67 1.58 1dj2B1 ARG 324 HG3 -0.04 0.05 0.10 -0.04 1.67 1.74 1dj2B1 ARG 324 HD2 -0.08 -0.05 -0.03 -0.04 3.22 3.03 1dj2B1 ARG 324 HD3 -0.10 0.21 -0.06 -0.04 3.22 3.22 1dj2B1 CYS 325 H -0.05 0.21 0.29 -0.55 8.50 8.40 1dj2B1 CYS 325 HA 0.17 0.27 1.08 -0.75 4.58 5.35 1dj2B1 CYS 325 HB2 -0.14 -0.02 0.18 -0.04 2.97 2.95 1dj2B1 CYS 325 HB3 -0.06 -0.02 0.13 -0.04 2.97 2.98 1dj2B1 GLY 326 H 0.13 0.57 0.29 -0.55 8.43 8.87 1dj2B1 GLY 326 HA2 -0.46 0.04 0.62 -0.51 4.01 3.71 1dj2B1 GLY 326 HA3 -0.29 0.06 0.11 -0.51 4.01 3.38 1dj2B1 TRP 327 H 0.15 0.38 0.16 -0.55 7.97 8.11 1dj2B1 TRP 327 HA 0.21 0.16 0.88 -0.75 4.62 5.12 1dj2B1 TRP 327 HB2 0.29 -0.06 -0.08 -0.04 3.23 3.33 1dj2B1 TRP 327 HB3 0.21 0.30 0.03 -0.04 3.23 3.72 1dj2B1 TRP 327 HD1 -0.13 0.10 -0.03 -0.04 7.22 7.11 1dj2B1 TRP 327 HE1 -0.22 -0.03 -0.06 -0.04 10.20 9.85 1dj2B1 TRP 327 HE3 0.09 0.18 0.20 -0.04 7.59 8.02 1dj2B1 TRP 327 HZ2 -0.13 -0.08 -0.00 -0.04 7.44 7.19 1dj2B1 TRP 327 HZ3 -0.09 0.06 0.12 -0.04 7.13 7.19 1dj2B1 TRP 327 HH2 -0.12 0.05 0.08 -0.04 7.19 7.15 1dj2B1 LEU 328 H 0.54 0.32 0.23 -0.55 8.37 8.92 1dj2B1 LEU 328 HA 0.29 -0.01 0.15 -0.75 4.35 4.03 1dj2B1 LEU 328 HB2 0.35 0.29 -0.05 -0.04 1.64 2.18 1dj2B1 LEU 328 HB3 0.34 -0.02 0.18 -0.04 1.64 2.09 1dj2B1 LEU 328 HG 0.14 -0.10 -0.43 -0.04 1.64 1.22 1dj2B1 LEU 328 HD13 0.12 0.05 -0.14 -0.04 0.93 0.92 1dj2B1 LEU 328 HD23 0.04 0.02 -0.07 -0.04 0.89 0.84 1dj2B1 ASP 329 H 0.31 0.12 0.11 -0.55 8.40 8.39 1dj2B1 ASP 329 HA 0.29 0.06 0.64 -0.75 4.63 4.86 1dj2B1 ASP 329 HB2 0.45 0.08 0.12 -0.04 2.71 3.32 1dj2B1 ASP 329 HB3 0.34 -0.04 0.17 -0.04 2.70 3.13 1dj2B1 ILE 330 H 0.14 0.38 0.22 -0.55 8.25 8.43 1dj2B1 ILE 330 HA 0.06 0.07 0.43 -0.75 4.18 3.99 1dj2B1 ILE 330 HB 0.04 0.20 0.02 -0.04 1.89 2.11 1dj2B1 ILE 330 HG12 0.11 -0.05 -0.12 -0.04 1.49 1.38 1dj2B1 ILE 330 HG13 0.04 0.03 -0.13 -0.04 1.21 1.11 1dj2B1 ILE 330 HG23 0.01 0.01 -0.12 -0.04 0.93 0.79 1dj2B1 ILE 330 HD13 0.03 0.00 -0.12 -0.04 0.88 0.75 1dj2B1 VAL 331 H 0.00 0.26 -0.05 -0.55 8.24 7.91 1dj2B1 VAL 331 HA -0.09 0.19 0.48 -0.75 4.13 3.96 1dj2B1 VAL 331 HB -0.53 -0.10 -0.02 -0.04 2.12 1.44 1dj2B1 VAL 331 HG13 -0.61 0.02 -0.20 -0.04 0.97 0.14 1dj2B1 VAL 331 HG23 -0.42 0.06 -0.16 -0.04 0.95 0.39 1dj2B1 ALA 332 H 0.12 0.07 -0.22 -0.55 8.40 7.82 1dj2B1 ALA 332 HA -0.16 0.09 0.44 -0.75 4.34 3.95 1dj2B1 ALA 332 HB3 0.04 0.03 0.05 -0.04 1.41 1.49 1dj2B1 LEU 333 H 0.05 0.23 -0.57 -0.55 8.37 7.53 1dj2B1 LEU 333 HA -0.01 0.04 0.60 -0.75 4.35 4.23 1dj2B1 LEU 333 HB2 0.04 -0.00 0.02 -0.04 1.64 1.66 1dj2B1 LEU 333 HB3 0.03 0.10 0.12 -0.04 1.64 1.85 1dj2B1 LEU 333 HG 0.01 0.07 -0.25 -0.04 1.64 1.43 1dj2B1 LEU 333 HD13 -0.01 -0.04 -0.01 -0.04 0.93 0.83 1dj2B1 LEU 333 HD23 0.00 -0.00 -0.11 -0.04 0.89 0.74 1dj2B1 LYS 334 H 0.03 0.54 -0.03 -0.55 8.42 8.41 1dj2B1 LYS 334 HA 0.02 0.11 0.62 -0.75 4.32 4.32 1dj2B1 LYS 334 HB2 0.02 0.03 0.19 -0.04 1.87 2.08 1dj2B1 LYS 334 HB3 0.01 -0.00 0.09 -0.04 1.79 1.85 1dj2B1 LYS 334 HG2 0.00 -0.04 0.09 -0.04 1.46 1.48 1dj2B1 LYS 334 HG3 0.00 0.15 0.08 -0.04 1.46 1.65 1dj2B1 LYS 334 HD2 -0.00 -0.01 0.10 -0.04 1.69 1.74 1dj2B1 LYS 334 HD3 -0.01 0.28 0.04 -0.04 1.68 1.95 1dj2B1 LYS 334 HE2 -0.02 -0.04 -0.01 -0.04 2.99 2.88 1dj2B1 LYS 334 HE3 -0.01 -0.07 0.06 -0.04 2.99 2.93 1dj2B1 PHE 335 H 0.15 0.33 -0.26 -0.55 8.34 8.00 1dj2B1 PHE 335 HA -0.05 0.06 0.46 -0.75 4.62 4.33 1dj2B1 PHE 335 HB2 0.01 -0.01 0.17 -0.04 3.15 3.29 1dj2B1 PHE 335 HB3 -0.17 0.14 0.17 -0.04 3.06 3.16 1dj2B1 PHE 335 HD2 -0.12 -0.03 0.00 -0.04 7.28 7.10 1dj2B1 PHE 335 HE2 0.03 0.06 -0.01 -0.04 7.38 7.42 1dj2B1 PHE 335 HZ 0.20 -0.01 0.04 -0.04 7.32 7.50 1dj2B1 SER 336 H 0.06 0.46 -0.08 -0.55 8.46 8.35 1dj2B1 SER 336 HA -0.27 -0.04 0.41 -0.75 4.49 3.84 1dj2B1 SER 336 HB2 0.08 -0.13 0.12 -0.04 3.95 3.98 1dj2B1 SER 336 HB3 -0.05 0.09 0.22 -0.04 3.93 4.15 1dj2B1 CYS 337 H -0.00 0.35 -0.61 -0.55 8.50 7.69 1dj2B1 CYS 337 HA 0.16 -0.08 0.46 -0.75 4.58 4.37 1dj2B1 CYS 337 HB2 0.01 0.16 0.21 -0.04 2.97 3.31 1dj2B1 CYS 337 HB3 0.02 0.04 0.00 -0.04 2.97 3.00 1dj2B1 GLN 338 H -0.18 0.48 -0.10 -0.55 8.47 8.12 1dj2B1 GLN 338 HA -0.17 0.13 0.70 -0.75 4.36 4.27 1dj2B1 GLN 338 HB2 -0.15 -0.04 0.09 -0.04 2.15 2.00 1dj2B1 GLN 338 HB3 -0.11 0.07 0.14 -0.04 2.02 2.07 1dj2B1 GLN 338 HG2 -0.30 0.30 0.33 -0.04 2.40 2.69 1dj2B1 GLN 338 HG3 -0.35 -0.06 -0.06 -0.04 2.39 1.88 1dj2B1 GLN 338 HE21 0.04 -0.04 0.00 -0.04 6.97 6.93 1dj2B1 GLN 338 HE22 -0.13 -0.02 0.01 -0.04 7.69 7.50 1dj2B1 ILE 339 H -0.48 0.51 -0.01 -0.55 8.25 7.73 1dj2B1 ILE 339 HA -0.54 0.04 0.37 -0.75 4.18 3.30 1dj2B1 ILE 