============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 31 rings ring int. center anis. iso. PHE 31 1.000 8.748 43.688 32.928 -99.200 -91.000 TYR 39 0.840 12.791 60.347 44.886 -99.200 -91.000 HIS 66 0.900 32.715 49.872 45.475 -99.200 -91.000 PHE 76 1.000 13.534 49.791 56.518 -99.200 -91.000 PHE 112 1.000 17.821 50.947 41.669 -99.200 -91.000 HIS 117 0.900 -2.146 47.760 52.022 -99.200 -91.000 TRP 129 1.040 -3.523 57.829 50.070 -99.200 -91.000 TRP6 129 1.020 -5.354 59.250 49.585 -99.200 -91.000 PHE 177 1.000 -0.111 37.122 47.538 -99.200 -91.000 PHE 183 1.000 16.035 34.869 57.490 -99.200 -91.000 TYR 187 0.840 11.271 42.429 68.223 -99.200 -91.000 HIS 204 0.900 9.880 40.245 63.277 -99.200 -91.000 HIS 216 0.900 24.674 33.444 55.293 -99.200 -91.000 PHE 217 1.000 26.948 39.261 50.417 -99.200 -91.000 PHE 237 1.000 12.745 20.169 56.364 -99.200 -91.000 PHE 243 1.000 -1.521 27.978 62.066 -99.200 -91.000 PHE 256 1.000 2.798 21.667 53.445 -99.200 -91.000 TYR 281 0.840 -7.588 37.409 61.779 -99.200 -91.000 TYR 284 0.840 -0.620 40.456 63.356 -99.200 -91.000 TYR 290 0.840 -3.102 50.118 72.790 -99.200 -91.000 HIS 296 0.900 0.998 56.044 61.352 -99.200 -91.000 HIS 303 0.900 -3.483 67.398 58.667 -99.200 -91.000 PHE 307 1.000 -3.377 57.943 58.410 -99.200 -91.000 TYR 326 0.840 -0.150 47.062 74.094 -99.200 -91.000 HIS 376 0.900 -6.674 39.340 50.317 -99.200 -91.000 PHE 380 1.000 -4.489 35.306 50.018 -99.200 -91.000 PHE 387 1.000 4.880 30.449 61.887 -99.200 -91.000 PHE 399 1.000 5.094 24.777 48.111 -99.200 -91.000 TYR 414 0.840 13.304 35.255 69.737 -99.200 -91.000 TRP 426 1.040 19.030 19.410 52.166 -99.200 -91.000 TRP6 426 1.020 16.865 18.463 52.048 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2dc0A1 MET 1 HA 0.01 -0.10 0.18 -0.75 4.52 3.85 2dc0A1 MET 1 HB2 0.00 -0.14 0.02 -0.04 2.15 2.00 2dc0A1 MET 1 HB3 0.01 0.02 0.02 -0.04 2.03 2.04 2dc0A1 MET 1 HG2 0.01 0.06 -0.05 -0.04 2.63 2.61 2dc0A1 MET 1 HG3 0.01 0.02 -0.42 -0.04 2.56 2.14 2dc0A1 MET 1 HE3 0.00 0.01 -0.03 -0.04 2.10 2.05 2dc0A1 ASP 2 H 0.01 -0.04 0.11 -0.55 8.40 7.93 2dc0A1 ASP 2 HA 0.03 0.45 1.01 -0.75 4.63 5.36 2dc0A1 ASP 2 HB2 0.03 -0.16 0.21 -0.04 2.71 2.74 2dc0A1 ASP 2 HB3 0.02 0.19 -0.02 -0.04 2.70 2.85 2dc0A1 LEU 3 H 0.05 0.17 0.18 -0.55 8.37 8.23 2dc0A1 LEU 3 HA 0.06 0.16 0.36 -0.75 4.35 4.18 2dc0A1 LEU 3 HB2 0.12 -0.14 0.16 -0.04 1.64 1.74 2dc0A1 LEU 3 HB3 0.19 0.09 -0.07 -0.04 1.64 1.80 2dc0A1 LEU 3 HG 0.10 0.12 -0.02 -0.04 1.64 1.79 2dc0A1 LEU 3 HD13 0.17 -0.01 -0.05 -0.04 0.93 1.00 2dc0A1 LEU 3 HD23 0.11 0.02 -0.09 -0.04 0.89 0.89 2dc0A1 LEU 4 H -0.03 0.05 -0.09 -0.55 8.37 7.75 2dc0A1 LEU 4 HA -0.19 0.18 0.43 -0.75 4.35 4.01 2dc0A1 LEU 4 HB2 -0.09 -0.05 -0.00 -0.04 1.64 1.46 2dc0A1 LEU 4 HB3 -0.16 0.08 -0.01 -0.04 1.64 1.51 2dc0A1 LEU 4 HG -0.19 -0.11 -0.05 -0.04 1.64 1.25 2dc0A1 LEU 4 HD13 -0.13 0.02 -0.11 -0.04 0.93 0.68 2dc0A1 LEU 4 HD23 -1.00 0.04 -0.05 -0.04 0.89 -0.17 2dc0A1 GLU 5 H -0.02 0.06 -0.31 -0.55 8.60 7.78 2dc0A1 GLU 5 HA -0.03 0.12 0.48 -0.75 4.29 4.10 2dc0A1 GLU 5 HB2 -0.01 -0.05 0.08 -0.04 2.09 2.07 2dc0A1 GLU 5 HB3 -0.00 0.06 0.09 -0.04 1.99 2.09 2dc0A1 GLU 5 HG2 -0.01 -0.01 -0.06 -0.04 2.34 2.22 2dc0A1 GLU 5 HG3 -0.01 0.01 0.03 -0.04 2.34 2.32 2dc0A1 ALA 6 H 0.00 0.55 -0.10 -0.55 8.40 8.31 2dc0A1 ALA 6 HA 0.00 0.03 0.38 -0.75 4.34 4.00 2dc0A1 ALA 6 HB3 0.02 0.05 0.02 -0.04 1.41 1.45 2dc0A1 LYS 7 H -0.01 0.44 -0.27 -0.55 8.42 8.03 2dc0A1 LYS 7 HA 0.03 0.08 0.37 -0.75 4.32 4.04 2dc0A1 LYS 7 HB2 0.00 0.09 0.09 -0.04 1.87 2.02 2dc0A1 LYS 7 HB3 -0.07 0.05 0.10 -0.04 1.79 1.83 2dc0A1 LYS 7 HG2 -0.02 -0.05 -0.08 -0.04 1.46 1.27 2dc0A1 LYS 7 HG3 0.05 0.05 0.05 -0.04 1.46 1.56 2dc0A1 LYS 7 HD2 0.10 0.08 0.03 -0.04 1.69 1.86 2dc0A1 LYS 7 HD3 -0.22 -0.11 -0.01 -0.04 1.68 1.30 2dc0A1 LYS 7 HE2 0.12 0.09 0.09 -0.04 2.99 3.25 2dc0A1 LYS 7 HE3 0.22 -0.07 0.07 -0.04 2.99 3.16 2dc0A1 ARG 8 H -0.03 0.28 -0.50 -0.55 8.46 7.66 2dc0A1 ARG 8 HA -0.02 0.05 0.48 -0.75 4.34 4.09 2dc0A1 ARG 8 HB2 -0.04 0.09 0.16 -0.04 1.90 2.06 2dc0A1 ARG 8 HB3 -0.02 0.14 0.13 -0.04 1.80 2.01 2dc0A1 ARG 8 HG2 -0.02 -0.03 -0.07 -0.04 1.67 1.52 2dc0A1 ARG 8 HG3 -0.02 -0.02 0.04 -0.04 1.67 1.63 2dc0A1 ARG 8 HD2 -0.03 -0.02 -0.00 -0.04 3.22 3.13 2dc0A1 ARG 8 HD3 -0.02 0.00 -0.03 -0.04 3.22 3.14 2dc0A1 LEU 9 H -0.01 0.45 -0.13 -0.55 8.37 8.14 2dc0A1 LEU 9 HA -0.00 0.03 0.41 -0.75 4.35 4.04 2dc0A1 LEU 9 HB2 0.00 0.14 0.07 -0.04 1.64 1.81 2dc0A1 LEU 9 HB3 0.00 -0.07 -0.12 -0.04 1.64 1.41 2dc0A1 LEU 9 HG -0.00 0.22 0.02 -0.04 1.64 1.84 2dc0A1 LEU 9 HD13 0.00 -0.01 -0.08 -0.04 0.93 0.80 2dc0A1 LEU 9 HD23 -0.00 -0.01 -0.04 -0.04 0.89 0.79 2dc0A1 LEU 10 H 0.01 0.47 -0.32 -0.55 8.37 7.98 2dc0A1 LEU 10 HA 0.01 0.10 0.42 -0.75 4.35 4.13 2dc0A1 LEU 10 HB2 0.02 0.13 0.10 -0.04 1.64 1.85 2dc0A1 LEU 10 HB3 0.02 -0.00 -0.05 -0.04 1.64 1.57 2dc0A1 LEU 10 HG 0.03 0.09 -0.11 -0.04 1.64 1.60 2dc0A1 LEU 10 HD13 0.07 0.01 -0.16 -0.04 0.93 0.81 2dc0A1 LEU 10 HD23 0.03 0.00 -0.30 -0.04 0.89 0.58 2dc0A1 GLU 11 H -0.00 0.38 -0.20 -0.55 8.60 8.23 2dc0A1 GLU 11 HA -0.01 0.07 0.45 -0.75 4.29 4.04 2dc0A1 GLU 11 HB2 -0.01 0.05 0.12 -0.04 2.09 2.20 2dc0A1 GLU 11 HB3 -0.01 -0.06 0.07 -0.04 1.99 1.95 2dc0A1 GLU 11 HG2 -0.01 -0.05 0.04 -0.04 2.34 2.28 2dc0A1 GLU 11 HG3 -0.00 0.47 0.21 -0.04 2.34 2.98 2dc0A1 THR 12 H -0.01 0.35 -0.32 -0.55 8.28 7.75 2dc0A1 THR 12 HA -0.01 0.12 0.66 -0.75 4.39 4.40 2dc0A1 THR 12 HB -0.01 -0.06 0.14 -0.04 4.32 4.36 2dc0A1 THR 12 HG23 -0.01 0.01 0.01 -0.04 1.22 1.19 2dc0A1 GLY 13 H -0.00 0.31 -0.61 -0.55 8.43 7.58 2dc0A1 GLY 13 HA2 -0.00 0.10 0.35 -0.51 4.01 3.95 2dc0A1 GLY 13 HA3 -0.00 0.01 0.39 -0.51 4.01 3.89 2dc0A1 ARG 14 H -0.00 0.61 -0.03 -0.55 8.46 8.49 2dc0A1 ARG 14 HA -0.00 0.13 0.71 -0.75 4.34 4.43 2dc0A1 ARG 14 HB2 -0.00 -0.04 0.06 -0.04 1.90 1.87 2dc0A1 ARG 14 HB3 -0.00 -0.06 0.11 -0.04 1.80 1.81 2dc0A1 ARG 14 HG2 -0.00 0.00 -0.04 -0.04 1.67 1.58 2dc0A1 ARG 14 HG3 -0.00 0.09 -0.17 -0.04 1.67 1.54 2dc0A1 ARG 14 HD2 -0.00 -0.03 -0.02 -0.04 3.22 3.13 2dc0A1 ARG 14 HD3 -0.00 -0.04 -0.00 -0.04 3.22 3.13 2dc0A1 THR 15 H 0.00 0.34 -0.12 -0.55 8.28 7.95 2dc0A1 THR 15 HA 0.00 0.09 0.44 -0.75 4.39 4.16 2dc0A1 THR 15 HB 0.00 0.09 -0.30 -0.04 4.32 4.07 2dc0A1 THR 15 HG23 0.01 -0.02 -0.40 -0.04 1.22 0.77 2dc0A1 THR 16 H 0.00 0.12 0.17 -0.55 8.28 8.02 2dc0A1 THR 16 HA 0.02 0.36 0.86 -0.75 4.39 4.87 2dc0A1 THR 16 HB 0.02 0.04 0.17 -0.04 4.32 4.51 2dc0A1 THR 16 HG23 0.01 0.05 -0.19 -0.04 1.22 1.04 2dc0A1 PRO 17 HA 0.01 0.27 0.52 -0.51 4.44 4.74 2dc0A1 PRO 17 HB2 0.02 0.06 0.11 -0.04 2.28 2.43 2dc0A1 PRO 17 HB3 0.01 0.07 0.18 -0.04 2.02 2.24 2dc0A1 PRO 17 HG2 0.13 0.11 -0.22 -0.04 2.03 2.01 2dc0A1 PRO 17 HG3 0.11 0.15 0.05 -0.04 2.03 2.30 2dc0A1 PRO 17 HD2 0.05 0.03 0.25 -0.04 3.68 3.97 2dc0A1 PRO 17 HD3 0.05 0.24 0.23 -0.04 3.65 4.14 2dc0A1 LEU 18 H 0.01 0.15 -0.15 -0.55 8.37 7.84 2dc0A1 LEU 18 HA -0.02 0.07 0.40 -0.75 4.35 4.05 2dc0A1 LEU 18 HB2 -0.00 0.07 0.01 -0.04 1.64 1.67 2dc0A1 LEU 18 HB3 -0.00 -0.02 0.03 -0.04 1.64 1.61 2dc0A1 LEU 18 HG -0.01 -0.00 -0.19 -0.04 1.64 1.40 2dc0A1 LEU 18 HD13 -0.01 -0.00 0.02 -0.04 0.93 0.89 2dc0A1 LEU 18 HD23 -0.00 0.01 -0.03 -0.04 0.89 0.82 2dc0A1 ALA 19 H -0.01 0.08 -0.24 -0.55 8.40 7.69 2dc0A1 ALA 19 HA -0.02 0.05 0.45 -0.75 4.34 4.07 2dc0A1 ALA 19 HB3 -0.01 0.01 0.11 -0.04 1.41 1.48 2dc0A1 LEU 20 H -0.02 0.53 -0.06 -0.55 8.37 8.27 2dc0A1 LEU 20 HA -0.03 0.05 0.47 -0.75 4.35 4.09 2dc0A1 LEU 20 HB2 -0.02 0.16 0.21 -0.04 1.64 1.95 2dc0A1 LEU 20 HB3 -0.02 -0.02 0.09 -0.04 1.64 1.64 2dc0A1 LEU 20 HG 0.00 0.02 -0.02 -0.04 1.64 1.60 2dc0A1 LEU 20 HD13 0.02 0.02 -0.11 -0.04 0.93 0.81 2dc0A1 LEU 20 HD23 0.00 -0.01 -0.02 -0.04 0.89 0.82 2dc0A1 LEU 21 H -0.07 0.49 -0.20 -0.55 8.37 8.05 2dc0A1 LEU 21 HA -0.27 0.03 0.46 -0.75 4.35 3.82 2dc0A1 LEU 21 HB2 -0.11 0.07 0.11 -0.04 1.64 1.67 2dc0A1 LEU 21 HB3 -0.08 0.09 0.18 -0.04 1.64 1.79 2dc0A1 LEU 21 HG -0.14 -0.04 -0.25 -0.04 1.64 1.17 2dc0A1 LEU 21 HD13 -0.39 -0.01 -0.02 -0.04 0.93 0.47 2dc0A1 LEU 21 HD23 -0.05 -0.01 -0.20 -0.04 0.89 0.59 2dc0A1 GLU 22 H -0.06 0.58 -0.01 -0.55 8.60 8.57 2dc0A1 GLU 22 HA -0.05 -0.04 0.37 -0.75 4.29 3.81 2dc0A1 GLU 22 HB2 -0.03 0.11 0.16 -0.04 2.09 2.30 2dc0A1 GLU 22 HB3 -0.02 -0.03 0.01 -0.04 1.99 1.91 2dc0A1 GLU 22 HG2 -0.03 0.22 0.10 -0.04 2.34 2.59 2dc0A1 GLU 22 HG3 -0.02 -0.04 0.01 -0.04 2.34 2.24 2dc0A1 GLU 23 H -0.05 0.47 -0.36 -0.55 8.60 8.12 2dc0A1 GLU 23 HA -0.01 -0.01 0.46 -0.75 4.29 3.97 2dc0A1 GLU 23 HB2 -0.01 -0.03 0.13 -0.04 2.09 2.13 2dc0A1 GLU 23 HB3 -0.03 0.19 0.21 -0.04 1.99 2.31 2dc0A1 GLU 23 HG2 -0.00 -0.01 0.02 -0.04 2.34 2.31 2dc0A1 GLU 23 HG3 -0.00 0.10 -0.18 -0.04 2.34 2.21 2dc0A1 ALA 24 H -0.11 0.44 -0.04 -0.55 8.40 8.14 2dc0A1 ALA 24 HA -0.02 0.23 0.53 -0.75 4.34 4.32 2dc0A1 ALA 24 HB3 -0.33 0.01 0.13 -0.04 1.41 1.18 2dc0A1 LEU 25 H -0.12 0.65 -0.11 -0.55 8.37 8.25 2dc0A1 LEU 25 HA 0.02 -0.00 0.42 -0.75 4.35 4.03 2dc0A1 LEU 25 HB2 -0.04 0.11 0.08 -0.04 1.64 1.74 2dc0A1 LEU 25 HB3 -0.01 -0.08 0.02 -0.04 1.64 1.53 2dc0A1 LEU 25 HG -0.17 0.20 -0.04 -0.04 1.64 1.60 2dc0A1 LEU 25 HD13 -0.04 -0.03 -0.06 -0.04 0.93 0.76 2dc0A1 LEU 25 HD23 0.02 -0.02 -0.07 -0.04 0.89 0.78 2dc0A1 GLU 26 H -0.01 0.53 -0.24 -0.55 8.60 8.33 2dc0A1 GLU 26 HA 0.01 -0.02 0.52 -0.75 4.29 4.05 2dc0A1 GLU 26 HB2 0.01 0.19 0.20 -0.04 2.09 2.45 2dc0A1 GLU 26 HB3 0.01 -0.06 0.05 -0.04 1.99 1.95 2dc0A1 GLU 26 HG2 -0.00 -0.11 0.04 -0.04 2.34 2.23 2dc0A1 GLU 26 HG3 -0.01 0.42 0.12 -0.04 2.34 2.82 2dc0A1 ARG 27 H 0.05 0.53 -0.11 -0.55 8.46 8.38 2dc0A1 ARG 27 HA 0.18 0.01 0.42 -0.75 4.34 4.19 2dc0A1 ARG 27 HB2 0.09 0.08 -0.01 -0.04 1.90 2.02 2dc0A1 ARG 27 HB3 0.14 0.10 -0.09 -0.04 1.80 1.91 2dc0A1 ARG 27 HG2 0.06 0.15 0.12 -0.04 1.67 1.95 2dc0A1 ARG 27 HG3 0.06 0.12 -0.01 -0.04 1.67 1.79 2dc0A1 ARG 27 HD2 0.15 -0.14 -0.00 -0.04 3.22 3.19 2dc0A1 ARG 27 HD3 0.08 -0.07 0.02 -0.04 3.22 3.20 2dc0A1 ALA 28 H 0.09 0.48 -0.20 -0.55 8.40 8.23 2dc0A1 ALA 28 HA 0.13 0.04 0.28 -0.75 4.34 4.04 2dc0A1 ALA 28 HB3 0.12 0.01 0.02 -0.04 1.41 1.51 2dc0A1 LYS 29 H 0.05 0.45 -0.31 -0.55 8.42 8.05 2dc0A1 LYS 29 HA 0.03 -0.01 0.46 -0.75 4.32 4.04 2dc0A1 LYS 29 HB2 0.02 0.03 0.15 -0.04 1.87 2.02 2dc0A1 LYS 29 HB3 0.01 0.12 0.19 -0.04 1.79 2.07 2dc0A1 LYS 29 HG2 -0.01 -0.01 -0.07 -0.04 1.46 1.34 2dc0A1 LYS 29 HG3 -0.00 -0.04 0.05 -0.04 1.46 1.43 2dc0A1 LYS 29 HD2 -0.01 -0.05 0.01 -0.04 1.69 1.60 2dc0A1 LYS 29 HD3 0.00 -0.03 0.02 -0.04 1.68 1.63 2dc0A1 LYS 29 HE2 0.00 0.14 0.03 -0.04 2.99 3.12 2dc0A1 LYS 29 HE3 -0.00 -0.03 0.00 -0.04 2.99 2.92 2dc0A1 ALA 30 H 0.03 0.63 -0.07 -0.55 8.40 8.43 2dc0A1 ALA 30 HA -0.12 -0.03 0.41 -0.75 4.34 3.84 2dc0A1 ALA 30 HB3 -0.13 0.01 0.11 -0.04 1.41 1.36 2dc0A1 PHE 31 H 0.17 0.60 -0.24 -0.55 8.34 8.31 2dc0A1 PHE 31 HA 0.02 0.12 0.84 -0.75 4.62 4.85 2dc0A1 PHE 31 HB2 0.03 0.16 0.07 -0.04 3.15 3.37 2dc0A1 PHE 31 HB3 0.03 -0.08 0.18 -0.04 3.06 3.14 2dc0A1 PHE 31 HD2 0.02 0.04 0.03 -0.04 7.28 7.33 2dc0A1 PHE 31 HE2 0.01 -0.01 0.00 -0.04 7.38 7.35 2dc0A1 PHE 31 HZ 0.01 -0.04 0.00 -0.04 7.32 7.25 2dc0A1 GLN 32 H 0.03 0.40 -0.44 -0.55 8.47 7.92 2dc0A1 GLN 32 HA 0.07 0.03 0.44 -0.75 4.36 4.15 2dc0A1 GLN 32 HB2 0.03 0.17 0.25 -0.04 2.15 2.56 2dc0A1 GLN 32 HB3 0.02 -0.04 0.10 -0.04 2.02 2.06 2dc0A1 GLN 32 HG2 0.02 -0.03 -0.10 -0.04 2.40 2.25 2dc0A1 GLN 32 HG3 0.03 -0.04 0.09 -0.04 2.39 2.43 2dc0A1 GLN 32 HE21 0.01 -0.06 0.00 -0.04 6.97 6.88 2dc0A1 GLN 32 HE22 0.02 -0.01 -0.01 -0.04 7.69 7.65 2dc0A1 ASP 33 H 0.03 0.15 -0.29 -0.55 8.40 7.75 2dc0A1 ASP 33 HA 0.03 0.08 0.39 -0.75 4.63 4.38 2dc0A1 ASP 33 HB2 0.03 0.04 0.01 -0.04 2.71 2.75 2dc0A1 ASP 33 HB3 0.03 0.02 0.06 -0.04 2.70 2.77 2dc0A1 ARG 34 H 0.12 0.52 -0.43 -0.55 8.46 8.11 2dc0A1 ARG 34 HA 0.07 0.06 0.47 -0.75 4.34 4.19 2dc0A1 ARG 34 HB2 0.12 0.11 0.07 -0.04 1.90 2.17 2dc0A1 ARG 34 HB3 0.07 0.05 0.01 -0.04 1.80 1.88 2dc0A1 ARG 34 HG2 0.26 -0.10 0.01 -0.04 1.67 1.79 2dc0A1 ARG 34 HG3 0.12 0.02 -0.02 -0.04 1.67 1.75 2dc0A1 ARG 34 HD2 0.07 0.13 -0.23 -0.04 3.22 3.15 2dc0A1 ARG 34 HD3 0.10 -0.12 -0.14 -0.04 3.22 3.03 2dc0A1 ASN 35 H 0.06 0.45 -0.31 -0.55 8.53 8.18 2dc0A1 ASN 35 HA 0.04 0.02 0.31 -0.75 4.76 4.39 2dc0A1 ASN 35 HB2 0.04 0.03 -0.18 -0.04 2.88 2.72 2dc0A1 ASN 35 HB3 0.04 0.22 0.01 -0.04 2.79 3.01 2dc0A1 ASN 35 HD21 0.03 0.16 -0.19 -0.04 7.03 6.99 2dc0A1 ASN 35 HD22 0.03 0.18 -0.49 -0.04 7.74 7.41 2dc0A1 ALA 36 H 0.06 0.12 -0.16 -0.55 8.40 7.87 2dc0A1 ALA 36 HA 0.04 0.10 0.49 -0.75 4.34 4.21 2dc0A1 ALA 36 HB3 0.04 0.05 -0.02 -0.04 1.41 1.45 2dc0A1 LEU 37 H 0.04 0.13 -0.15 -0.55 8.37 7.84 2dc0A1 LEU 37 HA 0.02 0.11 1.05 -0.75 4.35 4.78 2dc0A1 LEU 37 HB2 0.03 0.01 -0.02 -0.04 1.64 1.62 2dc0A1 LEU 37 HB3 0.01 0.02 -0.09 -0.04 1.64 1.53 2dc0A1 LEU 37 HG 0.05 -0.02 -0.12 -0.04 1.64 1.51 2dc0A1 LEU 37 HD13 0.08 0.01 -0.12 -0.04 0.93 0.85 2dc0A1 LEU 37 HD23 -0.01 0.03 -0.33 -0.04 0.89 0.55 2dc0A1 ALA 38 H 0.04 0.50 0.24 -0.55 8.40 8.64 2dc0A1 ALA 38 HA 0.06 0.20 0.64 -0.75 4.34 4.48 2dc0A1 ALA 38 HB3 0.06 -0.04 -0.19 -0.04 1.41 1.21 2dc0A1 TYR 39 H 0.10 0.38 0.17 -0.55 8.29 8.38 2dc0A1 TYR 39 HA 0.01 0.14 0.63 -0.75 4.56 4.59 2dc0A1 TYR 39 HB2 -0.00 0.11 -0.19 -0.04 3.06 2.93 2dc0A1 TYR 39 HB3 -0.01 -0.10 0.07 -0.04 2.98 2.89 2dc0A1 TYR 39 HD2 -0.00 0.01 -0.08 -0.04 7.15 7.04 2dc0A1 TYR 39 HE2 0.00 0.02 -0.02 -0.04 6.85 6.81 2dc0A1 LEU 40 H -0.57 0.26 0.09 -0.55 8.37 7.60 2dc0A1 LEU 40 HA -0.11 0.24 0.84 -0.75 4.35 4.56 2dc0A1 LEU 40 HB2 -0.02 0.08 -0.15 -0.04 1.64 1.51 2dc0A1 LEU 40 HB3 -0.09 -0.00 0.03 -0.04 1.64 1.54 2dc0A1 LEU 40 HG -0.01 -0.18 -0.29 -0.04 1.64 1.12 2dc0A1 LEU 40 HD13 0.19 0.03 -0.07 -0.04 0.93 1.04 2dc0A1 LEU 40 HD23 0.05 0.01 -0.08 -0.04 0.89 0.83 2dc0A1 ASP 41 H -0.07 0.39 0.07 -0.55 8.40 8.24 2dc0A1 ASP 41 HA -0.13 0.18 0.96 -0.75 4.63 4.88 2dc0A1 ASP 41 HB2 -0.05 0.12 0.04 -0.04 2.71 2.78 2dc0A1 ASP 41 HB3 0.06 0.05 0.22 -0.04 2.70 2.99 2dc0A1 GLU 42 H -0.03 0.28 0.01 -0.55 8.60 8.32 2dc0A1 GLU 42 HA 0.03 0.13 0.39 -0.75 4.29 4.09 2dc0A1 GLU 42 HB2 -0.01 -0.02 0.11 -0.04 2.09 2.13 2dc0A1 GLU 42 HB3 0.00 0.03 0.01 -0.04 1.99 1.99 2dc0A1 GLU 42 HG2 0.02 0.04 -0.01 -0.04 2.34 2.35 2dc0A1 GLU 42 HG3 -0.00 0.03 -0.00 -0.04 2.34 2.32 2dc0A1 GLU 43 H -0.00 0.12 -0.08 -0.55 8.60 8.10 2dc0A1 GLU 43 HA 0.01 0.09 0.42 -0.75 4.29 4.05 2dc0A1 GLU 43 HB2 0.01 -0.03 0.11 -0.04 2.09 2.14 2dc0A1 GLU 43 HB3 0.01 0.06 -0.02 -0.04 1.99 2.00 2dc0A1 GLU 43 HG2 0.00 0.03 0.04 -0.04 2.34 2.37 2dc0A1 GLU 43 HG3 -0.00 -0.03 0.06 -0.04 2.34 2.33 2dc0A1 ALA 44 H 0.03 0.10 -0.16 -0.55 8.40 7.82 2dc0A1 ALA 44 HA 0.03 0.04 0.40 -0.75 4.34 4.06 2dc0A1 ALA 44 HB3 0.06 0.05 0.09 -0.04 1.41 1.56 2dc0A1 ALA 45 H 0.05 0.45 -0.24 -0.55 8.40 8.12 2dc0A1 ALA 45 HA 0.07 0.07 0.41 -0.75 4.34 4.14 2dc0A1 ALA 45 HB3 0.09 0.03 0.09 -0.04 1.41 1.59 2dc0A1 ARG 46 H 0.01 0.76 0.02 -0.55 8.46 8.70 2dc0A1 ARG 46 HA -0.01 -0.00 0.45 -0.75 4.34 4.02 2dc0A1 ARG 46 HB2 0.00 0.08 0.19 -0.04 1.90 2.13 2dc0A1 ARG 46 HB3 -0.00 -0.06 0.02 -0.04 1.80 1.72 2dc0A1 ARG 46 HG2 -0.02 -0.04 0.03 -0.04 1.67 1.60 2dc0A1 ARG 46 HG3 -0.01 0.14 0.06 -0.04 1.67 1.81 2dc0A1 ARG 46 HD2 -0.01 -0.04 -0.06 -0.04 3.22 3.08 2dc0A1 ARG 46 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.14 2dc0A1 LYS 47 H 0.01 0.64 -0.15 -0.55 8.42 8.37 2dc0A1 LYS 47 HA 0.01 -0.02 0.39 -0.75 4.32 3.95 2dc0A1 LYS 47 HB2 0.01 0.00 0.11 -0.04 1.87 1.96 2dc0A1 LYS 47 HB3 0.02 0.16 0.17 -0.04 1.79 2.10 2dc0A1 LYS 47 HG2 0.01 0.01 -0.19 -0.04 1.46 1.25 2dc0A1 LYS 47 HG3 0.01 -0.05 0.04 -0.04 1.46 1.42 2dc0A1 LYS 47 HD2 0.01 -0.03 -0.01 -0.04 1.69 1.62 2dc0A1 LYS 47 HD3 0.02 0.02 -0.01 -0.04 1.68 1.67 2dc0A1 LYS 47 HE2 0.01 0.01 -0.04 -0.04 2.99 2.94 2dc0A1 LYS 47 HE3 0.01 -0.02 -0.01 -0.04 2.99 2.92 2dc0A1 GLU 48 H 0.02 0.51 -0.18 -0.55 8.60 8.41 2dc0A1 GLU 48 HA 0.00 0.00 0.48 -0.75 4.29 4.02 2dc0A1 GLU 48 HB2 0.02 0.04 0.12 -0.04 2.09 2.23 2dc0A1 GLU 48 HB3 0.02 0.13 0.13 -0.04 1.99 2.23 2dc0A1 GLU 48 HG2 0.01 0.03 -0.02 -0.04 2.34 2.32 