============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 40 rings ring int. center anis. iso. TYR 9 0.840 19.685 12.689 19.598 -99.200 -91.000 TYR 29 0.840 23.356 8.577 19.135 -99.200 -91.000 PHE 35 1.000 30.485 13.405 8.876 -99.200 -91.000 PHE 48 1.000 22.289 22.165 18.119 -99.200 -91.000 HIS 55 0.900 10.165 29.205 5.423 -99.200 -91.000 PHE 61 1.000 21.816 18.241 11.741 -99.200 -91.000 HIS 69 0.900 38.050 15.138 10.761 -99.200 -91.000 TYR 73 0.840 26.901 14.300 -1.812 -99.200 -91.000 PHE 82 1.000 21.476 12.963 0.479 -99.200 -91.000 HIS 87 0.900 19.202 16.229 -11.093 -99.200 -91.000 HIS 99 0.900 37.723 23.373 -11.174 -99.200 -91.000 PHE 105 1.000 35.463 19.728 2.717 -99.200 -91.000 PHE 115 1.000 24.406 15.413 4.030 -99.200 -91.000 TYR 119 0.840 26.696 25.536 5.289 -99.200 -91.000 PHE 121 1.000 32.798 27.185 6.595 -99.200 -91.000 PHE 122 1.000 35.259 29.088 -1.335 -99.200 -91.000 PHE 150 1.000 25.531 37.349 -7.928 -99.200 -91.000 TYR 153 0.840 22.363 46.072 -7.248 -99.200 -91.000 TYR 165 0.840 24.832 17.518 -1.423 -99.200 -91.000 TYR 173 0.840 26.240 31.075 2.962 -99.200 -91.000 PHE 174 1.000 28.164 37.403 -3.437 -99.200 -91.000 HIS 197 0.900 8.220 41.456 1.717 -99.200 -91.000 PHE 206 1.000 18.665 41.370 10.462 -99.200 -91.000 PHE 211 1.000 27.936 37.504 9.713 -99.200 -91.000 TYR 214 0.840 22.546 33.254 3.576 -99.200 -91.000 TRP 219 1.040 23.247 22.980 -11.258 -99.200 -91.000 TRP6 219 1.020 23.403 22.848 -8.900 -99.200 -91.000 PHE 229 1.000 20.117 41.931 2.646 -99.200 -91.000 PHE 250 1.000 12.803 34.342 15.323 -99.200 -91.000 HIS 251 0.900 14.165 37.750 25.365 -99.200 -91.000 TYR 253 0.840 16.610 28.514 19.318 -99.200 -91.000 TYR 259 0.840 25.499 29.292 27.094 -99.200 -91.000 TYR 261 0.840 29.241 29.518 23.313 -99.200 -91.000 TYR 270 0.840 19.062 37.853 16.225 -99.200 -91.000 TYR 280 0.840 12.475 32.336 5.337 -99.200 -91.000 TYR 281 0.840 10.899 38.236 10.088 -99.200 -91.000 TYR 286 0.840 27.206 30.394 15.418 -99.200 -91.000 TYR 287 0.840 26.223 22.247 22.407 -99.200 -91.000 HIS 288 0.900 30.653 22.142 20.371 -99.200 -91.000 PHE 300 1.000 31.156 42.450 10.374 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 1zdyA1 GLU 3 HA 0.01 0.05 0.13 -0.75 4.29 3.73 1zdyA1 GLU 3 HB2 0.02 0.11 0.04 -0.04 2.09 2.23 1zdyA1 GLU 3 HB3 0.03 -0.19 -0.03 -0.04 1.99 1.76 1zdyA1 GLU 3 HG2 0.02 0.07 0.05 -0.04 2.34 2.43 1zdyA1 GLU 3 HG3 0.02 -0.31 0.15 -0.04 2.34 2.16 1zdyA1 ALA 4 H 0.02 0.16 0.10 -0.55 8.40 8.13 1zdyA1 ALA 4 HA 0.03 0.11 0.41 -0.75 4.34 4.13 1zdyA1 ALA 4 HB3 0.04 0.02 0.10 -0.04 1.41 1.52 1zdyA1 ALA 5 H 0.04 0.10 -0.10 -0.55 8.40 7.90 1zdyA1 ALA 5 HA 0.05 0.06 0.38 -0.75 4.34 4.08 1zdyA1 ALA 5 HB3 0.04 0.03 0.04 -0.04 1.41 1.47 1zdyA1 ASP 6 H 0.05 0.14 -0.38 -0.55 8.40 7.66 1zdyA1 ASP 6 HA 0.10 0.01 0.40 -0.75 4.63 4.39 1zdyA1 ASP 6 HB2 0.06 0.34 0.07 -0.04 2.71 3.13 1zdyA1 ASP 6 HB3 0.10 0.04 -0.09 -0.04 2.70 2.71 1zdyA1 VAL 7 H 0.02 0.63 -0.11 -0.55 8.24 8.24 1zdyA1 VAL 7 HA -0.05 0.03 0.34 -0.75 4.13 3.69 1zdyA1 VAL 7 HB -0.05 0.12 0.16 -0.04 2.12 2.31 1zdyA1 VAL 7 HG13 -0.56 -0.04 -0.18 -0.04 0.97 0.16 1zdyA1 VAL 7 HG23 -0.06 0.09 -0.07 -0.04 0.95 0.87 1zdyA1 GLU 8 H 0.07 0.54 -0.15 -0.55 8.60 8.51 1zdyA1 GLU 8 HA 0.22 -0.02 0.39 -0.75 4.29 4.13 1zdyA1 GLU 8 HB2 0.09 0.12 0.14 -0.04 2.09 2.40 1zdyA1 GLU 8 HB3 0.12 -0.05 0.01 -0.04 1.99 2.03 1zdyA1 GLU 8 HG2 0.20 -0.05 0.01 -0.04 2.34 2.46 1zdyA1 GLU 8 HG3 0.13 0.24 0.07 -0.04 2.34 2.74 1zdyA1 ARG 9 H 0.08 0.63 -0.10 -0.55 8.46 8.53 1zdyA1 ARG 9 HA 0.07 -0.01 0.43 -0.75 4.34 4.08 1zdyA1 ARG 9 HB2 0.10 0.01 0.12 -0.04 1.90 2.08 1zdyA1 ARG 9 HB3 0.13 0.11 0.20 -0.04 1.80 2.21 1zdyA1 ARG 9 HG2 0.29 -0.00 -0.22 -0.04 1.67 1.69 1zdyA1 ARG 9 HG3 0.16 -0.04 0.02 -0.04 1.67 1.77 1zdyA1 ARG 9 HD2 0.19 -0.01 -0.00 -0.04 3.22 3.35 1zdyA1 ARG 9 HD3 0.11 -0.02 0.00 -0.04 3.22 3.27 1zdyA1 VAL 10 H 0.07 0.77 -0.06 -0.55 8.24 8.47 1zdyA1 VAL 10 HA -0.12 0.01 0.43 -0.75 4.13 3.69 1zdyA1 VAL 10 HB 0.03 0.10 0.11 -0.04 2.12 2.31 1zdyA1 VAL 10 HG13 0.02 -0.03 -0.14 -0.04 0.97 0.78 1zdyA1 VAL 10 HG23 0.11 0.03 0.02 -0.04 0.95 1.08 1zdyA1 TYR 11 H 0.11 0.65 -0.12 -0.55 8.29 8.38 1zdyA1 TYR 11 HA -0.12 -0.01 0.41 -0.75 4.56 4.09 1zdyA1 TYR 11 HB2 -0.05 0.06 0.08 -0.04 3.06 3.11 1zdyA1 TYR 11 HB3 0.10 0.09 0.11 -0.04 2.98 3.24 1zdyA1 TYR 11 HD2 0.02 0.04 -0.08 -0.04 7.15 7.09 1zdyA1 TYR 11 HE2 -0.00 -0.00 -0.08 -0.04 6.85 6.73 1zdyA1 ALA 12 H 0.04 0.67 -0.15 -0.55 8.40 8.42 1zdyA1 ALA 12 HA -0.15 -0.02 0.42 -0.75 4.34 3.84 1zdyA1 ALA 12 HB3 0.00 0.03 0.11 -0.04 1.41 1.52 1zdyA1 ALA 13 H -0.18 0.46 -0.30 -0.55 8.40 7.84 1zdyA1 ALA 13 HA -0.17 0.04 0.49 -0.75 4.34 3.94 1zdyA1 ALA 13 HB3 -0.49 0.04 0.08 -0.04 1.41 1.00 1zdyA1 MET 14 H -0.42 0.54 -0.13 -0.55 8.47 7.91 1zdyA1 MET 14 HA -1.39 0.01 0.40 -0.75 4.52 2.79 1zdyA1 MET 14 HB2 -0.47 0.09 0.10 -0.04 2.15 1.82 1zdyA1 MET 14 HB3 -0.54 0.11 0.13 -0.04 2.03 1.69 1zdyA1 MET 14 HG2 -0.39 -0.05 -0.13 -0.04 2.63 2.02 1zdyA1 MET 14 HG3 -0.61 -0.01 -0.02 -0.04 2.56 1.89 1zdyA1 MET 14 HE3 -0.32 0.01 -0.12 -0.04 2.10 1.63 1zdyA1 GLU 15 H -0.49 0.56 -0.20 -0.55 8.60 7.92 1zdyA1 GLU 15 HA -0.29 -0.03 0.45 -0.75 4.29 3.67 1zdyA1 GLU 15 HB2 -0.30 0.15 0.16 -0.04 2.09 2.06 1zdyA1 GLU 15 HB3 -0.19 -0.02 0.01 -0.04 1.99 1.75 1zdyA1 GLU 15 HG2 -0.36 -0.11 0.05 -0.04 2.34 1.87 1zdyA1 GLU 15 HG3 -1.02 0.12 0.02 -0.04 2.34 1.42 1zdyA1 GLU 16 H -0.22 0.42 -0.24 -0.55 8.60 8.01 1zdyA1 GLU 16 HA -0.08 0.01 0.45 -0.75 4.29 3.91 1zdyA1 GLU 16 HB2 -0.09 0.07 0.19 -0.04 2.09 2.22 1zdyA1 GLU 16 HB3 -0.10 0.11 0.23 -0.04 1.99 2.19 1zdyA1 GLU 16 HG2 -0.03 0.04 -0.07 -0.04 2.34 2.24 1zdyA1 GLU 16 HG3 -0.03 -0.06 0.06 -0.04 2.34 2.27 1zdyA1 ALA 17 H -0.23 0.58 -0.04 -0.55 8.40 8.17 1zdyA1 ALA 17 HA 0.04 0.06 0.44 -0.75 4.34 4.13 1zdyA1 ALA 17 HB3 -0.08 0.02 0.12 -0.04 1.41 1.42 1zdyA1 ALA 18 H -0.18 0.58 -0.12 -0.55 8.40 8.14 1zdyA1 ALA 18 HA -0.04 -0.02 0.38 -0.75 4.34 3.90 1zdyA1 ALA 18 HB3 -0.10 0.00 0.01 -0.04 1.41 1.28 1zdyA1 GLY 19 H -0.07 0.47 -0.36 -0.55 8.43 7.92 1zdyA1 GLY 19 HA2 -0.03 -0.02 0.40 -0.51 4.01 3.86 1zdyA1 GLY 19 HA3 -0.03 0.07 0.34 -0.51 4.01 3.87 1zdyA1 LEU 20 H 0.02 0.45 -0.25 -0.55 8.37 8.04 1zdyA1 LEU 20 HA 0.03 0.01 0.42 -0.75 4.35 4.06 1zdyA1 LEU 20 HB2 0.20 0.15 0.09 -0.04 1.64 2.04 1zdyA1 LEU 20 HB3 0.13 -0.08 0.03 -0.04 1.64 1.68 1zdyA1 LEU 20 HG 0.02 0.24 0.07 -0.04 1.64 1.93 1zdyA1 LEU 20 HD13 -0.02 0.02 -0.16 -0.04 0.93 0.73 1zdyA1 LEU 20 HD23 0.02 -0.02 -0.04 -0.04 0.89 0.81 1zdyA1 LEU 21 H 0.01 0.33 -0.49 -0.55 8.37 7.67 1zdyA1 LEU 21 HA -0.03 0.12 0.77 -0.75 4.35 4.46 1zdyA1 LEU 21 HB2 -0.05 0.02 0.04 -0.04 1.64 1.61 1zdyA1 LEU 21 HB3 -0.08 0.03 0.13 -0.04 1.64 1.68 1zdyA1 LEU 21 HG -0.06 0.13 -0.05 -0.04 1.64 1.62 1zdyA1 LEU 21 HD13 -0.25 -0.03 -0.04 -0.04 0.93 0.57 1zdyA1 LEU 21 HD23 -0.29 0.00 -0.07 -0.04 0.89 0.50 1zdyA1 GLY 22 H -0.01 0.37 -0.26 -0.55 8.43 7.99 1zdyA1 GLY 22 HA2 -0.01 0.01 0.28 -0.51 4.01 3.78 1zdyA1 GLY 22 HA3 -0.01 0.01 0.46 -0.51 4.01 3.97 1zdyA1 VAL 23 H -0.02 0.55 -0.13 -0.55 8.24 8.09 1zdyA1 VAL 23 HA -0.01 0.14 0.80 -0.75 4.13 4.31 1zdyA1 VAL 23 HB -0.03 -0.04 -0.03 -0.04 2.12 1.98 1zdyA1 VAL 23 HG13 -0.00 -0.05 -0.20 -0.04 0.97 0.68 1zdyA1 VAL 23 HG23 -0.02 0.04 -0.33 -0.04 0.95 0.59 1zdyA1 ALA 24 H -0.00 0.18 0.10 -0.55 8.40 8.14 1zdyA1 ALA 24 HA -0.02 0.15 0.83 -0.75 4.34 4.54 1zdyA1 ALA 24 HB3 0.00 0.01 0.01 -0.04 1.41 1.40 1zdyA1 CYS 25 H -0.03 0.13 0.11 -0.55 8.50 8.16 1zdyA1 CYS 25 HA 0.03 0.13 0.42 -0.75 4.58 4.40 1zdyA1 CYS 25 HB2 -0.01 -0.04 0.04 -0.04 2.97 2.92 1zdyA1 CYS 25 HB3 0.09 -0.01 -0.07 -0.04 2.97 2.94 1zdyA1 ALA 26 H 0.09 0.72 0.25 -0.55 8.40 8.92 1zdyA1 ALA 26 HA 0.07 0.13 0.79 -0.75 4.34 4.57 1zdyA1 ALA 26 HB3 0.08 0.03 0.16 -0.04 1.41 1.63 1zdyA1 ARG 27 H 0.10 0.34 0.03 -0.55 8.46 8.38 1zdyA1 ARG 27 HA 0.04 0.02 0.34 -0.75 4.34 3.99 1zdyA1 ARG 27 HB2 0.07 0.09 0.10 -0.04 1.90 2.12 1zdyA1 ARG 27 HB3 -0.03 0.02 0.10 -0.04 1.80 1.84 1zdyA1 ARG 27 HG2 -0.23 -0.01 -0.14 -0.04 1.67 1.25 1zdyA1 ARG 27 HG3 -0.53 -0.02 0.05 -0.04 1.67 1.13 1zdyA1 ARG 27 HD2 -0.13 0.03 0.00 -0.04 3.22 3.08 1zdyA1 ARG 27 HD3 -0.16 0.02 -0.02 -0.04 3.22 3.02 1zdyA1 ASP 28 H 0.02 0.13 -0.19 -0.55 8.40 7.81 1zdyA1 ASP 28 HA 0.01 0.08 0.41 -0.75 4.63 4.37 1zdyA1 ASP 28 HB2 0.03 0.03 -0.00 -0.04 2.71 2.72 1zdyA1 ASP 28 HB3 0.02 0.07 0.06 -0.04 2.70 2.81 1zdyA1 LYS 29 H 0.07 0.33 -0.33 -0.55 8.42 7.93 1zdyA1 LYS 29 HA 0.10 0.21 0.74 -0.75 4.32 4.62 1zdyA1 LYS 29 HB2 0.12 0.08 -0.04 -0.04 1.87 1.99 1zdyA1 LYS 29 HB3 0.15 -0.03 -0.03 -0.04 1.79 1.84 1zdyA1 LYS 29 HG2 0.09 0.05 -0.09 -0.04 1.46 1.47 1zdyA1 LYS 29 HG3 0.07 -0.14 -0.09 -0.04 1.46 1.27 1zdyA1 LYS 29 HD2 0.10 0.02 -0.26 -0.04 1.69 1.50 1zdyA1 LYS 29 HD3 0.11 0.09 -0.31 -0.04 1.68 1.53 1zdyA1 LYS 29 HE2 0.06 -0.09 -0.01 -0.04 2.99 2.91 1zdyA1 LYS 29 HE3 0.07 0.10 0.06 -0.04 2.99 3.17 1zdyA1 ILE 30 H 0.08 0.22 -0.14 -0.55 8.25 7.87 1zdyA1 ILE 30 HA 0.10 0.20 1.04 -0.75 4.18 4.75 1zdyA1 ILE 30 HB 0.16 -0.02 0.03 -0.04 1.89 2.02 1zdyA1 ILE 30 HG12 0.13 0.19 -0.09 -0.04 1.49 1.68 1zdyA1 ILE 30 HG13 0.09 -0.05 -0.06 -0.04 1.21 1.16 1zdyA1 ILE 30 HG23 -0.08 -0.01 -0.16 -0.04 0.93 0.64 1zdyA1 ILE 30 HD13 0.12 0.05 -0.19 -0.04 0.88 0.82 1zdyA1 TYR 31 H 0.05 0.60 0.22 -0.55 8.29 8.60 1zdyA1 TYR 31 HA -0.15 -0.00 0.35 -0.75 4.56 4.00 1zdyA1 TYR 31 HB2 -0.27 0.12 0.18 -0.04 3.06 3.05 1zdyA1 TYR 31 HB3 -0.13 0.05 -0.00 -0.04 2.98 2.87 1zdyA1 TYR 31 HD2 -0.54 -0.00 -0.05 -0.04 7.15 6.52 1zdyA1 TYR 31 HE2 -0.13 0.01 -0.05 -0.04 6.85 6.63 1zdyA1 PRO 32 HA 0.04 0.03 0.38 -0.51 4.44 4.38 1zdyA1 PRO 32 HB2 0.06 0.08 -0.07 -0.04 2.28 2.30 1zdyA1 PRO 32 HB3 0.03 0.05 0.03 -0.04 2.02 2.10 1zdyA1 PRO 32 HG2 0.05 0.27 0.06 -0.04 2.03 2.37 1zdyA1 PRO 32 HG3 0.05 -0.03 0.03 -0.04 2.03 2.05 1zdyA1 PRO 32 HD2 0.07 0.08 -0.44 -0.04 3.68 3.36 1zdyA1 PRO 32 HD3 0.10 0.08 0.08 -0.04 3.65 3.88 1zdyA1 LEU 33 H 0.08 0.24 -0.51 -0.55 8.37 7.63 1zdyA1 LEU 33 HA 0.17 0.06 0.43 -0.75 4.35 4.26 1zdyA1 LEU 33 HB2 0.19 0.07 0.08 -0.04 1.64 1.94 1zdyA1 LEU 33 HB3 0.14 0.15 0.12 -0.04 1.64 2.01 1zdyA1 LEU 33 HG 0.27 -0.01 -0.20 -0.04 1.64 1.65 1zdyA1 LEU 33 HD13 0.25 -0.00 0.00 -0.04 0.93 1.14 1zdyA1 LEU 33 HD23 0.46 -0.02 -0.06 -0.04 0.89 1.22 1zdyA1 LEU 34 H -0.02 0.53 -0.04 -0.55 8.37 8.30 1zdyA1 LEU 34 HA 0.08 0.03 0.29 -0.75 4.35 4.00 1zdyA1 LEU 34 HB2 -0.30 0.06 0.08 -0.04 1.64 1.44 1zdyA1 LEU 34 HB3 -0.13 -0.03 -0.04 -0.04 1.64 1.40 1zdyA1 LEU 34 HG -0.09 0.11 -0.06 -0.04 1.64 1.56 1zdyA1 LEU 34 HD13 -0.07 -0.01 -0.11 -0.04 0.93 0.70 1zdyA1 LEU 34 HD23 -0.04 -0.01 -0.12 -0.04 0.89 0.69 1zdyA1 SER 35 H -0.11 0.65 -0.19 -0.55 8.46 8.26 1zdyA1 SER 35 HA -0.08 -0.02 0.37 -0.75 4.49 4.01 1zdyA1 SER 35 HB2 -0.03 0.11 0.09 -0.04 3.95 4.08 1zdyA1 SER 35 HB3 -0.03 -0.06 -0.01 -0.04 3.93 3.80 1zdyA1 THR 36 H -0.02 0.50 -0.22 -0.55 8.28 7.99 1zdyA1 THR 36 HA -0.17 -0.01 0.38 -0.75 4.39 3.84 1zdyA1 THR 36 HB -0.10 0.12 0.14 -0.04 4.32 4.45 1zdyA1 THR 36 HG23 -0.67 -0.03 -0.10 -0.04 1.22 0.37 1zdyA1 PHE 37 H 0.16 0.40 -0.42 -0.55 8.34 7.93 1zdyA1 PHE 37 HA 0.03 0.16 0.88 -0.75 4.62 4.93 1zdyA1 PHE 37 