339 HB -0.55 0.04 0.14 -0.04 1.89 1.48 1dj2B1 ILE 339 HG12 -1.14 0.21 0.06 -0.04 1.49 0.58 1dj2B1 ILE 339 HG13 -1.26 -0.04 -0.05 -0.04 1.21 -0.18 1dj2B1 ILE 339 HG23 -0.69 -0.05 -0.09 -0.04 0.93 0.06 1dj2B1 ILE 339 HD13 -1.14 -0.01 0.01 -0.04 0.88 -0.31 1dj2B1 ASN 340 H -0.51 0.38 -0.25 -0.55 8.53 7.61 1dj2B1 ASN 340 HA -0.38 0.07 0.86 -0.75 4.76 4.56 1dj2B1 ASN 340 HB2 -1.84 0.11 -0.00 -0.04 2.88 1.11 1dj2B1 ASN 340 HB3 -0.84 -0.03 -0.01 -0.04 2.79 1.87 1dj2B1 ASN 340 HD21 -0.11 -0.13 0.02 -0.04 7.03 6.76 1dj2B1 ASN 340 HD22 -0.39 0.31 0.05 -0.04 7.74 7.67 1dj2B1 GLY 341 H -0.38 0.27 -0.25 -0.55 8.43 7.52 1dj2B1 GLY 341 HA2 -0.16 0.14 0.39 -0.51 4.01 3.88 1dj2B1 GLY 341 HA3 -0.17 0.01 0.39 -0.51 4.01 3.73 1dj2B1 PHE 342 H -0.25 0.07 0.01 -0.55 8.34 7.62 1dj2B1 PHE 342 HA -0.03 0.02 0.41 -0.75 4.62 4.27 1dj2B1 PHE 342 HB2 -0.04 -0.00 0.04 -0.04 3.15 3.11 1dj2B1 PHE 342 HB3 -0.01 0.14 0.05 -0.04 3.06 3.20 1dj2B1 PHE 342 HD2 -0.05 0.05 -0.28 -0.04 7.28 6.96 1dj2B1 PHE 342 HE2 -0.08 -0.05 -0.28 -0.04 7.38 6.93 1dj2B1 PHE 342 HZ -0.08 -0.06 -0.23 -0.04 7.32 6.90 1dj2B1 ALA 343 H 0.18 0.37 0.43 -0.55 8.40 8.84 1dj2B1 ALA 343 HA 0.08 0.17 0.69 -0.75 4.34 4.52 1dj2B1 ALA 343 HB3 0.08 -0.02 0.14 -0.04 1.41 1.57 1dj2B1 SER 344 H 0.15 0.26 0.24 -0.55 8.46 8.55 1dj2B1 SER 344 HA 0.09 0.41 0.78 -0.75 4.49 5.02 1dj2B1 SER 344 HB2 0.27 -0.08 -0.09 -0.04 3.95 4.01 1dj2B1 SER 344 HB3 0.38 -0.13 0.08 -0.04 3.93 4.21 1dj2B1 LEU 345 H 0.01 0.23 0.39 -0.55 8.37 8.45 1dj2B1 LEU 345 HA -0.13 0.14 0.98 -0.75 4.35 4.58 1dj2B1 LEU 345 HB2 -0.06 -0.03 -0.03 -0.04 1.64 1.48 1dj2B1 LEU 345 HB3 -0.09 -0.02 0.00 -0.04 1.64 1.49 1dj2B1 LEU 345 HG -0.05 0.06 -0.47 -0.04 1.64 1.15 1dj2B1 LEU 345 HD13 -0.05 0.01 -0.18 -0.04 0.93 0.67 1dj2B1 LEU 345 HD23 -0.21 -0.02 -0.04 -0.04 0.89 0.58 1dj2B1 ASN 346 H -0.09 0.57 0.13 -0.55 8.53 8.59 1dj2B1 ASN 346 HA 0.11 0.28 0.97 -0.75 4.76 5.37 1dj2B1 ASN 346 HB2 -0.04 0.02 -0.15 -0.04 2.88 2.67 1dj2B1 ASN 346 HB3 -0.08 -0.13 0.07 -0.04 2.79 2.60 1dj2B1 ASN 346 HD21 -0.06 0.06 -0.14 -0.04 7.03 6.84 1dj2B1 ASN 346 HD22 -0.10 -0.08 -0.11 -0.04 7.74 7.41 1dj2B1 LEU 347 H 0.02 0.48 0.16 -0.55 8.37 8.48 1dj2B1 LEU 347 HA 0.01 0.32 0.75 -0.75 4.35 4.68 1dj2B1 LEU 347 HB2 0.01 -0.02 0.11 -0.04 1.64 1.70 1dj2B1 LEU 347 HB3 0.05 -0.04 0.26 -0.04 1.64 1.87 1dj2B1 LEU 347 HG 0.05 -0.01 -0.01 -0.04 1.64 1.63 1dj2B1 LEU 347 HD13 0.20 -0.01 -0.08 -0.04 0.93 1.00 1dj2B1 LEU 347 HD23 0.09 0.02 -0.19 -0.04 0.89 0.76 1dj2B1 THR 348 H 0.01 0.72 0.38 -0.55 8.28 8.83 1dj2B1 THR 348 HA 0.04 0.03 0.86 -0.75 4.39 4.57 1dj2B1 THR 348 HB 0.01 -0.05 0.17 -0.04 4.32 4.41 1dj2B1 THR 348 HG23 -0.03 0.05 -0.14 -0.04 1.22 1.06 1dj2B1 LYS 349 H 0.08 0.15 0.14 -0.55 8.42 8.23 1dj2B1 LYS 349 HA 0.13 -0.00 0.31 -0.75 4.32 4.01 1dj2B1 LYS 349 HB2 0.15 -0.04 -0.07 -0.04 1.87 1.86 1dj2B1 LYS 349 HB3 0.34 -0.00 0.19 -0.04 1.79 2.27 1dj2B1 LYS 349 HG2 0.11 0.04 0.04 -0.04 1.46 1.60 1dj2B1 LYS 349 HG3 0.05 0.02 -0.03 -0.04 1.46 1.45 1dj2B1 LYS 349 HD2 -0.03 -0.07 -0.06 -0.04 1.69 1.48 1dj2B1 LYS 349 HD3 0.25 0.01 0.00 -0.04 1.68 1.89 1dj2B1 LYS 349 HE2 0.03 0.01 -0.02 -0.04 2.99 2.97 1dj2B1 LYS 349 HE3 0.06 0.03 -0.03 -0.04 2.99 3.00 1dj2B1 LEU 350 H 0.15 0.57 -0.06 -0.55 8.37 8.47 1dj2B1 LEU 350 HA 0.30 0.10 0.46 -0.75 4.35 4.46 1dj2B1 LEU 350 HB2 0.16 0.09 0.01 -0.04 1.64 1.85 1dj2B1 LEU 350 HB3 0.13 0.04 0.03 -0.04 1.64 1.80 1dj2B1 LEU 350 HG 0.21 -0.05 -0.22 -0.04 1.64 1.55 1dj2B1 LEU 350 HD13 0.29 -0.00 0.04 -0.04 0.93 1.22 1dj2B1 LEU 350 HD23 -0.10 0.01 -0.09 -0.04 0.89 0.66 1dj2B1 ASP 351 H 0.17 0.11 -0.10 -0.55 8.40 8.02 1dj2B1 ASP 351 HA 0.29 0.09 0.41 -0.75 4.63 4.67 1dj2B1 ASP 351 HB2 0.11 -0.02 0.03 -0.04 2.71 2.79 1dj2B1 ASP 351 HB3 0.12 0.08 0.02 -0.04 2.70 2.89 1dj2B1 VAL 352 H 0.15 0.24 -0.63 -0.55 8.24 7.45 1dj2B1 VAL 352 HA -0.00 0.11 0.34 -0.75 4.13 3.82 1dj2B1 VAL 352 HB 0.06 0.15 0.03 -0.04 2.12 2.33 1dj2B1 VAL 352 HG13 -0.30 -0.02 -0.09 -0.04 0.97 0.52 1dj2B1 VAL 352 HG23 0.16 -0.00 -0.09 -0.04 0.95 0.98 1dj2B1 LEU 353 H 0.09 0.41 -0.36 -0.55 8.37 7.96 1dj2B1 LEU 353 HA -0.22 0.07 0.55 -0.75 4.35 4.00 1dj2B1 LEU 353 HB2 -0.10 0.12 0.08 -0.04 1.64 1.70 1dj2B1 LEU 353 HB3 -0.31 -0.06 0.15 -0.04 1.64 1.39 1dj2B1 LEU 353 HG 0.16 0.05 0.06 -0.04 1.64 1.87 1dj2B1 LEU 353 HD13 0.07 0.02 0.05 -0.04 0.93 1.03 1dj2B1 LEU 353 HD23 -0.02 -0.02 -0.13 -0.04 0.89 0.68 1dj2B1 SER 354 H -0.10 0.42 -0.60 -0.55 8.46 7.63 1dj2B1 SER 354 HA -0.91 0.13 0.44 -0.75 4.49 3.40 1dj2B1 SER 354 HB2 -0.02 0.08 0.05 -0.04 3.95 4.02 1dj2B1 SER 354 HB3 -0.01 -0.04 -0.07 -0.04 3.93 3.76 1dj2B1 ASP 355 H -0.22 0.17 -0.30 -0.55 8.40 7.50 1dj2B1 ASP 355 HA -0.16 0.19 0.76 -0.75 4.63 4.67 1dj2B1 ASP 355 HB2 -0.10 -0.02 -0.03 -0.04 2.71 2.53 1dj2B1 ASP 355 HB3 -0.11 0.01 -0.02 -0.04 2.70 2.53 1dj2B1 LEU 356 H -0.37 0.36 -0.45 -0.55 8.37 7.36 1dj2B1 LEU 356 HA -0.12 0.03 0.75 -0.75 4.35 4.27 1dj2B1 LEU 356 HB2 -0.31 0.22 0.06 -0.04 1.64 1.57 1dj2B1 LEU 356 HB3 -0.10 -0.01 -0.21 -0.04 1.64 1.28 1dj2B1 LEU 356 HG -0.15 -0.01 -0.07 -0.04 1.64 1.37 1dj2B1 LEU 356 HD13 0.12 0.00 0.01 -0.04 0.93 1.02 1dj2B1 LEU 356 HD23 0.01 0.01 -0.01 -0.04 0.89 0.86 1dj2B1 ASN 357 H -0.08 0.09 0.13 -0.55 8.53 8.12 1dj2B1 ASN 357 HA -0.10 0.14 0.45 -0.75 4.76 4.50 1dj2B1 ASN 357 HB2 -0.06 0.01 0.02 -0.04 2.88 2.81 1dj2B1 ASN 357 HB3 -0.06 0.04 0.09 -0.04 2.79 2.81 1dj2B1 ASN 357 HD21 -0.04 -0.01 0.07 -0.04 7.03 7.01 1dj2B1 ASN 357 HD22 -0.05 0.04 0.02 -0.04 7.74 7.70 1dj2B1 GLU 358 H -0.08 0.12 0.07 -0.55 8.60 8.17 1dj2B1 GLU 358 HA -0.09 0.15 0.92 -0.75 4.29 4.52 1dj2B1 GLU 358 HB2 -0.11 -0.08 0.02 -0.04 2.09 1.88 1dj2B1 GLU 358 HB3 -0.12 0.06 -0.09 -0.04 1.99 1.81 1dj2B1 GLU 358 HG2 -0.05 0.09 -0.08 -0.04 2.34 2.25 1dj2B1 GLU 358 HG3 -0.06 -0.07 -0.29 -0.04 2.34 1.88 1dj2B1 ILE 359 H -0.10 0.76 0.24 -0.55 8.25 8.61 1dj2B1 ILE 359 HA -0.22 0.09 0.91 -0.75 4.18 4.21 1dj2B1 ILE 359 HB -0.07 0.02 0.04 -0.04 1.89 1.84 1dj2B1 ILE 359 HG12 -0.10 -0.01 -0.05 -0.04 1.49 1.28 1dj2B1 ILE 359 HG13 -0.18 -0.06 -0.24 -0.04 1.21 0.69 1dj2B1 ILE 359 HG23 0.03 0.01 0.01 -0.04 0.93 0.94 1dj2B1 ILE 359 HD13 -0.38 0.04 -0.02 -0.04 0.88 0.48 1dj2B1 GLN 360 H -1.21 0.14 0.23 -0.55 8.47 7.07 1dj2B1 GLN 360 HA -0.28 0.43 1.21 -0.75 4.36 4.96 1dj2B1 GLN 360 HB2 -2.46 -0.06 0.05 -0.04 2.15 -0.37 1dj2B1 GLN 360 HB3 -0.75 -0.02 0.02 -0.04 2.02 1.23 1dj2B1 GLN 360 HG2 -0.54 0.08 -0.23 -0.04 2.40 1.67 1dj2B1 GLN 360 HG3 -1.15 -0.01 -0.17 -0.04 2.39 1.02 1dj2B1 GLN 360 HE21 -0.60 0.01 -0.05 -0.04 6.97 6.30 1dj2B1 GLN 360 HE22 -1.08 -0.04 -0.04 -0.04 7.69 6.49 1dj2B1 LEU 361 H 0.08 0.32 0.38 -0.55 8.37 8.60 1dj2B1 LEU 361 HA 0.31 0.21 0.94 -0.75 4.35 5.06 1dj2B1 LEU 361 HB2 0.12 -0.02 0.14 -0.04 1.64 1.84 1dj2B1 LEU 361 HB3 0.13 0.01 -0.07 -0.04 1.64 1.67 1dj2B1 LEU 361 HG 0.26 -0.01 -0.27 -0.04 1.64 1.57 1dj2B1 LEU 361 HD13 0.03 0.01 -0.10 -0.04 0.93 0.83 1dj2B1 LEU 361 HD23 0.13 0.02 0.02 -0.04 0.89 1.02 1dj2B1 GLY 362 H 0.30 0.62 0.11 -0.55 8.43 8.92 1dj2B1 GLY 362 HA2 -0.11 0.13 0.53 -0.51 4.01 4.06 1dj2B1 GLY 362 HA3 0.19 -0.05 0.35 -0.51 4.01 3.99 1dj2B1 VAL 363 H 0.01 0.51 0.18 -0.55 8.24 8.39 1dj2B1 VAL 363 HA 0.02 -0.00 0.44 -0.75 4.13 3.84 1dj2B1 VAL 363 HB 0.01 0.21 0.10 -0.04 2.12 2.39 1dj2B1 VAL 363 HG13 0.01 -0.00 -0.06 -0.04 0.97 0.88 1dj2B1 VAL 363 HG23 0.05 0.00 -0.04 -0.04 0.95 0.92 1dj2B1 ALA 364 H -0.01 0.19 0.09 -0.55 8.40 8.13 1dj2B1 ALA 364 HA -0.06 0.14 0.60 -0.75 4.34 4.26 1dj2B1 ALA 364 HB3 -0.00 0.05 -0.01 -0.04 1.41 1.41 1dj2B1 TYR 365 H 0.04 0.30 0.22 -0.55 8.29 8.31 1dj2B1 TYR 365 HA -0.12 0.32 0.94 -0.75 4.56 4.95 1dj2B1 TYR 365 HB2 -0.05 0.06 0.05 -0.04 3.06 3.08 1dj2B1 TYR 365 HB3 -0.09 -0.00 -0.04 -0.04 2.98 2.80 1dj2B1 TYR 365 HD2 -0.05 0.11 -0.37 -0.04 7.15 6.79 1dj2B1 TYR 365 HE2 0.05 -0.02 -0.12 -0.04 6.85 6.72 1dj2B1 LYS 366 H -0.28 0.45 0.26 -0.55 8.42 8.30 1dj2B1 LYS 366 HA -0.08 0.04 0.72 -0.75 4.32 4.24 1dj2B1 LYS 366 HB2 -0.51 0.01 -0.03 -0.04 1.87 1.30 1dj2B1 LYS 366 HB3 -0.07 0.12 -0.10 -0.04 1.79 1.70 1dj2B1 LYS 366 HG2 -0.03 0.17 -0.18 -0.04 1.46 1.37 1dj2B1 LYS 366 HG3 -0.05 -0.08 -0.42 -0.04 1.46 0.88 1dj2B1 LYS 366 HD2 0.03 -0.05 -0.07 -0.04 1.69 1.56 1dj2B1 LYS 366 HD3 0.09 -0.02 -0.08 -0.04 1.68 1.63 1dj2B1 LYS 366 HE2 0.02 0.27 -0.03 -0.04 2.99 3.21 1dj2B1 LYS 366 HE3 0.01 -0.09 0.04 -0.04 2.99 2.91 1dj2B1 ARG 367 H -0.05 0.72 0.01 -0.55 8.46 8.59 1dj2B1 ARG 367 HA -0.07 0.08 0.45 -0.75 4.34 4.05 1dj2B1 ARG 367 HB2 -0.01 0.06 0.08 -0.04 1.90 1.99 1dj2B1 ARG 367 HB3 0.00 -0.19 0.12 -0.04 1.80 1.69 1dj2B1 ARG 367 HG2 -0.03 -0.02 0.05 -0.04 1.67 1.63 1dj2B1 ARG 367 HG3 -0.02 0.10 -0.03 -0.04 1.67 1.68 1dj2B1 ARG 367 HD2 -0.00 0.03 -0.00 -0.04 3.22 3.20 1dj2B1 ARG 367 HD3 -0.00 -0.06 0.03 -0.04 3.22 3.15 1dj2B1 SER 368 H 0.02 0.11 0.10 -0.55 8.46 8.14 1dj2B1 SER 368 HA 0.13 0.19 0.41 -0.75 4.49 4.45 1dj2B1 SER 368 HB2 0.02 -0.12 0.13 -0.04 3.95 3.94 1dj2B1 SER 368 HB3 0.03 0.06 0.03 -0.04 3.93 4.01 1dj2B1 ASP 369 H 0.03 0.00 -0.09 -0.55 8.40 7.79 1dj2B1 ASP 369 HA 0.03 0.14 0.32 -0.75 4.63 4.37 1dj2B1 ASP 369 HB2 0.02 0.05 0.09 -0.04 2.71 2.83 1dj2B1 ASP 369 