2dc0A1 GLU 48 HG3 -0.01 -0.04 -0.15 -0.04 2.34 2.09 2dc0A1 ALA 49 H 0.00 0.63 -0.12 -0.55 8.40 8.36 2dc0A1 ALA 49 HA -0.01 0.01 0.34 -0.75 4.34 3.92 2dc0A1 ALA 49 HB3 -0.02 0.02 0.05 -0.04 1.41 1.43 2dc0A1 LEU 50 H 0.00 0.62 -0.21 -0.55 8.37 8.24 2dc0A1 LEU 50 HA 0.01 -0.05 0.44 -0.75 4.35 4.00 2dc0A1 LEU 50 HB2 0.01 0.21 0.18 -0.04 1.64 1.99 2dc0A1 LEU 50 HB3 0.01 -0.06 0.03 -0.04 1.64 1.58 2dc0A1 LEU 50 HG 0.00 0.26 0.07 -0.04 1.64 1.93 2dc0A1 LEU 50 HD13 0.00 -0.02 -0.02 -0.04 0.93 0.85 2dc0A1 LEU 50 HD23 0.00 -0.03 0.01 -0.04 0.89 0.83 2dc0A1 ALA 51 H 0.01 0.45 -0.11 -0.55 8.40 8.19 2dc0A1 ALA 51 HA 0.02 -0.01 0.45 -0.75 4.34 4.05 2dc0A1 ALA 51 HB3 0.01 0.04 0.13 -0.04 1.41 1.55 2dc0A1 LEU 52 H -0.01 0.60 -0.09 -0.55 8.37 8.33 2dc0A1 LEU 52 HA 0.02 0.05 0.48 -0.75 4.35 4.15 2dc0A1 LEU 52 HB2 -0.04 0.07 0.15 -0.04 1.64 1.77 2dc0A1 LEU 52 HB3 -0.17 -0.05 0.06 -0.04 1.64 1.44 2dc0A1 LEU 52 HG -0.09 0.12 0.05 -0.04 1.64 1.68 2dc0A1 LEU 52 HD13 -0.12 -0.03 -0.06 -0.04 0.93 0.67 2dc0A1 LEU 52 HD23 -0.42 -0.01 0.04 -0.04 0.89 0.45 2dc0A1 THR 53 H 0.04 0.47 -0.22 -0.55 8.28 8.02 2dc0A1 THR 53 HA 0.07 0.02 0.53 -0.75 4.39 4.26 2dc0A1 THR 53 HB 0.02 0.17 0.25 -0.04 4.32 4.72 2dc0A1 THR 53 HG23 0.02 -0.01 -0.03 -0.04 1.22 1.15 2dc0A1 GLU 54 H 0.04 0.57 0.00 -0.55 8.60 8.67 2dc0A1 GLU 54 HA 0.02 0.01 0.45 -0.75 4.29 4.02 2dc0A1 GLU 54 HB2 0.02 0.02 0.15 -0.04 2.09 2.23 2dc0A1 GLU 54 HB3 0.03 0.09 0.14 -0.04 1.99 2.21 2dc0A1 GLU 54 HG2 0.01 -0.03 0.00 -0.04 2.34 2.29 2dc0A1 GLU 54 HG3 0.02 0.01 -0.11 -0.04 2.34 2.22 2dc0A1 GLU 55 H 0.07 0.54 -0.14 -0.55 8.60 8.53 2dc0A1 GLU 55 HA 0.04 -0.01 0.40 -0.75 4.29 3.97 2dc0A1 GLU 55 HB2 0.21 0.05 0.22 -0.04 2.09 2.53 2dc0A1 GLU 55 HB3 0.16 0.27 0.09 -0.04 1.99 2.47 2dc0A1 GLU 55 HG2 0.06 -0.06 0.06 -0.04 2.34 2.36 2dc0A1 GLU 55 HG3 0.06 0.02 0.09 -0.04 2.34 2.46 2dc0A1 LEU 56 H 0.09 0.48 -0.21 -0.55 8.37 8.19 2dc0A1 LEU 56 HA -0.16 -0.03 0.31 -0.75 4.35 3.71 2dc0A1 LEU 56 HB2 -0.01 0.05 0.13 -0.04 1.64 1.78 2dc0A1 LEU 56 HB3 0.03 0.10 0.19 -0.04 1.64 1.91 2dc0A1 LEU 56 HG -0.04 0.02 -0.11 -0.04 1.64 1.48 2dc0A1 LEU 56 HD13 -0.18 -0.02 -0.02 -0.04 0.93 0.68 2dc0A1 LEU 56 HD23 0.03 0.00 0.02 -0.04 0.89 0.90 2dc0A1 ARG 57 H 0.01 0.43 -0.17 -0.55 8.46 8.18 2dc0A1 ARG 57 HA -0.01 0.04 0.45 -0.75 4.34 4.07 2dc0A1 ARG 57 HB2 0.01 0.10 0.18 -0.04 1.90 2.15 2dc0A1 ARG 57 HB3 0.00 -0.07 0.07 -0.04 1.80 1.76 2dc0A1 ARG 57 HG2 0.00 -0.02 0.07 -0.04 1.67 1.68 2dc0A1 ARG 57 HG3 0.01 0.15 0.11 -0.04 1.67 1.90 2dc0A1 ARG 57 HD2 0.01 -0.03 -0.06 -0.04 3.22 3.10 2dc0A1 ARG 57 HD3 0.01 -0.04 0.01 -0.04 3.22 3.15 2dc0A1 ARG 58 H -0.00 0.38 -0.42 -0.55 8.46 7.87 2dc0A1 ARG 58 HA -0.00 0.15 0.88 -0.75 4.34 4.62 2dc0A1 ARG 58 HB2 0.00 -0.07 0.17 -0.04 1.90 1.96 2dc0A1 ARG 58 HB3 0.00 -0.05 0.02 -0.04 1.80 1.73 2dc0A1 ARG 58 HG2 0.01 0.19 0.10 -0.04 1.67 1.94 2dc0A1 ARG 58 HG3 0.00 0.00 -0.04 -0.04 1.67 1.60 2dc0A1 ARG 58 HD2 0.01 -0.04 0.02 -0.04 3.22 3.16 2dc0A1 ARG 58 HD3 0.01 -0.04 -0.03 -0.04 3.22 3.13 2dc0A1 GLY 59 H -0.03 0.46 -0.42 -0.55 8.43 7.90 2dc0A1 GLY 59 HA2 -0.04 0.04 0.30 -0.51 4.01 3.80 2dc0A1 GLY 59 HA3 -0.02 -0.02 0.37 -0.51 4.01 3.82 2dc0A1 GLN 60 H -0.04 0.70 -0.17 -0.55 8.47 8.42 2dc0A1 GLN 60 HA -0.01 0.16 0.87 -0.75 4.36 4.62 2dc0A1 GLN 60 HB2 0.02 -0.04 0.15 -0.04 2.15 2.25 2dc0A1 GLN 60 HB3 0.03 -0.05 0.02 -0.04 2.02 1.97 2dc0A1 GLN 60 HG2 0.00 0.20 -0.24 -0.04 2.40 2.32 2dc0A1 GLN 60 HG3 0.01 -0.09 -0.02 -0.04 2.39 2.25 2dc0A1 GLN 60 HE21 0.01 -0.04 -0.01 -0.04 6.97 6.88 2dc0A1 GLN 60 HE22 0.01 -0.06 -0.02 -0.04 7.69 7.59 2dc0A1 VAL 61 H -0.05 0.25 -0.10 -0.55 8.24 7.78 2dc0A1 VAL 61 HA -0.35 0.06 0.64 -0.75 4.13 3.72 2dc0A1 VAL 61 HB -0.04 0.00 0.07 -0.04 2.12 2.12 2dc0A1 VAL 61 HG13 -0.02 -0.03 -0.11 -0.04 0.97 0.77 2dc0A1 VAL 61 HG23 -0.16 0.01 -0.10 -0.04 0.95 0.66 2dc0A1 ARG 62 H 0.63 0.13 0.17 -0.55 8.46 8.84 2dc0A1 ARG 62 HA 0.09 0.06 0.39 -0.75 4.34 4.13 2dc0A1 ARG 62 HB2 0.13 -0.07 0.05 -0.04 1.90 1.97 2dc0A1 ARG 62 HB3 0.06 0.09 -0.06 -0.04 1.80 1.85 2dc0A1 ARG 62 HG2 0.09 -0.00 -0.01 -0.04 1.67 1.70 2dc0A1 ARG 62 HG3 0.24 0.02 0.08 -0.04 1.67 1.97 2dc0A1 ARG 62 HD2 -0.09 0.00 0.03 -0.04 3.22 3.12 2dc0A1 ARG 62 HD3 0.00 0.02 -0.01 -0.04 3.22 3.20 2dc0A1 GLY 63 H 0.16 0.09 -0.01 -0.55 8.43 8.13 2dc0A1 GLY 63 HA2 0.05 0.08 0.35 -0.51 4.01 3.98 2dc0A1 GLY 63 HA3 0.05 0.10 0.42 -0.51 4.01 4.07 2dc0A1 PRO 64 HA 0.14 0.09 0.48 -0.51 4.44 4.65 2dc0A1 PRO 64 HB2 0.25 -0.01 0.01 -0.04 2.28 2.49 2dc0A1 PRO 64 HB3 0.15 0.01 0.10 -0.04 2.02 2.24 2dc0A1 PRO 64 HG2 -0.06 0.02 0.06 -0.04 2.03 2.01 2dc0A1 PRO 64 HG3 -0.04 0.04 0.06 -0.04 2.03 2.05 2dc0A1 PRO 64 HD2 0.01 0.16 0.30 -0.04 3.68 4.11 2dc0A1 PRO 64 HD3 0.04 0.12 0.18 -0.04 3.65 3.94 2dc0A1 LEU 65 H 0.06 0.45 -0.28 -0.55 8.37 8.06 2dc0A1 LEU 65 HA 0.15 0.17 0.70 -0.75 4.35 4.61 2dc0A1 LEU 65 HB2 0.01 0.00 -0.32 -0.04 1.64 1.29 2dc0A1 LEU 65 HB3 0.04 -0.07 -0.02 -0.04 1.64 1.54 2dc0A1 LEU 65 HG -0.10 -0.01 -0.17 -0.04 1.64 1.31 2dc0A1 LEU 65 HD13 -0.08 0.01 -0.07 -0.04 0.93 0.75 2dc0A1 LEU 65 HD23 0.01 0.02 -0.19 -0.04 0.89 0.70 2dc0A1 HIS 66 H 0.17 0.35 -0.33 -0.55 8.41 8.06 2dc0A1 HIS 66 HA 0.03 0.14 0.37 -0.75 4.63 4.41 2dc0A1 HIS 66 HB2 0.03 -0.12 0.23 -0.04 3.26 3.36 2dc0A1 HIS 66 HB3 0.03 0.05 0.13 -0.04 3.20 3.36 2dc0A1 HIS 66 HD2 0.02 -0.01 -0.50 -0.04 6.97 6.43 2dc0A1 HIS 66 HE1 0.01 0.07 0.12 -0.04 7.75 7.90 2dc0A1 GLY 67 H -0.20 0.51 0.25 -0.55 8.43 8.44 2dc0A1 GLY 67 HA2 -0.06 -0.06 0.34 -0.51 4.01 3.72 2dc0A1 GLY 67 HA3 0.09 0.05 0.47 -0.51 4.01 4.11 2dc0A1 LEU 68 H 0.05 0.63 -0.27 -0.55 8.37 8.22 2dc0A1 LEU 68 HA 0.04 0.14 0.67 -0.75 4.35 4.45 2dc0A1 LEU 68 HB2 0.08 -0.00 0.04 -0.04 1.64 1.71 2dc0A1 LEU 68 HB3 0.08 -0.04 -0.08 -0.04 1.64 1.56 2dc0A1 LEU 68 HG 0.10 0.16 -0.37 -0.04 1.64 1.49 2dc0A1 LEU 68 HD13 0.15 -0.04 -0.05 -0.04 0.93 0.95 2dc0A1 LEU 68 HD23 0.06 -0.01 -0.22 -0.04 0.89 0.68 2dc0A1 PRO 69 HA 0.17 0.37 0.71 -0.51 4.44 5.18 2dc0A1 PRO 69 HB2 -0.21 -0.00 0.04 -0.04 2.28 2.07 2dc0A1 PRO 69 HB3 -0.17 0.01 0.06 -0.04 2.02 1.88 2dc0A1 PRO 69 HG2 0.02 -0.11 0.19 -0.04 2.03 2.09 2dc0A1 PRO 69 HG3 -0.08 0.12 -0.05 -0.04 2.03 1.98 2dc0A1 PRO 69 HD2 0.03 0.05 0.22 -0.04 3.68 3.94 2dc0A1 PRO 69 HD3 -0.01 0.27 0.26 -0.04 3.65 4.13 2dc0A1 LEU 70 H 0.27 0.65 0.40 -0.55 8.37 9.15 2dc0A1 LEU 70 HA 0.16 0.12 0.92 -0.75 4.35 4.79 2dc0A1 LEU 70 HB2 0.05 -0.04 -0.11 -0.04 1.64 1.50 2dc0A1 LEU 70 HB3 0.02 0.09 -0.05 -0.04 1.64 1.65 2dc0A1 LEU 70 HG 0.06 -0.04 -0.14 -0.04 1.64 1.49 2dc0A1 LEU 70 HD13 0.08 0.05 -0.60 -0.04 0.93 0.42 2dc0A1 LEU 70 HD23 0.00 -0.01 -0.17 -0.04 0.89 0.67 2dc0A1 THR 71 H -0.01 0.50 0.38 -0.55 8.28 8.61 2dc0A1 THR 71 HA -0.32 0.14 1.00 -0.75 4.39 4.46 2dc0A1 THR 71 HB -0.17 -0.04 -0.05 -0.04 4.32 4.02 2dc0A1 THR 71 HG23 -0.43 0.00 -0.19 -0.04 1.22 0.56 2dc0A1 VAL 72 H -0.08 0.58 0.36 -0.55 8.24 8.54 2dc0A1 VAL 72 HA -0.01 0.05 1.09 -0.75 4.13 4.50 2dc0A1 VAL 72 HB -0.00 0.03 0.07 -0.04 2.12 2.17 2dc0A1 VAL 72 HG13 0.05 0.06 -0.08 -0.04 0.97 0.96 2dc0A1 VAL 72 HG23 -0.07 -0.01 -0.24 -0.04 0.95 0.58 2dc0A1 LYS 73 H 0.14 0.72 0.38 -0.55 8.42 9.10 2dc0A1 LYS 73 HA 0.08 0.03 0.50 -0.75 4.32 4.17 2dc0A1 LYS 73 HB2 0.15 0.13 0.35 -0.04 1.87 2.46 2dc0A1 LYS 73 HB3 0.29 -0.07 0.17 -0.04 1.79 2.15 2dc0A1 LYS 73 HG2 0.05 -0.06 -0.15 -0.04 1.46 1.26 2dc0A1 LYS 73 HG3 0.07 0.08 0.05 -0.04 1.46 1.62 2dc0A1 LYS 73 HD2 0.10 -0.11 0.10 -0.04 1.69 1.74 2dc0A1 LYS 73 HD3 0.04 -0.02 -0.06 -0.04 1.68 1.59 2dc0A1 LYS 73 HE2 0.03 0.03 -0.14 -0.04 2.99 2.87 2dc0A1 LYS 73 HE3 0.05 0.34 -0.30 -0.04 2.99 3.04 2dc0A1 ASP 74 H 0.05 0.41 0.30 -0.55 8.40 8.61 2dc0A1 ASP 74 HA 0.05 0.24 0.44 -0.75 4.63 4.61 2dc0A1 ASP 74 HB2 0.04 0.17 0.17 -0.04 2.71 3.05 2dc0A1 ASP 74 HB3 0.03 -0.09 0.23 -0.04 2.70 2.83 2dc0A1 LEU 75 H 0.01 0.33 -0.33 -0.55 8.37 7.82 2dc0A1 LEU 75 HA -0.05 0.17 0.83 -0.75 4.35 4.54 2dc0A1 LEU 75 HB2 -0.16 0.06 0.10 -0.04 1.64 1.60 2dc0A1 LEU 75 HB3 -0.07 -0.01 -0.11 -0.04 1.64 1.41 2dc0A1 LEU 75 HG -0.20 -0.07 -0.16 -0.04 1.64 1.17 2dc0A1 LEU 75 HD13 -0.99 0.05 -0.33 -0.04 0.93 -0.38 2dc0A1 LEU 75 HD23 -0.11 0.02 -0.14 -0.04 0.89 0.61 2dc0A1 PHE 76 H 0.12 0.34 0.16 -0.55 8.34 8.41 2dc0A1 PHE 76 HA -0.01 0.14 0.75 -0.75 4.62 4.74 2dc0A1 PHE 76 HB2 -0.01 0.09 0.11 -0.04 3.15 3.30 2dc0A1 PHE 76 HB3 -0.01 -0.00 -0.07 -0.04 3.06 2.93 2dc0A1 PHE 76 HD2 -0.01 0.03 -0.04 -0.04 7.28 7.22 2dc0A1 PHE 76 HE2 -0.00 -0.01 -0.20 -0.04 7.38 7.13 2dc0A1 PHE 76 HZ 0.00 0.04 -0.10 -0.04 7.32 7.21 2dc0A1 PRO 77 HA 0.02 0.08 0.37 -0.51 4.44 4.39 2dc0A1 PRO 77 HB2 0.03 -0.27 -0.40 -0.04 2.28 1.60 2dc0A1 PRO 77 HB3 0.00 0.16 -0.15 -0.04 2.02 1.99 2dc0A1 PRO 77 HG2 0.01 0.16 -0.02 -0.04 2.03 2.15 2dc0A1 PRO 77 HG3 0.00 -0.01 -0.09 -0.04 2.03 1.88 2dc0A1 PRO 77 HD2 0.09 -0.00 0.09 -0.04 3.68 3.82 2dc0A1 PRO 77 HD3 0.03 0.22 0.26 -0.04 3.65 4.12 2dc0A1 VAL 78 H -0.01 0.33 0.14 -0.55 8.24 8.15 2dc0A1 VAL 78 HA 0.00 0.02 0.84 -0.75 4.13 4.24 2dc0A1 VAL 78 HB -0.01 -0.00 -0.03 -0.04 2.12 2.04 2dc0A1 VAL 78 HG13 0.00 0.04 -0.15 -0.04 0.97 0.82 2dc0A1 VAL 78 HG23 0.01 0.03 -0.24 -0.04 0.95 0.72 2dc0A1 LYS 79 H -0.00 0.06 0.07 -0.55 8.42 7.99 2dc0A1 LYS 79 HA -0.01 0.07 0.41 -0.75 4.32 4.03 2dc0A1 LYS 79 HB2 0.00 0.01 0.08 -0.04 1.87 1.91 2dc0A1 LYS 79 HB3 0.00 -0.00 -0.02 -0.04 1.79 1.73 2dc0A1 LYS 79 HG2 -0.00 0.00 -0.08 -0.04 1.46 1.33 2dc0A1 LYS 79 HG3 -0.00 -0.02 -0.02 -0.04 1.46 1.38 2dc0A1 LYS 79 HD2 -0.00 0.02 -0.03 -0.04 1.69 1.63 2dc0A1 LYS 79 HD3 -0.00 -0.00 -0.04 -0.04 1.68 1.60 2dc0A1 LYS 79 HE2 -0.00 -0.03 -0.07 -0.04 2.99 2.85 2dc0A1 LYS 79 HE3 -0.00 0.00 -0.07 -0.04 2.99 2.88 2dc0A1 GLY 80 H -0.02 0.11 0.18 -0.55 8.43 8.16 2dc0A1 GLY 80 HA2 -0.00 -0.04 0.33 -0.51 4.01 3.78 2dc0A1 GLY 80 HA3 0.02 0.07 0.46 -0.51 4.01 4.05 2dc0A1 MET 81 H -0.06 0.51 -0.20 -0.55 8.47 8.17 2dc0A1 MET 81 HA -0.39 0.14 0.89 -0.75 4.52 4.40 2dc0A1 MET 81 HB2 -0.07 0.03 -0.09 -0.04 2.15 1.97 2dc0A1 MET 81 HB3 -0.24 0.03 -0.06 -0.04 2.03 1.72 2dc0A1 MET 81 HG2 0.23 -0.02 -0.19 -0.04 2.63 2.62 2dc0A1 MET 81 HG3 0.06 0.07 -0.49 -0.04 2.56 2.15 2dc0A1 MET 81 HE3 0.06 -0.01 -0.27 -0.04 2.10 1.84 2dc0A1 PRO 82 HA -0.15 0.09 0.52 -0.51 4.44 4.39 2dc0A1 PRO 82 HB2 -0.15 0.05 -0.07 -0.04 2.28 2.07 2dc0A1 PRO 82 HB3 -0.18 0.01 0.05 -0.04 2.02 1.86 2dc0A1 PRO 82 HG2 -0.42 0.01 -0.00 -0.04 2.03 1.57 2dc0A1 PRO 82 HG3 -0.36 0.04 0.03 -0.04 2.03 1.70 2dc0A1 PRO 82 HD2 -1.83 0.06 0.19 -0.04 3.68 2.06 2dc0A1 PRO 82 HD3 -0.64 0.13 0.10 -0.04 3.65 3.19 2dc0A1 THR 83 H -0.08 0.22 0.10 -0.55 8.28 7.97 2dc0A1 THR 83 HA -0.05 0.12 0.80 -0.75 4.39 4.51 2dc0A1 THR 83 HB -0.04 0.02 0.08 -0.04 4.32 4.33 2dc0A1 THR 83 HG23 -0.02 0.01 -0.32 -0.04 1.22 0.85 2dc0A1 ARG 84 H -0.02 0.09 0.14 -0.55 8.46 8.11 2dc0A1 ARG 84 HA -0.05 0.30 0.98 -0.75 4.34 4.82 2dc0A1 ARG 84 HB2 -0.01 -0.06 0.05 -0.04 1.90 1.84 2dc0A1 ARG 84 HB3 -0.04 0.07 0.08 -0.04 1.80 1.88 2dc0A1 ARG 84 HG2 -0.07 0.09 -0.06 -0.04 1.67 1.58 2dc0A1 ARG 84 HG3 -0.06 -0.09 -0.36 -0.04 1.67 1.12 2dc0A1 ARG 84 HD2 -0.03 -0.01 -0.06 -0.04 3.22 3.08 2dc0A1 ARG 84 HD3 0.00 0.02 -0.06 -0.04 3.22 3.14 2dc0A1 ALA 85 H 0.00 0.31 0.24 -0.55 8.40 8.40 2dc0A1 ALA 85 HA 0.02 0.09 0.27 -0.75 4.34 3.96 2dc0A1 ALA 85 HB3 0.03 0.05 0.00 -0.04 1.41 1.45 2dc0A1 GLY 86 H 0.03 0.05 -0.31 -0.55 8.43 7.65 2dc0A1 GLY 86 HA2 0.07 0.04 0.23 -0.51 4.01 3.85 2dc0A1 GLY 86 HA3 0.07 0.02 0.29 -0.51 4.01 3.88 2dc0A1 THR 87 H 0.01 0.54 -0.24 -0.55 8.28 8.04 2dc0A1 THR 87 HA 0.25 0.09 1.01 -0.75 4.39 4.98 2dc0A1 THR 87 HB 0.12 -0.07 -0.08 -0.04 4.32 4.25 2dc0A1 THR 87 HG23 -0.06 0.11 -0.12 -0.04 1.22 1.11 2dc0A1 LYS 88 H -0.59 0.40 0.30 -0.55 8.42 7.98 2dc0A1 LYS 88 HA -0.45 0.17 0.86 -0.75 4.32 4.15 2dc0A1 LYS 88 HB2 -1.65 0.12 0.17 -0.04 1.87 0.47 2dc0A1 LYS 88 HB3 -0.75 -0.04 0.10 -0.04 1.79 1.05 2dc0A1 LYS 88 HG2 -0.99 -0.05 -0.14 -0.04 1.46 0.23 2dc0A1 LYS 88 HG3 -1.38 -0.01 -0.00 -0.04 1.46 0.02 2dc0A1 LYS 88 HD2 -0.41 -0.04 0.04 -0.04 1.69 1.24 2dc0A1 LYS 88 HD3 -0.38 0.06 0.10 -0.04 1.68 1.42 2dc0A1 LYS 88 HE2 -0.22 0.00 -0.01 -0.04 2.99 2.72 2dc0A1 LYS 88 HE3 -0.17 -0.04 0.00 -0.04 2.99 2.74 2dc0A1 ALA 89 H -0.46 -0.02 0.02 -0.55 8.40 7.39 2dc0A1 ALA 89 HA -0.38 0.10 0.58 -0.75 4.34 3.88 2dc0A1 ALA 89 HB3 -0.96 -0.03 -0.06 -0.04 1.41 0.31 2dc0A1 PRO 90 HA -0.15 0.08 0.48 -0.51 4.44 4.34 2dc0A1 PRO 90 HB2 -0.09 0.06 -0.02 -0.04 2.28 2.19 2dc0A1 PRO 90 HB3 -0.22 0.01 0.10 -0.04 2.02 1.86 2dc0A1 PRO 90 HG2 -0.03 -0.05 0.07 -0.04 2.03 1.97 2dc0A1 PRO 90 HG3 -0.15 0.00 0.05 -0.04 2.03 1.90 2dc0A1 PRO 90 HD2 -0.20 0.09 0.25 -0.04 3.68 3.78 2dc0A1 PRO 90 HD3 -0.40 0.14 0.20 -0.04 3.65 3.55 2dc0A1 LEU 91 H -0.06 0.12 0.16 -0.55 8.37 8.04 2dc0A1 LEU 91 HA 0.08 0.18 0.89 -0.75 4.35 4.74 2dc0A1 LEU 91 HB2 -0.02 -0.02 0.04 -0.04 1.64 1.59 2dc0A1 LEU 91 HB3 0.02 0.06 0.04 -0.04 1.64 1.72 2dc0A1 LEU 91 HG -0.03 0.06 -0.15 -0.04 1.64 1.47 2dc0A1 LEU 91 HD13 -0.01 0.01 -0.21 -0.04 0.93 0.68 2dc0A1 LEU 91 HD23 0.12 0.01 -0.15 -0.04 0.89 0.83 2dc0A1 PRO 92 HA -0.03 0.02 0.44 -0.51 4.44 4.36 2dc0A1 PRO 92 HB2 -0.06 0.05 -0.02 -0.04 2.28 2.21 2dc0A1 PRO 92 HB3 -0.06 -0.01 0.15 -0.04 2.02 2.06 2dc0A1 PRO 92 HG2 -0.19 0.05 0.08 -0.04 2.03 1.92 2dc0A1 PRO 92 HG3 -0.10 0.07 0.12 -0.04 2.03 2.08 2dc0A1 PRO 92 HD2 -0.03 0.09 0.14 -0.04 3.68 3.85 2dc0A1 PRO 92 HD3 0.03 0.13 0.20 -0.04 3.65 3.97 2dc0A1 PRO 93 HA -0.03 0.04 0.47 -0.51 4.44 4.42 2dc0A1 PRO 93 HB2 -0.02 0.01 -0.02 -0.04 2.28 2.20 2dc0A1 PRO 93 HB3 -0.02 -0.00 0.11 -0.04 2.02 2.06 2dc0A1 PRO 93 HG2 -0.02 0.02 0.12 -0.04 2.03 2.11 2dc0A1 PRO 93 HG3 -0.02 -0.01 0.09 -0.04 2.03 2.05 2dc0A1 PRO 93 HD2 -0.03 0.08 0.23 -0.04 3.68 3.92 2dc0A1 PRO 93 HD3 -0.02 0.10 0.20 -0.04 3.65 3.88 2dc0A1 LEU 94 H -0.02 0.19 0.20 -0.55 8.37 8.19 2dc0A1 LEU 94 HA -0.02 0.14 0.80 -0.75 4.35 4.52 2dc0A1 LEU 94 HB2 -0.02 -0.05 0.01 -0.04 1.64 1.53 2dc0A1 LEU 94 HB3 -0.01 0.14 0.01 -0.04 1.64 1.74 2dc0A1 LEU 94 HG -0.03 0.13 -0.54 -0.04 1.64 1.17 2dc0A1 LEU 94 HD13 -0.02 -0.02 -0.10 -0.04 0.93 0.75 2dc0A1 LEU 94 HD23 -0.03 0.02 -0.26 -0.04 0.89 0.58 2dc0A1 PRO 95 HA -0.01 0.07 0.50 -0.51 4.44 4.49 2dc0A1 PRO 95 HB2 0.00 -0.05 0.09 -0.04 2.28 2.27 2dc0A1 PRO 95 HB3 -0.00 0.01 0.09 -0.04 2.02 2.08 2dc0A1 PRO 95 HG2 0.01 0.10 -0.12 -0.04 2.03 1.98 2dc0A1 PRO 95 HG3 0.01 -0.05 0.08 -0.04 2.03 2.02 2dc0A1 PRO 95 HD2 -0.00 0.27 0.21 -0.04 3.68 4.11 2dc0A1 PRO 95 HD3 -0.01 0.09 0.13 -0.04 3.65 3.82 2dc0A1 GLU 96 H -0.01 0.08 0.12 -0.55 8.60 8.25 2dc0A1 GLU 96 HA -0.01 0.14 0.36 -0.75 4.29 4.02 2dc0A1 GLU 96 HB2 -0.01 0.01 0.09 -0.04 2.09 2.14 2dc0A1 GLU 96 HB3 -0.01 -0.02 0.05 -0.04 1.99 1.98 2dc0A1 GLU 96 HG2 -0.01 -0.02 -0.21 -0.04 2.34 2.06 2dc0A1 GLU 96 HG3 -0.02 0.01 0.03 -0.04 2.34 2.33 2dc0A1 GLU 97 H 0.00 0.11 -0.24 -0.55 8.60 7.92 2dc0A1 GLU 97 HA 0.02 0.26 0.39 -0.75 4.29 4.20 2dc0A1 GLU 97 HB2 -0.00 -0.03 -0.28 -0.04 2.09 1.74 2dc0A1 GLU 97 HB3 0.00 -0.06 -0.09 -0.04 1.99 1.80 2dc0A1 GLU 97 HG2 0.00 0.22 -0.31 -0.04 2.34 2.21 2dc0A1 GLU 97 HG3 -0.00 0.03 -0.00 -0.04 2.34 2.33 2dc0A1 ALA 98 H 0.05 0.55 0.12 -0.55 8.40 8.57 2dc0A1 ALA 98 HA 0.06 0.13 0.54 -0.75 4.34 4.32 2dc0A1 ALA 98 HB3 0.22 0.02 -0.01 -0.04 1.41 1.59 2dc0A1 ARG 99 H 0.05 0.70 0.20 -0.55 8.46 8.86 2dc0A1 ARG 99 HA -0.00 0.07 0.37 -0.75 4.34 4.02 2dc0A1 ARG 99 HB2 0.01 -0.01 0.11 -0.04 1.90 1.97 2dc0A1 ARG 99 HB3 0.01 -0.03 0.08 -0.04 1.80 1.81 2dc0A1 ARG 99 HG2 -0.01 -0.01 0.00 -0.04 1.67 1.61 2dc0A1 ARG 99 HG3 -0.01 0.05 -0.14 -0.04 1.67 1.53 2dc0A1 ARG 99 HD2 -0.01 -0.03 0.05 -0.04 3.22 3.20 2dc0A1 ARG 99 HD3 -0.00 -0.02 0.02 -0.04 3.22 3.17 2dc0A1 ALA 100 H 0.01 0.18 -0.14 -0.55 8.40 7.90 2dc0A1 ALA 100 HA -0.08 0.17 0.44 -0.75 4.34 4.12 2dc0A1 ALA 100 HB3 -0.21 0.08 0.02 -0.04 1.41 1.26 2dc0A1 VAL 101 H -0.09 0.13 -0.43 -0.55 8.24 7.29 2dc0A1 VAL 101 HA -0.14 0.05 0.42 -0.75 4.13 3.71 2dc0A1 VAL 101 HB -0.03 0.15 0.10 -0.04 2.12 2.31 2dc0A1 VAL 101 HG13 -0.03 -0.01 -0.08 -0.04 0.97 0.81 