HB2 0.06 0.06 0.05 -0.04 3.15 3.28 1zdyA1 PHE 37 HB3 0.10 -0.07 0.15 -0.04 3.06 3.19 1zdyA1 PHE 37 HD2 0.08 0.18 -0.00 -0.04 7.28 7.50 1zdyA1 PHE 37 HE2 -0.01 -0.01 -0.05 -0.04 7.38 7.28 1zdyA1 PHE 37 HZ -0.07 0.02 0.01 -0.04 7.32 7.23 1zdyA1 GLN 38 H 0.01 0.47 -0.35 -0.55 8.47 8.05 1zdyA1 GLN 38 HA 0.06 0.04 0.37 -0.75 4.36 4.08 1zdyA1 GLN 38 HB2 0.01 0.03 0.02 -0.04 2.15 2.17 1zdyA1 GLN 38 HB3 -0.01 0.01 0.14 -0.04 2.02 2.11 1zdyA1 GLN 38 HG2 -0.03 0.31 0.10 -0.04 2.40 2.74 1zdyA1 GLN 38 HG3 -0.01 -0.08 -0.07 -0.04 2.39 2.19 1zdyA1 GLN 38 HE21 -0.01 -0.09 -0.03 -0.04 6.97 6.80 1zdyA1 GLN 38 HE22 -0.02 0.01 -0.04 -0.04 7.69 7.60 1zdyA1 ASP 39 H 0.02 0.15 -0.29 -0.55 8.40 7.73 1zdyA1 ASP 39 HA 0.05 0.09 0.38 -0.75 4.63 4.40 1zdyA1 ASP 39 HB2 -0.09 0.03 0.00 -0.04 2.71 2.61 1zdyA1 ASP 39 HB3 0.01 -0.01 0.08 -0.04 2.70 2.73 1zdyA1 THR 40 H 0.19 0.46 -0.41 -0.55 8.28 7.97 1zdyA1 THR 40 HA 0.17 0.14 0.75 -0.75 4.39 4.69 1zdyA1 THR 40 HB 0.10 0.07 0.19 -0.04 4.32 4.64 1zdyA1 THR 40 HG23 0.34 -0.04 0.04 -0.04 1.22 1.51 1zdyA1 LEU 41 H 0.12 0.42 -0.23 -0.55 8.37 8.14 1zdyA1 LEU 41 HA 0.18 0.08 0.44 -0.75 4.35 4.31 1zdyA1 LEU 41 HB2 0.10 0.15 0.02 -0.04 1.64 1.86 1zdyA1 LEU 41 HB3 0.14 -0.09 0.04 -0.04 1.64 1.69 1zdyA1 LEU 41 HG 0.11 0.15 -0.01 -0.04 1.64 1.85 1zdyA1 LEU 41 HD13 0.04 -0.02 -0.11 -0.04 0.93 0.80 1zdyA1 LEU 41 HD23 0.09 -0.02 -0.15 -0.04 0.89 0.77 1zdyA1 VAL 42 H 0.09 0.17 -0.51 -0.55 8.24 7.44 1zdyA1 VAL 42 HA 0.06 -0.03 0.51 -0.75 4.13 3.92 1zdyA1 VAL 42 HB 0.03 0.07 0.00 -0.04 2.12 2.18 1zdyA1 VAL 42 HG13 0.00 0.03 -0.01 -0.04 0.97 0.95 1zdyA1 VAL 42 HG23 0.05 0.00 -0.01 -0.04 0.95 0.94 1zdyA1 GLU 43 H -0.04 0.04 0.17 -0.55 8.60 8.22 1zdyA1 GLU 43 HA -0.58 -0.01 0.39 -0.75 4.29 3.34 1zdyA1 GLU 43 HB2 -0.10 -0.02 0.14 -0.04 2.09 2.07 1zdyA1 GLU 43 HB3 -0.20 -0.01 0.02 -0.04 1.99 1.76 1zdyA1 GLU 43 HG2 -0.52 -0.01 0.06 -0.04 2.34 1.83 1zdyA1 GLU 43 HG3 -0.05 0.01 0.10 -0.04 2.34 2.36 1zdyA1 GLY 44 H -0.24 0.06 0.16 -0.55 8.43 7.86 1zdyA1 GLY 44 HA2 -0.10 -0.06 0.48 -0.51 4.01 3.83 1zdyA1 GLY 44 HA3 -0.08 0.18 0.72 -0.51 4.01 4.32 1zdyA1 GLY 45 H -0.08 0.07 0.17 -0.55 8.43 8.05 1zdyA1 GLY 45 HA2 -0.07 -0.10 0.36 -0.51 4.01 3.69 1zdyA1 GLY 45 HA3 -0.05 0.19 0.53 -0.51 4.01 4.17 1zdyA1 SER 46 H -0.07 -0.02 -0.62 -0.55 8.46 7.21 1zdyA1 SER 46 HA -0.02 0.17 0.87 -0.75 4.49 4.76 1zdyA1 SER 46 HB2 0.06 0.31 -0.02 -0.04 3.95 4.26 1zdyA1 SER 46 HB3 0.03 -0.01 -0.09 -0.04 3.93 3.82 1zdyA1 VAL 47 H -0.02 0.22 0.13 -0.55 8.24 8.03 1zdyA1 VAL 47 HA 0.06 0.27 0.73 -0.75 4.13 4.43 1zdyA1 VAL 47 HB -0.07 -0.03 0.07 -0.04 2.12 2.04 1zdyA1 VAL 47 HG13 0.05 0.02 -0.16 -0.04 0.97 0.84 1zdyA1 VAL 47 HG23 -0.03 -0.02 -0.24 -0.04 0.95 0.62 1zdyA1 VAL 48 H 0.01 0.41 0.26 -0.55 8.24 8.37 1zdyA1 VAL 48 HA -0.15 0.44 1.08 -0.75 4.13 4.74 1zdyA1 VAL 48 HB -0.19 -0.16 0.11 -0.04 2.12 1.84 1zdyA1 VAL 48 HG13 -0.46 0.02 -0.11 -0.04 0.97 0.37 1zdyA1 VAL 48 HG23 -0.07 0.00 -0.22 -0.04 0.95 0.62 1zdyA1 VAL 49 H -0.28 0.55 0.32 -0.55 8.24 8.28 1zdyA1 VAL 49 HA -0.41 0.22 1.00 -0.75 4.13 4.18 1zdyA1 VAL 49 HB -0.30 -0.05 -0.05 -0.04 2.12 1.68 1zdyA1 VAL 49 HG13 -0.23 0.02 -0.41 -0.04 0.97 0.30 1zdyA1 VAL 49 HG23 -1.16 0.00 -0.31 -0.04 0.95 -0.56 1zdyA1 PHE 50 H -0.04 0.63 0.25 -0.55 8.34 8.62 1zdyA1 PHE 50 HA 0.10 0.28 1.02 -0.75 4.62 5.27 1zdyA1 PHE 50 HB2 0.14 0.07 0.22 -0.04 3.15 3.54 1zdyA1 PHE 50 HB3 0.13 0.02 0.06 -0.04 3.06 3.22 1zdyA1 PHE 50 HD2 0.06 0.11 0.01 -0.04 7.28 7.42 1zdyA1 PHE 50 HE2 -0.30 -0.02 -0.13 -0.04 7.38 6.88 1zdyA1 PHE 50 HZ -0.33 0.05 -0.07 -0.04 7.32 6.93 1zdyA1 SER 51 H 0.19 0.63 0.23 -0.55 8.46 8.97 1zdyA1 SER 51 HA 0.13 0.35 1.35 -0.75 4.49 5.57 1zdyA1 SER 51 HB2 0.08 -0.09 -0.04 -0.04 3.95 3.86 1zdyA1 SER 51 HB3 0.09 0.05 -0.17 -0.04 3.93 3.86 1zdyA1 MET 52 H -0.13 0.62 0.39 -0.55 8.47 8.81 1zdyA1 MET 52 HA -0.16 0.27 0.95 -0.75 4.52 4.82 1zdyA1 MET 52 HB2 -0.46 0.07 0.16 -0.04 2.15 1.87 1zdyA1 MET 52 HB3 -0.89 0.02 0.05 -0.04 2.03 1.17 1zdyA1 MET 52 HG2 -0.55 0.12 0.13 -0.04 2.63 2.29 1zdyA1 MET 52 HG3 -0.55 -0.11 -0.30 -0.04 2.56 1.56 1zdyA1 MET 52 HE3 -0.82 -0.01 -0.17 -0.04 2.10 1.06 1zdyA1 ALA 53 H -0.08 0.37 0.25 -0.55 8.40 8.39 1zdyA1 ALA 53 HA 0.23 0.18 0.90 -0.75 4.34 4.90 1zdyA1 ALA 53 HB3 0.12 0.03 -0.11 -0.04 1.41 1.41 1zdyA1 SER 54 H 0.34 0.38 0.25 -0.55 8.46 8.88 1zdyA1 SER 54 HA 0.25 0.24 0.78 -0.75 4.49 5.01 1zdyA1 SER 54 HB2 0.35 -0.10 0.20 -0.04 3.95 4.36 1zdyA1 SER 54 HB3 0.62 0.07 0.07 -0.04 3.93 4.65 1zdyA1 GLY 55 H 0.15 0.10 0.17 -0.55 8.43 8.31 1zdyA1 GLY 55 HA2 0.04 0.07 0.38 -0.51 4.01 4.00 1zdyA1 GLY 55 HA3 0.04 0.02 0.44 -0.51 4.01 4.00 1zdyA1 ARG 56 H -0.11 0.16 0.18 -0.55 8.46 8.13 1zdyA1 ARG 56 HA -0.12 0.13 0.48 -0.75 4.34 4.07 1zdyA1 ARG 56 HB2 -0.21 0.04 0.15 -0.04 1.90 1.84 1zdyA1 ARG 56 HB3 -0.16 -0.02 0.12 -0.04 1.80 1.69 1zdyA1 ARG 56 HG2 -0.44 -0.04 -0.01 -0.04 1.67 1.14 1zdyA1 ARG 56 HG3 -1.04 0.05 -0.31 -0.04 1.67 0.34 1zdyA1 ARG 56 HD2 -0.23 0.02 -0.01 -0.04 3.22 2.96 1zdyA1 ARG 56 HD3 -0.17 -0.00 -0.01 -0.04 3.22 3.00 1zdyA1 HIS 57 H -0.04 0.40 -0.48 -0.55 8.41 7.75 1zdyA1 HIS 57 HA -0.11 0.19 0.80 -0.75 4.63 4.76 1zdyA1 HIS 57 HB2 -0.21 0.07 -0.07 -0.04 3.26 3.02 1zdyA1 HIS 57 HB3 -0.15 -0.01 0.04 -0.04 3.20 3.03 1zdyA1 HIS 57 HD2 -0.21 0.02 -0.12 -0.04 6.97 6.61 1zdyA1 HIS 57 HE1 -0.54 -0.01 -0.13 -0.04 7.75 7.02 1zdyA1 SER 58 H -0.01 0.31 -0.36 -0.55 8.46 7.86 1zdyA1 SER 58 HA 0.00 0.16 0.45 -0.75 4.49 4.35 1zdyA1 SER 58 HB2 -0.01 0.02 0.16 -0.04 3.95 4.08 1zdyA1 SER 58 HB3 0.04 -0.14 -0.03 -0.04 3.93 3.76 1zdyA1 THR 59 H -0.02 0.08 -0.40 -0.55 8.28 7.39 1zdyA1 THR 59 HA -0.02 0.25 0.57 -0.75 4.39 4.44 1zdyA1 THR 59 HB -0.01 0.01 0.13 -0.04 4.32 4.41 1zdyA1 THR 59 HG23 -0.02 -0.00 -0.06 -0.04 1.22 1.09 1zdyA1 GLU 60 H -0.01 0.31 -0.49 -0.55 8.60 7.86 1zdyA1 GLU 60 HA 0.01 0.13 0.89 -0.75 4.29 4.57 1zdyA1 GLU 60 HB2 0.01 0.00 -0.22 -0.04 2.09 1.84 1zdyA1 GLU 60 HB3 0.02 0.08 -0.07 -0.04 1.99 1.98 1zdyA1 GLU 60 HG2 0.03 -0.00 -0.11 -0.04 2.34 2.21 1zdyA1 GLU 60 HG3 0.04 0.03 -0.26 -0.04 2.34 2.11 1zdyA1 LEU 61 H 0.03 0.04 0.14 -0.55 8.37 8.05 1zdyA1 LEU 61 HA 0.00 0.42 1.00 -0.75 4.35 5.02 1zdyA1 LEU 61 HB2 -0.02 0.07 -0.08 -0.04 1.64 1.58 1zdyA1 LEU 61 HB3 0.02 -0.17 0.11 -0.04 1.64 1.56 1zdyA1 LEU 61 HG 0.11 0.11 -0.19 -0.04 1.64 1.63 1zdyA1 LEU 61 HD13 0.03 0.07 -0.24 -0.04 0.93 0.75 1zdyA1 LEU 61 HD23 -0.12 -0.04 -0.10 -0.04 0.89 0.59 1zdyA1 ASP 62 H 0.07 0.59 0.27 -0.55 8.40 8.78 1zdyA1 ASP 62 HA 0.05 0.19 1.02 -0.75 4.63 5.14 1zdyA1 ASP 62 HB2 0.05 -0.05 0.02 -0.04 2.71 2.70 1zdyA1 ASP 62 HB3 -0.03 0.04 0.04 -0.04 2.70 2.72 1zdyA1 PHE 63 H -0.27 0.57 0.38 -0.55 8.34 8.47 1zdyA1 PHE 63 HA 0.18 0.42 1.02 -0.75 4.62 5.48 1zdyA1 PHE 63 HB2 0.27 0.03 0.01 -0.04 3.15 3.41 1zdyA1 PHE 63 HB3 0.28 0.02 -0.13 -0.04 3.06 3.20 1zdyA1 PHE 63 HD2 0.08 0.04 -0.37 -0.04 7.28 7.00 1zdyA1 PHE 63 HE2 0.09 0.07 -0.41 -0.04 7.38 7.09 1zdyA1 PHE 63 HZ 0.13 0.02 -0.23 -0.04 7.32 7.20 1zdyA1 SER 64 H 0.06 0.49 0.32 -0.55 8.46 8.79 1zdyA1 SER 64 HA -0.03 0.29 0.98 -0.75 4.49 4.98 1zdyA1 SER 64 HB2 -0.18 -0.08 0.01 -0.04 3.95 3.66 1zdyA1 SER 64 HB3 -0.22 0.02 -0.06 -0.04 3.93 3.64 1zdyA1 ILE 65 H 0.03 0.69 0.30 -0.55 8.25 8.73 1zdyA1 ILE 65 HA -0.02 0.25 1.07 -0.75 4.18 4.73 1zdyA1 ILE 65 HB 0.06 -0.07 0.07 -0.04 1.89 1.91 1zdyA1 ILE 65 HG12 0.05 0.04 -0.09 -0.04 1.49 1.45 1zdyA1 ILE 65 HG13 0.25 -0.16 -0.55 -0.04 1.21 0.70 1zdyA1 ILE 65 HG23 0.05 0.06 -0.13 -0.04 0.93 0.87 1zdyA1 ILE 65 HD13 0.11 0.00 -0.15 -0.04 0.88 0.80 1zdyA1 SER 66 H -0.04 0.49 0.31 -0.55 8.46 8.68 1zdyA1 SER 66 HA -0.06 0.08 0.69 -0.75 4.49 4.45 1zdyA1 SER 66 HB2 -0.20 0.06 0.11 -0.04 3.95 3.88 1zdyA1 SER 66 HB3 -0.15 -0.04 0.17 -0.04 3.93 3.87 1zdyA1 VAL 67 H -0.02 0.60 0.14 -0.55 8.24 8.41 1zdyA1 VAL 67 HA 0.01 0.22 0.82 -0.75 4.13 4.43 1zdyA1 VAL 67 HB 0.16 -0.15 -0.07 -0.04 2.12 2.02 1zdyA1 VAL 67 HG13 0.31 0.06 -0.12 -0.04 0.97 1.18 1zdyA1 VAL 67 HG23 -0.07 0.03 -0.22 -0.04 0.95 0.64 1zdyA1 PRO 68 HA -0.15 0.08 0.60 -0.51 4.44 4.46 1zdyA1 PRO 68 HB2 -0.19 -0.11 0.09 -0.04 2.28 2.03 1zdyA1 PRO 68 HB3 -0.19 0.12 0.15 -0.04 2.02 2.06 1zdyA1 PRO 68 HG2 -1.50 -0.07 0.06 -0.04 2.03 0.47 1zdyA1 PRO 68 HG3 -0.62 0.13 0.05 -0.04 2.03 1.55 1zdyA1 PRO 68 HD2 -0.43 0.13 0.20 -0.04 3.68 3.54 1zdyA1 PRO 68 HD3 -0.22 0.22 0.11 -0.04 3.65 3.72 1zdyA1 THR 69 H -0.13 0.25 0.18 -0.55 8.28 8.04 1zdyA1 THR 69 HA 0.16 0.10 0.32 -0.75 4.39 4.22 1zdyA1 THR 69 HB -0.07 0.03 0.02 -0.04 4.32 4.26 1zdyA1 THR 69 HG23 -0.54 0.09 -0.23 -0.04 1.22 0.49 1zdyA1 SER 70 H 0.00 0.05 -0.29 -0.55 8.46 7.68 1zdyA1 SER 70 HA 0.09 0.09 0.35 -0.75 4.49 4.27 1zdyA1 SER 70 HB2 0.10 0.04 0.05 -0.04 3.95 4.10 1zdyA1 SER 70 HB3 0.04 -0.01 0.07 -0.04 3.93 3.99 1zdyA1 HIS 71 H 0.18 0.35 -0.50 -0.55 8.41 7.90 1zdyA1 HIS 71 HA 0.06 0.06 0.47 -0.75 4.63 4.48 1zdyA1 HIS 71 HB2 0.18 0.18 -0.00 -0.04 3.26 3.58 1zdyA1 HIS 71 HB3 0.12 -0.02 0.05 -0.04 3.20 3.32 1zdyA1 HIS 71 HD2 0.18 0.00 -0.01 -0.04 6.97 7.10 1zdyA1 HIS 71 HE1 0.04 0.01 -0.06 -0.04 7.75 7.69 1zdyA1 GLY 72 H 0.26 0.35 -0.50 -0.55 8.43 7.99 1zdyA1 GLY 72 HA2 0.19 0.02 0.30 -0.51 4.01 4.01 1zdyA1 GLY 72 HA3 0.11 0.13 0.51 -0.51 4.01 4.25 1zdyA1 ASP 73 H 0.07 0.12 0.10 -0.55 8.40 8.14 1zdyA1 ASP 73 HA -0.60 0.09 0.38 -0.75 4.63 3.74 1zdyA1 ASP 73 HB2 0.02 0.11 0.15 -0.04 2.71 2.95 1zdyA1 ASP 73 HB3 -0.01 -0.01 0.18 -0.04 2.70 2.82 1zdyA1 PRO 74 HA 0.17 0.17 0.48 -0.51 4.44 4.74 1zdyA1 PRO 74 HB2 0.00 -0.00 -0.01 -0.04 2.28 2.23 1zdyA1 PRO 74 HB3 0.11 0.13 0.05 -0.04 2.02 2.27 1zdyA1 PRO 74 HG2 -0.11 -0.07 0.11 -0.04 2.03 1.92 1zdyA1 PRO 74 HG3 -0.10 0.03 0.06 -0.04 2.03 1.98 1zdyA1 PRO 74 HD2 -1.27 -0.00 0.22 -0.04 3.68 2.59 1zdyA1 PRO 74 HD3 -0.64 0.34 0.14 -0.04 3.65 3.45 1zdyA1 TYR 75 H 0.03 0.12 -0.15 -0.55 8.29 7.74 1zdyA1 TYR 75 HA -0.20 0.12 0.46 -0.75 4.56 4.18 1zdyA1 TYR 75 HB2 0.03 0.00 0.06 -0.04 3.06 3.11 1zdyA1 TYR 75 HB3 -0.03 -0.03 0.03 -0.04 2.98 2.92 1zdyA1 TYR 75 HD2 -0.23 0.03 -0.04 -0.04 7.15 6.87 1zdyA1 TYR 75 HE2 -0.29 0.03 -0.03 -0.04 6.85 6.51 1zdyA1 ALA 76 H -0.00 0.07 -0.24 -0.55 8.40 7.69 1zdyA1 ALA 76 HA -0.16 0.05 0.38 -0.75 4.34 3.85 1zdyA1 ALA 76 HB3 -0.02 0.06 0.07 -0.04 1.41 1.48 1zdyA1 THR 77 H -0.05 0.30 -0.40 -0.55 8.28 7.58 1zdyA1 THR 77 HA -0.09 0.04 0.34 -0.75 4.39 3.92 1zdyA1 THR 77 HB 0.07 0.11 0.13 -0.04 4.32 4.59 1zdyA1 THR 77 HG23 -0.29 -0.00 -0.16 -0.04 1.22 0.73 1zdyA1 VAL 78 H -0.15 0.49 -0.08 -0.55 8.24 7.95 1zdyA1 VAL 78 HA -0.12 0.06 0.38 -0.75 4.13 3.68 1zdyA1 VAL 78 HB -0.32 -0.05 -0.07 -0.04 2.12 1.64 1zdyA1 VAL 78 HG13 -0.31 0.04 0.02 -0.04 0.97 0.67 1zdyA1 VAL 78 HG23 -0.68 0.02 0.02 -0.04 0.95 0.27 1zdyA1 VAL 79 H -0.33 0.48 -0.26 -0.55 8.24 7.59 1zdyA1 VAL 79 HA -0.14 0.29 0.59 -0.75 4.13 4.12 1zdyA1 VAL 79 HB -0.30 0.05 0.15 -0.04 2.12 1.97 1zdyA1 VAL 79 HG13 -0.13 -0.02 -0.05 -0.04 0.97 0.73 1zdyA1 VAL 79 HG23 -0.64 0.02 -0.08 -0.04 0.95 0.21 1zdyA1 GLU 80 H -0.14 0.67 0.03 -0.55 8.60 8.61 1zdyA1 GLU 80 HA -0.07 0.01 0.41 -0.75 4.29 3.88 1zdyA1 GLU 80 HB2 -0.08 0.08 0.14 -0.04 2.09 2.19 1zdyA1 GLU 80 HB3 -0.06 -0.05 0.05 -0.04 1.99 1.88 1zdyA1 GLU 80 HG2 -0.06 -0.07 0.05 -0.04 2.34 2.22 1zdyA1 GLU 80 HG3 -0.09 0.21 0.14 -0.04 2.34 2.57 1zdyA1 LYS 81 H -0.10 0.46 -0.26 -0.55 8.42 7.97 1zdyA1 LYS 81 HA -0.06 0.08 0.53 -0.75 4.32 4.11 1zdyA1 LYS 81 HB2 -0.10 0.04 0.09 -0.04 1.87 1.85 1zdyA1 LYS 81 HB3 -0.08 -0.03 0.03 -0.04 1.79 1.66 1zdyA1 LYS 81 HG2 -0.05 -0.01 0.03 -0.04 1.46 1.38 1zdyA1 LYS 81 HG3 -0.07 -0.02 0.10 -0.04 1.46 1.43 1zdyA1 LYS 81 HD2 -0.13 0.01 0.00 -0.04 1.69 1.53 1zdyA1 LYS 81 HD3 -0.11 -0.01 -0.02 -0.04 1.68 1.49 1zdyA1 LYS 81 HE2 -0.06 -0.01 -0.00 -0.04 2.99 2.88 1zdyA1 LYS 81 HE3 -0.07 -0.01 0.01 -0.04 2.99 2.88 1zdyA1 GLY 82 H -0.07 0.36 -0.52 -0.55 8.43 7.66 1zdyA1 GLY 82 HA2 -0.05 0.04 0.29 -0.51 4.01 3.78 1zdyA1 GLY 82 HA3 -0.03 0.05 0.49 -0.51 4.01 4.00 1zdyA1 LEU 83 H -0.04 0.55 0.06 -0.55 8.37 8.39 1zdyA1 LEU 83 HA 0.03 0.15 0.72 -0.75 4.35 4.51 1zdyA1 LEU 83 HB2 -0.04 -0.02 0.08 -0.04 1.64 1.62 1zdyA1 LEU 83 HB3 0.05 -0.07 0.06 -0.04 1.64 1.63 1zdyA1 LEU 83 HG -0.03 0.05 -0.20 -0.04 1.64 1.42 1zdyA1 LEU 83 HD13 0.01 -0.02 -0.10 -0.04 0.93 0.77 1zdyA1 LEU 83 HD23 0.02 0.01 -0.12 -0.04 0.89 0.77 1zdyA1 PHE 84 H 0.02 0.33 -0.04 -0.55 8.34 8.09 1zdyA1 PHE 84 HA 0.03 0.19 0.58 -0.75 4.62 4.67 1zdyA1 PHE 84 HB2 -0.06 0.00 -0.31 -0.04 3.15 2.74 1zdyA1 PHE 84 HB3 -0.19 -0.12 -0.23 -0.04 3.06 2.49 1zdyA1 PHE 84 HD2 0.18 -0.02 -0.16 -0.04 7.28 7.24 1zdyA1 PHE 84 HE2 0.23 -0.03 -0.02 -0.04 7.38 7.51 1zdyA1 PHE 84 HZ 0.22 -0.08 -0.14 -0.04 7.32 7.28 1zdyA1 PRO 85 HA -0.14 0.08 0.70 -0.51 4.44 4.58 1zdyA1 PRO 85 HB2 -0.21 0.11 -0.06 -0.04 2.28 2.08 1zdyA1 PRO 85 HB3 -0.14 0.02 0.05 -0.04 2.02 1.90 1zdyA1 PRO 85 HG2 -0.28 0.04 0.03 -0.04 2.03 1.78 1zdyA1 PRO 85 HG3 -0.19 0.06 -0.03 -0.04 2.03 1.82 1zdyA1 PRO 85 HD2 -1.50 0.08 0.15 -0.04 3.68 2.37 1zdyA1 PRO 85 HD3 -0.53 0.17 0.16 -0.04 3.65 3.41 1zdyA1 ALA 86 H -0.05 0.12 0.16 -0.55 8.40 8.08 1zdyA1 ALA 86 HA 0.20 0.01 0.42 -0.75 4.34 4.21 1zdyA1 ALA 86 HB3 0.03 -0.00 0.10 -0.04 1.41 1.49 1zdyA1 THR 87 H 0.25 0.03 0.20 -0.55 8.28 8.20 1zdyA1 THR 87 HA 0.10 0.27 0.58 -0.75 4.39 4.58 1zdyA1 THR 87 HB 0.20 0.09 0.12 -0.04 4.32 4.68 1zdyA1 THR 87 HG23 0.33 0.05 0.07 -0.04 1.22 1.64 1zdyA1 GLY 88 H 0.07 0.02 -0.04 -0.55 8.43 7.92 1zdyA1 GLY 88 HA2 -0.04 0.00 0.26 -0.51 4.01 3.72 1zdyA1 GLY 88 HA3 -0.08 0.19 0.53 -0.51 4.01 4.14 1zdyA1 HIS 89 H 0.07 -0.08 -0.19 -0.55 8.41 7.66 1zdyA1 HIS 89 HA -0.14 0.31 0.83 -0.75 4.63 4.89 1zdyA1 HIS 89 HB2 -0.17 -0.08 -0.01 -0.04 3.26 2.97 1zdyA1 HIS 89 HB3 -0.39 -0.03 0.08 -0.04 3.20 2.82 1zdyA1 HIS 89 HD2 -0.04 0.15 -0.12 -0.04 6.97 6.92 1zdyA1 HIS 89 HE1 -0.04 -0.01 -0.00 -0.04 7.75 7.66 1zdyA1 PRO 90 HA -0.08 0.06 0.39 -0.51 4.44 4.29 1zdyA1 PRO 90 HB2 -0.76 0.07 0.03 -0.04 2.28 1.58 1zdyA1 PRO 90 HB3 0.00 0.09 0.09 -0.04 2.02 2.17 1zdyA1 PRO 90 HG2 -0.19 0.12 0.07 -0.04 2.03 1.99 1zdyA1 PRO 90 HG3 -0.08 0.06 0.07 -0.04 2.03 2.04 1zdyA1 PRO 90 HD2 -0.44 0.11 0.19 -0.04 3.68 3.51 1zdyA1 PRO 90 HD3 -0.13 0.20 0.22 -0.04 3.65 3.90 1zdyA1 VAL 91 H -0.69 0.15 -0.34 -0.55 8.24 6.80 1zdyA1 VAL 91 HA -0.12 0.10 0.31 -0.75 4.13 3.66 1zdyA1 VAL 91 HB -0.77 0.06 0.03 -0.04 2.12 1.40 1zdyA1 VAL 91 HG13 -0.06 0.01 -0.09 -0.04 0.97 0.78 1zdyA1 VAL 91 HG23 -0.29 0.01 -0.12 -0.04 0.95 0.51 1zdyA1 ASP 92 H 0.00 0.52 -0.36 -0.55 8.40 8.01 1zdyA1 ASP 92 HA 0.23 0.02 0.36 -0.75 4.63 4.49 1zdyA1 ASP 92 HB2 0.10 0.18 0.05 -0.04 2.71 3.01 1zdyA1 ASP 92 HB3 0.23 0.01 -0.01 -0.04 2.70 2.89 1zdyA1 ASP 93 H 0.07 0.56 -0.25 -0.55 8.40 8.22 1zdyA1 ASP 93 HA 0.14 0.15 0.87 -0.75 4.63 5.03 1zdyA1 ASP 93 HB2 0.09 0.12 0.03 -0.04 2.71 2.91 1zdyA1 ASP 93 HB3 0.10 -0.04 0.08 -0.04 2.70 2.80 1zdyA1 LEU 94 H 0.11 0.33 -0.19 -0.55 8.37 8.07 1zdyA1 LEU 94 HA 0.15 0.04 0.26 -0.75 4.35 4.04 1zdyA1 LEU 94 HB2 0.26 0.12 -0.04 -0.04 1.64 1.94 1zdyA1 LEU 94 HB3 0.11 0.02 0.04 -0.04 1.64 1.77 1zdyA1 LEU 94 HG 0.10 -0.03 -0.29 -0.04 1.64 1.37 1zdyA1 LEU 94 HD13 0.13 -0.01 -0.22 -0.04 0.93 0.78 1zdyA1 LEU 94 HD23 0.22 0.03 -0.13 -0.04 0.89 0.97 1zdyA1 LEU 95 H 0.11 0.22 -0.14 -0.55 8.37 8.02 1zdyA1 LEU 95 HA 0.14 0.11 0.34 -0.75 4.35 4.19 1zdyA1 LEU 95 HB2 0.12 0.03 0.05 -0.04 1.64 1.80 1zdyA1 LEU 95 HB3 0.14 -0.03 0.04 -0.04 1.64 1.74 1zdyA1 LEU 95 HG 0.11 0.02 -0.11 -0.04 1.64 1.62 1zdyA1 LEU 95 HD13 0.22 0.03 -0.09 -0.04 0.93 1.04 1zdyA1 LEU 95 HD23 -0.08 -0.02 0.03 -0.04 0.89 0.77 1zdyA1 ALA 96 H 0.15 0.13 -0.28 -0.55 8.40 7.86 1zdyA1 ALA 96 HA 0.15 0.04 0.42 -0.75 4.34 4.20 1zdyA1 ALA 96 HB3 0.12 0.03 0.07 -0.04 1.41 1.60 1zdyA1 ASP 97 H 0.15 0.60 -0.11 -0.55 8.40 8.49 1zdyA1 ASP 97 HA 0.21 0.04 0.45 -0.75 4.63 4.58 1zdyA1 ASP 97 HB2 0.14 0.06 0.07 -0.04 2.71 2.93 1zdyA1 ASP 97 HB3 0.13 -0.04 -0.03 -0.04 2.70 2.72 1zdyA1 THR 98 H 0.17 0.49 -0.30 -0.55 8.28 8.09 1zdyA1 THR 98 HA 0.19 0.04 0.45 -0.75 4.39 4.31 1zdyA1 THR 98 HB 0.19 0.08 0.13 -0.04 4.32 4.68 1zdyA1 THR 98 HG23 0.31 -0.01 -0.15 -0.04 1.22 1.33 1zdyA1 GLN 99 H 0.21 0.38 -0.09 -0.55 8.47 8.43 1zdyA1 GLN 99 HA 0.17 0.14 0.48 -0.75 4.36 4.40 1zdyA1 GLN 99 HB2 0.30 -0.07 0.13 -0.04 2.15 2.47 1zdyA1 GLN 99 HB3 0.21 0.05 0.16 -0.04 2.02 2.39 1zdyA1 GLN 99 HG2 0.13 0.04 -0.12 -0.04 2.40 2.41 1zdyA1 GLN 99 HG3 0.12 0.00 0.14 -0.04 2.39 2.60 1zdyA1 GLN 99 HE21 0.27 -0.03 0.01 -0.04 6.97 7.18 1zdyA1 GLN 99 HE22 0.08 0.05 0.05 -0.04 7.69 7.83 1zdyA1 LYS 100 H 0.17 0.26 -0.35 -0.55 8.42 7.94 1zdyA1 LYS 100 HA 0.05 0.01 0.44 -0.75 4.32 4.06 1zdyA1 LYS 100 HB2 0.08 -0.04 0.10 -0.04 1.87 1.98 1zdyA1 LYS 100 HB3 0.18 0.07 0.21 -0.04 1.79 2.20 1zdyA1 LYS 100 HG2 -0.33 0.05 -0.26 -0.04 1.46 0.88 1zdyA1 LYS 100 HG3 -0.06 -0.05 0.01 -0.04 1.46 1.33 1zdyA1 LYS 100 HD2 0.05 -0.05 -0.01 -0.04 1.69 1.63 1zdyA1 LYS 100 HD3 0.12 -0.01 0.01 -0.04 1.68 1.76 1zdyA1 LYS 100 HE2 -0.21 0.03 -0.03 -0.04 2.99 2.74 1zdyA1 LYS 100 HE3 -0.05 -0.02 -0.02 -0.04 2.99 2.86 1zdyA1 HIS 101 H 0.28 0.44 -0.08 -0.55 8.41 8.51 1zdyA1 HIS 101 HA 0.05 0.09 0.67 -0.75 4.63 4.69 1zdyA1 HIS 101 HB2 0.06 0.06 0.11 -0.04 3.26 3.45 1zdyA1 HIS 101 HB3 0.04 -0.04 0.02 -0.04 3.20 3.17 1zdyA1 HIS 101 HD2 0.03 -0.02 -0.02 -0.04 6.97 6.92 1zdyA1 HIS 101 HE1 0.06 -0.08 0.03 -0.04 7.75 7.72 1zdyA1 LEU 102 H 0.18 0.57 -0.08 -0.55 8.37 8.50 1zdyA1 LEU 102 HA 0.08 0.16 0.89 -0.75 4.35 4.73 1zdyA1 LEU 102 HB2 0.25 0.03 -0.06 -0.04 1.64 1.82 1zdyA1 LEU 102 HB3 0.05 0.05 0.00 -0.04 1.64 1.70 1zdyA1 LEU 102 HG 0.08 -0.07 -0.42 -0.04 1.64 1.18 1zdyA1 LEU 102 HD13 -0.20 -0.03 -0.14 -0.04 0.93 0.52 1zdyA1 LEU 102 HD23 -0.05 0.02 -0.03 -0.04 0.89 0.79 1zdyA1 PRO 103 HA 0.08 0.07 0.58 -0.51 4.44 4.66 1zdyA1 PRO 103 HB2 0.09 0.00 0.20 -0.04 2.28 2.53 1zdyA1 PRO 103 HB3 0.05 -0.02 0.09 -0.04 2.02 2.10 1zdyA1 PRO 103 HG2 0.04 0.01 0.10 -0.04 2.03 2.14 1zdyA1 PRO 103 HG3 0.05 0.04 0.03 -0.04 2.03 2.11 1zdyA1 PRO 103 HD2 0.06 0.12 0.22 -0.04 3.68 4.04 1zdyA1 PRO 103 HD3 0.05 0.16 0.21 -0.04 3.65 4.02 1zdyA1 VAL 104 H 0.05 0.22 0.27 -0.55 8.24 8.22 1zdyA1 VAL 104 HA -0.02 0.34 0.99 -0.75 4.13 4.69 1zdyA1 VAL 104 HB -0.10 -0.04 0.19 -0.04 2.12 2.12 1zdyA1 VAL 104 HG13 -0.40 -0.04 -0.01 -0.04 0.97 0.48 1zdyA1 VAL 104 HG23 0.09 0.06 -0.20 -0.04 0.95 0.86 1zdyA1 SER 105 H -0.07 0.55 0.17 -0.55 8.46 8.56 1zdyA1 SER 105 HA -0.10 0.15 0.75 -0.75 4.49 4.53 1zdyA1 SER 105 HB2 -0.06 -0.06 -0.00 -0.04 3.95 3.78 1zdyA1 SER 105 HB3 -0.01 -0.00 -0.07 -0.04 3.93 3.81 1zdyA1 MET 106 H -0.24 0.34 0.13 -0.55 8.47 8.16 1zdyA1 MET 106 HA -0.31 -0.04 0.55 -0.75 4.52 3.97 1zdyA1 MET 106 HB2 -0.32 0.14 -0.18 -0.04 2.15 1.75 1zdyA1 MET 106 HB3 -0.63 -0.07 -0.11 -0.04 2.03 1.17 1zdyA1 MET 106 HG2 -0.47 0.30 0.07 -0.04 2.63 2.48 1zdyA1 MET 106 HG3 -0.27 -0.04 0.04 -0.04 2.56 2.25 1zdyA1 MET 106 HE3 -0.19 0.01 0.00 -0.04 2.10 1.88 1zdyA1 PHE 107 H -0.05 0.59 0.31 -0.55 8.34 8.64 1zdyA1 PHE 107 HA 0.17 0.30 1.04 -0.75 4.62 5.37 1zdyA1 PHE 107 HB2 0.04 0.14 0.05 -0.04 3.15 3.35 1zdyA1 PHE 107 HB3 0.10 -0.10 0.25 -0.04 3.06 3.27 1zdyA1 PHE 107 HD2 0.07 0.17 -0.02 -0.04 7.28 7.46 1zdyA1 PHE 107 HE2 0.07 0.02 -0.08 -0.04 7.38 7.36 1zdyA1 PHE 107 HZ 0.08 0.01 -0.03 -0.04 7.32 7.34 1zdyA1 ALA 108 H 0.35 0.34 0.38 -0.55 8.40 8.93 1zdyA1 ALA 108 HA 0.08 0.18 0.67 -0.75 4.34 4.52 1zdyA1 ALA 108 HB3 0.13 0.01 -0.14 -0.04 1.41 1.37 1zdyA1 ILE 109 H 0.02 0.70 0.36 -0.55 8.25 8.77 1zdyA1 ILE 109 HA 0.16 0.22 1.11 -0.75 4.18 4.91 1zdyA1 ILE 109 HB 0.18 -0.01 0.11 -0.04 1.89 2.12 1zdyA1 ILE 109 HG12 -0.20 0.14 0.09 -0.04 1.49 1.48 1zdyA1 ILE 109 HG13 0.04 -0.11 -0.06 -0.04 1.21 1.04 1zdyA1 ILE 109 HG23 -0.29 -0.00 -0.04 -0.04 0.93 0.55 1zdyA1 ILE 109 HD13 -0.43 0.00 -0.09 -0.04 0.88 0.32 1zdyA1 ASP 110 H -0.09 0.47 0.41 -0.55 8.40 8.63 1zdyA1 ASP 110 HA -0.31 0.29 0.93 -0.75 4.63 4.80 1zdyA1 ASP 110 HB2 0.18 0.01 -0.28 -0.04 2.71 2.57 1zdyA1 ASP 110 HB3 -0.04 -0.08 -0.15 -0.04 2.70 2.38 1zdyA1 GLY 111 H -1.25 0.56 0.35 -0.55 8.43 7.53 1zdyA1 GLY 111 HA2 -0.36 0.07 0.59 -0.51 4.01 3.80 1zdyA1 GLY 111 HA3 -0.49 0.05 0.17 -0.51 4.01 3.23 1zdyA1 GLU 112 H 0.03 0.62 0.21 -0.55 8.60 8.92 1zdyA1 GLU 112 HA 0.08 0.30 0.94 -0.75 4.29 4.85 1zdyA1 GLU 112 HB2 0.08 -0.12 0.13 -0.04 2.09 2.13 1zdyA1 GLU 112 HB3 0.06 -0.02 0.07 -0.04 1.99 2.06 1zdyA1 GLU 112 HG2 0.00 0.06 -0.15 -0.04 2.34 2.20 1zdyA1 GLU 112 HG3 -0.04 -0.03 -0.22 -0.04 2.34 2.02 1zdyA1 VAL 113 H 0.18 0.65 0.29 -0.55 8.24 8.82 1zdyA1 VAL 113 HA 0.21 0.07 0.36 -0.75 4.13 4.02 1zdyA1 VAL 113 HB 0.02 -0.09 0.01 -0.04 2.12 2.02 1zdyA1 VAL 113 HG13 0.04 0.08 -0.04 -0.04 0.97 1.01 1zdyA1 VAL 113 HG23 0.03 0.03 -0.04 -0.04 0.95 0.94 1zdyA1 THR 114 H 0.09 0.02 -0.18 -0.55 8.28 7.66 1zdyA1 THR 114 HA 0.07 0.17 0.93 -0.75 4.39 4.81 1zdyA1 THR 114 HB 0.04 0.04 0.13 -0.04 4.32 4.49 1zdyA1 THR 114 HG23 0.03 0.07 0.02 -0.04 1.22 1.30 1zdyA1 GLY 115 H 0.11 -0.04 -0.18 -0.55 8.43 7.78 1zdyA1 GLY 115 HA2 0.09 0.24 0.93 -0.51 4.01 4.76 1zdyA1 GLY 115 HA3 0.09 -0.02 0.26 -0.51 4.01 3.83 1zdyA1 GLY 116 H 0.20 0.46 0.12 -0.55 8.43 8.67 1zdyA1 GLY 116 HA2 0.30 0.06 0.29 -0.51 4.01 4.15 1zdyA1 GLY 116 HA3 0.23 0.20 0.63 -0.51 4.01 4.56 1zdyA1 PHE 117 H 0.39 0.20 0.20 -0.55 8.34 8.58 1zdyA1 PHE 117 HA 0.02 -0.00 0.46 -0.75 4.62 4.34 1zdyA1 PHE 117 HB2 0.12 -0.01 0.13 -0.04 3.15 3.35 1zdyA1 PHE 117 HB3 0.11 0.11 0.14 -0.04 3.06 3.37 1zdyA1 PHE 117 HD2 -0.39 0.02 -0.12 -0.04 7.28 6.75 1zdyA1 PHE 117 HE2 -0.53 -0.01 -0.05 -0.04 7.38 6.75 1zdyA1 PHE 117 HZ -0.09 -0.07 -0.16 -0.04 7.32 6.96 1zdyA1 LYS 118 H -0.92 0.41 0.57 -0.55 8.42 7.92 1zdyA1 LYS 118 HA -0.50 0.11 0.54 -0.75 4.32 3.71 1zdyA1 LYS 118 HB2 -0.08 -0.21 0.19 -0.04 1.87 1.73 1zdyA1 LYS 118 HB3 -0.05 0.25 -0.15 -0.04 1.79 1.81 1zdyA1 LYS 118 HG2 -0.12 0.02 -0.11 -0.04 1.46 1.20 1zdyA1 LYS 118 HG3 -0.29 0.09 -0.10 -0.04 1.46 1.12 1zdyA1 LYS 118 HD2 -0.11 0.02 -0.18 -0.04 1.69 1.38 1zdyA1 LYS 118 HD3 -0.13 -0.12 -0.15 -0.04 1.68 1.24 1zdyA1 LYS 118 HE2 -0.01 -0.01 -0.03 -0.04 2.99 2.90 1zdyA1 LYS 118 HE3 -0.02 0.04 -0.10 -0.04 2.99 2.87 1zdyA1 LYS 119 H -1.03 0.36 0.47 -0.55 8.42 7.67 1zdyA1 LYS 119 HA -0.27 0.26 1.10 -0.75 4.32 4.66 1zdyA1 LYS 119 HB2 -0.27 -0.02 -0.25 -0.04 1.87 1.29 1zdyA1 LYS 119 HB3 -0.26 -0.05 -0.08 -0.04 1.79 1.35 1zdyA1 LYS 119 HG2 -0.44 0.01 -0.31 -0.04 1.46 0.68 1zdyA1 