============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 65 rings ring int. center anis. iso. PHE 4 1.000 45.031 105.007 107.537 -99.200 -91.000 PHE 7 1.000 40.842 114.756 118.634 -99.200 -91.000 TRP 11 1.040 46.543 110.251 122.107 -99.200 -91.000 TRP6 11 1.020 47.954 108.425 122.633 -99.200 -91.000 PHE 26 1.000 51.707 104.809 119.721 -99.200 -91.000 TYR 28 0.840 48.263 106.701 114.307 -99.200 -91.000 TRP 36 1.040 41.813 119.574 124.377 -99.200 -91.000 TRP6 36 1.020 40.326 119.300 122.540 -99.200 -91.000 HIS 39 0.900 48.144 117.797 122.474 -99.200 -91.000 PHE 40 1.000 46.991 125.775 116.224 -99.200 -91.000 TYR 51 0.840 51.390 128.173 119.426 -99.200 -91.000 HIS 56 0.900 53.689 124.872 109.955 -99.200 -91.000 TYR 62 0.840 59.563 113.988 117.607 -99.200 -91.000 TRP 67 1.040 47.219 116.829 105.148 -99.200 -91.000 TRP6 67 1.020 48.428 115.017 106.076 -99.200 -91.000 HIS 72 0.900 36.075 117.491 118.378 -99.200 -91.000 HIS 87 0.900 28.464 123.436 128.660 -99.200 -91.000 TRP 96 1.040 33.168 129.573 133.961 -99.200 -91.000 TRP6 96 1.020 31.188 128.386 133.414 -99.200 -91.000 PHE 130 1.000 31.462 117.429 119.581 -99.200 -91.000 TRP 136 1.040 21.439 116.161 123.822 -99.200 -91.000 TRP6 136 1.020 21.184 114.421 122.218 -99.200 -91.000 HIS 137 0.900 17.198 121.524 126.603 -99.200 -91.000 PHE 141 1.000 5.711 113.830 129.922 -99.200 -91.000 TYR 152 0.840 17.079 121.523 113.771 -99.200 -91.000 PHE 155 1.000 23.692 125.068 112.755 -99.200 -91.000 TRP 159 1.040 27.691 127.321 115.162 -99.200 -91.000 TRP6 159 1.020 29.958 126.740 114.907 -99.200 -91.000 PHE 166 1.000 35.506 127.969 110.418 -99.200 -91.000 PHE 173 1.000 32.653 123.662 112.757 -99.200 -91.000 HIS 175 0.900 28.250 119.418 114.042 -99.200 -91.000 HIS 178 0.900 29.484 113.190 120.045 -99.200 -91.000 TYR 184 0.840 20.033 113.971 117.384 -99.200 -91.000 TYR 186 0.840 19.965 110.366 106.003 -99.200 -91.000 TRP 187 1.040 15.535 110.931 108.754 -99.200 -91.000 TRP6 187 1.020 15.178 111.483 106.450 -99.200 -91.000 HIS 190 0.900 19.298 115.100 104.145 -99.200 -91.000 HIS 198 0.900 21.795 121.572 101.967 -99.200 -91.000 PHE 202 1.000 27.398 122.910 109.844 -99.200 -91.000 PHE 206 1.000 31.682 108.268 108.314 -99.200 -91.000 HIS 210 0.900 28.372 108.953 119.942 -99.200 -91.000 PHE 211 1.000 26.845 108.003 111.247 -99.200 -91.000 TRP 213 1.040 24.645 105.510 120.454 -99.200 -91.000 TRP6 213 1.020 22.550 106.443 121.075 -99.200 -91.000 PHE 221 1.000 26.170 111.378 107.876 -99.200 -91.000 TRP 223 1.040 24.765 107.522 97.220 -99.200 -91.000 TRP6 223 1.020 26.314 107.095 95.467 -99.200 -91.000 PHE 225 1.000 23.579 114.054 105.016 -99.200 -91.000 TYR 230 0.840 33.402 120.382 103.782 -99.200 -91.000 HIS 231 0.900 39.505 115.045 109.833 -99.200 -91.000 HIS 251 0.900 22.018 109.546 132.869 -99.200 -91.000 TRP 254 1.040 32.896 107.259 128.338 -99.200 -91.000 TRP6 254 1.020 31.172 106.870 126.738 -99.200 -91.000 TRP 261 1.040 26.335 103.258 123.161 -99.200 -91.000 TRP6 261 1.020 28.182 104.679 122.700 -99.200 -91.000 PHE 263 1.000 32.918 106.499 122.317 -99.200 -91.000 HIS 268 0.900 40.104 94.711 119.621 -99.200 -91.000 TRP 273 1.040 36.272 99.556 111.139 -99.200 -91.000 TRP6 273 1.020 36.213 101.908 111.416 -99.200 -91.000 PHE 277 1.000 39.169 102.604 105.879 -99.200 -91.000 TYR 284 0.840 38.076 111.978 103.358 -99.200 -91.000 TRP 292 1.040 43.068 103.562 120.802 -99.200 -91.000 TRP6 292 1.020 42.911 103.357 123.158 -99.200 -91.000 PHE 312 1.000 38.729 96.629 107.435 -99.200 -91.000 PHE 314 1.000 40.450 97.389 100.273 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 2zdsA1 PRO 1 HA 0.06 -0.06 0.06 -0.51 4.44 3.99 2zdsA1 PRO 1 HB2 0.12 0.15 -0.02 -0.04 2.28 2.49 2zdsA1 PRO 1 HB3 0.07 -0.02 0.04 -0.04 2.02 2.07 2zdsA1 PRO 1 HG2 0.05 0.01 -0.04 -0.04 2.03 2.01 2zdsA1 PRO 1 HG3 0.04 -0.03 0.01 -0.04 2.03 2.00 2zdsA1 PRO 1 HD2 0.03 -0.04 0.02 -0.04 3.68 3.65 2zdsA1 PRO 1 HD3 0.03 -0.04 0.02 -0.04 3.65 3.62 2zdsA1 ARG 2 H 0.10 0.05 0.02 -0.55 8.46 8.07 2zdsA1 ARG 2 HA -0.10 0.17 0.68 -0.75 4.34 4.34 2zdsA1 ARG 2 HB2 -0.15 -0.07 0.01 -0.04 1.90 1.64 2zdsA1 ARG 2 HB3 -0.36 0.06 -0.01 -0.04 1.80 1.45 2zdsA1 ARG 2 HG2 -0.12 0.12 -0.01 -0.04 1.67 1.61 2zdsA1 ARG 2 HG3 -0.03 -0.04 -0.10 -0.04 1.67 1.46 2zdsA1 ARG 2 HD2 0.08 -0.05 -0.05 -0.04 3.22 3.16 2zdsA1 ARG 2 HD3 -0.11 -0.05 -0.08 -0.04 3.22 2.94 2zdsA1 ASN 3 H -0.27 0.20 0.11 -0.55 8.53 8.02 2zdsA1 ASN 3 HA 0.02 0.16 0.86 -0.75 4.76 5.06 2zdsA1 ASN 3 HB2 -0.69 -0.03 0.08 -0.04 2.88 2.20 2zdsA1 ASN 3 HB3 -0.22 -0.02 -0.02 -0.04 2.79 2.49 2zdsA1 ASN 3 HD21 -0.06 0.03 -0.02 -0.04 7.03 6.93 2zdsA1 ASN 3 HD22 -0.50 0.01 -0.00 -0.04 7.74 7.21 2zdsA1 PHE 4 H 0.28 0.22 0.19 -0.55 8.34 8.48 2zdsA1 PHE 4 HA 0.09 0.41 1.04 -0.75 4.62 5.40 2zdsA1 PHE 4 HB2 0.01 0.02 0.08 -0.04 3.15 3.22 2zdsA1 PHE 4 HB3 0.12 -0.03 -0.03 -0.04 3.06 3.09 2zdsA1 PHE 4 HD2 0.05 0.05 -0.12 -0.04 7.28 7.23 2zdsA1 PHE 4 HE2 0.11 -0.03 -0.10 -0.04 7.38 7.31 2zdsA1 PHE 4 HZ 0.13 0.02 -0.17 -0.04 7.32 7.27 2zdsA1 THR 5 H 0.39 0.55 0.32 -0.55 8.28 8.99 2zdsA1 THR 5 HA 0.30 0.23 0.47 -0.75 4.39 4.64 2zdsA1 THR 5 HB 0.20 0.10 -0.38 -0.04 4.32 4.20 2zdsA1 THR 5 HG23 0.26 -0.07 -0.31 -0.04 1.22 1.06 2zdsA1 LEU 6 H -0.07 0.61 0.33 -0.55 8.37 8.69 2zdsA1 LEU 6 HA -0.18 0.18 1.08 -0.75 4.35 4.68 2zdsA1 LEU 6 HB2 -1.50 0.06 0.13 -0.04 1.64 0.29 2zdsA1 LEU 6 HB3 -0.53 0.01 0.20 -0.04 1.64 1.28 2zdsA1 LEU 6 HG -0.44 0.09 -0.15 -0.04 1.64 1.10 2zdsA1 LEU 6 HD13 -0.13 0.02 0.12 -0.04 0.93 0.91 2zdsA1 LEU 6 HD23 -1.16 -0.00 -0.03 -0.04 0.89 -0.34 2zdsA1 PHE 7 H 0.23 0.64 0.25 -0.55 8.34 8.91 2zdsA1 PHE 7 HA 0.02 0.20 0.84 -0.75 4.62 4.93 2zdsA1 PHE 7 HB2 0.11 0.04 -0.03 -0.04 3.15 3.22 2zdsA1 PHE 7 HB3 0.13 0.01 0.15 -0.04 3.06 3.30 2zdsA1 PHE 7 HD2 0.05 0.16 -0.03 -0.04 7.28 7.42 2zdsA1 PHE 7 HE2 0.01 0.06 -0.09 -0.04 7.38 7.31 2zdsA1 PHE 7 HZ 0.34 0.00 -0.04 -0.04 7.32 7.58 2zdsA1 THR 8 H -0.52 0.29 0.29 -0.55 8.28 7.80 2zdsA1 THR 8 HA -0.12 0.16 0.12 -0.75 4.39 3.80 2zdsA1 THR 8 HB -0.17 0.35 0.27 -0.04 4.32 4.74 2zdsA1 THR 8 HG23 0.16 0.00 0.07 -0.04 1.22 1.42 2zdsA1 GLY 9 H -2.08 0.08 -0.12 -0.55 8.43 5.76 2zdsA1 GLY 9 HA2 -0.61 0.05 0.28 -0.51 4.01 3.22 2zdsA1 GLY 9 HA3 -0.66 0.06 0.28 -0.51 4.01 3.18 2zdsA1 GLN 10 H -0.01 0.18 -0.09 -0.55 8.47 8.00 2zdsA1 GLN 10 HA -0.03 0.09 0.53 -0.75 4.36 4.20 2zdsA1 GLN 10 HB2 -0.05 0.04 0.09 -0.04 2.15 2.18 2zdsA1 GLN 10 HB3 -0.30 0.00 0.16 -0.04 2.02 1.85 2zdsA1 GLN 10 HG2 0.00 0.25 0.13 -0.04 2.40 2.74 2zdsA1 GLN 10 HG3 -0.02 -0.04 0.03 -0.04 2.39 2.32 2zdsA1 GLN 10 HE21 0.16 -0.05 -0.12 -0.04 6.97 6.93 2zdsA1 GLN 10 HE22 -0.04 0.02 -0.10 -0.04 7.69 7.54 2zdsA1 TRP 11 H 0.18 0.39 -0.68 -0.55 7.97 7.31 2zdsA1 TRP 11 HA 0.02 0.15 0.78 -0.75 4.62 4.82 2zdsA1 TRP 11 HB2 -0.01 0.12 0.06 -0.04 3.23 3.36 2zdsA1 TRP 11 HB3 -0.00 -0.03 0.12 -0.04 3.23 3.28 2zdsA1 TRP 11 HD1 -0.10 -0.10 -0.09 -0.04 7.22 6.89 2zdsA1 TRP 11 HE1 0.09 -0.04 0.03 -0.04 10.20 10.23 2zdsA1 TRP 11 HE3 -0.01 -0.02 -0.03 -0.04 7.59 7.48 2zdsA1 TRP 11 HZ2 -0.15 -0.03 -0.02 -0.04 7.44 7.20 2zdsA1 TRP 11 HZ3 0.07 -0.00 -0.09 -0.04 7.13 7.07 2zdsA1 TRP 11 HH2 -0.01 0.10 -0.21 -0.04 7.19 7.02 2zdsA1 ALA 12 H 0.05 0.30 -0.12 -0.55 8.40 8.09 2zdsA1 ALA 12 HA -0.54 0.13 0.36 -0.75 4.34 3.53 2zdsA1 ALA 12 HB3 -0.11 -0.01 0.05 -0.04 1.41 1.30 2zdsA1 ASP 13 H 0.04 0.08 -0.33 -0.55 8.40 7.65 2zdsA1 ASP 13 HA 0.04 0.09 0.56 -0.75 4.63 4.56 2zdsA1 ASP 13 HB2 0.02 0.01 0.08 -0.04 2.71 2.78 2zdsA1 ASP 13 HB3 0.02 -0.01 0.05 -0.04 2.70 2.72 2zdsA1 LEU 14 H 0.13 0.37 -0.38 -0.55 8.37 7.95 2zdsA1 LEU 14 HA 0.07 0.18 0.84 -0.75 4.35 4.68 2zdsA1 LEU 14 HB2 0.20 0.14 0.06 -0.04 1.64 2.00 2zdsA1 LEU 14 HB3 0.09 -0.02 0.04 -0.04 1.64 1.71 2zdsA1 LEU 14 HG 0.13 -0.09 -0.11 -0.04 1.64 1.53 2zdsA1 LEU 14 HD13 0.28 -0.01 -0.05 -0.04 0.93 1.10 2zdsA1 LEU 14 HD23 0.06 0.02 -0.09 -0.04 0.89 0.84 2zdsA1 PRO 15 HA 0.10 0.06 0.51 -0.51 4.44 4.60 2zdsA1 PRO 15 HB2 0.01 -0.15 0.06 -0.04 2.28 2.16 2zdsA1 PRO 15 HB3 0.03 0.07 0.13 -0.04 2.02 2.21 2zdsA1 PRO 15 HG2 0.02 0.06 0.10 -0.04 2.03 2.18 2zdsA1 PRO 15 HG3 0.04 0.09 0.09 -0.04 2.03 2.21 2zdsA1 PRO 15 HD2 0.04 0.05 0.22 -0.04 3.68 3.95 2zdsA1 PRO 15 HD3 0.05 0.24 0.25 -0.04 3.65 4.15 2zdsA1 LEU 16 H 0.07 0.18 0.13 -0.55 8.37 8.20 2zdsA1 LEU 16 HA -0.36 0.08 0.31 -0.75 4.35 3.63 2zdsA1 LEU 16 HB2 -0.01 0.06 0.08 -0.04 1.64 1.73 2zdsA1 LEU 16 HB3 -0.10 0.04 -0.00 -0.04 1.64 1.54 2zdsA1 LEU 16 HG -0.20 -0.06 0.11 -0.04 1.64 1.45 2zdsA1 LEU 16 HD13 -0.09 0.04 0.04 -0.04 0.93 0.88 2zdsA1 LEU 16 HD23 -0.45 -0.02 0.02 -0.04 0.89 0.40 2zdsA1 GLU 17 H -0.06 0.06 -0.24 -0.55 8.60 7.82 2zdsA1 GLU 17 HA -0.18 0.15 0.41 -0.75 4.29 3.92 2zdsA1 GLU 17 HB2 -0.01 0.04 0.07 -0.04 2.09 2.16 2zdsA1 GLU 17 HB3 -0.03 -0.05 0.04 -0.04 1.99 1.91 2zdsA1 GLU 17 HG2 0.01 -0.00 -0.17 -0.04 2.34 2.13 2zdsA1 GLU 17 HG3 -0.03 0.02 0.04 -0.04 2.34 2.33 2zdsA1 GLU 18 H -0.08 0.13 -0.17 -0.55 8.60 7.93 2zdsA1 GLU 18 HA -0.13 0.06 0.49 -0.75 4.29 3.96 2zdsA1 GLU 18 HB2 -0.03 0.04 0.14 -0.04 2.09 2.21 2zdsA1 GLU 18 HB3 -0.02 0.04 -0.05 -0.04 1.99 1.91 2zdsA1 GLU 18 HG2 -0.02 -0.01 0.05 -0.04 2.34 2.32 2zdsA1 GLU 18 HG3 0.01 0.00 0.05 -0.04 2.34 2.36 2zdsA1 VAL 19 H -0.14 0.39 -0.19 -0.55 8.24 7.75 2zdsA1 VAL 19 HA -0.27 -0.02 0.39 -0.75 4.13 3.48 2zdsA1 VAL 19 HB -0.36 0.12 0.09 -0.04 2.12 1.93 2zdsA1 VAL 19 HG13 -0.45 -0.03 -0.08 -0.04 0.97 0.38 2zdsA1 VAL 19 HG23 0.00 0.04 -0.06 -0.04 0.95 0.88 2zdsA1 CYS 20 H -0.37 0.54 -0.15 -0.55 8.50 7.97 2zdsA1 CYS 20 HA -0.34 0.01 0.42 -0.75 4.58 3.92 2zdsA1 CYS 20 HB2 -0.75 0.08 0.13 -0.04 2.97 2.38 2zdsA1 CYS 20 HB3 -0.54 0.05 -0.06 -0.04 2.97 2.39 2zdsA1 ARG 21 H -0.71 0.50 -0.06 -0.55 8.46 7.64 2zdsA1 ARG 21 HA -0.37 0.06 0.47 -0.75 4.34 3.76 2zdsA1 ARG 21 HB2 -0.34 0.03 0.16 -0.04 1.90 1.71 2zdsA1 ARG 21 HB3 -0.27 0.10 0.22 -0.04 1.80 1.81 2zdsA1 ARG 21 HG2 -0.12 -0.01 -0.16 -0.04 1.67 1.34 2zdsA1 ARG 21 HG3 0.02 0.01 0.04 -0.04 1.67 1.70 2zdsA1 ARG 21 HD2 -0.01 -0.01 -0.01 -0.04 3.22 3.15 2zdsA1 ARG 21 HD3 -0.02 -0.02 0.01 -0.04 3.22 3.15 2zdsA1 LEU 22 H -0.39 0.60 -0.11 -0.55 8.37 7.93 2zdsA1 LEU 22 HA -0.64 0.01 0.38 -0.75 4.35 3.35 2zdsA1 LEU 22 HB2 -0.55 0.08 0.12 -0.04 1.64 1.25 2zdsA1 LEU 22 HB3 -1.01 -0.06 0.01 -0.04 1.64 0.54 2zdsA1 LEU 22 HG -0.21 0.15 0.03 -0.04 1.64 1.57 2zdsA1 LEU 22 HD13 0.13 -0.04 -0.09 -0.04 0.93 0.89 2zdsA1 LEU 22 HD23 -0.16 -0.01 -0.01 -0.04 0.89 0.67 2zdsA1 ALA 23 H -0.46 0.54 -0.15 -0.55 8.40 7.78 2zdsA1 ALA 23 HA -0.14 -0.06 0.28 -0.75 4.34 3.67 2zdsA1 ALA 23 HB3 -0.26 0.00 0.08 -0.04 1.41 1.20 2zdsA1 ARG 24 H -0.17 0.57 -0.09 -0.55 8.46 8.21 2zdsA1 ARG 24 HA 0.02 0.15 0.57 -0.75 4.34 4.33 2zdsA1 ARG 24 HB2 0.05 0.17 0.16 -0.04 1.90 2.24 2zdsA1 ARG 24 HB3 -0.02 0.05 0.22 -0.04 1.80 2.01 2zdsA1 ARG 24 HG2 0.02 -0.07 -0.21 -0.04 1.67 1.37 2zdsA1 ARG 24 HG3 0.03 -0.02 -0.02 -0.04 1.67 1.63 2zdsA1 ARG 24 HD2 0.04 -0.06 -0.02 -0.04 3.22 3.14 2zdsA1 ARG 24 HD3 0.13 0.26 0.10 -0.04 3.22 3.67 2zdsA1 ASP 25 H -0.18 0.55 -0.00 -0.55 8.40 8.22 2zdsA1 ASP 25 HA -0.02 0.01 0.50 -0.75 4.63 4.36 2zdsA1 ASP 25 HB2 -0.35 0.07 0.17 -0.04 2.71 2.56 2zdsA1 ASP 25 HB3 -0.05 -0.08 0.02 -0.04 2.70 2.56 2zdsA1 PHE 26 H -0.12 0.44 -0.26 -0.55 8.34 7.84 2zdsA1 PHE 26 HA -0.02 -0.00 0.49 -0.75 4.62 4.34 2zdsA1 PHE 26 HB2 0.22 0.08 0.11 -0.04 3.15 3.52 2zdsA1 PHE 26 HB3 0.16 -0.11 -0.03 -0.04 3.06 3.04 2zdsA1 PHE 26 HD2 -0.11 -0.02 -0.14 -0.04 7.28 6.97 2zdsA1 PHE 26 HE2 -0.18 -0.05 -0.03 -0.04 7.38 7.07 2zdsA1 PHE 26 HZ 0.07 -0.14 0.03 -0.04 7.32 7.24 2zdsA1 GLY 27 H 0.09 0.36 -0.22 -0.55 8.43 8.11 2zdsA1 GLY 27 HA2 0.00 0.07 0.28 -0.51 4.01 3.85 2zdsA1 GLY 27 HA3 -0.07 0.06 0.70 -0.51 4.01 4.19 2zdsA1 TYR 28 H 0.24 0.40 0.09 -0.55 8.29 8.47 2zdsA1 TYR 28 HA 0.10 0.02 0.37 -0.75 4.56 4.29 2zdsA1 TYR 28 HB2 0.01 0.02 0.04 -0.04 3.06 3.09 2zdsA1 TYR 28 HB3 0.09 -0.06 0.11 -0.04 2.98 3.07 2zdsA1 TYR 28 HD2 0.14 0.03 -0.26 -0.04 7.15 7.02 2zdsA1 TYR 28 HE2 0.09 -0.02 -0.16 -0.04 6.85 6.72 2zdsA1 ASP 29 H 0.30 0.44 0.34 -0.55 8.40 8.93 2zdsA1 ASP 29 HA 0.17 0.23 0.76 -0.75 4.63 5.03 2zdsA1 ASP 29 HB2 0.30 0.03 0.19 -0.04 2.71 3.19 2zdsA1 ASP 29 HB3 0.31 -0.03 0.16 -0.04 2.70 3.09 2zdsA1 GLY 30 H 0.30 0.17 0.19 -0.55 8.43 8.54 2zdsA1 GLY 30 HA2 0.08 0.07 0.63 -0.51 4.01 4.28 2zdsA1 GLY 30 HA3 0.28 0.04 0.30 -0.51 4.01 4.12 2zdsA1 LEU 31 H 0.03 0.70 0.36 -0.55 8.37 8.92 2zdsA1 LEU 31 HA -0.04 0.17 0.93 -0.75 4.35 4.66 2zdsA1 LEU 31 HB2 -0.09 0.09 0.06 -0.04 1.64 1.66 2zdsA1 LEU 31 HB3 -0.10 -0.09 -0.09 -0.04 1.64 1.32 2zdsA1 LEU 31 HG -0.22 -0.06 -0.05 -0.04 1.64 1.27 2zdsA1 LEU 31 HD13 -0.22 0.02 -0.12 -0.04 0.93 0.57 2zdsA1 LEU 31 HD23 -0.21 0.00 -0.13 -0.04 0.89 0.51 2zdsA1 GLU 32 H 0.09 0.61 0.12 -0.55 8.60 8.87 2zdsA1 GLU 32 HA 0.11 0.30 0.79 -0.75 4.29 4.73 2zdsA1 GLU 32 HB2 0.25 0.06 -0.08 -0.04 2.09 2.28 2zdsA1 GLU 32 HB3 0.29 -0.11 -0.01 -0.04 1.99 2.13 2zdsA1 GLU 32 HG2 0.25 -0.08 -0.46 -0.04 2.34 2.01 2zdsA1 GLU 32 HG3 -0.01 0.09 -0.28 -0.04 2.34 2.10 2zdsA1 LEU 33 H -0.01 0.54 0.15 -0.55 8.37 8.50 2zdsA1 LEU 33 HA -0.06 -0.00 0.32 -0.75 4.35 3.85 2zdsA1 LEU 33 HB2 -0.14 0.03 0.14 -0.04 1.64 1.63 2zdsA1 LEU 33 HB3 0.00 0.05 -0.16 -0.04 1.64 1.49 2zdsA1 LEU 33 HG -0.10 0.05 -0.07 -0.04 1.64 1.47 2zdsA1 LEU 33 HD13 -0.11 0.04 -0.06 -0.04 0.93 0.75 2zdsA1 LEU 33 HD23 -0.12 0.00 -0.09 -0.04 0.89 0.64 2zdsA1 ALA 34 H -0.19 0.11 0.23 -0.55 8.40 8.01 2zdsA1 ALA 34 HA -0.26 0.11 0.71 -0.75 4.34 4.14 2zdsA1 ALA 34 HB3 -1.62 -0.01 0.06 -0.04 1.41 -0.20 2zdsA1 CYS 35 H 0.13 0.69 0.41 -0.55 8.50 9.18 2zdsA1 CYS 35 HA 0.29 0.27 0.73 -0.75 4.58 5.11 2zdsA1 CYS 35 HB2 0.44 -0.09 0.31 -0.04 2.97 3.59 2zdsA1 CYS 35 HB3 0.32 -0.07 0.29 -0.04 2.97 3.47 2zdsA1 TRP 36 H -0.18 0.40 -0.69 -0.55 7.97 6.95 2zdsA1 TRP 36 HA 0.04 0.17 0.39 -0.75 4.62 4.46 2zdsA1 TRP 36 HB2 0.01 -0.06 0.19 -0.04 3.23 3.33 2zdsA1 TRP 36 HB3 0.06 0.15 -0.01 -0.04 3.23 3.39 2zdsA1 TRP 36 HD1 -0.06 0.03 -0.06 -0.04 7.22 7.08 2zdsA1 TRP 36 HE1 -0.04 0.13 0.03 -0.04 10.20 10.27 2zdsA1 TRP 36 HE3 0.15 0.11 -0.23 -0.04 7.59 7.58 2zdsA1 TRP 36 HZ2 0.10 0.02 -0.01 -0.04 7.44 7.51 2zdsA1 TRP 36 HZ3 0.28 -0.11 -0.04 -0.04 7.13 7.21 2zdsA1 TRP 36 HH2 0.47 -0.02 -0.04 -0.04 7.19 7.56 2zdsA1 GLY 37 H 0.31 0.14 0.13 -0.55 8.43 8.46 2zdsA1 GLY 37 HA2 0.05 0.11 0.35 -0.51 4.01 4.01 2zdsA1 GLY 37 HA3 -0.19 0.13 0.71 -0.51 4.01 4.15 2zdsA1 ASP 38 H 0.04 0.22 0.13 -0.55 8.40 8.25 2zdsA1 ASP 38 HA 0.10 0.15 0.67 -0.75 4.63 4.79 2zdsA1 ASP 38 HB2 0.09 0.03 0.15 -0.04 2.71 2.94 2zdsA1 ASP 38 HB3 0.07 0.02 0.05 -0.04 2.70 2.80 2zdsA1 HIS 39 H 0.07 0.41 -0.18 -0.55 8.41 8.16 2zdsA1 HIS 39 HA -0.00 -0.01 0.38 -0.75 4.63 4.24 2zdsA1 HIS 39 HB2 -0.14 0.26 0.30 -0.04 3.26 3.65 2zdsA1 HIS 39 HB3 -0.09 -0.08 0.06 -0.04 3.20 3.05 2zdsA1 HIS 39 HD2 -0.03 -0.25 -0.04 -0.04 6.97 6.60 2zdsA1 HIS 39 HE1 -0.01 0.04 -0.40 -0.04 7.75 7.33 2zdsA1 PHE 40 H 0.20 0.30 0.04 -0.55 8.34 8.33 2zdsA1 PHE 40 HA 0.22 0.18 0.49 -0.75 4.62 4.75 2zdsA1 PHE 40 HB2 0.04 0.04 -0.21 -0.04 3.15 2.98 2zdsA1 PHE 40 HB3 0.06 -0.07 -0.09 -0.04 3.06 2.92 2zdsA1 PHE 40 HD2 0.08 -0.00 -0.08 -0.04 7.28 7.23 2zdsA1 PHE 40 HE2 0.06 0.00 -0.12 -0.04 7.38 7.28 2zdsA1 PHE 40 HZ 0.07 0.15 -0.17 -0.04 7.32 7.33 2zdsA1 GLU 41 H -0.10 0.25 -0.13 -0.55 8.60 8.07 2zdsA1 GLU 41 HA -0.08 0.18 0.74 -0.75 4.29 4.37 2zdsA1 GLU 41 HB2 -0.42 -0.04 0.10 -0.04 2.09 1.69 2zdsA1 GLU 41 HB3 -0.15 -0.05 0.04 -0.04 1.99 1.79 2zdsA1 GLU 41 HG2 0.04 0.14 -0.26 -0.04 2.34 2.21 2zdsA1 GLU 41 HG3 0.09 0.01 -0.30 -0.04 2.34 2.10 2zdsA1 VAL 42 H -0.07 0.27 0.14 -0.55 8.24 8.03 2zdsA1 VAL 42 HA -0.22 0.12 0.26 -0.75 4.13 3.53 2zdsA1 VAL 42 HB 0.03 -0.05 0.12 -0.04 2.12 2.18 2zdsA1 VAL 42 HG13 0.04 0.05 -0.29 -0.04 0.97 0.74 2zdsA1 VAL 42 HG23 0.22 0.04 0.03 -0.04 0.95 1.20 2zdsA1 ASP 43 H -0.10 0.07 -0.08 -0.55 8.40 7.73 2zdsA1 ASP 43 HA -0.08 0.15 0.44 -0.75 4.63 4.39 2zdsA1 ASP 43 HB2 -0.06 0.07 0.01 -0.04 2.71 2.68 2zdsA1 ASP 43 HB3 -0.05 0.03 0.08 -0.04 2.70 2.72 2zdsA1 LYS 44 H -0.34 0.07 -0.26 -0.55 8.42 7.33 2zdsA1 LYS 44 HA -0.23 0.06 0.55 -0.75 4.32 3.94 2zdsA1 LYS 44 HB2 -1.16 0.09 0.06 -0.04 1.87 0.83 2zdsA1 LYS 44 HB3 -0.64 0.02 0.00 -0.04 1.79 1.14 2zdsA1 LYS 44 HG2 -0.17 0.02 0.00 -0.04 1.46 1.27 2zdsA1 LYS 44 HG3 -0.25 -0.09 0.01 -0.04 1.46 1.09 2zdsA1 LYS 44 HD2 -0.15 -0.00 -0.01 -0.04 1.69 1.49 2zdsA1 LYS 44 HD3 -0.08 0.03 -0.01 -0.04 1.68 1.58 2zdsA1 LYS 44 HE2 0.03 0.03 -0.01 -0.04 2.99 2.99 2zdsA1 LYS 44 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 2zdsA1 ALA 45 H -0.64 0.53 -0.13 -0.55 8.40 7.61 2zdsA1 ALA 45 HA -0.01 -0.06 0.39 -0.75 4.34 3.90 2zdsA1 ALA 45 HB3 -0.25 0.05 0.04 -0.04 1.41 1.20 2zdsA1 LEU 46 H -0.14 0.18 -0.49 -0.55 8.37 7.38 2zdsA1 LEU 46 HA -0.01 0.18 0.62 -0.75 4.35 4.38 2zdsA1 LEU 46 HB2 -0.05 -0.00 0.10 -0.04 1.64 1.64 2zdsA1 LEU 46 HB3 -0.02 -0.02 -0.02 -0.04 1.64 1.54 2zdsA1 LEU 46 HG -0.03 0.11 -0.04 -0.04 1.64 1.64 2zdsA1 LEU 46 HD13 -0.01 -0.01 -0.02 -0.04 0.93 0.85 2zdsA1 LEU 46 HD23 0.01 0.01 -0.26 -0.04 0.89 0.60 2zdsA1 ALA 47 H -0.09 0.39 0.07 -0.55 8.40 8.23 2zdsA1 ALA 47 HA -0.03 0.08 0.46 -0.75 4.34 4.11 2zdsA1 ALA 47 HB3 -0.05 -0.04 0.10 -0.04 1.41 1.38 2zdsA1 ASP 48 H -0.05 0.54 -0.09 -0.55 8.40 8.25 2zdsA1 ASP 48 HA 0.01 0.19 0.79 -0.75 4.63 4.87 2zdsA1 ASP 48 HB2 -0.00 -0.04 0.03 -0.04 2.71 2.66 2zdsA1 ASP 48 HB3 0.03 0.11 0.20 -0.04 2.70 3.00 2zdsA1 PRO 49 HA 0.04 0.18 0.27 -0.51 4.44 4.42 2zdsA1 PRO 49 HB2 0.02 0.01 0.03 -0.04 2.28 2.30 2zdsA1 PRO 49 HB3 0.02 0.08 0.11 -0.04 2.02 2.19 2zdsA1 PRO 49 HG2 0.02 -0.04 0.06 -0.04 2.03 2.03 2zdsA1 PRO 49 HG3 0.01 0.06 0.09 -0.04 2.03 2.15 2zdsA1 PRO 49 HD2 0.02 0.01 0.31 -0.04 3.68 3.97 2zdsA1 PRO 49 HD3 0.01 0.40 0.21 -0.04 3.65 4.23 2zdsA1 SER 50 H 0.05 0.04 -0.53 -0.55 8.46 7.48 2zdsA1 SER 50 HA 0.04 0.23 0.89 -0.75 4.49 4.89 2zdsA1 SER 50 HB2 0.02 0.00 0.10 -0.04 3.95 4.04 2zdsA1 SER 50 HB3 0.03 0.03 -0.04 -0.04 3.93 3.91 2zdsA1 TYR 51 H 0.15 0.73 -0.04 -0.55 8.29 8.58 2zdsA1 TYR 51 HA -0.02 0.03 0.34 -0.75 4.56 4.15 2zdsA1 TYR 51 HB2 -0.05 -0.03 0.01 -0.04 3.06 2.96 2zdsA1 TYR 51 HB3 -0.06 0.22 0.03 -0.04 2.98 3.13 2zdsA1 TYR 51 HD2 -0.11 0.04 -0.15 -0.04 7.15 6.89 2zdsA1 TYR 51 HE2 -0.37 0.01 -0.06 -0.04 6.85 6.38 2zdsA1 VAL 52 H 0.14 0.28 -0.08 -0.55 8.24 8.03 2zdsA1 VAL 52 HA 0.02 0.03 0.44 -0.75 4.13 3.87 2zdsA1 VAL 52 HB 0.11 0.06 0.07 -0.04 2.12 2.32 2zdsA1 VAL 52 HG13 0.07 0.07 -0.13 -0.04 0.97 0.94 2zdsA1 VAL 52 HG23 0.23 -0.01 -0.06 -0.04 0.95 1.07 2zdsA1 ASP 53 H 0.02 0.14 -0.36 -0.55 8.40 7.65 2zdsA1 ASP 53 HA 0.13 0.09 0.46 -0.75 4.63 4.55 2zdsA1 ASP 53 HB2 0.03 0.06 0.10 -0.04 2.71 2.86 2zdsA1 ASP 53 HB3 0.04 -0.02 0.08 -0.04 2.70 2.76 2zdsA1 SER 54 H -0.10 0.36 -0.29 -0.55 8.46 7.88 2zdsA1 SER 54 HA -0.07 0.03 0.62 -0.75 4.49 4.31 2zdsA1 SER 54 HB2 -0.11 -0.08 0.10 -0.04 3.95 3.81 2zdsA1 SER 54 HB3 -0.10 0.03 0.12 -0.04 3.93 3.94 2zdsA1 ARG 55 H -0.25 0.38 -0.20 -0.55 8.46 7.83 2zdsA1 ARG 55 HA -0.15 0.01 0.60 -0.75 4.34 4.04 2zdsA1 ARG 55 HB2 -0.27 0.24 0.25 -0.04 1.90 2.08 2zdsA1 ARG 55 HB3 -0.13 -0.04 0.05 -0.04 1.80 1.64 2zdsA1 ARG 55 HG2 -0.42 0.15 0.08 -0.04 1.67 1.43 2zdsA1 ARG 55 HG3 0.30 -0.05 0.04 -0.04 1.67 1.91 2zdsA1 ARG 55 HD2 0.03 -0.04 0.08 -0.04 3.22 3.24 2zdsA1 ARG 55 HD3 -0.01 0.01 0.12 -0.04 3.22 3.29 2zdsA1 HIS 56 H -0.25 0.50 0.05 -0.55 8.41 8.17 2zdsA1 HIS 56 HA -0.07 0.05 0.47 -0.75 4.63 4.32 2zdsA1 HIS 56 HB2 -0.04 0.05 0.18 -0.04 3.26 3.40 2zdsA1 HIS 56 HB3 -0.05 -0.01 0.03 -0.04 3.20 3.13 2zdsA1 HIS 56 HD2 -0.10 -0.06 0.04 -0.04 6.97 6.80 2zdsA1 HIS 56 HE1 -0.01 0.14 0.08 -0.04 7.75 7.91 2zdsA1 GLN 57 H 0.02 0.48 -0.17 -0.55 8.47 8.25 2zdsA1 GLN 57 HA 0.00 0.04 0.36 -0.75 4.36 4.00 2zdsA1 GLN 57 HB2 -0.02 0.02 0.12 -0.04 2.15 2.22 2zdsA1 GLN 57 HB3 -0.02 -0.05 -0.06 -0.04 2.02 1.85 2zdsA1 GLN 57 HG2 -0.00 -0.05 0.04 -0.04 2.40 2.34 2zdsA1 GLN 57 HG3 0.01 0.40 0.13 -0.04 2.39 2.89 2zdsA1 GLN 57 HE21 -0.01 -0.06 -0.07 -0.04 6.97 6.79 2zdsA1 GLN 57 HE22 -0.02 0.06 -0.42 -0.04 7.69 7.27 2zdsA1 LEU 58 H -0.03 0.44 -0.19 -0.55 8.37 8.05 2zdsA1 LEU 58 HA 0.04 0.02 0.56 -0.75 4.35 4.22 2zdsA1 LEU 58 HB2 -0.02 0.02 0.16 -0.04 1.64 1.76 2zdsA1 LEU 58 HB3 -0.04 0.14 0.20 -0.04 1.64 1.90 2zdsA1 LEU 58 HG -0.01 0.03 -0.20 -0.04 1.64 1.42 2zdsA1 LEU 58 HD13 0.12 -0.03 0.05 -0.04 0.93 1.03 2zdsA1 LEU 58 HD23 -0.05 -0.04 -0.07 -0.04 0.89 0.68 2zdsA1 LEU 59 H -0.02 0.62 -0.05 -0.55 8.37 8.38 2zdsA1 LEU 59 HA 0.02 -0.04 0.44 -0.75 4.35 4.01 2zdsA1 LEU 59 HB2 -0.03 0.10 0.11 -0.04 1.64 1.79 2zdsA1 LEU 59 HB3 -0.04 0.26 -0.10 -0.04 1.64 1.72 2zdsA1 LEU 59 HG -0.07 -0.06 -0.07 -0.04 1.64 1.39 2zdsA1 LEU 59 HD13 -0.09 -0.02 -0.06 -0.04 0.93 0.71 2zdsA1 LEU 59 HD23 -0.11 -0.02 -0.26 -0.04 0.89 0.46 2zdsA1 ASP 60 H 0.00 0.79 -0.02 -0.55 8.40 8.63 2zdsA1 ASP 60 HA -0.02 0.07 0.40 -0.75 4.63 4.31 2zdsA1 ASP 60 HB2 -0.02 0.03 0.15 -0.04 2.71 2.82 2zdsA1 ASP 60 HB3 -0.04 -0.07 0.03 -0.04 2.70 2.58 2zdsA1 LYS 61 H -0.02 0.40 -0.41 -0.55 8.42 7.84 2zdsA1 LYS 61 HA -0.15 -0.02 0.42 -0.75 4.32 3.82 2zdsA1 LYS 61 HB2 -0.09 0.18 0.22 -0.04 1.87 2.14 2zdsA1 LYS 61 HB3 -0.10 0.20 0.12 -0.04 1.79 1.97 2zdsA1 LYS 61 HG2 -0.63 -0.01 0.02 -0.04 1.46 0.80 2zdsA1 LYS 61 HG3 -0.22 -0.06 0.08 -0.04 1.46 1.23 2zdsA1 LYS 61 HD2 -0.07 -0.03 0.02 -0.04 1.69 1.57 2zdsA1 LYS 61 HD3 -0.06 0.01 0.02 -0.04 1.68 1.60 2zdsA1 LYS 61 HE2 -0.31 0.01 -0.00 -0.04 2.99 2.64 2zdsA1 LYS 61 HE3 -0.15 -0.01 0.01 -0.04 2.99 2.80 2zdsA1 TYR 62 H 0.08 0.44 -0.38 -0.55 8.29 7.88 2zdsA1 TYR 62 HA -0.04 0.17 0.88 -0.75 4.56 4.81 2zdsA1 TYR 62 HB2 -0.07 0.03 0.03 -0.04 3.06 3.00 2zdsA1 TYR 62 HB3 -0.07 0.03 0.06 -0.04 2.98 2.95 2zdsA1 TYR 62 HD2 -0.07 0.19 -0.02 -0.04 7.15 7.21 2zdsA1 TYR 62 HE2 -0.06 -0.06 0.01 -0.04 6.85 6.69 2zdsA1 GLY 63 H 0.00 0.29 -0.21 -0.55 8.43 7.97 2zdsA1 GLY 63 HA2 -0.00 0.02 0.31 -0.51 4.01 3.82 2zdsA1 GLY 63 HA3 0.02 0.03 0.41 -0.51 4.01 3.96 2zdsA1 LEU 64 H 0.03 0.39 -0.08 -0.55 8.37 8.16 2zdsA1 LEU 64 HA 0.03 0.34 0.64 -0.75 4.35 4.61 2zdsA1 LEU 64 HB2 -0.02 -0.06 0.01 -0.04 1.64 1.53 2zdsA1 LEU 64 HB3 -0.02 -0.10 -0.06 -0.04 1.64 1.42 2zdsA1 LEU 64 HG 0.04 0.09 -0.30 -0.04 1.64 1.43 2zdsA1 LEU 64 HD13 -0.11 -0.02 -0.04 -0.04 0.93 0.72 2zdsA1 LEU 64 HD23 0.05 0.00 -0.38 -0.04 0.89 0.53 2zdsA1 LYS 65 H -0.05 0.48 0.47 -0.55 8.42 8.76 2zdsA1 LYS 65 HA -0.30 0.19 0.84 -0.75 4.32 4.29 2zdsA1 LYS 65 HB2 -0.68 0.04 0.05 -0.04 1.87 1.24 2zdsA1 LYS 65 HB3 -1.38 -0.05 0.05 -0.04 1.79 0.37 2zdsA1 LYS 65 HG2 -0.27 -0.02 -0.01 -0.04 1.46 1.12 2zdsA1 LYS 65 HG3 -0.17 0.06 -0.21 -0.04 1.46 1.10 2zdsA1 LYS 65 HD2 0.25 -0.04 -0.01 -0.04 1.69 1.85 2zdsA1 LYS 65 HD3 0.09 -0.04 -0.03 -0.04 1.68 1.66 2zdsA1 LYS 65 HE2 0.05 -0.06 -0.06 -0.04 2.99 2.88 2zdsA1 LYS 65 HE3 0.01 -0.10 -0.26 -0.04 2.99 2.60 2zdsA1 CYS 66 H -0.65 0.33 0.10 -0.55 8.50 7.74 2zdsA1 CYS 66 HA -0.14 0.15 0.78 -0.75 4.58 4.62 2zdsA1 CYS 66 HB2 -0.15 0.02 -0.04 -0.04 2.97 2.77 2zdsA1 CYS 66 HB3 -0.19 0.03 0.04 -0.04 2.97 2.82 2zdsA1 TRP 67 H 0.35 0.13 0.12 -0.55 7.97 8.02 2zdsA1 TRP 67 HA 0.01 0.28 0.98 -0.75 4.62 5.14 2zdsA1 TRP 67 HB2 0.07 -0.04 0.05 -0.04 3.23 3.26 2zdsA1 TRP 67 