2dc0A1 VAL 101 HG23 -0.11 0.03 -0.09 -0.04 0.95 0.73 2dc0A1 ARG 102 H -0.03 0.50 -0.18 -0.55 8.46 8.19 2dc0A1 ARG 102 HA -0.02 -0.03 0.36 -0.75 4.34 3.89 2dc0A1 ARG 102 HB2 -0.01 -0.00 0.01 -0.04 1.90 1.85 2dc0A1 ARG 102 HB3 -0.02 0.21 0.11 -0.04 1.80 2.06 2dc0A1 ARG 102 HG2 -0.02 0.04 -0.20 -0.04 1.67 1.45 2dc0A1 ARG 102 HG3 -0.01 -0.06 0.02 -0.04 1.67 1.57 2dc0A1 ARG 102 HD2 -0.01 0.02 -0.04 -0.04 3.22 3.15 2dc0A1 ARG 102 HD3 -0.01 -0.01 -0.04 -0.04 3.22 3.12 2dc0A1 ARG 103 H -0.05 0.36 -0.40 -0.55 8.46 7.81 2dc0A1 ARG 103 HA -0.04 0.03 0.37 -0.75 4.34 3.94 2dc0A1 ARG 103 HB2 -0.08 0.19 0.17 -0.04 1.90 2.14 2dc0A1 ARG 103 HB3 -0.07 0.09 -0.07 -0.04 1.80 1.71 2dc0A1 ARG 103 HG2 -0.04 -0.01 0.05 -0.04 1.67 1.63 2dc0A1 ARG 103 HG3 -0.05 0.15 0.09 -0.04 1.67 1.81 2dc0A1 ARG 103 HD2 -0.05 0.23 0.04 -0.04 3.22 3.40 2dc0A1 ARG 103 HD3 -0.03 -0.11 0.02 -0.04 3.22 3.06 2dc0A1 LEU 104 H -0.08 0.33 -0.26 -0.55 8.37 7.82 2dc0A1 LEU 104 HA -0.07 0.03 0.36 -0.75 4.35 3.92 2dc0A1 LEU 104 HB2 -0.07 0.10 0.12 -0.04 1.64 1.75 2dc0A1 LEU 104 HB3 -0.05 -0.07 -0.08 -0.04 1.64 1.39 2dc0A1 LEU 104 HG -0.12 0.21 0.02 -0.04 1.64 1.71 2dc0A1 LEU 104 HD13 -0.11 -0.03 -0.10 -0.04 0.93 0.64 2dc0A1 LEU 104 HD23 -0.09 -0.01 -0.11 -0.04 0.89 0.64 2dc0A1 ARG 105 H -0.04 0.74 -0.01 -0.55 8.46 8.60 2dc0A1 ARG 105 HA -0.02 0.10 0.37 -0.75 4.34 4.04 2dc0A1 ARG 105 HB2 -0.02 -0.02 0.05 -0.04 1.90 1.88 2dc0A1 ARG 105 HB3 -0.02 0.02 0.10 -0.04 1.80 1.87 2dc0A1 ARG 105 HG2 -0.01 0.01 -0.24 -0.04 1.67 1.39 2dc0A1 ARG 105 HG3 -0.01 0.02 0.00 -0.04 1.67 1.64 2dc0A1 ARG 105 HD2 -0.00 -0.02 -0.04 -0.04 3.22 3.11 2dc0A1 ARG 105 HD3 -0.01 -0.02 -0.03 -0.04 3.22 3.12 2dc0A1 GLU 106 H -0.02 0.74 -0.13 -0.55 8.60 8.64 2dc0A1 GLU 106 HA -0.01 0.01 0.40 -0.75 4.29 3.95 2dc0A1 GLU 106 HB2 -0.02 0.12 0.06 -0.04 2.09 2.21 2dc0A1 GLU 106 HB3 -0.01 -0.04 0.08 -0.04 1.99 1.98 2dc0A1 GLU 106 HG2 -0.01 -0.09 0.01 -0.04 2.34 2.21 2dc0A1 GLU 106 HG3 -0.02 0.25 0.11 -0.04 2.34 2.64 2dc0A1 ALA 107 H -0.03 0.30 -0.70 -0.55 8.40 7.43 2dc0A1 ALA 107 HA -0.00 0.11 0.53 -0.75 4.34 4.23 2dc0A1 ALA 107 HB3 -0.05 0.02 0.09 -0.04 1.41 1.43 2dc0A1 GLY 108 H -0.01 0.56 -0.52 -0.55 8.43 7.92 2dc0A1 GLY 108 HA2 -0.05 0.07 0.20 -0.51 4.01 3.72 2dc0A1 GLY 108 HA3 0.00 -0.05 0.53 -0.51 4.01 3.98 2dc0A1 ALA 109 H -0.02 0.34 -0.16 -0.55 8.40 8.02 2dc0A1 ALA 109 HA 0.01 0.24 0.36 -0.75 4.34 4.20 2dc0A1 ALA 109 HB3 0.00 -0.02 -0.14 -0.04 1.41 1.21 2dc0A1 LEU 110 H 0.04 0.76 0.07 -0.55 8.37 8.70 2dc0A1 LEU 110 HA 0.03 0.13 0.71 -0.75 4.35 4.46 2dc0A1 LEU 110 HB2 -0.00 -0.01 -0.14 -0.04 1.64 1.44 2dc0A1 LEU 110 HB3 0.05 -0.01 -0.28 -0.04 1.64 1.36 2dc0A1 LEU 110 HG 0.12 -0.07 -0.24 -0.04 1.64 1.41 2dc0A1 LEU 110 HD13 0.04 0.02 -0.13 -0.04 0.93 0.82 2dc0A1 LEU 110 HD23 -0.03 -0.00 -0.09 -0.04 0.89 0.73 2dc0A1 LEU 111 H 0.05 0.26 -0.04 -0.55 8.37 8.09 2dc0A1 LEU 111 HA 0.06 0.26 0.66 -0.75 4.35 4.58 2dc0A1 LEU 111 HB2 0.02 0.00 0.11 -0.04 1.64 1.73 2dc0A1 LEU 111 HB3 -0.01 0.01 -0.05 -0.04 1.64 1.54 2dc0A1 LEU 111 HG 0.00 0.08 -0.20 -0.04 1.64 1.48 2dc0A1 LEU 111 HD13 -0.03 -0.00 -0.06 -0.04 0.93 0.80 2dc0A1 LEU 111 HD23 -0.02 -0.00 -0.26 -0.04 0.89 0.57 2dc0A1 PHE 112 H 0.08 0.44 0.27 -0.55 8.34 8.58 2dc0A1 PHE 112 HA 0.03 0.21 0.93 -0.75 4.62 5.04 2dc0A1 PHE 112 HB2 0.01 -0.09 0.07 -0.04 3.15 3.10 2dc0A1 PHE 112 HB3 0.01 -0.00 -0.10 -0.04 3.06 2.93 2dc0A1 PHE 112 HD2 0.01 0.02 -0.03 -0.04 7.28 7.25 2dc0A1 PHE 112 HE2 0.02 -0.04 -0.34 -0.04 7.38 6.98 2dc0A1 PHE 112 HZ 0.02 0.10 -0.62 -0.04 7.32 6.78 2dc0A1 ALA 113 H -0.39 0.22 0.12 -0.55 8.40 7.80 2dc0A1 ALA 113 HA -0.02 0.10 0.54 -0.75 4.34 4.21 2dc0A1 ALA 113 HB3 -0.30 0.05 -0.04 -0.04 1.41 1.07 2dc0A1 LYS 114 H 0.07 0.45 0.34 -0.55 8.42 8.73 2dc0A1 LYS 114 HA -0.00 0.35 0.92 -0.75 4.32 4.83 2dc0A1 LYS 114 HB2 0.10 -0.13 0.12 -0.04 1.87 1.92 2dc0A1 LYS 114 HB3 0.04 0.01 0.09 -0.04 1.79 1.89 2dc0A1 LYS 114 HG2 0.11 -0.08 -0.06 -0.04 1.46 1.38 2dc0A1 LYS 114 HG3 -0.02 0.18 -0.01 -0.04 1.46 1.57 2dc0A1 LYS 114 HD2 0.01 0.00 -0.14 -0.04 1.69 1.52 2dc0A1 LYS 114 HD3 0.00 -0.02 -0.14 -0.04 1.68 1.48 2dc0A1 LYS 114 HE2 0.01 0.05 -0.07 -0.04 2.99 2.94 2dc0A1 LYS 114 HE3 0.04 -0.16 -0.05 -0.04 2.99 2.78 2dc0A1 THR 115 H 0.02 0.45 0.16 -0.55 8.28 8.37 2dc0A1 THR 115 HA 0.01 0.19 1.14 -0.75 4.39 4.98 2dc0A1 THR 115 HB 0.02 0.06 -0.20 -0.04 4.32 4.17 2dc0A1 THR 115 HG23 -0.02 0.01 -0.30 -0.04 1.22 0.86 2dc0A1 ASN 116 H 0.03 0.67 0.13 -0.55 8.53 8.82 2dc0A1 ASN 116 HA 0.04 0.04 -0.06 -0.75 4.76 4.03 2dc0A1 ASN 116 HB2 0.04 0.12 0.05 -0.04 2.88 3.04 2dc0A1 ASN 116 HB3 0.04 0.02 0.01 -0.04 2.79 2.82 2dc0A1 ASN 116 HD21 0.04 0.05 -0.20 -0.04 7.03 6.88 2dc0A1 ASN 116 HD22 0.04 0.40 -0.10 -0.04 7.74 8.04 2dc0A1 HIS 118 HA 0.02 -0.02 0.11 -0.75 4.63 3.97 2dc0A1 HIS 118 HB2 -0.00 -0.06 0.00 -0.04 3.26 3.16 2dc0A1 HIS 118 HB3 0.01 -0.01 -0.10 -0.04 3.20 3.05 2dc0A1 HIS 118 HD2 0.01 0.20 -0.49 -0.04 6.97 6.64 2dc0A1 HIS 118 HE1 -0.04 -0.02 0.05 -0.04 7.75 7.70 2dc0A1 GLU 119 H -0.26 0.06 0.09 -0.55 8.60 7.94 2dc0A1 GLU 119 HA 0.09 0.17 0.43 -0.75 4.29 4.23 2dc0A1 GLU 119 HB2 0.06 0.05 0.26 -0.04 2.09 2.43 2dc0A1 GLU 119 HB3 0.05 -0.12 0.18 -0.04 1.99 2.05 2dc0A1 GLU 119 HG2 0.22 -0.01 -0.20 -0.04 2.34 2.31 2dc0A1 GLU 119 HG3 0.23 0.13 -0.07 -0.04 2.34 2.59 2dc0A1 ILE 120 H 0.09 0.76 0.31 -0.55 8.25 8.86 2dc0A1 ILE 120 HA 0.07 0.10 0.37 -0.75 4.18 3.96 2dc0A1 ILE 120 HB -0.03 0.04 0.19 -0.04 1.89 2.05 2dc0A1 ILE 120 HG12 0.05 -0.10 -0.46 -0.04 1.49 0.94 2dc0A1 ILE 120 HG13 -0.00 -0.03 0.00 -0.04 1.21 1.15 2dc0A1 ILE 120 HG23 0.05 -0.00 -0.00 -0.04 0.93 0.93 2dc0A1 ILE 120 HD13 -0.37 -0.00 -0.03 -0.04 0.88 0.44 2dc0A1 ALA 121 H 0.10 0.66 -0.50 -0.55 8.40 8.11 2dc0A1 ALA 121 HA 0.08 0.07 0.22 -0.75 4.34 3.96 2dc0A1 ALA 121 HB3 0.03 0.02 -0.01 -0.04 1.41 1.41 2dc0A1 LEU 122 H 0.11 0.64 -0.44 -0.55 8.37 8.13 2dc0A1 LEU 122 HA 0.01 0.08 0.72 -0.75 4.35 4.40 2dc0A1 LEU 122 HB2 -0.00 0.11 -0.04 -0.04 1.64 1.66 2dc0A1 LEU 122 HB3 0.03 0.02 0.15 -0.04 1.64 1.80 2dc0A1 LEU 122 HG -0.01 -0.09 -0.00 -0.04 1.64 1.50 2dc0A1 LEU 122 HD13 -0.01 -0.00 -0.09 -0.04 0.93 0.78 2dc0A1 LEU 122 HD23 -0.07 0.00 -0.05 -0.04 0.89 0.73 2dc0A1 GLY 123 H -0.13 0.39 -0.20 -0.55 8.43 7.94 2dc0A1 GLY 123 HA2 -0.29 -0.00 0.27 -0.51 4.01 3.47 2dc0A1 GLY 123 HA3 -1.33 0.08 0.43 -0.51 4.01 2.68 2dc0A1 ILE 124 H -0.24 0.12 0.05 -0.55 8.25 7.62 2dc0A1 ILE 124 HA -0.14 0.20 0.75 -0.75 4.18 4.24 2dc0A1 ILE 124 HB -0.11 0.10 0.08 -0.04 1.89 1.93 2dc0A1 ILE 124 HG12 0.08 0.11 -0.16 -0.04 1.49 1.48 2dc0A1 ILE 124 HG13 0.03 -0.13 -0.07 -0.04 1.21 1.00 2dc0A1 ILE 124 HG23 -0.04 0.01 -0.29 -0.04 0.93 0.56 2dc0A1 ILE 124 HD13 0.20 0.03 -0.49 -0.04 0.88 0.58 2dc0A1 THR 125 H -0.11 -0.00 -0.04 -0.55 8.28 7.58 2dc0A1 THR 125 HA 0.01 0.25 0.57 -0.75 4.39 4.47 2dc0A1 THR 125 HB -0.06 0.09 0.04 -0.04 4.32 4.35 2dc0A1 THR 125 HG23 -0.22 -0.01 -0.01 -0.04 1.22 0.94 2dc0A1 GLY 126 H 0.54 -0.03 -0.16 -0.55 8.43 8.22 2dc0A1 GLY 126 HA2 0.12 0.02 0.22 -0.51 4.01 3.86 2dc0A1 GLY 126 HA3 0.07 0.43 0.58 -0.51 4.01 4.58 2dc0A1 GLU 127 H 0.07 -0.11 -0.30 -0.55 8.60 7.71 2dc0A1 GLU 127 HA -0.04 0.15 0.63 -0.75 4.29 4.27 2dc0A1 GLU 127 HB2 -0.03 -0.12 0.06 -0.04 2.09 1.97 2dc0A1 GLU 127 HB3 -0.07 0.02 -0.05 -0.04 1.99 1.84 2dc0A1 GLU 127 HG2 -0.02 0.11 -0.03 -0.04 2.34 2.36 2dc0A1 GLU 127 HG3 -0.01 0.11 -0.15 -0.04 2.34 2.25 2dc0A1 ASN 128 H -0.09 0.31 -0.11 -0.55 8.53 8.10 2dc0A1 ASN 128 HA -0.25 0.09 0.77 -0.75 4.76 4.62 2dc0A1 ASN 128 HB2 -0.14 0.04 -0.30 -0.04 2.88 2.44 2dc0A1 ASN 128 HB3 -0.05 0.27 -0.01 -0.04 2.79 2.96 2dc0A1 ASN 128 HD21 0.10 0.51 0.23 -0.04 7.03 7.83 2dc0A1 ASN 128 HD22 -0.04 -0.03 0.01 -0.04 7.74 7.64 2dc0A1 PRO 129 HA -0.17 0.15 0.49 -0.51 4.44 4.39 2dc0A1 PRO 129 HB2 -0.56 0.10 0.03 -0.04 2.28 1.81 2dc0A1 PRO 129 HB3 -0.32 0.01 0.10 -0.04 2.02 1.76 2dc0A1 PRO 129 HG2 -1.35 0.08 0.07 -0.04 2.03 0.80 2dc0A1 PRO 129 HG3 -0.63 -0.03 0.11 -0.04 2.03 1.44 2dc0A1 PRO 129 HD2 -0.40 0.10 0.27 -0.04 3.68 3.61 2dc0A1 PRO 129 HD3 -0.30 0.12 0.09 -0.04 3.65 3.52 2dc0A1 TRP 130 H -0.20 0.02 -0.20 -0.55 7.97 7.04 2dc0A1 TRP 130 HA -0.02 0.16 0.55 -0.75 4.62 4.55 2dc0A1 TRP 130 HB2 -0.03 -0.01 -0.00 -0.04 3.23 3.15 2dc0A1 TRP 130 HB3 -0.03 0.07 -0.13 -0.04 3.23 3.10 2dc0A1 TRP 130 HD1 -0.03 0.23 0.21 -0.04 7.22 7.58 2dc0A1 TRP 130 HE1 -0.01 -0.07 0.09 -0.04 10.20 10.17 2dc0A1 TRP 130 HE3 -0.02 0.08 -0.06 -0.04 7.59 7.54 2dc0A1 TRP 130 HZ2 -0.01 0.14 -0.58 -0.04 7.44 6.94 2dc0A1 TRP 130 HZ3 -0.01 -0.01 -0.05 -0.04 7.13 7.02 2dc0A1 TRP 130 HH2 -0.01 0.06 -0.04 -0.04 7.19 7.15 2dc0A1 THR 131 H 0.14 -0.03 -0.10 -0.55 8.28 7.74 2dc0A1 THR 131 HA 0.10 0.16 0.68 -0.75 4.39 4.57 2dc0A1 THR 131 HB 0.06 0.06 0.06 -0.04 4.32 4.46 2dc0A1 THR 131 HG23 0.11 -0.04 -0.07 -0.04 1.22 1.17 2dc0A1 GLY 132 H 0.02 0.08 -0.22 -0.55 8.43 7.76 2dc0A1 GLY 132 HA2 -0.01 -0.06 0.34 -0.51 4.01 3.78 2dc0A1 GLY 132 HA3 0.02 0.19 0.71 -0.51 4.01 4.42 2dc0A1 PRO 133 HA -0.02 0.01 0.64 -0.51 4.44 4.56 2dc0A1 PRO 133 HB2 0.00 0.18 -0.12 -0.04 2.28 2.31 2dc0A1 PRO 133 HB3 -0.02 -0.21 0.10 -0.04 2.02 1.84 2dc0A1 PRO 133 HG2 0.00 0.14 0.01 -0.04 2.03 2.15 2dc0A1 PRO 133 HG3 -0.01 -0.03 0.02 -0.04 2.03 1.98 2dc0A1 PRO 133 HD2 -0.00 0.13 0.19 -0.04 3.68 3.96 2dc0A1 PRO 133 HD3 -0.03 0.00 0.14 -0.04 3.65 3.72 2dc0A1 VAL 134 H 0.01 0.43 0.25 -0.55 8.24 8.38 2dc0A1 VAL 134 HA 0.03 0.31 0.66 -0.75 4.13 4.38 2dc0A1 VAL 134 HB 0.03 -0.07 0.09 -0.04 2.12 2.14 2dc0A1 VAL 134 HG13 0.04 -0.01 -0.37 -0.04 0.97 0.58 2dc0A1 VAL 134 HG23 0.03 0.03 -0.02 -0.04 0.95 0.95 2dc0A1 ARG 135 H 0.04 0.67 0.19 -0.55 8.46 8.81 2dc0A1 ARG 135 HA 0.04 0.10 0.78 -0.75 4.34 4.50 2dc0A1 ARG 135 HB2 0.05 -0.05 0.12 -0.04 1.90 1.98 2dc0A1 ARG 135 HB3 0.04 -0.03 0.09 -0.04 1.80 1.86 2dc0A1 ARG 135 HG2 0.03 -0.01 -0.09 -0.04 1.67 1.56 2dc0A1 ARG 135 HG3 0.03 0.08 -0.21 -0.04 1.67 1.53 2dc0A1 ARG 135 HD2 0.04 0.20 0.04 -0.04 3.22 3.45 2dc0A1 ARG 135 HD3 0.03 -0.04 0.03 -0.04 3.22 3.20 2dc0A1 ASN 136 H 0.04 0.53 0.02 -0.55 8.53 8.58 2dc0A1 ASN 136 HA 0.06 -0.02 0.26 -0.75 4.76 4.31 2dc0A1 ASN 136 HB2 0.05 0.21 -0.51 -0.04 2.88 2.58 2dc0A1 ASN 136 HB3 0.02 0.17 -0.04 -0.04 2.79 2.90 2dc0A1 ASN 136 HD21 0.04 0.43 -0.03 -0.04 7.03 7.43 2dc0A1 ASN 136 HD22 0.08 0.38 -0.02 -0.04 7.74 8.14 2dc0A1 ALA 137 H 0.02 0.13 0.12 -0.55 8.40 8.13 2dc0A1 ALA 137 HA -0.04 0.09 0.33 -0.75 4.34 3.97 2dc0A1 ALA 137 HB3 -0.05 0.02 0.08 -0.04 1.41 1.42 2dc0A1 VAL 138 H 0.00 0.05 -0.20 -0.55 8.24 7.54 2dc0A1 VAL 138 HA -0.01 0.15 0.63 -0.75 4.13 4.14 2dc0A1 VAL 138 HB -0.00 -0.00 0.03 -0.04 2.12 2.11 2dc0A1 VAL 138 HG13 -0.00 0.01 -0.05 -0.04 0.97 0.89 2dc0A1 VAL 138 HG23 -0.01 0.01 0.02 -0.04 0.95 0.93 2dc0A1 ASP 139 H 0.01 0.12 -0.28 -0.55 8.40 7.71 2dc0A1 ASP 139 HA 0.03 0.18 0.73 -0.75 4.63 4.82 2dc0A1 ASP 139 HB2 0.00 0.11 -0.18 -0.04 2.71 2.60 2dc0A1 ASP 139 HB3 -0.00 0.00 0.06 -0.04 2.70 2.72 2dc0A1 PRO 140 HA 0.04 0.16 0.34 -0.51 4.44 4.47 2dc0A1 PRO 140 HB2 0.04 -0.00 -0.00 -0.04 2.28 2.28 2dc0A1 PRO 140 HB3 0.07 0.10 -0.00 -0.04 2.02 2.14 2dc0A1 PRO 140 HG2 0.03 -0.05 -0.04 -0.04 2.03 1.94 2dc0A1 PRO 140 HG3 0.05 0.03 -0.00 -0.04 2.03 2.07 2dc0A1 PRO 140 HD2 0.04 0.05 0.16 -0.04 3.68 3.89 2dc0A1 PRO 140 HD3 0.07 0.26 -0.03 -0.04 3.65 3.90 2dc0A1 SER 141 H 0.02 0.04 -0.57 -0.55 8.46 7.41 2dc0A1 SER 141 HA 0.01 0.13 0.65 -0.75 4.49 4.54 2dc0A1 SER 141 HB2 0.01 -0.05 0.10 -0.04 3.95 3.97 2dc0A1 SER 141 HB3 0.01 -0.02 0.01 -0.04 3.93 3.90 2dc0A1 ARG 142 H 0.01 0.52 -0.16 -0.55 8.46 8.28 2dc0A1 ARG 142 HA -0.00 0.04 0.73 -0.75 4.34 4.36 2dc0A1 ARG 142 HB2 -0.01 0.06 -0.01 -0.04 1.90 1.90 2dc0A1 ARG 142 HB3 -0.05 0.10 -0.19 -0.04 1.80 1.62 2dc0A1 ARG 142 HG2 -0.01 -0.18 -0.14 -0.04 1.67 1.29 2dc0A1 ARG 142 HG3 -0.04 0.06 -0.07 -0.04 1.67 1.58 2dc0A1 ARG 142 HD2 -0.04 0.17 -0.32 -0.04 3.22 2.99 2dc0A1 ARG 142 HD3 -0.01 -0.08 -0.36 -0.04 3.22 2.73 2dc0A1 GLN 143 H 0.01 0.62 0.10 -0.55 8.47 8.66 2dc0A1 GLN 143 HA 0.06 0.02 0.45 -0.75 4.36 4.13 2dc0A1 GLN 143 HB2 0.17 -0.05 0.10 -0.04 2.15 2.33 2dc0A1 GLN 143 HB3 0.13 0.24 0.13 -0.04 2.02 2.48 2dc0A1 GLN 143 HG2 0.02 -0.16 -0.01 -0.04 2.40 2.21 2dc0A1 GLN 143 HG3 0.03 0.28 -0.18 -0.04 2.39 2.48 2dc0A1 GLN 143 HE21 -0.35 -0.03 0.01 -0.04 6.97 6.56 2dc0A1 GLN 143 HE22 -0.07 -0.21 0.04 -0.04 7.69 7.41 2dc0A1 ALA 144 H 0.08 0.26 0.22 -0.55 8.40 8.42 2dc0A1 ALA 144 HA 0.12 -0.11 0.45 -0.75 4.34 4.05 2dc0A1 ALA 144 HB3 0.06 -0.04 -0.37 -0.04 1.41 1.01 2dc0A1 GLY 145 HA2 -0.04 0.08 0.05 -0.51 4.01 3.60 2dc0A1 GLY 145 HA3 -0.35 0.13 0.18 -0.51 4.01 3.46 2dc0A1 GLY 146 H -0.22 0.40 0.04 -0.55 8.43 8.10 2dc0A1 GLY 146 HA2 -0.03 0.06 -0.19 -0.51 4.01 3.35 2dc0A1 GLY 146 HA3 -0.01 -0.08 0.37 -0.51 4.01 3.77 2dc0A1 SER 147 H -0.00 0.06 0.26 -0.55 8.46 8.23 2dc0A1 SER 147 HA 0.09 0.04 0.33 -0.75 4.49 4.19 2dc0A1 SER 147 HB2 0.13 0.15 0.16 -0.04 3.95 4.34 2dc0A1 SER 147 HB3 0.02 0.18 0.10 -0.04 3.93 4.18 2dc0A1 SER 148 H 0.01 0.39 -0.12 -0.55 8.46 8.20 2dc0A1 SER 148 HA 0.05 0.07 0.66 -0.75 4.49 4.51 2dc0A1 SER 148 HB2 0.03 0.18 0.17 -0.04 3.95 4.29 2dc0A1 SER 148 HB3 0.05 -0.11 0.14 -0.04 3.93 3.97 2dc0A1 GLY 149 H 0.04 0.21 -0.60 -0.55 8.43 7.53 2dc0A1 GLY 149 HA2 0.01 0.11 0.14 -0.51 4.01 3.76 2dc0A1 GLY 149 HA3 0.03 0.23 0.16 -0.51 4.01 3.92 2dc0A1 GLY 150 H 0.04 0.50 -0.01 -0.55 8.43 8.40 2dc0A1 GLY 150 HA2 0.03 0.06 0.41 -0.51 4.01 4.00 2dc0A1 GLY 150 HA3 0.03 0.08 0.37 -0.51 4.01 3.98 2dc0A1 SER 151 H 0.04 0.11 -0.49 -0.55 8.46 7.57 2dc0A1 SER 151 HA 0.02 0.03 0.27 -0.75 4.49 4.06 2dc0A1 SER 151 HB2 0.04 0.15 -0.03 -0.04 3.95 4.08 2dc0A1 SER 151 HB3 0.04 -0.03 -0.21 -0.04 3.93 3.69 2dc0A1 ALA 152 H 0.03 0.49 -0.21 -0.55 8.40 8.16 2dc0A1 ALA 152 HA 0.03 -0.01 0.29 -0.75 4.34 3.91 2dc0A1 ALA 152 HB3 0.03 0.05 -0.16 -0.04 1.41 1.29 2dc0A1 VAL 153 H 0.03 0.58 -0.16 -0.55 8.24 8.14 2dc0A1 VAL 153 HA 0.01 0.02 0.39 -0.75 4.13 3.79 2dc0A1 VAL 153 HB 0.03 0.01 0.05 -0.04 2.12 2.17 2dc0A1 VAL 153 HG13 0.00 -0.00 -0.14 -0.04 0.97 0.79 2dc0A1 VAL 153 HG23 0.04 0.03 -0.07 -0.04 0.95 0.90 2dc0A1 ALA 154 H 0.02 0.56 -0.26 -0.55 8.40 8.18 2dc0A1 ALA 154 HA 0.03 -0.03 0.33 -0.75 4.34 3.92 2dc0A1 ALA 154 HB3 0.04 0.07 0.02 -0.04 1.41 1.49 2dc0A1 VAL 155 H 0.03 0.47 -0.30 -0.55 8.24 7.88 2dc0A1 VAL 155 HA 0.04 0.11 0.12 -0.75 4.13 3.65 2dc0A1 VAL 155 HB 0.03 0.11 -0.04 -0.04 2.12 2.18 2dc0A1 VAL 155 HG13 0.04 -0.01 -0.40 -0.04 0.97 0.56 2dc0A1 VAL 155 HG23 0.04 0.02 -0.24 -0.04 0.95 0.73 2dc0A1 ALA 156 H 0.00 0.52 -0.28 -0.55 8.40 8.10 2dc0A1 ALA 156 HA -0.01 0.02 0.36 -0.75 4.34 3.96 2dc0A1 ALA 156 HB3 -0.02 0.00 0.06 -0.04 1.41 1.41 2dc0A1 LEU 157 H -0.06 0.44 -0.30 -0.55 8.37 7.90 2dc0A1 LEU 157 HA -0.22 0.13 0.65 -0.75 4.35 4.16 2dc0A1 LEU 157 HB2 -0.12 0.01 0.05 -0.04 1.64 1.54 2dc0A1 LEU 157 HB3 -0.39 -0.09 0.09 -0.04 1.64 1.21 2dc0A1 LEU 157 HG -0.19 0.07 0.02 -0.04 1.64 1.51 2dc0A1 LEU 157 HD13 -0.24 -0.03 -0.02 -0.04 0.93 0.60 2dc0A1 LEU 157 HD23 -0.75 0.04 -0.02 -0.04 0.89 0.12 2dc0A1 GLY 158 H -0.01 0.36 -0.41 -0.55 8.43 7.82 2dc0A1 GLY 158 HA2 0.03 0.10 0.26 -0.51 4.01 3.88 2dc0A1 GLY 158 HA3 0.02 0.02 0.53 -0.51 4.01 4.07 2dc0A1 ILE 159 H 0.05 0.53 -0.16 -0.55 8.25 8.12 2dc0A1 ILE 159 HA 0.13 0.05 0.57 -0.75 4.18 4.18 2dc0A1 ILE 159 HB 0.10 -0.07 0.14 -0.04 1.89 2.02 2dc0A1 ILE 159 HG12 0.13 -0.07 -0.38 -0.04 1.49 1.13 2dc0A1 ILE 159 HG13 0.06 0.09 -0.28 -0.04 1.21 1.04 2dc0A1 ILE 159 HG23 0.22 -0.03 -0.11 -0.04 0.93 0.97 2dc0A1 ILE 159 HD13 0.09 -0.01 -0.14 -0.04 0.88 0.78 2dc0A1 GLY 160 H 0.11 0.33 -0.08 -0.55 8.43 8.25 2dc0A1 GLY 160 HA2 0.23 -0.03 0.22 -0.51 4.01 3.92 2dc0A1 GLY 160 HA3 0.37 0.07 0.54 -0.51 4.01 4.48 2dc0A1 LEU 161 H 0.13 0.66 0.28 -0.55 8.37 8.88 2dc0A1 LEU 161 HA 0.06 0.24 0.61 -0.75 4.35 4.51 2dc0A1 LEU 161 HB2 0.08 0.03 0.05 -0.04 1.64 1.76 2dc0A1 LEU 161 HB3 0.06 -0.21 0.03 -0.04 1.64 1.48 2dc0A1 LEU 161 HG 0.05 0.02 0.02 -0.04 1.64 1.68 2dc0A1 LEU 161 HD13 0.04 -0.04 -0.07 -0.04 0.93 0.83 