LYS 119 HG3 -0.40 0.09 -0.08 -0.04 1.46 1.03 1zdyA1 LYS 119 HD2 -0.16 -0.02 -0.22 -0.04 1.69 1.25 1zdyA1 LYS 119 HD3 -0.58 -0.01 -0.22 -0.04 1.68 0.84 1zdyA1 LYS 119 HE2 -0.21 -0.03 -0.26 -0.04 2.99 2.45 1zdyA1 LYS 119 HE3 -0.17 -0.03 -0.20 -0.04 2.99 2.55 1zdyA1 THR 120 H -0.18 0.45 0.44 -0.55 8.28 8.44 1zdyA1 THR 120 HA 0.15 0.33 1.08 -0.75 4.39 5.20 1zdyA1 THR 120 HB 0.15 0.07 0.21 -0.04 4.32 4.70 1zdyA1 THR 120 HG23 0.40 -0.03 -0.06 -0.04 1.22 1.48 1zdyA1 TYR 121 H 0.30 0.47 0.41 -0.55 8.29 8.91 1zdyA1 TYR 121 HA -0.09 0.29 1.12 -0.75 4.56 5.12 1zdyA1 TYR 121 HB2 0.11 -0.09 -0.07 -0.04 3.06 2.98 1zdyA1 TYR 121 HB3 -0.40 0.07 -0.10 -0.04 2.98 2.50 1zdyA1 TYR 121 HD2 -0.33 0.02 -0.36 -0.04 7.15 6.44 1zdyA1 TYR 121 HE2 -0.31 0.00 -0.29 -0.04 6.85 6.21 1zdyA1 ALA 122 H -0.10 0.59 0.29 -0.55 8.40 8.63 1zdyA1 ALA 122 HA 0.15 0.20 1.01 -0.75 4.34 4.95 1zdyA1 ALA 122 HB3 -0.05 -0.00 0.03 -0.04 1.41 1.35 1zdyA1 PHE 123 H 0.13 0.63 0.32 -0.55 8.34 8.87 1zdyA1 PHE 123 HA -0.37 0.18 0.99 -0.75 4.62 4.67 1zdyA1 PHE 123 HB2 -0.20 -0.12 0.08 -0.04 3.15 2.86 1zdyA1 PHE 123 HB3 -0.15 0.10 0.03 -0.04 3.06 3.00 1zdyA1 PHE 123 HD2 -0.11 0.08 -0.22 -0.04 7.28 6.99 1zdyA1 PHE 123 HE2 -0.13 -0.03 -0.30 -0.04 7.38 6.87 1zdyA1 PHE 123 HZ -0.31 -0.03 -0.20 -0.04 7.32 6.74 1zdyA1 PHE 124 H -0.01 0.67 0.35 -0.55 8.34 8.80 1zdyA1 PHE 124 HA 0.03 0.24 1.04 -0.75 4.62 5.18 1zdyA1 PHE 124 HB2 0.01 0.03 0.06 -0.04 3.15 3.21 1zdyA1 PHE 124 HB3 0.01 0.15 0.17 -0.04 3.06 3.36 1zdyA1 PHE 124 HD2 -0.01 0.21 -0.30 -0.04 7.28 7.14 1zdyA1 PHE 124 HE2 -0.02 -0.05 -0.28 -0.04 7.38 6.99 1zdyA1 PHE 124 HZ -0.01 -0.07 -0.15 -0.04 7.32 7.04 1zdyA1 PRO 125 HA 0.06 -0.03 0.46 -0.51 4.44 4.42 1zdyA1 PRO 125 HB2 0.06 -0.03 0.04 -0.04 2.28 2.31 1zdyA1 PRO 125 HB3 0.04 -0.02 0.06 -0.04 2.02 2.06 1zdyA1 PRO 125 HG2 0.06 0.07 0.05 -0.04 2.03 2.17 1zdyA1 PRO 125 HG3 0.05 -0.02 -0.01 -0.04 2.03 2.01 1zdyA1 PRO 125 HD2 0.17 0.32 0.25 -0.04 3.68 4.38 1zdyA1 PRO 125 HD3 0.17 0.30 0.21 -0.04 3.65 4.28 1zdyA1 THR 126 H 0.06 0.11 0.19 -0.55 8.28 8.09 1zdyA1 THR 126 HA 0.08 0.15 0.34 -0.75 4.39 4.21 1zdyA1 THR 126 HB 0.05 -0.05 0.09 -0.04 4.32 4.37 1zdyA1 THR 126 HG23 0.07 0.01 -0.02 -0.04 1.22 1.24 1zdyA1 ASP 127 H 0.04 0.02 -0.29 -0.55 8.40 7.62 1zdyA1 ASP 127 HA 0.03 0.20 0.72 -0.75 4.63 4.83 1zdyA1 ASP 127 HB2 0.02 0.03 0.13 -0.04 2.71 2.85 1zdyA1 ASP 127 HB3 0.02 -0.02 0.02 -0.04 2.70 2.69 1zdyA1 ASN 128 H 0.05 0.43 -0.56 -0.55 8.53 7.91 1zdyA1 ASN 128 HA 0.02 0.13 0.64 -0.75 4.76 4.80 1zdyA1 ASN 128 HB2 0.02 -0.02 -0.18 -0.04 2.88 2.66 1zdyA1 ASN 128 HB3 0.04 -0.04 0.12 -0.04 2.79 2.87 1zdyA1 ASN 128 HD21 0.02 0.00 0.03 -0.04 7.03 7.03 1zdyA1 ASN 128 HD22 0.03 -0.05 0.04 -0.04 7.74 7.71 1zdyA1 MET 129 H 0.02 0.09 -0.10 -0.55 8.47 7.93 1zdyA1 MET 129 HA -0.01 0.20 0.70 -0.75 4.52 4.65 1zdyA1 MET 129 HB2 0.01 -0.13 -0.01 -0.04 2.15 1.98 1zdyA1 MET 129 HB3 -0.02 0.17 -0.03 -0.04 2.03 2.11 1zdyA1 MET 129 HG2 0.12 0.08 -0.18 -0.04 2.63 2.61 1zdyA1 MET 129 HG3 0.07 0.02 -0.08 -0.04 2.56 2.52 1zdyA1 MET 129 HE3 0.06 -0.01 -0.04 -0.04 2.10 2.07 1zdyA1 PRO 130 HA -0.14 0.04 0.56 -0.51 4.44 4.40 1zdyA1 PRO 130 HB2 -0.29 0.00 -0.00 -0.04 2.28 1.95 1zdyA1 PRO 130 HB3 -0.34 0.07 0.06 -0.04 2.02 1.76 1zdyA1 PRO 130 HG2 -0.60 -0.03 0.03 -0.04 2.03 1.38 1zdyA1 PRO 130 HG3 -1.59 0.04 -0.01 -0.04 2.03 0.42 1zdyA1 PRO 130 HD2 -0.44 0.34 0.29 -0.04 3.68 3.83 1zdyA1 PRO 130 HD3 -0.61 0.21 0.22 -0.04 3.65 3.43 1zdyA1 GLY 131 H -0.07 0.01 0.16 -0.55 8.43 7.99 1zdyA1 GLY 131 HA2 -0.01 0.46 0.79 -0.51 4.01 4.74 1zdyA1 GLY 131 HA3 -0.01 -0.04 0.32 -0.51 4.01 3.78 1zdyA1 VAL 132 H 0.07 0.27 0.16 -0.55 8.24 8.18 1zdyA1 VAL 132 HA 0.03 0.10 0.33 -0.75 4.13 3.84 1zdyA1 VAL 132 HB 0.13 -0.04 0.12 -0.04 2.12 2.29 1zdyA1 VAL 132 HG13 0.21 -0.01 -0.10 -0.04 0.97 1.03 1zdyA1 VAL 132 HG23 0.25 0.05 0.05 -0.04 0.95 1.26 1zdyA1 ALA 133 H 0.02 0.07 -0.18 -0.55 8.40 7.76 1zdyA1 ALA 133 HA 0.01 0.11 0.34 -0.75 4.34 4.05 1zdyA1 ALA 133 HB3 0.01 0.01 0.02 -0.04 1.41 1.41 1zdyA1 GLU 134 H -0.02 0.01 -0.21 -0.55 8.60 7.84 1zdyA1 GLU 134 HA -0.01 0.09 0.36 -0.75 4.29 3.97 1zdyA1 GLU 134 HB2 -0.09 0.01 0.11 -0.04 2.09 2.08 1zdyA1 GLU 134 HB3 -0.05 0.11 -0.01 -0.04 1.99 2.00 1zdyA1 GLU 134 HG2 -0.03 0.11 0.03 -0.04 2.34 2.41 1zdyA1 GLU 134 HG3 -0.01 -0.01 0.01 -0.04 2.34 2.29 1zdyA1 LEU 135 H -0.06 0.39 -0.28 -0.55 8.37 7.87 1zdyA1 LEU 135 HA -0.06 0.06 0.40 -0.75 4.35 3.99 1zdyA1 LEU 135 HB2 -0.06 0.06 0.03 -0.04 1.64 1.64 1zdyA1 LEU 135 HB3 -0.06 -0.05 -0.09 -0.04 1.64 1.40 1zdyA1 LEU 135 HG -0.18 0.01 -0.12 -0.04 1.64 1.30 1zdyA1 LEU 135 HD13 -0.17 -0.01 -0.22 -0.04 0.93 0.49 1zdyA1 LEU 135 HD23 -0.11 -0.00 -0.10 -0.04 0.89 0.63 1zdyA1 SER 136 H -0.01 0.62 -0.14 -0.55 8.46 8.38 1zdyA1 SER 136 HA -0.03 0.01 0.29 -0.75 4.49 4.01 1zdyA1 SER 136 HB2 -0.01 -0.12 0.07 -0.04 3.95 3.86 1zdyA1 SER 136 HB3 0.01 0.00 -0.04 -0.04 3.93 3.86 1zdyA1 ALA 137 H -0.04 0.24 -0.75 -0.55 8.40 7.30 1zdyA1 ALA 137 HA -0.02 0.06 0.51 -0.75 4.34 4.14 1zdyA1 ALA 137 HB3 -0.01 0.02 0.03 -0.04 1.41 1.41 1zdyA1 ILE 138 H -0.10 0.34 -0.22 -0.55 8.25 7.72 1zdyA1 ILE 138 HA -0.53 0.06 0.41 -0.75 4.18 3.37 1zdyA1 ILE 138 HB -0.06 0.08 0.10 -0.04 1.89 1.97 1zdyA1 ILE 138 HG12 -0.19 0.02 -0.01 -0.04 1.49 1.26 1zdyA1 ILE 138 HG13 -0.11 0.13 0.10 -0.04 1.21 1.29 1zdyA1 ILE 138 HG23 -0.03 -0.08 -0.20 -0.04 0.93 0.58 1zdyA1 ILE 138 HD13 0.03 -0.02 -0.04 -0.04 0.88 0.81 1zdyA1 PRO 139 HA 0.02 0.13 0.36 -0.51 4.44 4.44 1zdyA1 PRO 139 HB2 0.07 -0.08 0.05 -0.04 2.28 2.28 1zdyA1 PRO 139 HB3 0.06 0.01 0.07 -0.04 2.02 2.12 1zdyA1 PRO 139 HG2 0.12 -0.01 0.09 -0.04 2.03 2.19 1zdyA1 PRO 139 HG3 0.03 0.10 0.13 -0.04 2.03 2.26 1zdyA1 PRO 139 HD2 -0.17 0.00 0.18 -0.04 3.68 3.65 1zdyA1 PRO 139 HD3 -0.45 0.24 0.29 -0.04 3.65 3.69 1zdyA1 SER 140 H 0.08 0.05 -0.29 -0.55 8.46 7.74 1zdyA1 SER 140 HA 0.22 0.20 0.64 -0.75 4.49 4.79 1zdyA1 SER 140 HB2 0.21 0.00 -0.01 -0.04 3.95 4.11 1zdyA1 SER 140 HB3 0.12 -0.02 -0.06 -0.04 3.93 3.93 1zdyA1 MET 141 H 0.07 0.48 -0.45 -0.55 8.47 8.03 1zdyA1 MET 141 HA 0.01 -0.03 0.36 -0.75 4.52 4.11 1zdyA1 MET 141 HB2 -0.02 -0.07 0.01 -0.04 2.15 2.03 1zdyA1 MET 141 HB3 -0.04 0.18 -0.06 -0.04 2.03 2.07 1zdyA1 MET 141 HG2 -0.07 0.02 -0.22 -0.04 2.63 2.32 1zdyA1 MET 141 HG3 -0.16 0.06 -0.13 -0.04 2.56 2.29 1zdyA1 MET 141 HE3 -0.01 0.00 -0.07 -0.04 2.10 1.98 1zdyA1 PRO 142 HA -0.83 0.15 0.40 -0.51 4.44 3.65 1zdyA1 PRO 142 HB2 -0.54 -0.13 -0.06 -0.04 2.28 1.52 1zdyA1 PRO 142 HB3 -0.88 0.20 -0.25 -0.04 2.02 1.05 1zdyA1 PRO 142 HG2 -1.13 -0.01 -0.16 -0.04 2.03 0.70 1zdyA1 PRO 142 HG3 -3.70 0.03 -0.12 -0.04 2.03 -1.81 1zdyA1 PRO 142 HD2 -0.48 0.05 0.07 -0.04 3.68 3.28 1zdyA1 PRO 142 HD3 -0.66 0.13 0.10 -0.04 3.65 3.18 1zdyA1 PRO 143 HA -0.05 0.13 0.41 -0.51 4.44 4.43 1zdyA1 PRO 143 HB2 -0.02 0.00 -0.01 -0.04 2.28 2.21 1zdyA1 PRO 143 HB3 -0.00 0.02 0.08 -0.04 2.02 2.07 1zdyA1 PRO 143 HG2 0.07 0.04 0.08 -0.04 2.03 2.18 1zdyA1 PRO 143 HG3 0.05 0.13 0.08 -0.04 2.03 2.25 1zdyA1 PRO 143 HD2 -0.03 0.11 0.22 -0.04 3.68 3.94 1zdyA1 PRO 143 HD3 0.05 0.20 0.22 -0.04 3.65 4.09 1zdyA1 ALA 144 H -0.16 0.19 -0.42 -0.55 8.40 7.46 1zdyA1 ALA 144 HA -0.08 0.01 0.30 -0.75 4.34 3.82 1zdyA1 ALA 144 HB3 -0.12 0.08 0.03 -0.04 1.41 1.36 1zdyA1 VAL 145 H -0.12 0.49 -0.47 -0.55 8.24 7.59 1zdyA1 VAL 145 HA 0.10 0.04 0.33 -0.75 4.13 3.84 1zdyA1 VAL 145 HB -0.05 0.13 -0.02 -0.04 2.12 2.14 1zdyA1 VAL 145 HG13 0.06 -0.01 -0.22 -0.04 0.97 0.76 1zdyA1 VAL 145 HG23 -0.11 -0.01 -0.09 -0.04 0.95 0.70 1zdyA1 ALA 146 H -0.03 0.30 -0.09 -0.55 8.40 8.03 1zdyA1 ALA 146 HA 0.01 0.01 0.42 -0.75 4.34 4.03 1zdyA1 ALA 146 HB3 -0.01 0.05 0.09 -0.04 1.41 1.50 1zdyA1 GLU 147 H -0.05 0.49 -0.20 -0.55 8.60 8.29 1zdyA1 GLU 147 HA -0.05 0.03 0.42 -0.75 4.29 3.93 1zdyA1 GLU 147 HB2 -0.07 0.06 0.03 -0.04 2.09 2.07 1zdyA1 GLU 147 HB3 -0.06 -0.05 0.11 -0.04 1.99 1.95 1zdyA1 GLU 147 HG2 -0.03 -0.05 -0.03 -0.04 2.34 2.20 1zdyA1 GLU 147 HG3 -0.04 0.33 0.02 -0.04 2.34 2.61 1zdyA1 ASN 148 H -0.14 0.40 -0.56 -0.55 8.53 7.68 1zdyA1 ASN 148 HA -0.27 0.13 0.90 -0.75 4.76 4.76 1zdyA1 ASN 148 HB2 -0.44 0.19 0.10 -0.04 2.88 2.69 1zdyA1 ASN 148 HB3 -1.08 -0.13 0.16 -0.04 2.79 1.69 1zdyA1 ASN 148 HD21 -0.12 0.45 0.09 -0.04 7.03 7.42 1zdyA1 ASN 148 HD22 -0.14 0.33 0.02 -0.04 7.74 7.91 1zdyA1 ALA 149 H -0.10 0.46 -0.24 -0.55 8.40 7.97 1zdyA1 ALA 149 HA 0.11 0.05 0.42 -0.75 4.34 4.16 1zdyA1 ALA 149 HB3 0.02 0.01 0.11 -0.04 1.41 1.51 1zdyA1 GLU 150 H -0.07 0.20 -0.15 -0.55 8.60 8.04 1zdyA1 GLU 150 HA -0.02 0.05 0.41 -0.75 4.29 3.98 1zdyA1 GLU 150 HB2 -0.05 0.03 0.04 -0.04 2.09 2.07 1zdyA1 GLU 150 HB3 -0.03 0.02 -0.00 -0.04 1.99 1.93 1zdyA1 GLU 150 HG2 -0.02 -0.01 0.02 -0.04 2.34 2.29 1zdyA1 GLU 150 HG3 -0.03 0.01 0.04 -0.04 2.34 2.31 1zdyA1 LEU 151 H -0.13 0.13 -0.32 -0.55 8.37 7.50 1zdyA1 LEU 151 HA 0.03 0.03 0.38 -0.75 4.35 4.03 1zdyA1 LEU 151 HB2 -0.10 -0.02 0.09 -0.04 1.64 1.57 1zdyA1 LEU 151 HB3 -0.31 0.17 0.14 -0.04 1.64 1.59 1zdyA1 LEU 151 HG 0.16 -0.04 -0.00 -0.04 1.64 1.72 1zdyA1 LEU 151 HD13 -0.08 0.01 -0.03 -0.04 0.93 0.79 1zdyA1 LEU 151 HD23 -0.06 0.00 -0.27 -0.04 0.89 0.53 1zdyA1 PHE 152 H -0.20 0.59 -0.05 -0.55 8.34 8.12 1zdyA1 PHE 152 HA -0.08 -0.00 0.39 -0.75 4.62 4.17 1zdyA1 PHE 152 HB2 -0.01 0.03 0.20 -0.04 3.15 3.33 1zdyA1 PHE 152 HB3 -0.12 0.23 0.09 -0.04 3.06 3.23 1zdyA1 PHE 152 HD2 -0.03 -0.05 -0.04 -0.04 7.28 7.12 1zdyA1 PHE 152 HE2 0.01 -0.02 -0.04 -0.04 7.38 7.29 1zdyA1 PHE 152 HZ 0.04 -0.04 -0.07 -0.04 7.32 7.20 1zdyA1 ALA 153 H 0.10 0.57 -0.13 -0.55 8.40 8.39 1zdyA1 ALA 153 HA 0.03 -0.02 0.35 -0.75 4.34 3.95 1zdyA1 ALA 153 HB3 0.02 0.01 0.10 -0.04 1.41 1.49 1zdyA1 ARG 154 H -0.02 0.51 -0.20 -0.55 8.46 8.20 1zdyA1 ARG 154 HA -0.14 -0.03 0.39 -0.75 4.34 3.81 1zdyA1 ARG 154 HB2 -0.13 -0.03 0.11 -0.04 1.90 1.81 1zdyA1 ARG 154 HB3 -0.15 0.18 0.16 -0.04 1.80 1.94 1zdyA1 ARG 154 HG2 -1.01 0.02 -0.17 -0.04 1.67 0.47 1zdyA1 ARG 154 HG3 -0.34 -0.06 0.08 -0.04 1.67 1.31 1zdyA1 ARG 154 HD2 -0.22 -0.03 -0.02 -0.04 3.22 2.90 1zdyA1 ARG 154 HD3 -0.14 -0.04 -0.00 -0.04 3.22 2.99 1zdyA1 TYR 155 H 0.08 0.41 -0.39 -0.55 8.29 7.84 1zdyA1 TYR 155 HA -0.02 0.17 0.92 -0.75 4.56 4.87 1zdyA1 TYR 155 HB2 -0.03 0.05 0.07 -0.04 3.06 3.11 1zdyA1 TYR 155 HB3 -0.03 -0.02 0.15 -0.04 2.98 3.03 1zdyA1 TYR 155 HD2 -0.01 0.16 0.00 -0.04 7.15 7.26 1zdyA1 TYR 155 HE2 -0.01 -0.04 -0.03 -0.04 6.85 6.72 1zdyA1 GLY 156 H -0.01 0.48 -0.26 -0.55 8.43 8.09 1zdyA1 GLY 156 HA2 -0.01 0.01 0.29 -0.51 4.01 3.79 1zdyA1 GLY 156 HA3 -0.00 -0.05 0.42 -0.51 4.01 3.87 1zdyA1 LEU 157 H -0.09 0.52 -0.23 -0.55 8.37 8.02 1zdyA1 LEU 157 HA -0.44 0.08 0.62 -0.75 4.35 3.86 1zdyA1 LEU 157 HB2 -0.54 -0.03 0.18 -0.04 1.64 1.20 1zdyA1 LEU 157 HB3 -2.45 -0.02 0.01 -0.04 1.64 -0.86 1zdyA1 LEU 157 HG -0.19 0.08 -0.16 -0.04 1.64 1.33 1zdyA1 LEU 157 HD13 -0.31 -0.01 -0.04 -0.04 0.93 0.52 1zdyA1 LEU 157 HD23 -0.40 0.01 -0.09 -0.04 0.89 0.37 1zdyA1 ASP 158 H 0.01 0.26 0.05 -0.55 8.40 8.17 1zdyA1 ASP 158 HA 0.10 0.09 0.90 -0.75 4.63 4.96 1zdyA1 ASP 158 HB2 0.02 0.00 -0.15 -0.04 2.71 2.55 1zdyA1 ASP 158 HB3 0.04 0.08 0.10 -0.04 2.70 2.88 1zdyA1 LYS 159 H 0.10 0.16 0.14 -0.55 