HB3 0.03 0.03 0.16 -0.04 3.23 3.41 2zdsA1 TRP 67 HD1 -0.01 0.03 0.05 -0.04 7.22 7.26 2zdsA1 TRP 67 HE1 -0.01 0.04 -0.02 -0.04 10.20 10.16 2zdsA1 TRP 67 HE3 0.05 -0.05 -0.17 -0.04 7.59 7.38 2zdsA1 TRP 67 HZ2 0.01 0.05 -0.05 -0.04 7.44 7.41 2zdsA1 TRP 67 HZ3 0.05 -0.03 -0.34 -0.04 7.13 6.78 2zdsA1 TRP 67 HH2 0.03 0.09 -0.10 -0.04 7.19 7.17 2zdsA1 ALA 68 H 0.10 0.19 0.12 -0.55 8.40 8.25 2zdsA1 ALA 68 HA 0.01 0.30 0.84 -0.75 4.34 4.74 2zdsA1 ALA 68 HB3 -0.07 0.01 -0.13 -0.04 1.41 1.17 2zdsA1 ILE 69 H -0.04 0.54 0.33 -0.55 8.25 8.53 2zdsA1 ILE 69 HA -0.05 0.12 0.79 -0.75 4.18 4.29 2zdsA1 ILE 69 HB -0.10 0.01 0.09 -0.04 1.89 1.84 2zdsA1 ILE 69 HG12 -0.02 0.11 0.06 -0.04 1.49 1.60 2zdsA1 ILE 69 HG13 0.07 -0.09 -0.27 -0.04 1.21 0.88 2zdsA1 ILE 69 HG23 -0.50 -0.00 -0.13 -0.04 0.93 0.26 2zdsA1 ILE 69 HD13 -0.02 0.02 -0.09 -0.04 0.88 0.75 2zdsA1 SER 70 H 0.09 0.64 0.32 -0.55 8.46 8.97 2zdsA1 SER 70 HA 0.00 0.34 1.09 -0.75 4.49 5.17 2zdsA1 SER 70 HB2 0.41 -0.12 -0.02 -0.04 3.95 4.18 2zdsA1 SER 70 HB3 0.04 -0.05 -0.07 -0.04 3.93 3.81 2zdsA1 ASN 71 H 0.10 0.89 0.27 -0.55 8.53 9.25 2zdsA1 ASN 71 HA 0.60 0.10 0.93 -0.75 4.76 5.62 2zdsA1 ASN 71 HB2 0.30 0.08 -0.06 -0.04 2.88 3.16 2zdsA1 ASN 71 HB3 0.32 0.03 0.24 -0.04 2.79 3.34 2zdsA1 ASN 71 HD21 0.23 0.03 0.08 -0.04 7.03 7.34 2zdsA1 ASN 71 HD22 0.25 0.06 0.04 -0.04 7.74 8.04 2zdsA1 HIS 72 H 0.39 0.19 -0.07 -0.55 8.41 8.38 2zdsA1 HIS 72 HA -0.04 -0.08 0.51 -0.75 4.63 4.27 2zdsA1 HIS 72 HB2 -0.02 0.01 -0.02 -0.04 3.26 3.19 2zdsA1 HIS 72 HB3 -0.63 0.08 -0.08 -0.04 3.20 2.53 2zdsA1 HIS 72 HD2 -2.31 0.07 -0.18 -0.04 6.97 4.51 2zdsA1 HIS 72 HE1 -0.62 0.01 -0.15 -0.04 7.75 6.94 2zdsA1 LEU 73 H 0.01 0.07 -0.18 -0.55 8.37 7.72 2zdsA1 LEU 73 HA -0.00 0.10 0.29 -0.75 4.35 3.98 2zdsA1 LEU 73 HB2 -0.31 -0.02 0.09 -0.04 1.64 1.36 2zdsA1 LEU 73 HB3 -0.27 0.26 0.06 -0.04 1.64 1.65 2zdsA1 LEU 73 HG -1.68 -0.16 0.02 -0.04 1.64 -0.21 2zdsA1 LEU 73 HD13 -1.51 0.03 0.02 -0.04 0.93 -0.57 2zdsA1 LEU 73 HD23 -0.33 -0.01 -0.07 -0.04 0.89 0.44 2zdsA1 VAL 74 H 0.15 0.03 -0.13 -0.55 8.24 7.74 2zdsA1 VAL 74 HA 0.15 0.13 0.54 -0.75 4.13 4.19 2zdsA1 VAL 74 HB 0.20 -0.00 0.09 -0.04 2.12 2.37 2zdsA1 VAL 74 HG13 0.13 0.01 -0.10 -0.04 0.97 0.97 2zdsA1 VAL 74 HG23 0.13 -0.00 0.05 -0.04 0.95 1.09 2zdsA1 GLY 75 H 0.30 0.38 -0.08 -0.55 8.43 8.47 2zdsA1 GLY 75 HA2 0.46 0.06 0.38 -0.51 4.01 4.40 2zdsA1 GLY 75 HA3 0.49 0.10 0.33 -0.51 4.01 4.42 2zdsA1 GLN 76 H 0.35 0.50 -0.35 -0.55 8.47 8.42 2zdsA1 GLN 76 HA 0.26 -0.17 0.19 -0.75 4.36 3.88 2zdsA1 GLN 76 HB2 0.30 0.09 0.07 -0.04 2.15 2.57 2zdsA1 GLN 76 HB3 0.22 0.16 -0.01 -0.04 2.02 2.35 2zdsA1 GLN 76 HG2 0.03 0.00 -0.05 -0.04 2.40 2.34 2zdsA1 GLN 76 HG3 0.22 -0.03 -0.11 -0.04 2.39 2.43 2zdsA1 GLN 76 HE21 -0.19 0.21 0.03 -0.04 6.97 6.99 2zdsA1 GLN 76 HE22 0.04 -0.03 0.06 -0.04 7.69 7.71 2zdsA1 ALA 77 H 0.25 0.36 -0.48 -0.55 8.40 7.99 2zdsA1 ALA 77 HA 0.17 -0.01 0.35 -0.75 4.34 4.09 2zdsA1 ALA 77 HB3 0.19 0.02 -0.00 -0.04 1.41 1.58 2zdsA1 VAL 78 H 0.26 0.46 -0.43 -0.55 8.24 7.98 2zdsA1 VAL 78 HA 0.07 0.09 0.51 -0.75 4.13 4.04 2zdsA1 VAL 78 HB 0.54 0.19 0.16 -0.04 2.12 2.96 2zdsA1 VAL 78 HG13 -0.22 -0.01 -0.10 -0.04 0.97 0.60 2zdsA1 VAL 78 HG23 -0.02 -0.03 -0.10 -0.04 0.95 0.77 2zdsA1 CYS 79 H 0.27 0.36 0.08 -0.55 8.50 8.66 2zdsA1 CYS 79 HA 0.16 0.25 0.75 -0.75 4.58 4.99 2zdsA1 CYS 79 HB2 0.25 0.11 -0.48 -0.04 2.97 2.81 2zdsA1 CYS 79 HB3 0.18 -0.29 -0.18 -0.04 2.97 2.65 2zdsA1 ASP 80 H 0.13 0.25 -0.21 -0.55 8.40 8.02 2zdsA1 ASP 80 HA 0.13 -0.04 0.31 -0.75 4.63 4.27 2zdsA1 ASP 80 HB2 0.08 0.13 0.10 -0.04 2.71 2.97 2zdsA1 ASP 80 HB3 0.01 0.04 -0.12 -0.04 2.70 2.59 2zdsA1 ALA 81 H 0.10 0.21 0.24 -0.55 8.40 8.40 2zdsA1 ALA 81 HA 0.02 0.13 0.59 -0.75 4.34 4.33 2zdsA1 ALA 81 HB3 0.03 -0.02 0.17 -0.04 1.41 1.55 2zdsA1 ILE 82 H 0.00 0.07 -0.08 -0.55 8.25 7.70 2zdsA1 ILE 82 HA -0.03 0.19 0.82 -0.75 4.18 4.40 2zdsA1 ILE 82 HB 0.06 -0.05 0.13 -0.04 1.89 1.99 2zdsA1 ILE 82 HG12 -0.23 -0.10 -0.01 -0.04 1.49 1.10 2zdsA1 ILE 82 HG13 -0.14 0.02 -0.00 -0.04 1.21 1.05 2zdsA1 ILE 82 HG23 0.03 -0.00 -0.09 -0.04 0.93 0.83 2zdsA1 ILE 82 HD13 -0.25 0.05 -0.13 -0.04 0.88 0.50 2zdsA1 ILE 83 H -0.03 0.26 0.07 -0.55 8.25 8.00 2zdsA1 ILE 83 HA -0.40 0.08 0.83 -0.75 4.18 3.94 2zdsA1 ILE 83 HB -0.06 -0.06 0.14 -0.04 1.89 1.87 2zdsA1 ILE 83 HG12 -0.13 -0.03 -0.49 -0.04 1.49 0.79 2zdsA1 ILE 83 HG13 -0.10 0.06 -0.03 -0.04 1.21 1.11 2zdsA1 ILE 83 HG23 0.08 0.00 -0.10 -0.04 0.93 0.87 2zdsA1 ILE 83 HD13 -0.34 0.03 -0.06 -0.04 0.88 0.46 2zdsA1 ASP 84 H 0.47 0.10 0.16 -0.55 8.40 8.58 2zdsA1 ASP 84 HA 0.34 0.25 0.68 -0.75 4.63 5.14 2zdsA1 ASP 84 HB2 0.13 -0.07 0.16 -0.04 2.71 2.89 2zdsA1 ASP 84 HB3 0.14 0.18 -0.26 -0.04 2.70 2.72 2zdsA1 GLU 85 H 0.07 0.24 0.14 -0.55 8.60 8.50 2zdsA1 GLU 85 HA -0.29 0.10 0.33 -0.75 4.29 3.67 2zdsA1 GLU 85 HB2 -0.12 0.06 0.09 -0.04 2.09 2.09 2zdsA1 GLU 85 HB3 -0.03 0.05 0.12 -0.04 1.99 2.09 2zdsA1 GLU 85 HG2 -0.02 -0.11 -0.07 -0.04 2.34 2.10 2zdsA1 GLU 85 HG3 -0.05 0.05 -0.16 -0.04 2.34 2.14 2zdsA1 ARG 86 H 0.02 0.05 -0.29 -0.55 8.46 7.69 2zdsA1 ARG 86 HA -0.10 0.14 0.50 -0.75 4.34 4.12 2zdsA1 ARG 86 HB2 -0.14 -0.03 0.01 -0.04 1.90 1.71 2zdsA1 ARG 86 HB3 -0.16 0.06 -0.01 -0.04 1.80 1.64 2zdsA1 ARG 86 HG2 -0.03 0.06 -0.01 -0.04 1.67 1.65 2zdsA1 ARG 86 HG3 -0.02 -0.04 -0.01 -0.04 1.67 1.55 2zdsA1 ARG 86 HD2 0.04 0.03 -0.02 -0.04 3.22 3.23 2zdsA1 ARG 86 HD3 0.07 -0.09 -0.02 -0.04 3.22 3.13 2zdsA1 HIS 87 H 0.16 0.05 -0.15 -0.55 8.41 7.92 2zdsA1 HIS 87 HA 0.00 0.12 0.57 -0.75 4.63 4.56 2zdsA1 HIS 87 HB2 0.29 0.06 0.13 -0.04 3.26 3.70 2zdsA1 HIS 87 HB3 0.21 0.06 -0.01 -0.04 3.20 3.42 2zdsA1 HIS 87 HD2 0.11 0.02 -0.14 -0.04 6.97 6.92 2zdsA1 HIS 87 HE1 0.08 0.15 0.10 -0.04 7.75 8.03 2zdsA1 GLU 88 H -0.49 0.38 -0.05 -0.55 8.60 7.89 2zdsA1 GLU 88 HA -0.88 0.03 0.35 -0.75 4.29 3.04 2zdsA1 GLU 88 HB2 -2.94 0.00 0.00 -0.04 2.09 -0.89 2zdsA1 GLU 88 HB3 -0.81 0.01 0.09 -0.04 1.99 1.24 2zdsA1 GLU 88 HG2 -0.58 0.04 -0.23 -0.04 2.34 1.53 2zdsA1 GLU 88 HG3 -1.35 -0.01 -0.00 -0.04 2.34 0.93 2zdsA1 ALA 89 H -0.25 0.33 -0.49 -0.55 8.40 7.44 2zdsA1 ALA 89 HA -0.18 0.07 0.42 -0.75 4.34 3.90 2zdsA1 ALA 89 HB3 -0.12 0.00 0.09 -0.04 1.41 1.34 2zdsA1 ILE 90 H -0.12 0.35 -0.38 -0.55 8.25 7.54 2zdsA1 ILE 90 HA -0.16 0.17 0.83 -0.75 4.18 4.27 2zdsA1 ILE 90 HB -0.21 -0.15 0.11 -0.04 1.89 1.60 2zdsA1 ILE 90 HG12 -0.11 0.16 0.13 -0.04 1.49 1.63 2zdsA1 ILE 90 HG13 -0.02 0.12 -0.10 -0.04 1.21 1.17 2zdsA1 ILE 90 HG23 -0.14 -0.00 -0.11 -0.04 0.93 0.64 2zdsA1 ILE 90 HD13 -0.05 -0.05 -0.01 -0.04 0.88 0.74 2zdsA1 LEU 91 H -0.06 0.30 -0.21 -0.55 8.37 7.85 2zdsA1 LEU 91 HA 0.03 0.13 0.85 -0.75 4.35 4.61 2zdsA1 LEU 91 HB2 0.15 0.03 -0.03 -0.04 1.64 1.75 2zdsA1 LEU 91 HB3 0.16 -0.03 -0.05 -0.04 1.64 1.68 2zdsA1 LEU 91 HG 0.12 0.03 -0.20 -0.04 1.64 1.55 2zdsA1 LEU 91 HD13 0.32 -0.02 -0.20 -0.04 0.93 0.99 2zdsA1 LEU 91 HD23 0.12 0.01 -0.09 -0.04 0.89 0.89 2zdsA1 PRO 92 HA 0.05 0.10 0.58 -0.51 4.44 4.66 2zdsA1 PRO 92 HB2 0.07 -0.15 0.05 -0.04 2.28 2.20 2zdsA1 PRO 92 HB3 0.05 0.05 0.14 -0.04 2.02 2.22 2zdsA1 PRO 92 HG2 0.08 0.04 0.11 -0.04 2.03 2.21 2zdsA1 PRO 92 HG3 0.08 0.09 0.12 -0.04 2.03 2.28 2zdsA1 PRO 92 HD2 0.09 0.06 0.20 -0.04 3.68 4.00 2zdsA1 PRO 92 HD3 0.06 0.22 0.22 -0.04 3.65 4.11 2zdsA1 ALA 93 H 0.06 0.19 0.18 -0.55 8.40 8.28 2zdsA1 ALA 93 HA 0.18 0.13 0.48 -0.75 4.34 4.38 2zdsA1 ALA 93 HB3 0.08 0.03 0.10 -0.04 1.41 1.57 2zdsA1 ARG 94 H 0.07 0.06 -0.22 -0.55 8.46 7.81 2zdsA1 ARG 94 HA 0.05 0.11 0.42 -0.75 4.34 4.16 2zdsA1 ARG 94 HB2 0.02 0.06 0.05 -0.04 1.90 1.99 2zdsA1 ARG 94 HB3 0.03 -0.02 0.06 -0.04 1.80 1.83 2zdsA1 ARG 94 HG2 0.05 -0.12 -0.03 -0.04 1.67 1.52 2zdsA1 ARG 94 HG3 0.04 0.10 -0.29 -0.04 1.67 1.49 2zdsA1 ARG 94 HD2 0.01 