HB3 0.01 -0.00 0.08 -0.04 2.70 2.75 1dj2B1 GLY 370 H 0.06 0.13 -0.79 -0.55 8.43 7.27 1dj2B1 GLY 370 HA2 0.09 0.11 0.19 -0.51 4.01 3.89 1dj2B1 GLY 370 HA3 0.04 0.22 0.85 -0.51 4.01 4.60 1dj2B1 THR 371 H 0.02 -0.00 -0.23 -0.55 8.28 7.51 1dj2B1 THR 371 HA 0.01 0.15 0.44 -0.75 4.39 4.24 1dj2B1 THR 371 HB 0.00 0.13 0.03 -0.04 4.32 4.44 1dj2B1 THR 371 HG23 0.01 0.01 -0.01 -0.04 1.22 1.19 1dj2B1 PRO 372 HA -0.01 0.11 0.68 -0.51 4.44 4.70 1dj2B1 PRO 372 HB2 0.00 -0.04 0.02 -0.04 2.28 2.23 1dj2B1 PRO 372 HB3 0.00 0.10 0.13 -0.04 2.02 2.21 1dj2B1 PRO 372 HG2 0.01 0.00 0.10 -0.04 2.03 2.10 1dj2B1 PRO 372 HG3 0.01 0.10 0.14 -0.04 2.03 2.23 1dj2B1 PRO 372 HD2 0.01 0.04 0.22 -0.04 3.68 3.90 1dj2B1 PRO 372 HD3 0.01 0.18 0.29 -0.04 3.65 4.09 1dj2B1 VAL 373 H 0.02 0.48 0.07 -0.55 8.24 8.26 1dj2B1 VAL 373 HA 0.01 0.03 0.63 -0.75 4.13 4.04 1dj2B1 VAL 373 HB 0.15 -0.04 -0.04 -0.04 2.12 2.15 1dj2B1 VAL 373 HG13 0.06 0.00 -0.18 -0.04 0.97 0.82 1dj2B1 VAL 373 HG23 0.01 -0.02 -0.19 -0.04 0.95 0.71 1dj2B1 LYS 374 H 0.01 0.00 0.11 -0.55 8.42 7.99 1dj2B1 LYS 374 HA 0.00 0.08 0.38 -0.75 4.32 4.04 1dj2B1 LYS 374 HB2 0.02 0.03 0.03 -0.04 1.87 1.91 1dj2B1 LYS 374 HB3 0.01 0.03 0.11 -0.04 1.79 1.89 1dj2B1 LYS 374 HG2 0.02 -0.26 0.15 -0.04 1.46 1.33 1dj2B1 LYS 374 HG3 0.02 0.03 0.06 -0.04 1.46 1.52 1dj2B1 LYS 374 HD2 0.01 0.04 0.08 -0.04 1.69 1.77 1dj2B1 LYS 374 HD3 0.01 0.00 0.24 -0.04 1.68 1.89 1dj2B1 LYS 374 HE2 0.01 -0.01 0.03 -0.04 2.99 2.98 1dj2B1 LYS 374 HE3 0.00 -0.02 0.04 -0.04 2.99 2.97 1dj2B1 SER 375 H 0.03 0.08 0.04 -0.55 8.46 8.06 1dj2B1 SER 375 HA 0.03 0.23 0.78 -0.75 4.49 4.79 1dj2B1 SER 375 HB2 0.11 0.00 -0.05 -0.04 3.95 3.97 1dj2B1 SER 375 HB3 0.19 -0.02 0.10 -0.04 3.93 4.15 1dj2B1 PHE 376 H 0.17 0.13 0.05 -0.55 8.34 8.13 1dj2B1 PHE 376 HA -0.02 0.05 0.33 -0.75 4.62 4.22 1dj2B1 PHE 376 HB2 -0.24 -0.02 0.01 -0.04 3.15 2.85 1dj2B1 PHE 376 HB3 -1.03 -0.02 0.10 -0.04 3.06 2.07 1dj2B1 PHE 376 HD2 -0.38 -0.08 -0.17 -0.04 7.28 6.60 1dj2B1 PHE 376 HE2 0.13 0.02 -0.11 -0.04 7.38 7.37 1dj2B1 PHE 376 HZ 0.23 -0.01 -0.08 -0.04 7.32 7.42 1dj2B1 PRO 377 HA -0.10 0.04 0.56 -0.51 4.44 4.43 1dj2B1 PRO 377 HB2 -0.13 -0.11 -0.03 -0.04 2.28 1.97 1dj2B1 PRO 377 HB3 -0.09 0.03 0.07 -0.04 2.02 1.99 1dj2B1 PRO 377 HG2 -0.40 0.07 -0.05 -0.04 2.03 1.60 1dj2B1 PRO 377 HG3 -0.15 0.01 -0.09 -0.04 2.03 1.76 1dj2B1 PRO 377 HD2 -0.51 0.03 0.14 -0.04 3.68 3.30 1dj2B1 PRO 377 HD3 -0.04 0.22 0.14 -0.04 3.65 3.94 1dj2B1 GLY 378 H -0.03 0.05 0.16 -0.55 8.43 8.06 1dj2B1 GLY 378 HA2 0.04 0.29 0.51 -0.51 4.01 4.34 1dj2B1 GLY 378 HA3 0.05 0.02 0.29 -0.51 4.01 3.85 1dj2B1 ASP 379 H -0.03 -0.02 -0.03 -0.55 8.40 7.77 1dj2B1 ASP 379 HA 0.03 0.10 0.50 -0.75 4.63 4.50 1dj2B1 ASP 379 HB2 -0.00 0.08 0.12 -0.04 2.71 2.87 1dj2B1 ASP 379 HB3 -0.03 -0.03 0.14 -0.04 2.70 2.75 1dj2B1 LEU 380 H 0.06 0.25 0.24 -0.55 8.37 8.38 1dj2B1 LEU 380 HA 0.04 0.15 0.36 -0.75 4.35 4.15 1dj2B1 LEU 380 HB2 0.13 0.29 0.16 -0.04 1.64 2.18 1dj2B1 LEU 380 HB3 0.09 -0.11 0.15 -0.04 1.64 1.73 1dj2B1 LEU 380 HG 0.09 -0.03 0.00 -0.04 1.64 1.67 1dj2B1 LEU 380 HD13 0.31 0.04 0.01 -0.04 0.93 1.24 1dj2B1 LEU 380 HD23 0.08 -0.02 -0.22 -0.04 0.89 0.69 1dj2B1 ARG 381 H 0.02 0.08 -0.15 -0.55 8.46 7.86 1dj2B1 ARG 381 HA 0.01 0.14 0.39 -0.75 4.34 4.12 1dj2B1 ARG 381 HB2 0.02 0.03 0.09 -0.04 1.90 1.99 1dj2B1 ARG 381 HB3 0.00 -0.06 0.04 -0.04 1.80 1.74 1dj2B1 ARG 381 HG2 0.01 0.02 -0.03 -0.04 1.67 1.62 1dj2B1 ARG 381 HG3 -0.00 0.00 -0.15 -0.04 1.67 1.47 1dj2B1 ARG 381 HD2 0.01 0.03 -0.02 -0.04 3.22 3.20 1dj2B1 ARG 381 HD3 0.01 0.02 0.02 -0.04 3.22 3.23 1dj2B1 LEU 382 H -0.02 0.11 -0.19 -0.55 8.37 7.71 1dj2B1 LEU 382 HA -0.04 0.03 0.44 -0.75 4.35 4.03 1dj2B1 LEU 382 HB2 -0.03 -0.03 0.09 -0.04 1.64 1.62 1dj2B1 LEU 382 HB3 -0.06 0.12 0.05 -0.04 1.64 1.71 1dj2B1 LEU 382 HG -0.08 0.07 -0.26 -0.04 1.64 1.33 1dj2B1 LEU 382 HD13 -0.04 -0.02 0.05 -0.04 0.93 0.88 1dj2B1 LEU 382 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.79 1dj2B1 LEU 383 H -0.07 0.31 -0.51 -0.55 8.37 7.56 1dj2B1 LEU 383 HA -0.18 0.03 0.47 -0.75 4.35 3.91 1dj2B1 LEU 383 HB2 -0.13 0.13 -0.02 -0.04 1.64 1.59 1dj2B1 LEU 383 HB3 -0.03 0.12 -0.00 -0.04 1.64 1.68 1dj2B1 LEU 383 HG 0.00 -0.09 -0.05 -0.04 1.64 1.47 1dj2B1 LEU 383 HD13 -0.29 -0.01 -0.02 -0.04 0.93 0.57 1dj2B1 LEU 383 HD23 0.06 0.04 -0.08 -0.04 0.89 0.87 1dj2B1 GLU 384 H -0.04 0.31 -0.32 -0.55 8.60 7.99 1dj2B1 GLU 384 HA -0.05 0.14 0.78 -0.75 4.29 4.41 1dj2B1 GLU 384 HB2 -0.02 0.01 0.11 -0.04 2.09 2.15 1dj2B1 GLU 384 HB3 -0.03 -0.04 0.11 -0.04 1.99 1.99 1dj2B1 GLU 384 HG2 -0.04 -0.04 -0.09 -0.04 2.34 2.13 1dj2B1 GLU 384 HG3 -0.02 0.17 -0.07 -0.04 2.34 2.39 1dj2B1 GLU 385 H -0.05 0.06 -0.27 -0.55 8.60 7.79 1dj2B1 GLU 385 HA -0.01 0.16 0.80 -0.75 4.29 4.48 1dj2B1 GLU 385 HB2 -0.03 0.05 0.16 -0.04 2.09 2.24 1dj2B1 GLU 385 HB3 -0.01 -0.12 -0.00 -0.04 1.99 1.82 1dj2B1 GLU 385 HG2 -0.00 -0.10 -0.00 -0.04 2.34 2.19 1dj2B1 GLU 385 HG3 -0.00 0.03 0.05 -0.04 2.34 2.38 1dj2B1 LEU 386 H -0.09 0.35 0.08 -0.55 8.37 8.17 1dj2B1 LEU 386 HA -0.06 0.01 0.37 -0.75 4.35 3.91 1dj2B1 LEU 386 HB2 -0.21 0.02 -0.02 -0.04 1.64 1.39 1dj2B1 LEU 386 HB3 -0.13 -0.02 0.10 -0.04 1.64 1.54 1dj2B1 LEU 386 HG -0.49 -0.03 -0.22 -0.04 1.64 0.85 1dj2B1 LEU 386 HD13 -0.25 -0.02 -0.11 -0.04 0.93 0.51 1dj2B1 LEU 386 HD23 -0.28 0.02 -0.08 -0.04 0.89 0.51 1dj2B1 HIS 387 H -0.49 0.47 0.30 -0.55 8.41 8.15 1dj2B1 HIS 387 HA -0.08 0.20 0.89 -0.75 4.63 4.89 1dj2B1 HIS 387 HB2 -0.02 -0.01 0.07 -0.04 3.26 3.27 1dj2B1 HIS 387 HB3 -0.03 0.08 -0.04 -0.04 3.20 3.17 1dj2B1 HIS 387 HD2 -0.01 0.00 -0.28 -0.04 6.97 6.63 1dj2B1 HIS 387 HE1 -0.00 0.23 -0.11 -0.04 7.75 7.83 1dj2B1 VAL 388 H 0.01 0.18 0.16 -0.55 8.24 8.04 1dj2B1 VAL 388 HA -0.04 0.34 0.92 -0.75 4.13 4.60 1dj2B1 VAL 388 HB -0.49 -0.01 0.02 -0.04 2.12 1.59 1dj2B1 VAL 388 HG13 -0.32 -0.00 -0.16 -0.04 0.97 0.45 1dj2B1 VAL 388 HG23 -0.04 0.00 -0.18 -0.04 0.95 0.69 1dj2B1 GLU 389 H -0.07 0.53 0.24 -0.55 8.60 8.75 1dj2B1 GLU 389 HA -0.01 0.15 0.87 -0.75 4.29 4.54 1dj2B1 GLU 389 HB2 -0.01 -0.09 0.14 -0.04 2.09 2.09 1dj2B1 GLU 389 HB3 0.01 0.06 0.02 -0.04 1.99 2.05 1dj2B1 GLU 389 HG2 0.09 0.04 -0.11 -0.04 2.34 2.32 1dj2B1 GLU 389 HG3 0.04 0.02 -0.23 -0.04 2.34 2.13 1dj2B1 TYR 390 H 0.06 0.18 0.10 -0.55 8.29 8.08 1dj2B1 TYR 390 HA 0.02 0.31 0.94 -0.75 4.56 5.07 1dj2B1 TYR 390 HB2 -0.07 0.00 0.01 -0.04 3.06 2.97 1dj2B1 TYR 390 HB3 -0.14 -0.05 0.04 -0.04 2.98 2.79 1dj2B1 TYR 390 HD2 -0.02 0.02 -0.24 -0.04 7.15 6.87 1dj2B1 TYR 390 HE2 0.16 -0.00 -0.10 -0.04 6.85 6.86 1dj2B1 GLU 391 H 0.13 0.23 0.40 -0.55 8.60 8.81 1dj2B1 GLU 391 HA 0.04 0.15 0.76 -0.75 4.29 4.48 1dj2B1 GLU 391 HB2 0.05 0.04 -0.04 -0.04 2.09 2.09 1dj2B1 GLU 391 HB3 0.06 -0.06 0.13 -0.04 1.99 2.07 1dj2B1 GLU 391 HG2 0.04 0.05 -0.10 -0.04 2.34 2.28 1dj2B1 GLU 391 HG3 0.03 0.03 0.05 -0.04 2.34 2.40 1dj2B1 VAL 392 H -0.00 0.19 0.12 -0.55 8.24 8.00 1dj2B1 VAL 392 HA -0.10 0.34 1.25 -0.75 4.13 4.87 1dj2B1 VAL 392 HB -0.10 0.03 -0.07 -0.04 2.12 1.95 1dj2B1 VAL 392 HG13 -0.14 -0.02 -0.17 -0.04 0.97 0.60 1dj2B1 VAL 392 HG23 -0.03 -0.01 0.05 -0.04 0.95 0.93 1dj2B1 LEU 393 H -0.01 0.80 0.32 -0.55 8.37 8.94 1dj2B1 LEU 393 HA 0.05 0.20 0.91 -0.75 4.35 4.76 1dj2B1 LEU 393 HB2 0.18 -0.06 -0.00 -0.04 1.64 1.72 1dj2B1 LEU 393 HB3 0.18 0.09 -0.01 -0.04 1.64 1.85 1dj2B1 LEU 393 HG 0.15 -0.04 -0.23 -0.04 1.64 1.48 1dj2B1 LEU 393 HD13 0.34 0.00 -0.08 -0.04 0.93 1.15 1dj2B1 LEU 393 HD23 0.08 0.03 -0.19 -0.04 0.89 0.77 1dj2B1 PRO 394 HA 0.00 0.06 0.59 -0.51 4.44 4.58 1dj2B1 PRO 394 HB2 0.05 0.06 0.02 -0.04 2.28 2.38 1dj2B1 PRO 394 HB3 0.03 0.01 0.12 -0.04 2.02 2.13 1dj2B1 PRO 394 HG2 0.09 -0.01 0.14 -0.04 2.03 2.21 1dj2B1 PRO 394 HG3 0.05 0.02 0.08 -0.04 2.03 2.15 1dj2B1 PRO 394 HD2 0.08 0.08 0.22 -0.04 3.68 4.02 1dj2B1 PRO 394 HD3 0.04 0.16 0.19 -0.04 3.65 4.00 1dj2B1 GLY 395 H -0.04 0.41 0.35 -0.55 8.43 8.60 1dj2B1 GLY 395 HA2 0.04 0.00 0.62 -0.51 4.01 4.16 1dj2B1 GLY 395 HA3 -0.22 0.18 0.15 -0.51 4.01 3.61 1dj2B1 TRP 396 H 0.20 0.09 0.12 -0.55 7.97 7.83 1dj2B1 TRP 396 HA -0.02 0.06 0.67 -0.75 4.62 4.58 1dj2B1 TRP 396 HB2 -0.02 -0.02 0.08 -0.04 3.23 3.23 1dj2B1 TRP 396 HB3 -0.02 -0.17 0.05 -0.04 3.23 3.05 1dj2B1 TRP 396 HD1 -0.02 0.01 -0.04 -0.04 7.22 7.13 1dj2B1 TRP 396 HE1 -0.01 -0.01 -0.01 -0.04 10.20 10.13 1dj2B1 TRP 396 HE3 -0.04 -0.00 -0.10 -0.04 7.59 7.40 1dj2B1 TRP 396 HZ2 -0.01 0.14 -0.12 -0.04 7.44 7.40 1dj2B1 TRP 396 HZ3 -0.23 0.04 -0.03 -0.04 7.13 6.87 1dj2B1 TRP 396 HH2 -0.13 0.01 0.01 -0.04 7.19 7.04 1dj2B1 LYS 397 H 0.06 0.08 0.00 -0.55 8.42 8.01 1dj2B1 LYS 397 HA -0.25 0.65 0.97 -0.75 4.32 4.93 1dj2B1 LYS 397 HB2 -0.04 -0.09 0.15 -0.04 1.87 1.85 1dj2B1 LYS 397 HB3 -0.08 -0.03 0.10 -0.04 1.79 1.74 1dj2B1 LYS 397 HG2 -0.20 0.22 -0.45 -0.04 1.46 0.99 1dj2B1 LYS 397 HG3 -0.11 0.01 -0.45 -0.04 1.46 0.88 1dj2B1 LYS 397 HD2 -0.08 -0.02 -0.10 -0.04 1.69 1.45 1dj2B1 LYS 397 HD3 -0.05 -0.07 -0.05 -0.04 1.68 1.46 1dj2B1 LYS 397 HE2 -0.11 0.04 -0.52 -0.04 2.99 2.36 1dj2B1 LYS 397 HE3 -0.07 -0.09 -0.10 -0.04 2.99 2.69 1dj2B1 SER 398 H 0.12 0.31 -0.10 -0.55 8.46 8.24 1dj2B1 SER 398 HA 0.06 0.11 0.68 -0.75 4.49 4.59 1dj2B1 SER 398 HB2 0.10 