8.42 8.27 1zdyA1 LYS 159 HA 0.03 0.23 0.51 -0.75 4.32 4.33 1zdyA1 LYS 159 HB2 0.07 0.06 0.05 -0.04 1.87 2.01 1zdyA1 LYS 159 HB3 0.04 0.03 -0.11 -0.04 1.79 1.71 1zdyA1 LYS 159 HG2 0.04 -0.08 0.00 -0.04 1.46 1.38 1zdyA1 LYS 159 HG3 0.04 0.02 -0.02 -0.04 1.46 1.45 1zdyA1 LYS 159 HD2 0.00 0.09 -0.17 -0.04 1.69 1.57 1zdyA1 LYS 159 HD3 0.00 -0.00 -0.31 -0.04 1.68 1.34 1zdyA1 LYS 159 HE2 0.02 -0.09 -0.08 -0.04 2.99 2.80 1zdyA1 LYS 159 HE3 0.01 -0.01 -0.04 -0.04 2.99 2.91 1zdyA1 VAL 160 H -0.08 0.58 0.18 -0.55 8.24 8.37 1zdyA1 VAL 160 HA -0.18 0.16 0.82 -0.75 4.13 4.17 1zdyA1 VAL 160 HB -0.22 0.07 0.03 -0.04 2.12 1.95 1zdyA1 VAL 160 HG13 -0.06 -0.05 -0.23 -0.04 0.97 0.60 1zdyA1 VAL 160 HG23 -0.63 0.02 -0.30 -0.04 0.95 -0.01 1zdyA1 GLN 161 H 0.01 0.65 0.28 -0.55 8.47 8.87 1zdyA1 GLN 161 HA 0.15 0.11 0.54 -0.75 4.36 4.41 1zdyA1 GLN 161 HB2 0.08 -0.04 0.03 -0.04 2.15 2.18 1zdyA1 GLN 161 HB3 0.03 0.08 0.06 -0.04 2.02 2.15 1zdyA1 GLN 161 HG2 0.08 -0.03 -0.05 -0.04 2.40 2.36 1zdyA1 GLN 161 HG3 0.03 -0.04 -0.15 -0.04 2.39 2.19 1zdyA1 GLN 161 HE21 0.12 -0.00 0.00 -0.04 6.97 7.05 1zdyA1 GLN 161 HE22 0.14 -0.13 0.22 -0.04 7.69 7.88 1zdyA1 MET 162 H 0.05 0.29 0.14 -0.55 8.47 8.41 1zdyA1 MET 162 HA -0.32 0.21 0.54 -0.75 4.52 4.19 1zdyA1 MET 162 HB2 -0.77 0.06 0.03 -0.04 2.15 1.43 1zdyA1 MET 162 HB3 -0.62 0.07 -0.04 -0.04 2.03 1.40 1zdyA1 MET 162 HG2 -0.45 -0.05 -0.21 -0.04 2.63 1.88 1zdyA1 MET 162 HG3 -0.69 -0.02 -0.36 -0.04 2.56 1.45 1zdyA1 MET 162 HE3 -1.14 -0.01 -0.23 -0.04 2.10 0.68 1zdyA1 THR 163 H -0.23 0.52 0.37 -0.55 8.28 8.39 1zdyA1 THR 163 HA 0.10 0.27 1.01 -0.75 4.39 5.02 1zdyA1 THR 163 HB -0.02 0.06 0.13 -0.04 4.32 4.44 1zdyA1 THR 163 HG23 0.16 -0.00 -0.15 -0.04 1.22 1.20 1zdyA1 SER 164 H -0.06 0.48 0.37 -0.55 8.46 8.69 1zdyA1 SER 164 HA -0.40 0.28 1.03 -0.75 4.49 4.64 1zdyA1 SER 164 HB2 -0.96 0.04 0.00 -0.04 3.95 3.00 1zdyA1 SER 164 HB3 -0.77 0.00 -0.16 -0.04 3.93 2.96 1zdyA1 MET 165 H -0.34 0.65 0.36 -0.55 8.47 8.58 1zdyA1 MET 165 HA -0.21 0.29 1.05 -0.75 4.52 4.90 1zdyA1 MET 165 HB2 -0.38 -0.08 0.14 -0.04 2.15 1.79 1zdyA1 MET 165 HB3 -0.53 0.02 -0.02 -0.04 2.03 1.46 1zdyA1 MET 165 HG2 -0.02 0.02 -0.09 -0.04 2.63 2.50 1zdyA1 MET 165 HG3 -0.10 0.08 -0.41 -0.04 2.56 2.09 1zdyA1 MET 165 HE3 -0.03 0.03 -0.34 -0.04 2.10 1.71 1zdyA1 ASP 166 H -0.20 0.76 0.31 -0.55 8.40 8.71 1zdyA1 ASP 166 HA -0.27 0.28 0.96 -0.75 4.63 4.84 1zdyA1 ASP 166 HB2 -0.13 0.06 -0.02 -0.04 2.71 2.58 1zdyA1 ASP 166 HB3 -0.08 -0.13 0.21 -0.04 2.70 2.66 1zdyA1 TYR 167 H -0.18 0.63 0.29 -0.55 8.29 8.48 1zdyA1 TYR 167 HA -0.03 0.02 0.46 -0.75 4.56 4.26 1zdyA1 TYR 167 HB2 -0.13 0.08 0.06 -0.04 3.06 3.03 1zdyA1 TYR 167 HB3 0.30 0.03 0.02 -0.04 2.98 3.29 1zdyA1 TYR 167 HD2 -0.31 0.01 -0.22 -0.04 7.15 6.59 1zdyA1 TYR 167 HE2 -0.49 0.04 -0.11 -0.04 6.85 6.25 1zdyA1 LYS 168 H 0.08 0.12 -0.02 -0.55 8.42 8.04 1zdyA1 LYS 168 HA 0.17 0.20 0.63 -0.75 4.32 4.57 1zdyA1 LYS 168 HB2 0.06 -0.07 0.10 -0.04 1.87 1.92 1zdyA1 LYS 168 HB3 0.09 0.05 0.02 -0.04 1.79 1.91 1zdyA1 LYS 168 HG2 0.31 0.06 0.02 -0.04 1.46 1.81 1zdyA1 LYS 168 HG3 0.23 -0.06 0.11 -0.04 1.46 1.70 1zdyA1 LYS 168 HD2 0.10 -0.06 -0.00 -0.04 1.69 1.68 1zdyA1 LYS 168 HD3 0.12 -0.01 0.01 -0.04 1.68 1.76 1zdyA1 LYS 168 HE2 0.35 -0.03 0.04 -0.04 2.99 3.30 1zdyA1 LYS 168 HE3 0.34 0.21 0.11 -0.04 2.99 3.60 1zdyA1 LYS 169 H 0.01 -0.02 -0.12 -0.55 8.42 7.73 1zdyA1 LYS 169 HA 0.01 0.21 0.62 -0.75 4.32 4.42 1zdyA1 LYS 169 HB2 -0.00 -0.06 -0.04 -0.04 1.87 1.72 1zdyA1 LYS 169 HB3 0.01 0.04 -0.00 -0.04 1.79 1.80 1zdyA1 LYS 169 HG2 0.02 0.07 -0.10 -0.04 1.46 1.41 1zdyA1 LYS 169 HG3 0.01 -0.08 -0.07 -0.04 1.46 1.28 1zdyA1 LYS 169 HD2 0.01 -0.03 -0.09 -0.04 1.69 1.54 1zdyA1 LYS 169 HD3 0.02 0.03 -0.07 -0.04 1.68 1.61 1zdyA1 LYS 169 HE2 0.02 0.03 -0.08 -0.04 2.99 2.92 1zdyA1 LYS 169 HE3 0.02 -0.02 -0.09 -0.04 2.99 2.85 1zdyA1 ARG 170 H -0.00 0.15 -0.34 -0.55 8.46 7.71 1zdyA1 ARG 170 HA 0.01 0.03 0.36 -0.75 4.34 3.98 1zdyA1 ARG 170 HB2 -0.03 0.18 -0.10 -0.04 1.90 1.91 1zdyA1 ARG 170 HB3 -0.03 -0.13 0.22 -0.04 1.80 1.82 1zdyA1 ARG 170 HG2 -0.25 -0.13 0.02 -0.04 1.67 1.27 1zdyA1 ARG 170 HG3 -0.09 0.16 -0.21 -0.04 1.67 1.49 1zdyA1 ARG 170 HD2 -0.66 -0.08 0.00 -0.04 3.22 2.45 1zdyA1 ARG 170 HD3 -0.65 -0.00 -0.02 -0.04 3.22 2.50 1zdyA1 GLN 171 H 0.05 0.22 0.17 -0.55 8.47 8.36 1zdyA1 GLN 171 HA 0.07 0.28 1.00 -0.75 4.36 4.96 1zdyA1 GLN 171 HB2 -0.01 -0.14 -0.08 -0.04 2.15 1.87 1zdyA1 GLN 171 HB3 -0.03 0.04 0.02 -0.04 2.02 2.01 1zdyA1 GLN 171 HG2 0.03 0.06 -0.11 -0.04 2.40 2.34 1zdyA1 GLN 171 HG3 0.04 0.14 -0.65 -0.04 2.39 1.88 1zdyA1 GLN 171 HE21 0.02 -0.02 -0.09 -0.04 6.97 6.84 1zdyA1 GLN 171 HE22 0.02 0.03 -0.08 -0.04 7.69 7.62 1zdyA1 VAL 172 H -0.14 0.65 0.37 -0.55 8.24 8.57 1zdyA1 VAL 172 HA -0.13 0.29 1.12 -0.75 4.13 4.66 1zdyA1 VAL 172 HB -0.30 -0.05 0.04 -0.04 2.12 1.77 1zdyA1 VAL 172 HG13 -0.15 0.03 -0.13 -0.04 0.97 0.68 1zdyA1 VAL 172 HG23 -0.25 -0.02 -0.18 -0.04 0.95 0.46 1zdyA1 ASN 173 H -0.15 0.44 0.33 -0.55 8.53 8.60 1zdyA1 ASN 173 HA -0.18 0.43 1.06 -0.75 4.76 5.32 1zdyA1 ASN 173 HB2 -0.19 -0.12 0.04 -0.04 2.88 2.56 1zdyA1 ASN 173 HB3 -0.72 0.06 -0.17 -0.04 2.79 1.92 1zdyA1 ASN 173 HD21 0.08 -0.01 -0.22 -0.04 7.03 6.84 1zdyA1 ASN 173 HD22 -0.04 -0.02 -0.20 -0.04 7.74 7.44 1zdyA1 LEU 174 H -0.28 0.52 0.21 -0.55 8.37 8.28 1zdyA1 LEU 174 HA -0.25 0.14 0.93 -0.75 4.35 4.41 1zdyA1 LEU 174 HB2 -0.48 0.02 0.17 -0.04 1.64 1.30 1zdyA1 LEU 174 HB3 -0.73 0.03 -0.04 -0.04 1.64 0.87 1zdyA1 LEU 174 HG -0.17 -0.01 -0.19 -0.04 1.64 1.23 1zdyA1 LEU 174 HD13 -0.16 0.00 -0.10 -0.04 0.93 0.64 1zdyA1 LEU 174 HD23 -0.16 0.02 -0.18 -0.04 0.89 0.53 1zdyA1 TYR 175 H -0.03 0.63 0.22 -0.55 8.29 8.56 1zdyA1 TYR 175 HA -0.13 0.20 0.78 -0.75 4.56 4.65 1zdyA1 TYR 175 HB2 -0.21 -0.07 0.18 -0.04 3.06 2.92 1zdyA1 TYR 175 HB3 -0.19 0.01 -0.04 -0.04 2.98 2.72 1zdyA1 TYR 175 HD2 -0.36 0.15 -0.29 -0.04 7.15 6.61 1zdyA1 TYR 175 HE2 -0.88 -0.04 -0.28 -0.04 6.85 5.61 1zdyA1 PHE 176 H -0.01 0.68 0.38 -0.55 8.34 8.84 1zdyA1 PHE 176 HA -0.06 0.20 0.68 -0.75 4.62 4.69 1zdyA1 PHE 176 HB2 -0.14 0.05 0.21 -0.04 3.15 3.23 1zdyA1 PHE 176 HB3 -0.09 0.02 0.05 -0.04 3.06 3.00 1zdyA1 PHE 176 HD2 -0.20 0.11 -0.19 -0.04 7.28 6.95 1zdyA1 PHE 176 HE2 -0.49 0.03 -0.19 -0.04 7.38 6.68 1zdyA1 PHE 176 HZ -1.25 -0.04 -0.10 -0.04 7.32 5.89 1zdyA1 SER 177 H 0.13 0.61 0.30 -0.55 8.46 8.96 1zdyA1 SER 177 HA 0.07 0.26 0.92 -0.75 4.49 4.98 1zdyA1 SER 177 HB2 0.07 -0.03 -0.09 -0.04 3.95 3.86 1zdyA1 SER 177 HB3 0.09 0.01 -0.05 -0.04 3.93 3.94 1zdyA1 GLU 178 H 0.14 0.17 0.17 -0.55 8.60 8.53 1zdyA1 GLU 178 HA 0.14 0.05 0.34 -0.75 4.29 4.06 1zdyA1 GLU 178 HB2 0.08 0.06 -0.02 -0.04 2.09 2.17 1zdyA1 GLU 178 HB3 0.07 -0.02 0.21 -0.04 1.99 2.22 1zdyA1 GLU 178 HG2 0.10 0.02 0.08 -0.04 2.34 2.50 1zdyA1 GLU 178 HG3 0.09 -0.05 -0.05 -0.04 2.34 2.30 1zdyA1 LEU 179 H 0.13 0.08 -0.23 -0.55 8.37 7.80 1zdyA1 LEU 179 HA 0.06 0.08 0.41 -0.75 4.35 4.14 1zdyA1 LEU 179 HB2 0.11 0.06 -0.05 -0.04 1.64 1.72 1zdyA1 LEU 179 HB3 0.07 0.04 -0.12 -0.04 1.64 1.59 1zdyA1 LEU 179 HG 0.06 -0.10 -0.26 -0.04 1.64 1.30 1zdyA1 LEU 179 HD13 0.01 -0.00 -0.37 -0.04 0.93 0.52 1zdyA1 LEU 179 HD23 0.03 0.02 -0.20 -0.04 0.89 0.70 1zdyA1 SER 180 H 0.04 0.15 0.23 -0.55 8.46 8.34 1zdyA1 SER 180 HA 0.05 0.12 0.50 -0.75 4.49 4.40 1zdyA1 SER 180 HB2 0.03 -0.09 0.16 -0.04 3.95 4.01 1zdyA1 SER 180 HB3 0.03 0.14 0.19 -0.04 3.93 4.25 1zdyA1 ALA 181 H 0.04 0.15 0.19 -0.55 8.40 8.23 1zdyA1 ALA 181 HA 0.05 0.23 0.41 -0.75 4.34 4.27 1zdyA1 ALA 181 HB3 0.03 0.01 0.11 -0.04 1.41 1.51 1zdyA1 GLN 182 H 0.03 0.05 -0.13 -0.55 8.47 7.87 1zdyA1 GLN 182 HA 0.03 0.03 0.36 -0.75 4.36 4.02 1zdyA1 GLN 182 HB2 0.01 -0.01 0.09 -0.04 2.15 2.20 1zdyA1 GLN 182 HB3 0.02 -0.02 0.06 -0.04 2.02 2.03 1zdyA1 GLN 182 HG2 0.00 0.03 -0.05 -0.04 2.40 2.34 1zdyA1 GLN 182 HG3 0.03 0.09 -0.35 -0.04 2.39 2.12 1zdyA1 GLN 182 HE21 0.01 -0.03 0.01 -0.04 6.97 6.91 1zdyA1 GLN 182 HE22 0.00 0.01 0.01 -0.04 7.69 7.67 1zdyA1 THR 183 H 0.04 0.04 -0.33 -0.55 8.28 7.49 1zdyA1 THR 183 HA 0.09 0.04 0.31 -0.75 4.39 4.08 1zdyA1 THR 183 HB 0.05 0.13 0.04 -0.04 4.32 4.50 1zdyA1 THR 183 HG23 0.05 0.02 -0.14 -0.04 1.22 1.10 1zdyA1 LEU 184 H 0.07 0.30 -0.39 -0.55 8.37 7.80 1zdyA1 LEU 184 HA 0.11 0.11 0.60 -0.75 4.35 4.42 1zdyA1 LEU 184 HB2 0.07 0.04 0.05 -0.04 1.64 1.75 1zdyA1 LEU 184 HB3 0.07 0.02 0.05 -0.04 1.64 1.73 1zdyA1 LEU 184 HG 0.09 -0.04 -0.16 -0.04 1.64 1.49 1zdyA1 LEU 184 HD13 0.10 0.00 -0.10 -0.04 0.93 0.90 1zdyA1 LEU 184 HD23 0.19 0.02 -0.17 -0.04 0.89 0.90 1zdyA1 GLU 185 H 0.05 0.34 -0.31 -0.55 8.60 8.12 1zdyA1 GLU 185 HA 0.01 0.06 0.50 -0.75 4.29 4.10 1zdyA1 GLU 185 HB2 0.03 0.22 0.19 -0.04 2.09 2.49 1zdyA1 GLU 185 HB3 0.02 -0.21 0.06 -0.04 1.99 1.82 1zdyA1 GLU 185 HG2 0.02 0.30 -0.03 -0.04 2.34 2.59 1zdyA1 GLU 185 HG3 0.02 -0.09 0.00 -0.04 2.34 2.23 1zdyA1 ALA 186 H -0.00 0.13 0.16 -0.55 8.40 8.15 1zdyA1 ALA 186 HA -0.02 0.13 0.32 -0.75 4.34 4.02 1zdyA1 ALA 186 HB3 -0.01 0.01 0.08 -0.04 1.41 1.44 1zdyA1 GLU 187 H 0.01 0.08 -0.14 -0.55 8.60 8.00 1zdyA1 GLU 187 HA 0.01 0.05 0.38 -0.75 4.29 3.98 1zdyA1 GLU 187 HB2 0.01 -0.02 0.08 -0.04 2.09 2.12 1zdyA1 GLU 187 HB3 0.02 0.00 0.04 -0.04 1.99 2.02 1zdyA1 GLU 187 HG2 0.03 0.05 -0.23 -0.04 2.34 2.15 1zdyA1 GLU 187 HG3 0.02 -0.01 0.02 -0.04 2.34 2.32 1zdyA1 SER 188 H 0.05 0.15 -0.26 -0.55 8.46 7.85 1zdyA1 SER 188 HA 0.17 -0.00 0.43 -0.75 4.49 4.33 1zdyA1 SER 188 HB2 0.09 -0.09 0.06 -0.04 3.95 3.96 1zdyA1 SER 188 HB3 0.08 0.23 0.10 -0.04 3.93 4.30 1zdyA1 VAL 189 H 0.04 0.55 -0.13 -0.55 8.24 8.16 1zdyA1 VAL 189 HA 0.06 0.05 0.36 -0.75 4.13 3.84 1zdyA1 VAL 189 HB -0.05 -0.00 0.05 -0.04 2.12 2.09 1zdyA1 VAL 189 HG13 -0.12 -0.03 -0.12 -0.04 0.97 0.66 1zdyA1 VAL 189 HG23 0.02 0.06 -0.09 -0.04 0.95 0.91 1zdyA1 LEU 190 H 0.00 0.61 -0.16 -0.55 8.37 8.28 1zdyA1 LEU 190 HA -0.03 0.02 0.39 -0.75 4.35 3.99 1zdyA1 LEU 190 HB2 0.00 0.09 0.13 -0.04 1.64 1.82 1zdyA1 LEU 190 HB3 -0.01 -0.06 -0.02 -0.04 1.64 1.51 1zdyA1 LEU 190 HG -0.03 0.09 0.04 -0.04 1.64 1.71 1zdyA1 LEU 190 HD13 -0.02 -0.04 -0.07 -0.04 0.93 0.76 1zdyA1 LEU 190 HD23 -0.04 0.01 0.00 -0.04 0.89 0.81 1zdyA1 ALA 191 H 0.06 0.52 -0.14 -0.55 8.40 8.29 1zdyA1 ALA 191 HA 0.05 -0.02 0.43 -0.75 4.34 4.05 1zdyA1 ALA 191 HB3 0.21 0.02 0.11 -0.04 1.41 1.71 1zdyA1 LEU 192 H -0.11 0.65 -0.14 -0.55 8.37 8.22 1zdyA1 LEU 192 HA -0.74 -0.01 0.40 -0.75 4.35 3.24 1zdyA1 LEU 192 HB2 -0.97 0.04 0.08 -0.04 1.64 0.75 1zdyA1 LEU 192 HB3 -0.22 0.14 0.16 -0.04 1.64 1.68 1zdyA1 LEU 192 HG -0.21 -0.03 -0.28 -0.04 1.64 1.08 1zdyA1 LEU 192 HD13 -0.55 -0.02 -0.04 -0.04 0.93 0.28 1zdyA1 LEU 192 HD23 -0.16 0.00 -0.06 -0.04 0.89 0.62 1zdyA1 VAL 193 H -0.07 0.66 -0.04 -0.55 8.24 8.23 1zdyA1 VAL 193 HA -0.04 -0.02 0.30 -0.75 4.13 3.62 1zdyA1 VAL 193 HB -0.01 0.05 -0.15 -0.04 2.12 1.97 1zdyA1 VAL 193 HG13 0.03 0.06 0.01 -0.04 0.97 1.02 1zdyA1 VAL 193 HG23 -0.04 0.01 0.03 -0.04 0.95 0.91 1zdyA1 ARG 194 H -0.04 0.44 -0.44 -0.55 8.46 7.86 1zdyA1 ARG 194 HA -0.02 0.02 0.43 -0.75 4.34 4.02 1zdyA1 ARG 194 HB2 -0.01 -0.02 0.10 -0.04 1.90 1.93 1zdyA1 ARG 194 HB3 0.00 0.19 0.24 -0.04 1.80 2.19 1zdyA1 ARG 194 HG2 0.01 -0.06 -0.02 -0.04 1.67 1.56 