2dc0A1 LEU 161 HD23 0.03 0.01 -0.15 -0.04 0.89 0.75 2dc0A1 ALA 162 H 0.09 0.26 0.10 -0.55 8.40 8.30 2dc0A1 ALA 162 HA 0.06 0.20 0.58 -0.75 4.34 4.42 2dc0A1 ALA 162 HB3 0.06 -0.02 0.01 -0.04 1.41 1.43 2dc0A1 SER 163 H 0.04 0.58 0.40 -0.55 8.46 8.93 2dc0A1 SER 163 HA 0.00 0.26 0.86 -0.75 4.49 4.85 2dc0A1 SER 163 HB2 0.02 0.11 -0.26 -0.04 3.95 3.78 2dc0A1 SER 163 HB3 0.03 -0.01 -0.10 -0.04 3.93 3.81 2dc0A1 LEU 164 H -0.02 0.36 0.32 -0.55 8.37 8.48 2dc0A1 LEU 164 HA -0.02 0.22 0.99 -0.75 4.35 4.79 2dc0A1 LEU 164 HB2 -0.15 0.03 -0.01 -0.04 1.64 1.47 2dc0A1 LEU 164 HB3 -0.17 -0.06 0.23 -0.04 1.64 1.60 2dc0A1 LEU 164 HG -0.52 -0.01 -0.23 -0.04 1.64 0.84 2dc0A1 LEU 164 HD13 -0.17 0.04 -0.05 -0.04 0.93 0.71 2dc0A1 LEU 164 HD23 -0.82 -0.01 -0.14 -0.04 0.89 -0.12 2dc0A1 GLY 165 H 0.08 0.72 0.32 -0.55 8.43 9.01 2dc0A1 GLY 165 HA2 0.26 0.06 0.83 -0.51 4.01 4.64 2dc0A1 GLY 165 HA3 0.12 0.04 0.32 -0.51 4.01 3.98 2dc0A1 THR 166 H 0.10 0.17 0.12 -0.55 8.28 8.13 2dc0A1 THR 166 HA 0.14 0.35 1.07 -0.75 4.39 5.20 2dc0A1 THR 166 HB 0.05 -0.02 0.07 -0.04 4.32 4.39 2dc0A1 THR 166 HG23 -0.03 0.00 -0.22 -0.04 1.22 0.93 2dc0A1 ASP 167 H 0.11 0.68 0.23 -0.55 8.40 8.87 2dc0A1 ASP 167 HA 0.04 -0.16 0.76 -0.75 4.63 4.51 2dc0A1 ASP 167 HB2 0.00 0.07 -0.34 -0.04 2.71 2.40 2dc0A1 ASP 167 HB3 -0.04 0.20 -0.02 -0.04 2.70 2.80 2dc0A1 THR 168 H 0.07 -0.14 0.22 -0.55 8.28 7.89 2dc0A1 THR 168 HA 0.22 0.53 0.89 -0.75 4.39 5.28 2dc0A1 THR 168 HB 0.14 -0.04 0.07 -0.04 4.32 4.46 2dc0A1 THR 168 HG23 0.17 0.02 -0.18 -0.04 1.22 1.18 2dc0A1 GLY 169 H 0.08 -0.22 0.23 -0.55 8.43 7.97 2dc0A1 GLY 169 HA2 -0.17 0.30 0.80 -0.51 4.01 4.43 2dc0A1 GLY 169 HA3 -0.13 0.05 0.30 -0.51 4.01 3.71 2dc0A1 GLY 170 H -0.00 -0.27 0.13 -0.55 8.43 7.74 2dc0A1 GLY 170 HA2 -0.02 0.08 0.24 -0.51 4.01 3.80 2dc0A1 GLY 170 HA3 -0.03 0.34 0.83 -0.51 4.01 4.65 2dc0A1 SER 171 H 0.01 -0.31 0.28 -0.55 8.46 7.88 2dc0A1 SER 171 HA -0.04 0.57 0.54 -0.75 4.49 4.82 2dc0A1 SER 171 HB2 0.03 -0.17 0.24 -0.04 3.95 4.00 2dc0A1 SER 171 HB3 0.02 0.03 0.23 -0.04 3.93 4.17 2dc0A1 ILE 172 H -0.01 -0.17 -0.58 -0.55 8.25 6.94 2dc0A1 ILE 172 HA 0.02 0.19 0.75 -0.75 4.18 4.38 2dc0A1 ILE 172 HB -0.00 -0.11 -0.22 -0.04 1.89 1.52 2dc0A1 ILE 172 HG12 0.05 0.01 -0.33 -0.04 1.49 1.18 2dc0A1 ILE 172 HG13 0.04 0.26 -0.71 -0.04 1.21 0.76 2dc0A1 ILE 172 HG23 0.04 0.05 -0.49 -0.04 0.93 0.48 2dc0A1 ILE 172 HD13 0.04 0.04 -0.49 -0.04 0.88 0.44 2dc0A1 ARG 173 H -0.00 -0.06 -0.08 -0.55 8.46 7.77 2dc0A1 ARG 173 HA 0.04 0.09 0.35 -0.75 4.34 4.06 2dc0A1 ARG 173 HB2 0.02 -0.03 0.08 -0.04 1.90 1.92 2dc0A1 ARG 173 HB3 0.04 0.05 -0.07 -0.04 1.80 1.78 2dc0A1 ARG 173 HG2 0.03 0.09 -0.19 -0.04 1.67 1.57 2dc0A1 ARG 173 HG3 0.00 -0.14 -0.14 -0.04 1.67 1.35 2dc0A1 ARG 173 HD2 0.03 0.06 -0.16 -0.04 3.22 3.11 2dc0A1 ARG 173 HD3 -0.02 0.12 -0.19 -0.04 3.22 3.09 2dc0A1 ILE 174 H -0.04 0.63 0.03 -0.55 8.25 8.33 2dc0A1 ILE 174 HA -0.05 0.06 0.38 -0.75 4.18 3.81 2dc0A1 ILE 174 HB -0.17 0.14 0.07 -0.04 1.89 1.88 2dc0A1 ILE 174 HG12 0.00 0.13 0.13 -0.04 1.49 1.72 2dc0A1 ILE 174 HG13 -0.02 -0.13 0.15 -0.04 1.21 1.17 2dc0A1 ILE 174 HG23 -0.63 -0.01 -0.08 -0.04 0.93 0.17 2dc0A1 ILE 174 HD13 -0.03 -0.06 0.01 -0.04 0.88 0.76 2dc0A1 PRO 175 HA -0.15 0.23 0.42 -0.51 4.44 4.44 2dc0A1 PRO 175 HB2 -0.01 0.04 -0.23 -0.04 2.28 2.05 2dc0A1 PRO 175 HB3 -0.07 -0.01 -0.32 -0.04 2.02 1.58 2dc0A1 PRO 175 HG2 -0.01 0.19 -0.18 -0.04 2.03 1.99 2dc0A1 PRO 175 HG3 -0.03 -0.08 -0.28 -0.04 2.03 1.60 2dc0A1 PRO 175 HD2 -0.06 -0.09 -0.64 -0.04 3.68 2.84 2dc0A1 PRO 175 HD3 -0.14 0.25 -0.12 -0.04 3.65 3.60 2dc0A1 ALA 176 H 0.01 0.37 -0.50 -0.55 8.40 7.74 2dc0A1 ALA 176 HA 0.06 -0.01 0.21 -0.75 4.34 3.84 2dc0A1 ALA 176 HB3 0.06 0.07 -0.18 -0.04 1.41 1.32 2dc0A1 GLY 177 H 0.09 0.60 -0.19 -0.55 8.43 8.38 2dc0A1 GLY 177 HA2 0.14 -0.04 0.24 -0.51 4.01 3.84 2dc0A1 GLY 177 HA3 0.20 -0.03 0.24 -0.51 4.01 3.90 2dc0A1 PHE 178 H 0.37 0.59 -0.11 -0.55 8.34 8.63 2dc0A1 PHE 178 HA 0.02 -0.02 0.38 -0.75 4.62 4.25 2dc0A1 PHE 178 HB2 0.01 0.09 0.10 -0.04 3.15 3.30 2dc0A1 PHE 178 HB3 -0.00 0.06 -0.09 -0.04 3.06 2.99 2dc0A1 PHE 178 HD2 -0.00 0.06 -0.23 -0.04 7.28 7.07 2dc0A1 PHE 178 HE2 -0.04 -0.06 -0.03 -0.04 7.38 7.21 2dc0A1 PHE 178 HZ -1.19 -0.09 -0.03 -0.04 7.32 5.97 2dc0A1 ASN 179 H 0.15 0.44 -0.37 -0.55 8.53 8.21 2dc0A1 ASN 179 HA 0.06 0.09 0.85 -0.75 4.76 5.00 2dc0A1 ASN 179 HB2 0.06 0.09 -0.06 -0.04 2.88 2.94 2dc0A1 ASN 179 HB3 0.04 -0.05 0.03 -0.04 2.79 2.76 2dc0A1 ASN 179 HD21 0.09 0.16 0.10 -0.04 7.03 7.34 2dc0A1 ASN 179 HD22 0.08 0.25 0.03 -0.04 7.74 8.06 2dc0A1 GLY 180 H 0.09 0.35 -0.25 -0.55 8.43 8.07 2dc0A1 GLY 180 HA2 0.05 -0.07 0.28 -0.51 4.01 3.76 2dc0A1 GLY 180 HA3 0.03 0.03 0.47 -0.51 4.01 4.02 2dc0A1 VAL 181 H 0.06 0.40 0.02 -0.55 8.24 8.17 2dc0A1 VAL 181 HA 0.04 0.23 0.94 -0.75 4.13 4.59 2dc0A1 VAL 181 HB 0.04 0.12 0.13 -0.04 2.12 2.37 2dc0A1 VAL 181 HG13 0.03 0.03 -0.29 -0.04 0.97 0.70 2dc0A1 VAL 181 HG23 0.05 -0.03 -0.17 -0.04 0.95 0.76 2dc0A1 VAL 182 H 0.05 0.66 0.26 -0.55 8.24 8.67 2dc0A1 VAL 182 HA 0.07 0.32 0.85 -0.75 4.13 4.62 2dc0A1 VAL 182 HB 0.06 -0.12 -0.15 -0.04 2.12 1.87 2dc0A1 VAL 182 HG13 0.07 -0.01 -0.28 -0.04 0.97 0.71 2dc0A1 VAL 182 HG23 0.05 -0.03 -0.28 -0.04 0.95 0.64 2dc0A1 GLY 183 H 0.10 0.69 0.30 -0.55 8.43 8.98 2dc0A1 GLY 183 HA2 0.10 0.27 0.98 -0.51 4.01 4.85 2dc0A1 GLY 183 HA3 0.08 0.01 0.17 -0.51 4.01 3.76 2dc0A1 PHE 184 H 0.18 0.63 0.16 -0.55 8.34 8.76 2dc0A1 PHE 184 HA 0.02 0.23 1.20 -0.75 4.62 5.32 2dc0A1 PHE 184 HB2 0.04 -0.07 -0.14 -0.04 3.15 2.94 2dc0A1 PHE 184 HB3 0.03 0.01 0.08 -0.04 3.06 3.14 2dc0A1 PHE 184 HD2 0.03 0.03 -0.16 -0.04 7.28 7.13 2dc0A1 PHE 184 HE2 0.03 -0.02 -0.23 -0.04 7.38 7.11 2dc0A1 PHE 184 HZ 0.03 -0.13 -0.07 -0.04 7.32 7.11 2dc0A1 LYS 185 H -0.28 0.73 0.18 -0.55 8.42 8.50 2dc0A1 LYS 185 HA -0.25 0.16 0.74 -0.75 4.32 4.21 2dc0A1 LYS 185 HB2 -0.16 -0.18 -0.08 -0.04 1.87 1.41 2dc0A1 LYS 185 HB3 -0.23 0.03 0.18 -0.04 1.79 1.72 2dc0A1 LYS 185 HG2 -0.35 0.31 -0.27 -0.04 1.46 1.11 2dc0A1 LYS 185 HG3 -0.26 -0.10 -0.11 -0.04 1.46 0.95 2dc0A1 LYS 185 HD2 -1.13 0.08 -0.13 -0.04 1.69 0.47 2dc0A1 LYS 185 HD3 -0.29 -0.20 -0.18 -0.04 1.68 0.97 2dc0A1 LYS 185 HE2 -0.20 -0.09 -0.50 -0.04 2.99 2.16 2dc0A1 LYS 185 HE3 -0.20 -0.11 -0.09 -0.04 2.99 2.55 2dc0A1 PRO 186 HA -0.61 -0.05 0.39 -0.51 4.44 3.66 2dc0A1 PRO 186 HB2 -0.07 0.10 -0.01 -0.04 2.28 2.27 2dc0A1 PRO 186 HB3 0.01 -0.06 0.09 -0.04 2.02 2.02 2dc0A1 PRO 186 HG2 -0.03 0.07 0.08 -0.04 2.03 2.11 2dc0A1 PRO 186 HG3 -0.16 -0.03 -0.04 -0.04 2.03 1.76 2dc0A1 PRO 186 HD2 -0.13 0.23 0.15 -0.04 3.68 3.90 2dc0A1 PRO 186 HD3 -0.31 0.39 0.11 -0.04 3.65 3.81 2dc0A1 SER 187 H -0.04 -0.04 0.14 -0.55 8.46 7.97 2dc0A1 SER 187 HA -0.17 0.26 0.38 -0.75 4.49 4.20 2dc0A1 SER 187 HB2 -0.04 -0.02 0.13 -0.04 3.95 3.98 2dc0A1 SER 187 HB3 -0.33 0.13 0.18 -0.04 3.93 3.87 2dc0A1 TYR 188 H -0.03 0.57 0.31 -0.55 8.29 8.59 2dc0A1 TYR 188 HA -0.37 0.05 0.39 -0.75 4.56 3.88 2dc0A1 TYR 188 HB2 -0.04 0.06 0.19 -0.04 3.06 3.23 2dc0A1 TYR 188 HB3 0.07 -0.06 0.17 -0.04 2.98 3.12 2dc0A1 TYR 188 HD2 -0.30 0.02 -0.13 -0.04 7.15 6.70 2dc0A1 TYR 188 HE2 -0.05 -0.06 -0.13 -0.04 6.85 6.56 2dc0A1 GLY 189 H -0.73 0.17 0.19 -0.55 8.43 7.52 2dc0A1 GLY 189 HA2 -0.44 -0.02 0.32 -0.51 4.01 3.36 2dc0A1 GLY 189 HA3 -0.30 0.06 0.33 -0.51 4.01 3.59 2dc0A1 ARG 190 H -0.08 0.51 -0.48 -0.55 8.46 7.86 2dc0A1 ARG 190 HA -0.01 0.04 0.36 -0.75 4.34 3.98 2dc0A1 ARG 190 HB2 0.01 -0.01 0.06 -0.04 1.90 1.91 2dc0A1 ARG 190 HB3 -0.01 -0.01 0.04 -0.04 1.80 1.78 2dc0A1 ARG 190 HG2 0.02 0.04 -0.11 -0.04 1.67 1.57 2dc0A1 ARG 190 HG3 0.03 0.01 0.05 -0.04 1.67 1.72 2dc0A1 ARG 190 HD2 0.08 -0.04 -0.01 -0.04 3.22 3.21 2dc0A1 ARG 190 HD3 0.07 0.02 -0.05 -0.04 3.22 3.22 2dc0A1 VAL 191 H -0.06 0.10 -0.18 -0.55 8.24 7.55 2dc0A1 VAL 191 HA -0.03 0.26 0.75 -0.75 4.13 4.36 2dc0A1 VAL 191 HB -0.01 -0.01 0.07 -0.04 2.12 2.13 2dc0A1 VAL 191 HG13 -0.03 0.04 -0.19 -0.04 0.97 0.76 2dc0A1 VAL 191 HG23 -0.01 -0.01 -0.18 -0.04 0.95 0.71 2dc0A1 SER 192 H -0.03 0.26 0.10 -0.55 8.46 8.25 2dc0A1 SER 192 HA -0.05 0.08 0.40 -0.75 4.49 4.18 2dc0A1 SER 192 HB2 -0.02 0.15 0.12 -0.04 3.95 4.16 2dc0A1 SER 192 HB3 -0.01 0.02 0.10 -0.04 3.93 3.99 2dc0A1 LEU 193 H -0.03 0.18 0.17 -0.55 8.37 8.14 2dc0A1 LEU 193 HA 0.15 0.18 0.76 -0.75 4.35 4.68 2dc0A1 LEU 193 HB2 -0.04 0.03 0.06 -0.04 1.64 1.65 2dc0A1 LEU 193 HB3 -0.01 -0.00 0.08 -0.04 1.64 1.67 2dc0A1 LEU 193 HG 0.02 0.10 -0.23 -0.04 1.64 1.49 2dc0A1 LEU 193 HD13 -0.04 -0.02 -0.31 -0.04 0.93 0.52 2dc0A1 LEU 193 HD23 0.11 0.01 -0.17 -0.04 0.89 0.80 2dc0A1 GLU 194 H 0.02 0.04 -0.15 -0.55 8.60 7.96 2dc0A1 GLU 194 HA 0.01 0.11 0.52 -0.75 4.29 4.17 2dc0A1 GLU 194 HB2 0.00 0.04 0.13 -0.04 2.09 2.22 2dc0A1 GLU 194 HB3 0.01 -0.06 0.13 -0.04 1.99 2.03 2dc0A1 GLU 194 HG2 0.01 0.03 -0.15 -0.04 2.34 2.19 2dc0A1 GLU 194 HG3 0.00 0.03 0.07 -0.04 2.34 2.40 2dc0A1 GLY 195 H 0.01 0.21 0.22 -0.55 8.43 8.32 2dc0A1 GLY 195 HA2 0.01 0.05 0.37 -0.51 4.01 3.93 2dc0A1 GLY 195 HA3 0.03 0.03 0.54 -0.51 4.01 4.10 2dc0A1 ALA 196 H 0.02 0.30 -0.40 -0.55 8.40 7.78 2dc0A1 ALA 196 HA -0.04 0.22 0.88 -0.75 4.34 4.64 2dc0A1 ALA 196 HB3 -0.17 -0.00 -0.09 -0.04 1.41 1.10 2dc0A1 LEU 197 H -0.14 0.56 0.22 -0.55 8.37 8.46 2dc0A1 LEU 197 HA -0.05 0.10 0.44 -0.75 4.35 4.08 2dc0A1 LEU 197 HB2 -0.03 0.02 0.10 -0.04 1.64 1.70 2dc0A1 LEU 197 HB3 -0.07 -0.11 0.17 -0.04 1.64 1.59 2dc0A1 LEU 197 HG 0.03 0.15 -0.30 -0.04 1.64 1.48 2dc0A1 LEU 197 HD13 -0.00 0.00 0.02 -0.04 0.93 0.91 2dc0A1 LEU 197 HD23 0.11 -0.03 -0.03 -0.04 0.89 0.90 2dc0A1 PRO 198 HA -0.04 0.05 0.56 -0.51 4.44 4.50 2dc0A1 PRO 198 HB2 -0.02 -0.12 -0.13 -0.04 2.28 1.98 2dc0A1 PRO 198 HB3 -0.03 0.04 0.01 -0.04 2.02 2.01 2dc0A1 PRO 198 HG2 -0.07 0.03 0.03 -0.04 2.03 1.98 2dc0A1 PRO 198 HG3 -0.05 0.00 0.05 -0.04 2.03 2.00 2dc0A1 PRO 198 HD2 -0.07 0.07 0.23 -0.04 3.68 3.88 2dc0A1 PRO 198 HD3 -0.05 0.39 0.29 -0.04 3.65 4.23 2dc0A1 LEU 199 H 0.01 -0.04 -0.02 -0.55 8.37 7.78 2dc0A1 LEU 199 HA 0.06 0.28 0.79 -0.75 4.35 4.73 2dc0A1 LEU 199 HB2 0.04 0.14 -0.04 -0.04 1.64 1.74 2dc0A1 LEU 199 HB3 0.04 -0.22 0.13 -0.04 1.64 1.55 2dc0A1 LEU 199 HG 0.02 -0.05 -0.21 -0.04 1.64 1.36 2dc0A1 LEU 199 HD13 0.04 0.06 -0.03 -0.04 0.93 0.96 2dc0A1 LEU 199 HD23 0.05 -0.01 -0.07 -0.04 0.89 0.81 2dc0A1 SER 200 H 0.04 0.14 0.06 -0.55 8.46 8.15 2dc0A1 SER 200 HA 0.01 0.22 0.79 -0.75 4.49 4.75 2dc0A1 SER 200 HB2 -0.01 0.11 0.00 -0.04 3.95 4.01 2dc0A1 SER 200 HB3 0.05 -0.02 0.12 -0.04 3.93 4.04 2dc0A1 ARG 201 H 0.02 0.28 0.01 -0.55 8.46 8.22 2dc0A1 ARG 201 HA 0.06 0.07 0.39 -0.75 4.34 4.11 2dc0A1 ARG 201 HB2 0.05 -0.01 0.09 -0.04 1.90 1.99 2dc0A1 ARG 201 HB3 0.06 0.06 0.02 -0.04 1.80 1.90 2dc0A1 ARG 201 HG2 0.01 0.04 0.03 -0.04 1.67 1.70 2dc0A1 ARG 201 HG3 -0.00 -0.01 -0.01 -0.04 1.67 1.61 2dc0A1 ARG 201 HD2 -0.01 0.06 0.00 -0.04 3.22 3.23 2dc0A1 ARG 201 HD3 0.00 0.00 0.01 -0.04 3.22 3.19 2dc0A1 SER 202 H 0.08 0.04 -0.24 -0.55 8.46 7.79 2dc0A1 SER 202 HA 0.07 0.21 0.69 -0.75 4.49 4.70 2dc0A1 SER 202 HB2 -0.07 0.07 0.15 -0.04 3.95 4.05 2dc0A1 SER 202 HB3 0.05 -0.05 0.04 -0.04 3.93 3.93 2dc0A1 THR 203 H 0.12 0.19 -0.31 -0.55 8.28 7.73 2dc0A1 THR 203 HA 0.08 0.34 0.91 -0.75 4.39 4.97 2dc0A1 THR 203 HB 0.10 -0.14 -0.01 -0.04 4.32 4.23 2dc0A1 THR 203 HG23 0.23 0.03 0.00 -0.04 1.22 1.45 2dc0A1 ASP 204 H 0.16 0.33 0.20 -0.55 8.40 8.54 2dc0A1 ASP 204 HA 0.18 -0.05 0.45 -0.75 4.63 4.46 2dc0A1 ASP 204 HB2 0.06 0.05 0.05 -0.04 2.71 2.83 2dc0A1 ASP 204 HB3 0.05 0.01 -0.07 -0.04 2.70 2.65 2dc0A1 HIS 205 H 0.20 0.05 0.19 -0.55 8.41 8.31 2dc0A1 HIS 205 HA -0.02 0.12 0.81 -0.75 4.63 4.78 2dc0A1 HIS 205 HB2 0.02 -0.03 0.14 -0.04 3.26 3.34 2dc0A1 HIS 205 HB3 -0.03 0.07 -0.07 -0.04 3.20 3.12 2dc0A1 HIS 205 HD2 -0.04 0.29 -0.29 -0.04 6.97 6.88 2dc0A1 HIS 205 HE1 0.14 0.35 0.13 -0.04 7.75 8.32 2dc0A1 ALA 206 H 0.05 0.23 0.15 -0.55 8.40 8.28 2dc0A1 ALA 206 HA 0.21 0.19 0.94 -0.75 4.34 4.93 2dc0A1 ALA 206 HB3 0.14 -0.01 -0.05 -0.04 1.41 1.46 2dc0A1 GLY 207 H 0.10 0.58 0.29 -0.55 8.43 8.85 2dc0A1 GLY 207 HA2 0.02 0.08 0.61 -0.51 4.01 4.21 2dc0A1 GLY 207 HA3 0.01 0.22 0.34 -0.51 4.01 4.07 2dc0A1 PRO 208 HA 0.04 0.27 0.94 -0.51 4.44 5.17 2dc0A1 PRO 208 HB2 0.07 0.00 -0.06 -0.04 2.28 2.24 2dc0A1 PRO 208 HB3 0.03 0.01 0.01 -0.04 2.02 2.02 2dc0A1 PRO 208 HG2 0.18 -0.08 0.07 -0.04 2.03 2.16 2dc0A1 PRO 208 HG3 0.13 0.09 0.06 -0.04 2.03 2.27 2dc0A1 PRO 208 HD2 0.16 0.29 0.30 -0.04 3.68 4.38 2dc0A1 PRO 208 HD3 0.08 0.10 0.14 -0.04 3.65 3.93 2dc0A1 LEU 209 H 0.05 0.64 0.37 -0.55 8.37 8.88 2dc0A1 LEU 209 HA 0.07 0.31 0.91 -0.75 4.35 4.89 2dc0A1 LEU 209 HB2 0.04 -0.10 0.02 -0.04 1.64 1.57 2dc0A1 LEU 209 HB3 0.05 0.09 -0.10 -0.04 1.64 1.64 2dc0A1 LEU 209 HG 0.06 -0.03 -0.33 -0.04 1.64 1.30 2dc0A1 LEU 209 HD13 0.05 -0.03 -0.26 -0.04 0.93 0.64 2dc0A1 LEU 209 HD23 0.05 0.06 -0.11 -0.04 0.89 0.85 2dc0A1 THR 210 H 0.07 0.70 0.27 -0.55 8.28 8.77 2dc0A1 THR 210 HA 0.06 0.26 0.99 -0.75 4.39 4.94 2dc0A1 THR 210 HB 0.07 -0.25 0.21 -0.04 4.32 4.31 2dc0A1 THR 210 HG23 0.08 -0.01 -0.41 -0.04 1.22 0.84 2dc0A1 ARG 211 H 0.05 0.09 0.27 -0.55 8.46 8.31 2dc0A1 ARG 211 HA 0.03 0.26 0.81 -0.75 4.34 4.69 2dc0A1 ARG 211 HB2 0.03 -0.19 0.14 -0.04 1.90 1.85 2dc0A1 ARG 211 HB3 0.02 0.05 0.13 -0.04 1.80 1.96 2dc0A1 ARG 211 HG2 0.02 0.13 -0.03 -0.04 1.67 1.76 2dc0A1 ARG 211 HG3 0.04 -0.04 0.01 -0.04 1.67 1.63 2dc0A1 ARG 211 HD2 0.02 0.13 0.09 -0.04 3.22 3.42 2dc0A1 ARG 211 HD3 0.03 -0.01 0.13 -0.04 3.22 3.33 2dc0A1 SER 212 H 0.05 0.05 0.05 -0.55 8.46 8.06 2dc0A1 SER 212 HA 0.03 0.34 0.65 -0.75 4.49 4.76 2dc0A1 SER 212 HB2 0.02 -0.03 0.12 -0.04 3.95 4.03 2dc0A1 SER 212 HB3 0.02 0.25 -0.15 -0.04 3.93 4.01 2dc0A1 VAL 213 H 0.02 0.31 0.12 -0.55 8.24 8.14 2dc0A1 VAL 213 HA 0.02 0.13 0.42 -0.75 4.13 3.94 2dc0A1 VAL 213 HB 0.01 0.02 0.03 -0.04 2.12 2.15 2dc0A1 VAL 213 HG13 -0.02 0.00 -0.12 -0.04 0.97 0.79 2dc0A1 VAL 213 HG23 0.03 0.06 -0.15 -0.04 0.95 0.85 2dc0A1 ARG 214 H 0.03 0.14 -0.08 -0.55 8.46 8.00 2dc0A1 ARG 214 HA 0.07 0.15 0.38 -0.75 4.34 4.19 2dc0A1 ARG 214 HB2 0.03 0.06 0.04 -0.04 1.90 1.98 2dc0A1 ARG 214 HB3 0.01 0.09 0.07 -0.04 1.80 1.94 2dc0A1 ARG 214 HG2 0.01 -0.05 0.01 -0.04 1.67 1.60 2dc0A1 ARG 214 HG3 0.01 -0.05 -0.19 -0.04 1.67 1.40 2dc0A1 ARG 214 HD2 -0.03 0.05 -0.05 -0.04 3.22 3.14 2dc0A1 ARG 214 HD3 -0.01 0.09 -0.02 -0.04 3.22 3.24 2dc0A1 ASP 215 H 0.06 0.08 -0.42 -0.55 8.40 7.58 2dc0A1 ASP 215 HA 0.18 0.07 0.48 -0.75 4.63 4.60 2dc0A1 ASP 215 HB2 0.07 0.06 0.16 -0.04 2.71 2.96 2dc0A1 ASP 215 HB3 0.11 0.11 0.01 -0.04 2.70 2.88 2dc0A1 ALA 216 H 0.07 0.33 -0.21 -0.55 8.40 8.05 2dc0A1 ALA 216 HA 0.09 0.04 0.30 -0.75 4.34 4.01 2dc0A1 ALA 216 HB3 0.03 0.05 0.00 -0.04 1.41 1.45 2dc0A1 HIS 217 H 0.12 0.47 -0.19 -0.55 8.41 8.26 2dc0A1 HIS 217 HA -0.06 0.05 0.42 -0.75 4.63 4.28 2dc0A1 HIS 217 HB2 -0.07 0.00 0.04 -0.04 3.26 3.19 2dc0A1 HIS 217 HB3 0.02 0.05 0.12 -0.04 3.20 3.34 2dc0A1 HIS 217 HD2 -0.03 -0.04 -0.03 -0.04 6.97 6.83 2dc0A1 HIS 217 HE1 0.06 -0.04 -0.05 -0.04 7.75 7.67 2dc0A1 PHE 218 H 0.24 0.46 -0.16 -0.55 8.34 8.32 2dc0A1 PHE 218 HA -0.18 0.02 0.38 -0.75 4.62 4.08 2dc0A1 PHE 218 HB2 0.03 0.06 0.14 -0.04 3.15 3.34 2dc0A1 PHE 218 HB3 0.01 0.01 0.21 -0.04 3.06 3.25 2dc0A1 PHE 218 HD2 -0.01 -0.04 -0.03 -0.04 7.28 7.17 2dc0A1 PHE 218 HE2 0.01 0.02 -0.09 -0.04 7.38 7.28 2dc0A1 PHE 218 HZ 0.01 0.17 -0.08 -0.04 7.32 7.38 2dc0A1 LEU 219 H 0.06 0.68 -0.12 -0.55 8.37 8.45 2dc0A1 LEU 219 HA -0.31 0.03 0.41 -0.75 4.35 3.73 2dc0A1 LEU 219 HB2 0.03 0.09 0.08 -0.04 1.64 1.81 2dc0A1 LEU 219 HB3 0.01 0.06 -0.00 -0.04 1.64 1.66 2dc0A1 LEU 219 HG -0.05 -0.01 -0.09 -0.04 1.64 1.44 2dc0A1 LEU 219 HD13 -0.10 -0.01 -0.06 -0.04 0.93 0.72 2dc0A1 LEU 219 HD23 0.03 -0.02 -0.09 -0.04 0.89 0.77 2dc0A1 THR 220 H -0.02 0.49 -0.25 -0.55 8.28 7.95 2dc0A1 THR 220 HA 0.02 0.01 0.41 -0.75 4.39 4.08 2dc0A1 THR 220 HB 0.05 0.07 0.14 -0.04 4.32 4.53 2dc0A1 THR 220 HG23 0.22 -0.02 -0.09 -0.04 1.22 1.29 2dc0A1 GLU 221 H -0.19 0.51 -0.21 -0.55 8.60 8.16 2dc0A1 