============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 47 rings ring int. center anis. iso. PHE 16 1.000 41.933 107.021 82.210 -99.200 -91.000 PHE 28 1.000 45.941 103.407 92.251 -99.200 -91.000 TRP 41 1.040 47.632 94.766 97.369 -99.200 -91.000 TRP6 41 1.020 45.356 94.160 97.176 -99.200 -91.000 PHE 42 1.000 51.296 93.789 95.405 -99.200 -91.000 PHE 43 1.000 50.198 97.340 89.985 -99.200 -91.000 TYR 47 0.840 53.952 114.299 89.524 -99.200 -91.000 TYR 53 0.840 64.627 117.605 89.912 -99.200 -91.000 TRP 56 1.040 56.857 106.618 93.095 -99.200 -91.000 TRP6 56 1.020 55.810 104.984 91.743 -99.200 -91.000 PHE 76 1.000 49.449 112.058 85.812 -99.200 -91.000 PHE 78 1.000 48.573 101.106 87.353 -99.200 -91.000 PHE 82 1.000 54.854 100.743 98.151 -99.200 -91.000 PHE 83 1.000 58.999 95.632 92.641 -99.200 -91.000 PHE 100 1.000 53.951 93.477 90.711 -99.200 -91.000 PHE 101 1.000 56.860 88.350 81.414 -99.200 -91.000 TYR 114 0.840 74.861 90.081 88.435 -99.200 -91.000 TYR 126 0.840 60.471 79.496 83.041 -99.200 -91.000 TYR 132 0.840 58.205 83.911 69.635 -99.200 -91.000 TYR 135 0.840 60.923 74.223 69.127 -99.200 -91.000 HIS 140 0.900 57.271 78.477 67.826 -99.200 -91.000 TYR 144 0.840 62.173 80.136 68.039 -99.200 -91.000 HIS 159 0.900 79.295 84.223 79.902 -99.200 -91.000 TRP 166 1.040 74.317 84.986 73.942 -99.200 -91.000 TRP6 166 1.020 74.714 84.160 76.123 -99.200 -91.000 TRP 173 1.040 67.171 76.509 79.987 -99.200 -91.000 TRP6 173 1.020 66.524 75.050 81.735 -99.200 -91.000 HIS 174 0.900 59.877 78.190 73.009 -99.200 -91.000 HIS 177 0.900 60.556 76.419 80.077 -99.200 -91.000 TYR 189 0.840 61.194 87.159 83.418 -99.200 -91.000 TYR 199 0.840 61.544 90.943 92.407 -99.200 -91.000 TYR 203 0.840 70.001 98.658 95.343 -99.200 -91.000 PHE 204 1.000 65.826 105.764 97.831 -99.200 -91.000 TRP 215 1.040 75.018 102.383 96.213 -99.200 -91.000 TRP6 215 1.020 73.880 103.750 94.654 -99.200 -91.000 TYR 226 0.840 72.180 96.830 99.608 -99.200 -91.000 HIS 228 0.900 79.172 104.735 95.845 -99.200 -91.000 PHE 238 1.000 70.048 99.155 110.213 -99.200 -91.000 TRP 240 1.040 59.551 96.045 107.318 -99.200 -91.000 TRP6 240 1.020 60.234 98.251 106.798 -99.200 -91.000 PHE 248 1.000 62.187 113.050 106.480 -99.200 -91.000 PHE 253 1.000 65.878 107.570 106.794 -99.200 -91.000 PHE 265 1.000 73.327 100.928 113.440 -99.200 -91.000 PHE 267 1.000 72.915 104.581 108.017 -99.200 -91.000 TYR 268 0.840 74.770 112.742 108.478 -99.200 -91.000 HIS 286 0.900 56.378 98.271 109.471 -99.200 -91.000 TYR 289 0.840 57.038 92.486 107.548 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zpyA1 LYS 3 HA 0.01 -0.03 0.22 -0.75 4.32 3.77 2zpyA1 LYS 3 HB2 0.01 -0.04 0.06 -0.04 1.87 1.86 2zpyA1 LYS 3 HB3 0.01 -0.06 0.11 -0.04 1.79 1.81 2zpyA1 LYS 3 HG2 0.01 -0.06 -0.01 -0.04 1.46 1.36 2zpyA1 LYS 3 HG3 0.01 0.15 -0.20 -0.04 1.46 1.38 2zpyA1 LYS 3 HD2 0.01 0.04 0.01 -0.04 1.69 1.71 2zpyA1 LYS 3 HD3 0.01 -0.06 0.01 -0.04 1.68 1.60 2zpyA1 LYS 3 HE2 0.01 -0.05 -0.01 -0.04 2.99 2.90 2zpyA1 LYS 3 HE3 0.01 0.13 -0.02 -0.04 2.99 3.07 2zpyA1 PRO 4 HA 0.02 0.13 0.38 -0.51 4.44 4.47 2zpyA1 PRO 4 HB2 0.03 -0.03 -0.11 -0.04 2.28 2.12 2zpyA1 PRO 4 HB3 0.02 -0.01 -0.02 -0.04 2.02 1.97 2zpyA1 PRO 4 HG2 0.02 0.01 0.00 -0.04 2.03 2.02 2zpyA1 PRO 4 HG3 0.01 0.01 0.01 -0.04 2.03 2.03 2zpyA1 PRO 4 HD2 0.01 0.07 0.16 -0.04 3.68 3.88 2zpyA1 PRO 4 HD3 0.01 0.10 0.12 -0.04 3.65 3.84 2zpyA1 ILE 5 H 0.04 0.75 0.33 -0.55 8.25 8.81 2zpyA1 ILE 5 HA 0.03 0.14 0.91 -0.75 4.18 4.51 2zpyA1 ILE 5 HB 0.05 -0.12 0.10 -0.04 1.89 1.87 2zpyA1 ILE 5 HG12 0.03 0.05 -0.13 -0.04 1.49 1.40 2zpyA1 ILE 5 HG13 0.03 0.09 -0.25 -0.04 1.21 1.04 2zpyA1 ILE 5 HG23 0.05 0.00 -0.08 -0.04 0.93 0.87 2zpyA1 ILE 5 HD13 0.03 -0.00 -0.16 -0.04 0.88 0.71 2zpyA1 ASN 6 H 0.04 0.18 0.15 -0.55 8.53 8.35 2zpyA1 ASN 6 HA 0.07 0.19 0.83 -0.75 4.76 5.10 2zpyA1 ASN 6 HB2 0.03 -0.07 0.17 -0.04 2.88 2.98 2zpyA1 ASN 6 HB3 0.04 0.08 0.06 -0.04 2.79 2.92 2zpyA1 ASN 6 HD21 0.02 0.03 -0.04 -0.04 7.03 7.00 2zpyA1 ASN 6 HD22 0.02 -0.02 0.04 -0.04 7.74 7.74 2zpyA1 VAL 7 H 0.13 0.84 0.46 -0.55 8.24 9.11 2zpyA1 VAL 7 HA 0.16 0.16 1.03 -0.75 4.13 4.72 2zpyA1 VAL 7 HB 0.42 0.05 -0.08 -0.04 2.12 2.46 2zpyA1 VAL 7 HG13 0.20 0.00 -0.30 -0.04 0.97 0.84 2zpyA1 VAL 7 HG23 0.21 -0.02 -0.21 -0.04 0.95 0.89 2zpyA1 ARG 8 H 0.19 0.89 0.33 -0.55 8.46 9.32 2zpyA1 ARG 8 HA 0.14 0.29 1.17 -0.75 4.34 5.18 2zpyA1 ARG 8 HB2 0.05 -0.02 -0.04 -0.04 1.90 1.85 2zpyA1 ARG 8 HB3 0.07 0.01 0.11 -0.04 1.80 1.95 2zpyA1 ARG 8 HG2 0.06 -0.05 -0.20 -0.04 1.67 1.43 2zpyA1 ARG 8 HG3 0.05 0.13 0.01 -0.04 1.67 1.82 2zpyA1 ARG 8 HD2 0.01 -0.03 -0.10 -0.04 3.22 3.06 2zpyA1 ARG 8 HD3 0.01 -0.00 -0.07 -0.04 3.22 3.12 2zpyA1 VAL 9 H 0.19 0.74 0.34 -0.55 8.24 8.96 2zpyA1 VAL 9 HA 0.25 0.31 1.07 -0.75 4.13 5.01 2zpyA1 VAL 9 HB 0.31 -0.05 0.04 -0.04 2.12 2.37 2zpyA1 VAL 9 HG13 0.14 -0.02 -0.29 -0.04 0.97 0.76 2zpyA1 VAL 9 HG23 0.14 -0.01 -0.28 -0.04 0.95 0.76 2zpyA1 THR 10 H 0.15 0.64 0.41 -0.55 8.28 8.93 2zpyA1 THR 10 HA 0.06 0.25 1.34 -0.75 4.39 5.30 2zpyA1 THR 10 HB 0.04 0.16 0.10 -0.04 4.32 4.59 2zpyA1 THR 10 HG23 0.04 -0.03 -0.08 -0.04 1.22 1.11 2zpyA1 THR 11 H 0.05 0.41 0.30 -0.55 8.28 8.50 2zpyA1 THR 11 HA 0.22 0.29 0.80 -0.75 4.39 4.94 2zpyA1 THR 11 HB 0.12 -0.03 0.18 -0.04 4.32 4.54 2zpyA1 THR 11 HG23 -0.09 0.02 -0.08 -0.04 1.22 1.04 2zpyA1 MET 12 H 0.10 0.12 0.18 -0.55 8.47 8.32 2zpyA1 MET 12 HA 0.03 0.15 0.39 -0.75 4.52 4.34 2zpyA1 MET 12 HB2 0.06 -0.07 0.14 -0.04 2.15 2.23 2zpyA1 MET 12 HB3 0.02 0.04 0.01 -0.04 2.03 2.06 2zpyA1 MET 12 HG2 0.05 -0.03 0.13 -0.04 2.63 2.75 2zpyA1 MET 12 HG3 0.01 -0.01 0.01 -0.04 2.56 2.54 2zpyA1 MET 12 HE3 -0.02 0.04 -0.09 -0.04 2.10 1.98 2zpyA1 ASP 13 H 0.03 -0.08 -0.24 -0.55 8.40 7.56 2zpyA1 ASP 13 HA 0.01 0.30 0.86 -0.75 4.63 5.05 2zpyA1 ASP 13 HB2 0.01 0.03 0.15 -0.04 2.71 2.86 2zpyA1 ASP 13 HB3 0.02 0.04 -0.16 -0.04 2.70 2.56 2zpyA1 ALA 14 H 0.02 0.11 -0.05 -0.55 8.40 7.93 2zpyA1 ALA 14 HA -0.01 0.24 0.82 -0.75 4.34 4.64 2zpyA1 ALA 14 HB3 -0.03 0.01 -0.06 -0.04 1.41 1.28 2zpyA1 GLU 15 H -0.02 0.25 0.14 -0.55 8.60 8.42 2zpyA1 GLU 15 HA 0.01 0.20 0.99 -0.75 4.29 4.74 2zpyA1 GLU 15 HB2 -0.00 0.02 -0.05 -0.04 2.09 2.01 2zpyA1 GLU 15 HB3 -0.02 -0.02 0.14 -0.04 1.99 2.05 2zpyA1 GLU 15 HG2 -0.01 0.01 -0.26 -0.04 2.34 2.03 2zpyA1 GLU 15 HG3 0.01 0.02 -0.05 -0.04 2.34 2.28 2zpyA1 LEU 16 H 0.03 0.98 0.38 -0.55 8.37 9.21 2zpyA1 LEU 16 HA -0.18 0.16 1.01 -0.75 4.35 4.60 2zpyA1 LEU 16 HB2 0.27 -0.04 0.11 -0.04 1.64 1.94 2zpyA1 LEU 16 HB3 -0.27 0.02 -0.00 -0.04 1.64 1.34 2zpyA1 LEU 16 HG 0.00 -0.01 -0.18 -0.04 1.64 1.42 2zpyA1 LEU 16 HD13 0.08 -0.01 -0.07 -0.04 0.93 0.89 2zpyA1 LEU 16 HD23 -0.08 0.04 -0.19 -0.04 0.89 0.61 2zpyA1 GLU 17 H -0.44 0.20 0.19 -0.55 8.60 8.01 2zpyA1 GLU 17 HA -0.09 0.27 1.12 -0.75 4.29 4.83 2zpyA1 GLU 17 HB2 -0.20 -0.03 0.18 -0.04 2.09 2.00 2zpyA1 GLU 17 HB3 -0.10 0.03 0.02 -0.04 1.99 1.90 2zpyA1 GLU 17 HG2 -0.10 -0.03 -0.20 -0.04 2.34 1.97 2zpyA1 GLU 17 HG3 -0.07 -0.00 -0.03 -0.04 2.34 2.20 2zpyA1 PHE 18 H 0.13 0.74 0.37 -0.55 8.34 9.03 2zpyA1 PHE 18 HA -0.01 0.21 0.98 -0.75 4.62 5.05 2zpyA1 PHE 18 HB2 -0.00 -0.02 -0.09 -0.04 3.15 2.99 2zpyA1 PHE 18 HB3 -0.02 -0.02 0.02 -0.04 3.06 3.01 2zpyA1 PHE 18 HD2 -0.02 0.03 -0.17 -0.04 7.28 7.08 2zpyA1 PHE 18 HE2 -0.07 0.02 -0.14 -0.04 7.38 7.15 2zpyA1 PHE 18 HZ -0.12 0.02 -0.11 -0.04 7.32 7.07 2zpyA1 ALA 19 H 0.17 0.28 0.15 -0.55 8.40 8.45 2zpyA1 ALA 19 HA 0.08 0.25 0.81 -0.75 4.34 4.73 2zpyA1 ALA 19 HB3 0.04 0.00 -0.04 -0.04 1.41 1.37 2zpyA1 ILE 20 H 0.06 0.86 0.34 -0.55 8.25 8.96 2zpyA1 ILE 20 HA 0.03 0.19 1.06 -0.75 4.18 4.71 2zpyA1 ILE 20 HB 0.00 -0.07 0.11 -0.04 1.89 1.89 2zpyA1 ILE 20 HG12 0.06 0.15 0.05 -0.04 1.49 1.70 2zpyA1 ILE 20 HG13 0.03 0.05 -0.13 -0.04 1.21 1.12 2zpyA1 ILE 20 HG23 -0.01 -0.01 -0.17 -0.04 0.93 0.70 2zpyA1 ILE 20 HD13 0.02 -0.02 -0.09 -0.04 0.88 0.74 2zpyA1 GLN 21 H 0.01 0.05 0.15 -0.55 8.47 8.14 2zpyA1 GLN 21 HA 0.02 0.25 0.51 -0.75 4.36 4.39 2zpyA1 GLN 21 HB2 0.01 -0.11 0.04 -0.04 2.15 2.05 2zpyA1 GLN 21 HB3 0.01 0.05 0.10 -0.04 2.02 2.14 2zpyA1 GLN 21 HG2 0.01 0.02 0.00 -0.04 2.40 2.39 2zpyA1 GLN 21 HG3 0.01 0.10 -0.04 -0.04 2.39 2.42 2zpyA1 GLN 21 HE21 0.02 0.03 0.01 -0.04 6.97 6.99 2zpyA1 GLN 21 HE22 0.01 0.04 -0.03 -0.04 7.69 7.67 2zpyA1 PRO 22 HA 0.02 0.11 0.47 -0.51 4.44 4.52 2zpyA1 PRO 22 HB2 0.01 -0.03 0.05 -0.04 2.28 2.26 2zpyA1 PRO 22 HB3 0.01 0.03 0.09 -0.04 2.02 2.12 2zpyA1 PRO 22 HG2 0.01 0.06 0.08 -0.04 2.03 2.15 2zpyA1 PRO 22 HG3 0.01 0.25 0.10 -0.04 2.03 2.35 2zpyA1 PRO 22 HD2 0.01 0.02 0.17 -0.04 3.68 3.84 2zpyA1 PRO 22 HD3 0.01 0.23 0.11 -0.04 3.65 3.97 2zpyA1 ASN 23 H 0.01 0.12 -0.21 -0.55 8.53 7.90 2zpyA1 ASN 23 HA 0.01 0.20 0.80 -0.75 4.76 5.02 2zpyA1 ASN 23 HB2 0.01 -0.00 0.15 -0.04 2.88 2.99 2zpyA1 ASN 23 HB3 0.01 0.04 0.02 -0.04 2.79 2.81 2zpyA1 ASN 23 HD21 0.01 0.03 -0.01 -0.04 7.03 7.02 2zpyA1 ASN 23 HD22 0.01 0.03 -0.01 -0.04 7.74 7.72 2zpyA1 THR 24 H 0.00 0.36 -0.46 -0.55 8.28 7.64 2zpyA1 THR 24 HA -0.00 0.04 0.47 -0.75 4.39 4.14 2zpyA1 THR 24 HB -0.01 0.03 0.04 -0.04 4.32 4.34 2zpyA1 THR 24 HG23 -0.03 0.05 -0.06 -0.04 1.22 1.14 2zpyA1 THR 25 H -0.01 0.09 0.19 -0.55 8.28 8.00 2zpyA1 THR 25 HA -0.00 0.14 0.61 -0.75 4.39 4.38 2zpyA1 THR 25 HB 0.00 0.19 -0.03 -0.04 4.32 4.44 2zpyA1 THR 25 HG23 0.00 0.04 -0.10 -0.04 1.22 1.12 2zpyA1 GLY 26 H -0.00 0.66 0.14 -0.55 8.43 8.67 2zpyA1 GLY 26 HA2 -0.05 0.02 0.35 -0.51 4.01 3.82 2zpyA1 GLY 26 HA3 0.00 0.22 0.27 -0.51 4.01 4.00 2zpyA1 LYS 27 H 0.00 0.56 -0.01 -0.55 8.42 8.43 2zpyA1 LYS 27 HA 0.05 0.05 0.38 -0.75 4.32 4.04 2zpyA1 LYS 27 HB2 -0.01 0.08 0.04 -0.04 1.87 1.94 2zpyA1 LYS 27 HB3 0.01 -0.03 0.03 -0.04 1.79 1.76 2zpyA1 LYS 27 HG2 0.02 0.04 -0.06 -0.04 1.46 1.41 2zpyA1 LYS 27 HG3 0.05 -0.02 -0.21 -0.04 1.46 1.24 2zpyA1 LYS 27 HD2 0.05 -0.05 0.03 -0.04 1.69 1.69 2zpyA1 LYS 27 HD3 -0.05 -0.01 -0.02 -0.04 1.68 1.55 2zpyA1 LYS 27 HE2 0.02 0.03 -0.04 -0.04 2.99 2.96 2zpyA1 LYS 27 HE3 0.02 0.02 -0.04 -0.04 2.99 2.95 2zpyA1 GLN 28 H 0.00 0.12 -0.31 -0.55 8.47 7.74 2zpyA1 GLN 28 HA 0.01 0.09 0.44 -0.75 4.36 4.15 2zpyA1 GLN 28 HB2 -0.02 0.02 0.13 -0.04 2.15 2.23 2zpyA1 GLN 28 HB3 -0.02 0.04 -0.00 -0.04 2.02 1.99 2zpyA1 GLN 28 HG2 0.00 0.06 0.02 -0.04 2.40 2.44 2zpyA1 GLN 28 HG3 0.00 -0.04 0.01 -0.04 2.39 2.32 2zpyA1 GLN 28 HE21 0.00 0.04 0.01 -0.04 6.97 6.98 2zpyA1 GLN 28 HE22 0.00 0.03 0.00 -0.04 7.69 7.69 2zpyA1 LEU 29 H -0.05 0.43 -0.21 -0.55 8.37 8.00 2zpyA1 LEU 29 HA -0.21 0.04 0.39 -0.75 4.35 3.81 2zpyA1 LEU 29 HB2 -0.17 -0.01 -0.01 -0.04 1.64 1.42 2zpyA1 LEU 29 HB3 -0.15 0.11 0.11 -0.04 1.64 1.67 2zpyA1 LEU 29 HG -0.32 -0.00 -0.31 -0.04 1.64 0.96 2zpyA1 LEU 29 HD13 -0.36 -0.01 -0.11 -0.04 0.93 0.40 2zpyA1 LEU 29 HD23 -0.68 0.00 -0.15 -0.04 0.89 0.03 2zpyA1 PHE 30 H 0.09 0.78 -0.06 -0.55 8.34 8.60 2zpyA1 PHE 30 HA -0.04 -0.02 0.27 -0.75 4.62 4.07 2zpyA1 PHE 30 HB2 0.01 0.05 0.05 -0.04 3.15 3.21 2zpyA1 PHE 30 HB3 -0.01 0.10 0.14 -0.04 3.06 3.25 2zpyA1 PHE 30 HD2 0.10 -0.01 -0.17 -0.04 7.28 7.16 2zpyA1 PHE 30 HE2 0.13 -0.05 -0.29 -0.04 7.38 7.13 2zpyA1 PHE 30 HZ 0.19 0.18 -0.05 -0.04 7.32 7.60 2zpyA1 ASP 31 H 0.11 0.64 -0.23 -0.55 8.40 8.37 2zpyA1 ASP 31 HA -0.05 -0.01 0.33 -0.75 4.63 4.15 2zpyA1 ASP 31 HB2 0.00 0.08 0.09 -0.04 2.71 2.84 2zpyA1 ASP 31 HB3 0.00 -0.04 0.00 -0.04 2.70 2.63 2zpyA1 GLN 32 H -0.17 0.46 -0.33 -0.55 8.47 7.88 2zpyA1 GLN 32 HA -0.11 0.02 0.45 -0.75 4.36 3.97 2zpyA1 GLN 32 HB2 -0.17 0.05 0.13 -0.04 2.15 2.11 2zpyA1 GLN 32 HB3 -0.52 0.13 0.12 -0.04 2.02 1.71 2zpyA1 GLN 32 HG2 -0.14 -0.03 -0.02 -0.04 2.40 2.16 2zpyA1 GLN 32 HG3 -0.05 -0.03 -0.12 -0.04 2.39 2.16 2zpyA1 GLN 32 HE21 0.06 -0.00 0.02 -0.04 6.97 7.01 2zpyA1 GLN 32 HE22 0.14 -0.00 0.02 -0.04 7.69 7.80 2zpyA1 VAL 33 H -0.40 0.49 -0.20 -0.55 8.24 7.58 2zpyA1 VAL 33 HA -0.24 0.03 0.34 -0.75 4.13 3.50 2zpyA1 VAL 33 HB -0.49 0.17 0.12 -0.04 2.12 1.88 2zpyA1 VAL 33 HG13 -0.68 -0.03 -0.22 -0.04 0.97 0.00 2zpyA1 VAL 33 HG23 -0.37 0.05 -0.11 -0.04 0.95 0.48 2zpyA1 VAL 34 H -0.48 0.55 -0.04 -0.55 8.24 7.72 2zpyA1 VAL 34 HA -0.47 -0.05 0.33 -0.75 4.13 3.19 2zpyA1 VAL 34 HB -0.26 0.13 0.04 -0.04 2.12 1.99 2zpyA1 VAL 34 HG13 -0.64 0.01 -0.05 -0.04 0.97 0.25 2zpyA1 VAL 34 HG23 -0.20 0.03 -0.04 -0.04 0.95 0.70 2zpyA1 LYS 35 H -0.18 0.43 -0.43 -0.55 8.42 7.69 2zpyA1 LYS 35 HA -0.08 0.02 0.44 -0.75 4.32 3.95 2zpyA1 LYS 35 HB2 -0.06 0.08 0.13 -0.04 1.87 1.97 2zpyA1 LYS 35 HB3 -0.06 0.10 0.16 -0.04 1.79 1.95 2zpyA1 LYS 35 HG2 -0.03 0.00 -0.16 -0.04 1.46 1.24 2zpyA1 LYS 