1zdyA1 ARG 194 HG3 0.00 0.02 -0.36 -0.04 1.67 1.29 1zdyA1 ARG 194 HD2 -0.01 -0.04 -0.02 -0.04 3.22 3.11 1zdyA1 ARG 194 HD3 -0.01 0.01 0.06 -0.04 3.22 3.24 1zdyA1 GLU 195 H -0.03 0.56 -0.01 -0.55 8.60 8.57 1zdyA1 GLU 195 HA -0.00 0.00 0.43 -0.75 4.29 3.97 1zdyA1 GLU 195 HB2 0.06 0.07 0.15 -0.04 2.09 2.33 1zdyA1 GLU 195 HB3 -0.02 0.06 0.06 -0.04 1.99 2.05 1zdyA1 GLU 195 HG2 0.00 -0.01 0.03 -0.04 2.34 2.31 1zdyA1 GLU 195 HG3 0.02 -0.04 0.08 -0.04 2.34 2.36 1zdyA1 LEU 196 H -0.06 0.39 -0.36 -0.55 8.37 7.80 1zdyA1 LEU 196 HA -0.04 0.07 0.65 -0.75 4.35 4.28 1zdyA1 LEU 196 HB2 -0.05 0.04 -0.02 -0.04 1.64 1.56 1zdyA1 LEU 196 HB3 -0.04 -0.03 0.02 -0.04 1.64 1.54 1zdyA1 LEU 196 HG -0.11 0.12 -0.05 -0.04 1.64 1.57 1zdyA1 LEU 196 HD13 -0.06 -0.03 -0.12 -0.04 0.93 0.69 1zdyA1 LEU 196 HD23 -0.07 -0.01 -0.04 -0.04 0.89 0.72 1zdyA1 GLY 197 H -0.03 0.31 -0.45 -0.55 8.43 7.72 1zdyA1 GLY 197 HA2 -0.01 0.02 0.32 -0.51 4.01 3.83 1zdyA1 GLY 197 HA3 -0.01 -0.05 0.38 -0.51 4.01 3.82 1zdyA1 LEU 198 H -0.02 0.54 -0.03 -0.55 8.37 8.31 1zdyA1 LEU 198 HA 0.02 0.14 0.63 -0.75 4.35 4.39 1zdyA1 LEU 198 HB2 0.01 -0.03 -0.13 -0.04 1.64 1.44 1zdyA1 LEU 198 HB3 0.02 -0.08 -0.26 -0.04 1.64 1.28 1zdyA1 LEU 198 HG -0.02 0.00 -0.47 -0.04 1.64 1.12 1zdyA1 LEU 198 HD13 -0.02 -0.00 -0.15 -0.04 0.93 0.72 1zdyA1 LEU 198 HD23 -0.01 0.03 -0.30 -0.04 0.89 0.57 1zdyA1 HIS 199 H 0.12 0.51 0.07 -0.55 8.41 8.56 1zdyA1 HIS 199 HA -0.01 -0.00 0.29 -0.75 4.63 4.16 1zdyA1 HIS 199 HB2 -0.01 0.05 -0.07 -0.04 3.26 3.19 1zdyA1 HIS 199 HB3 -0.03 -0.07 0.00 -0.04 3.20 3.07 1zdyA1 HIS 199 HD2 -0.03 -0.06 -0.46 -0.04 6.97 6.37 1zdyA1 HIS 199 HE1 -0.00 -0.04 -0.02 -0.04 7.75 7.65 1zdyA1 VAL 200 H -0.40 0.07 0.11 -0.55 8.24 7.48 1zdyA1 VAL 200 HA -0.11 0.18 0.52 -0.75 4.13 3.97 1zdyA1 VAL 200 HB -0.21 -0.10 0.12 -0.04 2.12 1.89 1zdyA1 VAL 200 HG13 -0.09 0.01 -0.13 -0.04 0.97 0.72 1zdyA1 VAL 200 HG23 -0.09 0.02 0.00 -0.04 0.95 0.84 1zdyA1 PRO 201 HA 0.04 -0.00 0.51 -0.51 4.44 4.48 1zdyA1 PRO 201 HB2 -0.06 -0.08 -0.08 -0.04 2.28 2.02 1zdyA1 PRO 201 HB3 -0.02 0.06 -0.00 -0.04 2.02 2.01 1zdyA1 PRO 201 HG2 -0.07 -0.02 -0.00 -0.04 2.03 1.90 1zdyA1 PRO 201 HG3 -0.12 0.07 -0.04 -0.04 2.03 1.90 1zdyA1 PRO 201 HD2 -0.06 0.06 0.18 -0.04 3.68 3.82 1zdyA1 PRO 201 HD3 -0.02 0.35 0.19 -0.04 3.65 4.13 1zdyA1 ASN 202 H 0.01 0.02 0.14 -0.55 8.53 8.15 1zdyA1 ASN 202 HA -0.03 0.29 0.69 -0.75 4.76 4.97 1zdyA1 ASN 202 HB2 -0.01 -0.10 0.22 -0.04 2.88 2.95 1zdyA1 ASN 202 HB3 0.00 0.14 0.09 -0.04 2.79 2.98 1zdyA1 ASN 202 HD21 0.01 0.01 0.02 -0.04 7.03 7.04 1zdyA1 ASN 202 HD22 0.02 0.09 0.05 -0.04 7.74 7.86 1zdyA1 GLU 203 H -0.01 0.18 0.14 -0.55 8.60 8.36 1zdyA1 GLU 203 HA -0.02 0.13 0.38 -0.75 4.29 4.02 1zdyA1 GLU 203 HB2 -0.01 0.03 0.15 -0.04 2.09 2.22 1zdyA1 GLU 203 HB3 -0.01 -0.02 0.09 -0.04 1.99 2.01 1zdyA1 GLU 203 HG2 -0.01 0.02 -0.09 -0.04 2.34 2.22 1zdyA1 GLU 203 HG3 -0.01 0.02 0.04 -0.04 2.34 2.35 1zdyA1 LEU 204 H -0.02 0.07 -0.09 -0.55 8.37 7.79 1zdyA1 LEU 204 HA -0.01 0.13 0.38 -0.75 4.35 4.10 1zdyA1 LEU 204 HB2 -0.03 0.01 0.02 -0.04 1.64 1.61 1zdyA1 LEU 204 HB3 -0.03 -0.08 -0.00 -0.04 1.64 1.48 1zdyA1 LEU 204 HG -0.07 0.04 -0.31 -0.04 1.64 1.25 1zdyA1 LEU 204 HD13 -0.04 0.03 -0.04 -0.04 0.93 0.84 1zdyA1 LEU 204 HD23 -0.11 0.02 -0.36 -0.04 0.89 0.40 1zdyA1 GLY 205 H -0.02 -0.04 -0.31 -0.55 8.43 7.52 1zdyA1 GLY 205 HA2 -0.04 0.11 0.40 -0.51 4.01 3.98 1zdyA1 GLY 205 HA3 -0.03 -0.00 0.26 -0.51 4.01 3.73 1zdyA1 LEU 206 H -0.03 0.60 -0.18 -0.55 8.37 8.20 1zdyA1 LEU 206 HA -0.12 0.06 0.40 -0.75 4.35 3.95 1zdyA1 LEU 206 HB2 -0.03 0.04 0.07 -0.04 1.64 1.68 1zdyA1 LEU 206 HB3 -0.05 -0.05 -0.01 -0.04 1.64 1.49 1zdyA1 LEU 206 HG -0.06 0.06 -0.16 -0.04 1.64 1.44 1zdyA1 LEU 206 HD13 -0.03 -0.03 -0.12 -0.04 0.93 0.70 1zdyA1 LEU 206 HD23 -0.09 -0.01 -0.03 -0.04 0.89 0.72 1zdyA1 LYS 207 H -0.00 0.46 -0.23 -0.55 8.42 8.09 1zdyA1 LYS 207 HA -0.01 0.02 0.43 -0.75 4.32 4.01 1zdyA1 LYS 207 HB2 -0.00 -0.02 0.11 -0.04 1.87 1.92 1zdyA1 LYS 207 HB3 0.02 0.12 0.14 -0.04 1.79 2.03 1zdyA1 LYS 207 HG2 0.01 0.04 -0.17 -0.04 1.46 1.29 1zdyA1 LYS 207 HG3 -0.00 -0.02 0.03 -0.04 1.46 1.42 1zdyA1 LYS 207 HD2 -0.01 -0.05 -0.02 -0.04 1.69 1.57 1zdyA1 LYS 207 HD3 -0.00 -0.01 -0.03 -0.04 1.68 1.59 1zdyA1 LYS 207 HE2 -0.01 -0.00 -0.03 -0.04 2.99 2.92 1zdyA1 LYS 207 HE3 -0.01 -0.04 -0.03 -0.04 2.99 2.87 1zdyA1 PHE 208 H 0.12 0.36 -0.28 -0.55 8.34 7.99 1zdyA1 PHE 208 HA -0.04 0.04 0.40 -0.75 4.62 4.26 1zdyA1 PHE 208 HB2 -0.07 0.00 0.10 -0.04 3.15 3.14 1zdyA1 PHE 208 HB3 -0.08 0.15 0.19 -0.04 3.06 3.28 1zdyA1 PHE 208 HD2 -0.07 0.07 -0.16 -0.04 7.28 7.07 1zdyA1 PHE 208 HE2 0.01 0.08 -0.16 -0.04 7.38 7.26 1zdyA1 PHE 208 HZ 0.20 -0.03 -0.45 -0.04 7.32 6.99 1zdyA1 CYS 209 H 0.01 0.45 -0.09 -0.55 8.50 8.33 1zdyA1 CYS 209 HA -0.06 -0.03 0.35 -0.75 4.58 4.08 1zdyA1 CYS 209 HB2 -0.25 0.09 0.16 -0.04 2.97 2.92 1zdyA1 CYS 209 HB3 -0.51 0.01 0.01 -0.04 2.97 2.44 1zdyA1 LYS 210 H -0.05 0.43 -0.25 -0.55 8.42 7.99 1zdyA1 LYS 210 HA 0.01 0.09 0.41 -0.75 4.32 4.08 1zdyA1 LYS 210 HB2 -0.01 -0.01 0.14 -0.04 1.87 1.95 1zdyA1 LYS 210 HB3 -0.01 0.11 0.11 -0.04 1.79 1.95 1zdyA1 LYS 210 HG2 0.01 0.03 -0.08 -0.04 1.46 1.37 1zdyA1 LYS 210 HG3 0.02 -0.02 0.01 -0.04 1.46 1.42 1zdyA1 LYS 210 HD2 0.01 -0.07 -0.00 -0.04 1.69 1.59 1zdyA1 LYS 210 HD3 -0.00 -0.10 0.02 -0.04 1.68 1.56 1zdyA1 LYS 210 HE2 -0.01 0.10 0.05 -0.04 2.99 3.08 1zdyA1 LYS 210 HE3 -0.00 0.03 -0.03 -0.04 2.99 2.95 1zdyA1 ARG 211 H -0.09 0.30 -0.48 -0.55 8.46 7.64 1zdyA1 ARG 211 HA 0.03 0.08 0.61 -0.75 4.34 4.30 1zdyA1 ARG 211 HB2 -0.06 -0.05 0.08 -0.04 1.90 1.83 1zdyA1 ARG 211 HB3 -0.23 0.12 0.11 -0.04 1.80 1.76 1zdyA1 ARG 211 HG2 -0.08 -0.06 0.03 -0.04 1.67 1.52 1zdyA1 ARG 211 HG3 0.00 0.05 0.16 -0.04 1.67 1.84 1zdyA1 ARG 211 HD2 -0.05 -0.04 0.01 -0.04 3.22 3.10 1zdyA1 ARG 211 HD3 -0.14 -0.04 -0.01 -0.04 3.22 2.98 1zdyA1 SER 212 H -0.03 0.35 -0.35 -0.55 8.46 7.88 1zdyA1 SER 212 HA -0.04 0.01 0.39 -0.75 4.49 4.10 1zdyA1 SER 212 HB2 0.13 0.10 0.08 -0.04 3.95 4.22 1zdyA1 SER 212 HB3 0.02 -0.07 0.16 -0.04 3.93 4.00 1zdyA1 PHE 213 H -0.07 0.45 0.47 -0.55 8.34 8.63 1zdyA1 PHE 213 HA -0.50 0.21 0.94 -0.75 4.62 4.53 1zdyA1 PHE 213 HB2 -1.90 -0.06 0.17 -0.04 3.15 1.31 1zdyA1 PHE 213 HB3 -0.99 0.07 0.12 -0.04 3.06 2.22 1zdyA1 PHE 213 HD2 -0.23 -0.01 -0.03 -0.04 7.28 6.97 1zdyA1 PHE 213 HE2 -0.00 -0.04 -0.28 -0.04 7.38 7.01 1zdyA1 PHE 213 HZ 0.03 -0.04 -0.18 -0.04 7.32 7.09 1zdyA1 SER 214 H -0.52 0.27 0.28 -0.55 8.46 7.94 1zdyA1 SER 214 HA -0.21 0.34 0.79 -0.75 4.49 4.65 1zdyA1 SER 214 HB2 -0.80 0.03 -0.17 -0.04 3.95 2.97 1zdyA1 SER 214 HB3 -0.91 -0.11 -0.04 -0.04 3.93 2.83 1zdyA1 VAL 215 H -0.02 0.49 0.26 -0.55 8.24 8.42 1zdyA1 VAL 215 HA -0.29 0.26 1.02 -0.75 4.13 4.37 1zdyA1 VAL 215 HB -0.11 -0.03 0.07 -0.04 2.12 2.01 1zdyA1 VAL 215 HG13 -0.56 0.00 -0.14 -0.04 0.97 0.23 1zdyA1 VAL 215 HG23 -0.19 -0.01 -0.19 -0.04 0.95 0.52 1zdyA1 TYR 216 H -0.41 0.63 0.31 -0.55 8.29 8.27 1zdyA1 TYR 216 HA -0.19 0.37 1.11 -0.75 4.56 5.10 1zdyA1 TYR 216 HB2 -0.74 -0.01 -0.16 -0.04 3.06 2.10 1zdyA1 TYR 216 HB3 -0.66 -0.05 -0.20 -0.04 2.98 2.03 1zdyA1 TYR 216 HD2 -0.26 -0.00 -0.29 -0.04 7.15 6.56 1zdyA1 TYR 216 HE2 0.02 -0.01 -0.25 -0.04 6.85 6.56 1zdyA1 PRO 217 HA -0.10 0.26 0.92 -0.51 4.44 5.02 1zdyA1 PRO 217 HB2 0.09 0.04 0.04 -0.04 2.28 2.41 1zdyA1 PRO 217 HB3 0.06 0.03 0.10 -0.04 2.02 2.16 1zdyA1 PRO 217 HG2 0.02 -0.07 0.07 -0.04 2.03 2.01 1zdyA1 PRO 217 HG3 0.12 0.05 0.05 -0.04 2.03 2.21 1zdyA1 PRO 217 HD2 -0.02 0.44 0.44 -0.04 3.68 4.50 1zdyA1 PRO 217 HD3 0.09 0.11 0.09 -0.04 3.65 3.90 1zdyA1 THR 218 H -0.05 0.47 0.37 -0.55 8.28 8.53 1zdyA1 THR 218 HA -0.07 0.31 1.01 -0.75 4.39 4.88 1zdyA1 THR 218 HB -0.03 -0.13 0.14 -0.04 4.32 4.26 1zdyA1 THR 218 HG23 -0.03 -0.01 -0.15 -0.04 1.22 0.99 1zdyA1 LEU 219 H -0.11 0.69 0.40 -0.55 8.37 8.80 1zdyA1 LEU 219 HA -0.07 0.17 0.94 -0.75 4.35 4.63 1zdyA1 LEU 219 HB2 -0.18 -0.02 -0.02 -0.04 1.64 1.38 1zdyA1 LEU 219 HB3 -0.15 0.02 0.03 -0.04 1.64 1.50 1zdyA1 LEU 219 HG 0.01 0.05 -0.40 -0.04 1.64 1.25 1zdyA1 LEU 219 HD13 0.01 0.02 -0.21 -0.04 0.93 0.70 1zdyA1 LEU 219 HD23 0.04 0.00 -0.29 -0.04 0.89 0.60 1zdyA1 ASN 220 H -0.11 0.33 0.23 -0.55 8.53 8.42 1zdyA1 ASN 220 HA -0.06 0.22 0.94 -0.75 4.76 5.11 1zdyA1 ASN 220 HB2 0.11 0.06 0.28 -0.04 2.88 3.28 1zdyA1 ASN 220 HB3 0.02 0.05 -0.07 -0.04 2.79 2.74 1zdyA1 ASN 220 HD21 -0.00 0.03 0.01 -0.04 7.03 7.02 1zdyA1 ASN 220 HD22 -0.01 -0.00 -0.03 -0.04 7.74 7.66 1zdyA1 TRP 221 H 0.46 0.28 0.25 -0.55 7.97 8.41 1zdyA1 TRP 221 HA -0.01 0.11 0.72 -0.75 4.62 4.70 1zdyA1 TRP 221 HB2 -0.02 0.02 0.15 -0.04 3.23 3.34 1zdyA1 TRP 221 HB3 0.02 0.04 0.09 -0.04 3.23 3.34 1zdyA1 TRP 221 HD1 0.02 0.04 0.01 -0.04 7.22 7.25 1zdyA1 TRP 221 HE1 0.01 0.30 -0.32 -0.04 10.20 10.15 1zdyA1 TRP 221 HE3 -0.05 0.20 0.05 -0.04 7.59 7.75 1zdyA1 TRP 221 HZ2 -0.02 0.25 -0.11 -0.04 7.44 7.52 1zdyA1 TRP 221 HZ3 -0.11 -0.05 -0.45 -0.04 7.13 6.48 1zdyA1 TRP 221 HH2 -0.11 -0.04 -0.13 -0.04 7.19 6.87 1zdyA1 GLU 222 H 0.14 0.03 -0.01 -0.55 8.60 8.21 1zdyA1 GLU 222 HA 0.11 0.16 0.67 -0.75 4.29 4.47 1zdyA1 GLU 222 HB2 0.06 -0.02 0.10 -0.04 2.09 2.18 1zdyA1 GLU 222 HB3 0.05 0.02 0.04 -0.04 1.99 2.06 1zdyA1 GLU 222 HG2 0.09 -0.06 0.08 -0.04 2.34 2.41 1zdyA1 GLU 222 HG3 0.05 0.04 0.04 -0.04 2.34 2.43 1zdyA1 THR 223 H 0.03 0.11 -0.02 -0.55 8.28 7.85 1zdyA1 THR 223 HA 0.01 0.25 0.85 -0.75 4.39 4.74 1zdyA1 THR 223 HB -0.00 -0.03 0.14 -0.04 4.32 4.38 1zdyA1 THR 223 HG23 0.02 0.02 -0.19 -0.04 1.22 1.02 1zdyA1 GLY 224 H -0.02 0.18 0.11 -0.55 8.43 8.15 1zdyA1 GLY 224 HA2 -0.06 0.11 0.68 -0.51 4.01 4.23 1zdyA1 GLY 224 HA3 -0.04 0.04 0.31 -0.51 4.01 3.81 1zdyA1 LYS 225 H -0.03 -0.03 -0.32 -0.55 8.42 7.48 1zdyA1 LYS 225 HA -0.05 0.16 0.72 -0.75 4.32 4.40 1zdyA1 LYS 225 HB2 -0.02 -0.06 0.03 -0.04 1.87 1.77 1zdyA1 LYS 225 HB3 -0.02 -0.06 0.01 -0.04 1.79 1.68 1zdyA1 LYS 225 HG2 -0.02 0.27 -0.21 -0.04 1.46 1.46 1zdyA1 LYS 225 HG3 -0.03 0.02 0.04 -0.04 1.46 1.45 1zdyA1 LYS 225 HD2 -0.01 0.11 -0.01 -0.04 1.69 1.74 1zdyA1 LYS 225 HD3 -0.01 -0.09 -0.01 -0.04 1.68 1.52 1zdyA1 LYS 225 HE2 -0.01 -0.12 -0.07 -0.04 2.99 2.75 1zdyA1 LYS 225 HE3 -0.01 0.14 -0.10 -0.04 2.99 2.97 1zdyA1 ILE 226 H -0.05 0.16 0.17 -0.55 8.25 7.98 1zdyA1 ILE 226 HA -0.03 0.06 0.59 -0.75 4.18 4.04 1zdyA1 ILE 226 HB -0.03 0.03 0.14 -0.04 1.89 1.99 1zdyA1 ILE 226 HG12 0.04 -0.01 -0.04 -0.04 1.49 1.43 1zdyA1 ILE 226 HG13 -0.06 0.02 0.04 -0.04 1.21 1.17 1zdyA1 ILE 226 HG23 -0.01 -0.01 -0.07 -0.04 0.93 0.80 1zdyA1 ILE 226 HD13 0.04 -0.00 -0.01 -0.04 0.88 0.86 1zdyA1 ASP 227 H -0.03 0.48 0.36 -0.55 8.40 8.66 1zdyA1 ASP 227 HA -0.01 0.09 0.48 -0.75 4.63 4.44 1zdyA1 ASP 227 HB2 -0.02 -0.05 0.05 -0.04 2.71 2.65 1zdyA1 ASP 227 HB3 0.00 -0.05 -0.02 -0.04 2.70 2.59 1zdyA1 ARG 228 H -0.03 0.20 0.21 -0.55 8.46 8.28 1zdyA1 ARG 228 HA -0.03 0.24 0.58 -0.75 4.34 4.38 1zdyA1 ARG 228 HB2 -0.06 0.01 -0.03 -0.04 1.90 1.77 1zdyA1 ARG 228 HB3 -0.00 0.09 -0.05 -0.04 1.80 1.80 1zdyA1 ARG 228 HG2 -0.02 -0.11 -0.23 -0.04 1.67 1.28 1zdyA1 ARG 228 HG3 -0.07 0.00 -0.27 -0.04 1.67 1.29 1zdyA1 ARG 228 HD2 0.00 -0.01 -0.22 -0.04 3.22 2.95 1zdyA1 ARG 228 HD3 0.06 0.01 -0.19 -0.04 