0.08 0.03 -0.04 3.95 4.13 1dj2B1 SER 398 HB3 0.09 0.06 -0.03 -0.04 3.93 4.02 1dj2B1 ASP 399 H 0.06 0.13 0.12 -0.55 8.40 8.17 1dj2B1 ASP 399 HA 0.09 0.05 0.54 -0.75 4.63 4.56 1dj2B1 ASP 399 HB2 0.04 0.05 0.12 -0.04 2.71 2.88 1dj2B1 ASP 399 HB3 0.04 0.02 0.13 -0.04 2.70 2.85 1dj2B1 ILE 400 H 0.13 0.10 0.27 -0.55 8.25 8.20 1dj2B1 ILE 400 HA 0.05 0.24 0.97 -0.75 4.18 4.68 1dj2B1 ILE 400 HB 0.01 0.00 0.16 -0.04 1.89 2.02 1dj2B1 ILE 400 HG12 0.31 0.05 0.10 -0.04 1.49 1.91 1dj2B1 ILE 400 HG13 0.14 0.01 -0.15 -0.04 1.21 1.17 1dj2B1 ILE 400 HG23 0.06 0.08 -0.16 -0.04 0.93 0.87 1dj2B1 ILE 400 HD13 0.15 -0.00 -0.14 -0.04 0.88 0.85 1dj2B1 SER 401 H 0.07 0.04 0.13 -0.55 8.46 8.15 1dj2B1 SER 401 HA 0.05 0.33 0.55 -0.75 4.49 4.66 1dj2B1 SER 401 HB2 0.04 0.03 0.30 -0.04 3.95 4.27 1dj2B1 SER 401 HB3 0.05 -0.04 0.21 -0.04 3.93 4.11 1dj2B1 SER 402 H 0.03 -0.06 -0.99 -0.55 8.46 6.90 1dj2B1 SER 402 HA 0.03 0.22 0.80 -0.75 4.49 4.79 1dj2B1 SER 402 HB2 0.02 -0.02 -0.13 -0.04 3.95 3.79 1dj2B1 SER 402 HB3 0.02 0.00 0.01 -0.04 3.93 3.93 1dj2B1 VAL 403 H 0.02 0.38 0.01 -0.55 8.24 8.11 1dj2B1 VAL 403 HA 0.01 -0.03 0.52 -0.75 4.13 3.88 1dj2B1 VAL 403 HB -0.01 0.07 0.12 -0.04 2.12 2.25 1dj2B1 VAL 403 HG13 -0.04 0.01 -0.23 -0.04 0.97 0.66 1dj2B1 VAL 403 HG23 -0.02 -0.04 0.06 -0.04 0.95 0.91 1dj2B1 ARG 404 H 0.02 0.01 0.21 -0.55 8.46 8.15 1dj2B1 ARG 404 HA 0.07 0.24 0.77 -0.75 4.34 4.66 1dj2B1 ARG 404 HB2 0.04 -0.09 0.13 -0.04 1.90 1.93 1dj2B1 ARG 404 HB3 0.06 0.01 0.01 -0.04 1.80 1.85 1dj2B1 ARG 404 HG2 0.04 0.13 -0.10 -0.04 1.67 1.70 1dj2B1 ARG 404 HG3 0.04 -0.04 -0.00 -0.04 1.67 1.63 1dj2B1 ARG 404 HD2 0.06 -0.04 -0.06 -0.04 3.22 3.13 1dj2B1 ARG 404 HD3 0.08 0.03 0.03 -0.04 3.22 3.32 1dj2B1 ASN 405 H 0.03 -0.04 0.12 -0.55 8.53 8.09 1dj2B1 ASN 405 HA 0.08 0.25 0.77 -0.75 4.76 5.11 1dj2B1 ASN 405 HB2 0.02 -0.02 0.09 -0.04 2.88 2.93 1dj2B1 ASN 405 HB3 0.05 -0.11 0.10 -0.04 2.79 2.79 1dj2B1 ASN 405 HD21 0.03 0.05 0.03 -0.04 7.03 7.10 1dj2B1 ASN 405 HD22 0.04 -0.06 0.07 -0.04 7.74 7.76 1dj2B1 TYR 406 H 0.16 0.17 0.17 -0.55 8.29 8.24 1dj2B1 TYR 406 HA -0.02 0.19 0.57 -0.75 4.56 4.54 1dj2B1 TYR 406 HB2 -0.00 0.22 0.08 -0.04 3.06 3.32 1dj2B1 TYR 406 HB3 -0.01 -0.08 0.16 -0.04 2.98 3.01 1dj2B1 TYR 406 HD2 -0.03 0.00 -0.12 -0.04 7.15 6.96 1dj2B1 TYR 406 HE2 -0.05 -0.01 -0.07 -0.04 6.85 6.69 1dj2B1 SER 407 H 0.10 0.11 0.07 -0.55 8.46 8.19 1dj2B1 SER 407 HA -0.17 0.14 0.44 -0.75 4.49 4.15 1dj2B1 SER 407 HB2 -0.01 0.05 0.07 -0.04 3.95 4.01 1dj2B1 SER 407 HB3 0.05 0.03 0.10 -0.04 3.93 4.07 1dj2B1 ASP 408 H -0.06 -0.00 -0.87 -0.55 8.40 6.92 1dj2B1 ASP 408 HA -0.05 0.11 0.50 -0.75 4.63 4.43 1dj2B1 ASP 408 HB2 -0.03 0.07 -0.09 -0.04 2.71 2.61 1dj2B1 ASP 408 HB3 -0.03 0.01 0.02 -0.04 2.70 2.65 1dj2B1 LEU 409 H -0.23 0.45 -0.32 -0.55 8.37 7.72 1dj2B1 LEU 409 HA -0.19 0.05 0.49 -0.75 4.35 3.94 1dj2B1 LEU 409 HB2 -0.48 0.18 0.10 -0.04 1.64 1.40 1dj2B1 LEU 409 HB3 -0.40 -0.06 -0.04 -0.04 1.64 1.09 1dj2B1 LEU 409 HG -0.19 0.09 0.03 -0.04 1.64 1.53 1dj2B1 LEU 409 HD13 -0.31 -0.02 -0.07 -0.04 0.93 0.49 1dj2B1 LEU 409 HD23 -0.21 -0.02 -0.01 -0.04 0.89 0.60 1dj2B1 PRO 410 HA -0.08 0.10 0.42 -0.51 4.44 4.37 1dj2B1 PRO 410 HB2 -0.28 -0.18 0.07 -0.04 2.28 1.85 1dj2B1 PRO 410 HB3 0.04 0.04 0.11 -0.04 2.02 2.16 1dj2B1 PRO 410 HG2 -0.08 0.07 0.04 -0.04 2.03 2.01 1dj2B1 PRO 410 HG3 -0.02 0.12 0.07 -0.04 2.03 2.15 1dj2B1 PRO 410 HD2 -0.52 0.04 0.17 -0.04 3.68 3.34 1dj2B1 PRO 410 HD3 -0.18 0.21 0.23 -0.04 3.65 3.86 1dj2B1 LYS 411 H -0.05 0.18 0.18 -0.55 8.42 8.18 1dj2B1 LYS 411 HA -0.09 0.13 0.36 -0.75 4.32 3.97 1dj2B1 LYS 411 HB2 -0.03 0.06 0.16 -0.04 1.87 2.02 1dj2B1 LYS 411 HB3 0.00 -0.01 0.08 -0.04 1.79 1.82 1dj2B1 LYS 411 HG2 -0.00 0.03 0.01 -0.04 1.46 1.45 1dj2B1 LYS 411 HG3 -0.00 -0.02 -0.06 -0.04 1.46 1.34 1dj2B1 LYS 411 HD2 -0.05 -0.01 0.08 -0.04 1.69 1.67 1dj2B1 LYS 411 HD3 -0.02 0.04 0.03 -0.04 1.68 1.69 1dj2B1 LYS 411 HE2 0.00 -0.04 0.00 -0.04 2.99 2.91 1dj2B1 LYS 411 HE3 -0.00 0.02 -0.00 -0.04 2.99 2.96 1dj2B1 ALA 412 H 0.03 0.07 -0.21 -0.55 8.40 7.75 1dj2B1 ALA 412 HA 0.09 0.09 0.36 -0.75 4.34 4.12 1dj2B1 ALA 412 HB3 0.25 0.10 -0.08 -0.04 1.41 1.64 1dj2B1 ALA 413 H -0.30 0.14 -0.38 -0.55 8.40 7.31 1dj2B1 ALA 413 HA -0.72 0.07 0.47 -0.75 4.34 3.41 1dj2B1 ALA 413 HB3 -1.35 0.04 0.02 -0.04 1.41 0.09 1dj2B1 GLN 414 H -0.26 0.51 -0.14 -0.55 8.47 8.04 1dj2B1 GLN 414 HA -0.13 0.02 0.36 -0.75 4.36 3.85 1dj2B1 GLN 414 HB2 -0.10 0.09 0.13 -0.04 2.15 2.23 1dj2B1 GLN 414 HB3 -0.06 -0.04 -0.00 -0.04 2.02 1.88 1dj2B1 GLN 414 HG2 -0.73 -0.02 -0.05 -0.04 2.40 1.56 1dj2B1 