GLU 221 HA -0.07 0.14 0.46 -0.75 4.29 4.06 2dc0A1 GLU 221 HB2 -0.21 0.13 0.14 -0.04 2.09 2.11 2dc0A1 GLU 221 HB3 -0.10 -0.03 -0.02 -0.04 1.99 1.80 2dc0A1 GLU 221 HG2 -0.12 -0.04 0.11 -0.04 2.34 2.25 2dc0A1 GLU 221 HG3 -0.55 0.26 0.09 -0.04 2.34 2.10 2dc0A1 ILE 222 H -0.23 0.33 -0.22 -0.55 8.25 7.58 2dc0A1 ILE 222 HA -0.13 0.03 0.39 -0.75 4.18 3.72 2dc0A1 ILE 222 HB -0.24 0.09 0.10 -0.04 1.89 1.79 2dc0A1 ILE 222 HG12 -0.53 0.25 0.09 -0.04 1.49 1.26 2dc0A1 ILE 222 HG13 -0.53 -0.07 -0.05 -0.04 1.21 0.52 2dc0A1 ILE 222 HG23 -0.13 -0.02 -0.17 -0.04 0.93 0.57 2dc0A1 ILE 222 HD13 -0.18 -0.02 -0.04 -0.04 0.88 0.60 2dc0A1 LEU 223 H -0.10 0.61 -0.10 -0.55 8.37 8.23 2dc0A1 LEU 223 HA -0.08 0.01 0.41 -0.75 4.35 3.93 2dc0A1 LEU 223 HB2 -0.04 0.06 0.12 -0.04 1.64 1.74 2dc0A1 LEU 223 HB3 -0.05 -0.08 -0.03 -0.04 1.64 1.43 2dc0A1 LEU 223 HG -0.09 0.09 -0.01 -0.04 1.64 1.58 2dc0A1 LEU 223 HD13 -0.04 -0.03 -0.19 -0.04 0.93 0.63 2dc0A1 LEU 223 HD23 -0.12 -0.02 -0.05 -0.04 0.89 0.66 2dc0A1 ALA 224 H -0.04 0.53 -0.22 -0.55 8.40 8.13 2dc0A1 ALA 224 HA -0.02 0.14 0.67 -0.75 4.34 4.38 2dc0A1 ALA 224 HB3 0.00 -0.03 0.04 -0.04 1.41 1.38 2dc0A1 GLY 225 H -0.05 0.30 -0.32 -0.55 8.43 7.82 2dc0A1 GLY 225 HA2 -0.04 0.01 0.32 -0.51 4.01 3.79 2dc0A1 GLY 225 HA3 -0.02 0.00 0.47 -0.51 4.01 3.96 2dc0A1 GLU 226 H -0.02 0.44 0.03 -0.55 8.60 8.50 2dc0A1 GLU 226 HA 0.00 0.05 0.62 -0.75 4.29 4.20 2dc0A1 GLU 226 HB2 0.02 -0.05 0.07 -0.04 2.09 2.09 2dc0A1 GLU 226 HB3 0.01 0.12 -0.21 -0.04 1.99 1.87 2dc0A1 GLU 226 HG2 0.01 -0.02 -0.21 -0.04 2.34 2.08 2dc0A1 GLU 226 HG3 0.02 -0.00 -0.31 -0.04 2.34 2.01 2dc0A1 SER 227 H 0.02 0.10 0.12 -0.55 8.46 8.16 2dc0A1 SER 227 HA 0.01 0.09 0.59 -0.75 4.49 4.43 2dc0A1 SER 227 HB2 0.06 -0.01 -0.01 -0.04 3.95 3.94 2dc0A1 SER 227 HB3 0.03 0.02 0.05 -0.04 3.93 3.99 2dc0A1 ILE 228 H 0.10 0.18 0.06 -0.55 8.25 8.03 2dc0A1 ILE 228 HA 0.09 0.20 0.85 -0.75 4.18 4.57 2dc0A1 ILE 228 HB 0.23 -0.01 0.11 -0.04 1.89 2.17 2dc0A1 ILE 228 HG12 0.08 0.02 -0.14 -0.04 1.49 1.41 2dc0A1 ILE 228 HG13 0.04 0.07 -0.50 -0.04 1.21 0.77 2dc0A1 ILE 228 HG23 0.14 0.00 -0.13 -0.04 0.93 0.90 2dc0A1 ILE 228 HD13 0.07 -0.01 -0.17 -0.04 0.88 0.74 2dc0A1 PRO 229 HA 0.05 0.01 0.38 -0.51 4.44 4.37 2dc0A1 PRO 229 HB2 0.03 -0.01 0.01 -0.04 2.28 2.26 2dc0A1 PRO 229 HB3 0.02 0.03 -0.00 -0.04 2.02 2.04 2dc0A1 PRO 229 HG2 0.03 0.05 0.03 -0.04 2.03 2.10 2dc0A1 PRO 229 HG3 0.04 0.03 -0.02 -0.04 2.03 2.04 2dc0A1 PRO 229 HD2 0.06 0.07 0.17 -0.04 3.68 3.93 2dc0A1 PRO 229 HD3 0.06 0.30 -0.07 -0.04 3.65 3.90 2dc0A1 LEU 230 H -0.02 0.15 0.09 -0.55 8.37 8.05 2dc0A1 LEU 230 HA -0.07 0.19 0.89 -0.75 4.35 4.61 2dc0A1 LEU 230 HB2 -0.12 -0.05 0.17 -0.04 1.64 1.59 2dc0A1 LEU 230 HB3 -0.12 0.05 -0.00 -0.04 1.64 1.53 2dc0A1 LEU 230 HG -0.56 0.11 -0.10 -0.04 1.64 1.05 2dc0A1 LEU 230 HD13 -0.55 -0.02 -0.05 -0.04 0.93 0.27 2dc0A1 LEU 230 HD23 -0.27 0.01 -0.05 -0.04 0.89 0.54 2dc0A1 GLU 231 H -0.03 0.15 -0.05 -0.55 8.60 8.13 2dc0A1 GLU 231 HA -0.01 0.04 0.53 -0.75 4.29 4.09 2dc0A1 GLU 231 HB2 -0.03 0.03 0.02 -0.04 2.09 2.07 2dc0A1 GLU 231 HB3 -0.02 0.05 0.05 -0.04 1.99 2.03 2dc0A1 GLU 231 HG2 -0.01 -0.04 -0.12 -0.04 2.34 2.14 2dc0A1 GLU 231 HG3 -0.01 0.02 -0.03 -0.04 2.34 2.28 2dc0A1 GLY 232 H -0.01 0.04 0.13 -0.55 8.43 8.04 2dc0A1 GLY 232 HA2 0.01 0.07 0.37 -0.51 4.01 3.95 2dc0A1 GLY 232 HA3 0.00 0.01 0.29 -0.51 4.01 3.80 2dc0A1 VAL 233 H 0.04 0.17 0.14 -0.55 8.24 8.05 2dc0A1 VAL 233 HA -0.13 0.18 0.91 -0.75 4.13 4.34 2dc0A1 VAL 233 HB 0.07 -0.01 0.09 -0.04 2.12 2.23 2dc0A1 VAL 233 HG13 -0.74 0.00 -0.18 -0.04 0.97 0.01 2dc0A1 VAL 233 HG23 -0.02 0.03 -0.24 -0.04 0.95 0.68 2dc0A1 GLN 234 H -0.19 0.27 0.01 -0.55 8.47 8.02 2dc0A1 GLN 234 HA -0.06 0.14 0.74 -0.75 4.36 4.43 2dc0A1 GLN 234 HB2 -0.02 0.03 -0.15 -0.04 2.15 1.97 2dc0A1 GLN 234 HB3 -0.06 -0.03 -0.03 -0.04 2.02 1.85 2dc0A1 GLN 234 HG2 -0.05 0.06 -0.36 -0.04 2.40 2.01 2dc0A1 GLN 234 HG3 -0.01 0.01 -0.00 -0.04 2.39 2.35 2dc0A1 GLN 234 HE21 -0.01 -0.04 -0.03 -0.04 6.97 6.85 2dc0A1 GLN 234 HE22 -0.00 0.03 -0.03 -0.04 7.69 7.65 2dc0A1 ASN 235 H -0.10 0.22 0.15 -0.55 8.53 8.26 2dc0A1 ASN 235 HA -0.13 0.38 0.45 -0.75 4.76 4.71 2dc0A1 ASN 235 HB2 -0.10 0.08 -0.14 -0.04 2.88 2.68 2dc0A1 ASN 235 HB3 -0.09 -0.03 0.13 -0.04 2.79 2.76 2dc0A1 ASN 235 HD21 -0.01 -0.03 -0.03 -0.04 7.03 6.92 2dc0A1 ASN 235 HD22 -0.04 -0.02 -0.09 -0.04 7.74 7.55 2dc0A1 PRO 236 HA -0.48 0.02 0.42 -0.51 4.44 3.89 2dc0A1 PRO 236 HB2 -1.35 0.03 -0.10 -0.04 2.28 0.82 2dc0A1 PRO 236 HB3 -0.80 -0.02 -0.00 -0.04 2.02 1.16 2dc0A1 PRO 236 HG2 -0.70 -0.02 0.04 -0.04 2.03 1.30 2dc0A1 PRO 236 HG3 -2.07 0.07 -0.05 -0.04 2.03 -0.07 2dc0A1 PRO 236 HD2 -0.47 0.35 0.23 -0.04 3.68 3.74 2dc0A1 PRO 236 HD3 -0.81 -0.01 -0.12 -0.04 3.65 2.67 2dc0A1 VAL 237 H -0.47 0.11 0.23 -0.55 8.24 7.56 2dc0A1 VAL 237 HA -0.23 0.20 0.98 -0.75 4.13 4.33 2dc0A1 VAL 237 HB -0.18 -0.14 0.27 -0.04 2.12 2.02 2dc0A1 VAL 237 HG13 -0.07 0.02 -0.11 -0.04 0.97 0.77 2dc0A1 VAL 237 HG23 -0.14 0.04 -0.02 -0.04 0.95 0.79 2dc0A1 PHE 238 H -0.01 0.79 0.31 -0.55 8.34 8.88 2dc0A1 PHE 238 HA -0.04 0.22 1.04 -0.75 4.62 5.09 2dc0A1 PHE 238 HB2 -0.03 0.02 0.10 -0.04 3.15 3.20 2dc0A1 PHE 238 HB3 -0.01 0.02 -0.08 -0.04 3.06 2.95 2dc0A1 PHE 238 HD2 -0.04 0.07 -0.18 -0.04 7.28 7.09 2dc0A1 PHE 238 HE2 -0.10 0.01 -0.16 -0.04 7.38 7.09 2dc0A1 PHE 238 HZ -0.08 0.02 -0.12 -0.04 7.32 7.09 2dc0A1 GLY 239 H 0.12 0.75 0.46 -0.55 8.43 9.21 2dc0A1 GLY 239 HA2 0.06 0.33 0.93 -0.51 4.01 4.83 2dc0A1 GLY 239 HA3 0.06 0.05 0.30 -0.51 4.01 3.91 2dc0A1 VAL 240 H 0.08 0.60 0.37 -0.55 8.24 8.74 2dc0A1 VAL 240 HA 0.15 0.36 1.03 -0.75 4.13 4.92 2dc0A1 VAL 240 HB 0.09 -0.09 0.10 -0.04 2.12 2.17 2dc0A1 VAL 240 HG13 0.27 -0.01 -0.12 -0.04 0.97 1.07 2dc0A1 VAL 240 HG23 0.07 0.04 -0.20 -0.04 0.95 0.82 2dc0A1 PRO 241 HA 0.10 0.37 0.66 -0.51 4.44 5.06 2dc0A1 PRO 241 HB2 0.18 -0.08 0.14 -0.04 2.28 2.47 2dc0A1 PRO 241 HB3 0.08 0.07 -0.07 -0.04 2.02 2.06 2dc0A1 PRO 241 HG2 0.21 -0.01 0.07 -0.04 2.03 2.27 2dc0A1 PRO 241 HG3 0.11 0.09 -0.01 -0.04 2.03 2.18 2dc0A1 PRO 241 HD2 0.14 0.36 0.25 -0.04 3.68 4.39 2dc0A1 PRO 241 HD3 0.09 0.18 0.02 -0.04 3.65 3.90 2dc0A1 LEU 242 H 0.10 0.46 0.15 -0.55 8.37 8.53 2dc0A1 LEU 242 HA 0.12 0.08 0.31 -0.75 4.35 4.10 2dc0A1 LEU 242 HB2 0.07 -0.01 0.14 -0.04 1.64 1.80 2dc0A1 LEU 242 HB3 0.07 -0.01 0.00 -0.04 1.64 1.66 2dc0A1 LEU 242 HG 0.09 0.13 0.06 -0.04 1.64 1.88 2dc0A1 LEU 242 HD13 0.05 0.00 0.02 -0.04 0.93 0.96 2dc0A1 LEU 242 HD23 0.13 0.00 -0.06 -0.04 0.89 0.93 2dc0A1 ASP 243 H 0.09 0.15 -0.08 -0.55 8.40 8.01 2dc0A1 ASP 243 HA 0.04 0.08 0.41 -0.75 4.63 4.41 2dc0A1 ASP 243 HB2 0.05 0.05 0.02 -0.04 2.71 2.79 2dc0A1 ASP 243 HB3 0.05 0.01 0.08 -0.04 2.70 2.80 2dc0A1 PHE 244 H 0.22 0.05 -0.29 -0.55 8.34 7.76 2dc0A1 PHE 244 HA 0.00 0.09 0.38 -0.75 4.62 4.34 2dc0A1 PHE 244 HB2 0.03 0.19 0.11 -0.04 3.15 3.43 2dc0A1 PHE 244 HB3 0.04 0.11 0.11 -0.04 3.06 3.28 2dc0A1 PHE 244 HD2 0.02 0.08 -0.07 -0.04 7.28 7.27 2dc0A1 PHE 244 HE2 -0.00 -0.02 -0.03 -0.04 7.38 7.28 2dc0A1 PHE 244 HZ -0.08 0.27 -0.02 -0.04 7.32 7.46 2dc0A1 LEU 245 H 0.11 0.32 -0.23 -0.55 8.37 8.03 2dc0A1 LEU 245 HA -0.21 0.11 0.46 -0.75 4.35 3.96 2dc0A1 LEU 245 HB2 0.06 0.02 0.02 -0.04 1.64 1.70 2dc0A1 LEU 245 HB3 -0.03 -0.13 -0.00 -0.04 1.64 1.44 2dc0A1 LEU 245 HG 0.19 0.12 -0.05 -0.04 1.64 1.86 2dc0A1 LEU 245 HD13 -0.02 -0.02 -0.07 -0.04 0.93 0.78 2dc0A1 LEU 245 HD23 -0.02 0.01 -0.08 -0.04 0.89 0.75 2dc0A1 GLU 246 H -0.02 0.36 -0.31 -0.55 8.60 8.08 2dc0A1 GLU 246 HA -0.02 -0.12 0.39 -0.75 4.29 3.79 2dc0A1 GLU 246 HB2 0.00 0.03 0.16 -0.04 2.09 2.25 2dc0A1 GLU 246 HB3 -0.03 0.15 0.16 -0.04 1.99 2.22 2dc0A1 GLU 246 HG2 -0.03 -0.01 -0.17 -0.04 2.34 2.10 2dc0A1 GLU 246 HG3 -0.01 -0.06 0.01 -0.04 2.34 2.24 2dc0A1 GLY 247 H -0.04 0.07 0.21 -0.55 8.43 8.13 2dc0A1 GLY 247 HA2 -0.05 -0.08 0.33 -0.51 4.01 3.70 2dc0A1 GLY 247 HA3 -0.06 0.10 0.41 -0.51 4.01 3.94 2dc0A1 ARG 248 H -0.12 0.72 -0.29 -0.55 8.46 8.21 2dc0A1 ARG 248 HA -0.15 0.15 0.90 -0.75 4.34 4.48 2dc0A1 ARG 248 HB2 -0.24 0.09 0.00 -0.04 1.90 1.71 2dc0A1 ARG 248 HB3 -0.23 -0.06 0.12 -0.04 1.80 1.59 2dc0A1 ARG 248 HG2 -0.20 -0.07 -0.18 -0.04 1.67 1.18 2dc0A1 ARG 248 HG3 -0.25 0.23 -0.22 -0.04 1.67 1.39 2dc0A1 ARG 248 HD2 -0.59 0.13 -0.03 -0.04 3.22 2.69 2dc0A1 ARG 248 HD3 -0.29 -0.10 -0.02 -0.04 3.22 2.77 2dc0A1 LEU 249 H -0.08 0.04 -0.06 -0.55 8.37 7.73 2dc0A1 LEU 249 HA -0.11 0.22 0.99 -0.75 4.35 4.71 2dc0A1 LEU 249 HB2 -0.03 -0.08 0.03 -0.04 1.64 1.51 2dc0A1 LEU 249 HB3 -0.03 0.02 0.06 -0.04 1.64 1.65 2dc0A1 LEU 249 HG -0.09 0.03 -0.14 -0.04 1.64 1.41 2dc0A1 LEU 249 HD13 -0.06 -0.01 -0.07 -0.04 0.93 0.75 2dc0A1 LEU 249 HD23 -0.11 0.06 -0.10 -0.04 0.89 0.70 2dc0A1 GLY 250 H -0.07 0.58 0.37 -0.55 8.43 8.77 2dc0A1 GLY 250 HA2 -0.06 0.02 0.76 -0.51 4.01 4.23 2dc0A1 GLY 250 HA3 -0.05 0.16 0.45 -0.51 4.01 4.06 2dc0A1 VAL 251 H -0.02 0.22 0.12 -0.55 8.24 8.01 2dc0A1 VAL 251 HA 0.00 0.08 0.36 -0.75 4.13 3.82 2dc0A1 VAL 251 HB -0.01 -0.01 0.11 -0.04 2.12 2.17 2dc0A1 VAL 251 HG13 0.00 0.01 -0.10 -0.04 0.97 0.84 2dc0A1 VAL 251 HG23 -0.01 0.02 0.06 -0.04 0.95 0.99 2dc0A1 GLU 252 H -0.01 0.12 -0.15 -0.55 8.60 8.02 2dc0A1 GLU 252 HA 0.01 0.11 0.50 -0.75 4.29 4.16 2dc0A1 GLU 252 HB2 -0.01 0.03 0.06 -0.04 2.09 2.13 2dc0A1 GLU 252 HB3 -0.01 0.05 0.01 -0.04 1.99 2.00 2dc0A1 GLU 252 HG2 -0.01 -0.03 0.04 -0.04 2.34 2.30 2dc0A1 GLU 252 HG3 -0.01 0.03 0.03 -0.04 2.34 2.35 2dc0A1 VAL 253 H 0.01 0.20 -0.12 -0.55 8.24 7.77 2dc0A1 VAL 253 HA 0.05 0.07 0.46 -0.75 4.13 3.96 2dc0A1 VAL 253 HB 0.01 0.09 0.16 -0.04 2.12 2.34 2dc0A1 VAL 253 HG13 0.11 0.06 -0.06 -0.04 0.97 1.03 2dc0A1 VAL 253 HG23 0.01 -0.03 -0.28 -0.04 0.95 0.61 2dc0A1 ARG 254 H 0.04 0.52 -0.20 -0.55 8.46 8.27 2dc0A1 ARG 254 HA 0.14 0.04 0.35 -0.75 4.34 4.11 2dc0A1 ARG 254 HB2 0.03 -0.00 -0.04 -0.04 1.90 1.85 2dc0A1 ARG 254 HB3 0.04 0.19 0.11 -0.04 1.80 2.10 2dc0A1 ARG 254 HG2 0.04 -0.00 -0.09 -0.04 1.67 1.59 2dc0A1 ARG 254 HG3 0.09 -0.03 -0.10 -0.04 1.67 1.59 2dc0A1 ARG 254 HD2 0.03 -0.02 -0.04 -0.04 3.22 3.15 2dc0A1 ARG 254 HD3 0.03 -0.02 -0.03 -0.04 3.22 3.16 2dc0A1 LYS 255 H 0.06 0.36 -0.27 -0.55 8.42 8.01 2dc0A1 LYS 255 HA 0.06 0.02 0.44 -0.75 4.32 4.08 2dc0A1 LYS 255 HB2 0.03 0.12 0.18 -0.04 1.87 2.15 2dc0A1 LYS 255 HB3 0.03 -0.02 0.02 -0.04 1.79 1.78 2dc0A1 LYS 255 HG2 0.02 -0.04 0.03 -0.04 1.46 1.43 2dc0A1 LYS 255 HG3 0.03 0.14 0.11 -0.04 1.46 1.69 2dc0A1 LYS 255 HD2 0.01 -0.05 -0.04 -0.04 1.69 1.57 2dc0A1 LYS 255 HD3 0.01 -0.05 -0.05 -0.04 1.68 1.55 2dc0A1 LYS 255 HE2 0.01 0.03 0.01 -0.04 2.99 2.99 2dc0A1 LYS 255 HE3 0.01 -0.01 -0.00 -0.04 2.99 2.95 2dc0A1 ALA 256 H 0.09 0.44 -0.15 -0.55 8.40 8.23 2dc0A1 ALA 256 HA 0.07 0.03 0.43 -0.75 4.34 4.12 2dc0A1 ALA 256 HB3 -0.03 0.02 0.07 -0.04 1.41 1.44 2dc0A1 PHE 257 H 0.37 0.68 -0.15 -0.55 8.34 8.70 2dc0A1 PHE 257 HA 0.21 0.04 0.36 -0.75 4.62 4.47 2dc0A1 PHE 257 HB2 0.16 0.04 0.08 -0.04 3.15 3.38 2dc0A1 PHE 257 HB3 0.07 0.06 0.11 -0.04 3.06 3.26 2dc0A1 PHE 257 HD2 -0.17 -0.00 -0.07 -0.04 7.28 7.00 2dc0A1 PHE 257 HE2 -0.11 -0.02 -0.17 -0.04 7.38 7.04 2dc0A1 PHE 257 HZ -0.05 0.20 -0.21 -0.04 7.32 7.22 2dc0A1 THR 258 H 0.15 0.57 -0.17 -0.55 8.28 8.27 2dc0A1 THR 258 HA -0.14 -0.01 0.39 -0.75 4.39 3.88 2dc0A1 THR 258 HB 0.04 0.11 0.15 -0.04 4.32 4.57 2dc0A1 THR 258 HG23 -0.01 -0.02 -0.09 -0.04 1.22 1.06 2dc0A1 ARG 259 H 0.05 0.52 -0.25 -0.55 8.46 8.23 2dc0A1 ARG 259 HA 0.00 -0.02 0.40 -0.75 4.34 3.97 2dc0A1 ARG 259 HB2 0.03 -0.03 0.12 -0.04 1.90 1.98 2dc0A1 ARG 259 HB3 0.07 0.22 0.20 -0.04 1.80 2.24 2dc0A1 ARG 259 HG2 0.03 0.03 -0.30 -0.04 1.67 1.39 2dc0A1 ARG 259 HG3 0.01 -0.06 0.01 -0.04 1.67 1.59 2dc0A1 ARG 259 HD2 0.01 -0.06 0.00 -0.04 3.22 3.14 2dc0A1 ARG 259 HD3 0.03 0.04 0.02 -0.04 3.22 3.27 2dc0A1 LEU 260 H 0.05 0.46 -0.19 -0.55 8.37 8.15 2dc0A1 LEU 260 HA 0.02 0.04 0.41 -0.75 4.35 4.06 2dc0A1 LEU 260 HB2 0.17 0.03 0.08 -0.04 1.64 1.88 2dc0A1 LEU 260 HB3 -0.11 0.16 0.14 -0.04 1.64 1.80 2dc0A1 LEU 260 HG -0.15 -0.03 -0.32 -0.04 1.64 1.10 2dc0A1 LEU 260 HD13 0.02 -0.00 -0.01 -0.04 0.93 0.89 2dc0A1 LEU 260 HD23 -0.19 -0.01 -0.10 -0.04 0.89 0.55 2dc0A1 LEU 261 H -0.25 0.51 -0.16 -0.55 8.37 7.92 2dc0A1 LEU 261 HA -0.15 0.01 0.36 -0.75 4.35 3.81 2dc0A1 LEU 261 HB2 -0.20 0.11 0.12 -0.04 1.64 1.63 2dc0A1 LEU 261 HB3 -0.16 -0.07 0.01 -0.04 1.64 1.38 2dc0A1 LEU 261 HG -0.92 0.29 -0.01 -0.04 1.64 0.96 2dc0A1 LEU 261 HD13 -0.35 -0.03 -0.08 -0.04 0.93 0.43 2dc0A1 LEU 261 HD23 -0.44 -0.02 -0.11 -0.04 0.89 0.27 2dc0A1 GLU 262 H -0.06 0.48 -0.29 -0.55 8.60 8.19 2dc0A1 GLU 262 HA -0.02 -0.01 0.44 -0.75 4.29 3.94 2dc0A1 GLU 262 HB2 -0.01 0.16 0.18 -0.04 2.09 2.38 2dc0A1 GLU 262 HB3 -0.01 -0.09 0.03 -0.04 1.99 1.89 2dc0A1 GLU 262 HG2 -0.03 0.14 0.03 -0.04 2.34 2.44 2dc0A1 GLU 262 HG3 -0.01 -0.09 -0.03 -0.04 2.34 2.17 2dc0A1 ASP 263 H -0.01 0.43 -0.19 -0.55 8.40 8.08 2dc0A1 ASP 263 HA 0.01 0.04 0.73 -0.75 4.63 4.66 2dc0A1 ASP 263 HB2 0.01 0.10 0.12 -0.04 2.71 2.91 2dc0A1 ASP 263 HB3 0.01 -0.03 0.01 -0.04 2.70 2.65 2dc0A1 LEU 264 H 0.02 0.48 -0.11 -0.55 8.37 8.21 2dc0A1 LEU 264 HA 0.15 0.02 0.27 -0.75 4.35 4.04 2dc0A1 LEU 264 HB2 0.05 0.13 0.01 -0.04 1.64 1.80 2dc0A1 LEU 264 HB3 0.18 -0.08 -0.22 -0.04 1.64 1.48 2dc0A1 LEU 264 HG -0.00 0.27 -0.03 -0.04 1.64 1.84 2dc0A1 LEU 264 HD13 -0.05 -0.03 -0.15 -0.04 0.93 0.66 2dc0A1 LEU 264 HD23 0.23 -0.02 -0.09 -0.04 0.89 0.97 2dc0A1 PRO 265 HA 0.07 0.32 0.56 -0.51 4.44 4.87 2dc0A1 PRO 265 HB2 0.03 0.01 0.06 -0.04 2.28 2.34 2dc0A1 PRO 265 HB3 0.03 -0.03 0.11 -0.04 2.02 2.09 2dc0A1 PRO 265 HG2 0.02 0.02 0.07 -0.04 2.03 2.10 2dc0A1 PRO 265 HG3 0.03 -0.04 0.06 -0.04 2.03 2.05 2dc0A1 PRO 265 HD2 0.03 0.27 -0.44 -0.04 3.68 3.49 2dc0A1 PRO 265 HD3 0.03 0.24 -0.02 -0.04 3.65 3.86 2dc0A1 ALA 266 H 0.04 0.33 -0.16 -0.55 8.40 8.06 2dc0A1 ALA 266 HA 0.04 -0.00 0.48 -0.75 4.34 4.10 2dc0A1 ALA 266 HB3 0.02 0.02 0.13 -0.04 1.41 1.54 2dc0A1 LEU 267 H 0.10 0.33 -0.49 -0.55 8.37 7.78 2dc0A1 LEU 267 HA 0.07 0.06 0.59 -0.75 4.35 4.32 2dc0A1 LEU 267 HB2 0.23 0.08 0.06 -0.04 1.64 1.98 2dc0A1 LEU 267 HB3 0.08 -0.05 0.11 -0.04 1.64 1.74 2dc0A1 LEU 267 HG 0.02 0.05 -0.11 -0.04 1.64 1.57 2dc0A1 LEU 267 HD13 -0.04 -0.01 -0.09 -0.04 0.93 0.75 2dc0A1 LEU 267 HD23 -0.09 -0.00 -0.01 -0.04 0.89 0.75 2dc0A1 ARG 268 H 0.12 0.37 -0.57 -0.55 8.46 7.83 2dc0A1 ARG 268 HA 0.09 0.03 0.33 -0.75 4.34 4.05 2dc0A1 ARG 268 HB2 0.24 0.23 0.20 -0.04 1.90 2.53 2dc0A1 ARG 268 HB3 0.11 -0.14 0.23 -0.04 1.80 1.95 2dc0A1 ARG 268 HG2 0.10 0.09 -0.34 -0.04 1.67 1.48 2dc0A1 ARG 268 HG3 0.10 -0.07 -0.06 -0.04 1.67 1.59 2dc0A1 ARG 268 HD2 0.05 -0.08 0.03 -0.04 3.22 3.18 2dc0A1 ARG 268 HD3 0.06 0.10 0.05 -0.04 3.22 3.38 2dc0A1 ALA 269 H 0.15 0.41 0.07 -0.55 8.40 8.49 2dc0A1 ALA 269 HA -0.07 0.13 0.73 -0.75 4.34 4.38 2dc0A1 ALA 269 HB3 0.22 -0.00 -0.12 -0.04 1.41 1.47 2dc0A1 GLU 270 H -0.07 0.71 0.29 -0.55 8.60 8.98 2dc0A1 GLU 270 HA 0.02 0.16 0.96 -0.75 4.29 4.68 2dc0A1 GLU 270 HB2 -0.04 0.03 -0.08 -0.04 2.09 1.95 2dc0A1 GLU 270 HB3 -0.06 -0.06 0.05 -0.04 1.99 1.88 2dc0A1 GLU 270 HG2 -0.00 -0.02 0.00 -0.04 2.34 2.29 2dc0A1 GLU 270 HG3 -0.01 0.00 0.03 -0.04 2.34 2.32 2dc0A1 VAL 271 H 0.03 0.20 0.15 -0.55 8.24 8.07 2dc0A1 VAL 271 HA 0.09 0.30 1.08 -0.75 4.13 4.84 2dc0A1 VAL 271 HB 0.02 -0.03 0.13 -0.04 2.12 2.20 2dc0A1 VAL 271 HG13 0.00 -0.02 -0.15 -0.04 0.97 0.76 2dc0A1 VAL 271 HG23 0.05 0.03 -0.17 -0.04 0.95 0.82 2dc0A1 ARG 272 H 0.05 0.81 0.34 -0.55 8.46 9.11 2dc0A1 ARG 272 HA 0.02 0.12 1.05 -0.75 4.34 4.77 2dc0A1 ARG 272 HB2 0.01 0.02 -0.01 -0.04 1.90 1.88 2dc0A1 ARG 272 HB3 0.01 0.07 0.01 -0.04 1.80 1.85 2dc0A1 ARG 272 HG2 0.00 0.01 -0.10 -0.04 1.67 1.54 2dc0A1 ARG 272 HG3 -0.00 -0.08 -0.35 -0.04 1.67 1.20 2dc0A1 ARG 272 HD2 -0.02 0.07 -0.11 -0.04 3.22 3.12 2dc0A1 ARG 272 HD3 -0.01 -0.01 -0.04 -0.04 3.22 3.11 2dc0A1 GLU 273 H 0.02 0.11 0.20 -0.55 8.60 8.38 2dc0A1 GLU 273 HA 0.05 0.16 0.76 -0.75 4.29 4.51 2dc0A1 GLU 273 HB2 0.03 -0.00 0.17 -0.04 2.09 2.24 2dc0A1 GLU 273 HB3 0.03 -0.02 0.13 -0.04 