3.22 3.06 1zdyA1 LEU 229 H -0.10 0.62 0.34 -0.55 8.37 8.69 1zdyA1 LEU 229 HA -0.21 0.17 0.93 -0.75 4.35 4.49 1zdyA1 LEU 229 HB2 -0.09 0.02 -0.15 -0.04 1.64 1.37 1zdyA1 LEU 229 HB3 -0.05 0.00 0.10 -0.04 1.64 1.65 1zdyA1 LEU 229 HG -0.49 0.00 -0.26 -0.04 1.64 0.85 1zdyA1 LEU 229 HD13 -0.23 0.00 -0.18 -0.04 0.93 0.48 1zdyA1 LEU 229 HD23 -0.06 0.01 -0.12 -0.04 0.89 0.68 1zdyA1 CYS 230 H -0.55 0.55 0.24 -0.55 8.50 8.19 1zdyA1 CYS 230 HA -0.26 0.36 1.20 -0.75 4.58 5.13 1zdyA1 CYS 230 HB2 -0.60 -0.06 -0.17 -0.04 2.97 2.10 1zdyA1 CYS 230 HB3 -1.92 0.01 0.02 -0.04 2.97 1.05 1zdyA1 PHE 231 H 0.16 0.56 0.36 -0.55 8.34 8.87 1zdyA1 PHE 231 HA -0.06 0.23 1.02 -0.75 4.62 5.05 1zdyA1 PHE 231 HB2 0.18 -0.07 0.18 -0.04 3.15 3.41 1zdyA1 PHE 231 HB3 0.08 0.10 0.06 -0.04 3.06 3.26 1zdyA1 PHE 231 HD2 -0.03 0.10 0.01 -0.04 7.28 7.32 1zdyA1 PHE 231 HE2 -0.05 0.04 -0.09 -0.04 7.38 7.25 1zdyA1 PHE 231 HZ -0.06 0.01 -0.06 -0.04 7.32 7.17 1zdyA1 ALA 232 H -0.00 0.68 0.35 -0.55 8.40 8.89 1zdyA1 ALA 232 HA 0.31 0.37 1.18 -0.75 4.34 5.44 1zdyA1 ALA 232 HB3 0.07 -0.03 -0.09 -0.04 1.41 1.32 1zdyA1 VAL 233 H 0.36 0.65 0.29 -0.55 8.24 8.99 1zdyA1 VAL 233 HA 0.20 0.15 0.91 -0.75 4.13 4.64 1zdyA1 VAL 233 HB -0.11 -0.10 0.04 -0.04 2.12 1.91 1zdyA1 VAL 233 HG13 -0.06 0.02 -0.23 -0.04 0.97 0.66 1zdyA1 VAL 233 HG23 -0.91 0.01 -0.34 -0.04 0.95 -0.32 1zdyA1 ILE 234 H 0.10 0.25 0.16 -0.55 8.25 8.20 1zdyA1 ILE 234 HA 0.08 0.32 1.11 -0.75 4.18 4.94 1zdyA1 ILE 234 HB -0.75 -0.07 -0.03 -0.04 1.89 1.00 1zdyA1 ILE 234 HG12 -0.21 -0.01 -0.16 -0.04 1.49 1.07 1zdyA1 ILE 234 HG13 -0.20 0.17 0.05 -0.04 1.21 1.18 1zdyA1 ILE 234 HG23 -0.45 -0.01 -0.06 -0.04 0.93 0.37 1zdyA1 ILE 234 HD13 -0.43 -0.04 -0.07 -0.04 0.88 0.30 1zdyA1 SER 235 H 0.07 0.68 0.40 -0.55 8.46 9.06 1zdyA1 SER 235 HA 0.03 0.09 0.54 -0.75 4.49 4.40 1zdyA1 SER 235 HB2 0.08 0.24 -0.23 -0.04 3.95 4.00 1zdyA1 SER 235 HB3 0.23 0.04 -0.15 -0.04 3.93 4.00 1zdyA1 ASN 236 H 0.05 0.15 0.20 -0.55 8.53 8.38 1zdyA1 ASN 236 HA 0.04 0.41 0.88 -0.75 4.76 5.34 1zdyA1 ASN 236 HB2 0.02 -0.01 0.08 -0.04 2.88 2.92 1zdyA1 ASN 236 HB3 0.02 -0.03 0.10 -0.04 2.79 2.84 1zdyA1 ASN 236 HD21 0.00 -0.07 -0.26 -0.04 7.03 6.66 1zdyA1 ASN 236 HD22 0.01 0.62 -0.11 -0.04 7.74 8.23 1zdyA1 ASP 237 H 0.09 -0.03 0.02 -0.55 8.40 7.94 1zdyA1 ASP 237 HA 0.08 0.16 0.55 -0.75 4.63 4.67 1zdyA1 ASP 237 HB2 0.05 0.04 0.10 -0.04 2.71 2.86 1zdyA1 ASP 237 HB3 0.07 -0.01 0.10 -0.04 2.70 2.83 1zdyA1 PRO 238 HA 0.26 0.13 0.45 -0.51 4.44 4.77 1zdyA1 PRO 238 HB2 -0.07 0.04 0.07 -0.04 2.28 2.28 1zdyA1 PRO 238 HB3 -0.00 0.16 -0.04 -0.04 2.02 2.09 1zdyA1 PRO 238 HG2 0.21 -0.02 -0.06 -0.04 2.03 2.12 1zdyA1 PRO 238 HG3 0.05 0.06 0.03 -0.04 2.03 2.13 1zdyA1 PRO 238 HD2 0.10 -0.00 0.22 -0.04 3.68 3.95 1zdyA1 PRO 238 HD3 0.06 0.40 0.29 -0.04 3.65 4.37 1zdyA1 THR 239 H 0.16 0.06 -0.50 -0.55 8.28 7.45 1zdyA1 THR 239 HA 0.22 0.27 0.94 -0.75 4.39 5.07 1zdyA1 THR 239 HB 0.06 0.01 0.12 -0.04 4.32 4.47 1zdyA1 THR 239 HG23 0.17 0.01 -0.14 -0.04 1.22 1.22 1zdyA1 LEU 240 H 0.01 0.21 -0.26 -0.55 8.37 7.78 1zdyA1 LEU 240 HA -0.13 0.21 0.47 -0.75 4.35 4.15 1zdyA1 LEU 240 HB2 -1.46 0.03 -0.08 -0.04 1.64 0.10 1zdyA1 LEU 240 HB3 -0.34 0.01 0.02 -0.04 1.64 1.29 1zdyA1 LEU 240 HG -0.07 -0.02 -0.09 -0.04 1.64 1.42 1zdyA1 LEU 240 HD13 -0.09 0.01 -0.08 -0.04 0.93 0.73 1zdyA1 LEU 240 HD23 -0.05 0.01 -0.16 -0.04 0.89 0.64 1zdyA1 VAL 241 H 0.05 0.10 -0.34 -0.55 8.24 7.50 1zdyA1 VAL 241 HA -0.15 0.08 0.26 -0.75 4.13 3.57 1zdyA1 VAL 241 HB -0.11 0.04 -0.04 -0.04 2.12 1.97 1zdyA1 VAL 241 HG13 -0.17 -0.00 -0.15 -0.04 0.97 0.60 1zdyA1 VAL 241 HG23 -1.06 -0.03 -0.18 -0.04 0.95 -0.35 1zdyA1 PRO 242 HA -0.23 0.15 0.44 -0.51 4.44 4.29 1zdyA1 PRO 242 HB2 -0.29 -0.11 0.10 -0.04 2.28 1.93 1zdyA1 PRO 242 HB3 -0.27 0.12 0.06 -0.04 2.02 1.89 1zdyA1 PRO 242 HG2 -0.46 -0.06 -0.00 -0.04 2.03 1.46 1zdyA1 PRO 242 HG3 -1.54 0.06 -0.00 -0.04 2.03 0.51 1zdyA1 PRO 242 HD2 -0.44 -0.01 0.10 -0.04 3.68 3.30 1zdyA1 PRO 242 HD3 -0.50 0.26 0.12 -0.04 3.65 3.48 1zdyA1 SER 243 H -0.41 0.68 -0.31 -0.55 8.46 7.87 1zdyA1 SER 243 HA -0.43 0.14 0.87 -0.75 4.49 4.32 1zdyA1 SER 243 HB2 -1.54 0.05 -0.19 -0.04 3.95 2.23 1zdyA1 SER 243 HB3 -0.51 0.08 -0.11 -0.04 3.93 3.34 1zdyA1 SER 244 H -0.09 0.13 0.14 -0.55 8.46 8.09 1zdyA1 SER 244 HA -0.07 0.26 0.72 -0.75 4.49 4.65 1zdyA1 SER 244 HB2 -0.02 0.03 0.12 -0.04 3.95 4.04 1zdyA1 SER 244 HB3 -0.04 0.02 0.03 -0.04 3.93 3.89 1zdyA1 ASP 245 H -0.06 -0.01 -0.09 -0.55 8.40 7.70 1zdyA1 ASP 245 HA 0.01 0.13 0.57 -0.75 4.63 4.58 1zdyA1 ASP 245 HB2 0.04 0.09 0.13 -0.04 2.71 2.93 1zdyA1 ASP 245 HB3 0.02 -0.06 0.15 -0.04 2.70 2.78 1zdyA1 GLU 246 H 0.01 0.23 0.22 -0.55 8.60 8.51 1zdyA1 GLU 246 HA 0.01 0.13 0.33 -0.75 4.29 4.00 1zdyA1 GLU 246 HB2 0.01 0.07 0.17 -0.04 2.09 2.29 1zdyA1 GLU 246 HB3 0.02 -0.03 0.09 -0.04 1.99 2.03 1zdyA1 GLU 246 HG2 0.02 -0.01 -0.06 -0.04 2.34 2.25 1zdyA1 GLU 246 HG3 0.01 0.04 0.05 -0.04 2.34 2.40 1zdyA1 GLY 247 H 0.04 0.04 -0.22 -0.55 8.43 7.75 1zdyA1 GLY 247 HA2 0.06 0.14 0.42 -0.51 4.01 4.11 1zdyA1 GLY 247 HA3 0.07 0.06 0.27 -0.51 4.01 3.89 1zdyA1 ASP 248 H 0.07 0.04 -0.19 -0.55 8.40 7.78 1zdyA1 ASP 248 HA 0.31 0.07 0.38 -0.75 4.63 4.63 1zdyA1 ASP 248 HB2 -0.06 0.08 0.06 -0.04 2.71 2.75 1zdyA1 ASP 248 HB3 -0.16 0.04 -0.07 -0.04 2.70 2.46 1zdyA1 ILE 249 H 0.02 0.52 -0.20 -0.55 8.25 8.04 1zdyA1 ILE 249 HA 0.05 0.03 0.32 -0.75 4.18 3.82 1zdyA1 ILE 249 HB 0.02 0.03 0.06 -0.04 1.89 1.96 1zdyA1 ILE 249 HG12 -0.05 0.08 -0.02 -0.04 1.49 1.46 1zdyA1 ILE 249 HG13 -0.06 -0.05 -0.15 -0.04 1.21 0.91 1zdyA1 ILE 249 HG23 0.01 0.01 -0.14 -0.04 0.93 0.76 1zdyA1 ILE 249 HD13 -0.04 -0.01 -0.17 -0.04 0.88 0.63 1zdyA1 GLU 250 H 0.09 0.45 -0.22 -0.55 8.60 8.37 1zdyA1 GLU 250 HA 0.11 0.07 0.49 -0.75 4.29 4.20 1zdyA1 GLU 250 HB2 0.05 -0.01 0.10 -0.04 2.09 2.19 1zdyA1 GLU 250 HB3 0.08 0.06 0.18 -0.04 1.99 2.27 1zdyA1 GLU 250 HG2 0.09 0.02 -0.25 -0.04 2.34 2.16 1zdyA1 GLU 250 HG3 0.08 -0.02 0.01 -0.04 2.34 2.37 1zdyA1 LYS 251 H 0.16 0.57 0.01 -0.55 8.42 8.61 1zdyA1 LYS 251 HA 0.10 0.06 0.44 -0.75 4.32 4.16 1zdyA1 LYS 251 HB2 0.10 0.02 0.14 -0.04 1.87 2.09 1zdyA1 LYS 251 HB3 0.20 -0.04 0.13 -0.04 1.79 2.03 1zdyA1 LYS 251 HG2 -0.10 -0.01 -0.14 -0.04 1.46 1.17 1zdyA1 LYS 251 HG3 0.02 0.05 0.06 -0.04 1.46 1.54 1zdyA1 LYS 251 HD2 0.04 -0.03 0.00 -0.04 1.69 1.66 1zdyA1 LYS 251 HD3 0.04 -0.09 -0.02 -0.04 1.68 1.57 1zdyA1 LYS 251 HE2 -0.11 0.01 0.02 -0.04 2.99 2.87 1zdyA1 LYS 251 HE3 -0.03 0.08 0.04 -0.04 2.99 3.03 1zdyA1 PHE 252 H 0.48 0.74 -0.03 -0.55 8.34 8.98 1zdyA1 PHE 252 HA 0.14 0.04 0.45 -0.75 4.62 4.49 1zdyA1 PHE 252 HB2 0.14 0.15 0.05 -0.04 3.15 3.45 1zdyA1 PHE 252 HB3 0.22 -0.02 -0.09 -0.04 3.06 3.13 1zdyA1 PHE 252 HD2 0.12 0.10 -0.04 -0.04 7.28 7.42 1zdyA1 PHE 252 HE2 0.14 -0.07 -0.35 -0.04 7.38 7.05 1zdyA1 PHE 252 HZ 0.18 0.03 -0.38 -0.04 7.32 7.10 1zdyA1 HIS 253 H 0.34 0.38 -0.25 -0.55 8.41 8.34 1zdyA1 HIS 253 HA 0.18 0.22 0.51 -0.75 4.63 4.79 1zdyA1 HIS 253 HB2 0.12 0.02 0.17 -0.04 3.26 3.54 1zdyA1 HIS 253 HB3 0.11 0.08 0.18 -0.04 3.20 3.52 1zdyA1 HIS 253 HD2 0.08 -0.02 -0.22 -0.04 6.97 6.76 1zdyA1 HIS 253 HE1 0.04 -0.02 -0.06 -0.04 7.75 7.66 1zdyA1 ASN 254 H 0.20 0.47 -0.21 -0.55 8.53 8.44 1zdyA1 ASN 254 HA 0.05 0.01 0.39 -0.75 4.76 4.46 1zdyA1 ASN 254 HB2 0.12 0.06 0.13 -0.04 2.88 3.15 1zdyA1 ASN 254 HB3 0.10 0.11 0.17 -0.04 2.79 3.13 1zdyA1 ASN 254 HD21 0.05 -0.02 -0.05 -0.04 7.03 6.97 1zdyA1 ASN 254 HD22 0.08 0.07 -0.10 -0.04 7.74 7.75 1zdyA1 TYR 255 H 0.16 0.52 -0.11 -0.55 8.29 8.31 1zdyA1 TYR 255 HA -0.03 0.03 0.39 -0.75 4.56 4.20 1zdyA1 TYR 255 HB2 -0.10 0.06 0.11 -0.04 3.06 3.10 1zdyA1 TYR 255 HB3 -0.09 0.05 0.13 -0.04 2.98 3.03 1zdyA1 TYR 255 HD2 -0.05 0.01 -0.08 -0.04 7.15 6.99 1zdyA1 TYR 255 HE2 0.01 0.04 0.03 -0.04 6.85 6.89 1zdyA1 ALA 256 H 0.09 0.65 -0.14 -0.55 8.40 8.46 1zdyA1 ALA 256 HA -0.08 -0.02 0.34 -0.75 4.34 3.83 1zdyA1 ALA 256 HB3 0.05 -0.00 0.10 -0.04 1.41 1.52 1zdyA1 THR 257 H -0.16 0.37 -0.46 -0.55 8.28 7.49 1zdyA1 THR 257 HA -0.15 0.14 0.92 -0.75 4.39 4.54 1zdyA1 THR 257 HB -0.11 -0.09 0.15 -0.04 4.32 4.23 1zdyA1 THR 257 HG23 -0.38 -0.00 -0.02 -0.04 1.22 0.78 1zdyA1 LYS 258 H -0.15 0.26 -0.11 -0.55 8.42 7.87 1zdyA1 LYS 258 HA -0.04 0.16 0.96 -0.75 4.32 4.65 1zdyA1 LYS 258 HB2 -0.04 0.09 0.04 -0.04 1.87 1.91 1zdyA1 LYS 258 HB3 -0.02 -0.10 0.09 -0.04 1.79 1.72 1zdyA1 LYS 258 HG2 -0.01 -0.01 -0.06 -0.04 1.46 1.35 1zdyA1 LYS 258 HG3 -0.03 -0.00 -0.31 -0.04 1.46 1.08 1zdyA1 LYS 258 HD2 0.02 0.02 -0.04 -0.04 1.69 1.64 1zdyA1 LYS 258 HD3 0.01 -0.05 -0.02 -0.04 1.68 1.58 1zdyA1 LYS 258 HE2 0.02 -0.03 -0.02 -0.04 2.99 2.92 1zdyA1 LYS 258 HE3 0.03 0.01 -0.03 -0.04 2.99 2.96 1zdyA1 ALA 259 H -0.28 0.37 0.12 -0.55 8.40 8.06 1zdyA1 ALA 259 HA -0.22 -0.01 0.42 -0.75 4.34 3.78 1zdyA1 ALA 259 HB3 -0.55 -0.00 0.08 -0.04 1.41 0.90 1zdyA1 PRO 260 HA 0.19 0.08 0.48 -0.51 4.44 4.68 1zdyA1 PRO 260 HB2 0.25 -0.05 0.02 -0.04 2.28 2.47 1zdyA1 PRO 260 HB3 0.07 0.02 0.15 -0.04 2.02 2.22 1zdyA1 PRO 260 HG2 0.33 -0.03 0.05 -0.04 2.03 2.34 1zdyA1 PRO 260 HG3 -0.02 0.20 0.15 -0.04 2.03 2.33 1zdyA1 PRO 260 HD2 0.04 0.04 0.22 -0.04 3.68 3.94 1zdyA1 PRO 260 HD3 -0.01 0.12 0.13 -0.04 3.65 3.86 1zdyA1 TYR 261 H 0.18 0.25 0.18 -0.55 8.29 8.36 1zdyA1 TYR 261 HA -0.03 0.08 0.67 -0.75 4.56 4.52 1zdyA1 TYR 261 HB2 -0.81 -0.07 0.10 -0.04 3.06 2.23 1zdyA1 TYR 261 HB3 -0.15 0.25 -0.18 -0.04 2.98 2.86 1zdyA1 TYR 261 HD2 -0.73 0.02 -0.17 -0.04 7.15 6.23 1zdyA1 TYR 261 HE2 -0.15 0.09 -0.08 -0.04 6.85 6.67 1zdyA1 ALA 262 H -0.38 0.63 0.30 -0.55 8.40 8.41 1zdyA1 ALA 262 HA -0.24 0.15 0.81 -0.75 4.34 4.31 1zdyA1 ALA 262 HB3 -0.23 0.00 0.14 -0.04 1.41 1.27 1zdyA1 TYR 263 H -0.33 0.13 -0.09 -0.55 8.29 7.45 1zdyA1 TYR 263 HA -0.08 0.21 0.70 -0.75 4.56 4.63 1zdyA1 TYR 263 HB2 0.01 0.02 0.10 -0.04 3.06 3.15 1zdyA1 TYR 263 HB3 -0.04 -0.06 0.05 -0.04 2.98 2.89 1zdyA1 TYR 263 HD2 0.04 -0.02 -0.02 -0.04 7.15 7.11 1zdyA1 TYR 263 HE2 0.07 0.15 -0.35 -0.04 6.85 6.67 1zdyA1 VAL 264 H -0.29 0.29 -0.37 -0.55 8.24 7.33 1zdyA1 VAL 264 HA -0.12 0.06 0.36 -0.75 4.13 3.67 1zdyA1 VAL 264 HB -0.15 -0.00 0.09 -0.04 2.12 2.02 1zdyA1 VAL 264 HG13 -0.05 -0.00 -0.08 -0.04 0.97 0.79 1zdyA1 VAL 264 HG23 -0.52 0.02 0.01 -0.04 0.95 0.42 1zdyA1 GLY 265 H 0.09 0.18 0.21 -0.55 8.43 8.37 1zdyA1 GLY 265 HA2 0.04 -0.04 0.33 -0.51 4.01 3.83 1zdyA1 GLY 265 HA3 0.04 0.18 0.83 -0.51 4.01 4.55 1zdyA1 GLU 266 H 0.16 0.34 0.18 -0.55 8.60 8.74 1zdyA1 GLU 266 HA 0.08 0.11 0.76 -0.75 4.29 4.48 1zdyA1 GLU 266 HB2 0.34 0.11 -0.04 -0.04 2.09 2.46 1zdyA1 GLU 266 HB3 0.14 -0.00 0.06 -0.04 1.99 2.15 1zdyA1 GLU 266 HG2 0.06 0.02 -0.04 -0.04 2.34 2.34 1zdyA1 GLU 266 HG3 0.10 -0.01 -0.42 -0.04 2.34 1.97 1zdyA1 LYS 267 H 0.06 0.08 0.11 -0.55 8.42 8.12 1zdyA1 LYS 267 HA -0.03 0.08 0.54 -0.75 4.32 4.15 1zdyA1 LYS 267 HB2 0.02 -0.03 0.06 -0.04 1.87 1.87 1zdyA1 LYS 267 HB3 -0.01 0.14 0.12 -0.04 1.79 2.00 1zdyA1 LYS 267 HG2 0.01 0.02 0.02 -0.04 1.46 1.47 1zdyA1 LYS 267 HG3 0.02 -0.07 0.06 -0.04 1.46 1.42 1zdyA1 LYS 267 HD2 0.01 -0.03 0.02 -0.04 1.69 1.66 1zdyA1 LYS 267 HD3 0.01 0.08 0.02 -0.04 1.68 1.76 1zdyA1 LYS 267 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.95 