35 HG3 -0.03 -0.05 0.03 -0.04 1.46 1.37 2zpyA1 LYS 35 HD2 -0.02 -0.01 -0.02 -0.04 1.69 1.60 2zpyA1 LYS 35 HD3 -0.01 0.01 -0.01 -0.04 1.68 1.62 2zpyA1 LYS 35 HE2 -0.01 0.00 -0.03 -0.04 2.99 2.92 2zpyA1 LYS 35 HE3 -0.01 -0.02 -0.01 -0.04 2.99 2.91 2zpyA1 THR 36 H -0.08 0.52 -0.14 -0.55 8.28 8.03 2zpyA1 THR 36 HA -0.02 0.02 0.39 -0.75 4.39 4.03 2zpyA1 THR 36 HB 0.04 0.08 0.16 -0.04 4.32 4.55 2zpyA1 THR 36 HG23 -0.03 -0.03 -0.05 -0.04 1.22 1.07 2zpyA1 VAL 37 H -0.17 0.39 -0.18 -0.55 8.24 7.72 2zpyA1 VAL 37 HA -0.09 0.19 0.74 -0.75 4.13 4.22 2zpyA1 VAL 37 HB -0.14 -0.07 0.11 -0.04 2.12 1.98 2zpyA1 VAL 37 HG13 -0.16 0.01 -0.07 -0.04 0.97 0.70 2zpyA1 VAL 37 HG23 -0.34 0.01 -0.11 -0.04 0.95 0.47 2zpyA1 GLY 38 H -0.10 0.38 -0.62 -0.55 8.43 7.54 2zpyA1 GLY 38 HA2 -0.07 0.08 0.28 -0.51 4.01 3.80 2zpyA1 GLY 38 HA3 -0.06 -0.03 0.34 -0.51 4.01 3.76 2zpyA1 LEU 39 H -0.17 0.40 -0.15 -0.55 8.37 7.90 2zpyA1 LEU 39 HA -0.10 -0.05 0.61 -0.75 4.35 4.05 2zpyA1 LEU 39 HB2 -0.25 0.03 -0.08 -0.04 1.64 1.30 2zpyA1 LEU 39 HB3 -0.28 0.02 0.06 -0.04 1.64 1.39 2zpyA1 LEU 39 HG -0.19 -0.07 -0.63 -0.04 1.64 0.71 2zpyA1 LEU 39 HD13 -0.08 -0.00 -0.07 -0.04 0.93 0.74 2zpyA1 LEU 39 HD23 -0.52 0.03 -0.18 -0.04 0.89 0.18 2zpyA1 ARG 40 H -0.07 0.03 0.20 -0.55 8.46 8.07 2zpyA1 ARG 40 HA -0.06 0.26 0.85 -0.75 4.34 4.64 2zpyA1 ARG 40 HB2 0.00 -0.06 0.08 -0.04 1.90 1.88 2zpyA1 ARG 40 HB3 0.04 0.03 0.08 -0.04 1.80 1.90 2zpyA1 ARG 40 HG2 0.00 0.05 -0.09 -0.04 1.67 1.59 2zpyA1 ARG 40 HG3 -0.02 0.08 -0.21 -0.04 1.67 1.48 2zpyA1 ARG 40 HD2 0.01 0.04 -0.01 -0.04 3.22 3.22 2zpyA1 ARG 40 HD3 0.02 -0.05 0.02 -0.04 3.22 3.17 2zpyA1 GLU 41 H -0.16 -0.02 0.04 -0.55 8.60 7.92 2zpyA1 GLU 41 HA -1.68 0.19 0.64 -0.75 4.29 2.69 2zpyA1 GLU 41 HB2 0.01 -0.10 0.22 -0.04 2.09 2.18 2zpyA1 GLU 41 HB3 -0.07 0.09 0.20 -0.04 1.99 2.18 2zpyA1 GLU 41 HG2 0.25 0.19 0.10 -0.04 2.34 2.84 2zpyA1 GLU 41 HG3 0.01 -0.05 -0.01 -0.04 2.34 2.26 2zpyA1 VAL 42 H -0.62 0.49 -0.37 -0.55 8.24 7.19 2zpyA1 VAL 42 HA 0.13 0.07 0.32 -0.75 4.13 3.89 2zpyA1 VAL 42 HB 0.45 0.01 -0.04 -0.04 2.12 2.49 2zpyA1 VAL 42 HG13 -0.07 -0.00 -0.25 -0.04 0.97 0.61 2zpyA1 VAL 42 HG23 0.20 0.04 -0.11 -0.04 0.95 1.03 2zpyA1 TRP 43 H -0.76 0.11 -0.14 -0.55 7.97 6.63 2zpyA1 TRP 43 HA 0.01 0.10 0.30 -0.75 4.62 4.28 2zpyA1 TRP 43 HB2 -0.28 0.07 0.01 -0.04 3.23 2.98 2zpyA1 TRP 43 HB3 -0.13 0.01 0.07 -0.04 3.23 3.13 2zpyA1 TRP 43 HD1 -1.61 0.04 -0.21 -0.04 7.22 5.41 2zpyA1 TRP 43 HE1 -0.45 0.06 -0.04 -0.04 10.20 9.73 2zpyA1 TRP 43 HE3 -0.03 -0.01 0.04 -0.04 7.59 7.56 2zpyA1 TRP 43 HZ2 0.04 0.07 0.04 -0.04 7.44 7.54 2zpyA1 TRP 43 HZ3 0.01 0.04 0.09 -0.04 7.13 7.23 2zpyA1 TRP 43 HH2 0.02 0.01 0.01 -0.04 7.19 7.19 2zpyA1 PHE 44 H -0.07 0.10 -0.50 -0.55 8.34 7.31 2zpyA1 PHE 44 HA 0.21 0.15 0.60 -0.75 4.62 4.83 2zpyA1 PHE 44 HB2 -0.48 -0.02 0.01 -0.04 3.15 2.62 2zpyA1 PHE 44 HB3 -0.15 0.19 0.10 -0.04 3.06 3.15 2zpyA1 PHE 44 HD2 0.15 0.06 -0.18 -0.04 7.28 7.27 2zpyA1 PHE 44 HE2 0.21 0.02 -0.17 -0.04 7.38 7.41 2zpyA1 PHE 44 HZ 0.30 0.01 -0.10 -0.04 7.32 7.50 2zpyA1 PHE 45 H 0.46 0.35 -0.10 -0.55 8.34 8.50 2zpyA1 PHE 45 HA -0.16 0.08 0.98 -0.75 4.62 4.75 2zpyA1 PHE 45 HB2 0.13 0.03 0.01 -0.04 3.15 3.29 2zpyA1 PHE 45 HB3 -0.83 0.01 0.03 -0.04 3.06 2.23 2zpyA1 PHE 45 HD2 -0.29 0.01 -0.20 -0.04 7.28 6.75 2zpyA1 PHE 45 HE2 0.02 0.07 -0.05 -0.04 7.38 7.37 2zpyA1 PHE 45 HZ 0.11 -0.01 -0.02 -0.04 7.32 7.36 2zpyA1 GLY 46 H 0.05 0.60 0.39 -0.55 8.43 8.92 2zpyA1 GLY 46 HA2 0.22 0.09 0.61 -0.51 4.01 4.42 2zpyA1 GLY 46 HA3 0.07 0.05 0.32 -0.51 4.01 3.94 2zpyA1 LEU 47 H 0.47 0.19 0.20 -0.55 8.37 8.68 2zpyA1 LEU 47 HA 0.32 0.34 1.10 -0.75 4.35 5.36 2zpyA1 LEU 47 HB2 0.25 -0.07 0.12 -0.04 1.64 1.90 2zpyA1 LEU 47 HB3 0.24 0.06 -0.07 -0.04 1.64 1.84 2zpyA1 LEU 47 HG 0.47 -0.06 -0.27 -0.04 1.64 1.74 2zpyA1 LEU 47 HD13 -0.04 -0.00 -0.15 -0.04 0.93 0.70 2zpyA1 LEU 47 HD23 0.28 0.03 -0.17 -0.04 0.89 0.99 2zpyA1 GLN 48 H 0.10 0.76 0.40 -0.55 8.47 9.18 2zpyA1 GLN 48 HA -0.22 0.28 1.08 -0.75 4.36 4.75 2zpyA1 GLN 48 HB2 -0.23 -0.04 0.17 -0.04 2.15 2.00 2zpyA1 GLN 48 HB3 -0.41 0.03 0.03 -0.04 2.02 1.63 2zpyA1 GLN 48 HG2 -1.95 0.00 -0.14 -0.04 2.40 0.27 2zpyA1 GLN 48 HG3 -1.19 -0.03 -0.17 -0.04 2.39 0.96 2zpyA1 GLN 48 HE21 -0.26 0.02 -0.10 -0.04 6.97 6.58 2zpyA1 GLN 48 HE22 -0.97 0.01 -0.15 -0.04 7.69 6.54 2zpyA1 TYR 49 H -0.18 0.73 0.44 -0.55 8.29 8.73 2zpyA1 TYR 49 HA -0.14 0.25 0.83 -0.75 4.56 4.75 2zpyA1 TYR 49 HB2 -0.32 0.03 0.19 -0.04 3.06 2.91 2zpyA1 TYR 49 HB3 0.07 -0.03 -0.16 -0.04 2.98 2.83 2zpyA1 TYR 49 HD2 0.08 0.03 -0.27 -0.04 7.15 6.95 2zpyA1 TYR 49 HE2 0.10 0.06 -0.42 -0.04 6.85 6.54 2zpyA1 VAL 50 H 0.03 0.26 0.23 -0.55 8.24 8.22 2zpyA1 VAL 50 HA -0.17 0.27 0.84 -0.75 4.13 4.31 2zpyA1 VAL 50 HB -0.05 -0.00 0.10 -0.04 2.12 2.13 2zpyA1 VAL 50 HG13 -0.08 0.06 -0.20 -0.04 0.97 0.71 2zpyA1 VAL 50 HG23 -0.09 0.00 -0.19 -0.04 0.95 0.64 2zpyA1 ASP 51 H -0.07 0.42 0.21 -0.55 8.40 8.42 2zpyA1 ASP 51 HA 0.19 0.34 0.83 -0.75 4.63 5.23 2zpyA1 ASP 51 HB2 0.13 0.02 0.25 -0.04 2.71 3.07 2zpyA1 ASP 51 HB3 0.08 0.10 0.09 -0.04 2.70 2.94 2zpyA1 SER 52 H 0.07 0.35 0.19 -0.55 8.46 8.52 2zpyA1 SER 52 HA -0.00 0.08 0.42 -0.75 4.49 4.24 2zpyA1 SER 52 HB2 0.01 0.03 0.08 -0.04 3.95 4.04 2zpyA1 SER 52 HB3 0.03 0.04 0.11 -0.04 3.93 4.07 2zpyA1 LYS 53 H 0.02 0.04 -0.23 -0.55 8.42 7.70 2zpyA1 LYS 53 HA -0.10 0.19 0.60 -0.75 4.32 4.25 2zpyA1 LYS 53 HB2 0.16 -0.05 0.03 -0.04 1.87 1.96 2zpyA1 LYS 53 HB3 -0.11 0.04 0.13 -0.04 1.79 1.81 2zpyA1 LYS 53 HG2 0.03 0.06 0.01 -0.04 1.46 1.51 2zpyA1 LYS 53 HG3 0.05 -0.07 -0.05 -0.04 1.46 1.35 2zpyA1 LYS 53 HD2 0.24 0.01 0.01 -0.04 1.69 1.90 2zpyA1 LYS 53 HD3 0.09 0.01 -0.00 -0.04 1.68 1.75 2zpyA1 LYS 53 HE2 0.11 0.00 -0.00 -0.04 2.99 3.06 2zpyA1 LYS 53 HE3 0.09 -0.01 0.01 -0.04 2.99 3.04 2zpyA1 GLY 54 H -0.12 0.46 -0.66 -0.55 8.43 7.57 2zpyA1 GLY 54 HA2 -0.14 0.07 0.22 -0.51 4.01 3.65 2zpyA1 GLY 54 HA3 -0.24 0.07 0.38 -0.51 4.01 3.71 2zpyA1 TYR 55 H -0.06 -0.03 -0.12 -0.55 8.29 7.53 2zpyA1 TYR 55 HA -0.06 0.23 0.97 -0.75 4.56 4.93 2zpyA1 TYR 55 HB2 -0.06 -0.11 0.02 -0.04 3.06 2.87 2zpyA1 TYR 55 HB3 -0.06 0.11 -0.04 -0.04 2.98 2.95 2zpyA1 TYR 55 HD2 -0.02 -0.04 -0.04 -0.04 7.15 7.00 2zpyA1 TYR 55 HE2 -0.01 -0.03 -0.01 -0.04 6.85 6.76 2zpyA1 SER 56 H 0.01 0.15 0.16 -0.55 8.46 8.24 2zpyA1 SER 56 HA -0.20 0.20 0.60 -0.75 4.49 4.34 2zpyA1 SER 56 HB2 -0.10 -0.03 0.14 -0.04 3.95 3.92 2zpyA1 SER 56 HB3 -0.23 0.02 -0.01 -0.04 3.93 3.67 2zpyA1 THR 57 H -0.45 0.69 0.47 -0.55 8.28 8.45 2zpyA1 THR 57 HA -0.17 0.12 0.82 -0.75 4.39 4.41 2zpyA1 THR 57 HB -1.04 -0.04 -0.12 -0.04 4.32 3.09 2zpyA1 THR 57 HG23 0.02 0.05 0.04 -0.04 1.22 1.29 2zpyA1 TRP 58 H 0.20 0.14 0.16 -0.55 7.97 7.92 2zpyA1 TRP 58 HA 0.09 0.22 0.84 -0.75 4.62 5.02 2zpyA1 TRP 58 HB2 0.04 -0.04 0.09 -0.04 3.23 3.27 2zpyA1 TRP 58 HB3 0.05 0.04 -0.01 -0.04 3.23 3.27 2zpyA1 TRP 58 HD1 0.00 -0.02 -0.01 -0.04 7.22 7.15 2zpyA1 TRP 58 HE1 -0.04 0.04 -0.07 -0.04 10.20 10.10 2zpyA1 TRP 58 HE3 0.03 -0.03 -0.19 -0.04 7.59 7.37 2zpyA1 TRP 58 HZ2 -0.11 0.08 -0.11 -0.04 7.44 7.26 2zpyA1 TRP 58 HZ3 -0.06 0.00 -0.39 -0.04 7.13 6.64 2zpyA1 TRP 58 HH2 -0.16 0.04 -0.51 -0.04 7.19 6.52 2zpyA1 LEU 59 H 0.49 0.74 0.35 -0.55 8.37 9.40 2zpyA1 LEU 59 HA 0.47 0.07 0.48 -0.75 4.35 4.62 2zpyA1 LEU 59 HB2 0.40 0.06 0.00 -0.04 1.64 2.06 2zpyA1 LEU 59 HB3 0.23 -0.11 0.09 -0.04 1.64 1.81 2zpyA1 LEU 59 HG 0.07 0.12 -0.21 -0.04 1.64 1.58 2zpyA1 LEU 59 HD13 -0.02 0.00 -0.06 -0.04 0.93 0.82 2zpyA1 LEU 59 HD23 -0.14 -0.03 -0.09 -0.04 0.89 0.59 2zpyA1 LYS 60 H 0.18 0.18 0.15 -0.55 8.42 8.39 2zpyA1 LYS 60 HA 0.10 0.11 0.58 -0.75 4.32 4.35 2zpyA1 LYS 60 HB2 0.08 0.02 0.14 -0.04 1.87 2.07 2zpyA1 LYS 60 HB3 0.07 -0.09 0.06 -0.04 1.79 1.78 2zpyA1 LYS 60 HG2 0.17 0.08 0.09 -0.04 1.46 1.75 2zpyA1 LYS 60 HG3 0.10 0.02 0.04 -0.04 1.46 1.58 2zpyA1 LYS 60 HD2 0.14 0.04 -0.12 -0.04 1.69 1.70 2zpyA1 LYS 60 HD3 0.13 0.05 -0.02 -0.04 1.68 1.80 2zpyA1 LYS 60 HE2 0.08 0.05 -0.00 -0.04 2.99 3.07 2zpyA1 LYS 60 HE3 0.07 0.01 0.01 -0.04 2.99 3.04 2zpyA1 LEU 61 H 0.01 0.23 0.18 -0.55 8.37 8.26 2zpyA1 LEU 61 HA 0.00 -0.01 0.47 -0.75 4.35 4.07 2zpyA1 LEU 61 HB2 -0.06 0.06 0.05 -0.04 1.64 1.65 2zpyA1 LEU 61 HB3 -0.06 -0.08 0.00 -0.04 1.64 1.46 2zpyA1 LEU 61 HG -0.11 0.09 0.05 -0.04 1.64 1.63 2zpyA1 LEU 61 HD13 -0.49 0.02 -0.04 -0.04 0.93 0.38 2zpyA1 LEU 61 HD23 -0.02 0.01 -0.30 -0.04 0.89 0.53 2zpyA1 ASN 62 H 0.01 0.09 -0.08 -0.55 8.53 8.01 2zpyA1 ASN 62 HA 0.00 0.13 0.61 -0.75 4.76 4.76 2zpyA1 ASN 62 HB2 0.01 0.05 0.10 -0.04 2.88 2.99 2zpyA1 ASN 62 HB3 0.00 0.01 0.06 -0.04 2.79 2.82 2zpyA1 ASN 62 HD21 0.03 0.03 -0.03 -0.04 7.03 7.01 2zpyA1 ASN 62 HD22 0.01 0.03 -0.01 -0.04 7.74 7.73 2zpyA1 LYS 63 H 0.03 0.10 -0.41 -0.55 8.42 7.58 2zpyA1 LYS 63 HA 0.02 0.20 0.87 -0.75 4.32 4.65 2zpyA1 LYS 63 HB2 0.04 0.03 -0.02 -0.04 1.87 1.88 2zpyA1 LYS 63 HB3 0.03 0.10 0.04 -0.04 1.79 1.92 2zpyA1 LYS 63 HG2 0.04 -0.16 -0.10 -0.04 1.46 1.20 2zpyA1 LYS 63 HG3 0.05 0.07 -0.01 -0.04 1.46 1.53 2zpyA1 LYS 63 HD2 0.03 0.04 0.01 -0.04 1.69 1.72 2zpyA1 LYS 63 HD3 0.02 0.10 -0.26 -0.04 1.68 1.50 2zpyA1 LYS 63 HE2 0.03 -0.06 -0.09 -0.04 2.99 2.83 2zpyA1 LYS 63 HE3 0.04 0.02 -0.03 -0.04 2.99 2.98 2zpyA1 LYS 64 H 0.02 0.14 0.10 -0.55 8.42 8.12 2zpyA1 LYS 64 HA 0.00 0.07 0.34 -0.75 4.32 3.99 2zpyA1 LYS 64 HB2 0.01 -0.03 0.08 -0.04 1.87 1.90 2zpyA1 LYS 64 HB3 0.01 0.01 -0.02 -0.04 1.79 1.75 2zpyA1 LYS 64 HG2 0.01 0.15 -0.24 -0.04 1.46 1.34 2zpyA1 LYS 64 HG3 0.01 -0.03 0.00 -0.04 1.46 1.40 2zpyA1 LYS 64 HD2 0.01 0.05 0.03 -0.04 1.69 1.73 2zpyA1 LYS 64 HD3 0.01 0.03 0.02 -0.04 1.68 1.70 2zpyA1 LYS 64 HE2 0.01 -0.00 0.03 -0.04 2.99 2.98 2zpyA1 LYS 64 HE3 0.01 -0.04 0.01 -0.04 2.99 2.93 2zpyA1 VAL 65 H -0.01 0.84 0.30 -0.55 8.24 8.82 2zpyA1 VAL 65 HA -0.02 0.07 0.31 -0.75 4.13 3.73 2zpyA1 VAL 65 HB 0.01 0.03 0.03 -0.04 2.12 2.15 2zpyA1 VAL 65 HG13 0.08 -0.00 -0.17 -0.04 0.97 0.83 2zpyA1 VAL 65 HG23 -0.06 0.02 -0.28 -0.04 0.95 0.58 2zpyA1 THR 66 H 0.01 0.20 -0.10 -0.55 8.28 7.84 2zpyA1 THR 66 HA 0.02 0.07 0.37 -0.75 4.39 4.10 2zpyA1 THR 66 HB 0.02 0.05 0.14 -0.04 4.32 4.48 2zpyA1 THR 66 HG23 0.01 -0.00 0.00 -0.04 1.22 1.19 2zpyA1 GLN 67 H 0.01 0.24 -0.76 -0.55 8.47 7.41 2zpyA1 GLN 67 HA 0.02 0.17 0.79 -0.75 4.36 4.59 2zpyA1 GLN 67 HB2 0.02 0.02 0.11 -0.04 2.15 2.27 2zpyA1 GLN 67 HB3 0.03 -0.00 0.16 -0.04 2.02 2.17 2zpyA1 GLN 67 HG2 0.02 -0.07 -0.08 -0.04 2.40 2.22 2zpyA1 GLN 67 HG3 0.02 -0.01 0.01 -0.04 2.39 2.37 2zpyA1 GLN 67 HE21 0.02 0.02 -0.04 -0.04 6.97 6.93 2zpyA1 GLN 67 HE22 0.02 -0.02 0.01 -0.04 7.69 7.66 2zpyA1 GLN 68 H 0.01 0.19 -0.35 -0.55 8.47 7.77 2zpyA1 GLN 68 HA 0.08 0.19 0.79 -0.75 4.36 4.66 2zpyA1 GLN 68 HB2 -0.11 0.10 -0.01 -0.04 2.15 2.09 2zpyA1 GLN 68 HB3 0.10 -0.05 0.12 -0.04 2.02 2.15 2zpyA1 GLN 68 HG2 0.06 0.03 -0.10 -0.04 2.40 2.36 2zpyA1 GLN 68 HG3 0.02 0.19 -0.54 -0.04 2.39 2.02 2zpyA1 GLN 68 HE21 0.03 0.20 -0.04 -0.04 6.97 7.13 2zpyA1 GLN 68 HE22 0.01 0.30 -0.66 -0.04 7.69 7.31 2zpyA1 ASP 69 H 0.04 0.15 0.02 -0.55 8.40 8.06 2zpyA1 ASP 69 HA 0.06 0.08 0.31 -0.75 4.63 4.32 2zpyA1 ASP 69 HB2 0.09 0.01 -0.11 -0.04 2.71 2.66 2zpyA1 ASP 69 HB3 0.15 0.18 -0.01 -0.04 2.70 2.98 2zpyA1 VAL 70 H -0.02 0.05 -0.19 -0.55 8.24 7.53 2zpyA1 VAL 70 HA 0.26 0.09 0.38 -0.75 4.13 4.10 2zpyA1 VAL 70 HB -0.08 -0.02 -0.00 -0.04 2.12 1.97 2zpyA1 VAL 70 HG13 -0.22 0.04 -0.06 -0.04 0.97 0.69 2zpyA1 VAL 70 HG23 -0.65 -0.02 -0.10 -0.04 0.95 0.14 2zpyA1 LYS 71 H 0.10 0.86 0.41 -0.55 8.42 9.23 2zpyA1 LYS 71 HA 0.01 -0.12 0.22 -0.75 4.32 3.67 2zpyA1 LYS 71 HB2 -0.01 0.09 -0.10 -0.04 1.87 1.82 2zpyA1 LYS 71 HB3 -0.03 -0.08 0.12 -0.04 1.79 1.76 2zpyA1 LYS 71 HG2 -0.03 0.09 -0.41 -0.04 1.46 1.07 2zpyA1 LYS 71 HG3 -0.02 -0.04 -0.05 -0.04 1.46 1.31 2zpyA1 LYS 71 HD2 -0.04 -0.01 -0.05 -0.04 1.69 1.55 2zpyA1 LYS 71 HD3 -0.04 -0.04 -0.06 -0.04 1.68 1.50 2zpyA1 LYS 71 HE2 -0.03 0.04 -0.07 -0.04 2.99 2.88 2zpyA1 LYS 71 HE3 -0.03 0.00 -0.03 -0.04 2.99 2.89 2zpyA1 LYS 72 H 0.00 0.01 0.17 -0.55 8.42 8.05 2zpyA1 LYS 72 HA -0.01 0.06 0.48 -0.75 4.32 4.10 2zpyA1 LYS 72 HB2 -0.00 -0.04 0.18 -0.04 1.87 1.97 2zpyA1 LYS 72 HB3 0.00 0.00 0.02 -0.04 1.79 1.77 2zpyA1 LYS 72 HG2 0.01 -0.02 0.10 -0.04 1.46 1.52 2zpyA1 LYS 72 HG3 0.01 -0.03 0.06 -0.04 1.46 1.45 2zpyA1 LYS 72 HD2 0.01 -0.01 0.03 -0.04 1.69 1.68 2zpyA1 LYS 72 HD3 0.01 0.09 0.03 -0.04 1.68 1.76 2zpyA1 LYS 72 HE2 0.02 -0.02 0.02 -0.04 2.99 2.96 2zpyA1 LYS 72 HE3 0.01 -0.03 0.03 -0.04 2.99 2.96 2zpyA1 GLU 73 H -0.01 0.29 0.24 -0.55 8.60 8.57 2zpyA1 GLU 73 HA -0.01 -0.01 0.32 -0.75 4.29 3.84 2zpyA1 GLU 73 HB2 -0.02 -0.04 0.03 -0.04 2.09 2.02 2zpyA1 GLU 73 HB3 -0.02 0.21 -0.04 -0.04 1.99 2.09 2zpyA1 GLU 73 HG2 -0.04 0.11 -0.26 -0.04 2.34 2.11 2zpyA1 GLU 73 HG3 -0.03 0.29 -0.40 -0.04 2.34 2.16 2zpyA1 ASN 74 H -0.00 0.21 0.07 -0.55 8.53 8.26 2zpyA1 ASN 74 HA 0.01 0.11 0.90 -0.75 4.76 5.03 2zpyA1 ASN 74 HB2 0.01 0.00 -0.04 -0.04 2.88 2.81 2zpyA1 ASN 74 HB3 0.00 -0.02 0.13 -0.04 2.79 2.87 2zpyA1 ASN 74 HD21 0.01 -0.01 -0.06 -0.04 7.03 6.92 2zpyA1 ASN 74 HD22 0.00 -0.02 -0.01 -0.04 7.74 7.68 2zpyA1 PRO 75 HA 0.03 0.13 0.42 -0.51 4.44 4.51 2zpyA1 PRO 75 HB2 0.07 -0.04 -0.42 -0.04 2.28 1.86 2zpyA1 PRO 75 HB3 0.04 -0.08 -0.22 -0.04 2.02 1.71 2zpyA1 PRO 75 HG2 0.03 0.05 -0.16 -0.04 2.03 1.91 2zpyA1 PRO 75 HG3 0.03 0.00 -0.11 -0.04 2.03 1.91 2zpyA1 PRO 75 HD2 0.01 0.09 0.29 -0.04 3.68 4.02 2zpyA1 PRO 75 HD3 0.01 0.06 0.06 -0.04 3.65 3.73 2zpyA1 LEU 76 H 0.06 0.51 0.42 -0.55 8.37 8.81 2zpyA1 LEU 76 HA -0.08 0.15 0.50 -0.75 4.35 4.16 2zpyA1 LEU 76 HB2 0.19 -0.11 0.07 -0.04 1.64 1.75 2zpyA1 LEU 76 HB3 -0.23 -0.01 0.01 -0.04 1.64 1.37 2zpyA1 LEU 76 HG 0.09 -0.08 -0.04 -0.04 1.64 1.56 2zpyA1 LEU 76 HD13 -0.02 0.05 0.03 -0.04 0.93 0.95 2zpyA1 LEU 76 HD23 0.07 -0.02 0.07 -0.04 0.89 0.96 2zpyA1 GLN 77 H -0.27 0.17 0.18 -0.55 8.47 8.00 2zpyA1 GLN 77 HA -0.02 0.24 1.08 -0.75 4.36 4.90 2zpyA1 GLN 77 HB2 -0.11 -0.06 0.13 -0.04 2.15 2.06 2zpyA1 GLN 77 HB3 -0.05 0.01 -0.03 -0.04 2.02 1.92 2zpyA1 GLN 77 HG2 -0.05 0.10 -0.13 -0.04 2.40 2.28 2zpyA1 GLN 77 HG3 -0.04 -0.03 -0.06 -0.04 2.39 2.22 2zpyA1 GLN 77 HE21 0.01 -0.08 -0.12 -0.04 6.97 6.74 2zpyA1 GLN 77 HE22 -0.01 0.17 -0.19 -0.04 7.69 7.62 2zpyA1 PHE 78 H 0.18 0.72 0.43 -0.55 8.34 9.13 2zpyA1 PHE 78 HA 0.09 0.37 1.13 -0.75 4.62 5.45 2zpyA1 PHE 78 HB2 0.10 -0.04 0.01 -0.04 3.15 3.18 2zpyA1 PHE 78 HB3 0.13 -0.05 -0.04 -0.04 3.06 3.05 2zpyA1 PHE 78 HD2 0.11 0.07 -0.29 -0.04 7.28 7.13 2zpyA1 PHE 78 HE2 -0.09 -0.02 -0.18 -0.04 7.38 7.05 2zpyA1 PHE 78 HZ -0.10 -0.01 -0.14 -0.04 7.32 7.03 2zpyA1 LYS 79 H 0.19 0.62 0.38 -0.55 8.42 9.05 2zpyA1 LYS 79 HA 0.14 0.23 1.09 -0.75 4.32 5.03 2zpyA1 LYS 79 HB2 -0.03 -0.07 0.15 -0.04 1.87 1.88 2zpyA1 LYS 79 HB3 0.02 0.06 -0.06 -0.04 1.79 1.77 2zpyA1 LYS 79 HG2 0.03 0.08 -0.00 -0.04 1.46 1.53 2zpyA1 LYS 79 HG3 0.01 -0.04 -0.19 -0.04 1.46 1.20 2zpyA1 LYS 79 HD2 -0.07 -0.04 -0.08 -0.04 1.69 1.45 2zpyA1 LYS 79 HD3 -0.04 0.02 -0.07 -0.04 1.68 1.55 2zpyA1 LYS 79 HE2 -0.02 0.03 -0.07 -0.04 2.99 2.90 2zpyA1 LYS 79 HE3 -0.03 -0.01 -0.10 -0.04 2.99 2.81 2zpyA1 PHE 80 H 0.27 0.64 0.21 -0.55 8.34 8.91 2zpyA1 PHE 80 HA 0.18 0.21 0.80 -0.75 4.62 5.06 2zpyA1 PHE 80 HB2 0.04 -0.04 -0.07 -0.04 3.15 3.03 2zpyA1 PHE 80 HB3 0.03 -0.05 0.05 -0.04 3.06 3.05 2zpyA1 PHE 80 HD2 -0.03 -0.05 -0.13 -0.04 7.28 7.04 2zpyA1 PHE 80 HE2 -0.70 -0.02 -0.14 -0.04 7.38 6.48 2zpyA1 PHE 80 HZ -0.74 -0.02 -0.12 -0.04 7.32 6.39 2zpyA1 ARG 81 H -0.06 0.60 0.34 -0.55 8.46 8.79 2zpyA1 ARG 81 HA 0.01 0.08 0.71 -0.75 4.34 4.38 2zpyA1 ARG 81 HB2 0.12 -0.01 -0.18 -0.04 1.90 1.79 2zpyA1 ARG 81 HB3 0.04 0.07 -0.04 -0.04 1.80 1.83 2zpyA1 ARG 81 HG2 0.03 -0.06 -0.82 -0.04 1.67 0.77 2zpyA1 ARG 81 HG3 -0.05 -0.00 -0.19 -0.04 1.67 1.39 2zpyA1 ARG 81 HD2 -0.00 -0.03 0.02 -0.04 3.22 3.17 2zpyA1 ARG 81 HD3 0.05 0.08 0.15 -0.04 3.22 3.45 2zpyA1 ALA 82 H -0.28 0.14 0.08 -0.55 8.40 7.80 2zpyA1 ALA 82 HA -0.86 0.02 0.45 -0.75 4.34 3.20 2zpyA1 ALA 82 HB3 -1.27 0.04 0.03 -0.04 1.41 0.17 2zpyA1 LYS 83 H -0.49 0.54 0.45 -0.55 8.42 8.36 2zpyA1 LYS 83 HA -0.41 0.09 0.65 -0.75 4.32 3.90 2zpyA1 LYS 83 HB2 -1.73 -0.09 -0.05 -0.04 1.87 -0.04 2zpyA1 LYS 83 HB3 -1.15 0.11 -0.01 -0.04 1.79 0.70 2zpyA1 LYS 83 HG2 -1.79 0.02 -0.14 -0.04 1.46 -0.49 2zpyA1 LYS 83 HG3 -1.56 -0.02 0.00 -0.04 1.46 -0.16 2zpyA1 LYS 83 HD2 -2.34 -0.07 -0.08 -0.04 1.69 -0.84 2zpyA1 LYS 83 HD3 -1.02 0.04 -0.10 -0.04 1.68 0.56 2zpyA1 LYS 83 HE2 -0.59 0.02 -0.11 -0.04 2.99 2.27 2zpyA1 LYS 83 HE3 -1.27 -0.01 -0.06 -0.04 2.99 1.61 2zpyA1 PHE 84 H -0.29 0.48 0.26 -0.55 8.34 8.24 2zpyA1 PHE 84 HA 0.09 0.20 0.89 -0.75 4.62 5.05 2zpyA1 PHE 84 HB2 0.19 -0.03 0.05 -0.04 3.15 3.32 2zpyA1 PHE 84 HB3 0.20 0.02 -0.00 -0.04 3.06 3.23 2zpyA1 PHE 84 HD2 0.01 0.09 -0.04 -0.04 7.28 7.31 2zpyA1 PHE 84 HE2 -0.09 0.02 -0.03 -0.04 7.38 7.25 2zpyA1 PHE 84 HZ -0.14 -0.02 -0.04 -0.04 7.32 7.09 2zpyA1 PHE 85 H 0.50 0.21 0.12 -0.55 8.34 8.62 2zpyA1 PHE 85 HA 0.11 0.17 0.94 -0.75 4.62 5.09 2zpyA1 PHE 85 HB2 0.06 0.01 0.06 -0.04 3.15 3.24 2zpyA1 PHE 85 HB3 0.08 0.09 -0.02 -0.04 3.06 3.17 2zpyA1 PHE 85 HD2 0.02 0.01 -0.10 -0.04 7.28 7.17 2zpyA1 PHE 85 HE2 -0.07 0.03 -0.16 -0.04 7.38 7.14 2zpyA1 PHE 85 HZ -0.12 0.01 -0.12 -0.04 7.32 7.05 2zpyA1 PRO 86 HA 0.29 0.10 0.42 -0.51 4.44 4.74 2zpyA1 PRO 86 HB2 0.01 -0.04 -0.30 -0.04 2.28 1.92 2zpyA1 PRO 86 HB3 -0.12 0.05 -0.05 -0.04 2.02 1.87 2zpyA1 PRO 86 HG2 -0.09 0.00 -0.14 -0.04 2.03 1.77 2zpyA1 PRO 86 HG3 -0.55 0.00 -0.07 -0.04 2.03 1.37 2zpyA1 PRO 86 HD2 -0.12 0.11 0.15 -0.04 3.68 3.78 2zpyA1 PRO 86 HD3 -1.10 0.14 0.10 -0.04 3.65 2.75 2zpyA1 GLU 87 H 0.18 0.16 0.11 -0.55 8.60 8.50 2zpyA1 GLU 87 HA 0.17 0.12 0.44 -0.75 4.29 4.26 2zpyA1 GLU 87 HB2 0.11 -0.02 0.09 -0.04 2.09 2.22 2zpyA1 GLU 87 HB3 0.11 0.02 0.02 -0.04 1.99 2.09 2zpyA1 GLU 87 HG2 0.23 -0.01 -0.02 -0.04 2.34 2.50 2zpyA1 GLU 87 HG3 0.22 0.00 0.04 -0.04 2.34 2.56 2zpyA1 ASP 88 H 0.07 0.08 -0.30 -0.55 8.40 7.71 2zpyA1 ASP 88 HA 0.00 0.20 0.50 -0.75 4.63 4.58 2zpyA1 ASP 88 HB2 0.02 0.18 -0.21 -0.04 2.71 2.67 2zpyA1 ASP 88 HB3 0.02 -0.06 -0.01 -0.04 2.70 2.61 2zpyA1 VAL 89 H -0.04 0.29 0.00 -0.55 8.24 7.94 2zpyA1 VAL 89 HA -0.11 0.03 0.31 -0.75 4.13 3.61 2zpyA1 VAL 89 HB -0.08 0.01 -0.00 -0.04 2.12 2.01 2zpyA1 VAL 89 HG13 -0.11 0.03 -0.02 -0.04 0.97 0.83 2zpyA1 VAL 89 HG23 -0.06 0.02 -0.08 -0.04 0.95 0.80 2zpyA1 SER 90 H -0.03 0.10 -0.21 -0.55 8.46 7.77 2zpyA1 SER 90 HA -0.01 0.09 0.34 -0.75 4.49 4.15 2zpyA1 SER 90 HB2 -0.01 -0.03 0.02 -0.04 3.95 3.89 2zpyA1 SER 90 HB3 -0.01 0.06 -0.06 -0.04 3.93 3.87 2zpyA1 GLU 91 H 0.02 0.14 -0.26 -0.55 8.60 7.95 2zpyA1 GLU 91 HA 0.03 0.19 0.70 -0.75 4.29 4.46 2zpyA1 GLU 91 HB2 0.03 0.04 0.13 -0.04 2.09 2.25 2zpyA1 GLU 91 HB3 0.02 -0.02 0.00 -0.04 1.99 1.95 2zpyA1 GLU 91 HG2 0.02 -0.10 -0.01 -0.04 2.34 2.21 2zpyA1 GLU 91 HG3 0.04 0.04 -0.12 -0.04 2.34 2.26 2zpyA1 GLU 92 H 0.05 0.24 -0.37 -0.55 8.60 7.97 2zpyA1 GLU 92 HA 0.18 0.24 1.00 -0.75 4.29 4.96 2zpyA1 GLU 92 HB2 0.10 0.03 -0.02 -0.04 2.09 2.16 2zpyA1 GLU 92 HB3 0.44 -0.06 -0.03 -0.04 1.99 2.29 2zpyA1 GLU 92 HG2 0.19 0.08 -0.04 -0.04 2.34 2.53 2zpyA1 GLU 92 HG3 0.11 -0.00 -0.37 -0.04 2.34 2.04 2zpyA1 LEU 93 H 0.03 0.63 0.13 -0.55 8.37 8.61 2zpyA1 LEU 93 HA 0.13 0.04 0.93 -0.75 4.35 4.70 2zpyA1 LEU 93 HB2 -0.03 0.08 0.18 -0.04 1.64 1.83 2zpyA1 LEU 93 HB3 0.01 -0.10 -0.03 -0.04 1.64 1.48 2zpyA1 LEU 93 HG -0.24 -0.01 0.02 -0.04 1.64 1.37 2zpyA1 LEU 93 HD13 -0.45 0.00 -0.05 -0.04 0.93 0.39 2zpyA1 LEU 93 HD23 -0.44 0.02 -0.18 -0.04 0.89 0.25 2zpyA1 ILE 94 H 0.13 0.10 0.09 -0.55 8.25 8.02 2zpyA1 ILE 94 HA 0.05 0.27 0.78 -0.75 4.18 4.53 2zpyA1 ILE 94 HB 0.09 -0.08 0.05 -0.04 1.89 1.92 2zpyA1 ILE 94 HG12 0.13 0.03 -0.23 -0.04 1.49 1.37 2zpyA1 ILE 94 HG13 0.09 0.03 -0.07 -0.04 1.21 1.21 2zpyA1 ILE 94 HG23 0.05 0.00 -0.05 -0.04 0.93 0.89 2zpyA1 ILE 94 HD13 0.06 0.05 -0.25 -0.04 0.88 0.70 2zpyA1 GLN 95 H 0.08 -0.01 0.13 -0.55 8.47 8.13 2zpyA1 GLN 95 HA 0.04 0.19 0.56 -0.75 4.36 4.39 2zpyA1 GLN 95 HB2 0.06 -0.12 0.17 -0.04 2.15 2.21 2zpyA1 GLN 95 HB3 0.03 -0.05 0.12 -0.04 2.02 2.07 2zpyA1 GLN 95 HG2 0.03 0.13 0.09 -0.04 2.40 2.61 2zpyA1 GLN 95 HG3 0.05 0.01 0.12 -0.04 2.39 2.53 2zpyA1 GLN 95 HE21 -0.02 0.35 0.22 -0.04 6.97 7.47 2zpyA1 GLN 95 HE22 0.00 0.04 0.12 -0.04 7.69 7.81 2zpyA1 GLU 96 H 0.02 0.22 0.21 -0.55 8.60 8.51 2zpyA1 GLU 96 HA 0.02 0.13 0.43 -0.75 4.29 4.12 2zpyA1 GLU 96 HB2 0.01 0.06 0.16 -0.04 2.09 2.28 2zpyA1 GLU 96 HB3 0.01 0.01 0.14 -0.04 1.99 2.11 2zpyA1 GLU 96 HG2 -0.00 -0.03 0.06 -0.04 2.34 2.33 2zpyA1 GLU 96 HG3 -0.00 0.04 0.02 -0.04 2.34 2.36 2zpyA1 ILE 97 H 0.02 0.12 -0.06 -0.55 8.25 7.78 2zpyA1 ILE 97 HA 0.02 0.12 0.37 -0.75 4.18 3.94 2zpyA1 ILE 97 HB -0.02 0.12 0.09 -0.04 1.89 2.04 2zpyA1 ILE 97 HG12 -0.09 0.21 -0.09 -0.04 1.49 1.47 2zpyA1 ILE 97 HG13 -0.05 -0.08 -0.29 -0.04 1.21 0.75 2zpyA1 ILE 97 HG23 -0.02 0.00 -0.04 -0.04 0.93 0.83 2zpyA1 ILE 97 HD13 -0.03 -0.01 0.03 -0.04 0.88 0.84 2zpyA1 THR 98 H 0.08 0.03 -0.31 -0.55 8.28 7.53 2zpyA1 THR 98 HA 0.28 0.07 0.34 -0.75 4.39 4.33 2zpyA1 THR 98 HB 0.17 0.11 0.04 -0.04 4.32 4.59 2zpyA1 THR 98 HG23 0.49 0.03 -0.00 -0.04 1.22 1.70 2zpyA1 GLN 99 H 0.12 0.51 -0.16 -0.55 8.47 8.39 2zpyA1 GLN 99 HA 0.15 0.03 0.37 -0.75 4.36 4.16 2zpyA1 GLN 99 HB2 0.05 0.03 0.08 -0.04 2.15 2.26 2zpyA1 GLN 99 HB3 0.04 -0.02 -0.01 -0.04 2.02 1.99 2zpyA1 GLN 99 HG2 0.04 -0.02 -0.11 -0.04 2.40 2.27 2zpyA1 GLN 99 HG3 0.06 0.53 -0.06 -0.04 2.39 2.89 2zpyA1 GLN 99 HE21 0.01 -0.07 -0.06 -0.04 6.97 6.81 2zpyA1 GLN 99 HE22 0.02 0.46 -0.06 -0.04 7.69 8.08 2zpyA1 ARG 100 H 0.11 0.58 -0.25 -0.55 8.46 8.35 2zpyA1 ARG 100 HA 0.15 0.01 0.36 -0.75 4.34 4.12 2zpyA1 ARG 100 HB2 0.05 0.11 0.12 -0.04 1.90 2.14 2zpyA1 ARG 100 HB3 0.08 0.07 0.12 -0.04 1.80 2.03 2zpyA1 ARG 100 HG2 0.13 -0.06 -0.03 -0.04 1.67 1.68 2zpyA1 ARG 100 HG3 0.05 0.01 0.01 -0.04 1.67 1.69 2zpyA1 ARG 100 HD2 0.05 -0.04 -0.08 -0.04 3.22 3.11 2zpyA1 ARG 100 HD3 0.04 0.04 -0.04 -0.04 3.22 3.21 2zpyA1 LEU 101 H 0.18 0.55 -0.07 -0.55 8.37 8.49 2zpyA1 LEU 101 HA 0.12 -0.02 0.46 -0.75 4.35 4.16 2zpyA1 LEU 101 HB2 0.29 0.09 0.15 -0.04 1.64 2.13 2zpyA1 LEU 101 HB3 0.23 -0.05 0.03 -0.04 1.64 1.81 2zpyA1 LEU 101 HG 0.08 0.27 0.09 -0.04 1.64 2.04 2zpyA1 LEU 101 HD13 0.02 -0.02 -0.07 -0.04 0.93 0.83 2zpyA1 LEU 101 HD23 0.09 -0.03 0.03 -0.04 0.89 0.94 2zpyA1 PHE 102 H 0.40 0.56 -0.13 -0.55 8.34 8.62 2zpyA1 PHE 102 HA 0.05 0.02 0.47 -0.75 4.62 4.41 2zpyA1 PHE 102 HB2 0.09 0.11 0.15 -0.04 3.15 3.46 2zpyA1 PHE 102 HB3 0.12 -0.02 -0.05 -0.04 3.06 3.07 2zpyA1 PHE 102 HD2 0.05 0.12 0.02 -0.04 7.28 7.43 2zpyA1 PHE 102 HE2 -0.59 0.02 0.01 -0.04 7.38 6.78 2zpyA1 PHE 102 HZ -0.97 0.11 0.04 -0.04 7.32 6.46 2zpyA1 PHE 103 H 0.36 0.64 -0.08 -0.55 8.34 8.71 2zpyA1 PHE 103 HA 0.07 -0.01 0.41 -0.75 4.62 4.34 2zpyA1 PHE 103 HB2 0.02 0.02 0.11 -0.04 3.15 3.25 2zpyA1 PHE 103 HB3 0.01 0.09 0.23 -0.04 3.06 3.35 2zpyA1 PHE 103 HD2 -0.17 0.02 0.02 -0.04 7.28 7.11 2zpyA1 PHE 103 HE2 -0.48 0.01 -0.05 -0.04 7.38 6.82 2zpyA1 PHE 103 HZ -0.21 0.00 -0.00 -0.04 7.32 7.07 2zpyA1 LEU 104 H 0.13 0.66 -0.06 -0.55 8.37 8.56 2zpyA1 LEU 104 HA -0.40 0.03 0.40 -0.75 4.35 3.62 2zpyA1 LEU 104 HB2 0.03 0.03 0.15 -0.04 1.64 1.81 2zpyA1 LEU 104 HB3 -0.04 0.00 0.00 -0.04 1.64 1.57 2zpyA1 LEU 104 HG 0.21 0.10 0.07 -0.04 1.64 1.97 2zpyA1 LEU 104 HD13 0.06 -0.01 -0.13 -0.04 0.93 0.80 2zpyA1 LEU 104 HD23 -0.01 0.00 -0.02 -0.04 0.89 0.82 2zpyA1 GLN 105 H -0.00 0.53 -0.13 -0.55 8.47 8.32 2zpyA1 GLN 105 HA -0.03 0.04 0.50 -0.75 4.36 4.13 2zpyA1 GLN 105 HB2 -0.05 0.03 0.20 -0.04 2.15 2.30 2zpyA1 GLN 105 HB3 -0.03 0.04 0.17 -0.04 2.02 2.16 2zpyA1 GLN 105 HG2 0.03 -0.00 -0.08 -0.04 2.40 2.31 2zpyA1 GLN 105 HG3 -0.01 -0.01 0.07 -0.04 2.39 2.40 2zpyA1 GLN 105 HE21 -0.08 0.41 0.06 -0.04 6.97 7.32 2zpyA1 GLN 105 HE22 0.12 -0.02 -0.04 -0.04 7.69 7.71 2zpyA1 VAL 106 H 0.08 0.76 -0.01 -0.55 8.24 8.52 2zpyA1 VAL 106 HA 0.11 0.01 0.46 -0.75 4.13 3.96 2zpyA1 VAL 106 HB 0.24 0.12 0.14 -0.04 2.12 2.58 2zpyA1 VAL 106 HG13 0.33 -0.02 -0.14 -0.04 0.97 1.10 2zpyA1 VAL 106 HG23 0.44 -0.00 0.03 -0.04 0.95 1.37 2zpyA1 LYS 107 H -0.23 0.73 -0.06 -0.55 8.42 8.31 2zpyA1 LYS 107 HA 0.07 -0.01 0.39 -0.75 4.32 4.01 2zpyA1 LYS 107 HB2 -1.10 0.00 0.09 -0.04 1.87 0.82 2zpyA1 LYS 107 HB3 -0.59 0.08 0.11 -0.04 1.79 1.35 2zpyA1 LYS 107 HG2 -0.21 0.01 -0.20 -0.04 1.46 1.01 2zpyA1 LYS 107 HG3 -0.10 -0.06 0.03 -0.04 1.46 1.29 2zpyA1 LYS 107 HD2 -0.14 0.02 -0.01 -0.04 1.69 1.51 2zpyA1 LYS 107 HD3 -0.84 -0.03 -0.02 -0.04 1.68 0.75 2zpyA1 LYS 107 HE2 -0.13 -0.02 -0.03 -0.04 2.99 2.78 2zpyA1 LYS 107 HE3 -0.52 0.01 -0.04 -0.04 2.99 2.40 2zpyA1 GLU 108 H -0.11 0.47 -0.34 -0.55 8.60 8.08 2zpyA1 GLU 108 HA -0.07 0.02 0.46 -0.75 4.29 3.95 2zpyA1 GLU 108 HB2 -0.07 0.03 0.14 -0.04 2.09 2.15 2zpyA1 GLU 108 HB3 -0.05 0.17 0.22 -0.04 1.99 2.29 2zpyA1 GLU 108 HG2 -0.04 -0.02 -0.30 -0.04 2.34 1.95 2zpyA1 GLU 108 HG3 -0.04 -0.05 0.00 -0.04 2.34 2.21 2zpyA1 ALA 109 H -0.02 0.50 -0.13 -0.55 8.40 8.21 2zpyA1 ALA 109 HA -0.03 0.01 0.40 -0.75 4.34 3.96 2zpyA1 ALA 109 HB3 -0.02 0.03 0.08 -0.04 