1.99 2.09 2dc0A1 GLU 273 HG2 0.05 0.10 0.01 -0.04 2.34 2.46 2dc0A1 GLU 273 HG3 0.06 -0.04 0.21 -0.04 2.34 2.52 2dc0A1 VAL 274 H 0.06 0.57 0.33 -0.55 8.24 8.65 2dc0A1 VAL 274 HA 0.03 0.20 0.81 -0.75 4.13 4.41 2dc0A1 VAL 274 HB 0.03 0.06 0.06 -0.04 2.12 2.23 2dc0A1 VAL 274 HG13 0.03 0.07 -0.19 -0.04 0.97 0.85 2dc0A1 VAL 274 HG23 0.06 -0.04 -0.45 -0.04 0.95 0.48 2dc0A1 SER 275 H 0.03 0.27 0.13 -0.55 8.46 8.34 2dc0A1 SER 275 HA 0.06 0.01 0.90 -0.75 4.49 4.71 2dc0A1 SER 275 HB2 0.03 0.01 0.01 -0.04 3.95 3.97 2dc0A1 SER 275 HB3 0.03 0.06 0.13 -0.04 3.93 4.11 2dc0A1 LEU 276 H 0.08 0.04 -0.04 -0.55 8.37 7.91 2dc0A1 LEU 276 HA 0.01 0.13 0.52 -0.75 4.35 4.25 2dc0A1 LEU 276 HB2 0.01 0.16 -0.20 -0.04 1.64 1.57 2dc0A1 LEU 276 HB3 0.01 -0.04 -0.04 -0.04 1.64 1.52 2dc0A1 LEU 276 HG -0.15 -0.06 -0.13 -0.04 1.64 1.25 2dc0A1 LEU 276 HD13 -0.03 0.03 -0.12 -0.04 0.93 0.77 2dc0A1 LEU 276 HD23 -0.41 0.01 -0.05 -0.04 0.89 0.39 2dc0A1 PRO 277 HA 0.11 0.10 0.35 -0.51 4.44 4.49 2dc0A1 PRO 277 HB2 0.04 -0.08 0.12 -0.04 2.28 2.31 2dc0A1 PRO 277 HB3 0.05 0.05 0.05 -0.04 2.02 2.12 2dc0A1 PRO 277 HG2 0.03 0.08 0.03 -0.04 2.03 2.13 2dc0A1 PRO 277 HG3 0.05 0.02 0.03 -0.04 2.03 2.08 2dc0A1 PRO 277 HD2 0.03 0.14 0.05 -0.04 3.68 3.85 2dc0A1 PRO 277 HD3 0.04 0.09 -0.27 -0.04 3.65 3.46 2dc0A1 LEU 278 H 0.03 0.11 -0.08 -0.55 8.37 7.89 2dc0A1 LEU 278 HA 0.02 0.04 0.26 -0.75 4.35 3.91 2dc0A1 LEU 278 HB2 0.16 0.25 -0.15 -0.04 1.64 1.86 2dc0A1 LEU 278 HB3 0.02 -0.09 0.14 -0.04 1.64 1.67 2dc0A1 LEU 278 HG -0.10 -0.06 -0.39 -0.04 1.64 1.05 2dc0A1 LEU 278 HD13 -0.53 0.02 -0.08 -0.04 0.93 0.30 2dc0A1 LEU 278 HD23 -0.07 -0.01 -0.02 -0.04 0.89 0.75 2dc0A1 GLU 279 H 0.05 0.00 -0.24 -0.55 8.60 7.86 2dc0A1 GLU 279 HA 0.06 0.10 0.43 -0.75 4.29 4.12 2dc0A1 GLU 279 HB2 0.03 -0.01 0.05 -0.04 2.09 2.12 2dc0A1 GLU 279 HB3 0.03 0.01 0.02 -0.04 1.99 2.00 2dc0A1 GLU 279 HG2 0.04 0.12 -0.05 -0.04 2.34 2.41 2dc0A1 GLU 279 HG3 0.04 -0.09 -0.04 -0.04 2.34 2.20 2dc0A1 GLY 280 H 0.06 0.17 0.22 -0.55 8.43 8.33 2dc0A1 GLY 280 HA2 0.07 -0.04 0.37 -0.51 4.01 3.90 2dc0A1 GLY 280 HA3 0.04 0.14 0.45 -0.51 4.01 4.14 2dc0A1 VAL 281 H 0.09 0.54 -0.24 -0.55 8.24 8.08 2dc0A1 VAL 281 HA 0.05 0.06 0.26 -0.75 4.13 3.74 2dc0A1 VAL 281 HB 0.05 0.11 0.06 -0.04 2.12 2.30 2dc0A1 VAL 281 HG13 0.16 0.02 -0.00 -0.04 0.97 1.10 2dc0A1 VAL 281 HG23 -0.01 -0.01 -0.05 -0.04 0.95 0.85 2dc0A1 TYR 282 H 0.21 0.10 -0.18 -0.55 8.29 7.87 2dc0A1 TYR 282 HA 0.06 0.12 0.39 -0.75 4.56 4.38 2dc0A1 TYR 282 HB2 0.02 0.11 0.10 -0.04 3.06 3.24 2dc0A1 TYR 282 HB3 0.03 -0.08 0.07 -0.04 2.98 2.96 2dc0A1 TYR 282 HD2 0.02 0.02 -0.07 -0.04 7.15 7.08 2dc0A1 TYR 282 HE2 0.04 0.01 -0.11 -0.04 6.85 6.75 2dc0A1 GLU 283 H 0.15 0.10 -0.18 -0.55 8.60 8.13 2dc0A1 GLU 283 HA -0.09 0.03 0.37 -0.75 4.29 3.85 2dc0A1 GLU 283 HB2 0.04 0.13 0.09 -0.04 2.09 2.31 2dc0A1 GLU 283 HB3 0.02 0.00 0.01 -0.04 1.99 1.98 2dc0A1 GLU 283 HG2 0.12 0.01 0.02 -0.04 2.34 2.45 2dc0A1 GLU 283 HG3 0.17 -0.09 0.06 -0.04 2.34 2.43 2dc0A1 VAL 284 H 0.03 0.49 -0.14 -0.55 8.24 8.08 2dc0A1 VAL 284 HA -0.01 -0.01 0.37 -0.75 4.13 3.72 2dc0A1 VAL 284 HB 0.03 0.08 0.08 -0.04 2.12 2.28 2dc0A1 VAL 284 HG13 -0.01 -0.00 -0.17 -0.04 0.97 0.74 2dc0A1 VAL 284 HG23 0.01 0.05 -0.04 -0.04 0.95 0.92 2dc0A1 TYR 285 H 0.11 0.61 -0.14 -0.55 8.29 8.32 2dc0A1 TYR 285 HA -0.03 0.03 0.37 -0.75 4.56 4.18 2dc0A1 TYR 285 HB2 -0.04 0.04 0.08 -0.04 3.06 3.10 2dc0A1 TYR 285 HB3 -0.09 0.11 0.17 -0.04 2.98 3.13 2dc0A1 TYR 285 HD2 -0.08 0.04 -0.06 -0.04 7.15 7.01 2dc0A1 TYR 285 HE2 -0.01 0.12 -0.11 -0.04 6.85 6.81 2dc0A1 THR 286 H -0.06 0.58 -0.12 -0.55 8.28 8.13 2dc0A1 THR 286 HA -0.22 -0.03 0.35 -0.75 4.39 3.73 2dc0A1 THR 286 HB -0.19 0.07 0.15 -0.04 4.32 4.31 2dc0A1 THR 286 HG23 -0.10 -0.02 -0.12 -0.04 1.22 0.94 2dc0A1 ARG 287 H -0.08 0.64 -0.09 -0.55 8.46 8.38 2dc0A1 ARG 287 HA -0.02 0.02 0.39 -0.75 4.34 3.98 2dc0A1 ARG 287 HB2 -0.02 0.07 0.11 -0.04 1.90 2.02 2dc0A1 ARG 287 HB3 0.00 -0.06 -0.02 -0.04 1.80 1.69 2dc0A1 ARG 287 HG2 -0.01 -0.05 0.00 -0.04 1.67 1.57 2dc0A1 ARG 287 HG3 -0.03 0.29 0.10 -0.04 1.67 1.98 2dc0A1 ARG 287 HD2 -0.01 -0.00 -0.04 -0.04 3.22 3.12 2dc0A1 ARG 287 HD3 -0.00 -0.05 -0.01 -0.04 3.22 3.12 2dc0A1 LEU 288 H -0.07 0.61 -0.10 -0.55 8.37 8.27 2dc0A1 LEU 288 HA 0.16 -0.02 0.40 -0.75 4.35 4.14 2dc0A1 LEU 288 HB2 -0.04 0.10 0.11 -0.04 1.64 1.76 2dc0A1 LEU 288 HB3 -0.09 0.06 0.12 -0.04 1.64 1.69 2dc0A1 LEU 288 HG 0.09 -0.07 0.01 -0.04 1.64 1.63 2dc0A1 LEU 288 HD13 -0.06 0.02 -0.13 -0.04 0.93 0.71 2dc0A1 LEU 288 HD23 0.07 -0.01 -0.24 -0.04 0.89 0.67 2dc0A1 VAL 289 H -0.28 0.70 -0.05 -0.55 8.24 8.06 2dc0A1 VAL 289 HA -0.09 -0.04 0.43 -0.75 4.13 3.68 2dc0A1 VAL 289 HB -0.55 0.13 0.09 -0.04 2.12 1.75 2dc0A1 VAL 289 HG13 -0.11 -0.03 -0.23 -0.04 0.97 0.57 2dc0A1 VAL 289 HG23 -0.53 -0.01 -0.03 -0.04 0.95 0.34 2dc0A1 ARG 290 H -0.11 0.67 -0.02 -0.55 8.46 8.44 2dc0A1 ARG 290 HA -0.06 -0.01 0.39 -0.75 4.34 3.90 2dc0A1 ARG 290 HB2 -0.03 0.10 0.10 -0.04 1.90 2.03 2dc0A1 ARG 290 HB3 -0.04 -0.01 -0.00 -0.04 1.80 1.71 2dc0A1 ARG 290 HG2 -0.05 -0.06 -0.01 -0.04 1.67 1.50 2dc0A1 ARG 290 HG3 -0.08 0.07 0.09 -0.04 1.67 1.70 2dc0A1 ARG 290 HD2 -0.04 -0.01 -0.11 -0.04 3.22 3.01 2dc0A1 ARG 290 HD3 -0.03 0.06 -0.01 -0.04 3.22 3.20 2dc0A1 TYR 291 H 0.09 0.53 -0.26 -0.55 8.29 8.09 2dc0A1 TYR 291 HA -0.09 0.20 0.49 -0.75 4.56 4.40 2dc0A1 TYR 291 HB2 -0.03 0.03 0.12 -0.04 3.06 3.14 2dc0A1 TYR 291 HB3 -0.08 0.08 0.18 -0.04 2.98 3.11 2dc0A1 TYR 291 HD2 -0.51 0.07 -0.15 -0.04 7.15 6.52 2dc0A1 TYR 291 HE2 -0.37 -0.04 -0.20 -0.04 6.85 6.20 2dc0A1 GLU 292 H 0.03 0.46 -0.04 -0.55 8.60 8.50 2dc0A1 GLU 292 HA -0.21 0.00 0.47 -0.75 4.29 3.80 2dc0A1 GLU 292 HB2 -0.01 0.08 0.25 -0.04 2.09 2.38 2dc0A1 GLU 292 HB3 -0.03 -0.13 0.14 -0.04 1.99 1.93 2dc0A1 GLU 292 HG2 -0.08 -0.03 0.07 -0.04 2.34 2.25 2dc0A1 GLU 292 HG3 0.12 0.29 0.15 -0.04 2.34 2.86 2dc0A1 ALA 293 H -0.06 0.66 -0.05 -0.55 8.40 8.41 2dc0A1 ALA 293 HA -0.01 0.20 0.51 -0.75 4.34 4.28 2dc0A1 ALA 293 HB3 -0.01 -0.03 0.04 -0.04 1.41 1.37 2dc0A1 ALA 294 H -0.12 0.64 -0.16 -0.55 8.40 8.21 2dc0A1 ALA 294 HA -0.08 -0.03 0.41 -0.75 4.34 3.89 2dc0A1 ALA 294 HB3 -0.15 0.04 0.04 -0.04 1.41 1.30 2dc0A1 ARG 295 H -0.26 0.42 -0.28 -0.55 8.46 7.80 2dc0A1 ARG 295 HA -0.17 0.00 0.48 -0.75 4.34 3.90 2dc0A1 ARG 295 HB2 -0.25 0.11 0.12 -0.04 1.90 1.85 2dc0A1 ARG 295 HB3 -0.19 -0.09 0.10 -0.04 1.80 1.58 2dc0A1 ARG 295 HG2 -0.73 0.44 0.12 -0.04 1.67 1.46 2dc0A1 ARG 295 HG3 -0.56 -0.12 0.02 -0.04 1.67 0.98 2dc0A1 ARG 295 HD2 -0.23 -0.08 0.03 -0.04 3.22 2.90 2dc0A1 ARG 295 HD3 -0.28 -0.02 -0.15 -0.04 3.22 2.73 2dc0A1 ILE 296 H -0.13 0.38 -0.32 -0.55 8.25 7.63 2dc0A1 ILE 296 HA -0.16 0.01 0.54 -0.75 4.18 3.82 2dc0A1 ILE 296 HB -0.23 0.20 0.21 -0.04 1.89 2.02 2dc0A1 ILE 296 HG12 -0.11 0.27 0.10 -0.04 1.49 1.70 2dc0A1 ILE 296 HG13 -0.10 0.02 -0.13 -0.04 1.21 0.96 2dc0A1 ILE 296 HG23 -0.50 0.01 -0.07 -0.04 0.93 0.33 2dc0A1 ILE 296 HD13 -0.10 -0.05 -0.02 -0.04 0.88 0.68 2dc0A1 HIS 297 H -0.04 0.44 -0.10 -0.55 8.41 8.16 2dc0A1 HIS 297 HA 0.06 0.13 0.76 -0.75 4.63 4.83 2dc0A1 HIS 297 HB2 -0.12 0.07 0.07 -0.04 3.26 3.25 2dc0A1 HIS 297 HB3 0.17 -0.10 0.14 -0.04 3.20 3.38 2dc0A1 HIS 297 HD2 -0.05 0.17 0.08 -0.04 6.97 7.11 2dc0A1 HIS 297 HE1 0.08 -0.01 -0.01 -0.04 7.75 7.78 2dc0A1 GLU 298 H -0.04 0.27 -0.55 -0.55 8.60 7.74 2dc0A1 GLU 298 HA -0.00 0.07 0.37 -0.75 4.29 3.97 2dc0A1 GLU 298 HB2 -0.08 0.14 0.16 -0.04 2.09 2.28 2dc0A1 GLU 298 HB3 -0.04 -0.00 0.10 -0.04 1.99 2.00 2dc0A1 GLU 298 HG2 -0.02 -0.06 -0.21 -0.04 2.34 2.01 2dc0A1 GLU 298 HG3 -0.03 -0.02 0.01 -0.04 2.34 2.26 2dc0A1 LYS 299 H 0.02 0.21 -0.15 -0.55 8.42 7.94 2dc0A1 LYS 299 HA 0.03 0.06 0.42 -0.75 4.32 4.08 2dc0A1 LYS 299 HB2 0.01 0.03 0.09 -0.04 1.87 1.96 2dc0A1 LYS 299 HB3 0.03 0.03 0.06 -0.04 1.79 1.87 2dc0A1 LYS 299 HG2 0.05 -0.00 -0.20 -0.04 1.46 1.27 2dc0A1 LYS 299 HG3 0.02 -0.02 0.02 -0.04 1.46 1.44 2dc0A1 LYS 299 HD2 0.00 0.00 0.00 -0.04 1.69 1.66 2dc0A1 LYS 299 HD3 0.01 0.05 -0.04 -0.04 1.68 1.66 2dc0A1 LYS 299 HE2 0.01 -0.02 -0.01 -0.04 2.99 2.92 2dc0A1 LYS 299 HE3 0.01 0.00 -0.02 -0.04 2.99 2.94 2dc0A1 ALA 300 H 0.13 0.18 -0.20 -0.55 8.40 7.96 2dc0A1 ALA 300 HA 0.15 -0.02 0.37 -0.75 4.34 4.09 2dc0A1 ALA 300 HB3 0.20 0.05 0.04 -0.04 1.41 1.66 2dc0A1 LEU 301 H 0.21 0.58 -0.30 -0.55 8.37 8.31 2dc0A1 LEU 301 HA 0.35 -0.01 0.29 -0.75 4.35 4.23 2dc0A1 LEU 301 HB2 0.04 0.08 0.05 -0.04 1.64 1.77 2dc0A1 LEU 301 HB3 0.05 0.11 0.04 -0.04 1.64 1.79 2dc0A1 LEU 301 HG 0.03 -0.02 -0.07 -0.04 1.64 1.54 2dc0A1 LEU 301 HD13 -0.02 -0.02 0.06 -0.04 0.93 0.91 2dc0A1 LEU 301 HD23 -0.09 -0.02 -0.13 -0.04 0.89 0.62 2dc0A1 LYS 302 H 0.08 0.34 -0.37 -0.55 8.42 7.92 2dc0A1 LYS 302 HA 0.03 0.06 0.64 -0.75 4.32 4.30 2dc0A1 LYS 302 HB2 0.02 0.04 0.11 -0.04 1.87 1.99 2dc0A1 LYS 302 HB3 0.02 0.06 0.17 -0.04 1.79 2.00 2dc0A1 LYS 302 HG2 0.00 -0.06 -0.01 -0.04 1.46 1.35 2dc0A1 LYS 302 HG3 -0.00 -0.01 -0.12 -0.04 1.46 1.29 2dc0A1 LYS 302 HD2 0.01 0.04 0.09 -0.04 1.69 1.79 2dc0A1 LYS 302 HD3 0.00 -0.00 0.01 -0.04 1.68 1.65 2dc0A1 LYS 302 HE2 -0.00 -0.03 0.00 -0.04 2.99 2.92 2dc0A1 LYS 302 HE3 -0.01 -0.01 0.01 -0.04 2.99 2.94 2dc0A1 GLU 303 H 0.06 0.58 0.09 -0.55 8.60 8.78 2dc0A1 GLU 303 HA -0.10 0.06 0.59 -0.75 4.29 4.09 2dc0A1 GLU 303 HB2 0.15 0.03 0.10 -0.04 2.09 2.34 2dc0A1 GLU 303 HB3 -0.02 -0.04 -0.01 -0.04 1.99 1.88 2dc0A1 GLU 303 HG2 -0.01 -0.04 0.02 -0.04 2.34 2.27 2dc0A1 GLU 303 HG3 0.02 -0.00 0.02 -0.04 2.34 2.33 2dc0A1 HIS 304 H 0.14 0.69 0.02 -0.55 8.41 8.72 2dc0A1 HIS 304 HA -0.01 0.14 0.87 -0.75 4.63 4.88 2dc0A1 HIS 304 HB2 -0.09 0.02 0.22 -0.04 3.26 3.38 2dc0A1 HIS 304 HB3 -0.10 -0.09 0.15 -0.04 3.20 3.12 2dc0A1 HIS 304 HD2 -0.06 -0.03 0.01 -0.04 6.97 6.84 2dc0A1 HIS 304 HE1 -0.03 -0.03 -0.06 -0.04 7.75 7.59 2dc0A1 PRO 305 HA 0.33 0.06 0.50 -0.51 4.44 4.83 2dc0A1 PRO 305 HB2 0.12 -0.07 0.03 -0.04 2.28 2.31 2dc0A1 PRO 305 HB3 0.11 0.40 0.18 -0.04 2.02 2.68 2dc0A1 PRO 305 HG2 0.06 -0.09 0.03 -0.04 2.03 1.98 2dc0A1 PRO 305 HG3 0.04 0.06 0.03 -0.04 2.03 2.12 2dc0A1 PRO 305 HD2 -0.02 0.13 -0.11 -0.04 3.68 3.64 2dc0A1 PRO 305 HD3 0.03 0.30 -0.48 -0.04 3.65 3.46 2dc0A1 GLU 306 H 0.07 0.15 -0.25 -0.55 8.60 8.03 2dc0A1 GLU 306 HA 0.16 0.13 0.42 -0.75 4.29 4.24 2dc0A1 GLU 306 HB2 0.11 -0.00 0.08 -0.04 2.09 2.24 2dc0A1 GLU 306 HB3 0.07 -0.01 0.06 -0.04 1.99 2.06 2dc0A1 GLU 306 HG2 0.01 0.06 -0.31 -0.04 2.34 2.06 2dc0A1 GLU 306 HG3 0.03 -0.01 -0.05 -0.04 2.34 2.27 2dc0A1 GLY 307 H -0.02 0.39 -0.62 -0.55 8.43 7.63 2dc0A1 GLY 307 HA2 -0.32 0.08 0.36 -0.51 4.01 3.62 2dc0A1 GLY 307 HA3 -0.34 0.06 0.09 -0.51 4.01 3.31 2dc0A1 PHE 308 H 0.21 0.45 -0.32 -0.55 8.34 8.12 2dc0A1 PHE 308 HA 0.34 0.02 0.82 -0.75 4.62 5.04 2dc0A1 PHE 308 HB2 0.09 0.18 0.09 -0.04 3.15 3.48 2dc0A1 PHE 308 HB3 0.08 -0.10 -0.01 -0.04 3.06 2.99 2dc0A1 PHE 308 HD2 0.04 0.00 0.00 -0.04 7.28 7.28 2dc0A1 PHE 308 HE2 -0.11 0.01 -0.21 -0.04 7.38 7.02 2dc0A1 PHE 308 HZ 0.03 0.04 -0.05 -0.04 7.32 7.30 2dc0A1 SER 309 H 0.32 0.05 0.17 -0.55 8.46 8.46 2dc0A1 SER 309 HA -0.18 0.23 0.48 -0.75 4.49 4.26 2dc0A1 SER 309 HB2 -0.30 0.02 0.18 -0.04 3.95 3.80 2dc0A1 SER 309 HB3 -0.54 0.06 0.18 -0.04 3.93 3.60 2dc0A1 PRO 310 HA 0.02 0.14 0.43 -0.51 4.44 4.52 2dc0A1 PRO 310 HB2 -0.04 -0.05 0.12 -0.04 2.28 2.27 2dc0A1 PRO 310 HB3 -0.01 0.06 0.08 -0.04 2.02 2.12 2dc0A1 PRO 310 HG2 -0.07 0.06 0.10 -0.04 2.03 2.09 2dc0A1 PRO 310 HG3 -0.02 0.12 0.10 -0.04 2.03 2.19 2dc0A1 PRO 310 HD2 -0.17 0.05 0.23 -0.04 3.68 3.75 2dc0A1 PRO 310 HD3 -0.15 0.24 0.24 -0.04 3.65 3.93 2dc0A1 GLN 311 H -0.04 0.14 -0.08 -0.55 8.47 7.94 2dc0A1 GLN 311 HA 0.00 0.07 0.38 -0.75 4.36 4.06 2dc0A1 GLN 311 HB2 -0.01 0.02 0.12 -0.04 2.15 2.23 2dc0A1 GLN 311 HB3 0.01 -0.03 0.10 -0.04 2.02 2.06 2dc0A1 GLN 311 HG2 0.04 0.01 -0.08 -0.04 2.40 2.33 2dc0A1 GLN 311 HG3 0.02 -0.01 0.03 -0.04 2.39 2.40 2dc0A1 GLN 311 HE21 0.12 -0.10 0.04 -0.04 6.97 6.99 2dc0A1 GLN 311 HE22 0.04 -0.01 0.01 -0.04 7.69 7.69 2dc0A1 VAL 312 H 0.02 0.05 -0.17 -0.55 8.24 7.58 2dc0A1 VAL 312 HA 0.01 0.11 0.45 -0.75 4.13 3.94 2dc0A1 VAL 312 HB 0.11 -0.06 0.13 -0.04 2.12 2.25 2dc0A1 VAL 312 HG13 -0.09 0.02 -0.14 -0.04 0.97 0.71 2dc0A1 VAL 312 HG23 0.10 0.03 0.08 -0.04 0.95 1.12 2dc0A1 ARG 313 H 0.04 0.69 -0.19 -0.55 8.46 8.45 2dc0A1 ARG 313 HA -0.13 0.03 0.38 -0.75 4.34 3.87 2dc0A1 ARG 313 HB2 0.13 0.17 -0.05 -0.04 1.90 2.11 2dc0A1 ARG 313 HB3 0.04 0.01 0.06 -0.04 1.80 1.87 2dc0A1 ARG 313 HG2 0.03 -0.07 -0.07 -0.04 1.67 1.52 2dc0A1 ARG 313 HG3 0.06 -0.02 0.07 -0.04 1.67 1.75 2dc0A1 ARG 313 HD2 0.12 -0.06 -0.03 -0.04 3.22 3.20 2dc0A1 ARG 313 HD3 0.20 0.31 0.00 -0.04 3.22 3.69 2dc0A1 GLU 314 H -0.00 0.63 -0.14 -0.55 8.60 8.54 2dc0A1 GLU 314 HA -0.01 0.02 0.43 -0.75 4.29 3.98 2dc0A1 GLU 314 HB2 0.00 -0.00 0.10 -0.04 2.09 2.15 2dc0A1 GLU 314 HB3 0.00 0.13 0.18 -0.04 1.99 2.26 2dc0A1 GLU 314 HG2 0.00 -0.01 -0.27 -0.04 2.34 2.02 2dc0A1 GLU 314 HG3 0.00 -0.03 0.02 -0.04 2.34 2.29 2dc0A1 ALA 315 H -0.02 0.47 -0.12 -0.55 8.40 8.18 2dc0A1 ALA 315 HA -0.02 -0.02 0.44 -0.75 4.34 3.99 2dc0A1 ALA 315 HB3 -0.03 0.02 0.10 -0.04 1.41 1.46 2dc0A1 LEU 316 H -0.11 0.65 -0.07 -0.55 8.37 8.29 2dc0A1 LEU 316 HA -0.11 0.04 0.45 -0.75 4.35 3.97 2dc0A1 LEU 316 HB2 -0.24 0.09 0.16 -0.04 1.64 1.61 2dc0A1 LEU 316 HB3 -0.21 -0.01 -0.01 -0.04 1.64 1.37 2dc0A1 LEU 316 HG -0.28 0.08 0.02 -0.04 1.64 1.41 2dc0A1 LEU 316 HD13 -0.96 -0.01 -0.07 -0.04 0.93 -0.14 2dc0A1 LEU 316 HD23 -0.14 -0.00 -0.13 -0.04 0.89 0.58 2dc0A1 LEU 317 H -0.06 0.64 -0.14 -0.55 8.37 8.26 2dc0A1 LEU 317 HA -0.04 0.03 0.42 -0.75 4.35 4.01 2dc0A1 LEU 317 HB2 -0.02 0.09 0.17 -0.04 1.64 1.84 2dc0A1 LEU 317 HB3 -0.01 -0.08 0.01 -0.04 1.64 1.52 2dc0A1 LEU 317 HG -0.03 0.20 0.09 -0.04 1.64 1.86 2dc0A1 LEU 317 HD13 0.00 -0.03 -0.06 -0.04 0.93 0.80 2dc0A1 LEU 317 HD23 -0.01 -0.01 -0.00 -0.04 0.89 0.83 2dc0A1 ALA 318 H -0.03 0.53 -0.22 -0.55 8.40 8.13 2dc0A1 ALA 318 HA -0.00 -0.02 0.43 -0.75 4.34 4.00 2dc0A1 ALA 318 HB3 -0.01 0.03 0.10 -0.04 1.41 1.49 2dc0A1 GLY 319 H -0.04 0.39 -0.41 -0.55 8.43 7.82 2dc0A1 GLY 319 HA2 -0.00 -0.08 0.22 -0.51 4.01 3.64 2dc0A1 GLY 319 HA3 -0.06 0.22 0.20 -0.51 4.01 3.86 2dc0A1 LEU 320 H -0.05 0.34 -0.19 -0.55 8.37 7.92 2dc0A1 LEU 320 HA -0.09 0.09 0.56 -0.75 4.35 4.15 2dc0A1 LEU 320 HB2 -0.04 0.07 0.12 -0.04 1.64 1.76 2dc0A1 LEU 320 HB3 -0.04 -0.07 0.04 -0.04 1.64 1.52 2dc0A1 LEU 320 HG -0.08 0.12 -0.01 -0.04 1.64 1.64 2dc0A1 LEU 320 HD13 -0.03 -0.02 -0.04 -0.04 0.93 0.79 2dc0A1 LEU 320 HD23 -0.11 0.01 -0.08 -0.04 0.89 0.67 2dc0A1 ALA 321 H -0.01 0.32 -0.35 -0.55 8.40 7.82 2dc0A1 ALA 321 HA 0.01 0.01 0.50 -0.75 4.34 4.11 2dc0A1 ALA 321 HB3 0.01 0.00 0.09 -0.04 1.41 1.47 2dc0A1 LEU 322 H 0.05 0.28 -0.41 -0.55 8.37 7.74 2dc0A1 LEU 322 HA 0.06 -0.07 0.62 -0.75 4.35 4.21 2dc0A1 LEU 322 HB2 0.21 0.23 0.12 -0.04 1.64 2.16 2dc0A1 LEU 322 HB3 0.12 -0.13 0.02 -0.04 1.64 1.61 2dc0A1 LEU 322 HG 0.04 0.33 0.06 -0.04 1.64 2.03 2dc0A1 LEU 322 HD13 0.05 -0.04 0.01 -0.04 0.93 0.92 2dc0A1 LEU 322 HD23 0.03 -0.04 -0.01 -0.04 0.89 0.83 2dc0A1 THR 323 H 0.06 -0.02 0.19 -0.55 8.28 7.96 2dc0A1 THR 323 HA 0.14 0.35 0.70 -0.75 4.39 4.83 2dc0A1 THR 323 HB 0.05 -0.07 0.21 -0.04 4.32 4.46 2dc0A1 THR 323 HG23 0.04 0.08 0.02 -0.04 1.22 1.31 2dc0A1 GLU 324 H 0.09 0.23 0.18 -0.55 8.60 8.56 2dc0A1 GLU 324 HA -0.17 0.15 0.44 -0.75 4.29 3.97 2dc0A1 GLU 324 HB2 0.06 0.03 0.11 -0.04 2.09 2.26 2dc0A1 GLU 324 HB3 0.13 0.10 0.14 -0.04 1.99 2.32 2dc0A1 GLU 324 HG2 0.05 0.07 0.04 -0.04 2.34 2.46 2dc0A1 GLU 324 HG3 0.04 -0.08 0.12 -0.04 2.34 2.38 2dc0A1 LYS 325 H 0.00 0.07 -0.25 -0.55 8.42 7.69 2dc0A1 LYS 325 HA -0.03 0.12 0.48 -0.75 4.32 4.14 2dc0A1 LYS 325 HB2 -0.01 0.04 0.08 -0.04 1.87 1.95 2dc0A1 LYS 325 HB3 -0.01 -0.03 0.08 -0.04 1.79 1.79 2dc0A1 LYS 325 HG2 -0.01 0.04 -0.03 -0.04 1.46 1.42 2dc0A1 LYS 325 HG3 -0.02 0.01 -0.26 -0.04 1.46 1.15 2dc0A1 LYS 325 HD2 -0.03 -0.05 0.08 -0.04 1.69 1.65 2dc0A1 LYS 325 HD3 -0.02 0.02 0.02 -0.04 1.68 1.67 2dc0A1 LYS 325 HE2 -0.02 0.02 -0.01 -0.04 