1zdyA1 LYS 267 HE3 0.02 0.01 -0.00 -0.04 2.99 2.97 1zdyA1 ARG 268 H -0.23 0.13 0.16 -0.55 8.46 7.97 1zdyA1 ARG 268 HA -0.05 0.01 0.39 -0.75 4.34 3.94 1zdyA1 ARG 268 HB2 -0.18 0.03 0.09 -0.04 1.90 1.80 1zdyA1 ARG 268 HB3 -0.12 0.06 -0.05 -0.04 1.80 1.64 1zdyA1 ARG 268 HG2 -1.07 -0.01 -0.04 -0.04 1.67 0.51 1zdyA1 ARG 268 HG3 -0.86 -0.09 0.06 -0.04 1.67 0.74 1zdyA1 ARG 268 HD2 -0.27 0.20 0.05 -0.04 3.22 3.16 1zdyA1 ARG 268 HD3 -0.24 -0.05 -0.07 -0.04 3.22 2.82 1zdyA1 THR 269 H 0.30 0.12 0.18 -0.55 8.28 8.33 1zdyA1 THR 269 HA -0.04 0.15 0.67 -0.75 4.39 4.42 1zdyA1 THR 269 HB -0.15 -0.07 0.13 -0.04 4.32 4.19 1zdyA1 THR 269 HG23 -0.59 -0.02 -0.17 -0.04 1.22 0.40 1zdyA1 LEU 270 H -0.01 0.51 0.34 -0.55 8.37 8.66 1zdyA1 LEU 270 HA 0.11 0.28 1.06 -0.75 4.35 5.04 1zdyA1 LEU 270 HB2 0.11 -0.00 -0.01 -0.04 1.64 1.69 1zdyA1 LEU 270 HB3 -0.16 -0.06 -0.06 -0.04 1.64 1.32 1zdyA1 LEU 270 HG 0.02 0.08 -0.41 -0.04 1.64 1.30 1zdyA1 LEU 270 HD13 0.10 -0.01 -0.37 -0.04 0.93 0.61 1zdyA1 LEU 270 HD23 -0.02 0.04 -0.13 -0.04 0.89 0.74 1zdyA1 VAL 271 H 0.16 0.58 0.25 -0.55 8.24 8.69 1zdyA1 VAL 271 HA 0.26 0.34 1.06 -0.75 4.13 5.03 1zdyA1 VAL 271 HB 0.38 -0.07 0.08 -0.04 2.12 2.46 1zdyA1 VAL 271 HG13 0.41 -0.01 -0.27 -0.04 0.97 1.06 1zdyA1 VAL 271 HG23 0.18 -0.02 -0.22 -0.04 0.95 0.85 1zdyA1 TYR 272 H 0.55 0.68 0.27 -0.55 8.29 9.25 1zdyA1 TYR 272 HA 0.31 0.22 0.91 -0.75 4.56 5.24 1zdyA1 TYR 272 HB2 0.51 -0.00 0.06 -0.04 3.06 3.59 1zdyA1 TYR 272 HB3 0.37 0.01 0.01 -0.04 2.98 3.33 1zdyA1 TYR 272 HD2 0.19 0.07 -0.12 -0.04 7.15 7.25 1zdyA1 TYR 272 HE2 0.17 0.03 -0.17 -0.04 6.85 6.84 1zdyA1 GLY 273 H 0.34 0.56 0.37 -0.55 8.43 9.15 1zdyA1 GLY 273 HA2 0.35 0.40 1.04 -0.51 4.01 5.30 1zdyA1 GLY 273 HA3 0.20 -0.05 0.22 -0.51 4.01 3.87 1zdyA1 LEU 274 H 0.18 0.65 0.31 -0.55 8.37 8.96 1zdyA1 LEU 274 HA -0.15 0.16 0.98 -0.75 4.35 4.60 1zdyA1 LEU 274 HB2 -0.63 0.01 0.03 -0.04 1.64 1.01 1zdyA1 LEU 274 HB3 0.10 0.01 0.22 -0.04 1.64 1.94 1zdyA1 LEU 274 HG -0.05 0.01 -0.23 -0.04 1.64 1.33 1zdyA1 LEU 274 HD13 -0.05 0.01 0.00 -0.04 0.93 0.85 1zdyA1 LEU 274 HD23 -0.11 -0.01 0.01 -0.04 0.89 0.73 1zdyA1 THR 275 H -0.47 0.67 0.29 -0.55 8.28 8.22 1zdyA1 THR 275 HA -0.26 0.31 1.14 -0.75 4.39 4.82 1zdyA1 THR 275 HB -1.60 -0.09 0.02 -0.04 4.32 2.61 1zdyA1 THR 275 HG23 -0.31 0.00 -0.29 -0.04 1.22 0.58 1zdyA1 LEU 276 H -0.12 0.84 0.41 -0.55 8.37 8.96 1zdyA1 LEU 276 HA -0.07 0.15 1.11 -0.75 4.35 4.79 1zdyA1 LEU 276 HB2 0.03 -0.04 0.21 -0.04 1.64 1.80 1zdyA1 LEU 276 HB3 0.06 0.11 0.06 -0.04 1.64 1.84 1zdyA1 LEU 276 HG 0.08 -0.00 -0.12 -0.04 1.64 1.55 1zdyA1 LEU 276 HD13 0.10 0.05 -0.04 -0.04 0.93 1.00 1zdyA1 LEU 276 HD23 0.05 0.02 -0.18 -0.04 0.89 0.74 1zdyA1 SER 277 H -0.01 0.73 0.42 -0.55 8.46 9.06 1zdyA1 SER 277 HA 0.00 0.29 1.00 -0.75 4.49 5.03 1zdyA1 SER 277 HB2 0.04 0.13 0.21 -0.04 3.95 4.29 1zdyA1 SER 277 HB3 0.07 -0.05 -0.03 -0.04 3.93 3.87 1zdyA1 PRO 278 HA 0.03 0.27 0.66 -0.51 4.44 4.89 1zdyA1 PRO 278 HB2 0.02 -0.11 0.12 -0.04 2.28 2.26 1zdyA1 PRO 278 HB3 0.01 0.14 0.19 -0.04 2.02 2.32 1zdyA1 PRO 278 HG2 0.01 -0.02 0.14 -0.04 2.03 2.12 1zdyA1 PRO 278 HG3 0.00 0.22 0.10 -0.04 2.03 2.31 1zdyA1 PRO 278 HD2 0.02 -0.04 0.29 -0.04 3.68 3.91 1zdyA1 PRO 278 HD3 0.01 0.42 0.38 -0.04 3.65 4.42 1zdyA1 LYS 279 H 0.03 0.04 -0.13 -0.55 8.42 7.81 1zdyA1 LYS 279 HA 0.05 0.27 0.90 -0.75 4.32 4.79 1zdyA1 LYS 279 HB2 0.02 -0.03 0.00 -0.04 1.87 1.82 1zdyA1 LYS 279 HB3 0.02 -0.01 0.11 -0.04 1.79 1.87 1zdyA1 LYS 279 HG2 0.02 -0.02 -0.04 -0.04 1.46 1.39 1zdyA1 LYS 279 HG3 0.01 -0.01 -0.00 -0.04 1.46 1.42 1zdyA1 LYS 279 HD2 0.02 -0.03 -0.00 -0.04 1.69 1.63 1zdyA1 LYS 279 HD3 0.02 0.15 -0.27 -0.04 1.68 1.54 1zdyA1 LYS 279 HE2 0.01 0.02 -0.05 -0.04 2.99 2.93 1zdyA1 LYS 279 HE3 0.01 -0.04 -0.02 -0.04 2.99 2.90 1zdyA1 GLU 280 H 0.03 0.19 -0.10 -0.55 8.60 8.17 1zdyA1 GLU 280 HA -0.15 0.11 0.40 -0.75 4.29 3.89 1zdyA1 GLU 280 HB2 -0.09 -0.06 0.16 -0.04 2.09 2.06 1zdyA1 GLU 280 HB3 -0.03 0.23 -0.00 -0.04 1.99 2.14 1zdyA1 GLU 280 HG2 0.03 -0.10 -0.31 -0.04 2.34 1.92 1zdyA1 GLU 280 HG3 0.07 -0.00 -0.32 -0.04 2.34 2.04 1zdyA1 GLU 281 H -0.36 0.22 0.22 -0.55 8.60 8.14 1zdyA1 GLU 281 HA -0.24 0.45 1.05 -0.75 4.29 4.78 1zdyA1 GLU 281 HB2 -0.26 0.09 0.01 -0.04 2.09 1.88 1zdyA1 GLU 281 HB3 -0.74 -0.08 0.06 -0.04 1.99 1.19 1zdyA1 GLU 281 HG2 -0.43 -0.10 -0.32 -0.04 2.34 1.45 1zdyA1 GLU 281 HG3 -0.26 0.09 -0.06 -0.04 2.34 2.07 1zdyA1 TYR 282 H -0.50 0.59 0.36 -0.55 8.29 8.19 1zdyA1 TYR 282 HA -0.83 0.08 0.65 -0.75 4.56 3.70 1zdyA1 TYR 282 HB2 -0.15 -0.09 0.05 -0.04 3.06 2.83 1zdyA1 TYR 282 HB3 -0.15 0.03 -0.19 -0.04 2.98 2.63 1zdyA1 TYR 282 HD2 -0.14 0.03 -0.26 -0.04 7.15 6.74 1zdyA1 TYR 282 HE2 -0.22 0.03 -0.21 -0.04 6.85 6.41 1zdyA1 TYR 283 H -0.09 0.05 0.18 -0.55 8.29 7.88 1zdyA1 TYR 283 HA -0.10 0.42 1.12 -0.75 4.56 5.25 1zdyA1 TYR 283 HB2 -0.22 -0.07 -0.02 -0.04 3.06 2.71 1zdyA1 TYR 283 HB3 -0.27 0.13 0.08 -0.04 2.98 2.87 1zdyA1 TYR 283 HD2 -0.18 0.05 -0.05 -0.04 7.15 6.92 1zdyA1 TYR 283 HE2 -0.12 0.00 -0.05 -0.04 6.85 6.64 1zdyA1 LYS 284 H 0.23 0.57 0.41 -0.55 8.42 9.09 1zdyA1 LYS 284 HA 0.35 0.26 1.02 -0.75 4.32 5.19 1zdyA1 LYS 284 HB2 0.19 -0.08 -0.02 -0.04 1.87 1.93 1zdyA1 LYS 284 HB3 0.19 0.07 -0.01 -0.04 1.79 2.01 1zdyA1 LYS 284 HG2 0.27 0.07 -0.18 -0.04 1.46 1.58 1zdyA1 LYS 284 HG3 0.08 -0.09 -0.45 -0.04 1.46 0.96 1zdyA1 LYS 284 HD2 0.17 0.04 -0.19 -0.04 1.69 1.67 1zdyA1 LYS 284 HD3 0.21 -0.02 -0.22 -0.04 1.68 1.61 1zdyA1 LYS 284 HE2 0.02 -0.04 -0.25 -0.04 2.99 2.68 1zdyA1 LYS 284 HE3 0.19 0.02 -0.21 -0.04 2.99 2.95 1zdyA1 LEU 285 H 0.16 0.64 0.23 -0.55 8.37 8.85 1zdyA1 LEU 285 HA 0.13 0.23 0.82 -0.75 4.35 4.77 1zdyA1 LEU 285 HB2 0.42 -0.00 -0.14 -0.04 1.64 1.87 1zdyA1 LEU 285 HB3 0.02 -0.05 0.02 -0.04 1.64 1.59 1zdyA1 LEU 285 HG 0.18 -0.01 -0.39 -0.04 1.64 1.39 1zdyA1 LEU 285 HD13 -0.53 0.01 -0.17 -0.04 0.93 0.20 1zdyA1 LEU 285 HD23 0.19 -0.02 -0.08 -0.04 0.89 0.95 1zdyA1 GLY 286 H 0.14 0.76 0.25 -0.55 8.43 9.03 1zdyA1 GLY 286 HA2 0.16 0.21 0.89 -0.51 4.01 4.75 1zdyA1 GLY 286 HA3 0.13 -0.04 0.23 -0.51 4.01 3.82 1zdyA1 ALA 287 H 0.27 0.69 0.28 -0.55 8.40 9.09 1zdyA1 ALA 287 HA 0.17 0.20 0.93 -0.75 4.34 4.88 1zdyA1 ALA 287 HB3 0.00 0.03 0.06 -0.04 1.41 1.46 1zdyA1 TYR 288 H 0.45 0.62 0.25 -0.55 8.29 9.06 1zdyA1 TYR 288 HA 0.02 0.04 0.74 -0.75 4.56 4.61 1zdyA1 TYR 288 HB2 0.10 0.02 0.17 -0.04 3.06 3.30 1zdyA1 TYR 288 HB3 0.03 0.01 -0.09 -0.04 2.98 2.89 1zdyA1 TYR 288 HD2 -0.01 0.13 -0.06 -0.04 7.15 7.18 1zdyA1 TYR 288 HE2 0.00 -0.03 -0.15 -0.04 6.85 6.64 1zdyA1 TYR 289 H -0.01 0.55 0.45 -0.55 8.29 8.73 1zdyA1 TYR 289 HA 0.18 0.25 0.76 -0.75 4.56 5.00 1zdyA1 TYR 289 HB2 -0.25 0.09 0.01 -0.04 3.06 2.87 1zdyA1 TYR 289 HB3 -0.43 -0.06 0.05 -0.04 2.98 2.50 1zdyA1 TYR 289 HD2 -0.22 0.10 -0.36 -0.04 7.15 6.62 1zdyA1 TYR 289 HE2 -0.01 0.02 -0.15 -0.04 6.85 6.67 1zdyA1 HIS 290 H 0.13 0.35 0.31 -0.55 8.41 8.65 1zdyA1 HIS 290 HA -0.01 0.11 0.88 -0.75 4.63 4.86 1zdyA1 HIS 290 HB2 0.00 -0.19 -0.00 -0.04 3.26 3.03 1zdyA1 HIS 290 HB3 -0.03 0.33 -0.13 -0.04 3.20 3.33 1zdyA1 HIS 290 HD2 -0.48 0.17 -0.10 -0.04 6.97 6.51 1zdyA1 HIS 290 HE1 0.10 0.36 -0.19 -0.04 7.75 7.98 1zdyA1 ILE 291 H -0.19 0.20 0.20 -0.55 8.25 7.91 1zdyA1 ILE 291 HA -0.00 0.17 0.98 -0.75 4.18 4.56 1zdyA1 ILE 291 HB -0.28 -0.07 0.12 -0.04 1.89 1.63 1zdyA1 ILE 291 HG12 -1.20 -0.02 -0.01 -0.04 1.49 0.22 1zdyA1 ILE 291 HG13 -0.38 -0.03 -0.24 -0.04 1.21 0.52 1zdyA1 ILE 291 HG23 -0.35 0.02 -0.18 -0.04 0.93 0.38 1zdyA1 ILE 291 HD13 -0.50 0.02 -0.08 -0.04 0.88 0.28 1zdyA1 THR 292 H -0.10 0.08 0.18 -0.55 8.28 7.89 1zdyA1 THR 292 HA -0.10 0.24 0.85 -0.75 4.39 4.62 1zdyA1 THR 292 HB -0.07 -0.03 0.17 -0.04 4.32 4.35 1zdyA1 THR 292 HG23 -0.07 0.04 -0.41 -0.04 1.22 0.74 1zdyA1 ASP 293 H -0.07 0.24 0.16 -0.55 8.40 8.18 1zdyA1 ASP 293 HA -0.07 0.12 0.46 -0.75 4.63 4.38 1zdyA1 ASP 293 HB2 -0.05 0.02 0.11 -0.04 2.71 2.75 1zdyA1 ASP 293 HB3 -0.04 0.06 0.07 -0.04 2.70 2.75 1zdyA1 VAL 294 H -0.06 0.05 -0.34 -0.55 8.24 7.34 1zdyA1 VAL 294 HA -0.03 0.13 0.40 -0.75 4.13 3.88 1zdyA1 VAL 294 HB -0.04 -0.07 0.01 -0.04 2.12 1.98 1zdyA1 VAL 294 HG13 0.01 0.03 -0.14 -0.04 0.97 0.83 1zdyA1 VAL 294 HG23 -0.04 0.01 0.00 -0.04 0.95 0.88 1zdyA1 GLN 295 H -0.10 0.09 -0.17 -0.55 8.47 7.75 1zdyA1 GLN 295 HA -0.18 0.10 0.41 -0.75 4.36 3.95 1zdyA1 GLN 295 HB2 -0.20 0.04 0.15 -0.04 2.15 2.10 1zdyA1 GLN 295 HB3 -0.31 0.07 -0.02 -0.04 2.02 1.72 1zdyA1 GLN 295 HG2 -0.46 0.08 0.02 -0.04 2.40 1.99 1zdyA1 GLN 295 HG3 -0.33 0.06 -0.04 -0.04 2.39 2.05 1zdyA1 GLN 295 HE21 0.04 0.01 -0.09 -0.04 6.97 6.89 1zdyA1 GLN 295 HE22 0.07 0.09 -0.11 -0.04 7.69 7.70 1zdyA1 ARG 296 H -0.11 0.23 -0.18 -0.55 8.46 7.85 1zdyA1 ARG 296 HA -0.09 0.08 0.39 -0.75 4.34 3.96 1zdyA1 ARG 296 HB2 -0.06 0.04 0.13 -0.04 1.90 1.97 1zdyA1 ARG 296 HB3 -0.05 0.03 0.02 -0.04 1.80 1.76 1zdyA1 ARG 296 HG2 -0.10 0.03 -0.03 -0.04 1.67 1.53 1zdyA1 ARG 296 HG3 -0.11 0.08 -0.04 -0.04 1.67 1.55 1zdyA1 ARG 296 HD2 -0.06 -0.05 -0.05 -0.04 3.22 3.01 1zdyA1 ARG 296 HD3 -0.05 0.04 -0.03 -0.04 3.22 3.14 1zdyA1 GLY 297 H -0.05 0.54 -0.22 -0.55 8.43 8.15 1zdyA1 GLY 297 HA2 -0.03 0.04 0.44 -0.51 4.01 3.95 1zdyA1 GLY 297 HA3 -0.02 0.06 0.31 -0.51 4.01 3.85 1zdyA1 LEU 298 H -0.05 0.40 -0.16 -0.55 8.37 8.01 1zdyA1 LEU 298 HA 0.14 0.05 0.46 -0.75 4.35 4.25 1zdyA1 LEU 298 HB2 -0.18 0.06 0.17 -0.04 1.64 1.65 1zdyA1 LEU 298 HB3 -0.29 -0.01 -0.00 -0.04 1.64 1.29 1zdyA1 LEU 298 HG -0.03 0.17 0.07 -0.04 1.64 1.80 1zdyA1 LEU 298 HD13 -0.22 -0.04 -0.10 -0.04 0.93 0.53 1zdyA1 LEU 298 HD23 0.06 -0.00 0.01 -0.04 0.89 0.91 1zdyA1 LEU 299 H -0.07 0.52 -0.19 -0.55 8.37 8.08 1zdyA1 LEU 299 HA -0.02 0.05 0.37 -0.75 4.35 3.99 1zdyA1 LEU 299 HB2 -0.06 0.12 0.12 -0.04 1.64 1.79 1zdyA1 LEU 299 HB3 -0.03 -0.01 -0.03 -0.04 1.64 1.53 1zdyA1 LEU 299 HG -0.14 0.06 -0.02 -0.04 1.64 1.49 1zdyA1 LEU 299 HD13 -0.08 -0.02 -0.11 -0.04 0.93 0.67 1zdyA1 LEU 299 HD23 -0.05 0.01 -0.18 -0.04 0.89 0.62 1zdyA1 LYS 300 H -0.03 0.37 -0.22 -0.55 8.42 7.99 1zdyA1 LYS 300 HA -0.03 0.04 0.45 -0.75 4.32 4.03 1zdyA1 LYS 300 HB2 -0.03 0.10 0.16 -0.04 1.87 2.06 1zdyA1 LYS 300 HB3 -0.04 -0.04 0.04 -0.04 1.79 1.71 1zdyA1 LYS 300 HG2 -0.02 -0.04 0.04 -0.04 1.46 1.40 1zdyA1 LYS 300 HG3 -0.03 0.21 0.10 -0.04 1.46 1.70 1zdyA1 LYS 300 HD2 -0.03 -0.03 -0.01 -0.04 1.69 1.58 1zdyA1 LYS 300 HD3 -0.03 -0.02 0.01 -0.04 1.68 1.60 1zdyA1 LYS 300 HE2 -0.02 -0.00 -0.00 -0.04 2.99 2.92 1zdyA1 LYS 300 HE3 -0.03 -0.01 -0.03 -0.04 2.99 2.88 1zdyA1 ALA 301 H -0.03 0.33 -0.25 -0.55 8.40 7.91 1zdyA1 ALA 301 HA -0.19 0.09 0.68 -0.75 4.34 4.17 1zdyA1 ALA 301 HB3 -0.26 -0.02 0.11 -0.04 1.41 1.20 1zdyA1 PHE 302 H 0.09 0.53 0.04 -0.55 8.34 8.44 1zdyA1 PHE 302 HA -0.00 0.24 1.10 -0.75 4.62 5.21 1zdyA1 PHE 302 HB2 -0.09 0.01 0.10 -0.04 3.15 3.13 1zdyA1 PHE 302 HB3 0.01 0.06 0.17 -0.04 3.06 3.26 1zdyA1 PHE 302 HD2 0.00 0.13 0.07 -0.04 7.28 7.43 1zdyA1 PHE 302 HE2 0.08 -0.01 0.05 -0.04 7.38 7.46 1zdyA1 PHE 302 HZ 0.11 -0.09 0.07 -0.04 7.32 7.38 1zdyA1 ASP 303 H 0.03 0.51 -0.01 -0.55 8.40 8.38 1zdyA1 ASP 303 HA 0.04 0.22 0.84 -0.75 4.63 4.97 1zdyA1 ASP 303 HB2 0.03 0.13 0.01 -0.04 2.71 2.83 1zdyA1 ASP 303 HB3 0.01 0.05 0.17 -0.04 2.70 2.88