1.41 1.46 2zpyA1 ILE 110 H 0.01 0.57 -0.19 -0.55 8.25 8.09 2zpyA1 ILE 110 HA -0.04 0.06 0.51 -0.75 4.18 3.96 2zpyA1 ILE 110 HB 0.06 0.08 0.13 -0.04 1.89 2.13 2zpyA1 ILE 110 HG12 -0.03 0.03 -0.04 -0.04 1.49 1.42 2zpyA1 ILE 110 HG13 0.05 0.06 -0.00 -0.04 1.21 1.27 2zpyA1 ILE 110 HG23 -0.05 -0.01 -0.17 -0.04 0.93 0.66 2zpyA1 ILE 110 HD13 0.01 -0.02 -0.08 -0.04 0.88 0.75 2zpyA1 LEU 111 H -0.03 0.63 -0.14 -0.55 8.37 8.28 2zpyA1 LEU 111 HA -0.06 -0.03 0.31 -0.75 4.35 3.82 2zpyA1 LEU 111 HB2 -0.05 0.24 0.18 -0.04 1.64 1.97 2zpyA1 LEU 111 HB3 -0.05 -0.05 -0.08 -0.04 1.64 1.42 2zpyA1 LEU 111 HG -0.05 -0.07 -0.27 -0.04 1.64 1.21 2zpyA1 LEU 111 HD13 -0.03 0.01 -0.29 -0.04 0.93 0.57 2zpyA1 LEU 111 HD23 -0.05 0.04 -0.10 -0.04 0.89 0.73 2zpyA1 ASN 112 H -0.04 0.46 -0.30 -0.55 8.53 8.10 2zpyA1 ASN 112 HA -0.04 0.08 0.61 -0.75 4.76 4.65 2zpyA1 ASN 112 HB2 -0.04 0.03 0.09 -0.04 2.88 2.91 2zpyA1 ASN 112 HB3 -0.04 -0.04 0.14 -0.04 2.79 2.80 2zpyA1 ASN 112 HD21 -0.04 -0.06 -0.04 -0.04 7.03 6.85 2zpyA1 ASN 112 HD22 -0.04 -0.04 -0.16 -0.04 7.74 7.47 2zpyA1 ASP 113 H -0.05 0.39 -0.67 -0.55 8.40 7.52 2zpyA1 ASP 113 HA -0.05 0.07 0.23 -0.75 4.63 4.12 2zpyA1 ASP 113 HB2 -0.04 0.32 0.14 -0.04 2.71 3.08 2zpyA1 ASP 113 HB3 -0.03 -0.07 0.13 -0.04 2.70 2.70 2zpyA1 GLU 114 H -0.05 0.35 -0.26 -0.55 8.60 8.09 2zpyA1 GLU 114 HA -0.09 0.03 0.36 -0.75 4.29 3.83 2zpyA1 GLU 114 HB2 -0.05 -0.04 0.06 -0.04 2.09 2.02 2zpyA1 GLU 114 HB3 -0.07 -0.03 0.00 -0.04 1.99 1.85 2zpyA1 GLU 114 HG2 -0.05 -0.03 -0.03 -0.04 2.34 2.20 2zpyA1 GLU 114 HG3 -0.04 -0.08 0.06 -0.04 2.34 2.23 2zpyA1 ILE 115 H -0.05 0.27 -0.23 -0.55 8.25 7.70 2zpyA1 ILE 115 HA -0.05 0.16 0.75 -0.75 4.18 4.29 2zpyA1 ILE 115 HB -0.02 -0.05 -0.07 -0.04 1.89 1.70 2zpyA1 ILE 115 HG12 -0.07 0.18 -0.23 -0.04 1.49 1.34 2zpyA1 ILE 115 HG13 -0.05 -0.09 -0.30 -0.04 1.21 0.73 2zpyA1 ILE 115 HG23 0.01 0.03 -0.27 -0.04 0.93 0.66 2zpyA1 ILE 115 HD13 -0.01 -0.01 -0.08 -0.04 0.88 0.75 2zpyA1 TYR 116 H 0.05 0.12 0.00 -0.55 8.29 7.91 2zpyA1 TYR 116 HA -0.07 0.05 0.33 -0.75 4.56 4.12 2zpyA1 TYR 116 HB2 -0.11 0.06 0.04 -0.04 3.06 3.01 2zpyA1 TYR 116 HB3 -0.08 -0.06 0.05 -0.04 2.98 2.85 2zpyA1 TYR 116 HD2 -0.05 0.00 -0.09 -0.04 7.15 6.98 2zpyA1 TYR 116 HE2 -0.02 0.00 -0.09 -0.04 6.85 6.70 2zpyA1 CYS 117 H -0.77 0.16 0.11 -0.55 8.50 7.45 2zpyA1 CYS 117 HA -0.47 0.15 0.76 -0.75 4.58 4.27 2zpyA1 CYS 117 HB2 -0.21 0.13 -0.24 -0.04 2.97 2.62 2zpyA1 CYS 117 HB3 -0.24 -0.03 0.06 -0.04 2.97 2.72 2zpyA1 PRO 118 HA -0.08 0.14 0.42 -0.51 4.44 4.42 2zpyA1 PRO 118 HB2 -0.04 -0.21 0.05 -0.04 2.28 2.05 2zpyA1 PRO 118 HB3 0.04 0.08 0.12 -0.04 2.02 2.22 2zpyA1 PRO 118 HG2 -0.02 0.09 0.07 -0.04 2.03 2.13 2zpyA1 PRO 118 HG3 0.05 0.08 0.06 -0.04 2.03 2.18 2zpyA1 PRO 118 HD2 -0.18 0.08 0.16 -0.04 3.68 3.71 2zpyA1 PRO 118 HD3 -0.31 0.21 0.13 -0.04 3.65 3.64 2zpyA1 PRO 119 HA -0.02 0.10 0.44 -0.51 4.44 4.46 2zpyA1 PRO 119 HB2 0.18 -0.02 0.11 -0.04 2.28 2.50 2zpyA1 PRO 119 HB3 0.32 0.09 0.09 -0.04 2.02 2.48 2zpyA1 PRO 119 HG2 0.44 0.08 0.10 -0.04 2.03 2.61 2zpyA1 PRO 119 HG3 0.21 0.08 0.14 -0.04 2.03 2.41 2zpyA1 PRO 119 HD2 0.15 0.07 0.22 -0.04 3.68 4.09 2zpyA1 PRO 119 HD3 0.11 0.16 0.24 -0.04 3.65 4.12 2zpyA1 GLU 120 H 0.07 0.15 -0.12 -0.55 8.60 8.15 2zpyA1 GLU 120 HA 0.11 0.08 0.38 -0.75 4.29 4.11 2zpyA1 GLU 120 HB2 0.08 0.04 0.08 -0.04 2.09 2.25 2zpyA1 GLU 120 HB3 0.05 -0.04 0.06 -0.04 1.99 2.02 2zpyA1 GLU 120 HG2 0.06 0.03 -0.26 -0.04 2.34 2.12 2zpyA1 GLU 120 HG3 0.14 0.00 -0.02 -0.04 2.34 2.42 2zpyA1 THR 121 H -0.03 0.11 -0.31 -0.55 8.28 7.50 2zpyA1 THR 121 HA -0.10 0.05 0.42 -0.75 4.39 4.01 2zpyA1 THR 121 HB -0.13 0.13 0.02 -0.04 4.32 4.31 2zpyA1 THR 121 HG23 -0.14 0.01 -0.06 -0.04 1.22 0.99 2zpyA1 ALA 122 H -0.09 0.54 -0.21 -0.55 8.40 8.09 2zpyA1 ALA 122 HA -0.13 0.02 0.37 -0.75 4.34 3.85 2zpyA1 ALA 122 HB3 -0.16 0.05 0.08 -0.04 1.41 1.35 2zpyA1 VAL 123 H -0.02 0.41 -0.30 -0.55 8.24 7.78 2zpyA1 VAL 123 HA 0.02 0.04 0.43 -0.75 4.13 3.87 2zpyA1 VAL 123 HB 0.16 0.16 0.14 -0.04 2.12 2.54 2zpyA1 VAL 123 HG13 0.32 -0.02 -0.21 -0.04 0.97 1.02 2zpyA1 VAL 123 HG23 0.27 0.05 -0.01 -0.04 0.95 1.21 2zpyA1 LEU 124 H -0.15 0.42 -0.05 -0.55 8.37 8.04 2zpyA1 LEU 124 HA -0.85 0.02 0.39 -0.75 4.35 3.16 2zpyA1 LEU 124 HB2 -0.57 0.01 0.11 -0.04 1.64 1.14 2zpyA1 LEU 124 HB3 -0.28 0.08 0.16 -0.04 1.64 1.56 2zpyA1 LEU 124 HG -0.18 0.01 -0.19 -0.04 1.64 1.24 2zpyA1 LEU 124 HD13 -1.45 -0.01 0.01 -0.04 0.93 -0.57 2zpyA1 LEU 124 HD23 -0.28 -0.00 -0.03 -0.04 0.89 0.53 2zpyA1 LEU 125 H -0.16 0.75 -0.09 -0.55 8.37 8.32 2zpyA1 LEU 125 HA -0.05 -0.02 0.40 -0.75 4.35 3.93 2zpyA1 LEU 125 HB2 -0.16 0.09 0.15 -0.04 1.64 1.68 2zpyA1 LEU 125 HB3 -0.31 -0.03 -0.02 -0.04 1.64 1.24 2zpyA1 LEU 125 HG -0.27 0.06 0.01 -0.04 1.64 1.39 2zpyA1 LEU 125 HD13 -0.32 -0.01 -0.09 -0.04 0.93 0.46 2zpyA1 LEU 125 HD23 -0.94 -0.04 0.07 -0.04 0.89 -0.06 2zpyA1 ALA 126 H -0.02 0.61 -0.18 -0.55 8.40 8.27 2zpyA1 ALA 126 HA 0.13 0.01 0.43 -0.75 4.34 4.16 2zpyA1 ALA 126 HB3 0.01 0.06 0.12 -0.04 1.41 1.55 2zpyA1 SER 127 H -0.04 0.52 -0.34 -0.55 8.46 8.05 2zpyA1 SER 127 HA 0.05 -0.03 0.37 -0.75 4.49 4.12 2zpyA1 SER 127 HB2 -0.06 0.06 0.16 -0.04 3.95 4.07 2zpyA1 SER 127 HB3 -0.31 0.26 0.14 -0.04 3.93 3.98 2zpyA1 TYR 128 H 0.02 0.47 -0.17 -0.55 8.29 8.06 2zpyA1 TYR 128 HA -0.05 0.04 0.56 -0.75 4.56 4.36 2zpyA1 TYR 128 HB2 0.18 0.11 0.14 -0.04 3.06 3.45 2zpyA1 TYR 128 HB3 0.04 0.07 0.03 -0.04 2.98 3.08 2zpyA1 TYR 128 HD2 -0.24 -0.01 -0.04 -0.04 7.15 6.82 2zpyA1 TYR 128 HE2 -0.40 -0.01 -0.09 -0.04 6.85 6.30 2zpyA1 ALA 129 H 0.31 0.50 -0.11 -0.55 8.40 8.56 2zpyA1 ALA 129 HA 0.28 -0.01 0.40 -0.75 4.34 4.25 2zpyA1 ALA 129 HB3 0.20 0.04 0.11 -0.04 1.41 1.72 2zpyA1 VAL 130 H 0.07 0.59 -0.19 -0.55 8.24 8.16 2zpyA1 VAL 130 HA 0.17 0.02 0.40 -0.75 4.13 3.97 2zpyA1 VAL 130 HB -0.14 -0.06 -0.02 -0.04 2.12 1.86 2zpyA1 VAL 130 HG13 0.01 0.11 -0.04 -0.04 0.97 1.00 2zpyA1 VAL 130 HG23 -0.35 0.07 -0.01 -0.04 0.95 0.63 2zpyA1 GLN 131 H 0.01 0.46 -0.19 -0.55 8.47 8.20 2zpyA1 GLN 131 HA 0.13 0.17 0.35 -0.75 4.36 4.25 2zpyA1 GLN 131 HB2 0.27 0.07 0.12 -0.04 2.15 2.57 2zpyA1 GLN 131 HB3 0.13 0.06 0.15 -0.04 2.02 2.31 2zpyA1 GLN 131 HG2 0.21 -0.02 -0.05 -0.04 2.40 2.51 2zpyA1 GLN 131 HG3 0.14 -0.02 -0.25 -0.04 2.39 2.22 2zpyA1 GLN 131 HE21 0.20 -0.22 -0.33 -0.04 6.97 6.57 2zpyA1 GLN 131 HE22 0.15 0.25 -0.10 -0.04 7.69 7.95 2zpyA1 ALA 132 H 0.05 0.62 -0.25 -0.55 8.40 8.26 2zpyA1 ALA 132 HA -0.02 -0.08 0.43 -0.75 4.34 3.91 2zpyA1 ALA 132 HB3 -0.18 -0.01 0.06 -0.04 1.41 1.25 2zpyA1 LYS 133 H 0.05 0.48 -0.17 -0.55 8.42 8.21 2zpyA1 LYS 133 HA -0.06 0.03 0.58 -0.75 4.32 4.13 2zpyA1 LYS 133 HB2 -0.02 -0.04 0.08 -0.04 1.87 1.85 2zpyA1 LYS 133 HB3 -0.01 0.03 0.17 -0.04 1.79 1.94 2zpyA1 LYS 133 HG2 -0.84 0.03 -0.31 -0.04 1.46 0.30 2zpyA1 LYS 133 HG3 -0.24 -0.04 0.00 -0.04 1.46 1.14 2zpyA1 LYS 133 HD2 -0.07 -0.02 -0.02 -0.04 1.69 1.53 2zpyA1 LYS 133 HD3 -0.10 -0.01 -0.05 -0.04 1.68 1.48 2zpyA1 LYS 133 HE2 -0.47 0.01 -0.06 -0.04 2.99 2.42 2zpyA1 LYS 133 HE3 -0.18 -0.02 -0.03 -0.04 2.99 2.71 2zpyA1 TYR 134 H 0.20 0.84 0.11 -0.55 8.29 8.89 2zpyA1 TYR 134 HA 0.12 0.10 0.78 -0.75 4.56 4.80 2zpyA1 TYR 134 HB2 -0.00 0.14 -0.00 -0.04 3.06 3.15 2zpyA1 TYR 134 HB3 -0.02 -0.08 -0.03 -0.04 2.98 2.81 2zpyA1 TYR 134 HD2 0.15 0.04 0.03 -0.04 7.15 7.33 2zpyA1 TYR 134 HE2 0.12 -0.03 -0.03 -0.04 6.85 6.87 2zpyA1 GLY 135 H 0.17 0.40 -0.14 -0.55 8.43 8.31 2zpyA1 GLY 135 HA2 0.15 0.08 0.33 -0.51 4.01 4.07 2zpyA1 GLY 135 HA3 0.16 0.00 0.57 -0.51 4.01 4.23 2zpyA1 ASP 136 H 0.15 0.02 0.12 -0.55 8.40 8.15 2zpyA1 ASP 136 HA 0.19 0.02 0.35 -0.75 4.63 4.43 2zpyA1 ASP 136 HB2 0.10 -0.00 0.10 -0.04 2.71 2.87 2zpyA1 ASP 136 HB3 0.08 0.10 -0.04 -0.04 2.70 2.80 2zpyA1 TYR 137 H 0.01 0.12 0.12 -0.55 8.29 7.98 2zpyA1 TYR 137 HA -0.19 0.09 0.41 -0.75 4.56 4.12 2zpyA1 TYR 137 HB2 -1.15 0.06 -0.08 -0.04 3.06 1.85 2zpyA1 TYR 137 HB3 -0.29 -0.00 0.12 -0.04 2.98 2.76 2zpyA1 TYR 137 HD2 -0.27 0.02 -0.07 -0.04 7.15 6.79 2zpyA1 TYR 137 HE2 -0.16 0.10 -0.05 -0.04 6.85 6.70 2zpyA1 ASN 138 H 0.09 0.20 0.11 -0.55 8.53 8.38 2zpyA1 ASN 138 HA -0.33 0.20 0.92 -0.75 4.76 4.79 2zpyA1 ASN 138 HB2 -0.15 0.18 -0.09 -0.04 2.88 2.78 2zpyA1 ASN 138 HB3 -0.45 0.00 0.19 -0.04 2.79 2.50 2zpyA1 ASN 138 HD21 -0.14 0.04 -0.03 -0.04 7.03 6.86 2zpyA1 ASN 138 HD22 -0.20 0.11 0.01 -0.04 7.74 7.62 2zpyA1 LYS 139 H -0.46 0.25 0.03 -0.55 8.42 7.69 2zpyA1 LYS 139 HA -0.35 0.14 0.19 -0.75 4.32 3.55 2zpyA1 LYS 139 HB2 -0.02 0.03 0.08 -0.04 1.87 1.93 2zpyA1 LYS 139 HB3 -0.10 -0.02 0.04 -0.04 1.79 1.66 2zpyA1 LYS 139 HG2 0.00 -0.00 -0.03 -0.04 1.46 1.39 2zpyA1 LYS 139 HG3 -0.04 0.02 -0.21 -0.04 1.46 1.18 2zpyA1 LYS 139 HD2 0.01 0.04 0.09 -0.04 1.69 1.79 2zpyA1 LYS 139 HD3 0.11 -0.00 0.02 -0.04 1.68 1.77 2zpyA1 LYS 139 HE2 0.02 -0.01 -0.00 -0.04 2.99 2.96 2zpyA1 LYS 139 HE3 0.00 0.01 -0.00 -0.04 2.99 2.96 2zpyA1 GLU 140 H -0.21 -0.03 -0.58 -0.55 8.60 7.22 2zpyA1 GLU 140 HA -0.10 0.13 0.51 -0.75 4.29 4.08 2zpyA1 GLU 140 HB2 -0.13 -0.03 0.00 -0.04 2.09 1.88 2zpyA1 GLU 140 HB3 -0.09 0.04 -0.01 -0.04 1.99 1.88 2zpyA1 GLU 140 HG2 -0.06 0.04 -0.03 -0.04 2.34 2.24 2zpyA1 GLU 140 HG3 -0.09 -0.08 -0.05 -0.04 2.34 2.08 2zpyA1 ILE 141 H -0.33 0.25 0.01 -0.55 8.25 7.63 2zpyA1 ILE 141 HA -0.16 0.22 0.99 -0.75 4.18 4.48 2zpyA1 ILE 141 HB -0.23 -0.05 0.01 -0.04 1.89 1.59 2zpyA1 ILE 141 HG12 -0.21 0.01 -0.12 -0.04 1.49 1.13 2zpyA1 ILE 141 HG13 -0.11 -0.00 0.10 -0.04 1.21 1.15 2zpyA1 ILE 141 HG23 -0.89 0.00 0.05 -0.04 0.93 0.05 2zpyA1 ILE 141 HD13 -0.09 0.01 -0.00 -0.04 0.88 0.75 2zpyA1 HIS 142 H -0.52 0.66 0.10 -0.55 8.41 8.11 2zpyA1 HIS 142 HA -0.36 0.18 0.69 -0.75 4.63 4.39 2zpyA1 HIS 142 HB2 -0.79 -0.11 0.04 -0.04 3.26 2.36 2zpyA1 HIS 142 HB3 -1.50 -0.00 0.04 -0.04 3.20 1.70 2zpyA1 HIS 142 HD2 -0.12 0.06 -0.10 -0.04 6.97 6.76 2zpyA1 HIS 142 HE1 0.08 0.33 -0.07 -0.04 7.75 8.06 2zpyA1 LYS 143 H -0.04 0.36 -0.32 -0.55 8.42 7.87 2zpyA1 LYS 143 HA 0.04 0.13 0.49 -0.75 4.32 4.22 2zpyA1 LYS 143 HB2 0.04 -0.00 -0.02 -0.04 1.87 1.84 2zpyA1 LYS 143 HB3 0.04 -0.01 0.03 -0.04 1.79 1.81 2zpyA1 LYS 143 HG2 -0.03 0.11 -0.05 -0.04 1.46 1.46 2zpyA1 LYS 143 HG3 -0.06 0.00 -0.34 -0.04 1.46 1.03 2zpyA1 LYS 143 HD2 -0.00 -0.03 -0.01 -0.04 1.69 1.61 2zpyA1 LYS 143 HD3 0.00 -0.07 -0.00 -0.04 1.68 1.57 2zpyA1 LYS 143 HE2 -0.03 -0.04 0.04 -0.04 2.99 2.92 2zpyA1 LYS 143 HE3 -0.05 0.36 0.09 -0.04 2.99 3.35 2zpyA1 PRO 144 HA 0.22 -0.08 0.38 -0.51 4.44 4.46 2zpyA1 PRO 144 HB2 0.07 0.02 -0.01 -0.04 2.28 2.32 2zpyA1 PRO 144 HB3 0.09 0.03 0.11 -0.04 2.02 2.21 2zpyA1 PRO 144 HG2 0.06 0.04 0.06 -0.04 2.03 2.16 2zpyA1 PRO 144 HG3 0.06 0.05 0.07 -0.04 2.03 2.16 2zpyA1 PRO 144 HD2 0.06 0.12 0.19 -0.04 3.68 4.02 2zpyA1 PRO 144 HD3 0.10 0.14 0.19 -0.04 3.65 4.03 2zpyA1 GLY 145 H 0.12 0.07 0.16 -0.55 8.43 8.24 2zpyA1 GLY 145 HA2 0.04 -0.05 0.36 -0.51 4.01 3.85 2zpyA1 GLY 145 HA3 0.08 0.27 0.79 -0.51 4.01 4.63 2zpyA1 TYR 146 H 0.38 0.35 -0.07 -0.55 8.29 8.40 2zpyA1 TYR 146 HA 0.05 0.11 0.33 -0.75 4.56 4.30 2zpyA1 TYR 146 HB2 0.04 0.02 0.10 -0.04 3.06 3.18 2zpyA1 TYR 146 HB3 0.07 0.25 0.03 -0.04 2.98 3.29 2zpyA1 TYR 146 HD2 -0.30 0.03 -0.22 -0.04 7.15 6.62 2zpyA1 TYR 146 HE2 -0.14 0.00 -0.13 -0.04 6.85 6.55 2zpyA1 LEU 147 H -0.29 -0.07 -0.56 -0.55 8.37 6.90 2zpyA1 LEU 147 HA -0.18 0.28 0.83 -0.75 4.35 4.52 2zpyA1 LEU 147 HB2 -0.30 -0.07 -0.05 -0.04 1.64 1.18 2zpyA1 LEU 147 HB3 -0.19 0.05 0.06 -0.04 1.64 1.52 2zpyA1 LEU 147 HG -1.81 -0.07 -0.21 -0.04 1.64 -0.50 2zpyA1 LEU 147 HD13 -0.25 0.01 -0.08 -0.04 0.93 0.56 2zpyA1 LEU 147 HD23 -0.48 0.06 -0.15 -0.04 0.89 0.28 2zpyA1 ALA 148 H -0.02 0.52 -0.19 -0.55 8.40 8.16 2zpyA1 ALA 148 HA 0.00 -0.01 0.34 -0.75 4.34 3.93 2zpyA1 ALA 148 HB3 0.03 -0.00 0.11 -0.04 1.41 1.50 2zpyA1 ASN 149 H 0.04 0.13 -0.38 -0.55 8.53 7.77 2zpyA1 ASN 149 HA 0.03 0.18 0.71 -0.75 4.76 4.92 2zpyA1 ASN 149 HB2 0.07 0.04 -0.02 -0.04 2.88 2.93 2zpyA1 ASN 149 HB3 0.04 0.00 0.12 -0.04 2.79 2.92 2zpyA1 ASN 149 HD21 0.06 -0.01 -0.04 -0.04 7.03 7.00 2zpyA1 ASN 149 HD22 0.08 0.06 -0.04 -0.04 7.74 7.80 2zpyA1 ASP 150 H 0.02 0.48 -0.40 -0.55 8.40 7.96 2zpyA1 ASP 150 HA 0.04 0.16 0.88 -0.75 4.63 4.95 2zpyA1 ASP 150 HB2 0.03 0.05 0.05 -0.04 2.71 2.79 2zpyA1 ASP 150 HB3 0.05 0.05 -0.16 -0.04 2.70 2.59 2zpyA1 ARG 151 H 0.00 0.19 0.10 -0.55 8.46 8.20 2zpyA1 ARG 151 HA -0.03 0.07 0.67 -0.75 4.34 4.29 2zpyA1 ARG 151 HB2 -0.02 0.01 0.07 -0.04 1.90 1.92 2zpyA1 ARG 151 HB3 -0.02 0.01 0.14 -0.04 1.80 1.89 2zpyA1 ARG 151 HG2 -0.05 0.03 -0.22 -0.04 1.67 1.39 2zpyA1 ARG 151 HG3 -0.04 -0.02 0.04 -0.04 1.67 1.61 2zpyA1 ARG 151 HD2 -0.04 0.02 -0.01 -0.04 3.22 3.14 2zpyA1 ARG 151 HD3 -0.03 -0.02 -0.01 -0.04 3.22 3.12 2zpyA1 LEU 152 H -0.06 0.06 0.15 -0.55 8.37 7.97 2zpyA1 LEU 152 HA -0.02 0.25 0.97 -0.75 4.35 4.80 2zpyA1 LEU 152 HB2 -0.06 -0.03 -0.03 -0.04 1.64 1.48 2zpyA1 LEU 152 HB3 -0.02 -0.03 0.00 -0.04 1.64 1.55 2zpyA1 LEU 152 HG -0.01 0.07 -0.59 -0.04 1.64 1.07 2zpyA1 LEU 152 HD13 -0.04 -0.02 -0.09 -0.04 0.93 0.75 2zpyA1 LEU 152 HD23 0.03 0.04 -0.16 -0.04 0.89 0.77 2zpyA1 LEU 153 H -0.14 0.03 0.14 -0.55 8.37 7.86 2zpyA1 LEU 153 HA -0.17 0.27 0.93 -0.75 4.35 4.63 2zpyA1 LEU 153 HB2 -0.43 -0.04 0.01 -0.04 1.64 1.14 2zpyA1 LEU 153 HB3 -0.45 0.03 0.05 -0.04 1.64 1.23 2zpyA1 LEU 153 HG -0.27 -0.12 -0.29 -0.04 1.64 0.92 2zpyA1 LEU 153 HD13 -1.16 -0.01 -0.08 -0.04 0.93 -0.37 2zpyA1 LEU 153 HD23 -0.25 0.06 -0.21 -0.04 0.89 0.45 2zpyA1 PRO 154 HA -0.09 0.35 0.68 -0.51 4.44 4.87 2zpyA1 PRO 154 HB2 -0.08 -0.16 0.09 -0.04 2.28 2.09 2zpyA1 PRO 154 HB3 -0.08 0.42 0.22 -0.04 2.02 2.54 2zpyA1 PRO 154 HG2 -0.14 -0.22 0.12 -0.04 2.03 1.76 2zpyA1 PRO 154 HG3 -0.13 0.15 0.09 -0.04 2.03 2.10 2zpyA1 PRO 154 HD2 -0.20 0.04 0.23 -0.04 3.68 3.71 2zpyA1 PRO 154 HD3 -0.12 0.22 0.08 -0.04 3.65 3.79 2zpyA1 GLN 155 H -0.06 0.34 0.20 -0.55 8.47 8.40 2zpyA1 GLN 155 HA -0.06 0.08 0.41 -0.75 4.36 4.04 2zpyA1 GLN 155 HB2 -0.04 0.05 0.15 -0.04 2.15 2.26 2zpyA1 GLN 155 HB3 -0.02 0.01 -0.04 -0.04 2.02 1.93 2zpyA1 GLN 155 HG2 -0.04 0.06 0.09 -0.04 2.40 2.47 2zpyA1 GLN 155 HG3 -0.02 0.03 0.04 -0.04 2.39 2.39 2zpyA1 GLN 155 HE21 -0.02 -0.01 -0.00 -0.04 6.97 6.90 2zpyA1 GLN 155 HE22 -0.03 0.05 0.01 -0.04 7.69 7.67 2zpyA1 ARG 156 H -0.04 0.15 -0.16 -0.55 8.46 7.86 2zpyA1 ARG 156 HA -0.00 0.08 0.33 -0.75 4.34 4.00 2zpyA1 ARG 156 HB2 0.00 0.06 0.07 -0.04 1.90 1.99 2zpyA1 ARG 156 HB3 -0.00 -0.00 0.04 -0.04 1.80 1.79 2zpyA1 ARG 156 HG2 0.06 -0.01 -0.28 -0.04 1.67 1.40 2zpyA1 ARG 156 HG3 0.03 0.01 0.01 -0.04 1.67 1.68 2zpyA1 ARG 156 HD2 0.17 -0.01 -0.05 -0.04 3.22 3.28 2zpyA1 ARG 156 HD3 0.07 0.05 -0.02 -0.04 3.22 3.28 2zpyA1 VAL 157 H -0.08 0.18 -0.34 -0.55 8.24 7.45 2zpyA1 VAL 157 HA 0.04 0.02 0.45 -0.75 4.13 3.89 2zpyA1 VAL 157 HB -0.25 0.19 0.12 -0.04 2.12 2.14 2zpyA1 VAL 157 HG13 -0.39 -0.01 -0.12 -0.04 0.97 0.41 2zpyA1 VAL 157 HG23 -0.10 -0.03 0.03 -0.04 0.95 0.81 2zpyA1 LEU 158 H -0.13 0.38 -0.13 -0.55 8.37 7.95 2zpyA1 LEU 158 HA 0.10 0.04 0.40 -0.75 4.35 4.14 2zpyA1 LEU 158 HB2 -0.03 0.10 0.12 -0.04 1.64 1.79 2zpyA1 LEU 158 HB3 0.05 -0.02 0.01 -0.04 1.64 1.64 2zpyA1 LEU 158 HG -0.24 0.17 -0.10 -0.04 1.64 1.42 2zpyA1 LEU 158 HD13 -0.07 -0.02 -0.04 -0.04 0.93 0.75 2zpyA1 LEU 158 HD23 -0.53 -0.03 -0.03 -0.04 0.89 0.26 2zpyA1 GLU 159 H 0.03 0.46 -0.25 -0.55 8.60 8.29 2zpyA1 GLU 159 HA 0.07 0.08 0.49 -0.75 4.29 4.18 2zpyA1 GLU 159 HB2 0.02 0.05 0.06 -0.04 2.09 2.18 2zpyA1 GLU 159 HB3 0.02 -0.05 0.01 -0.04 1.99 1.92 2zpyA1 GLU 159 HG2 0.03 -0.03 -0.04 -0.04 2.34 2.26 2zpyA1 GLU 159 HG3 0.01 0.11 -0.00 -0.04 2.34 2.42 2zpyA1 GLN 160 H 0.05 0.38 -0.15 -0.55 8.47 8.21 2zpyA1 GLN 160 HA -0.04 0.07 0.58 -0.75 4.36 4.22 2zpyA1 GLN 160 HB2 -0.12 -0.08 0.11 -0.04 2.15 2.02 2zpyA1 GLN 160 HB3 -0.02 0.05 0.12 -0.04 2.02 2.14 2zpyA1 GLN 160 HG2 0.09 0.19 0.20 -0.04 2.40 2.84 2zpyA1 GLN 160 HG3 -0.51 -0.05 -0.19 -0.04 2.39 1.60 2zpyA1 GLN 160 HE21 0.14 -0.07 -0.02 -0.04 6.97 6.98 2zpyA1 GLN 160 HE22 0.07 0.12 -0.12 -0.04 7.69 7.72 2zpyA1 HIS 161 H 0.26 0.46 -0.20 -0.55 8.41 8.39 2zpyA1 HIS 161 HA 0.10 0.09 0.89 -0.75 4.63 4.96 2zpyA1 HIS 161 HB2 0.69 0.12 0.18 -0.04 3.26 4.21 2zpyA1 HIS 161 HB3 0.10 -0.10 0.03 -0.04 3.20 3.19 2zpyA1 HIS 161 HD2 0.04 0.00 0.03 -0.04 6.97 6.99 2zpyA1 HIS 161 HE1 0.12 -0.06 0.01 -0.04 7.75 7.78 2zpyA1 LYS 162 H 0.10 0.14 -0.00 -0.55 8.42 8.10 2zpyA1 LYS 162 HA 0.13 0.27 0.41 -0.75 4.32 4.37 2zpyA1 LYS 162 HB2 0.03 -0.06 0.11 -0.04 1.87 1.90 2zpyA1 LYS 162 HB3 0.04 -0.03 0.19 -0.04 1.79 1.94 2zpyA1 LYS 162 HG2 0.03 -0.03 0.03 -0.04 1.46 1.45 2zpyA1 LYS 162 HG3 0.06 0.14 -0.06 -0.04 1.46 1.55 2zpyA1 LYS 162 HD2 0.02 0.04 0.01 -0.04 1.69 1.72 2zpyA1 LYS 162 HD3 0.03 0.00 0.04 -0.04 1.68 1.72 2zpyA1 LYS 162 HE2 0.02 -0.04 0.03 -0.04 2.99 2.95 2zpyA1 LYS 162 HE3 0.01 -0.01 0.02 -0.04 2.99 2.97 2zpyA1 LEU 163 H 0.02 0.35 -0.48 -0.55 8.37 7.70 2zpyA1 LEU 163 HA -0.19 0.01 0.49 -0.75 4.35 3.91 2zpyA1 LEU 163 HB2 -1.46 0.09 0.01 -0.04 1.64 0.23 2zpyA1 LEU 163 HB3 -0.77 -0.09 0.02 -0.04 1.64 0.77 2zpyA1 LEU 163 HG -0.46 -0.02 -0.04 -0.04 1.64 1.09 2zpyA1 LEU 163 HD13 -0.39 0.00 -0.14 -0.04 0.93 0.36 2zpyA1 LEU 163 HD23 -1.44 -0.01 -0.11 -0.04 0.89 -0.72 2zpyA1 THR 164 H -0.12 0.02 0.18 -0.55 8.28 7.81 2zpyA1 THR 164 HA 0.06 0.25 0.57 -0.75 4.39 4.52 2zpyA1 THR 164 HB 0.03 -0.02 0.19 -0.04 4.32 4.47 2zpyA1 THR 164 HG23 -0.01 0.05 0.08 -0.04 1.22 1.30 2zpyA1 LYS 165 H 0.10 0.22 0.17 -0.55 8.42 8.36 2zpyA1 LYS 165 HA 0.33 0.15 0.40 -0.75 4.32 4.45 2zpyA1 LYS 165 HB2 0.10 0.09 0.16 -0.04 1.87 2.17 2zpyA1 LYS 165 HB3 0.07 -0.03 0.10 -0.04 1.79 1.89 2zpyA1 LYS 165 HG2 0.08 -0.09 -0.09 -0.04 1.46 1.31 2zpyA1 LYS 165 HG3 0.09 0.03 0.07 -0.04 1.46 1.60 2zpyA1 LYS 165 HD2 0.04 0.00 0.05 -0.04 1.69 1.74 2zpyA1 LYS 165 HD3 0.03 -0.06 0.04 -0.04 1.68 1.66 2zpyA1 LYS 165 HE2 0.01 -0.07 0.05 -0.04 2.99 2.93 2zpyA1 LYS 165 HE3 0.01 0.33 0.08 -0.04 2.99 3.37 2zpyA1 GLU 166 H 0.05 0.11 -0.11 -0.55 8.60 8.11 2zpyA1 GLU 166 HA 0.04 0.07 0.34 -0.75 4.29 3.99 2zpyA1 GLU 166 HB2 0.01 -0.03 0.03 -0.04 2.09 2.06 2zpyA1 GLU 166 HB3 0.01 0.06 -0.02 -0.04 1.99 2.00 2zpyA1 GLU 166 HG2 0.02 0.08 0.02 -0.04 2.34 2.41 2zpyA1 GLU 166 HG3 0.03 0.02 0.03 -0.04 2.34 2.38 2zpyA1 GLN 167 H -0.03 0.07 -0.37 -0.55 8.47 7.60 2zpyA1 GLN 167 HA -0.07 0.07 0.42 -0.75 4.36 4.03 2zpyA1 GLN 167 HB2 -0.24 0.06 0.13 -0.04 2.15 2.05 2zpyA1 GLN 167 HB3 -0.30 0.05 -0.02 -0.04 2.02 1.72 2zpyA1 GLN 167 HG2 -0.11 0.06 0.03 -0.04 2.40 2.34 2zpyA1 GLN 167 HG3 -0.08 -0.06 0.01 -0.04 2.39 2.22 2zpyA1 GLN 167 HE21 -0.08 0.06 0.03 -0.04 6.97 6.94 2zpyA1 GLN 167 HE22 -0.08 0.03 0.02 -0.04 7.69 7.61 2zpyA1 TRP 168 H 0.09 0.45 -0.20 -0.55 7.97 7.77 2zpyA1 TRP 168 HA -0.00 0.04 0.42 -0.75 4.62 4.32 2zpyA1 TRP 168 HB2 -0.00 0.10 0.15 -0.04 3.23 3.44 2zpyA1 TRP 168 HB3 -0.00 -0.02 -0.06 -0.04 3.23 3.11 2zpyA1 TRP 168 HD1 0.01 -0.02 -0.27 -0.04 7.22 6.91 2zpyA1 TRP 168 HE1 0.04 0.26 0.04 -0.04 10.20 10.49 2zpyA1 TRP 168 HE3 0.00 -0.05 0.01 -0.04 7.59 7.50 2zpyA1 TRP 168 HZ2 0.13 0.23 0.05 -0.04 7.44 7.80 2zpyA1 TRP 168 HZ3 -0.05 -0.03 -0.07 -0.04 7.13 6.94 2zpyA1 TRP 168 HH2 -0.08 -0.04 -0.03 -0.04 7.19 7.00 2zpyA1 GLU 169 H 0.18 0.67 -0.10 -0.55 8.60 8.80 2zpyA1 GLU 169 HA 0.06 0.03 0.34 -0.75 4.29 3.96 2zpyA1 GLU 169 HB2 0.03 0.11 0.12 -0.04 2.09 2.31 2zpyA1 GLU 169 HB3 -0.05 -0.11 -0.03 -0.04 1.99 1.76 2zpyA1 GLU 169 HG2 -0.04 0.02 -0.08 -0.04 2.34 2.21 2zpyA1 GLU 169 HG3 0.07 0.17 0.01 -0.04 2.34 2.55 2zpyA1 GLU 170 H 0.04 0.44 -0.35 -0.55 8.60 8.18 2zpyA1 GLU 170 HA 0.02 -0.01 0.39 -0.75 4.29 3.93 2zpyA1 GLU 170 HB2 -0.01 0.03 0.12 -0.04 2.09 2.20 2zpyA1 GLU 170 HB3 -0.03 0.19 0.16 -0.04 1.99 2.28 2zpyA1 GLU 170 HG2 -0.04 -0.00 -0.18 -0.04 2.34 2.07 2zpyA1 GLU 170 HG3 -0.02 -0.03 0.02 -0.04 2.34 2.27 2zpyA1 ARG 171 H 0.05 0.44 -0.14 -0.55 8.46 8.27 2zpyA1 ARG 171 HA -0.01 0.02 0.46 -0.75 4.34 4.06 2zpyA1 ARG 171 HB2 0.19 0.14 0.17 -0.04 1.90 2.37 2zpyA1 ARG 171 HB3 0.16 -0.04 0.00 -0.04 1.80 1.88 2zpyA1 ARG 171 HG2 -0.03 -0.03 0.03 -0.04 1.67 1.60 2zpyA1 ARG 171 HG3 -0.05 0.03 0.06 -0.04 1.67 1.67 2zpyA1 ARG 171 HD2 -0.14 0.02 -0.01 -0.04 3.22 3.04 2zpyA1 ARG 171 HD3 0.02 -0.03 -0.01 -0.04 3.22 3.16 2zpyA1 ILE 172 H 0.15 0.55 -0.12 -0.55 8.25 8.27 2zpyA1 ILE 172 HA 0.22 0.05 0.38 -0.75 4.18 4.08 2zpyA1 ILE 172 HB 0.07 0.04 0.11 -0.04 1.89 2.07 2zpyA1 ILE 172 HG12 0.11 0.04 0.02 -0.04 1.49 1.61 2zpyA1 ILE 172 HG13 0.20 0.12 0.02 -0.04 1.21 1.50 2zpyA1 ILE 172 HG23 0.04 -0.01 -0.20 -0.04 0.93 0.72 2zpyA1 ILE 172 HD13 0.04 -0.02 -0.17 -0.04 0.88 0.68 2zpyA1 GLN 173 H 0.06 0.76 -0.11 -0.55 8.47 8.63 2zpyA1 GLN 173 HA 0.16 -0.01 0.36 -0.75 4.36 4.12 2zpyA1 GLN 173 HB2 0.13 -0.02 0.06 -0.04 2.15 2.28 2zpyA1 GLN 173 HB3 0.01 0.12 0.14 -0.04 2.02 2.25 2zpyA1 GLN 173 HG2 -0.31 -0.02 -0.30 -0.04 2.40 1.73 2zpyA1 GLN 173 HG3 -0.08 -0.03 -0.03 -0.04 2.39 2.22 2zpyA1 GLN 173 HE21 0.02 -0.02 -0.03 -0.04 6.97 6.90 2zpyA1 GLN 173 HE22 -0.23 -0.01 -0.09 -0.04 7.69 7.32 2zpyA1 ASN 174 H -0.04 0.50 -0.19 -0.55 8.53 8.26 2zpyA1 ASN 174 HA -0.18 -0.01 0.40 -0.75 4.76 4.21 2zpyA1 ASN 174 HB2 -0.19 0.14 0.15 -0.04 2.88 2.95 2zpyA1 ASN 174 HB3 -0.27 -0.05 0.02 -0.04 2.79 2.45 2zpyA1 ASN 174 HD21 -0.10 -0.06 -0.03 -0.04 7.03 6.80 2zpyA1 ASN 174 HD22 -0.15 -0.03 -0.00 -0.04 7.74 7.53 2zpyA1 TRP 175 H 0.10 0.41 -0.25 -0.55 7.97 7.68 2zpyA1 TRP 175 HA -0.21 0.02 0.47 -0.75 4.62 4.14 2zpyA1 TRP 175 HB2 -0.07 0.17 0.17 -0.04 3.23 3.46 2zpyA1 TRP 175 HB3 -0.19 -0.02 -0.04 -0.04 3.23 2.94 2zpyA1 TRP 175 HD1 -0.01 0.06 -0.13 -0.04 7.22 7.10 2zpyA1 TRP 175 HE1 0.00 -0.04 -0.04 -0.04 10.20 10.08 2zpyA1 TRP 175 HE3 -0.19 0.00 0.02 -0.04 7.59 7.39 2zpyA1 TRP 175 HZ2 0.01 -0.03 -0.02 -0.04 7.44 7.36 2zpyA1 TRP 175 HZ3 0.03 0.01 -0.02 -0.04 7.13 7.12 2zpyA1 TRP 175 HH2 0.03 -0.01 -0.02 -0.04 7.19 7.15 2zpyA1 HIS 176 H 0.18 0.58 -0.02 -0.55 8.41 8.60 2zpyA1 HIS 176 HA 0.07 0.04 0.34 -0.75 4.63 4.32 2zpyA1 HIS 176 HB2 0.08 0.03 0.08 -0.04 3.26 3.42 2zpyA1 HIS 176 HB3 -0.02 0.12 0.19 -0.04 3.20 3.44 2zpyA1 HIS 176 HD2 0.17 -0.07 0.01 -0.04 6.97 7.05 2zpyA1 HIS 176 HE1 -0.27 -0.00 -0.19 -0.04 7.75 7.24 2zpyA1 GLU 177 H -0.17 0.62 -0.18 -0.55 8.60 8.32 2zpyA1 GLU 177 HA -0.13 -0.07 0.44 -0.75 4.29 3.77 2zpyA1 GLU 177 HB2 -0.20 0.18 0.09 -0.04 2.09 2.12 2zpyA1 GLU 177 HB3 -0.12 -0.07 0.04 -0.04 1.99 1.81 2zpyA1 GLU 177 HG2 -1.11 -0.10 0.01 -0.04 2.34 1.10 2zpyA1 GLU 177 HG3 -0.68 0.25 0.04 -0.04 2.34 1.91 2zpyA1 GLU 178 H -0.14 0.43 -0.33 -0.55 8.60 8.02 2zpyA1 GLU 178 HA -0.01 0.02 0.50 -0.75 4.29 4.05 2zpyA1 GLU 178 HB2 -0.08 0.16 0.11 -0.04 2.09 2.24 2zpyA1 GLU 178 HB3 0.05 -0.08 0.14 -0.04 1.99 2.05 2zpyA1 GLU 178 HG2 -0.11 -0.08 0.05 -0.04 2.34 2.15 2zpyA1 GLU 178 HG3 -0.18 0.34 0.19 -0.04 2.34 2.65 2zpyA1 HIS 179 H 0.01 0.48 -0.40 -0.55 8.41 7.95 2zpyA1 HIS 179 HA 0.14 0.14 0.72 -0.75 4.63 4.88 2zpyA1 HIS 179 HB2 0.19 0.15 0.07 -0.04 3.26 3.63 2zpyA1 HIS 179 HB3 0.17 -0.12 0.11 -0.04 3.20 3.32 2zpyA1 HIS 179 HD2 -0.03 0.08 -0.17 -0.04 6.97 6.81 2zpyA1 HIS 179 HE1 -0.31 -0.05 -0.10 -0.04 7.75 7.25 2zpyA1 ARG 180 H 0.12 0.31 -0.28 -0.55 8.46 8.06 2zpyA1 ARG 180 HA 0.13 -0.09 0.39 -0.75 4.34 4.03 2zpyA1 ARG 180 HB2 0.07 -0.07 0.11 -0.04 1.90 1.97 2zpyA1 ARG 180 HB3 0.08 0.16 0.21 -0.04 1.80 2.20 2zpyA1 ARG 180 HG2 0.06 0.09 0.06 -0.04 1.67 1.84 2zpyA1 ARG 180 HG3 0.07 -0.02 -0.12 -0.04 1.67 1.56 2zpyA1 ARG 180 HD2 0.04 0.02 0.04 -0.04 3.22 3.29 2zpyA1 ARG 180 HD3 0.04 -0.03 -0.01 -0.04 3.22 3.17 2zpyA1 GLY 181 H 0.10 0.08 0.17 -0.55 8.43 8.24 2zpyA1 GLY 181 HA2 0.06 -0.05 0.35 -0.51 4.01 3.86 2zpyA1 GLY 181 HA3 0.07 0.17 0.71 -0.51 4.01 4.45 2zpyA1 MET 182 H 0.13 0.55 -0.16 -0.55 8.47 8.44 2zpyA1 MET 182 HA 0.07 -0.01 0.51 -0.75 4.52 4.33 2zpyA1 MET 182 HB2 0.14 0.13 0.06 -0.04 2.15 2.44 2zpyA1 MET 182 HB3 0.14 0.01 0.08 -0.04 2.03 2.22 2zpyA1 MET 182 HG2 0.04 0.01 -0.28 -0.04 2.63 2.37 2zpyA1 MET 182 HG3 0.05 -0.06 -0.07 -0.04 2.56 2.44 2zpyA1 MET 182 HE3 0.16 0.00 -0.03 -0.04 2.10 2.19 2zpyA1 LEU 183 H 0.03 0.11 0.20 -0.55 8.37 8.17 2zpyA1 LEU 183 HA 0.03 0.14 0.47 -0.75 4.35 4.24 2zpyA1 LEU 183 HB2 0.01 -0.07 0.17 -0.04 1.64 1.71 2zpyA1 LEU 183 HB3 0.01 -0.11 0.09 -0.04 1.64 1.59 2zpyA1 LEU 183 HG 0.01 0.01 0.08 -0.04 1.64 1.70 2zpyA1 LEU 183 HD13 0.02 0.02 0.05 -0.04 0.93 0.98 2zpyA1 LEU 183 HD23 0.03 0.04 0.10 -0.04 0.89 1.02 2zpyA1 ARG 184 H 0.01 0.20 0.19 -0.55 8.46 8.31 2zpyA1 ARG 184 HA -0.02 0.19 0.40 -0.75 4.34 4.15 2zpyA1 ARG 184 HB2 -0.00 0.15 0.20 -0.04 1.90 2.21 2zpyA1 ARG 184 HB3 -0.02 -0.14 0.19 -0.04 1.80 1.79 2zpyA1 ARG 184 HG2 -0.08 -0.10 -0.25 -0.04 1.67 1.19 2zpyA1 ARG 184 HG3 -0.05 0.33 0.11 -0.04 1.67 2.01 2zpyA1 ARG 184 HD2 -0.01 0.06 0.05 -0.04 3.22 3.27 2zpyA1 ARG 184 HD3 -0.02 -0.11 0.00 -0.04 3.22 3.05 2zpyA1 GLU 185 H -0.03 0.09 -0.11 -0.55 8.60 8.00 2zpyA1 GLU 185 HA -0.09 0.10 0.43 -0.75 4.29 3.98 2zpyA1 GLU 185 HB2 -0.02 -0.00 0.03 -0.04 2.09 2.05 2zpyA1 GLU 185 HB3 -0.02 0.05 0.01 -0.04 1.99 1.99 2zpyA1 GLU 185 HG2 -0.01 0.01 0.05 -0.04 2.34 2.35 2zpyA1 GLU 185 HG3 -0.03 0.04 0.03 -0.04 2.34 2.34 