2.99 2.94 2dc0A1 LYS 325 HE3 -0.01 0.02 -0.02 -0.04 2.99 2.94 2dc0A1 ASP 326 H -0.03 0.10 -0.17 -0.55 8.40 7.75 2dc0A1 ASP 326 HA -0.04 0.05 0.39 -0.75 4.63 4.28 2dc0A1 ASP 326 HB2 -0.01 0.21 0.11 -0.04 2.71 2.98 2dc0A1 ASP 326 HB3 -0.01 0.04 0.02 -0.04 2.70 2.71 2dc0A1 TYR 327 H -0.17 0.36 -0.33 -0.55 8.29 7.59 2dc0A1 TYR 327 HA -0.31 0.06 0.39 -0.75 4.56 3.95 2dc0A1 TYR 327 HB2 -1.66 0.09 0.04 -0.04 3.06 1.49 2dc0A1 TYR 327 HB3 -0.64 0.08 0.14 -0.04 2.98 2.52 2dc0A1 TYR 327 HD2 -0.22 0.01 0.02 -0.04 7.15 6.91 2dc0A1 TYR 327 HE2 -0.00 0.02 0.01 -0.04 6.85 6.83 2dc0A1 ARG 328 H -0.12 0.53 -0.10 -0.55 8.46 8.22 2dc0A1 ARG 328 HA -0.28 0.03 0.41 -0.75 4.34 3.75 2dc0A1 ARG 328 HB2 -0.08 0.08 0.22 -0.04 1.90 2.08 2dc0A1 ARG 328 HB3 -0.09 -0.04 0.02 -0.04 1.80 1.65 2dc0A1 ARG 328 HG2 -0.09 -0.02 0.06 -0.04 1.67 1.58 2dc0A1 ARG 328 HG3 -0.04 0.18 0.11 -0.04 1.67 1.87 2dc0A1 ARG 328 HD2 -0.04 -0.01 0.01 -0.04 3.22 3.14 2dc0A1 ARG 328 HD3 -0.02 -0.01 0.00 -0.04 3.22 3.15 2dc0A1 ASP 329 H -0.10 0.50 -0.26 -0.55 8.40 7.99 2dc0A1 ASP 329 HA -0.08 0.01 0.44 -0.75 4.63 4.25 2dc0A1 ASP 329 HB2 -0.06 0.14 0.16 -0.04 2.71 2.91 2dc0A1 ASP 329 HB3 -0.05 -0.05 -0.00 -0.04 2.70 2.56 2dc0A1 ALA 330 H -0.12 0.57 -0.10 -0.55 8.40 8.20 2dc0A1 ALA 330 HA -0.07 -0.03 0.45 -0.75 4.34 3.94 2dc0A1 ALA 330 HB3 -0.08 0.04 0.12 -0.04 1.41 1.45 2dc0A1 VAL 331 H -0.31 0.68 -0.13 -0.55 8.24 7.93 2dc0A1 VAL 331 HA -0.20 0.04 0.42 -0.75 4.13 3.63 2dc0A1 VAL 331 HB -0.32 0.11 0.18 -0.04 2.12 2.06 2dc0A1 VAL 331 HG13 -0.18 -0.02 -0.08 -0.04 0.97 0.66 2dc0A1 VAL 331 HG23 -0.77 0.04 0.03 -0.04 0.95 0.21 2dc0A1 ALA 332 H -0.13 0.49 -0.18 -0.55 8.40 8.03 2dc0A1 ALA 332 HA -0.08 0.03 0.53 -0.75 4.34 4.07 2dc0A1 ALA 332 HB3 -0.07 0.01 0.12 -0.04 1.41 1.43 2dc0A1 GLU 333 H -0.07 0.70 -0.05 -0.55 8.60 8.64 2dc0A1 GLU 333 HA -0.03 -0.01 0.44 -0.75 4.29 3.93 2dc0A1 GLU 333 HB2 -0.04 0.10 0.16 -0.04 2.09 2.27 2dc0A1 GLU 333 HB3 -0.02 -0.06 0.01 -0.04 1.99 1.88 2dc0A1 GLU 333 HG2 -0.04 0.27 0.06 -0.04 2.34 2.59 2dc0A1 GLU 333 HG3 -0.02 -0.08 -0.03 -0.04 2.34 2.17 2dc0A1 ARG 334 H -0.06 0.50 -0.29 -0.55 8.46 8.05 2dc0A1 ARG 334 HA -0.02 0.01 0.42 -0.75 4.34 3.99 2dc0A1 ARG 334 HB2 -0.04 -0.01 0.06 -0.04 1.90 1.87 2dc0A1 ARG 334 HB3 -0.07 0.14 0.16 -0.04 1.80 1.99 2dc0A1 ARG 334 HG2 -0.04 -0.02 -0.27 -0.04 1.67 1.30 2dc0A1 ARG 334 HG3 -0.02 -0.08 -0.06 -0.04 1.67 1.47 2dc0A1 ARG 334 HD2 -0.02 0.28 0.02 -0.04 3.22 3.46 2dc0A1 ARG 334 HD3 -0.01 -0.08 -0.01 -0.04 3.22 3.08 2dc0A1 GLU 335 H -0.06 0.41 -0.13 -0.55 8.60 8.27 2dc0A1 GLU 335 HA -0.04 0.04 0.47 -0.75 4.29 4.01 2dc0A1 GLU 335 HB2 -0.05 0.11 0.19 -0.04 2.09 2.31 2dc0A1 GLU 335 HB3 -0.04 -0.07 0.07 -0.04 1.99 1.91 2dc0A1 GLU 335 HG2 -0.07 0.25 0.15 -0.04 2.34 2.63 2dc0A1 GLU 335 HG3 -0.06 -0.06 0.06 -0.04 2.34 2.25 2dc0A1 ALA 336 H -0.03 0.46 -0.27 -0.55 8.40 8.01 2dc0A1 ALA 336 HA -0.02 -0.01 0.40 -0.75 4.34 3.96 2dc0A1 ALA 336 HB3 -0.02 0.03 0.10 -0.04 1.41 1.48 2dc0A1 LEU 337 H -0.02 0.44 -0.46 -0.55 8.37 7.78 2dc0A1 LEU 337 HA -0.01 0.02 0.65 -0.75 4.35 4.26 2dc0A1 LEU 337 HB2 -0.02 0.22 0.10 -0.04 1.64 1.90 2dc0A1 LEU 337 HB3 -0.03 -0.10 0.06 -0.04 1.64 1.53 2dc0A1 LEU 337 HG -0.01 0.21 0.00 -0.04 1.64 1.80 2dc0A1 LEU 337 HD13 -0.01 -0.02 -0.07 -0.04 0.93 0.80 2dc0A1 LEU 337 HD23 -0.00 -0.01 -0.06 -0.04 0.89 0.78 2dc0A1 ARG 338 H -0.02 0.42 -0.17 -0.55 8.46 8.14 2dc0A1 ARG 338 HA 0.00 0.04 0.41 -0.75 4.34 4.04 2dc0A1 ARG 338 HB2 -0.02 0.10 0.22 -0.04 1.90 2.17 2dc0A1 ARG 338 HB3 -0.02 0.01 0.15 -0.04 1.80 1.91 2dc0A1 ARG 338 HG2 -0.00 -0.08 -0.02 -0.04 1.67 1.53 2dc0A1 ARG 338 HG3 0.02 0.04 0.10 -0.04 1.67 1.79 2dc0A1 ARG 338 HD2 -0.04 -0.03 0.04 -0.04 3.22 3.14 2dc0A1 ARG 338 HD3 -0.05 0.00 0.04 -0.04 3.22 3.17 2dc0A1 LEU 339 H -0.01 0.27 -0.17 -0.55 8.37 7.92 2dc0A1 LEU 339 HA -0.00 0.05 0.40 -0.75 4.35 4.04 2dc0A1 LEU 339 HB2 -0.01 0.03 0.10 -0.04 1.64 1.72 2dc0A1 LEU 339 HB3 -0.01 0.06 0.06 -0.04 1.64 1.71 2dc0A1 LEU 339 HG -0.00 -0.01 -0.11 -0.04 1.64 1.47 2dc0A1 LEU 339 HD13 -0.00 -0.01 0.06 -0.04 0.93 0.93 2dc0A1 LEU 339 HD23 -0.00 0.00 0.00 -0.04 0.89 0.85 2dc0A1 GLU 340 H -0.00 0.25 -0.32 -0.55 8.60 7.98 2dc0A1 GLU 340 HA 0.00 0.02 0.42 -0.75 4.29 3.99 2dc0A1 GLU 340 HB2 -0.01 0.29 0.19 -0.04 2.09 2.52 2dc0A1 GLU 340 HB3 -0.01 -0.05 -0.03 -0.04 1.99 1.86 2dc0A1 GLU 340 HG2 0.01 -0.01 0.06 -0.04 2.34 2.36 2dc0A1 GLU 340 HG3 0.00 0.07 0.09 -0.04 2.34 2.45 2dc0A1 LEU 341 H 0.00 0.41 -0.11 -0.55 8.37 8.13 2dc0A1 LEU 341 HA 0.02 0.05 0.49 -0.75 4.35 4.16 2dc0A1 LEU 341 HB2 0.00 -0.00 0.05 -0.04 1.64 1.65 2dc0A1 LEU 341 HB3 0.03 0.12 0.13 -0.04 1.64 1.89 2dc0A1 LEU 341 HG 0.09 -0.01 -0.24 -0.04 1.64 1.43 2dc0A1 LEU 341 HD13 0.13 -0.01 -0.05 -0.04 0.93 0.97 2dc0A1 LEU 341 HD23 0.12 0.01 -0.08 -0.04 0.89 0.90 2dc0A1 VAL 342 H 0.02 0.45 -0.09 -0.55 8.24 8.08 2dc0A1 VAL 342 HA 0.04 0.01 0.38 -0.75 4.13 3.81 2dc0A1 VAL 342 HB 0.01 0.10 0.18 -0.04 2.12 2.37 2dc0A1 VAL 342 HG13 0.01 -0.02 -0.09 -0.04 0.97 0.84 2dc0A1 VAL 342 HG23 0.02 0.04 0.05 -0.04 0.95 1.03 2dc0A1 LYS 343 H 0.01 0.52 -0.17 -0.55 8.42 8.23 2dc0A1 LYS 343 HA 0.01 0.00 0.47 -0.75 4.32 4.05 2dc0A1 LYS 343 HB2 0.01 0.11 0.17 -0.04 1.87 2.12 2dc0A1 LYS 343 HB3 0.01 -0.05 0.05 -0.04 1.79 1.76 2dc0A1 LYS 343 HG2 0.01 -0.06 0.04 -0.04 1.46 1.40 2dc0A1 LYS 343 HG3 0.01 0.12 0.10 -0.04 1.46 1.65 2dc0A1 LYS 343 HD2 0.00 -0.07 -0.05 -0.04 1.69 1.53 2dc0A1 LYS 343 HD3 0.01 -0.02 -0.09 -0.04 1.68 1.54 2dc0A1 LYS 343 HE2 0.01 0.02 0.00 -0.04 2.99 2.98 2dc0A1 LYS 343 HE3 0.00 -0.02 0.00 -0.04 2.99 2.94 2dc0A1 ALA 344 H 0.02 0.39 -0.19 -0.55 8.40 8.07 2dc0A1 ALA 344 HA 0.02 -0.03 0.44 -0.75 4.34 4.02 2dc0A1 ALA 344 HB3 0.03 0.03 0.04 -0.04 1.41 1.47 2dc0A1 LEU 345 H 0.03 0.36 -0.33 -0.55 8.37 7.88 2dc0A1 LEU 345 HA 0.02 0.06 0.43 -0.75 4.35 4.10 2dc0A1 LEU 345 HB2 0.03 0.08 0.06 -0.04 1.64 1.76 2dc0A1 LEU 345 HB3 0.02 -0.07 -0.05 -0.04 1.64 1.51 2dc0A1 LEU 345 HG 0.04 0.03 -0.14 -0.04 1.64 1.53 2dc0A1 LEU 345 HD13 0.06 -0.03 -0.27 -0.04 0.93 0.65 2dc0A1 LEU 345 HD23 0.01 -0.00 -0.19 -0.04 0.89 0.67 2dc0A1 ARG 346 H 0.01 0.27 -0.28 -0.55 8.46 7.91 2dc0A1 ARG 346 HA 0.00 -0.06 0.45 -0.75 4.34 3.97 2dc0A1 ARG 346 HB2 0.00 0.18 0.19 -0.04 1.90 2.23 2dc0A1 ARG 346 HB3 -0.00 -0.08 0.00 -0.04 1.80 1.68 2dc0A1 ARG 346 HG2 0.00 -0.08 0.05 -0.04 1.67 1.60 2dc0A1 ARG 346 HG3 0.01 0.38 0.10 -0.04 1.67 2.11 2dc0A1 ARG 346 HD2 0.00 -0.06 -0.04 -0.04 3.22 3.07 2dc0A1 ARG 346 HD3 0.00 -0.01 0.03 -0.04 3.22 3.21 2dc0A1 GLY 347 H -0.01 0.09 0.20 -0.55 8.43 8.15 2dc0A1 GLY 347 HA2 -0.02 -0.07 0.35 -0.51 4.01 3.76 2dc0A1 GLY 347 HA3 -0.02 0.11 0.56 -0.51 4.01 4.15 2dc0A1 VAL 348 H -0.02 0.53 -0.29 -0.55 8.24 7.91 2dc0A1 VAL 348 HA -0.08 0.12 0.86 -0.75 4.13 4.29 2dc0A1 VAL 348 HB -0.04 0.00 -0.01 -0.04 2.12 2.03 2dc0A1 VAL 348 HG13 -0.01 -0.00 -0.31 -0.04 0.97 0.60 2dc0A1 VAL 348 HG23 0.00 0.01 -0.20 -0.04 0.95 0.72 2dc0A1 ASP 349 H -0.19 0.65 0.38 -0.55 8.40 8.69 2dc0A1 ASP 349 HA -0.10 0.06 0.66 -0.75 4.63 4.49 2dc0A1 ASP 349 HB2 -0.41 0.07 0.17 -0.04 2.71 2.51 2dc0A1 ASP 349 HB3 -0.21 -0.04 0.08 -0.04 2.70 2.50 2dc0A1 ALA 350 H -0.05 0.31 0.21 -0.55 8.40 8.32 2dc0A1 ALA 350 HA 0.02 0.17 0.51 -0.75 4.34 4.28 2dc0A1 ALA 350 HB3 0.12 0.01 -0.11 -0.04 1.41 1.39 2dc0A1 LEU 351 H -0.01 0.57 0.36 -0.55 8.37 8.75 2dc0A1 LEU 351 HA 0.07 0.27 1.00 -0.75 4.35 4.93 2dc0A1 LEU 351 HB2 -0.14 -0.09 0.05 -0.04 1.64 1.42 2dc0A1 LEU 351 HB3 -0.01 0.05 0.02 -0.04 1.64 1.66 2dc0A1 LEU 351 HG -0.01 0.02 -0.12 -0.04 1.64 1.49 2dc0A1 LEU 351 HD13 0.04 -0.02 -0.14 -0.04 0.93 0.77 2dc0A1 LEU 351 HD23 0.04 0.01 -0.29 -0.04 0.89 0.60 2dc0A1 LEU 352 H 0.08 0.63 0.36 -0.55 8.37 8.89 2dc0A1 LEU 352 HA -0.05 0.41 0.99 -0.75 4.35 4.96 2dc0A1 LEU 352 HB2 0.07 -0.03 0.00 -0.04 1.64 1.63 2dc0A1 LEU 352 HB3 0.04 -0.02 -0.06 -0.04 1.64 1.56 2dc0A1 LEU 352 HG -0.12 -0.06 -0.28 -0.04 1.64 1.15 2dc0A1 LEU 352 HD13 -0.70 -0.01 -0.14 -0.04 0.93 0.04 2dc0A1 LEU 352 HD23 -0.26 0.04 -0.05 -0.04 0.89 0.58 2dc0A1 LEU 353 H -0.11 0.49 0.25 -0.55 8.37 8.45 2dc0A1 LEU 353 HA -0.67 0.03 0.41 -0.75 4.35 3.37 2dc0A1 LEU 353 HB2 -0.12 0.01 0.06 -0.04 1.64 1.54 2dc0A1 LEU 353 HB3 -0.01 0.09 -0.04 -0.04 1.64 1.63 2dc0A1 LEU 353 HG -0.05 0.02 -0.20 -0.04 1.64 1.37 2dc0A1 LEU 353 HD13 0.30 0.03 -0.08 -0.04 0.93 1.14 2dc0A1 LEU 353 HD23 -0.18 -0.03 -0.33 -0.04 0.89 0.31 2dc0A1 PRO 354 HA -0.13 0.13 0.59 -0.51 4.44 4.52 2dc0A1 PRO 354 HB2 -0.09 0.04 -0.05 -0.04 2.28 2.14 2dc0A1 PRO 354 HB3 0.07 0.09 0.14 -0.04 2.02 2.28 2dc0A1 PRO 354 HG2 -0.29 -0.01 -0.00 -0.04 2.03 1.68 2dc0A1 PRO 354 HG3 -0.40 0.03 0.04 -0.04 2.03 1.65 2dc0A1 PRO 354 HD2 -0.50 0.11 0.11 -0.04 3.68 3.36 2dc0A1 PRO 354 HD3 -1.88 0.10 0.14 -0.04 3.65 1.96 2dc0A1 VAL 355 H 0.10 0.56 0.15 -0.55 8.24 8.50 2dc0A1 VAL 355 HA 0.06 0.18 0.51 -0.75 4.13 4.12 2dc0A1 VAL 355 HB 0.07 -0.02 -0.34 -0.04 2.12 1.80 2dc0A1 VAL 355 HG13 0.16 0.04 -0.18 -0.04 0.97 0.95 2dc0A1 VAL 355 HG23 0.07 0.01 -0.16 -0.04 0.95 0.83 2dc0A1 GLN 356 H 0.11 0.17 -0.04 -0.55 8.47 8.16 2dc0A1 GLN 356 HA 0.17 0.20 0.66 -0.75 4.36 4.62 2dc0A1 GLN 356 HB2 0.46 0.10 0.08 -0.04 2.15 2.75 2dc0A1 GLN 356 HB3 0.43 0.06 -0.14 -0.04 2.02 2.33 2dc0A1 GLN 356 HG2 0.19 -0.15 0.04 -0.04 2.40 2.45 2dc0A1 GLN 356 HG3 0.15 -0.02 -0.22 -0.04 2.39 2.26 2dc0A1 GLN 356 HE21 0.01 0.15 -0.04 -0.04 6.97 7.05 2dc0A1 GLN 356 HE22 0.03 0.47 0.09 -0.04 7.69 8.24 2dc0A1 PRO 357 HA -0.08 0.06 0.72 -0.51 4.44 4.64 2dc0A1 PRO 357 HB2 -0.22 -0.17 0.04 -0.04 2.28 1.88 2dc0A1 PRO 357 HB3 -0.21 0.40 0.25 -0.04 2.02 2.41 2dc0A1 PRO 357 HG2 -0.75 -0.02 -0.06 -0.04 2.03 1.16 2dc0A1 PRO 357 HG3 -0.66 0.12 -0.10 -0.04 2.03 1.36 2dc0A1 PRO 357 HD2 -0.27 0.11 0.20 -0.04 3.68 3.68 2dc0A1 PRO 357 HD3 -0.19 0.23 0.14 -0.04 3.65 3.80 2dc0A1 LEU 358 H 0.01 0.31 -0.06 -0.55 8.37 8.08 2dc0A1 LEU 358 HA -0.01 0.00 0.65 -0.75 4.35 4.24 2dc0A1 LEU 358 HB2 0.09 0.06 -0.09 -0.04 1.64 1.66 2dc0A1 LEU 358 HB3 0.02 0.09 0.06 -0.04 1.64 1.77 2dc0A1 LEU 358 HG -0.15 -0.10 -0.64 -0.04 1.64 0.71 2dc0A1 LEU 358 HD13 -0.12 0.01 -0.15 -0.04 0.93 0.62 2dc0A1 LEU 358 HD23 -0.04 0.02 0.10 -0.04 0.89 0.93 2dc0A1 PRO 359 HA -0.11 0.21 0.50 -0.51 4.44 4.53 2dc0A1 PRO 359 HB2 -0.09 0.18 0.03 -0.04 2.28 2.36 2dc0A1 PRO 359 HB3 -0.06 -0.04 0.08 -0.04 2.02 1.95 2dc0A1 PRO 359 HG2 -0.04 0.07 -0.10 -0.04 2.03 1.91 2dc0A1 PRO 359 HG3 -0.04 -0.05 -0.13 -0.04 2.03 1.77 2dc0A1 PRO 359 HD2 -0.01 0.00 0.16 -0.04 3.68 3.79 2dc0A1 PRO 359 HD3 -0.02 0.01 0.05 -0.04 3.65 3.65 2dc0A1 ALA 360 H -0.40 0.25 0.18 -0.55 8.40 7.87 2dc0A1 ALA 360 HA -1.23 0.01 0.40 -0.75 4.34 2.77 2dc0A1 ALA 360 HB3 -0.42 0.04 0.13 -0.04 1.41 1.11 2dc0A1 PRO 361 HA -0.02 0.14 0.63 -0.51 4.44 4.68 2dc0A1 PRO 361 HB2 0.09 0.02 0.09 -0.04 2.28 2.44 2dc0A1 PRO 361 HB3 0.10 -0.02 0.07 -0.04 2.02 2.13 2dc0A1 PRO 361 HG2 0.09 0.01 0.02 -0.04 2.03 2.11 2dc0A1 PRO 361 HG3 0.11 -0.05 0.02 -0.04 2.03 2.07 2dc0A1 PRO 361 HD2 -0.31 0.07 0.20 -0.04 3.68 3.60 2dc0A1 PRO 361 HD3 -0.33 0.20 0.14 -0.04 3.65 3.63 2dc0A1 PRO 362 HA 0.00 0.25 0.57 -0.51 4.44 4.75 2dc0A1 PRO 362 HB2 0.02 -0.04 0.02 -0.04 2.28 2.24 2dc0A1 PRO 362 HB3 0.01 0.07 0.13 -0.04 2.02 2.18 2dc0A1 PRO 362 HG2 0.01 -0.03 0.08 -0.04 2.03 2.05 2dc0A1 PRO 362 HG3 0.00 0.07 0.06 -0.04 2.03 2.12 2dc0A1 PRO 362 HD2 0.03 0.02 0.20 -0.04 3.68 3.89 2dc0A1 PRO 362 HD3 0.00 0.16 0.20 -0.04 3.65 3.98 2dc0A1 LEU 363 H 0.01 0.52 0.26 -0.55 8.37 8.61 2dc0A1 LEU 363 HA -0.00 -0.00 0.40 -0.75 4.35 3.99 2dc0A1 LEU 363 HB2 -0.00 0.00 0.08 -0.04 1.64 1.68 2dc0A1 LEU 363 HB3 -0.01 -0.08 0.00 -0.04 1.64 1.51 2dc0A1 LEU 363 HG 0.01 0.10 -0.32 -0.04 1.64 1.39 2dc0A1 LEU 363 HD13 0.01 0.02 -0.06 -0.04 0.93 0.86 2dc0A1 LEU 363 HD23 0.01 -0.00 -0.12 -0.04 0.89 0.74 2dc0A1 GLY 364 H -0.03 0.09 0.13 -0.55 8.43 8.08 2dc0A1 GLY 364 HA2 -0.03 -0.06 0.29 -0.51 4.01 3.70 2dc0A1 GLY 364 HA3 -0.01 0.13 0.46 -0.51 4.01 4.08 2dc0A1 THR 365 H 0.01 0.43 -0.24 -0.55 8.28 7.93 2dc0A1 THR 365 HA 0.04 0.01 0.52 -0.75 4.39 4.21 2dc0A1 THR 365 HB 0.15 -0.01 0.10 -0.04 4.32 4.51 2dc0A1 THR 365 HG23 0.12 -0.05 -0.08 -0.04 1.22 1.17 2dc0A1 GLU 366 H 0.05 0.17 0.28 -0.55 8.60 8.55 2dc0A1 GLU 366 HA 0.06 0.12 0.79 -0.75 4.29 4.50 2dc0A1 GLU 366 HB2 0.03 0.02 0.11 -0.04 2.09 2.21 2dc0A1 GLU 366 HB3 0.04 -0.08 0.11 -0.04 1.99 2.02 2dc0A1 GLU 366 HG2 -0.01 -0.04 -0.11 -0.04 2.34 2.14 2dc0A1 GLU 366 HG3 0.01 0.29 0.01 -0.04 2.34 2.60 2dc0A1 GLU 367 H 0.08 0.20 0.12 -0.55 8.60 8.45 2dc0A1 GLU 367 HA 0.08 0.17 0.94 -0.75 4.29 4.73 2dc0A1 GLU 367 HB2 0.04 -0.00 0.02 -0.04 2.09 2.10 2dc0A1 GLU 367 HB3 0.03 0.02 -0.01 -0.04 1.99 1.99 2dc0A1 GLU 367 HG2 0.04 0.04 -0.17 -0.04 2.34 2.21 2dc0A1 GLU 367 HG3 0.04 -0.05 -0.20 -0.04 2.34 2.08 2dc0A1 VAL 368 H 0.03 0.59 0.26 -0.55 8.24 8.58 2dc0A1 VAL 368 HA 0.05 0.21 0.92 -0.75 4.13 4.56 2dc0A1 VAL 368 HB 0.01 -0.00 0.01 -0.04 2.12 2.09 2dc0A1 VAL 368 HG13 0.23 0.01 -0.30 -0.04 0.97 0.87 2dc0A1 VAL 368 HG23 -0.11 0.03 -0.25 -0.04 0.95 0.58 2dc0A1 GLU 369 H -0.01 0.20 0.10 -0.55 8.60 8.35 2dc0A1 GLU 369 HA -0.03 0.14 0.80 -0.75 4.29 4.45 2dc0A1 GLU 369 HB2 -0.01 -0.01 0.14 -0.04 2.09 2.17 2dc0A1 GLU 369 HB3 -0.02 0.02 -0.02 -0.04 1.99 1.93 2dc0A1 GLU 369 HG2 -0.00 -0.03 -0.14 -0.04 2.34 2.13 2dc0A1 GLU 369 HG3 -0.01 0.01 -0.03 -0.04 2.34 2.27 2dc0A1 LEU 370 H -0.05 0.59 0.11 -0.55 8.37 8.48 2dc0A1 LEU 370 HA -0.08 0.12 0.68 -0.75 4.35 4.32 2dc0A1 LEU 370 HB2 -0.08 0.12 0.02 -0.04 1.64 1.65 2dc0A1 LEU 370 HB3 -0.10 0.05 -0.05 -0.04 1.64 1.50 2dc0A1 LEU 370 HG -0.12 -0.04 -0.23 -0.04 1.64 1.21 2dc0A1 LEU 370 HD13 -0.15 0.01 -0.07 -0.04 0.93 0.67 2dc0A1 LEU 370 HD23 -0.20 0.01 -0.35 -0.04 0.89 0.31 2dc0A1 GLU 371 H -0.06 0.69 0.22 -0.55 8.60 8.92 2dc0A1 GLU 371 HA -0.03 0.00 0.42 -0.75 4.29 3.93 2dc0A1 GLU 371 HB2 -0.02 -0.02 0.12 -0.04 2.09 2.13 2dc0A1 GLU 371 HB3 -0.02 -0.01 0.07 -0.04 1.99 1.99 2dc0A1 GLU 371 HG2 -0.05 0.05 0.03 -0.04 2.34 2.33 2dc0A1 GLU 371 HG3 -0.03 -0.02 -0.08 -0.04 2.34 2.17 2dc0A1 SER 372 H -0.05 0.13 -0.40 -0.55 8.46 7.59 2dc0A1 SER 372 HA -0.03 0.16 0.82 -0.75 4.49 4.69 2dc0A1 SER 372 HB2 -0.04 -0.03 0.16 -0.04 3.95 3.99 2dc0A1 SER 372 HB3 -0.05 -0.10 0.10 -0.04 3.93 3.84 2dc0A1 GLY 373 H -0.04 0.43 -0.21 -0.55 8.43 8.07 2dc0A1 GLY 373 HA2 -0.02 -0.02 0.30 -0.51 4.01 3.76 2dc0A1 GLY 373 HA3 -0.03 0.22 0.95 -0.51 4.01 4.64 2dc0A1 ARG 374 H -0.02 0.07 0.17 -0.55 8.46 8.12 2dc0A1 ARG 374 HA -0.02 0.30 0.62 -0.75 4.34 4.48 2dc0A1 ARG 374 HB2 -0.01 -0.03 0.05 -0.04 1.90 1.87 2dc0A1 ARG 374 HB3 -0.00 -0.02 0.05 -0.04 1.80 1.79 2dc0A1 ARG 374 HG2 -0.01 0.00 0.01 -0.04 1.67 1.64 2dc0A1 ARG 374 HG3 -0.01 -0.02 0.09 -0.04 1.67 1.69 2dc0A1 ARG 374 HD2 -0.00 0.00 -0.02 -0.04 3.22 3.16 2dc0A1 ARG 374 HD3 0.00 -0.01 -0.02 -0.04 3.22 3.15 2dc0A1 LYS 375 H -0.02 0.42 0.35 -0.55 8.42 8.61 2dc0A1 LYS 375 HA -0.04 0.07 0.65 -0.75 4.32 4.24 2dc0A1 LYS 375 HB2 -0.08 0.13 -0.35 -0.04 1.87 1.53 2dc0A1 LYS 375 HB3 -0.09 -0.02 -0.09 -0.04 1.79 1.55 2dc0A1 LYS 375 HG2 -0.14 0.04 -0.10 -0.04 1.46 1.23 2dc0A1 LYS 375 HG3 -0.10 -0.13 0.03 -0.04 1.46 1.22 2dc0A1 LYS 375 HD2 -0.07 0.02 0.15 -0.04 1.69 1.75 2dc0A1 LYS 375 HD3 -0.09 0.09 -0.05 -0.04 1.68 1.59 2dc0A1 LYS 375 HE2 -0.13 -0.11 0.01 -0.04 2.99 2.72 2dc0A1 LYS 375 HE3 -0.09 0.01 -0.00 -0.04 2.99 2.86 2dc0A1 GLY 376 H -0.02 0.12 0.15 -0.55 8.43 8.13 2dc0A1 GLY 376 HA2 0.06 0.20 0.61 -0.51 4.01 4.37 2dc0A1 GLY 376 HA3 0.04 -0.02 0.39 -0.51 4.01 3.92 2dc0A1 HIS 377 H 0.20 0.63 0.29 -0.55 8.41 9.00 2dc0A1 HIS 377 HA 0.22 0.09 0.28 -0.75 4.63 4.47 2dc0A1 HIS 377 HB2 0.13 0.10 -0.07 -0.04 3.26 3.38 2dc0A1 HIS 377 HB3 0.11 -0.12 0.16 -0.04 3.20 3.31 2dc0A1 HIS 377 HD2 0.12 0.09 -0.05 -0.04 6.97 7.08 2dc0A1 HIS 377 HE1 -0.12 0.02 -0.19 -0.04 7.75 7.42 2dc0A1 ARG 378 H 0.25 0.11 -0.07 -0.55 8.46 8.20 2dc0A1 ARG 378 HA 0.31 0.10 0.31 -0.75 4.34 4.30 2dc0A1 ARG 378 HB2 0.17 0.02 0.07 -0.04 1.90 2.13 2dc0A1 ARG 378 HB3 0.19 -0.05 0.07 -0.04 1.80 1.96 2dc0A1 ARG 378 HG2 