0.06 -0.06 -0.04 3.22 3.19 2zdsA1 ARG 94 HD3 0.01 0.01 -0.01 -0.04 3.22 3.19 2zdsA1 ILE 95 H 0.11 0.27 -0.40 -0.55 8.25 7.67 2zdsA1 ILE 95 HA 0.05 0.14 0.62 -0.75 4.18 4.24 2zdsA1 ILE 95 HB 0.13 0.04 0.04 -0.04 1.89 2.06 2zdsA1 ILE 95 HG12 0.05 0.09 -0.12 -0.04 1.49 1.46 2zdsA1 ILE 95 HG13 0.06 -0.14 -0.10 -0.04 1.21 1.00 2zdsA1 ILE 95 HG23 0.10 -0.01 -0.19 -0.04 0.93 0.79 2zdsA1 ILE 95 HD13 0.08 -0.01 0.01 -0.04 0.88 0.93 2zdsA1 TRP 96 H 0.29 0.39 -0.07 -0.55 7.97 8.03 2zdsA1 TRP 96 HA 0.02 -0.01 0.32 -0.75 4.62 4.19 2zdsA1 TRP 96 HB2 0.02 0.03 -0.01 -0.04 3.23 3.23 2zdsA1 TRP 96 HB3 0.01 0.05 0.09 -0.04 3.23 3.34 2zdsA1 TRP 96 HD1 0.01 0.09 -0.15 -0.04 7.22 7.13 2zdsA1 TRP 96 HE1 0.01 0.02 -0.18 -0.04 10.20 10.01 2zdsA1 TRP 96 HE3 0.05 0.05 -0.18 -0.04 7.59 7.46 2zdsA1 TRP 96 HZ2 0.02 0.02 -0.10 -0.04 7.44 7.34 2zdsA1 TRP 96 HZ3 0.05 -0.08 -0.11 -0.04 7.13 6.95 2zdsA1 TRP 96 HH2 0.03 -0.06 -0.21 -0.04 7.19 6.91 2zdsA1 GLY 97 H 0.14 0.63 -0.21 -0.55 8.43 8.45 2zdsA1 GLY 97 HA2 -0.00 0.06 0.24 -0.51 4.01 3.79 2zdsA1 GLY 97 HA3 -0.11 -0.02 0.32 -0.51 4.01 3.69 2zdsA1 ASP 98 H -0.23 0.10 0.23 -0.55 8.40 7.95 2zdsA1 ASP 98 HA -0.13 0.16 0.54 -0.75 4.63 4.44 2zdsA1 ASP 98 HB2 -0.11 0.04 0.11 -0.04 2.71 2.71 2zdsA1 ASP 98 HB3 -0.10 0.03 0.10 -0.04 2.70 2.68 2zdsA1 GLY 99 H -0.70 0.32 0.09 -0.55 8.43 7.59 2zdsA1 GLY 99 HA2 -2.33 0.09 0.16 -0.51 4.01 1.42 2zdsA1 GLY 99 HA3 -0.95 0.13 0.42 -0.51 4.01 3.10 2zdsA1 ASP 100 H -0.34 -0.03 -0.16 -0.55 8.40 7.32 2zdsA1 ASP 100 HA -0.17 0.11 0.59 -0.75 4.63 4.40 2zdsA1 ASP 100 HB2 -0.13 0.11 0.08 -0.04 2.71 2.73 2zdsA1 ASP 100 HB3 -0.16 -0.03 0.15 -0.04 2.70 2.62 2zdsA1 ALA 101 H -0.12 0.20 0.23 -0.55 8.40 8.16 2zdsA1 ALA 101 HA -0.12 0.08 0.38 -0.75 4.34 3.92 2zdsA1 ALA 101 HB3 -0.06 0.04 0.15 -0.04 1.41 1.50 2zdsA1 GLU 102 H -0.07 0.07 -0.04 -0.55 8.60 8.02 2zdsA1 GLU 102 HA -0.04 0.17 0.47 -0.75 4.29 4.13 2zdsA1 GLU 102 HB2 -0.04 0.02 0.11 -0.04 2.09 2.14 2zdsA1 GLU 102 HB3 -0.05 -0.06 0.06 -0.04 1.99 1.90 2zdsA1 GLU 102 HG2 -0.03 0.01 -0.00 -0.04 2.34 2.28 2zdsA1 GLU 102 HG3 -0.04 -0.00 -0.11 -0.04 2.34 2.15 2zdsA1 GLY 103 H -0.10 -0.02 -0.29 -0.55 8.43 7.47 2zdsA1 GLY 103 HA2 -0.07 0.03 0.43 -0.51 4.01 3.88 2zdsA1 GLY 103 HA3 -0.11 -0.02 0.30 -0.51 4.01 3.66 2zdsA1 VAL 104 H -0.17 0.57 -0.02 -0.55 8.24 8.07 2zdsA1 VAL 104 HA -0.05 0.13 0.74 -0.75 4.13 4.19 2zdsA1 VAL 104 HB -0.00 0.12 0.04 -0.04 2.12 2.24 2zdsA1 VAL 104 HG13 -0.36 0.04 -0.05 -0.04 0.97 0.56 2zdsA1 VAL 104 HG23 0.06 -0.02 -0.17 -0.04 0.95 0.78 2zdsA1 ARG 105 H -0.05 0.53 -0.07 -0.55 8.46 8.32 2zdsA1 ARG 105 HA 0.01 0.19 0.52 -0.75 4.34 4.31 2zdsA1 ARG 105 HB2 -0.03 0.00 0.25 -0.04 1.90 2.08 2zdsA1 ARG 105 HB3 -0.01 -0.04 0.00 -0.04 1.80 1.70 2zdsA1 ARG 105 HG2 0.03 0.27 0.01 -0.04 1.67 1.94 2zdsA1 ARG 105 HG3 -0.02 -0.03 0.03 -0.04 1.67 1.60 2zdsA1 ARG 105 HD2 -0.01 -0.16 -0.01 -0.04 3.22 3.00 2zdsA1 ARG 105 HD3 0.02 0.03 -0.01 -0.04 3.22 3.21 2zdsA1 GLN 106 H -0.04 0.50 -0.15 -0.55 8.47 8.23 2zdsA1 GLN 106 HA -0.06 0.08 0.58 -0.75 4.36 4.20 2zdsA1 GLN 106 HB2 -0.04 0.04 0.08 -0.04 2.15 2.18 2zdsA1 GLN 106 HB3 -0.05 -0.06 0.06 -0.04 2.02 1.93 2zdsA1 GLN 106 HG2 -0.04 0.39 0.15 -0.04 2.40 2.85 2zdsA1 GLN 106 HG3 -0.04 -0.11 -0.00 -0.04 2.39 2.19 2zdsA1 GLN 106 HE21 -0.03 -0.01 -0.01 -0.04 6.97 6.88 2zdsA1 GLN 106 HE22 -0.03 -0.06 -0.04 -0.04 7.69 7.52 2zdsA1 ARG 107 H -0.03 0.58 0.02 -0.55 8.46 8.47 2zdsA1 ARG 107 HA -0.02 -0.01 0.52 -0.75 4.34 4.07 2zdsA1 ARG 107 HB2 -0.01 0.19 0.22 -0.04 1.90 2.26 2zdsA1 ARG 107 HB3 0.01 -0.10 0.06 -0.04 1.80 1.73 2zdsA1 ARG 107 HG2 -0.02 -0.09 0.05 -0.04 1.67 1.57 2zdsA1 ARG 107 HG3 -0.04 0.08 0.08 -0.04 1.67 1.75 2zdsA1 ARG 107 HD2 -0.01 0.12 0.10 -0.04 3.22 3.39 2zdsA1 ARG 107 HD3 -0.03 -0.11 0.01 -0.04 3.22 3.05 2zdsA1 ALA 108 H 0.00 0.74 -0.14 -0.55 8.40 8.46 2zdsA1 ALA 108 HA 0.05 -0.07 0.48 -0.75 4.34 4.04 2zdsA1 ALA 108 HB3 0.08 0.08 -0.05 -0.04 1.41 1.47 2zdsA1 ALA 109 H -0.07 0.48 -0.23 -0.55 8.40 8.03 2zdsA1 ALA 109 HA -0.26 -0.01 0.40 -0.75 4.34 3.72 2zdsA1 ALA 109 HB3 -0.20 0.06 0.15 -0.04 1.41 1.39 2zdsA1 ALA 110 H -0.06 0.46 -0.26 -0.55 8.40 7.99 2zdsA1 ALA 110 HA -0.06 0.04 0.43 -0.75 4.34 3.99 2zdsA1 ALA 110 HB3 -0.03 0.04 0.10 -0.04 1.41 1.47 2zdsA1 GLU 111 H -0.01 0.46 -0.31 -0.55 8.60 8.19 2zdsA1 GLU 111 HA 0.01 -0.00 0.48 -0.75 4.29 4.03 2zdsA1 GLU 111 HB2 0.03 0.03 0.09 -0.04 2.09 2.20 2zdsA1 GLU 111 HB3 0.05 0.16 0.19 -0.04 1.99 2.34 2zdsA1 GLU 111 HG2 0.09 -0.03 0.02 -0.04 2.34 2.38 2zdsA1 GLU 111 HG3 0.09 -0.04 -0.09 -0.04 2.34 2.26 2zdsA1 ILE 112 H -0.01 0.54 -0.15 -0.55 8.25 8.08 2zdsA1 ILE 112 HA 0.13 -0.04 0.54 -0.75 4.18 4.05 2zdsA1 ILE 112 HB -0.18 0.15 0.09 -0.04 1.89 1.91 2zdsA1 ILE 112 HG12 0.05 0.26 -0.03 -0.04 1.49 1.73 2zdsA1 ILE 112 HG13 0.04 0.04 -0.05 -0.04 1.21 1.19 2zdsA1 ILE 112 HG23 0.27 -0.01 -0.10 -0.04 0.93 1.05 2zdsA1 ILE 112 HD13 0.30 -0.06 -0.06 -0.04 0.88 1.01 2zdsA1 LYS 113 H -0.07 0.57 -0.07 -0.55 8.42 8.30 2zdsA1 LYS 113 HA -0.09 0.06 0.61 -0.75 4.32 4.14 2zdsA1 LYS 113 HB2 -0.05 0.15 0.17 -0.04 1.87 2.10 2zdsA1 LYS 113 HB3 -0.05 -0.04 0.05 -0.04 1.79 1.71 2zdsA1 LYS 113 HG2 -0.05 0.02 0.16 -0.04 1.46 1.55 2zdsA1 LYS 113 HG3 -0.10 0.18 0.16 -0.04 1.46 1.65 2zdsA1 LYS 113 HD2 -0.07 -0.04 0.00 -0.04 1.69 1.54 2zdsA1 LYS 113 HD3 -0.05 -0.03 0.02 -0.04 1.68 1.58 2zdsA1 LYS 113 HE2 -0.06 0.15 -0.18 -0.04 2.99 2.85 2zdsA1 LYS 113 HE3 -0.12 -0.00 -0.18 -0.04 2.99 2.65 2zdsA1 ASP 114 H -0.02 0.44 -0.23 -0.55 8.40 8.04 2zdsA1 ASP 114 HA -0.03 0.06 0.43 -0.75 4.63 4.34 2zdsA1 ASP 114 HB2 0.01 0.11 0.14 -0.04 2.71 2.92 2zdsA1 ASP 114 HB3 0.00 -0.09 -0.10 -0.04 2.70 2.47 2zdsA1 THR 115 H 0.04 0.45 -0.17 -0.55 8.28 8.05 2zdsA1 THR 115 HA 0.14 -0.05 0.53 -0.75 4.39 4.25 2zdsA1 THR 115 HB 0.18 0.15 0.10 -0.04 4.32 4.71 2zdsA1 THR 115 HG23 0.24 -0.03 -0.11 -0.04 1.22 1.27 2zdsA1 ALA 116 H -0.18 0.59 -0.14 -0.55 8.40 8.12 2zdsA1 ALA 116 HA -0.30 0.00 0.38 -0.75 4.34 3.67 2zdsA1 ALA 116 HB3 -1.07 0.06 -0.01 -0.04 1.41 0.36 2zdsA1 ARG 117 H -0.09 0.30 -0.35 -0.55 8.46 7.76 2zdsA1 ARG 117 HA -0.04 0.09 0.37 -0.75 4.34 4.01 2zdsA1 ARG 117 HB2 -0.02 0.03 0.13 -0.04 1.90 2.00 2zdsA1 ARG 117 HB3 -0.01 -0.02 0.00 -0.04 1.80 1.73 2zdsA1 ARG 117 HG2 -0.04 0.01 -0.04 -0.04 1.67 1.56 2zdsA1 ARG 117 HG3 -0.07 0.26 0.02 -0.04 1.67 1.83 2zdsA1 ARG 117 HD2 -0.03 -0.06 -0.07 -0.04 3.22 3.02 2zdsA1 ARG 117 HD3 -0.02 -0.01 -0.04 -0.04 3.22 3.11 2zdsA1 ALA 118 H 0.05 0.71 -0.04 -0.55 8.40 8.57 2zdsA1 ALA 118 HA 0.13 0.04 0.39 -0.75 4.34 4.15 2zdsA1 ALA 118 HB3 0.24 -0.01 0.08 -0.04 1.41 1.68 2zdsA1 ALA 119 H 0.10 0.67 -0.14 -0.55 8.40 8.48 2zdsA1 ALA 119 HA -0.03 -0.10 0.43 -0.75 4.34 3.88 2zdsA1 ALA 119 HB3 0.03 0.03 -0.05 -0.04 1.41 1.39 2zdsA1 ALA 120 H 0.01 0.51 -0.20 -0.55 8.40 8.18 2zdsA1 ALA 120 HA 0.03 0.12 0.43 -0.75 4.34 4.17 2zdsA1 ALA 120 HB3 0.01 0.03 0.11 -0.04 1.41 1.52 2zdsA1 ARG 121 H 0.06 0.40 -0.19 -0.55 8.46 8.18 2zdsA1 ARG 121 HA 0.06 0.04 0.47 -0.75 4.34 4.16 2zdsA1 ARG 121 HB2 0.11 0.07 0.15 -0.04 1.90 2.19 2zdsA1 ARG 121 HB3 0.10 -0.09 -0.04 -0.04 1.80 1.72 2zdsA1 ARG 121 HG2 0.05 -0.04 0.05 -0.04 1.67 1.68 2zdsA1 ARG 121 HG3 0.04 0.08 0.03 -0.04 1.67 1.78 2zdsA1 ARG 121 HD2 0.06 0.02 -0.05 -0.04 3.22 3.20 2zdsA1 ARG 121 HD3 0.05 -0.04 0.03 -0.04 3.22 3.22 2zdsA1 LEU 122 H 0.11 0.52 -0.09 -0.55 8.37 8.36 2zdsA1 LEU 122 HA 0.08 -0.06 0.57 -0.75 4.35 4.18 2zdsA1 LEU 122 HB2 0.05 -0.02 0.11 -0.04 1.64 1.74 2zdsA1 LEU 122 HB3 -0.06 0.09 0.12 -0.04 1.64 1.75 2zdsA1 LEU 122 HG -0.11 0.06 -0.12 -0.04 1.64 1.43 2zdsA1 LEU 122 HD13 -0.26 -0.03 0.05 -0.04 0.93 0.65 2zdsA1 LEU 122 HD23 -0.61 -0.04 -0.10 -0.04 0.89 0.10 2zdsA1 GLY 123 H 0.05 0.40 -0.32 -0.55 8.43 