2zpyA1 ASP 186 H -0.03 0.07 -0.31 -0.55 8.40 7.59 2zpyA1 ASP 186 HA -0.05 0.07 0.48 -0.75 4.63 4.37 2zpyA1 ASP 186 HB2 -0.01 0.06 0.13 -0.04 2.71 2.85 2zpyA1 ASP 186 HB3 -0.02 0.04 0.02 -0.04 2.70 2.70 2zpyA1 SER 187 H -0.05 0.63 -0.23 -0.55 8.46 8.26 2zpyA1 SER 187 HA -0.04 0.02 0.37 -0.75 4.49 4.08 2zpyA1 SER 187 HB2 -0.08 0.13 0.08 -0.04 3.95 4.05 2zpyA1 SER 187 HB3 0.06 0.08 0.02 -0.04 3.93 4.05 2zpyA1 MET 188 H -0.21 0.43 -0.18 -0.55 8.47 7.96 2zpyA1 MET 188 HA -0.56 0.04 0.38 -0.75 4.52 3.63 2zpyA1 MET 188 HB2 -0.23 0.10 0.11 -0.04 2.15 2.09 2zpyA1 MET 188 HB3 -0.32 -0.04 -0.05 -0.04 2.03 1.59 2zpyA1 MET 188 HG2 -1.91 -0.01 0.00 -0.04 2.63 0.67 2zpyA1 MET 188 HG3 -0.52 0.21 0.06 -0.04 2.56 2.28 2zpyA1 MET 188 HE3 -0.11 0.02 -0.15 -0.04 2.10 1.82 2zpyA1 MET 189 H -0.10 0.42 -0.27 -0.55 8.47 7.97 2zpyA1 MET 189 HA -0.01 0.00 0.45 -0.75 4.52 4.20 2zpyA1 MET 189 HB2 -0.07 0.11 0.15 -0.04 2.15 2.29 2zpyA1 MET 189 HB3 -0.06 -0.05 -0.02 -0.04 2.03 1.86 2zpyA1 MET 189 HG2 -0.03 0.09 0.03 -0.04 2.63 2.68 2zpyA1 MET 189 HG3 -0.02 0.02 -0.01 -0.04 2.56 2.51 2zpyA1 MET 189 HE3 -0.02 0.03 -0.15 -0.04 2.10 1.91 2zpyA1 GLU 190 H -0.21 0.53 -0.20 -0.55 8.60 8.18 2zpyA1 GLU 190 HA -0.29 0.00 0.43 -0.75 4.29 3.68 2zpyA1 GLU 190 HB2 -0.86 0.15 0.17 -0.04 2.09 1.51 2zpyA1 GLU 190 HB3 -1.42 -0.03 -0.02 -0.04 1.99 0.47 2zpyA1 GLU 190 HG2 -0.23 0.19 0.05 -0.04 2.34 2.31 2zpyA1 GLU 190 HG3 -0.31 -0.01 -0.01 -0.04 2.34 1.97 2zpyA1 TYR 191 H -0.10 0.51 -0.22 -0.55 8.29 7.93 2zpyA1 TYR 191 HA -0.04 0.01 0.40 -0.75 4.56 4.17 2zpyA1 TYR 191 HB2 0.17 0.06 0.10 -0.04 3.06 3.35 2zpyA1 TYR 191 HB3 0.23 0.20 0.19 -0.04 2.98 3.56 2zpyA1 TYR 191 HD2 0.22 0.04 -0.11 -0.04 7.15 7.26 2zpyA1 TYR 191 HE2 0.02 0.01 -0.17 -0.04 6.85 6.66 2zpyA1 LEU 192 H 0.19 0.50 -0.16 -0.55 8.37 8.35 2zpyA1 LEU 192 HA 0.14 -0.01 0.36 -0.75 4.35 4.09 2zpyA1 LEU 192 HB2 0.05 0.10 0.16 -0.04 1.64 1.91 2zpyA1 LEU 192 HB3 0.05 -0.08 -0.01 -0.04 1.64 1.56 2zpyA1 LEU 192 HG 0.36 0.15 0.08 -0.04 1.64 2.18 2zpyA1 LEU 192 HD13 0.16 -0.02 -0.03 -0.04 0.93 0.99 2zpyA1 LEU 192 HD23 0.35 -0.01 -0.16 -0.04 0.89 1.03 2zpyA1 LYS 193 H -0.10 0.61 -0.17 -0.55 8.42 8.21 2zpyA1 LYS 193 HA -0.12 -0.06 0.43 -0.75 4.32 3.82 2zpyA1 LYS 193 HB2 -0.15 0.13 0.16 -0.04 1.87 1.96 2zpyA1 LYS 193 HB3 -0.11 -0.03 0.02 -0.04 1.79 1.63 2zpyA1 LYS 193 HG2 -0.07 -0.12 0.03 -0.04 1.46 1.26 2zpyA1 LYS 193 HG3 -0.08 0.08 0.05 -0.04 1.46 1.47 2zpyA1 LYS 193 HD2 -0.07 -0.06 -0.07 -0.04 1.69 1.45 2zpyA1 LYS 193 HD3 -0.12 0.02 -0.15 -0.04 1.68 1.38 2zpyA1 LYS 193 HE2 -0.09 0.04 -0.02 -0.04 2.99 2.88 2zpyA1 LYS 193 HE3 -0.06 -0.04 -0.02 -0.04 2.99 2.84 2zpyA1 ILE 194 H -0.18 0.46 -0.30 -0.55 8.25 7.67 2zpyA1 ILE 194 HA -0.14 0.05 0.50 -0.75 4.18 3.83 2zpyA1 ILE 194 HB -0.24 0.18 0.21 -0.04 1.89 1.99 2zpyA1 ILE 194 HG12 -0.12 -0.06 -0.01 -0.04 1.49 1.27 2zpyA1 ILE 194 HG13 -0.18 0.08 0.02 -0.04 1.21 1.09 2zpyA1 ILE 194 HG23 -0.17 -0.03 -0.13 -0.04 0.93 0.56 2zpyA1 ILE 194 HD13 -0.04 -0.02 -0.08 -0.04 0.88 0.69 2zpyA1 ALA 195 H -0.24 0.66 0.11 -0.55 8.40 8.38 2zpyA1 ALA 195 HA -0.19 -0.01 0.36 -0.75 4.34 3.75 2zpyA1 ALA 195 HB3 -0.09 -0.01 0.04 -0.04 1.41 1.31 2zpyA1 GLN 196 H -0.39 0.63 -0.31 -0.55 8.47 7.85 2zpyA1 GLN 196 HA -2.07 0.01 0.32 -0.75 4.36 1.87 2zpyA1 GLN 196 HB2 -0.49 0.00 0.07 -0.04 2.15 1.69 2zpyA1 GLN 196 HB3 -0.54 0.00 0.08 -0.04 2.02 1.53 2zpyA1 GLN 196 HG2 -0.22 0.26 0.05 -0.04 2.40 2.45 2zpyA1 GLN 196 HG3 -0.18 0.04 -0.25 -0.04 2.39 1.95 2zpyA1 GLN 196 HE21 -0.06 -0.27 0.05 -0.04 6.97 6.65 2zpyA1 GLN 196 HE22 -0.09 0.18 0.07 -0.04 7.69 7.81 2zpyA1 ASP 197 H -0.22 0.42 -0.57 -0.55 8.40 7.48 2zpyA1 ASP 197 HA -0.08 0.16 0.78 -0.75 4.63 4.74 2zpyA1 ASP 197 HB2 -0.10 0.13 0.10 -0.04 2.71 2.80 2zpyA1 ASP 197 HB3 -0.05 -0.11 0.12 -0.04 2.70 2.62 2zpyA1 LEU 198 H -0.13 0.45 -0.18 -0.55 8.37 7.97 2zpyA1 LEU 198 HA -0.02 -0.02 0.56 -0.75 4.35 4.11 2zpyA1 LEU 198 HB2 0.02 0.12 0.15 -0.04 1.64 1.89 2zpyA1 LEU 198 HB3 -0.00 -0.05 0.06 -0.04 1.64 1.61 2zpyA1 LEU 198 HG -0.11 0.08 0.08 -0.04 1.64 1.65 2zpyA1 LEU 198 HD13 -0.09 0.02 -0.02 -0.04 0.93 0.80 2zpyA1 LEU 198 HD23 -0.10 -0.00 0.05 -0.04 0.89 0.80 2zpyA1 GLU 199 H 0.05 0.06 0.18 -0.55 8.60 8.35 2zpyA1 GLU 199 HA 0.06 0.13 0.34 -0.75 4.29 4.07 2zpyA1 GLU 199 HB2 0.09 -0.14 0.13 -0.04 2.09 2.13 2zpyA1 GLU 199 HB3 0.09 0.27 0.12 -0.04 1.99 2.43 2zpyA1 GLU 199 HG2 0.07 0.00 -0.00 -0.04 2.34 2.36 2zpyA1 GLU 199 HG3 0.05 0.06 0.08 -0.04 2.34 2.50 2zpyA1 MET 200 H 0.06 0.00 -0.17 -0.55 8.47 7.82 2zpyA1 MET 200 HA 0.09 0.23 0.60 -0.75 4.52 4.68 2zpyA1 MET 200 HB2 0.01 -0.10 0.05 -0.04 2.15 2.07 2zpyA1 MET 200 HB3 0.04 0.07 0.16 -0.04 2.03 2.26 2zpyA1 MET 200 HG2 -0.03 0.25 -0.09 -0.04 2.63 2.71 2zpyA1 MET 200 HG3 0.04 -0.10 -0.02 -0.04 2.56 2.44 2zpyA1 MET 200 HE3 -0.56 0.05 0.02 -0.04 2.10 1.57 2zpyA1 TYR 201 H 0.11 0.38 -0.52 -0.55 8.29 7.72 2zpyA1 TYR 201 HA -0.16 -0.06 0.45 -0.75 4.56 4.03 2zpyA1 TYR 201 HB2 -0.08 0.01 0.08 -0.04 3.06 3.03 2zpyA1 TYR 201 HB3 -0.07 0.28 0.04 -0.04 2.98 3.19 2zpyA1 TYR 201 HD2 -0.07 0.03 -0.21 -0.04 7.15 6.87 2zpyA1 TYR 201 HE2 0.10 0.00 -0.10 -0.04 6.85 6.81 2zpyA1 GLY 202 H -1.07 0.08 0.12 -0.55 8.43 7.01 2zpyA1 GLY 202 HA2 -1.55 -0.03 0.26 -0.51 4.01 2.18 2zpyA1 GLY 202 HA3 -0.62 0.04 0.34 -0.51 4.01 3.25 2zpyA1 VAL 203 H -0.29 0.31 -0.36 -0.55 8.24 7.35 2zpyA1 VAL 203 HA -0.20 0.24 0.93 -0.75 4.13 4.34 2zpyA1 VAL 203 HB -0.45 0.03 -0.05 -0.04 2.12 1.61 2zpyA1 VAL 203 HG13 -0.87 -0.04 -0.31 -0.04 0.97 -0.29 2zpyA1 VAL 203 HG23 -0.11 0.06 -0.28 -0.04 0.95 0.58 2zpyA1 ASN 204 H -0.16 0.63 0.29 -0.55 8.53 8.74 2zpyA1 ASN 204 HA -0.19 0.10 0.79 -0.75 4.76 4.71 2zpyA1 ASN 204 HB2 0.11 -0.05 0.24 -0.04 2.88 3.13 2zpyA1 ASN 204 HB3 -0.13 -0.03 0.04 -0.04 2.79 2.63 2zpyA1 ASN 204 HD21 0.13 0.02 -0.02 -0.04 7.03 7.12 2zpyA1 ASN 204 HD22 0.11 0.30 0.12 -0.04 7.74 8.22 2zpyA1 TYR 205 H -0.15 0.18 0.13 -0.55 8.29 7.90 2zpyA1 TYR 205 HA -0.08 0.39 0.99 -0.75 4.56 5.11 2zpyA1 TYR 205 HB2 -0.40 -0.02 0.07 -0.04 3.06 2.66 2zpyA1 TYR 205 HB3 -0.23 -0.04 -0.08 -0.04 2.98 2.59 2zpyA1 TYR 205 HD2 -0.42 -0.01 -0.11 -0.04 7.15 6.57 2zpyA1 TYR 205 HE2 -0.96 0.06 -0.05 -0.04 6.85 5.85 2zpyA1 PHE 206 H 0.45 0.51 0.35 -0.55 8.34 9.10 2zpyA1 PHE 206 HA 0.25 0.14 0.92 -0.75 4.62 5.17 2zpyA1 PHE 206 HB2 0.03 -0.05 0.03 -0.04 3.15 3.11 2zpyA1 PHE 206 HB3 0.01 0.00 -0.01 -0.04 3.06 3.03 2zpyA1 PHE 206 HD2 0.02 0.03 -0.09 -0.04 7.28 7.19 2zpyA1 PHE 206 HE2 0.02 0.00 -0.10 -0.04 7.38 7.26 2zpyA1 PHE 206 HZ 0.04 0.02 -0.16 -0.04 7.32 7.18 2zpyA1 GLU 207 H 0.12 0.12 0.19 -0.55 8.60 8.48 2zpyA1 GLU 207 HA -0.54 0.22 0.77 -0.75 4.29 3.97 2zpyA1 GLU 207 HB2 -0.15 -0.07 0.21 -0.04 2.09 2.03 2zpyA1 GLU 207 HB3 -0.35 0.06 0.11 -0.04 1.99 1.76 2zpyA1 GLU 207 HG2 -1.93 0.06 0.03 -0.04 2.34 0.46 2zpyA1 GLU 207 HG3 -0.27 -0.03 0.08 -0.04 2.34 2.08 2zpyA1 ILE 208 H -0.13 0.67 0.38 -0.55 8.25 8.63 2zpyA1 ILE 208 HA 0.02 0.22 0.84 -0.75 4.18 4.51 2zpyA1 ILE 208 HB 0.15 -0.03 0.04 -0.04 1.89 2.01 2zpyA1 ILE 208 HG12 0.09 0.00 -0.36 -0.04 1.49 1.18 2zpyA1 ILE 208 HG13 0.11 -0.07 -0.47 -0.04 1.21 0.75 2zpyA1 ILE 208 HG23 0.01 -0.02 -0.38 -0.04 0.93 0.51 2zpyA1 ILE 208 HD13 0.03 0.00 -0.26 -0.04 0.88 0.61 2zpyA1 LYS 209 H 0.18 0.46 0.36 -0.55 8.42 8.86 2zpyA1 LYS 209 HA 0.08 0.42 0.90 -0.75 4.32 4.97 2zpyA1 LYS 209 HB2 0.10 -0.04 0.02 -0.04 1.87 1.91 2zpyA1 LYS 209 HB3 0.03 -0.05 -0.06 -0.04 1.79 1.67 2zpyA1 LYS 209 HG2 -0.05 0.05 -0.23 -0.04 1.46 1.18 2zpyA1 LYS 209 HG3 -0.02 -0.06 -0.43 -0.04 1.46 0.91 2zpyA1 LYS 209 HD2 -0.03 -0.03 -0.10 -0.04 1.69 1.49 2zpyA1 LYS 209 HD3 -0.05 0.04 -0.07 -0.04 1.68 1.55 2zpyA1 LYS 209 HE2 -0.06 -0.03 -0.09 -0.04 2.99 2.76 2zpyA1 LYS 209 HE3 -0.06 -0.02 -0.05 -0.04 2.99 2.82 2zpyA1 ASN 210 H 0.13 0.28 0.18 -0.55 8.53 8.58 2zpyA1 ASN 210 HA 0.13 0.29 0.90 -0.75 4.76 5.33 2zpyA1 ASN 210 HB2 0.01 0.00 0.24 -0.04 2.88 3.09 2zpyA1 ASN 210 HB3 0.23 0.10 0.08 -0.04 2.79 3.15 2zpyA1 ASN 210 HD21 0.08 0.01 0.00 -0.04 7.03 7.07 2zpyA1 ASN 210 HD22 0.13 0.10 0.00 -0.04 7.74 7.93 2zpyA1 LYS 211 H 0.00 0.26 0.18 -0.55 8.42 8.31 2zpyA1 LYS 211 HA 0.13 0.11 0.35 -0.75 4.32 4.15 2zpyA1 LYS 211 HB2 -0.01 -0.00 0.11 -0.04 1.87 1.92 2zpyA1 LYS 211 HB3 0.01 0.04 0.07 -0.04 1.79 1.87 2zpyA1 LYS 211 HG2 0.21 0.01 0.02 -0.04 1.46 1.65 2zpyA1 LYS 211 HG3 -0.02 0.04 0.09 -0.04 1.46 1.53 2zpyA1 LYS 211 HD2 -0.00 0.01 0.02 -0.04 1.69 1.68 2zpyA1 LYS 211 HD3 -0.03 -0.00 0.01 -0.04 1.68 1.61 2zpyA1 LYS 211 HE2 -0.14 -0.01 0.08 -0.04 2.99 2.89 2zpyA1 LYS 211 HE3 -0.06 -0.01 0.03 -0.04 2.99 2.90 2zpyA1 LYS 212 H 0.02 -0.01 -0.42 -0.55 8.42 7.45 2zpyA1 LYS 212 HA -0.02 0.22 0.68 -0.75 4.32 4.45 2zpyA1 LYS 212 HB2 0.01 -0.08 0.02 -0.04 1.87 1.78 2zpyA1 LYS 212 HB3 -0.00 0.06 0.13 -0.04 1.79 1.94 2zpyA1 LYS 212 HG2 0.01 -0.07 -0.00 -0.04 1.46 1.35 2zpyA1 LYS 212 HG3 0.01 0.05 0.01 -0.04 1.46 1.48 2zpyA1 LYS 212 HD2 -0.01 0.04 -0.03 -0.04 1.69 1.65 2zpyA1 LYS 212 HD3 -0.01 0.05 -0.42 -0.04 1.68 1.26 2zpyA1 LYS 212 HE2 -0.02 -0.05 -0.05 -0.04 2.99 2.82 2zpyA1 LYS 212 HE3 -0.01 0.02 -0.03 -0.04 2.99 2.93 2zpyA1 GLY 213 H -0.01 0.58 -0.31 -0.55 8.43 8.14 2zpyA1 GLY 213 HA2 -0.05 0.06 0.25 -0.51 4.01 3.77 2zpyA1 GLY 213 HA3 -0.05 0.10 0.44 -0.51 4.01 3.99 2zpyA1 THR 214 H 0.02 -0.11 -0.34 -0.55 8.28 7.30 2zpyA1 THR 214 HA -0.01 0.11 0.49 -0.75 4.39 4.23 2zpyA1 THR 214 HB 0.07 -0.11 0.02 -0.04 4.32 4.26 2zpyA1 THR 214 HG23 0.04 0.06 -0.02 -0.04 1.22 1.26 2zpyA1 GLU 215 H -0.08 0.10 0.24 -0.55 8.60 8.32 2zpyA1 GLU 215 HA -0.12 0.25 0.78 -0.75 4.29 4.45 2zpyA1 GLU 215 HB2 -0.35 -0.08 0.24 -0.04 2.09 1.86 2zpyA1 GLU 215 HB3 -0.78 0.02 0.05 -0.04 1.99 1.24 2zpyA1 GLU 215 HG2 -0.27 0.09 0.07 -0.04 2.34 2.19 2zpyA1 GLU 215 HG3 -0.21 0.02 0.07 -0.04 2.34 2.18 2zpyA1 LEU 216 H -0.06 0.83 0.45 -0.55 8.37 9.04 2zpyA1 LEU 216 HA 0.17 0.03 0.77 -0.75 4.35 4.56 2zpyA1 LEU 216 HB2 0.17 -0.06 -0.17 -0.04 1.64 1.54 2zpyA1 LEU 216 HB3 0.22 0.18 0.17 -0.04 1.64 2.17 2zpyA1 LEU 216 HG 0.12 -0.03 -0.80 -0.04 1.64 0.89 2zpyA1 LEU 216 HD13 0.29 -0.03 -0.16 -0.04 0.93 0.98 2zpyA1 LEU 216 HD23 0.17 -0.03 -0.04 -0.04 0.89 0.95 2zpyA1 TRP 217 H 0.41 0.55 0.24 -0.55 7.97 8.63 2zpyA1 TRP 217 HA 0.17 0.28 0.98 -0.75 4.62 5.30 2zpyA1 TRP 217 HB2 0.22 -0.06 -0.07 -0.04 3.23 3.28 2zpyA1 TRP 217 HB3 0.21 0.03 -0.13 -0.04 3.23 3.30 2zpyA1 TRP 217 HD1 0.03 0.05 -0.46 -0.04 7.22 6.80 2zpyA1 TRP 217 HE1 -0.49 0.37 0.01 -0.04 10.20 10.04 2zpyA1 TRP 217 HE3 0.07 -0.04 -0.42 -0.04 7.59 7.15 2zpyA1 TRP 217 HZ2 -0.23 0.01 -0.04 -0.04 7.44 7.14 2zpyA1 TRP 217 HZ3 -0.03 0.01 -0.17 -0.04 7.13 6.90 2zpyA1 TRP 217 HH2 -0.07 -0.01 -0.04 -0.04 7.19 7.04 2zpyA1 LEU 218 H 0.39 0.74 0.36 -0.55 8.37 9.31 2zpyA1 LEU 218 HA 0.13 0.19 0.91 -0.75 4.35 4.82 2zpyA1 LEU 218 HB2 0.03 -0.04 -0.04 -0.04 1.64 1.55 2zpyA1 LEU 218 HB3 0.22 -0.05 0.07 -0.04 1.64 1.83 2zpyA1 LEU 218 HG -0.18 -0.03 -0.09 -0.04 1.64 1.29 2zpyA1 LEU 218 HD13 -0.27 -0.01 -0.17 -0.04 0.93 0.44 2zpyA1 LEU 218 HD23 0.02 0.01 -0.15 -0.04 0.89 0.73 2zpyA1 GLY 219 H 0.19 0.78 0.37 -0.55 8.43 9.22 2zpyA1 GLY 219 HA2 -0.11 0.35 0.99 -0.51 4.01 4.74 2zpyA1 GLY 219 HA3 0.16 -0.01 0.24 -0.51 4.01 3.89 2zpyA1 VAL 220 H -0.01 0.60 0.30 -0.55 8.24 8.57 2zpyA1 VAL 220 HA 0.03 0.23 1.07 -0.75 4.13 4.72 2zpyA1 VAL 220 HB 0.25 -0.03 0.15 -0.04 2.12 2.45 2zpyA1 VAL 220 HG13 0.24 -0.01 -0.21 -0.04 0.97 0.96 2zpyA1 VAL 220 HG23 0.16 -0.01 -0.17 -0.04 0.95 0.89 2zpyA1 ASP 221 H -0.02 0.62 0.28 -0.55 8.40 8.74 2zpyA1 ASP 221 HA 0.11 0.28 0.81 -0.75 4.63 5.08 2zpyA1 ASP 221 HB2 0.04 0.02 0.16 -0.04 2.71 2.88 2zpyA1 ASP 221 HB3 -0.05 0.03 -0.16 -0.04 2.70 2.48 2zpyA1 ALA 222 H 0.19 0.27 0.17 -0.55 8.40 8.48 2zpyA1 ALA 222 HA 0.37 0.06 0.41 -0.75 4.34 4.43 2zpyA1 ALA 222 HB3 0.28 0.03 0.08 -0.04 1.41 1.76 2zpyA1 LEU 223 H 0.04 0.07 -0.33 -0.55 8.37 7.59 2zpyA1 LEU 223 HA -0.01 0.22 0.84 -0.75 4.35 4.65 2zpyA1 LEU 223 HB2 -0.10 0.03 -0.04 -0.04 1.64 1.48 2zpyA1 LEU 223 HB3 -0.10 -0.06 0.13 -0.04 1.64 1.57 2zpyA1 LEU 223 HG 0.12 -0.03 -0.08 -0.04 1.64 1.60 2zpyA1 LEU 223 HD13 0.05 0.01 -0.02 -0.04 0.93 0.94 2zpyA1 LEU 223 HD23 0.31 0.03 -0.09 -0.04 0.89 1.09 2zpyA1 GLY 224 H -0.49 0.49 -0.15 -0.55 8.43 7.73 2zpyA1 GLY 224 HA2 -3.45 0.04 0.28 -0.51 4.01 0.37 2zpyA1 GLY 224 HA3 -1.26 0.14 0.90 -0.51 4.01 3.28 2zpyA1 LEU 225 H -0.43 0.45 0.16 -0.55 8.37 8.00 2zpyA1 LEU 225 HA -0.13 0.38 1.12 -0.75 4.35 4.97 2zpyA1 LEU 225 HB2 -0.09 -0.04 -0.02 -0.04 1.64 1.45 2zpyA1 LEU 225 HB3 -0.06 0.04 0.07 -0.04 1.64 1.64 2zpyA1 LEU 225 HG -0.15 0.01 -0.06 -0.04 1.64 1.39 2zpyA1 LEU 225 HD13 0.08 -0.01 -0.11 -0.04 0.93 0.85 2zpyA1 LEU 225 HD23 0.05 0.02 -0.24 -0.04 0.89 0.67 2zpyA1 ASN 226 H -0.01 0.60 0.37 -0.55 8.53 8.95 2zpyA1 ASN 226 HA -0.06 0.19 0.91 -0.75 4.76 5.05 2zpyA1 ASN 226 HB2 -0.10 -0.02 -0.05 -0.04 2.88 2.67 2zpyA1 ASN 226 HB3 -0.53 0.01 -0.03 -0.04 2.79 2.20 2zpyA1 ASN 226 HD21 -0.12 -0.01 -0.29 -0.04 7.03 6.57 2zpyA1 ASN 226 HD22 -0.05 0.02 -0.30 -0.04 7.74 7.36 2zpyA1 ILE 227 H -0.13 0.62 0.35 -0.55 8.25 8.54 2zpyA1 ILE 227 HA 0.06 0.30 1.06 -0.75 4.18 4.84 2zpyA1 ILE 227 HB 0.08 -0.09 0.15 -0.04 1.89 1.99 2zpyA1 ILE 227 HG12 0.11 -0.02 -0.23 -0.04 1.49 1.31 2zpyA1 ILE 227 HG13 0.14 -0.00 -0.11 -0.04 1.21 1.20 2zpyA1 ILE 227 HG23 0.19 -0.00 -0.13 -0.04 0.93 0.95 2zpyA1 ILE 227 HD13 -0.71 0.03 -0.12 -0.04 0.88 0.04 2zpyA1 TYR 228 H 0.42 0.73 0.33 -0.55 8.29 9.22 2zpyA1 TYR 228 HA 0.13 0.08 1.03 -0.75 4.56 5.03 2zpyA1 TYR 228 HB2 0.34 -0.09 -0.06 -0.04 3.06 3.21 2zpyA1 TYR 228 HB3 0.16 0.36 0.02 -0.04 2.98 3.49 2zpyA1 TYR 228 HD2 0.14 0.08 -0.44 -0.04 7.15 6.89 2zpyA1 TYR 228 HE2 -0.01 0.04 -0.40 -0.04 6.85 6.43 2zpyA1 GLU 229 H 0.23 0.25 0.20 -0.55 8.60 8.73 2zpyA1 GLU 229 HA 0.21 0.10 0.60 -0.75 4.29 4.45 2zpyA1 GLU 229 HB2 0.15 0.02 0.13 -0.04 2.09 2.35 2zpyA1 GLU 229 HB3 0.15 -0.05 0.09 -0.04 1.99 2.14 2zpyA1 GLU 229 HG2 0.12 0.01 0.05 -0.04 2.34 2.48 2zpyA1 GLU 229 HG3 0.12 0.02 0.08 -0.04 2.34 2.51 2zpyA1 HIS 230 H 0.27 0.30 0.23 -0.55 8.41 8.67 2zpyA1 HIS 230 HA 0.34 0.07 0.13 -0.75 4.63 4.41 2zpyA1 HIS 230 HB2 0.01 0.36 0.02 -0.04 3.26 3.60 2zpyA1 HIS 230 HB3 0.07 -0.06 0.03 -0.04 3.20 3.20 2zpyA1 HIS 230 HD2 0.04 -0.02 -0.09 -0.04 6.97 6.86 2zpyA1 HIS 230 HE1 -0.52 -0.01 -0.01 -0.04 7.75 7.17 2zpyA1 ASP 231 H 0.18 0.03 -0.33 -0.55 8.40 7.73 2zpyA1 ASP 231 HA 0.02 0.23 0.78 -0.75 4.63 4.92 2zpyA1 ASP 231 HB2 0.03 0.02 0.15 -0.04 2.71 2.86 2zpyA1 ASP 231 HB3 0.09 0.00 0.00 -0.04 2.70 2.75 2zpyA1 ASP 232 H 0.13 0.59 -0.39 -0.55 8.40 8.19 2zpyA1 ASP 232 HA -0.05 0.10 0.76 -0.75 4.63 4.68 2zpyA1 ASP 232 HB2 0.03 0.07 -0.14 -0.04 2.71 2.63 2zpyA1 ASP 232 HB3 0.09 -0.04 0.10 -0.04 2.70 2.81 2zpyA1 LYS 233 H -0.22 0.19 -0.03 -0.55 8.42 7.80 2zpyA1 LYS 233 HA -0.27 0.19 0.55 -0.75 4.32 4.03 2zpyA1 LYS 233 HB2 -0.63 -0.00 -0.02 -0.04 1.87 1.17 2zpyA1 LYS 233 HB3 -1.23 0.05 0.05 -0.04 1.79 0.62 2zpyA1 LYS 233 HG2 -1.36 0.01 -0.18 -0.04 1.46 -0.10 2zpyA1 LYS 233 HG3 -0.59 -0.06 -0.23 -0.04 1.46 0.53 2zpyA1 LYS 233 HD2 -1.15 0.04 -0.08 -0.04 1.69 0.46 2zpyA1 LYS 233 HD3 -0.87 0.00 -0.05 -0.04 1.68 0.72 2zpyA1 LYS 233 HE2 -2.12 0.03 -0.05 -0.04 2.99 0.81 2zpyA1 LYS 233 HE3 -2.66 -0.04 -0.10 -0.04 2.99 0.15 2zpyA1 LEU 234 H -0.01 -0.03 -0.35 -0.55 8.37 7.44 2zpyA1 LEU 234 HA 0.05 0.18 0.63 -0.75 4.35 4.47 2zpyA1 LEU 234 HB2 -0.01 -0.05 0.06 -0.04 1.64 1.59 2zpyA1 LEU 234 HB3 0.03 0.04 -0.08 -0.04 1.64 1.59 2zpyA1 LEU 234 HG 0.01 -0.00 -0.04 -0.04 1.64 1.56 2zpyA1 LEU 234 HD13 -0.20 -0.01 -0.14 -0.04 0.93 0.54 2zpyA1 LEU 234 HD23 -0.18 0.00 -0.03 -0.04 0.89 0.65 2zpyA1 THR 235 H 0.12 0.03 -0.07 -0.55 8.28 7.80 2zpyA1 THR 235 HA 0.08 0.28 0.91 -0.75 4.39 4.91 2zpyA1 THR 235 HB 0.04 -0.07 0.08 -0.04 4.32 4.34 2zpyA1 THR 235 HG23 0.00 0.07 -0.10 -0.04 1.22 1.15 2zpyA1 PRO 236 HA -0.66 0.05 0.32 -0.51 4.44 3.64 2zpyA1 PRO 236 HB2 -0.21 -0.03 -0.17 -0.04 2.28 1.83 2zpyA1 PRO 236 HB3 -0.42 0.04 -0.05 -0.04 2.02 1.54 2zpyA1 PRO 236 HG2 -0.15 0.02 -0.05 -0.04 2.03 1.81 2zpyA1 PRO 236 HG3 -0.40 0.07 -0.11 -0.04 2.03 1.54 2zpyA1 PRO 236 HD2 -0.05 0.06 0.12 -0.04 3.68 3.77 2zpyA1 PRO 236 HD3 0.06 0.35 0.15 -0.04 3.65 4.18 2zpyA1 LYS 237 H -0.16 1.00 0.57 -0.55 8.42 9.28 2zpyA1 LYS 237 HA -0.00 0.07 0.64 -0.75 4.32 4.27 2zpyA1 LYS 237 HB2 0.07 -0.13 0.06 -0.04 1.87 1.83 2zpyA1 LYS 237 HB3 0.05 0.01 0.01 -0.04 1.79 1.82 2zpyA1 LYS 237 HG2 0.06 0.02 -0.06 -0.04 1.46 1.44 2zpyA1 LYS 237 HG3 0.06 -0.01 0.06 -0.04 1.46 1.52 2zpyA1 LYS 237 HD2 0.10 -0.02 -0.04 -0.04 1.69 1.69 2zpyA1 LYS 237 HD3 0.13 -0.05 -0.10 -0.04 1.68 1.62 2zpyA1 LYS 237 HE2 0.18 0.02 -0.15 -0.04 2.99 2.99 2zpyA1 LYS 237 HE3 0.16 0.02 -0.11 -0.04 2.99 3.02 2zpyA1 ILE 238 H -0.13 0.29 0.26 -0.55 8.25 8.12 2zpyA1 ILE 238 HA -0.17 0.15 0.61 -0.75 4.18 4.01 2zpyA1 ILE 238 HB -0.06 0.09 -0.07 -0.04 1.89 1.81 2zpyA1 ILE 238 HG12 -0.99 0.03 -0.34 -0.04 1.49 0.14 2zpyA1 ILE 238 HG13 -0.48 -0.01 0.10 -0.04 1.21 0.77 2zpyA1 ILE 238 HG23 0.12 -0.04 -0.06 -0.04 0.93 0.91 2zpyA1 ILE 238 HD13 -0.41 -0.00 -0.05 -0.04 0.88 0.37 2zpyA1 GLY 239 H -0.36 0.20 0.15 -0.55 8.43 7.87 2zpyA1 GLY 239 HA2 -0.24 0.19 1.06 -0.51 4.01 4.50 2zpyA1 GLY 239 HA3 -0.25 0.02 0.30 -0.51 4.01 3.57 2zpyA1 PHE 240 H -0.11 0.60 0.19 -0.55 8.34 8.47 2zpyA1 PHE 240 HA -0.18 0.17 0.83 -0.75 4.62 4.69 2zpyA1 PHE 240 HB2 -0.22 0.00 0.10 -0.04 3.15 3.00 2zpyA1 PHE 240 HB3 -0.17 -0.00 0.06 -0.04 3.06 2.91 2zpyA1 PHE 240 HD2 -0.21 0.02 -0.24 -0.04 7.28 6.81 2zpyA1 PHE 240 HE2 -0.57 -0.00 -0.14 -0.04 7.38 6.63 2zpyA1 PHE 240 HZ -1.19 -0.03 -0.10 -0.04 7.32 5.96 2zpyA1 PRO 241 HA -0.40 0.30 0.59 -0.51 4.44 4.42 2zpyA1 PRO 241 HB2 -0.06 -0.10 0.04 -0.04 2.28 2.12 2zpyA1 PRO 241 HB3 -0.11 0.09 0.14 -0.04 2.02 2.10 2zpyA1 PRO 241 HG2 -0.09 0.04 0.02 -0.04 2.03 1.95 2zpyA1 PRO 241 HG3 -0.15 0.07 0.01 -0.04 2.03 1.93 2zpyA1 PRO 241 HD2 -0.13 0.11 0.03 -0.04 3.68 3.65 2zpyA1 PRO 241 HD3 -0.20 0.03 -0.36 -0.04 3.65 3.08 2zpyA1 TRP 242 H -0.55 0.42 0.28 -0.55 7.97 7.57 2zpyA1 TRP 242 HA -0.11 0.08 0.41 -0.75 4.62 4.24 2zpyA1 TRP 242 HB2 -0.27 -0.05 0.11 -0.04 3.23 2.99 2zpyA1 TRP 242 HB3 0.03 0.04 0.04 -0.04 3.23 3.30 2zpyA1 TRP 242 HD1 -1.94 -0.02 0.05 -0.04 7.22 5.27 2zpyA1 TRP 242 HE1 -0.16 0.55 -0.04 -0.04 10.20 10.51 2zpyA1 TRP 242 HE3 -0.21 0.01 0.02 -0.04 7.59 7.37 2zpyA1 TRP 242 HZ2 0.05 0.12 -0.08 -0.04 7.44 7.48 2zpyA1 TRP 242 HZ3 -0.08 -0.04 -0.05 -0.04 7.13 6.93 2zpyA1 TRP 242 HH2 0.03 -0.03 0.03 -0.04 7.19 7.18 2zpyA1 SER 243 H 0.14 0.06 -0.22 -0.55 8.46 7.89 2zpyA1 SER 243 HA 0.16 0.13 0.36 -0.75 4.49 4.38 2zpyA1 SER 243 HB2 0.10 0.01 0.06 -0.04 3.95 4.08 2zpyA1 SER 243 HB3 0.17 0.01 0.07 -0.04 3.93 4.14 2zpyA1 GLU 244 H 0.05 0.54 -0.49 -0.55 8.60 8.16 2zpyA1 GLU 244 HA 0.04 0.10 0.79 -0.75 4.29 4.47 2zpyA1 GLU 244 HB2 0.01 0.13 -0.01 -0.04 2.09 2.17 2zpyA1 GLU 244 HB3 0.01 -0.08 0.14 -0.04 1.99 2.02 2zpyA1 GLU 244 HG2 0.00 -0.00 -0.07 -0.04 2.34 2.23 2zpyA1 GLU 244 HG3 -0.01 -0.08 -0.12 -0.04 2.34 2.10 2zpyA1 ILE 245 H 0.10 0.51 -0.21 -0.55 8.25 8.10 2zpyA1 ILE 245 HA 0.07 0.06 0.84 -0.75 4.18 4.40 2zpyA1 ILE 245 HB 0.15 0.10 0.10 -0.04 1.89 2.20 2zpyA1 ILE 245 HG12 0.08 -0.04 -0.18 -0.04 1.49 1.31 2zpyA1 ILE 245 HG13 0.08 0.15 -0.28 -0.04 1.21 1.12 2zpyA1 ILE 245 HG23 0.03 -0.01 -0.36 -0.04 0.93 0.55 2zpyA1 ILE 245 HD13 0.06 -0.02 -0.08 -0.04 0.88 0.79 2zpyA1 ARG 246 H 0.04 0.59 0.35 -0.55 8.46 8.88 2zpyA1 ARG 246 HA 0.02 0.03 0.49 -0.75 4.34 4.13 2zpyA1 ARG 246 HB2 0.03 0.01 -0.44 -0.04 1.90 1.46 2zpyA1 ARG 246 HB3 0.01 0.02 0.06 -0.04 1.80 1.85 2zpyA1 ARG 246 HG2 0.00 -0.06 -0.18 -0.04 1.67 1.39 2zpyA1 ARG 246 HG3 0.01 -0.02 -0.04 -0.04 1.67 1.58 2zpyA1 ARG 246 HD2 -0.00 -0.10 -0.10 -0.04 3.22 2.98 2zpyA1 ARG 246 HD3 0.00 -0.07 -0.07 -0.04 3.22 3.04 2zpyA1 ASN 247 H -0.01 0.39 0.25 -0.55 8.53 8.61 2zpyA1 ASN 247 HA -0.04 0.17 0.55 -0.75 4.76 4.69 2zpyA1 ASN 247 HB2 -0.05 -0.02 0.11 -0.04 2.88 2.87 2zpyA1 ASN 247 HB3 -0.03 0.08 -0.21 -0.04 2.79 2.59 2zpyA1 ASN 247 HD21 -0.03 -0.02 -0.09 -0.04 7.03 6.84 2zpyA1 ASN 247 HD22 -0.02 0.04 -0.14 -0.04 7.74 7.58 2zpyA1 ILE 248 H -0.07 0.28 0.18 -0.55 8.25 8.09 2zpyA1 ILE 248 HA -0.20 0.30 1.00 -0.75 4.18 4.53 2zpyA1 ILE 248 HB -0.02 -0.03 0.04 -0.04 1.89 1.84 2zpyA1 ILE 248 HG12 -0.11 0.04 -0.02 -0.04 1.49 1.36 2zpyA1 ILE 248 HG13 -0.01 -0.05 -0.55 -0.04 1.21 0.55 2zpyA1 ILE 248 HG23 -0.30 -0.00 -0.15 -0.04 0.93 0.43 2zpyA1 ILE 248 HD13 0.17 0.00 -0.10 -0.04 0.88 0.91 2zpyA1 SER 249 H -0.34 0.62 0.37 -0.55 8.46 8.56 2zpyA1 SER 249 HA -0.15 0.15 0.76 -0.75 4.49 4.49 2zpyA1 SER 249 HB2 -0.17 -0.00 0.08 -0.04 3.95 3.81 2zpyA1 SER 249 HB3 -0.13 0.05 -0.18 -0.04 3.93 3.63 2zpyA1 PHE 250 H -0.35 0.26 0.20 -0.55 8.34 7.90 2zpyA1 PHE 250 HA -0.01 0.22 0.92 -0.75 4.62 4.99 2zpyA1 PHE 250 HB2 0.26 0.17 -0.02 -0.04 3.15 3.51 2zpyA1 PHE 250 HB3 0.46 -0.02 -0.15 -0.04 3.06 3.30 2zpyA1 PHE 250 HD2 0.15 -0.03 -0.28 -0.04 7.28 7.07 2zpyA1 PHE 250 HE2 0.05 -0.03 -0.02 -0.04 7.38 7.34 2zpyA1 PHE 250 HZ 0.03 -0.01 -0.03 -0.04 7.32 7.27 2zpyA1 ASN 251 H 0.19 0.58 0.10 -0.55 8.53 8.85 2zpyA1 ASN 251 HA 0.06 0.16 0.91 -0.75 4.76 5.14 2zpyA1 ASN 251 HB2 0.00 0.05 -0.03 -0.04 2.88 2.86 2zpyA1 ASN 251 HB3 0.05 -0.04 0.17 -0.04 2.79 2.93 2zpyA1 ASN 251 HD21 0.03 -0.00 -0.03 -0.04 7.03 6.98 2zpyA1 ASN 251 HD22 0.01 0.04 0.05 -0.04 7.74 7.80 2zpyA1 ASP 252 H 0.29 0.23 -0.01 -0.55 8.40 8.36 2zpyA1 ASP 252 HA 0.16 0.02 0.37 -0.75 4.63 4.43 2zpyA1 ASP 252 HB2 0.09 0.02 -0.02 -0.04 2.71 2.76 2zpyA1 ASP 252 HB3 0.10 0.13 0.12 -0.04 2.70 3.01 2zpyA1 LYS 253 H 0.11 0.20 0.35 -0.55 8.42 8.52 2zpyA1 LYS 253 HA 0.04 0.13 0.73 -0.75 4.32 4.46 2zpyA1 LYS 253 HB2 0.09 0.37 0.13 -0.04 1.87 2.43 2zpyA1 LYS 253 HB3 0.06 -0.08 0.00 -0.04 1.79 1.73 2zpyA1 LYS 253 HG2 0.14 -0.04 0.08 -0.04 1.46 1.59 2zpyA1 LYS 253 HG3 0.27 -0.02 -0.23 -0.04 1.46 1.44 2zpyA1 LYS 253 HD2 0.10 0.10 -0.00 -0.04 1.69 1.85 2zpyA1 LYS 253 HD3 0.07 -0.03 0.02 -0.04 1.68 1.70 2zpyA1 LYS 253 HE2 0.16 -0.02 -0.06 -0.04 2.99 3.04 2zpyA1 LYS 253 HE3 0.02 0.01 -0.02 -0.04 2.99 2.95 2zpyA1 LYS 254 H 0.12 0.57 0.06 -0.55 8.42 8.61 2zpyA1 LYS 254 HA -0.18 0.19 0.75 -0.75 4.32 4.33 2zpyA1 LYS 254 HB2 0.05 -0.04 0.21 -0.04 1.87 2.04 2zpyA1 LYS 254 HB3 -0.09 0.02 -0.03 -0.04 1.79 1.66 2zpyA1 LYS 254 HG2 -0.00 0.03 -0.01 -0.04 1.46 1.44 2zpyA1 LYS 254 HG3 0.14 -0.04 0.06 -0.04 1.46 1.57 2zpyA1 LYS 254 HD2 0.13 0.01 -0.01 -0.04 1.69 1.78 2zpyA1 LYS 254 HD3 0.06 -0.01 0.04 -0.04 1.68 1.73 2zpyA1 LYS 254 HE2 0.02 0.01 -0.04 -0.04 2.99 2.93 2zpyA1 LYS 254 HE3 -0.02 -0.03 -0.06 -0.04 2.99 2.83 2zpyA1 PHE 255 H -0.04 0.64 0.42 -0.55 8.34 8.80 2zpyA1 PHE 255 HA 0.07 0.19 1.09 -0.75 4.62 5.21 2zpyA1 PHE 255 HB2 -0.00 -0.02 -0.14 -0.04 3.15 2.95 2zpyA1 PHE 255 HB3 0.08 -0.06 0.08 -0.04 3.06 3.12 2zpyA1 PHE 255 HD2 0.06 -0.02 -0.13 -0.04 7.28 7.14 2zpyA1 PHE 255 HE2 0.06 -0.01 -0.17 -0.04 7.38 7.22 2zpyA1 PHE 255 HZ 0.03 0.01 -0.20 -0.04 7.32 7.12 2zpyA1 VAL 256 H -0.39 0.80 0.37 -0.55 8.24 8.47 2zpyA1 VAL 256 HA -0.08 0.40 1.26 -0.75 4.13 4.96 2zpyA1 VAL 256 HB -0.14 -0.05 0.02 -0.04 2.12 1.92 2zpyA1 VAL 256 HG13 -0.06 -0.00 -0.22 -0.04 0.97 0.64 2zpyA1 VAL 256 HG23 -0.09 -0.02 -0.26 -0.04 0.95 0.54 2zpyA1 ILE 257 H -0.01 0.61 0.30 -0.55 8.25 8.60 2zpyA1 ILE 257 HA -0.16 0.23 1.11 -0.75 4.18 4.61 2zpyA1 ILE 257 HB -0.21 -0.05 0.21 -0.04 1.89 1.80 2zpyA1 ILE 257 HG12 -0.24 0.03 -0.18 -0.04 1.49 1.06 2zpyA1 ILE 257 HG13 -0.06 -0.01 -0.21 -0.04 1.21 0.89 2zpyA1 ILE 257 HG23 -0.31 0.01 -0.15 -0.04 0.93 0.45 2zpyA1 ILE 257 HD13 -0.63 -0.00 -0.13 -0.04 0.88 0.07 2zpyA1 LYS 258 H -0.05 0.36 0.13 -0.55 8.42 8.30 2zpyA1 LYS 258 HA 0.05 0.11 0.65 -0.75 4.32 4.38 2zpyA1 LYS 258 HB2 -0.02 -0.08 0.15 -0.04 1.87 1.88 2zpyA1 LYS 258 HB3 0.01 0.13 -0.02 -0.04 1.79 1.86 2zpyA1 LYS 258 HG2 -0.02 -0.00 -0.04 -0.04 1.46 1.36 2zpyA1 LYS 258 HG3 -0.00 0.05 -0.02 -0.04 1.46 1.45 2zpyA1 LYS 258 HD2 -0.04 -0.10 -0.29 -0.04 1.69 1.22 2zpyA1 LYS 258 HD3 -0.06 0.01 -0.15 -0.04 1.68 1.44 2zpyA1 LYS 258 HE2 -0.06 -0.05 -0.13 -0.04 2.99 2.71 2zpyA1 LYS 258 HE3 -0.04 0.02 -0.09 -0.04 2.99 2.83 2zpyA1 PRO 259 HA 0.09 0.12 0.74 -0.51 4.44 4.89 2zpyA1 PRO 259 HB2 0.12 -0.12 0.01 -0.04 2.28 2.26 2zpyA1 PRO 259 HB3 0.20 -0.01 0.07 -0.04 2.02 2.24 2zpyA1 PRO 259 HG2 0.12 0.23 -0.08 -0.04 2.03 2.26 2zpyA1 PRO 259 HG3 0.28 0.17 -0.20 -0.04 2.03 2.24 2zpyA1 PRO 259 HD2 0.12 -0.05 0.12 -0.04 3.68 3.83 2zpyA1 PRO 259 HD3 0.26 0.29 0.29 -0.04 3.65 4.45 2zpyA1 ILE 260 H 0.06 0.46 0.10 -0.55 8.25 8.32 2zpyA1 ILE 260 HA 0.04 0.02 0.33 -0.75 4.18 3.81 2zpyA1 ILE 260 HB 0.04 -0.07 0.05 -0.04 1.89 1.87 2zpyA1 ILE 260 HG12 0.04 -0.03 -0.22 -0.04 1.49 1.24 2zpyA1 ILE 260 HG13 0.05 -0.06 -0.74 -0.04 1.21 0.42 2zpyA1 ILE 260 HG23 0.03 -0.02 -0.13 -0.04 0.93 0.77 2zpyA1 ILE 260 HD13 0.06 0.09 -0.09 -0.04 0.88 0.90 2zpyA1 ASP 261 H 0.05 0.02 -0.12 -0.55 8.40 7.80 2zpyA1 ASP 261 HA 0.03 -0.07 0.29 -0.75 4.63 4.14 2zpyA1 ASP 261 HB2 0.04 0.01 0.09 -0.04 2.71 2.82 2zpyA1 ASP 261 HB3 0.07 0.12 -0.10 -0.04 2.70 2.74 