0.32 0.01 -0.29 -0.04 1.67 1.67 2dc0A1 ARG 378 HG3 0.18 -0.00 -0.06 -0.04 1.67 1.75 2dc0A1 ARG 378 HD2 0.10 -0.01 -0.04 -0.04 3.22 3.24 2dc0A1 ARG 378 HD3 0.16 0.01 -0.05 -0.04 3.22 3.30 2dc0A1 GLU 379 H 0.05 0.07 -0.20 -0.55 8.60 7.97 2dc0A1 GLU 379 HA -0.16 0.03 0.37 -0.75 4.29 3.78 2dc0A1 GLU 379 HB2 -0.43 -0.04 0.06 -0.04 2.09 1.64 2dc0A1 GLU 379 HB3 -0.21 0.05 0.04 -0.04 1.99 1.83 2dc0A1 GLU 379 HG2 -0.36 0.10 -0.14 -0.04 2.34 1.89 2dc0A1 GLU 379 HG3 -0.96 -0.04 0.07 -0.04 2.34 1.37 2dc0A1 ALA 380 H -0.07 0.42 -0.33 -0.55 8.40 7.88 2dc0A1 ALA 380 HA -0.22 0.08 0.46 -0.75 4.34 3.90 2dc0A1 ALA 380 HB3 -0.30 0.01 -0.04 -0.04 1.41 1.04 2dc0A1 PHE 381 H 0.06 0.52 -0.10 -0.55 8.34 8.26 2dc0A1 PHE 381 HA -0.02 0.18 0.81 -0.75 4.62 4.84 2dc0A1 PHE 381 HB2 -0.13 0.04 0.03 -0.04 3.15 3.05 2dc0A1 PHE 381 HB3 -0.00 -0.01 0.10 -0.04 3.06 3.11 2dc0A1 PHE 381 HD2 -0.34 0.06 0.05 -0.04 7.28 7.01 2dc0A1 PHE 381 HE2 -0.12 0.07 -0.07 -0.04 7.38 7.22 2dc0A1 PHE 381 HZ -0.10 0.09 -0.11 -0.04 7.32 7.16 2dc0A1 ILE 382 H 0.09 0.30 -0.06 -0.55 8.25 8.02 2dc0A1 ILE 382 HA 0.04 0.23 1.01 -0.75 4.18 4.71 2dc0A1 ILE 382 HB 0.12 -0.00 0.01 -0.04 1.89 1.98 2dc0A1 ILE 382 HG12 -0.01 -0.08 -0.03 -0.04 1.49 1.33 2dc0A1 ILE 382 HG13 -0.16 0.01 0.14 -0.04 1.21 1.15 2dc0A1 ILE 382 HG23 0.24 -0.01 -0.15 -0.04 0.93 0.97 2dc0A1 ILE 382 HD13 -0.01 -0.04 -0.08 -0.04 0.88 0.71 2dc0A1 THR 383 H 0.01 0.32 0.00 -0.55 8.28 8.06 2dc0A1 THR 383 HA 0.09 -0.04 0.33 -0.75 4.39 4.01 2dc0A1 THR 383 HB -0.11 0.13 0.11 -0.04 4.32 4.41 2dc0A1 THR 383 HG23 -0.09 -0.02 -0.04 -0.04 1.22 1.03 2dc0A1 LEU 384 H 0.02 0.15 -0.34 -0.55 8.37 7.65 2dc0A1 LEU 384 HA 0.29 0.08 0.35 -0.75 4.35 4.31 2dc0A1 LEU 384 HB2 0.07 0.06 -0.19 -0.04 1.64 1.54 2dc0A1 LEU 384 HB3 0.11 0.14 -0.15 -0.04 1.64 1.71 2dc0A1 LEU 384 HG -0.06 0.01 -0.05 -0.04 1.64 1.50 2dc0A1 LEU 384 HD13 -0.04 0.02 -0.35 -0.04 0.93 0.51 2dc0A1 LEU 384 HD23 -0.05 0.00 -0.14 -0.04 0.89 0.66 2dc0A1 THR 385 H 0.05 0.14 -0.33 -0.55 8.28 7.60 2dc0A1 THR 385 HA 0.23 0.21 0.88 -0.75 4.39 4.95 2dc0A1 THR 385 HB 0.03 -0.19 -0.04 -0.04 4.32 4.08 2dc0A1 THR 385 HG23 0.08 0.01 -0.06 -0.04 1.22 1.20 2dc0A1 LEU 386 H -0.11 0.59 0.12 -0.55 8.37 8.42 2dc0A1 LEU 386 HA -0.26 -0.09 0.27 -0.75 4.35 3.52 2dc0A1 LEU 386 HB2 -1.03 -0.10 0.10 -0.04 1.64 0.57 2dc0A1 LEU 386 HB3 -0.57 0.06 0.18 -0.04 1.64 1.28 2dc0A1 LEU 386 HG -0.09 0.20 0.03 -0.04 1.64 1.74 2dc0A1 LEU 386 HD13 -0.08 -0.03 -0.31 -0.04 0.93 0.48 2dc0A1 LEU 386 HD23 -0.08 -0.06 -0.13 -0.04 0.89 0.58 2dc0A1 PRO 387 HA -0.25 0.01 0.39 -0.51 4.44 4.08 2dc0A1 PRO 387 HB2 -1.55 0.07 -0.07 -0.04 2.28 0.69 2dc0A1 PRO 387 HB3 -0.54 -0.03 0.01 -0.04 2.02 1.42 2dc0A1 PRO 387 HG2 -0.46 0.14 -0.04 -0.04 2.03 1.62 2dc0A1 PRO 387 HG3 -0.16 -0.07 -0.02 -0.04 2.03 1.73 2dc0A1 PRO 387 HD2 -0.45 0.22 -0.60 -0.04 3.68 2.81 2dc0A1 PRO 387 HD3 -0.13 0.16 -0.21 -0.04 3.65 3.43 2dc0A1 PHE 388 H -0.74 0.41 -0.22 -0.55 8.34 7.24 2dc0A1 PHE 388 HA -0.04 0.02 0.41 -0.75 4.62 4.26 2dc0A1 PHE 388 HB2 -0.08 0.06 -0.04 -0.04 3.15 3.06 2dc0A1 PHE 388 HB3 -0.06 0.06 -0.06 -0.04 3.06 2.96 2dc0A1 PHE 388 HD2 -0.06 0.03 -0.05 -0.04 7.28 7.16 2dc0A1 PHE 388 HE2 -0.09 0.16 -0.04 -0.04 7.38 7.37 2dc0A1 PHE 388 HZ -0.24 -0.01 -0.09 -0.04 7.32 6.94 2dc0A1 SER 389 H -0.05 0.23 -0.26 -0.55 8.46 7.84 2dc0A1 SER 389 HA -0.19 0.14 0.52 -0.75 4.49 4.21 2dc0A1 SER 389 HB2 0.04 0.22 -0.14 -0.04 3.95 4.03 2dc0A1 SER 389 HB3 -0.14 -0.15 -0.24 -0.04 3.93 3.36 2dc0A1 LEU 390 H -0.00 0.54 -0.03 -0.55 8.37 8.33 2dc0A1 LEU 390 HA 0.15 0.00 0.42 -0.75 4.35 4.17 2dc0A1 LEU 390 HB2 0.15 -0.01 0.13 -0.04 1.64 1.87 2dc0A1 LEU 390 HB3 -0.01 0.10 0.18 -0.04 1.64 1.86 2dc0A1 LEU 390 HG 0.03 0.03 -0.21 -0.04 1.64 1.45 2dc0A1 LEU 390 HD13 0.11 -0.02 0.02 -0.04 0.93 0.99 2dc0A1 LEU 390 HD23 0.04 -0.03 -0.04 -0.04 0.89 0.82 2dc0A1 LEU 391 H 0.02 0.35 -0.32 -0.55 8.37 7.87 2dc0A1 LEU 391 HA 0.05 0.14 0.72 -0.75 4.35 4.50 2dc0A1 LEU 391 HB2 0.05 0.06 0.06 -0.04 1.64 1.76 2dc0A1 LEU 391 HB3 0.09 -0.08 0.13 -0.04 1.64 1.73 2dc0A1 LEU 391 HG -0.03 0.05 -0.04 -0.04 1.64 1.58 2dc0A1 LEU 391 HD13 -0.03 -0.03 -0.09 -0.04 0.93 0.74 2dc0A1 LEU 391 HD23 0.00 0.01 -0.06 -0.04 0.89 0.80 2dc0A1 GLY 392 H 0.15 0.28 -0.51 -0.55 8.43 7.81 2dc0A1 GLY 392 HA2 0.43 0.10 0.35 -0.51 4.01 4.37 2dc0A1 GLY 392 HA3 0.19 -0.02 0.40 -0.51 4.01 4.07 2dc0A1 VAL 393 H 0.07 0.22 -0.13 -0.55 8.24 7.85 2dc0A1 VAL 393 HA -0.23 -0.04 0.60 -0.75 4.13 3.71 2dc0A1 VAL 393 HB 0.04 0.36 -0.02 -0.04 2.12 2.46 2dc0A1 VAL 393 HG13 0.16 -0.04 -0.06 -0.04 0.97 0.98 2dc0A1 VAL 393 HG23 0.16 -0.01 -0.08 -0.04 0.95 0.98 2dc0A1 PRO 394 HA -0.16 0.34 0.35 -0.51 4.44 4.46 2dc0A1 PRO 394 HB2 0.22 0.02 -0.10 -0.04 2.28 2.39 2dc0A1 PRO 394 HB3 0.06 -0.18 0.05 -0.04 2.02 1.90 2dc0A1 PRO 394 HG2 0.05 -0.01 -0.08 -0.04 2.03 1.95 2dc0A1 PRO 394 HG3 0.06 -0.18 -0.21 -0.04 2.03 1.66 2dc0A1 PRO 394 HD2 -0.03 0.20 -0.22 -0.04 3.68 3.59 2dc0A1 PRO 394 HD3 -0.12 -0.13 0.21 -0.04 3.65 3.57 2dc0A1 THR 395 H -0.20 0.71 0.28 -0.55 8.28 8.53 2dc0A1 THR 395 HA 0.01 0.31 1.05 -0.75 4.39 4.99 2dc0A1 THR 395 HB -0.06 -0.10 0.02 -0.04 4.32 4.15 2dc0A1 THR 395 HG23 -0.13 0.00 -0.22 -0.04 1.22 0.83 2dc0A1 LEU 396 H 0.10 0.62 0.31 -0.55 8.37 8.86 2dc0A1 LEU 396 HA 0.34 0.16 1.00 -0.75 4.35 5.09 2dc0A1 LEU 396 HB2 0.21 -0.06 -0.08 -0.04 1.64 1.66 2dc0A1 LEU 396 HB3 0.10 0.02 0.09 -0.04 1.64 1.81 2dc0A1 LEU 396 HG 0.08 0.07 -0.41 -0.04 1.64 1.35 2dc0A1 LEU 396 HD13 0.07 0.01 -0.13 -0.04 0.93 0.85 2dc0A1 LEU 396 HD23 0.01 -0.01 -0.12 -0.04 0.89 0.73 2dc0A1 ALA 397 H 0.13 0.69 0.36 -0.55 8.40 9.03 2dc0A1 ALA 397 HA 0.06 0.43 0.99 -0.75 4.34 5.06 2dc0A1 ALA 397 HB3 0.07 -0.04 0.05 -0.04 1.41 1.45 2dc0A1 LEU 398 H 0.08 0.54 0.27 -0.55 8.37 8.72 2dc0A1 LEU 398 HA 0.08 0.23 0.64 -0.75 4.35 4.54 2dc0A1 LEU 398 HB2 0.07 0.15 -0.04 -0.04 1.64 1.78 2dc0A1 LEU 398 HB3 0.06 -0.08 -0.07 -0.04 1.64 1.51 2dc0A1 LEU 398 HG 0.05 -0.08 -0.24 -0.04 1.64 1.34 2dc0A1 LEU 398 HD13 0.05 0.06 -0.11 -0.04 0.93 0.89 2dc0A1 LEU 398 HD23 0.05 0.00 -0.09 -0.04 0.89 0.82 2dc0A1 PRO 399 HA 0.13 0.02 0.47 -0.51 4.44 4.54 2dc0A1 PRO 399 HB2 0.05 0.11 -0.01 -0.04 2.28 2.39 2dc0A1 PRO 399 HB3 0.04 0.00 0.05 -0.04 2.02 2.07 2dc0A1 PRO 399 HG2 0.04 0.20 -0.16 -0.04 2.03 2.08 2dc0A1 PRO 399 HG3 0.06 0.01 -0.27 -0.04 2.03 1.79 2dc0A1 PRO 399 HD2 0.06 0.07 0.03 -0.04 3.68 3.80 2dc0A1 PRO 399 HD3 0.07 0.19 -0.14 -0.04 3.65 3.72 2dc0A1 PHE 400 H 0.10 0.32 0.43 -0.55 8.34 8.64 2dc0A1 PHE 400 HA 0.01 0.17 0.79 -0.75 4.62 4.84 2dc0A1 PHE 400 HB2 0.03 -0.00 0.05 -0.04 3.15 3.18 2dc0A1 PHE 400 HB3 0.03 0.04 -0.25 -0.04 3.06 2.84 2dc0A1 PHE 400 HD2 0.05 -0.01 -0.30 -0.04 7.28 6.97 2dc0A1 PHE 400 HE2 0.09 0.06 -0.36 -0.04 7.38 7.12 2dc0A1 PHE 400 HZ 0.14 -0.04 -0.16 -0.04 7.32 7.22 2dc0A1 ALA 401 H -0.34 0.29 0.36 -0.55 8.40 8.16 2dc0A1 ALA 401 HA -0.26 0.14 0.59 -0.75 4.34 4.05 2dc0A1 ALA 401 HB3 -0.79 0.02 -0.09 -0.04 1.41 0.51 2dc0A1 LYS 402 H -0.16 0.26 0.15 -0.55 8.42 8.11 2dc0A1 LYS 402 HA -0.09 0.20 0.77 -0.75 4.32 4.44 2dc0A1 LYS 402 HB2 -0.06 -0.03 0.03 -0.04 1.87 1.77 2dc0A1 LYS 402 HB3 -0.05 -0.06 -0.09 -0.04 1.79 1.55 2dc0A1 LYS 402 HG2 -0.07 -0.07 -0.47 -0.04 1.46 0.80 2dc0A1 LYS 402 HG3 -0.04 0.01 -0.12 -0.04 1.46 1.26 2dc0A1 LYS 402 HD2 -0.04 0.03 -0.27 -0.04 1.69 1.38 2dc0A1 LYS 402 HD3 -0.05 0.07 -0.12 -0.04 1.68 1.54 2dc0A1 LYS 402 HE2 -0.03 -0.03 -0.12 -0.04 2.99 2.77 2dc0A1 LYS 402 HE3 -0.02 -0.04 -0.09 -0.04 2.99 2.79 2dc0A1 VAL 403 H -0.06 0.43 0.05 -0.55 8.24 8.11 2dc0A1 VAL 403 HA -0.04 0.10 0.77 -0.75 4.13 4.21 2dc0A1 VAL 403 HB -0.05 0.08 -0.02 -0.04 2.12 2.09 2dc0A1 VAL 403 HG13 -0.03 -0.01 -0.09 -0.04 0.97 0.80 2dc0A1 VAL 403 HG23 -0.06 -0.02 -0.35 -0.04 0.95 0.49 2dc0A1 GLU 404 H -0.03 0.14 0.10 -0.55 8.60 8.27 2dc0A1 GLU 404 HA -0.02 0.01 0.35 -0.75 4.29 3.88 2dc0A1 GLU 404 HB2 -0.03 0.26 -0.17 -0.04 2.09 2.11 2dc0A1 GLU 404 HB3 -0.02 0.05 0.21 -0.04 1.99 2.18 2dc0A1 GLU 404 HG2 -0.02 -0.00 0.04 -0.04 2.34 2.32 2dc0A1 GLU 404 HG3 -0.02 -0.12 -0.08 -0.04 2.34 2.08 2dc0A1 GLY 405 H -0.03 -0.04 -0.51 -0.55 8.43 7.30 2dc0A1 GLY 405 HA2 -0.02 0.01 0.05 -0.51 4.01 3.54 2dc0A1 GLY 405 HA3 -0.02 0.13 0.10 -0.51 4.01 3.71 2dc0A1 PRO 407 HA -0.03 -0.03 0.34 -0.51 4.44 4.20 2dc0A1 PRO 407 HB2 0.04 0.19 -0.11 -0.04 2.28 2.35 2dc0A1 PRO 407 HB3 0.02 -0.07 0.02 -0.04 2.02 1.95 2dc0A1 PRO 407 HG2 0.01 0.04 -0.21 -0.04 2.03 1.83 2dc0A1 PRO 407 HG3 -0.01 -0.03 0.08 -0.04 2.03 2.03 2dc0A1 PRO 407 HD2 -0.02 0.15 0.11 -0.04 3.68 3.88 2dc0A1 PRO 407 HD3 -0.02 0.02 0.13 -0.04 3.65 3.73 2dc0A1 VAL 408 H -0.06 0.46 0.24 -0.55 8.24 8.34 2dc0A1 VAL 408 HA 0.05 0.17 0.74 -0.75 4.13 4.34 2dc0A1 VAL 408 HB -0.29 -0.12 -0.09 -0.04 2.12 1.57 2dc0A1 VAL 408 HG13 0.11 0.02 -0.18 -0.04 0.97 0.88 2dc0A1 VAL 408 HG23 -0.07 -0.02 -0.36 -0.04 0.95 0.45 2dc0A1 GLY 409 H 0.18 0.12 0.05 -0.55 8.43 8.23 2dc0A1 GLY 409 HA2 0.24 0.18 0.69 -0.51 4.01 4.61 2dc0A1 GLY 409 HA3 0.17 0.04 0.21 -0.51 4.01 3.93 2dc0A1 LEU 410 H 0.17 0.76 0.31 -0.55 8.37 9.07 2dc0A1 LEU 410 HA -0.11 0.05 0.90 -0.75 4.35 4.44 2dc0A1 LEU 410 HB2 -0.50 -0.04 -0.12 -0.04 1.64 0.94 2dc0A1 LEU 410 HB3 -0.02 0.09 0.01 -0.04 1.64 1.67 2dc0A1 LEU 410 HG -0.15 0.13 -0.34 -0.04 1.64 1.24 2dc0A1 LEU 410 HD13 -0.43 -0.02 -0.18 -0.04 0.93 0.26 2dc0A1 LEU 410 HD23 -0.20 -0.00 -0.16 -0.04 0.89 0.49 2dc0A1 GLN 411 H -0.11 0.68 0.23 -0.55 8.47 8.73 2dc0A1 GLN 411 HA -0.02 0.39 1.05 -0.75 4.36 5.02 2dc0A1 GLN 411 HB2 -0.10 0.19 0.03 -0.04 2.15 2.23 2dc0A1 GLN 411 HB3 -0.17 -0.05 -0.15 -0.04 2.02 1.61 2dc0A1 GLN 411 HG2 0.00 -0.02 -0.16 -0.04 2.40 2.18 2dc0A1 GLN 411 HG3 0.01 -0.12 -0.31 -0.04 2.39 1.93 2dc0A1 GLN 411 HE21 0.27 0.37 -0.18 -0.04 6.97 7.39 2dc0A1 GLN 411 HE22 0.07 0.26 -0.21 -0.04 7.69 7.76 2dc0A1 VAL 412 H -0.03 0.57 0.28 -0.55 8.24 8.52 2dc0A1 VAL 412 HA -0.04 0.31 0.91 -0.75 4.13 4.55 2dc0A1 VAL 412 HB 0.05 -0.14 0.15 -0.04 2.12 2.14 2dc0A1 VAL 412 HG13 0.10 0.00 -0.15 -0.04 0.97 0.88 2dc0A1 VAL 412 HG23 -0.00 0.02 -0.23 -0.04 0.95 0.69 2dc0A1 VAL 413 H -0.10 0.69 0.23 -0.55 8.24 8.51 2dc0A1 VAL 413 HA -0.14 0.24 1.04 -0.75 4.13 4.51 2dc0A1 VAL 413 HB -0.28 -0.12 0.10 -0.04 2.12 1.77 2dc0A1 VAL 413 HG13 -0.25 0.02 -0.19 -0.04 0.97 0.52 2dc0A1 VAL 413 HG23 -1.00 0.01 -0.22 -0.04 0.95 -0.31 2dc0A1 GLY 414 H -0.00 0.64 0.25 -0.55 8.43 8.77 2dc0A1 GLY 414 HA2 0.01 0.22 0.97 -0.51 4.01 4.71 2dc0A1 GLY 414 HA3 0.04 -0.01 0.34 -0.51 4.01 3.86 2dc0A1 ALA 415 H 0.04 0.15 0.16 -0.55 8.40 8.20 2dc0A1 ALA 415 HA 0.08 0.09 0.48 -0.75 4.34 4.24 2dc0A1 ALA 415 HB3 0.06 0.02 0.09 -0.04 1.41 1.54 2dc0A1 TYR 416 H 0.21 0.12 0.16 -0.55 8.29 8.23 2dc0A1 TYR 416 HA 0.07 0.05 0.46 -0.75 4.56 4.39 2dc0A1 TYR 416 HB2 0.04 0.01 0.18 -0.04 3.06 3.25 2dc0A1 TYR 416 HB3 0.04 -0.02 0.10 -0.04 2.98 3.06 2dc0A1 TYR 416 HD2 0.06 0.00 -0.06 -0.04 7.15 7.10 2dc0A1 TYR 416 HE2 0.07 0.10 0.05 -0.04 6.85 7.02 2dc0A1 GLY 417 H -0.06 0.15 0.27 -0.55 8.43 8.23 2dc0A1 GLY 417 HA2 0.10 0.00 0.44 -0.51 4.01 4.04 2dc0A1 GLY 417 HA3 0.16 0.14 0.51 -0.51 4.01 4.32 2dc0A1 GLU 418 H 0.07 0.67 -0.36 -0.55 8.60 8.44 2dc0A1 GLU 418 HA 0.06 0.17 0.86 -0.75 4.29 4.63 2dc0A1 GLU 418 HB2 0.05 0.13 0.16 -0.04 2.09 2.39 2dc0A1 GLU 418 HB3 0.04 -0.11 0.23 -0.04 1.99 2.10 2dc0A1 GLU 418 HG2 0.07 0.14 -0.19 -0.04 2.34 2.32 2dc0A1 GLU 418 HG3 0.03 0.00 0.02 -0.04 2.34 2.36 2dc0A1 ASP 419 H 0.11 0.30 -0.44 -0.55 8.40 7.82 2dc0A1 ASP 419 HA 0.27 0.08 0.32 -0.75 4.63 4.55 2dc0A1 ASP 419 HB2 0.17 0.06 0.04 -0.04 2.71 2.94 2dc0A1 ASP 419 HB3 0.39 0.04 -0.01 -0.04 2.70 3.08 2dc0A1 GLY 420 H 0.08 0.17 -0.13 -0.55 8.43 8.00 2dc0A1 GLY 420 HA2 0.04 0.07 0.36 -0.51 4.01 3.96 2dc0A1 GLY 420 HA3 0.04 0.24 0.27 -0.51 4.01 4.04 2dc0A1 LYS 421 H 0.03 0.13 -0.25 -0.55 8.42 7.77 2dc0A1 LYS 421 HA -0.01 0.06 0.44 -0.75 4.32 4.05 2dc0A1 LYS 421 HB2 0.00 -0.05 0.12 -0.04 1.87 1.90 2dc0A1 LYS 421 HB3 0.02 0.14 0.14 -0.04 1.79 2.05 2dc0A1 LYS 421 HG2 -0.03 0.04 -0.09 -0.04 1.46 1.34 2dc0A1 LYS 421 HG3 -0.04 -0.03 0.06 -0.04 1.46 1.41 2dc0A1 LYS 421 HD2 -0.02 -0.06 0.06 -0.04 1.69 1.63 2dc0A1 LYS 421 HD3 -0.01 0.05 0.10 -0.04 1.68 1.78 2dc0A1 LYS 421 HE2 -0.06 0.02 0.10 -0.04 2.99 3.01 2dc0A1 LYS 421 HE3 -0.08 0.06 0.14 -0.04 2.99 3.06 2dc0A1 VAL 422 H 0.05 0.44 -0.16 -0.55 8.24 8.03 2dc0A1 VAL 422 HA 0.05 0.08 0.34 -0.75 4.13 3.84 2dc0A1 VAL 422 HB 0.14 0.05 0.05 -0.04 2.12 2.33 2dc0A1 VAL 422 HG13 0.15 -0.01 -0.25 -0.04 0.97 0.81 2dc0A1 VAL 422 HG23 0.09 0.08 -0.07 -0.04 0.95 1.01 2dc0A1 LEU 423 H -0.07 0.59 -0.15 -0.55 8.37 8.19 2dc0A1 LEU 423 HA -0.17 -0.01 0.35 -0.75 4.35 3.77 2dc0A1 LEU 423 HB2 -0.11 0.13 0.11 -0.04 1.64 1.73 2dc0A1 LEU 423 HB3 -0.14 -0.08 -0.03 -0.04 1.64 1.35 2dc0A1 LEU 423 HG -0.65 0.08 -0.01 -0.04 1.64 1.02 2dc0A1 LEU 423 HD13 -0.13 -0.03 -0.12 -0.04 0.93 0.60 2dc0A1 LEU 423 HD23 -0.72 -0.02 -0.12 -0.04 0.89 -0.01 2dc0A1 ALA 424 H -0.04 0.54 -0.25 -0.55 8.40 8.10 2dc0A1 ALA 424 HA -0.02 -0.02 0.42 -0.75 4.34 3.96 2dc0A1 ALA 424 HB3 -0.03 0.04 0.08 -0.04 1.41 1.46 2dc0A1 LEU 425 H 0.03 0.65 -0.12 -0.55 8.37 8.38 2dc0A1 LEU 425 HA 0.14 0.01 0.39 -0.75 4.35 4.13 2dc0A1 LEU 425 HB2 0.11 0.12 0.07 -0.04 1.64 1.90 2dc0A1 LEU 425 HB3 0.28 -0.05 -0.06 -0.04 1.64 1.78 2dc0A1 LEU 425 HG -0.04 0.09 0.04 -0.04 1.64 1.69 2dc0A1 LEU 425 HD13 -0.01 -0.02 -0.20 -0.04 0.93 0.67 2dc0A1 LEU 425 HD23 -0.26 -0.02 -0.05 -0.04 0.89 0.51 2dc0A1 GLY 426 H 0.06 0.51 -0.36 -0.55 8.43 8.09 2dc0A1 GLY 426 HA2 0.10 0.05 0.35 -0.51 4.01 3.99 2dc0A1 GLY 426 HA3 0.04 0.03 0.23 -0.51 4.01 3.80 2dc0A1 GLY 427 H 0.06 0.53 -0.22 -0.55 8.43 8.25 2dc0A1 GLY 427 HA2 0.04 -0.09 0.41 -0.51 4.01 3.86 2dc0A1 GLY 427 HA3 0.05 0.05 0.28 -0.51 4.01 3.87 2dc0A1 TRP 428 H 0.29 0.46 -0.24 -0.55 7.97 7.93 2dc0A1 TRP 428 HA 0.02 0.01 0.37 -0.75 4.62 4.27 2dc0A1 TRP 428 HB2 0.03 0.00 0.09 -0.04 3.23 3.31 2dc0A1 TRP 428 HB3 0.09 0.13 0.11 -0.04 3.23 3.51 2dc0A1 TRP 428 HD1 0.01 -0.05 0.01 -0.04 7.22 7.16 2dc0A1 TRP 428 HE1 0.02 0.01 -0.02 -0.04 10.20 10.17 2dc0A1 TRP 428 HE3 0.16 0.04 -0.29 -0.04 7.59 7.46 2dc0A1 TRP 428 HZ2 0.04 0.26 -0.03 -0.04 7.44 7.67 2dc0A1 TRP 428 HZ3 0.16 -0.03 -0.14 -0.04 7.13 7.08 2dc0A1 TRP 428 HH2 0.10 0.02 -0.19 -0.04 7.19 7.08 2dc0A1 LEU 429 H 0.35 0.51 -0.22 -0.55 8.37 8.46 2dc0A1 LEU 429 HA 0.02 0.07 0.36 -0.75 4.35 4.05 2dc0A1 LEU 429 HB2 0.13 0.06 0.10 -0.04 1.64 1.88 2dc0A1 LEU 429 HB3 0.06 -0.02 -0.11 -0.04 1.64 1.52 2dc0A1 LEU 429 HG 0.53 0.04 -0.04 -0.04 1.64 2.13 2dc0A1 LEU 429 HD13 -0.10 -0.02 -0.17 -0.04 0.93 0.59 2dc0A1 LEU 429 HD23 0.02 -0.01 -0.10 -0.04 0.89 0.75 2dc0A1 GLU 430 H 0.05 0.65 -0.10 -0.55 8.60 8.66 2dc0A1 GLU 430 HA 0.01 0.07 0.34 -0.75 4.29 3.96 2dc0A1 GLU 430 HB2 0.03 0.03 0.10 -0.04 2.09 2.21 2dc0A1 GLU 430 HB3 0.01 0.04 0.15 -0.04 1.99 2.15 2dc0A1 GLU 430 HG2 -0.00 0.05 -0.18 -0.04 2.34 2.17 2dc0A1 GLU 430 HG3 0.02 0.08 0.03 -0.04 2.34 2.42 2dc0A1 ALA 431 H -0.08 0.45 -0.34 -0.55 8.40 7.89 2dc0A1 ALA 431 HA -0.08 -0.00 0.45 -0.75 4.34 3.96 2dc0A1 ALA 431 HB3 -0.14 0.00 0.09 -0.04 1.41 1.32 2dc0A1 ARG 432 H -0.19 0.42 -0.61 -0.55 8.46 7.54 2dc0A1 ARG 432 HA -0.17 0.13 0.91 -0.75 4.34 4.45 2dc0A1 ARG 432 HB2 -0.45 0.05 0.08 -0.04 1.90 1.54 2dc0A1 ARG 432 HB3 -0.29 -0.09 0.15 -0.04 1.80 1.53 2dc0A1 ARG 432 HG2 -0.39 -0.04 -0.05 -0.04 1.67 1.15 2dc0A1 ARG 432 HG3 -0.58 -0.03 -0.29 -0.04 1.67 0.73 2dc0A1 ARG 432 HD2 -2.37 0.03 -0.07 -0.04 3.22 0.77 2dc0A1 ARG 432 HD3 -0.84 -0.03 0.00 -0.04 3.22 2.31 2dc0A1 LEU 433 H -0.06 0.25 -0.15 -0.55 8.37 7.86 2dc0A1 LEU 433 HA -0.00 0.12 0.83 -0.75 4.35 4.54 2dc0A1 LEU 433 HB2 0.02 0.07 0.06 -0.04 1.64 1.76 2dc0A1 LEU 433 HB3 0.07 -0.22 0.22 -0.04 1.64 1.66 2dc0A1 LEU 433 HG 0.00 0.16 -0.19 -0.04 1.64 1.57 2dc0A1 LEU 433 HD13 0.09 -0.03 -0.13 -0.04 0.93 0.83 2dc0A1 LEU 433 HD23 0.10 -0.00 0.00 -0.04 0.89 0.96 2dc0A1 GLY 434 H 0.03 0.18 -0.00 -0.55 8.43 8.09 2dc0A1 GLY 434 HA2 -0.01 0.26 0.67 -0.51 4.01 4.42 2dc0A1 GLY 434 HA3 -0.01 0.00 0.08 -0.51 4.01 3.57