8.01 2zdsA1 GLY 123 HA2 0.03 0.10 0.27 -0.51 4.01 3.90 2zdsA1 GLY 123 HA3 0.04 0.06 0.73 -0.51 4.01 4.33 2zdsA1 VAL 124 H 0.00 0.30 0.01 -0.55 8.24 8.00 2zdsA1 VAL 124 HA 0.03 0.21 0.90 -0.75 4.13 4.52 2zdsA1 VAL 124 HB 0.03 0.20 -0.25 -0.04 2.12 2.07 2zdsA1 VAL 124 HG13 -0.08 0.02 -0.33 -0.04 0.97 0.54 2zdsA1 VAL 124 HG23 -0.04 -0.06 -0.15 -0.04 0.95 0.66 2zdsA1 ASP 125 H 0.08 0.20 0.18 -0.55 8.40 8.31 2zdsA1 ASP 125 HA 0.06 0.35 1.08 -0.75 4.63 5.37 2zdsA1 ASP 125 HB2 0.02 -0.03 0.22 -0.04 2.71 2.89 2zdsA1 ASP 125 HB3 0.04 0.09 0.09 -0.04 2.70 2.87 2zdsA1 THR 126 H 0.07 0.16 -0.07 -0.55 8.28 7.89 2zdsA1 THR 126 HA 0.12 0.33 1.03 -0.75 4.39 5.11 2zdsA1 THR 126 HB 0.06 -0.02 0.08 -0.04 4.32 4.39 2zdsA1 THR 126 HG23 0.03 -0.02 -0.33 -0.04 1.22 0.86 2zdsA1 VAL 127 H 0.25 0.82 0.29 -0.55 8.24 9.05 2zdsA1 VAL 127 HA 0.08 0.25 0.93 -0.75 4.13 4.64 2zdsA1 VAL 127 HB 0.74 0.02 0.05 -0.04 2.12 2.88 2zdsA1 VAL 127 HG13 0.37 -0.04 -0.24 -0.04 0.97 1.02 2zdsA1 VAL 127 HG23 0.25 0.00 -0.24 -0.04 0.95 0.92 2zdsA1 ILE 128 H -0.11 0.65 0.28 -0.55 8.25 8.53 2zdsA1 ILE 128 HA -0.40 0.32 0.89 -0.75 4.18 4.24 2zdsA1 ILE 128 HB -0.28 -0.10 0.02 -0.04 1.89 1.48 2zdsA1 ILE 128 HG12 -0.29 -0.05 -0.16 -0.04 1.49 0.95 2zdsA1 ILE 128 HG13 -0.29 0.09 -0.11 -0.04 1.21 0.85 2zdsA1 ILE 128 HG23 -0.49 -0.01 -0.16 -0.04 0.93 0.22 2zdsA1 ILE 128 HD13 -0.73 0.01 -0.22 -0.04 0.88 -0.10 2zdsA1 GLY 129 H -0.63 0.63 0.23 -0.55 8.43 8.11 2zdsA1 GLY 129 HA2 -0.50 -0.12 0.25 -0.51 4.01 3.14 2zdsA1 GLY 129 HA3 0.25 0.15 0.23 -0.51 4.01 4.13 2zdsA1 PHE 130 H 0.34 0.19 0.17 -0.55 8.34 8.49 2zdsA1 PHE 130 HA 0.19 0.18 0.74 -0.75 4.62 4.98 2zdsA1 PHE 130 HB2 0.19 0.08 0.09 -0.04 3.15 3.46 2zdsA1 PHE 130 HB3 0.14 -0.07 -0.03 -0.04 3.06 3.05 2zdsA1 PHE 130 HD2 -0.03 0.10 0.06 -0.04 7.28 7.37 2zdsA1 PHE 130 HE2 -0.23 0.08 -0.07 -0.04 7.38 7.12 2zdsA1 PHE 130 HZ -0.89 -0.01 -0.09 -0.04 7.32 6.30 2zdsA1 THR 131 H 0.29 0.03 0.15 -0.55 8.28 8.21 2zdsA1 THR 131 HA 0.33 0.23 0.79 -0.75 4.39 5.00 2zdsA1 THR 131 HB -0.21 0.04 0.05 -0.04 4.32 4.16 2zdsA1 THR 131 HG23 -0.93 0.00 -0.13 -0.04 1.22 0.13 2zdsA1 GLY 132 H 0.13 -0.13 0.12 -0.55 8.43 8.01 2zdsA1 GLY 132 HA2 0.07 0.10 0.43 -0.51 4.01 4.10 2zdsA1 GLY 132 HA3 0.18 0.22 0.76 -0.51 4.01 4.66 2zdsA1 SER 133 H 0.13 0.24 -0.08 -0.55 8.46 8.20 2zdsA1 SER 133 HA 0.07 0.15 0.52 -0.75 4.49 4.48 2zdsA1 SER 133 HB2 0.06 0.06 -0.53 -0.04 3.95 3.51 2zdsA1 SER 133 HB3 0.17 0.12 -0.30 -0.04 3.93 3.88 2zdsA1 ALA 134 H 0.08 0.23 0.12 -0.55 8.40 8.29 2zdsA1 ALA 134 HA 0.14 0.05 0.80 -0.75 4.34 4.58 2zdsA1 ALA 134 HB3 0.09 0.05 0.12 -0.04 1.41 1.62 2zdsA1 ILE 135 H 0.08 -0.01 -0.22 -0.55 8.25 7.55 2zdsA1 ILE 135 HA -0.06 0.30 0.91 -0.75 4.18 4.57 2zdsA1 ILE 135 HB -0.06 0.08 0.06 -0.04 1.89 1.93 2zdsA1 ILE 135 HG12 -0.13 -0.12 -0.03 -0.04 1.49 1.17 2zdsA1 ILE 135 HG13 -0.04 0.02 -0.17 -0.04 1.21 0.98 2zdsA1 ILE 135 HG23 -0.01 0.02 -0.09 -0.04 0.93 0.81 2zdsA1 ILE 135 HD13 -0.26 0.06 -0.01 -0.04 0.88 0.63 2zdsA1 TRP 136 H 0.28 0.06 -0.22 -0.55 7.97 7.54 2zdsA1 TRP 136 HA -0.05 0.10 0.29 -0.75 4.62 4.20 2zdsA1 TRP 136 HB2 -0.00 0.05 -0.17 -0.04 3.23 3.06 2zdsA1 TRP 136 HB3 0.07 0.03 0.02 -0.04 3.23 3.30 2zdsA1 TRP 136 HD1 0.05 0.02 -0.13 -0.04 7.22 7.12 2zdsA1 TRP 136 HE1 -0.00 0.05 -0.08 -0.04 10.20 10.13 2zdsA1 TRP 136 HE3 -0.33 0.14 -0.02 -0.04 7.59 7.34 2zdsA1 TRP 136 HZ2 -0.01 0.07 -0.02 -0.04 7.44 7.44 2zdsA1 TRP 136 HZ3 -1.83 0.06 -0.00 -0.04 7.13 5.32 2zdsA1 TRP 136 HH2 -0.14 0.08 0.01 -0.04 7.19 7.10 2zdsA1 HIS 137 H 0.38 0.11 -0.25 -0.55 8.41 8.10 2zdsA1 HIS 137 HA -0.27 0.05 0.34 -0.75 4.63 4.00 2zdsA1 HIS 137 HB2 -0.00 0.05 0.08 -0.04 3.26 3.35 2zdsA1 HIS 137 HB3 0.09 -0.06 0.06 -0.04 3.20 3.25 2zdsA1 HIS 137 HD2 -0.01 0.03 -0.13 -0.04 6.97 6.81 2zdsA1 HIS 137 HE1 0.03 0.37 0.08 -0.04 7.75 8.19 2zdsA1 LEU 138 H -0.47 0.45 -0.68 -0.55 8.37 7.12 2zdsA1 LEU 138 HA -0.28 0.18 0.70 -0.75 4.35 4.20 2zdsA1 LEU 138 HB2 -0.23 0.13 0.07 -0.04 1.64 1.57 2zdsA1 LEU 138 HB3 -0.18 -0.01 0.13 -0.04 1.64 1.54 2zdsA1 LEU 138 HG -0.70 -0.10 -0.01 -0.04 1.64 0.78 2zdsA1 LEU 138 HD13 -0.11 -0.02 0.03 -0.04 0.93 0.79 2zdsA1 LEU 138 HD23 -0.25 0.02 -0.08 -0.04 0.89 0.54 2zdsA1 VAL 139 H -0.55 0.45 -0.17 -0.55 8.24 7.42 2zdsA1 VAL 139 HA -0.24 0.01 0.23 -0.75 4.13 3.37 2zdsA1 VAL 139 HB -1.21 0.08 0.16 -0.04 2.12 1.11 2zdsA1 VAL 139 HG13 -0.75 -0.01 -0.03 -0.04 0.97 0.14 2zdsA1 VAL 139 HG23 -0.37 -0.03 -0.03 -0.04 0.95 0.48 2zdsA1 ALA 140 H -0.20 0.10 -0.24 -0.55 8.40 7.51 2zdsA1 ALA 140 HA -0.05 0.04 0.45 -0.75 4.34 4.03 2zdsA1 ALA 140 HB3 -0.03 0.01 -0.01 -0.04 1.41 1.34 2zdsA1 PHE 142 HA -0.02 -0.20 0.09 -0.75 4.62 3.74 2zdsA1 PHE 142 HB2 -0.02 0.01 0.15 -0.04 3.15 3.25 2zdsA1 PHE 142 HB3 -0.02 -0.03 -0.05 -0.04 3.06 2.92 2zdsA1 PHE 142 HD2 -0.01 0.01 -0.09 -0.04 7.28 7.15 2zdsA1 PHE 142 HE2 -0.01 -0.01 0.00 -0.04 7.38 7.32 2zdsA1 PHE 142 HZ -0.01 -0.02 0.01 -0.04 7.32 7.27 2zdsA1 PRO 143 HA -1.78 0.04 0.35 -0.51 4.44 2.54 2zdsA1 PRO 143 HB2 -0.38 0.08 0.00 -0.04 2.28 1.94 2zdsA1 PRO 143 HB3 -0.72 -0.04 0.10 -0.04 2.02 1.32 2zdsA1 PRO 143 HG2 -0.19 0.04 0.04 -0.04 2.03 1.88 2zdsA1 PRO 143 HG3 -0.19 -0.03 0.08 -0.04 2.03 1.85 2zdsA1 PRO 143 HD2 -0.12 0.11 0.35 -0.04 3.68 3.98 2zdsA1 PRO 143 HD3 -0.13 0.03 0.18 -0.04 3.65 3.68 2zdsA1 PRO 144 HA -0.06 0.08 0.33 -0.51 4.44 4.28 2zdsA1 PRO 144 HB2 -0.05 -0.03 -0.02 -0.04 2.28 2.14 2zdsA1 PRO 144 HB3 -0.02 0.04 0.03 -0.04 2.02 2.03 2zdsA1 PRO 144 HG2 -0.01 -0.01 0.07 -0.04 2.03 2.05 2zdsA1 PRO 144 HG3 0.06 0.06 0.08 -0.04 2.03 2.19 2zdsA1 PRO 144 HD2 -0.32 0.07 0.17 -0.04 3.68 3.56 2zdsA1 PRO 144 HD3 -0.51 0.09 0.21 -0.04 3.65 3.40 2zdsA1 ALA 145 H -0.05 0.18 0.17 -0.55 8.40 8.14 2zdsA1 ALA 145 HA -0.05 0.15 0.83 -0.75 4.34 4.52 2zdsA1 ALA 145 HB3 -0.06 0.02 0.09 -0.04 1.41 1.42 2zdsA1 PRO 146 HA -0.01 0.04 0.54 -0.51 4.44 4.51 2zdsA1 PRO 146 HB2 0.00 -0.10 0.01 -0.04 2.28 2.15 2zdsA1 PRO 146 HB3 -0.00 0.01 0.12 -0.04 2.02 2.11 2zdsA1 PRO 146 HG2 -0.01 0.02 0.08 -0.04 2.03 2.08 2zdsA1 PRO 146 HG3 -0.01 0.06 0.06 -0.04 2.03 2.10 2zdsA1 PRO 146 HD2 -0.02 0.09 0.20 -0.04 3.68 3.91 2zdsA1 PRO 146 HD3 -0.03 0.26 0.13 -0.04 3.65 3.97 2zdsA1 GLU 147 H 0.00 0.12 0.17 -0.55 8.60 8.35 2zdsA1 GLU 147 HA 0.02 0.16 0.50 -0.75 4.29 4.21 2zdsA1 GLU 147 HB2 0.01 0.05 0.14 -0.04 2.09 2.25 2zdsA1 GLU 147 HB3 0.01 -0.04 0.11 -0.04 1.99 2.03 2zdsA1 GLU 147 HG2 0.00 0.01 -0.01 -0.04 2.34 2.31 2zdsA1 GLU 147 HG3 0.02 -0.03 -0.19 -0.04 2.34 2.09 2zdsA1 SER 148 H 0.01 0.03 -0.33 -0.55 8.46 7.63 2zdsA1 SER 148 HA 0.03 0.06 0.30 -0.75 4.49 4.13 2zdsA1 SER 148 HB2 0.02 0.02 0.09 -0.04 3.95 4.03 2zdsA1 SER 148 HB3 0.01 -0.01 0.05 -0.04 3.93 3.95 2zdsA1 ILE 150 HA 0.05 -0.12 0.32 -0.75 4.18 3.68 2zdsA1 ILE 150 HB 0.07 0.06 0.10 -0.04 1.89 2.09 2zdsA1 ILE 150 HG12 0.03 -0.04 0.01 -0.04 1.49 1.45 2zdsA1 ILE 150 HG13 0.01 0.00 0.05 -0.04 1.21 1.23 2zdsA1 ILE 150 HG23 0.20 -0.02 -0.12 -0.04 0.93 0.95 2zdsA1 ILE 150 HD13 0.02 0.02 -0.07 -0.04 0.88 0.80 2zdsA1 GLU 151 H 0.08 0.69 -0.28 -0.55 8.60 8.54 2zdsA1 GLU 151 HA 0.21 0.00 0.53 -0.75 4.29 4.28 2zdsA1 GLU 151 HB2 0.06 0.09 0.10 -0.04 2.09 2.30 2zdsA1 GLU 151 HB3 0.06 -0.01 -0.01 -0.04 1.99 2.00 2zdsA1 GLU 151 HG2 0.04 0.01 0.02 -0.04 2.34 2.36 2zdsA1 GLU 151 HG3 0.03 -0.01 0.00 -0.04 2.34 2.33 2zdsA1 ARG 152 H 0.07 0.62 0.22 -0.55 8.46 8.82 2zdsA1 ARG 152 HA 0.07 0.01 0.39 -0.75 4.34 4.05 2zdsA1 ARG 152 HB2 0.04 0.06 0.01 -0.04 1.90 1.98 2zdsA1 ARG 152 HB3 0.04 -0.04 -0.04 -0.04 1.80 1.72 2zdsA1 ARG 152 HG2 0.04 -0.06 0.05 -0.04 1.67 1.65 2zdsA1 ARG 152 HG3 0.04 0.26 0.12 -0.04 1.67 2.05 2zdsA1 ARG 152 HD2 0.02 -0.03 -0.00 -0.04 3.22 3.17 2zdsA1 ARG 152 HD3 0.02 -0.04 0.01 -0.04 3.22 3.18 2zdsA1 