2zpyA1 LYS 262 H 0.03 -0.05 0.15 -0.55 8.42 7.99 2zpyA1 LYS 262 HA 0.02 0.24 0.62 -0.75 4.32 4.45 2zpyA1 LYS 262 HB2 0.02 0.02 0.11 -0.04 1.87 1.97 2zpyA1 LYS 262 HB3 0.02 -0.14 0.17 -0.04 1.79 1.79 2zpyA1 LYS 262 HG2 0.01 0.02 -0.23 -0.04 1.46 1.22 2zpyA1 LYS 262 HG3 0.01 0.04 0.02 -0.04 1.46 1.50 2zpyA1 LYS 262 HD2 0.01 0.00 0.01 -0.04 1.69 1.67 2zpyA1 LYS 262 HD3 0.01 -0.05 -0.00 -0.04 1.68 1.60 2zpyA1 LYS 262 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.92 2zpyA1 LYS 262 HE3 0.01 0.02 -0.01 -0.04 2.99 2.96 2zpyA1 LYS 263 H 0.03 -0.06 0.06 -0.55 8.42 7.89 2zpyA1 LYS 263 HA 0.02 0.05 0.36 -0.75 4.32 3.99 2zpyA1 LYS 263 HB2 0.03 -0.11 0.17 -0.04 1.87 1.92 2zpyA1 LYS 263 HB3 0.03 0.05 0.01 -0.04 1.79 1.83 2zpyA1 LYS 263 HG2 0.01 0.03 0.04 -0.04 1.46 1.51 2zpyA1 LYS 263 HG3 0.02 -0.04 0.08 -0.04 1.46 1.47 2zpyA1 LYS 263 HD2 0.02 -0.01 0.04 -0.04 1.69 1.70 2zpyA1 LYS 263 HD3 0.02 0.02 0.02 -0.04 1.68 1.69 2zpyA1 LYS 263 HE2 0.01 0.00 0.01 -0.04 2.99 2.97 2zpyA1 LYS 263 HE3 0.01 0.01 0.01 -0.04 2.99 2.98 2zpyA1 ALA 264 H 0.06 -0.08 -0.07 -0.55 8.40 7.77 2zpyA1 ALA 264 HA 0.09 -0.01 0.33 -0.75 4.34 4.00 2zpyA1 ALA 264 HB3 0.17 -0.00 0.02 -0.04 1.41 1.56 2zpyA1 PRO 265 HA 0.01 0.15 0.61 -0.51 4.44 4.70 2zpyA1 PRO 265 HB2 -0.11 -0.03 0.17 -0.04 2.28 2.27 2zpyA1 PRO 265 HB3 -0.05 0.01 0.15 -0.04 2.02 2.09 2zpyA1 PRO 265 HG2 -0.33 0.10 -0.04 -0.04 2.03 1.72 2zpyA1 PRO 265 HG3 -0.14 -0.04 0.07 -0.04 2.03 1.87 2zpyA1 PRO 265 HD2 0.05 0.00 0.18 -0.04 3.68 3.87 2zpyA1 PRO 265 HD3 -0.00 0.10 0.13 -0.04 3.65 3.84 2zpyA1 ASP 266 H -0.03 0.02 0.16 -0.55 8.40 8.00 2zpyA1 ASP 266 HA 0.16 0.27 0.57 -0.75 4.63 4.89 2zpyA1 ASP 266 HB2 -0.04 -0.07 -0.01 -0.04 2.71 2.54 2zpyA1 ASP 266 HB3 0.00 -0.06 -0.06 -0.04 2.70 2.55 2zpyA1 PHE 267 H 0.24 0.34 0.23 -0.55 8.34 8.60 2zpyA1 PHE 267 HA -0.10 0.12 0.93 -0.75 4.62 4.81 2zpyA1 PHE 267 HB2 0.07 0.01 0.18 -0.04 3.15 3.36 2zpyA1 PHE 267 HB3 0.18 -0.02 -0.02 -0.04 3.06 3.17 2zpyA1 PHE 267 HD2 0.28 0.01 -0.06 -0.04 7.28 7.46 2zpyA1 PHE 267 HE2 0.16 0.02 -0.04 -0.04 7.38 7.48 2zpyA1 PHE 267 HZ 0.08 -0.05 -0.02 -0.04 7.32 7.29 2zpyA1 VAL 268 H -0.35 0.15 0.18 -0.55 8.24 7.68 2zpyA1 VAL 268 HA -0.16 0.37 1.11 -0.75 4.13 4.69 2zpyA1 VAL 268 HB -0.20 -0.08 0.04 -0.04 2.12 1.84 2zpyA1 VAL 268 HG13 -0.35 0.00 -0.05 -0.04 0.97 0.53 2zpyA1 VAL 268 HG23 -0.12 0.01 -0.13 -0.04 0.95 0.67 2zpyA1 PHE 269 H -0.07 0.61 0.43 -0.55 8.34 8.76 2zpyA1 PHE 269 HA 0.06 0.14 0.83 -0.75 4.62 4.89 2zpyA1 PHE 269 HB2 0.12 -0.02 -0.04 -0.04 3.15 3.17 2zpyA1 PHE 269 HB3 0.08 0.01 -0.01 -0.04 3.06 3.10 2zpyA1 PHE 269 HD2 0.11 0.03 -0.24 -0.04 7.28 7.13 2zpyA1 PHE 269 HE2 0.10 -0.02 -0.15 -0.04 7.38 7.27 2zpyA1 PHE 269 HZ 0.41 0.00 -0.11 -0.04 7.32 7.58 2zpyA1 TYR 270 H 0.35 0.75 0.36 -0.55 8.29 9.20 2zpyA1 TYR 270 HA 0.10 0.32 1.22 -0.75 4.56 5.45 2zpyA1 TYR 270 HB2 0.03 -0.04 0.05 -0.04 3.06 3.06 2zpyA1 TYR 270 HB3 0.03 0.08 -0.03 -0.04 2.98 3.02 2zpyA1 TYR 270 HD2 0.03 0.07 -0.22 -0.04 7.15 6.99 2zpyA1 TYR 270 HE2 -0.02 -0.05 -0.18 -0.04 6.85 6.56 2zpyA1 ALA 271 H 0.08 0.65 0.30 -0.55 8.40 8.89 2zpyA1 ALA 271 HA 0.01 0.24 0.88 -0.75 4.34 4.71 2zpyA1 ALA 271 HB3 -0.10 -0.02 0.03 -0.04 1.41 1.27 2zpyA1 PRO 272 HA 0.00 0.10 0.46 -0.51 4.44 4.49 2zpyA1 PRO 272 HB2 -0.02 -0.08 0.14 -0.04 2.28 2.28 2zpyA1 PRO 272 HB3 -0.02 0.04 0.08 -0.04 2.02 2.08 2zpyA1 PRO 272 HG2 -0.02 0.04 0.11 -0.04 2.03 2.11 2zpyA1 PRO 272 HG3 -0.02 0.06 0.03 -0.04 2.03 2.05 2zpyA1 PRO 272 HD2 -0.02 0.02 0.29 -0.04 3.68 3.92 2zpyA1 PRO 272 HD3 -0.01 0.33 0.34 -0.04 3.65 4.27 2zpyA1 ARG 273 H -0.04 0.13 0.06 -0.55 8.46 8.06 2zpyA1 ARG 273 HA -0.03 0.29 0.97 -0.75 4.34 4.82 2zpyA1 ARG 273 HB2 -0.07 -0.00 0.09 -0.04 1.90 1.88 2zpyA1 ARG 273 HB3 -0.07 -0.18 0.08 -0.04 1.80 1.59 2zpyA1 ARG 273 HG2 -0.07 0.04 -0.00 -0.04 1.67 1.60 2zpyA1 ARG 273 HG3 -0.03 0.06 0.03 -0.04 1.67 1.69 2zpyA1 ARG 273 HD2 -0.02 0.10 -0.91 -0.04 3.22 2.35 2zpyA1 ARG 273 HD3 -0.03 -0.02 -0.12 -0.04 3.22 3.00 2zpyA1 LEU 274 H -0.03 0.23 0.13 -0.55 8.37 8.15 2zpyA1 LEU 274 HA -0.10 0.28 0.38 -0.75 4.35 4.16 2zpyA1 LEU 274 HB2 0.01 0.02 0.09 -0.04 1.64 1.72 2zpyA1 LEU 274 HB3 -0.02 -0.01 0.09 -0.04 1.64 1.66 2zpyA1 LEU 274 HG -0.00 -0.02 -0.10 -0.04 1.64 1.48 2zpyA1 LEU 274 HD13 0.09 -0.03 0.12 -0.04 0.93 1.06 2zpyA1 LEU 274 HD23 0.07 0.01 0.02 -0.04 0.89 0.94 2zpyA1 ARG 275 H -0.08 0.07 -0.22 -0.55 8.46 7.68 2zpyA1 ARG 275 HA -0.08 0.09 0.36 -0.75 4.34 3.96 2zpyA1 ARG 275 HB2 -0.13 -0.03 0.02 -0.04 1.90 1.72 2zpyA1 ARG 275 HB3 -0.11 0.09 -0.01 -0.04 1.80 1.72 2zpyA1 ARG 275 HG2 -0.06 0.03 0.02 -0.04 1.67 1.62 2zpyA1 ARG 275 HG3 -0.09 -0.06 0.04 -0.04 1.67 1.52 2zpyA1 ARG 275 HD2 -0.13 0.02 -0.00 -0.04 3.22 3.06 2zpyA1 ARG 275 HD3 -0.31 0.01 -0.00 -0.04 3.22 2.88 2zpyA1 ILE 276 H -0.12 0.17 -0.38 -0.55 8.25 7.38 2zpyA1 ILE 276 HA -0.10 0.10 0.46 -0.75 4.18 3.89 2zpyA1 ILE 276 HB -0.13 0.15 0.18 -0.04 1.89 2.05 2zpyA1 ILE 276 HG12 -0.06 -0.13 0.09 -0.04 1.49 1.35 2zpyA1 ILE 276 HG13 -0.01 0.02 0.13 -0.04 1.21 1.30 2zpyA1 ILE 276 HG23 -0.12 0.03 -0.08 -0.04 0.93 0.72 2zpyA1 ILE 276 HD13 0.07 0.02 0.02 -0.04 0.88 0.95 2zpyA1 ASN 277 H -0.27 0.35 -0.05 -0.55 8.53 8.01 2zpyA1 ASN 277 HA -0.56 0.02 0.32 -0.75 4.76 3.79 2zpyA1 ASN 277 HB2 -0.46 0.11 0.15 -0.04 2.88 2.64 2zpyA1 ASN 277 HB3 -1.21 -0.04 -0.10 -0.04 2.79 1.40 2zpyA1 ASN 277 HD21 0.01 0.12 -0.42 -0.04 7.03 6.70 2zpyA1 ASN 277 HD22 -0.07 0.43 0.10 -0.04 7.74 8.16 2zpyA1 LYS 278 H -0.33 0.50 -0.30 -0.55 8.42 7.74 2zpyA1 LYS 278 HA -0.21 0.02 0.44 -0.75 4.32 3.82 2zpyA1 LYS 278 HB2 -0.08 0.10 0.12 -0.04 1.87 1.97 2zpyA1 LYS 278 HB3 0.01 -0.04 0.02 -0.04 1.79 1.74 2zpyA1 LYS 278 HG2 0.10 -0.03 0.01 -0.04 1.46 1.49 2zpyA1 LYS 278 HG3 -0.15 0.22 0.03 -0.04 1.46 1.52 2zpyA1 LYS 278 HD2 0.06 -0.00 -0.01 -0.04 1.69 1.69 2zpyA1 LYS 278 HD3 0.06 -0.04 -0.05 -0.04 1.68 1.61 2zpyA1 LYS 278 HE2 -0.04 -0.11 -0.32 -0.04 2.99 2.48 2zpyA1 LYS 278 HE3 -0.02 0.08 0.03 -0.04 2.99 3.04 2zpyA1 ARG 279 H -0.16 0.45 -0.19 -0.55 8.46 8.00 2zpyA1 ARG 279 HA 0.03 -0.01 0.43 -0.75 4.34 4.03 2zpyA1 ARG 279 HB2 -0.13 0.17 0.23 -0.04 1.90 2.13 2zpyA1 ARG 279 HB3 0.13 -0.03 0.01 -0.04 1.80 1.87 2zpyA1 ARG 279 HG2 0.08 -0.09 0.07 -0.04 1.67 1.69 2zpyA1 ARG 279 HG3 -0.01 0.29 0.13 -0.04 1.67 2.05 2zpyA1 ARG 279 HD2 0.07 0.00 0.02 -0.04 3.22 3.27 2zpyA1 ARG 279 HD3 0.19 -0.01 0.01 -0.04 3.22 3.37 2zpyA1 ILE 280 H -0.45 0.56 -0.14 -0.55 8.25 7.67 2zpyA1 ILE 280 HA -0.45 0.05 0.35 -0.75 4.18 3.38 2zpyA1 ILE 280 HB -0.66 0.07 0.09 -0.04 1.89 1.34 2zpyA1 ILE 280 HG12 -1.54 0.01 -0.10 -0.04 1.49 -0.18 2zpyA1 ILE 280 HG13 -1.24 0.12 -0.03 -0.04 1.21 0.02 2zpyA1 ILE 280 HG23 -0.56 -0.01 -0.25 -0.04 0.93 0.07 2zpyA1 ILE 280 HD13 -0.69 -0.03 -0.19 -0.04 0.88 -0.06 2zpyA1 LEU 281 H -0.11 0.62 -0.11 -0.55 8.37 8.22 2zpyA1 LEU 281 HA 0.24 0.02 0.35 -0.75 4.35 4.20 2zpyA1 LEU 281 HB2 0.36 0.13 0.13 -0.04 1.64 2.22 2zpyA1 LEU 281 HB3 0.25 0.05 0.09 -0.04 1.64 2.00 2zpyA1 LEU 281 HG 0.44 -0.03 -0.00 -0.04 1.64 2.02 2zpyA1 LEU 281 HD13 0.13 -0.02 -0.07 -0.04 0.93 0.93 2zpyA1 LEU 281 HD23 0.34 0.01 -0.06 -0.04 0.89 1.14 2zpyA1 ALA 282 H 0.05 0.56 -0.24 -0.55 8.40 8.22 2zpyA1 ALA 282 HA 0.09 -0.03 0.41 -0.75 4.34 4.05 2zpyA1 ALA 282 HB3 0.07 0.03 0.10 -0.04 1.41 1.57 2zpyA1 LEU 283 H 0.09 0.55 -0.15 -0.55 8.37 8.31 2zpyA1 LEU 283 HA 0.29 0.01 0.46 -0.75 4.35 4.36 2zpyA1 LEU 283 HB2 0.16 0.11 0.14 -0.04 1.64 2.01 2zpyA1 LEU 283 HB3 0.25 -0.01 -0.02 -0.04 1.64 1.81 2zpyA1 LEU 283 HG 0.11 0.02 0.03 -0.04 1.64 1.76 2zpyA1 LEU 283 HD13 0.38 -0.01 -0.04 -0.04 0.93 1.22 2zpyA1 LEU 283 HD23 -0.09 -0.01 -0.00 -0.04 0.89 0.75 2zpyA1 CYS 284 H 0.16 0.52 -0.24 -0.55 8.50 8.40 2zpyA1 CYS 284 HA 0.43 0.04 0.42 -0.75 4.58 4.72 2zpyA1 CYS 284 HB2 0.20 0.12 0.18 -0.04 2.97 3.43 2zpyA1 CYS 284 HB3 0.24 -0.05 -0.04 -0.04 2.97 3.08 2zpyA1 MET 285 H 0.09 0.66 -0.04 -0.55 8.47 8.64 2zpyA1 MET 285 HA -0.06 0.02 0.43 -0.75 4.52 4.15 2zpyA1 MET 285 HB2 0.04 0.06 0.13 -0.04 2.15 2.33 2zpyA1 MET 285 HB3 0.03 0.06 0.17 -0.04 2.03 2.25 2zpyA1 MET 285 HG2 -0.05 -0.03 -0.13 -0.04 2.63 2.39 2zpyA1 MET 285 HG3 -0.03 -0.01 0.04 -0.04 2.56 2.52 2zpyA1 MET 285 HE3 0.03 0.00 -0.02 -0.04 2.10 2.07 2zpyA1 GLY 286 H 0.06 0.63 -0.06 -0.55 8.43 8.52 2zpyA1 GLY 286 HA2 -0.28 -0.03 0.38 -0.51 4.01 3.57 2zpyA1 GLY 286 HA3 -0.31 0.08 0.29 -0.51 4.01 3.56 2zpyA1 ASN 287 H 0.06 0.61 -0.21 -0.55 8.53 8.44 2zpyA1 ASN 287 HA -0.10 -0.02 0.43 -0.75 4.76 4.31 2zpyA1 ASN 287 HB2 0.41 0.18 0.16 -0.04 2.88 3.59 2zpyA1 ASN 287 HB3 0.59 0.05 -0.06 -0.04 2.79 3.34 2zpyA1 ASN 287 HD21 0.45 -0.03 -0.08 -0.04 7.03 7.33 2zpyA1 ASN 287 HD22 0.43 0.40 0.00 -0.04 7.74 8.53 2zpyA1 HIS 288 H -0.29 0.59 -0.11 -0.55 8.41 8.06 2zpyA1 HIS 288 HA -1.19 0.04 0.44 -0.75 4.63 3.17 2zpyA1 HIS 288 HB2 -1.59 0.08 0.15 -0.04 3.26 1.86 2zpyA1 HIS 288 HB3 -0.57 0.06 0.14 -0.04 3.20 2.78 2zpyA1 HIS 288 HD2 -0.28 -0.02 -0.05 -0.04 6.97 6.57 2zpyA1 HIS 288 HE1 -0.09 -0.02 -0.03 -0.04 7.75 7.57 2zpyA1 GLU 289 H -0.24 0.60 -0.15 -0.55 8.60 8.26 2zpyA1 GLU 289 HA -0.27 -0.02 0.40 -0.75 4.29 3.65 2zpyA1 GLU 289 HB2 -0.18 0.13 0.15 -0.04 2.09 2.16 2zpyA1 GLU 289 HB3 -0.25 0.12 0.17 -0.04 1.99 1.99 2zpyA1 GLU 289 HG2 -0.19 -0.04 -0.10 -0.04 2.34 1.97 2zpyA1 GLU 289 HG3 -0.15 -0.04 0.04 -0.04 2.34 2.15 2zpyA1 LEU 290 H -0.26 0.57 -0.11 -0.55 8.37 8.03 2zpyA1 LEU 290 HA -0.22 -0.04 0.40 -0.75 4.35 3.74 2zpyA1 LEU 290 HB2 -0.08 0.18 0.10 -0.04 1.64 1.80 2zpyA1 LEU 290 HB3 -0.06 -0.09 0.00 -0.04 1.64 1.46 2zpyA1 LEU 290 HG -0.41 0.22 0.09 -0.04 1.64 1.50 2zpyA1 LEU 290 HD13 -0.08 0.01 -0.11 -0.04 0.93 0.71 2zpyA1 LEU 290 HD23 -0.21 -0.03 -0.03 -0.04 0.89 0.58 2zpyA1 TYR 291 H -0.06 0.45 -0.34 -0.55 8.29 7.79 2zpyA1 TYR 291 HA -0.01 -0.02 0.48 -0.75 4.56 4.26 2zpyA1 TYR 291 HB2 0.02 0.20 0.23 -0.04 3.06 3.47 2zpyA1 TYR 291 HB3 -0.46 0.19 0.28 -0.04 2.98 2.95 2zpyA1 TYR 291 HD2 0.04 0.05 -0.01 -0.04 7.15 7.18 2zpyA1 TYR 291 HE2 0.18 -0.03 -0.01 -0.04 6.85 6.95 2zpyA1 MET 292 H -0.27 0.60 -0.02 -0.55 8.47 8.24 2zpyA1 MET 292 HA -0.24 0.03 0.50 -0.75 4.52 4.06 2zpyA1 MET 292 HB2 -0.27 0.13 0.15 -0.04 2.15 2.12 2zpyA1 MET 292 HB3 -0.19 -0.10 0.09 -0.04 2.03 1.79 2zpyA1 MET 292 HG2 -0.23 -0.05 0.03 -0.04 2.63 2.35 2zpyA1 MET 292 HG3 -0.73 0.19 0.07 -0.04 2.56 2.04 2zpyA1 MET 292 HE3 -0.25 -0.00 -0.05 -0.04 2.10 1.76 2zpyA1 ARG 293 H -0.22 0.41 -0.22 -0.55 8.46 7.88 2zpyA1 ARG 293 HA -0.19 -0.02 0.52 -0.75 4.34 3.90 2zpyA1 ARG 293 HB2 -0.27 0.11 0.15 -0.04 1.90 1.85 2zpyA1 ARG 293 HB3 -0.31 -0.03 -0.02 -0.04 1.80 1.39 2zpyA1 ARG 293 HG2 -0.22 -0.09 0.05 -0.04 1.67 1.37 2zpyA1 ARG 293 HG3 -0.22 0.13 0.01 -0.04 1.67 1.55 2zpyA1 ARG 293 HD2 -0.24 -0.06 -0.02 -0.04 3.22 2.86 2zpyA1 ARG 293 HD3 -0.29 0.01 -0.06 -0.04 3.22 2.83 2zpyA1 ARG 294 H -0.20 0.40 -0.30 -0.55 8.46 7.80 2zpyA1 ARG 294 HA -0.15 0.01 0.35 -0.75 4.34 3.80 2zpyA1 ARG 294 HB2 -0.23 0.19 0.09 -0.04 1.90 1.92 2zpyA1 ARG 294 HB3 -0.11 -0.10 0.12 -0.04 1.80 1.67 2zpyA1 ARG 294 HG2 -0.09 -0.11 0.03 -0.04 1.67 1.47 2zpyA1 ARG 294 HG3 -0.11 0.59 0.22 -0.04 1.67 2.33 2zpyA1 ARG 294 HD2 0.02 0.03 0.05 -0.04 3.22 3.27 2zpyA1 ARG 294 HD3 0.02 -0.08 0.03 -0.04 3.22 3.16 2zpyA1 ARG 295 H -0.19 0.12 -0.94 -0.55 8.46 6.89 2zpyA1 ARG 295 HA -0.12 0.15 0.96 -0.75 4.34 4.57 2zpyA1 ARG 295 HB2 -0.19 0.03 0.16 -0.04 1.90 1.86 2zpyA1 ARG 295 HB3 -0.11 -0.06 -0.02 -0.04 1.80 1.57 2zpyA1 ARG 295 HG2 -0.15 -0.08 -0.02 -0.04 1.67 1.38 2zpyA1 ARG 295 HG3 -0.14 -0.00 -0.01 -0.04 1.67 1.47 2zpyA1 ARG 295 HD2 -0.32 -0.09 -0.44 -0.04 3.22 2.34 2zpyA1 ARG 295 HD3 -0.57 0.11 -0.04 -0.04 3.22 2.68 2zpyA1 LYS 296 H -0.13 0.50 0.21 -0.55 8.42 8.44 2zpyA1 LYS 296 HA -0.08 0.14 0.93 -0.75 4.32 4.56 2zpyA1 LYS 296 HB2 -0.08 -0.07 0.06 -0.04 1.87 1.74 2zpyA1 LYS 296 HB3 -0.09 0.03 0.19 -0.04 1.79 1.88 2zpyA1 LYS 296 HG2 -0.06 -0.01 0.02 -0.04 1.46 1.37 2zpyA1 LYS 296 HG3 -0.06 -0.07 0.00 -0.04 1.46 1.30 2zpyA1 LYS 296 HD2 -0.08 0.07 -0.69 -0.04 1.69 0.95 2zpyA1 LYS 296 HD3 -0.06 -0.07 -0.11 -0.04 1.68 1.40 2zpyA1 LYS 296 HE2 -0.09 0.08 0.01 -0.04 2.99 2.95 2zpyA1 LYS 296 HE3 -0.07 -0.08 -0.05 -0.04 2.99 2.75 2zpyA1 PRO 297 HA -0.10 0.03 0.21 -0.51 4.44 4.07 2zpyA1 PRO 297 HB2 -0.18 0.01 0.13 -0.04 2.28 2.20 2zpyA1 PRO 297 HB3 -0.14 -0.02 0.08 -0.04 2.02 1.91 2zpyA1 PRO 297 HG2 -0.14 0.02 -0.02 -0.04 2.03 1.84 2zpyA1 PRO 297 HG3 -0.11 -0.00 0.04 -0.04 2.03 1.92 2zpyA1 PRO 297 HD2 -0.15 0.34 0.23 -0.04 3.68 4.05 2zpyA1 PRO 297 HD3 -0.12 0.03 0.19 -0.04 3.65 3.71