GLN 414 HG3 -0.32 0.19 -0.22 -0.04 2.39 2.00 1dj2B1 GLN 414 HE21 -0.14 -0.06 -0.01 -0.04 6.97 6.72 1dj2B1 GLN 414 HE22 -0.77 -0.01 -0.20 -0.04 7.69 6.67 1dj2B1 GLN 415 H -0.01 0.58 -0.22 -0.55 8.47 8.27 1dj2B1 GLN 415 HA 0.05 -0.01 0.26 -0.75 4.36 3.90 1dj2B1 GLN 415 HB2 0.08 0.16 0.07 -0.04 2.15 2.42 1dj2B1 GLN 415 HB3 0.07 -0.04 -0.02 -0.04 2.02 1.99 1dj2B1 GLN 415 HG2 0.03 -0.06 0.00 -0.04 2.40 2.34 1dj2B1 GLN 415 HG3 0.02 0.26 0.08 -0.04 2.39 2.70 1dj2B1 GLN 415 HE21 0.03 -0.02 -0.02 -0.04 6.97 6.93 1dj2B1 GLN 415 HE22 0.03 -0.01 -0.02 -0.04 7.69 7.66 1dj2B1 TYR 416 H 0.18 0.39 -0.36 -0.55 8.29 7.95 1dj2B1 TYR 416 HA 0.09 0.02 0.49 -0.75 4.56 4.40 1dj2B1 TYR 416 HB2 0.20 0.11 0.13 -0.04 3.06 3.46 1dj2B1 TYR 416 HB3 0.07 0.11 0.16 -0.04 2.98 3.27 1dj2B1 TYR 416 HD2 0.16 -0.00 -0.05 -0.04 7.15 7.22 1dj2B1 TYR 416 HE2 0.20 -0.01 -0.03 -0.04 6.85 6.97 1dj2B1 VAL 417 H 0.13 0.53 -0.03 -0.55 8.24 8.32 1dj2B1 VAL 417 HA -0.02 0.00 0.46 -0.75 4.13 3.82 1dj2B1 VAL 417 HB 0.13 0.19 0.23 -0.04 2.12 2.63 1dj2B1 VAL 417 HG13 0.04 -0.02 -0.12 -0.04 0.97 0.82 1dj2B1 VAL 417 HG23 0.10 0.02 0.03 -0.04 0.95 1.06 1dj2B1 GLU 418 H 0.06 0.74 -0.01 -0.55 8.60 8.84 1dj2B1 GLU 418 HA -0.02 -0.01 0.31 -0.75 4.29 3.83 1dj2B1 GLU 418 HB2 0.04 0.07 0.02 -0.04 2.09 2.17 1dj2B1 GLU 418 HB3 0.01 -0.03 0.00 -0.04 1.99 1.93 1dj2B1 GLU 418 HG2 0.04 -0.03 -0.00 -0.04 2.34 2.30 1dj2B1 GLU 418 HG3 0.12 0.17 0.03 -0.04 2.34 2.63 1dj2B1 ARG 419 H -0.01 0.36 -0.63 -0.55 8.46 7.63 1dj2B1 ARG 419 HA -0.01 0.03 0.55 -0.75 4.34 4.16 1dj2B1 ARG 419 HB2 0.03 0.15 0.14 -0.04 1.90 2.18 1dj2B1 ARG 419 HB3 -0.06 0.13 0.14 -0.04 1.80 1.97 1dj2B1 ARG 419 HG2 0.03 -0.03 -0.05 -0.04 1.67 1.58 1dj2B1 ARG 419 HG3 -0.02 -0.05 -0.18 -0.04 1.67 1.38 1dj2B1 ARG 419 HD2 0.00 -0.03 0.12 -0.04 3.22 3.27 1dj2B1 ARG 419 HD3 0.02 0.01 0.00 -0.04 3.22 3.22 1dj2B1 ILE 420 H -0.14 0.55 -0.03 -0.55 8.25 8.09 1dj2B1 ILE 420 HA -0.08 -0.01 0.48 -0.75 4.18 3.82 1dj2B1 ILE 420 HB -0.11 0.14 0.15 -0.04 1.89 2.03 1dj2B1 ILE 420 HG12 -0.29 -0.09 0.02 -0.04 1.49 1.08 1dj2B1 ILE 420 HG13 -0.43 0.32 0.17 -0.04 1.21 1.23 1dj2B1 ILE 420 HG23 -0.06 -0.03 -0.09 -0.04 0.93 0.72 1dj2B1 ILE 420 HD13 -0.36 -0.03 -0.03 -0.04 0.88 0.42 1dj2B1 GLU 421 H -0.06 0.40 -0.25 -0.55 8.60 8.14 1dj2B1 GLU 421 HA -0.05 0.17 0.32 -0.75 4.29 3.97 1dj2B1 GLU 421 HB2 -0.05 0.14 -0.01 -0.04 2.09 2.13 1dj2B1 GLU 421 HB3 -0.07 -0.01 -0.17 -0.04 1.99 1.71 1dj2B1 GLU 421 HG2 -0.09 0.00 0.01 -0.04 2.34 2.22 1dj2B1 GLU 421 HG3 -0.07 0.27 -0.01 -0.04 2.34 2.49 1dj2B1 GLU 422 H -0.03 0.34 -0.26 -0.55 8.60 8.10 1dj2B1 GLU 422 HA -0.02 0.05 0.47 -0.75 4.29 4.04 1dj2B1 GLU 422 HB2 -0.01 0.10 0.15 -0.04 2.09 2.29 1dj2B1 GLU 422 HB3 -0.01 0.07 0.13 -0.04 1.99 2.14 1dj2B1 GLU 422 HG2 -0.00 -0.05 -0.00 -0.04 2.34 2.24 1dj2B1 GLU 422 HG3 -0.01 0.01 -0.10 -0.04 2.34 2.20 1dj2B1 LEU 423 H -0.02 0.39 -0.25 -0.55 8.37 7.94 1dj2B1 LEU 423 HA -0.01 0.07 0.49 -0.75 4.35 4.15 1dj2B1 LEU 423 HB2 -0.02 0.04 0.14 -0.04 1.64 1.76 1dj2B1 LEU 423 HB3 -0.01 -0.06 0.00 -0.04 1.64 1.54 1dj2B1 LEU 423 HG -0.01 0.13 0.05 -0.04 1.64 1.77 1dj2B1 LEU 423 HD13 0.00 -0.04 -0.06 -0.04 0.93 0.79 1dj2B1 LEU 423 HD23 0.00 -0.01 -0.02 -0.04 0.89 0.82 1dj2B1 VAL 424 H -0.02 0.52 -0.07 -0.55 8.24 8.12 1dj2B1 VAL 424 HA -0.01 0.08 0.65 -0.75 4.13 4.11 1dj2B1 VAL 424 HB -0.02 0.19 0.12 -0.04 2.12 2.37 1dj2B1 VAL 424 HG13 0.01 -0.11 -0.11 -0.04 0.97 0.72 1dj2B1 VAL 424 HG23 -0.00 -0.04 -0.06 -0.04 0.95 0.80 1dj2B1 GLY 425 H -0.02 0.52 -0.19 -0.55 8.43 8.20 1dj2B1 GLY 425 HA2 -0.02 0.03 0.29 -0.51 4.01 3.81 1dj2B1 GLY 425 HA3 -0.01 0.10 0.61 -0.51 4.01 4.20 1dj2B1 VAL 426 H -0.01 0.01 -0.51 -0.55 8.24 7.18 1dj2B1 VAL 426 HA -0.01 0.25 0.76 -0.75 4.13 4.38 1dj2B1 VAL 426 HB 0.01 -0.14 -0.08 -0.04 2.12 1.86 1dj2B1 VAL 426 HG13 0.05 0.04 -0.34 -0.04 0.97 0.68 1dj2B1 VAL 426 HG23 0.04 0.02 -0.12 -0.04 0.95 0.85 1dj2B1 PRO 427 HA -0.14 0.02 0.44 -0.51 4.44 4.24 1dj2B1 PRO 427 HB2 -0.45 -0.01 -0.05 -0.04 2.28 1.73 1dj2B1 PRO 427 HB3 -0.15 0.04 0.07 -0.04 2.02 1.94 1dj2B1 PRO 427 HG2 -0.08 0.01 0.14 -0.04 2.03 2.06 1dj2B1 PRO 427 HG3 -0.02 0.03 0.09 -0.04 2.03 2.10 1dj2B1 PRO 427 HD2 -0.00 0.20 0.26 -0.04 3.68 4.10 1dj2B1 PRO 427 HD3 -0.04 0.21 0.21 -0.04 3.65 4.00 1dj2B1 ILE 428 H -0.24 0.20 0.13 -0.55 8.25 7.79 1dj2B1 ILE 428 HA -0.13 0.04 1.02 -0.75 4.18 4.35 1dj2B1 ILE 428 HB -0.13 -0.01 0.12 -0.04 1.89 1.84 1dj2B1 ILE 428 HG12 -0.07 -0.03 -0.13 -0.04 1.49 1.22 1dj2B1 ILE 428 HG13 -0.09 0.05 -0.16 -0.04 1.21 0.97 1dj2B1 ILE 428 HG23 -0.05 -0.00 -0.10 -0.04 0.93 0.73 1dj2B1 ILE 428 HD13 -0.04 -0.00 -0.03 -0.04 0.88 0.77 1dj2B1 HIS 429 H -0.10 0.24 0.27 -0.55 8.41 8.28 1dj2B1 HIS 429 HA -0.30 0.09 0.99 -0.75 4.63 4.65 1dj2B1 HIS 429 HB2 -0.54 0.02 0.03 -0.04 3.26 2.73 1dj2B1 HIS 429 HB3 -0.70 -0.01 0.11 -0.04 3.20 2.57 1dj2B1 HIS 429 HD2 -0.16 -0.03 0.01 -0.04 6.97 6.75 1dj2B1 HIS 429 HE1 -0.03 0.12 -0.06 -0.04 7.75 7.73 1dj2B1 TYR 430 H -0.05 0.32 0.20 -0.55 8.29 8.21 1dj2B1 TYR 430 HA -0.17 0.29 0.90 -0.75 4.56 4.82 1dj2B1 TYR 430 HB2 -0.08 -0.13 0.08 -0.04 3.06 2.89 1dj2B1 TYR 430 HB3 -0.16 0.04 -0.08 -0.04 2.98 2.73 1dj2B1 TYR 430 HD2 -0.22 0.02 -0.17 -0.04 7.15 6.74 1dj2B1 TYR 430 HE2 0.13 0.02 -0.11 -0.04 6.85 6.85 1dj2B1 ILE 431 H -0.04 0.57 0.11 -0.55 8.25 8.34 1dj2B1 ILE 431 HA 0.04 0.27 1.00 -0.75 4.18 4.74 1dj2B1 ILE 431 HB 0.05 -0.01 0.13 -0.04 1.89 2.01 1dj2B1 ILE 431 HG12 0.04 -0.00 -0.16 -0.04 1.49 1.33 1dj2B1 ILE 431 HG13 -0.01 -0.08 -0.57 -0.04 1.21 0.52 1dj2B1 ILE 431 HG23 0.06 -0.00 -0.11 -0.04 0.93 0.83 1dj2B1 ILE 431 HD13 0.18 0.00 -0.16 -0.04 0.88 0.86 1dj2B1 GLY 432 H 0.04 0.50 0.14 -0.55 8.43 8.57 1dj2B1 GLY 432 HA2 0.03 0.30 0.86 -0.51 4.01 4.69 1dj2B1 GLY 432 HA3 0.04 -0.05 0.42 -0.51 4.01 3.90 1dj2B1 ILE 433 H 0.05 0.56 0.12 -0.55 8.25 8.43 1dj2B1 ILE 433 HA 0.09 -0.16 0.81 -0.75 4.18 4.17 1dj2B1 ILE 433 HB 0.07 -0.05 0.09 -0.04 1.89 1.95 1dj2B1 ILE 433 HG12 0.03 0.11 -0.10 -0.04 1.49 1.49 1dj2B1 ILE 433 HG13 0.04 0.01 -0.16 -0.04 1.21 1.06 1dj2B1 ILE 433 HG23 0.05 -0.02 -0.23 -0.04 0.93 0.70 1dj2B1 ILE 433 HD13 0.05 0.01 -0.21 -0.04 0.88 0.68 1dj2B1 GLY 434 H 0.06 0.19 0.06 -0.55 8.43 8.19 1dj2B1 GLY 434 HA2 0.05 0.06 0.36 -0.51 4.01 3.97 1dj2B1 GLY 434 HA3 0.04 0.15 0.63 -0.51 4.01 4.32 1dj2B1 PRO 435 HA 0.11 0.08 0.52 -0.51 4.44 4.64 1dj2B1 PRO 435 HB2 0.05 0.03 -0.01 -0.04 2.28 2.32 1dj2B1 PRO 435 HB3 0.10 0.04 0.09 -0.04 2.02 2.21 1dj2B1 PRO 435 HG2 -0.13 0.03 -0.00 -0.04 2.03 1.88 1dj2B1 PRO 435 HG3 -0.06 0.08 0.04 -0.04 2.03 2.06 1dj2B1 PRO 435 HD2 0.00 0.11 0.25 -0.04 3.68 4.00 1dj2B1 PRO 435 HD3 0.03 0.14 0.15 -0.04 3.65 3.94 1dj2B1 GLY 436 H 0.01 -0.00 -0.36 -0.55 8.43 7.52 1dj2B1 GLY 436 HA2 0.01 0.09 0.41 -0.51 4.01 4.01 1dj2B1 GLY 436 HA3 0.01 -0.01 0.25 -0.51 4.01 3.75 1dj2B1 ARG 437 H 0.10 0.21 0.15 -0.55 8.46 8.37 1dj2B1 ARG 437 HA 0.10 0.10 0.41 -0.75 4.34 4.19 1dj2B1 ARG 437 HB2 0.13 0.39 0.19 -0.04 1.90 2.56 1dj2B1 ARG 437 HB3 0.09 -0.06 0.02 -0.04 1.80 1.82 1dj2B1 ARG 437 HG2 0.09 -0.01 -0.15 -0.04 1.67 1.57 1dj2B1 ARG 437 HG3 0.09 -0.01 -0.01 -0.04 1.67 1.69 1dj2B1 ARG 437 HD2 0.10 0.08 -0.02 -0.04 3.22 3.33 1dj2B1 ARG 437 HD3 0.08 -0.06 -0.20 -0.04 3.22 3.00 1dj2B1 ASP 438 H 0.07 -0.00 -0.19 -0.55 8.40 7.73 1dj2B1 ASP 438 HA 0.10 0.20 0.57 -0.75 4.63 4.75 1dj2B1 ASP 438 HB2 0.06 -0.01 0.02 -0.04 2.71 2.75 1dj2B1 ASP 438 HB3 0.06 -0.01 -0.04 -0.04 2.70 2.67 1dj2B1 ALA 439 H 0.06 0.06 -0.59 -0.55 8.40 7.38 1dj2B1 ALA 439 HA 0.06 0.16 0.37 -0.75 4.34 4.17 1dj2B1 ALA 439 HB3 0.04 0.03 -0.06 -0.04 1.41 1.38 1dj2B1 LEU 440 H 0.08 0.59 0.09 -0.55 8.37 8.59 1dj2B1 LEU 440 HA 0.01 0.10 0.81 -0.75 4.35 4.51 1dj2B1 LEU 440 HB2 0.01 0.05 -0.42 -0.04 1.64 1.24 1dj2B1 LEU 440 HB3 0.01 0.03 -0.08 -0.04 1.64 1.56 1dj2B1 LEU 440 HG -0.26 -0.01 -0.34 -0.04 1.64 0.99 1dj2B1 LEU 440 HD13 -0.02 -0.01 -0.30 -0.04 0.93 0.56 1dj2B1 LEU 440 HD23 -0.18 -0.00 -0.16 -0.04 0.89 0.51 1dj2B1 ILE 441 H 0.00 0.83 0.28 -0.55 8.25 8.81 1dj2B1 ILE 441 HA 0.13 0.26 0.86 -0.75 4.18 4.67 1dj2B1 ILE 441 HB 0.06 -0.09 0.08 -0.04 1.89 1.90 1dj2B1 ILE 441 HG12 0.07 0.14 -0.28 -0.04 1.49 1.38 1dj2B1 ILE 441 HG13 0.05 -0.08 -0.15 -0.04 1.21 0.99 1dj2B1 ILE 441 HG23 0.16 -0.00 -0.38 -0.04 0.93 0.67 1dj2B1 ILE 441 HD13 0.01 0.00 -0.18 -0.04 0.88 0.67 1dj2B1 TYR 442 H 0.35 0.22 0.21 -0.55 8.29 8.53 1dj2B1 TYR 442 HA -0.06 0.24 0.76 -0.75 4.56 4.75 1dj2B1 TYR 442 HB2 0.01 -0.03 0.15 -0.04 3.06 3.14 1dj2B1 TYR 442 HB3 -0.05 -0.00 0.08 -0.04 2.98 2.96 1dj2B1 TYR 442 HD2 0.05 0.04 0.08 -0.04 7.15 7.27 1dj2B1 TYR 442 HE2 0.18 0.04 -0.02 -0.04 6.85 7.01 1dj2B1 LYS 443 H -0.12 0.51 0.16 -0.55 8.42 8.42 1dj2B1 LYS 443 HA -0.12 0.11 0.56 -0.75 4.32 4.11 1dj2B1 LYS 443 HB2 -0.30 -0.01 -0.27 -0.04 1.87 1.25 1dj2B1 LYS 443 HB3 -0.25 0.13 -0.01 -0.04 1.79 1.61 1dj2B1 LYS 443 HG2 -0.33 -0.00 0.08 -0.04 1.46 1.16 1dj2B1 LYS 443 HG3 -0.72 -0.07 0.03 -0.04 1.46 0.66 1dj2B1 LYS 443 HD2 -0.88 -0.07 -0.04 -0.04 1.69 0.66 1dj2B1 LYS 443 HD3 -0.35 0.23 0.06 -0.04 1.68 1.58 1dj2B1 LYS 443 HE2 -0.29 0.01 0.03 -0.04 2.99 2.70 1dj2B1 LYS 443 HE3 -0.46 -0.04 -0.00 -0.04 2.99 2.45