GLY 153 H 0.06 0.29 -0.28 -0.55 8.43 7.96 2zdsA1 GLY 153 HA2 0.04 0.01 0.44 -0.51 4.01 3.99 2zdsA1 GLY 153 HA3 -0.04 0.04 0.25 -0.51 4.01 3.75 2zdsA1 TYR 154 H 0.16 0.42 -0.07 -0.55 8.29 8.25 2zdsA1 TYR 154 HA 0.17 0.01 0.62 -0.75 4.56 4.59 2zdsA1 TYR 154 HB2 0.07 0.15 0.17 -0.04 3.06 3.40 2zdsA1 TYR 154 HB3 0.10 0.01 0.04 -0.04 2.98 3.09 2zdsA1 TYR 154 HD2 0.03 0.09 -0.02 -0.04 7.15 7.21 2zdsA1 TYR 154 HE2 0.00 0.05 -0.04 -0.04 6.85 6.83 2zdsA1 GLN 155 H 0.17 0.56 -0.05 -0.55 8.47 8.61 2zdsA1 GLN 155 HA 0.08 0.07 0.61 -0.75 4.36 4.37 2zdsA1 GLN 155 HB2 0.08 0.05 0.09 -0.04 2.15 2.33 2zdsA1 GLN 155 HB3 0.07 0.06 0.11 -0.04 2.02 2.22 2zdsA1 GLN 155 HG2 0.03 -0.01 0.00 -0.04 2.40 2.38 2zdsA1 GLN 155 HG3 0.03 -0.02 -0.07 -0.04 2.39 2.29 2zdsA1 GLN 155 HE21 -0.00 0.06 0.04 -0.04 6.97 7.03 2zdsA1 GLN 155 HE22 0.00 -0.03 0.03 -0.04 7.69 7.65 2zdsA1 ASP 156 H 0.09 0.66 -0.06 -0.55 8.40 8.54 2zdsA1 ASP 156 HA 0.05 0.02 0.52 -0.75 4.63 4.47 2zdsA1 ASP 156 HB2 0.06 0.02 0.13 -0.04 2.71 2.88 2zdsA1 ASP 156 HB3 0.09 0.08 0.23 -0.04 2.70 3.06 2zdsA1 PHE 157 H 0.22 0.37 -0.28 -0.55 8.34 8.11 2zdsA1 PHE 157 HA 0.16 0.04 0.47 -0.75 4.62 4.53 2zdsA1 PHE 157 HB2 -0.03 -0.09 0.12 -0.04 3.15 3.10 2zdsA1 PHE 157 HB3 -0.00 0.12 0.26 -0.04 3.06 3.39 2zdsA1 PHE 157 HD2 -0.11 0.04 0.04 -0.04 7.28 7.21 2zdsA1 PHE 157 HE2 -0.68 0.13 -0.01 -0.04 7.38 6.78 2zdsA1 PHE 157 HZ -1.84 0.05 -0.09 -0.04 7.32 5.40 2zdsA1 ALA 158 H -0.03 0.50 -0.09 -0.55 8.40 8.23 2zdsA1 ALA 158 HA -0.64 -0.02 0.31 -0.75 4.34 3.24 2zdsA1 ALA 158 HB3 -0.10 0.02 0.10 -0.04 1.41 1.39 2zdsA1 ASP 159 H -0.04 0.64 -0.15 -0.55 8.40 8.31 2zdsA1 ASP 159 HA -0.05 0.01 0.34 -0.75 4.63 4.18 2zdsA1 ASP 159 HB2 0.00 0.04 0.13 -0.04 2.71 2.84 2zdsA1 ASP 159 HB3 -0.02 -0.05 0.02 -0.04 2.70 2.61 2zdsA1 ARG 160 H -0.00 0.46 -0.23 -0.55 8.46 8.13 2zdsA1 ARG 160 HA -0.10 0.06 0.65 -0.75 4.34 4.20 2zdsA1 ARG 160 HB2 0.09 0.03 0.05 -0.04 1.90 2.03 2zdsA1 ARG 160 HB3 -0.11 -0.04 0.07 -0.04 1.80 1.68 2zdsA1 ARG 160 HG2 -0.01 -0.10 -0.01 -0.04 1.67 1.51 2zdsA1 ARG 160 HG3 0.06 0.49 0.17 -0.04 1.67 2.34 2zdsA1 ARG 160 HD2 0.07 -0.12 -0.01 -0.04 3.22 3.12 2zdsA1 ARG 160 HD3 0.11 0.02 -0.08 -0.04 3.22 3.24 2zdsA1 TRP 161 H -0.04 0.46 -0.11 -0.55 7.97 7.74 2zdsA1 TRP 161 HA -0.10 0.06 0.58 -0.75 4.62 4.40 2zdsA1 TRP 161 HB2 -0.71 0.19 0.07 -0.04 3.23 2.74 2zdsA1 TRP 161 HB3 -0.27 -0.06 -0.04 -0.04 3.23 2.83 2zdsA1 TRP 161 HD1 0.11 0.10 0.02 -0.04 7.22 7.40 2zdsA1 TRP 161 HE1 0.14 0.12 0.05 -0.04 10.20 10.47 2zdsA1 TRP 161 HE3 -0.21 -0.02 -0.04 -0.04 7.59 7.28 2zdsA1 TRP 161 HZ2 0.10 0.10 0.17 -0.04 7.44 7.77 2zdsA1 TRP 161 HZ3 -1.23 -0.01 -0.10 -0.04 7.13 5.75 2zdsA1 TRP 161 HH2 -0.30 -0.05 -0.02 -0.04 7.19 6.77 2zdsA1 ASN 162 H -0.10 0.71 0.12 -0.55 8.53 8.72 2zdsA1 ASN 162 HA -0.01 -0.02 0.46 -0.75 4.76 4.43 2zdsA1 ASN 162 HB2 -0.06 0.21 0.17 -0.04 2.88 3.16 2zdsA1 ASN 162 HB3 -0.03 -0.06 -0.01 -0.04 2.79 2.65 2zdsA1 ASN 162 HD21 -0.07 0.02 0.06 -0.04 7.03 7.00 2zdsA1 ASN 162 HD22 -0.06 -0.01 -0.04 -0.04 7.74 7.58 2zdsA1 PRO 163 HA -0.01 0.03 0.47 -0.51 4.44 4.42 2zdsA1 PRO 163 HB2 -0.09 0.05 -0.06 -0.04 2.28 2.14 2zdsA1 PRO 163 HB3 -0.04 -0.02 0.07 -0.04 2.02 1.98 2zdsA1 PRO 163 HG2 -0.08 0.13 0.06 -0.04 2.03 2.10 2zdsA1 PRO 163 HG3 -0.05 -0.02 0.05 -0.04 2.03 1.97 2zdsA1 PRO 163 HD2 -0.10 0.08 -0.71 -0.04 3.68 2.91 2zdsA1 PRO 163 HD3 -0.06 0.12 0.01 -0.04 3.65 3.68 2zdsA1 ILE 164 H -0.13 0.32 -0.32 -0.55 8.25 7.57 2zdsA1 ILE 164 HA -0.07 0.02 0.52 -0.75 4.18 3.89 2zdsA1 ILE 164 HB -0.36 0.13 0.20 -0.04 1.89 1.83 2zdsA1 ILE 164 HG12 -0.37 0.04 0.11 -0.04 1.49 1.23 2zdsA1 ILE 164 HG13 -0.40 0.10 0.12 -0.04 1.21 0.99 2zdsA1 ILE 164 HG23 -0.10 -0.04 -0.17 -0.04 0.93 0.58 2zdsA1 ILE 164 HD13 -1.45 -0.04 0.04 -0.04 0.88 -0.61 2zdsA1 LEU 165 H 0.10 0.72 -0.03 -0.55 8.37 8.61 2zdsA1 LEU 165 HA 0.36 -0.02 0.35 -0.75 4.35 4.29 2zdsA1 LEU 165 HB2 0.12 0.15 0.10 -0.04 1.64 1.98 2zdsA1 LEU 165 HB3 0.18 -0.08 0.02 -0.04 1.64 1.72 2zdsA1 LEU 165 HG 0.34 0.09 -0.03 -0.04 1.64 1.99 2zdsA1 LEU 165 HD13 0.13 -0.02 -0.13 -0.04 0.93 0.86 2zdsA1 LEU 165 HD23 0.18 -0.03 -0.20 -0.04 0.89 0.80 2zdsA1 ASP 166 H 0.08 0.42 -0.24 -0.55 8.40 8.12 2zdsA1 ASP 166 HA 0.09 0.03 0.60 -0.75 4.63 4.59 2zdsA1 ASP 166 HB2 0.03 0.17 0.11 -0.04 2.71 2.98 2zdsA1 ASP 166 HB3 0.04 -0.05 0.00 -0.04 2.70 2.65 2zdsA1 VAL 167 H 0.09 0.38 -0.26 -0.55 8.24 7.91 2zdsA1 VAL 167 HA 0.02 0.03 0.54 -0.75 4.13 3.97 2zdsA1 VAL 167 HB 0.00 0.21 0.25 -0.04 2.12 2.54 2zdsA1 VAL 167 HG13 -0.08 -0.02 -0.06 -0.04 0.97 0.77 2zdsA1 VAL 167 HG23 -0.01 0.02 0.09 -0.04 0.95 1.00 2zdsA1 PHE 168 H 0.33 0.33 0.00 -0.55 8.34 8.45 2zdsA1 PHE 168 HA 0.09 -0.02 0.43 -0.75 4.62 4.37 2zdsA1 PHE 168 HB2 0.15 0.02 0.15 -0.04 3.15 3.43 2zdsA1 PHE 168 HB3 0.16 0.32 0.02 -0.04 3.06 3.52 2zdsA1 PHE 168 HD2 0.15 0.12 -0.45 -0.04 7.28 7.06 2zdsA1 PHE 168 HE2 0.18 -0.02 -0.23 -0.04 7.38 7.27 2zdsA1 PHE 168 HZ 0.36 -0.09 -0.13 -0.04 7.32 7.42 2zdsA1 ASP 169 H 0.22 0.46 -0.21 -0.55 8.40 8.33 2zdsA1 ASP 169 HA 0.13 0.05 0.48 -0.75 4.63 4.54 2zdsA1 ASP 169 HB2 0.11 0.07 0.20 -0.04 2.71 3.05 2zdsA1 ASP 169 HB3 0.08 -0.04 0.01 -0.04 2.70 2.72 2zdsA1 ALA 170 H 0.07 0.55 -0.06 -0.55 8.40 8.42 2zdsA1 ALA 170 HA 0.04 -0.03 0.44 -0.75 4.34 4.03 2zdsA1 ALA 170 HB3 0.02 -0.01 0.13 -0.04 1.41 1.51 2zdsA1 GLU 171 H 0.03 0.49 -0.33 -0.55 8.60 8.24 2zdsA1 GLU 171 HA 0.01 0.05 0.50 -0.75 4.29 4.10 2zdsA1 GLU 171 HB2 -0.06 0.01 -0.03 -0.04 2.09 1.98 2zdsA1 GLU 171 HB3 -0.03 -0.02 0.00 -0.04 1.99 1.91 2zdsA1 GLU 171 HG2 -0.03 0.10 -0.07 -0.04 2.34 2.29 2zdsA1 GLU 171 HG3 -0.09 -0.13 -0.27 -0.04 2.34 1.81 2zdsA1 GLY 172 H 0.06 0.33 -0.29 -0.55 8.43 7.99 2zdsA1 GLY 172 HA2 0.06 -0.01 0.30 -0.51 4.01 3.86 2zdsA1 GLY 172 HA3 0.04 0.01 0.53 -0.51 4.01 4.08 2zdsA1 VAL 173 H 0.14 0.60 0.08 -0.55 8.24 8.52 2zdsA1 VAL 173 HA 0.13 0.18 0.77 -0.75 4.13 4.45 2zdsA1 VAL 173 HB 0.06 -0.12 -0.04 -0.04 2.12 1.97 2zdsA1 VAL 173 HG13 0.27 -0.04 -0.32 -0.04 0.97 0.84 2zdsA1 VAL 173 HG23 0.03 0.09 -0.27 -0.04 0.95 0.75 2zdsA1 ARG 174 H 0.17 0.84 0.32 -0.55 8.46 9.24 2zdsA1 ARG 174 HA 0.22 0.15 0.93 -0.75 4.34 4.88 2zdsA1 ARG 174 HB2 -0.05 -0.05 0.09 -0.04 1.90 1.84 2zdsA1 ARG 174 HB3 0.04 0.06 0.01 -0.04 1.80 1.87 2zdsA1 ARG 174 HG2 -0.12 0.08 -0.03 -0.04 1.67 1.56 2zdsA1 ARG 174 HG3 -0.02 -0.04 -0.19 -0.04 1.67 1.38 2zdsA1 ARG 174 HD2 -0.74 0.03 -0.03 -0.04 3.22 2.43 2zdsA1 ARG 174 HD3 -0.21 -0.01 -0.04 -0.04 3.22 2.92 2zdsA1 PHE 175 H 0.07 0.66 0.30 -0.55 8.34 8.81 2zdsA1 PHE 175 HA -0.09 0.17 0.93 -0.75 4.62 4.88 2zdsA1 PHE 175 HB2 -1.11 -0.02 0.02 -0.04 3.15 2.00 2zdsA1 PHE 175 HB3 -0.24 0.05 0.17 -0.04 3.06 3.00 2zdsA1 PHE 175 HD2 -0.09 0.03 -0.12 -0.04 7.28 7.05 2zdsA1 PHE 175 HE2 -0.01 -0.08 -0.28 -0.04 7.38 6.97 2zdsA1 PHE 175 HZ 0.08 -0.05 -0.36 -0.04 7.32 6.94 2zdsA1 ALA 176 H -0.46 0.89 0.17 -0.55 8.40 8.45 2zdsA1 ALA 176 HA -0.28 0.15 0.31 -0.75 4.34 3.77 2zdsA1 ALA 176 HB3 -0.10 -0.01 -0.27 -0.04 1.41 1.00 2zdsA1 HIS 177 H -0.62 0.85 0.07 -0.55 8.41 8.17 2zdsA1 HIS 177 HA -0.63 0.07 0.51 -0.75 4.63 3.82 2zdsA1 HIS 177 HB2 -0.38 0.01 -0.03 -0.04 3.26 2.82 2zdsA1 HIS 177 HB3 -0.63 0.15 0.11 -0.04 3.20 2.79 2zdsA1 HIS 177 HD2 -0.07 -0.01 -0.23 -0.04 6.97 6.62 2zdsA1 HIS 177 HE1 0.01 -0.21 0.05 -0.04 7.75 7.56 2zdsA1 GLU 178 H -0.41 0.65 0.35 -0.55 8.60 8.65 2zdsA1 GLU 178 HA -0.21 0.28 0.76 -0.75 4.29 4.36 2zdsA1 GLU 178 HB2 -0.15 -0.07 0.04 -0.04 2.09 1.87 2zdsA1 GLU 178 HB3 0.05 -0.07 0.13 -0.04 1.99 2.06 2zdsA1 GLU 178 HG2 0.16 0.11 -0.28 -0.04 2.34 2.29 2zdsA1 GLU 178 HG3 -0.02 0.11 -0.09 -0.04 2.34 2.30 2zdsA1 VAL 179 H -0.15 0.29 0.19 -0.55 8.24 8.02 2zdsA1 VAL 179 HA -0.06 0.21 0.42 -0.75 4.13 3.95 2zdsA1 VAL 179 HB -0.11 -0.01 0.05 -0.04 2.12 2.01 2zdsA1 VAL 179 HG13 -0.21 -0.03 -0.49 -0.04 0.97 0.20 2zdsA1 VAL 179 HG23 0.10 0.02 -0.08 -0.04 0.95 0.95 2zdsA1 HIS 180 H 0.01 0.38 0.39 -0.55 8.41 8.65 2zdsA1 HIS 180 HA -0.24 0.03 0.65 -0.75 4.63 4.31 2zdsA1 HIS 180 HB2 0.04 0.10 -0.49 -0.04 3.26 2.87 2zdsA1 HIS 180 HB3 -0.08 0.09 -0.13 -0.04 3.20 3.04 2zdsA1 HIS 180 HD2 0.27 -0.04 -0.07 -0.04 6.97 7.09 2zdsA1 HIS 180 HE1 0.01 -0.05 -0.05 -0.04 7.75 7.62 2zdsA1 PRO 181 HA -0.61 -0.01 0.58 -0.51 4.44 3.89 2zdsA1 PRO 181 HB2 -0.30 0.02 -0.01 -0.04 2.28 1.96 2zdsA1 PRO 181 HB3 -0.23 0.03 0.10 -0.04 2.02 1.87 2zdsA1 PRO 181 HG2 0.19 0.04 0.07 -0.04 2.03 2.29 2zdsA1 PRO 181 HG3 0.15 0.09 0.08 -0.04 2.03 2.31 2zdsA1 PRO 181 HD2 -1.94 0.07 0.20 -0.04 3.68 1.97 2zdsA1 PRO 181 HD3 -0.58 0.16 0.17 -0.04 3.65 3.36 2zdsA1 SER 182 H -2.88 0.15 0.15 -0.55 8.46 5.34 2zdsA1 SER 182 HA -2.52 -0.02 0.25 -0.75 4.49 1.44 2zdsA1 SER 182 HB2 -0.65 -0.04 0.08 -0.04 3.95 3.29 2zdsA1 SER 182 HB3 -0.77 -0.01 -0.32 -0.04 3.93 2.79 2zdsA1 GLU 183 H -0.38 0.20 -0.22 -0.55 8.60 7.66 2zdsA1 GLU 183 HA -0.10 0.05 0.52 -0.75 4.29 4.01 2zdsA1 GLU 183 HB2 0.03 0.28 -0.04 -0.04 2.09 2.32 2zdsA1 GLU 183 HB3 0.21 -0.16 0.07 -0.04 1.99 2.07 2zdsA1 GLU 183 HG2 -0.41 0.19 -0.12 -0.04 2.34 1.97 2zdsA1 GLU 183 HG3 -0.02 0.11 0.07 -0.04 2.34 2.45 2zdsA1 ILE 184 H -0.10 0.30 0.11 -0.55 8.25 8.01 2zdsA1 ILE 184 HA -0.03 -0.02 0.38 -0.75 4.18 3.76 2zdsA1 ILE 184 HB -0.24 0.07 0.16 -0.04 1.89 1.84 2zdsA1 ILE 184 HG12 -0.40 0.06 0.02 -0.04 1.49 1.13 2zdsA1 ILE 184 HG13 -0.39 0.02 -0.02 -0.04 1.21 0.78 2zdsA1 ILE 184 HG23 -1.05 0.01 -0.04 -0.04 0.93 -0.19 2zdsA1 ILE 184 HD13 -0.50 -0.03 -0.09 -0.04 0.88 0.22 2zdsA1 ALA 185 H -0.03 0.13 -0.24 -0.55 8.40 7.71 2zdsA1 ALA 185 HA -0.04 0.03 0.51 -0.75 4.34 4.08 2zdsA1 ALA 185 HB3 0.02 0.03 -0.08 -0.04 1.41 1.34 2zdsA1 TYR 186 H -0.36 0.02 -0.02 -0.55 8.29 7.39 2zdsA1 TYR 186 HA -0.10 -0.03 0.65 -0.75 4.56 4.33 2zdsA1 TYR 186 HB2 -0.10 -0.06 -0.27 -0.04 3.06 2.59 2zdsA1 TYR 186 HB3 -0.08 0.11 -0.18 -0.04 2.98 2.78 2zdsA1 TYR 186 HD2 0.14 0.14 -0.27 -0.04 7.15 7.12 2zdsA1 TYR 186 HE2 0.18 0.05 -0.08 -0.04 6.85 6.96 2zdsA1 ASP 187 H -0.33 0.05 0.09 -0.55 8.40 7.66 2zdsA1 ASP 187 HA -0.24 0.25 0.48 -0.75 4.63 4.37 2zdsA1 ASP 187 HB2 -0.77 0.12 -0.07 -0.04 2.71 1.95 2zdsA1 ASP 187 HB3 -0.23 -0.48 -0.12 -0.04 2.70 1.83 2zdsA1 TYR 188 H 0.02 0.23 0.10 -0.55 8.29 8.09 2zdsA1 TYR 188 HA 0.22 0.18 0.51 -0.75 4.56 4.72 2zdsA1 TYR 188 HB2 0.05 0.04 0.08 -0.04 3.06 3.19 2zdsA1 TYR 188 HB3 -0.29 -0.02 0.16 -0.04 2.98 2.78 2zdsA1 TYR 188 HD2 -0.83 -0.03 -0.10 -0.04 7.15 6.14 2zdsA1 TYR 188 HE2 -1.03 0.06 -0.08 -0.04 6.85 5.75 2zdsA1 TRP 189 H 0.18 0.12 0.01 -0.55 7.97 7.73 2zdsA1 TRP 189 HA 0.18 0.15 0.33 -0.75 4.62 4.52 2zdsA1 TRP 189 HB2 0.07 -0.02 0.09 -0.04 3.23 3.33 2zdsA1 TRP 189 HB3 0.07 0.08 0.01 -0.04 3.23 3.36 2zdsA1 TRP 189 HD1 0.11 0.01 0.04 -0.04 7.22 7.34 2zdsA1 TRP 189 HE1 0.07 0.05 0.01 -0.04 10.20 10.28 2zdsA1 TRP 189 HE3 0.15 -0.03 0.03 -0.04 7.59 7.70 2zdsA1 TRP 189 HZ2 0.06 0.02 -0.01 -0.04 7.44 7.48 2zdsA1 TRP 189 HZ3 -0.02 0.04 -0.02 -0.04 7.13 7.08 2zdsA1 TRP 189 HH2 0.10 0.03 -0.02 -0.04 7.19 7.26 2zdsA1 THR 190 H 0.00 -0.01 -0.27 -0.55 8.28 7.45 2zdsA1 THR 190 HA 0.09 0.16 0.43 -0.75 4.39 4.32 2zdsA1 THR 190 HB -0.02 0.36 0.18 -0.04 4.32 4.79 2zdsA1 THR 190 HG23 -0.17 0.02 -0.01 -0.04 1.22 1.03 2zdsA1 THR 191 H -0.11 0.24 -0.38 -0.55 8.28 7.49 2zdsA1 THR 191 HA -0.12 0.02 0.46 -0.75 4.39 3.99 2zdsA1 THR 191 HB -0.59 0.18 0.12 -0.04 4.32 3.99 2zdsA1 THR 191 HG23 -0.99 0.02 -0.18 -0.04 1.22 0.02 2zdsA1 HIS 192 H -0.05 0.40 -0.12 -0.55 8.41 8.09 2zdsA1 HIS 192 HA 0.16 0.08 0.45 -0.75 4.63 4.57 2zdsA1 HIS 192 HB2 0.16 0.04 0.17 -0.04 3.26 3.60 2zdsA1 HIS 192 HB3 0.17 -0.00 -0.03 -0.04 3.20 3.30 2zdsA1 HIS 192 HD2 -0.61 -0.08 -0.08 -0.04 6.97 6.17 2zdsA1 HIS 192 HE1 -0.32 0.08 -0.03 -0.04 7.75 7.44 2zdsA1 ARG 193 H 0.09 0.41 -0.20 -0.55 8.46 8.20 2zdsA1 ARG 193 HA -0.06 0.03 0.31 -0.75 4.34 3.87 2zdsA1 ARG 193 HB2 -0.12 0.05 0.11 -0.04 1.90 1.90 2zdsA1 ARG 193 HB3 -0.33 0.07 0.08 -0.04 1.80 1.58 2zdsA1 ARG 193 HG2 -1.34 -0.01 -0.07 -0.04 1.67 0.20 2zdsA1 ARG 193 HG3 -0.35 -0.01 0.05 -0.04 1.67 1.31 2zdsA1 ARG 193 HD2 -0.23 -0.00 -0.02 -0.04 3.22 2.92 2zdsA1 ARG 193 HD3 -0.60 -0.01 -0.03 -0.04 3.22 2.54 2zdsA1 ALA 194 H -0.00 0.50 -0.17 -0.55 8.40 8.19 2zdsA1 ALA 194 HA 0.14 0.02 0.60 -0.75 4.34 4.34 2zdsA1 ALA 194 HB3 -0.23 0.01 -0.01 -0.04 1.41 1.15 2zdsA1 LEU 195 H -0.05 0.66 -0.09 -0.55 8.37 8.34 2zdsA1 LEU 195 HA -0.05 0.08 0.53 -0.75 4.35 4.16 2zdsA1 LEU 195 HB2 -0.21 0.05 0.13 -0.04 1.64 1.58 2zdsA1 LEU 195 HB3 -0.49 -0.02 0.05 -0.04 1.64 1.14 2zdsA1 LEU 195 HG -0.08 0.07 0.01 -0.04 1.64 1.60 2zdsA1 LEU 195 HD13 0.03 -0.01 -0.05 -0.04 0.93 0.85 2zdsA1 LEU 195 HD23 0.17 0.01 -0.06 -0.04 0.89 0.97 2zdsA1 GLU 196 H -0.10 0.53 -0.16 -0.55 8.60 8.32 2zdsA1 GLU 196 HA -0.01 0.01 0.41 -0.75 4.29 3.95 2zdsA1 GLU 196 HB2 0.00 0.08 0.12 -0.04 2.09 2.26 2zdsA1 GLU 196 HB3 0.04 -0.04 -0.02 -0.04 1.99 1.93 2zdsA1 GLU 196 HG2 0.16 -0.03 -0.00 -0.04 2.34 2.42 2zdsA1 GLU 196 HG3 0.37 -0.01 -0.01 -0.04 2.34 2.65 2zdsA1 ALA 197 H 0.02 0.41 -0.21 -0.55 8.40 8.08 2zdsA1 ALA 197 HA 0.03 -0.01 0.39 -0.75 4.34 3.99 2zdsA1 ALA 197 HB3 0.21 0.03 0.15 -0.04 1.41 1.76 2zdsA1 VAL 198 H -0.04 0.37 -0.36 -0.55 8.24 7.67 2zdsA1 VAL 198 HA -0.09 0.16 0.82 -0.75 4.13 4.27 2zdsA1 VAL 198 HB -0.09 -0.05 0.20 -0.04 2.12 2.14 2zdsA1 VAL 198 HG13 -0.50 -0.02 -0.06 -0.04 0.97 0.35 2zdsA1 VAL 198 HG23 -0.17 0.06 0.08 -0.04 0.95 0.88 2zdsA1 GLY 199 H 0.01 0.54 -0.44 -0.55 8.43 8.00 2zdsA1 GLY 199 HA2 0.11 0.04 0.32 -0.51 4.01 3.96 2zdsA1 GLY 199 HA3 0.07 -0.03 0.35 -0.51 4.01 3.88 2zdsA1 HIS 200 H -0.07 0.66 -0.18 -0.55 8.41 8.27 2zdsA1 HIS 200 HA 0.10 0.02 0.24 -0.75 4.63 4.23 2zdsA1 HIS 200 HB2 0.05 0.11 -0.09 -0.04 3.26 3.29 2zdsA1 HIS 200 HB3 0.06 -0.00 0.16 -0.04 3.20 3.37 2zdsA1 HIS 200 HD2 0.05 -0.03 -0.32 -0.04 6.97 6.63 2zdsA1 HIS 200 HE1 0.18 -0.03 -0.04 -0.04 7.75 7.81 2zdsA1 ARG 201 H 0.10 0.36 -0.24 -0.55 8.46 8.12 2zdsA1 ARG 201 HA 0.12 0.10 0.44 -0.75 4.34 4.25 2zdsA1 ARG 201 HB2 0.10 -0.07 0.11 -0.04 1.90 2.01 2zdsA1 ARG 201 HB3 0.08 0.12 0.14 -0.04 1.80 2.10 2zdsA1 ARG 201 HG2 0.09 0.10 0.17 -0.04 1.67 1.98 2zdsA1 ARG 201 HG3 0.17 -0.26 -0.01 -0.04 1.67 1.52 2zdsA1 ARG 201 HD2 0.04 0.08 0.06 -0.04 3.22 3.36 2zdsA1 ARG 201 HD3 0.06 -0.07 0.02 -0.04 3.22 3.19 2zdsA1 PRO 202 HA 0.21 0.20 0.32 -0.51 4.44 4.66 2zdsA1 PRO 202 HB2 0.15 0.03 -0.00 -0.04 2.28 2.41 2zdsA1 PRO 202 HB3 0.14 0.06 0.11 -0.04 2.02 2.29 2zdsA1 PRO 202 HG2 0.11 -0.00 0.05 -0.04 2.03 2.15 2zdsA1 PRO 202 HG3 0.09 0.02 0.08 -0.04 2.03 2.19 2zdsA1 PRO 202 HD2 0.11 0.01 0.23 -0.04 3.68 3.99 2zdsA1 PRO 202 HD3 0.11 0.20 0.24 -0.04 3.65 4.16 2zdsA1 ALA 203 H 0.18 0.03 -0.37 -0.55 8.40 7.69 2zdsA1 ALA 203 HA 0.22 0.13 0.52 -0.75 4.34 4.44 2zdsA1 ALA 203 HB3 0.19 -0.02 0.06 -0.04 1.41 1.60 2zdsA1 PHE 204 H 0.30 0.32 -0.23 -0.55 8.34 8.18 2zdsA1 PHE 204 HA 0.16 0.06 0.84 -0.75 4.62 4.94 2zdsA1 PHE 204 HB2 0.10 -0.09 0.03 -0.04 3.15 3.15 2zdsA1 PHE 204 HB3 0.07 0.08 0.17 -0.04 3.06 3.33 2zdsA1 PHE 204 HD2 0.07 -0.00 -0.08 -0.04 7.28 7.22 2zdsA1 PHE 204 HE2 -0.21 -0.08 -0.14 -0.04 7.38 6.91 2zdsA1 PHE 204 HZ -0.63 -0.14 -0.10 -0.04 7.32 6.41 2zdsA1 GLY 205 H -0.13 0.70 0.24 -0.55 8.43 8.68 2zdsA1 GLY 205 HA2 -0.54 0.18 0.92 -0.51 4.01 4.06 2zdsA1 GLY 205 HA3 -1.44 0.03 0.43 -0.51 4.01 2.52 2zdsA1 LEU 206 H -0.55 0.52 0.40 -0.55 8.37 8.19 2zdsA1 LEU 206 HA -0.30 0.18 1.03 -0.75 4.35 4.51 2zdsA1 LEU 206 HB2 -0.07 0.01 -0.01 -0.04 1.64 1.52 2zdsA1 LEU 206 HB3 -0.02 -0.02 -0.09 -0.04 1.64 1.47 2zdsA1 LEU 206 HG -0.31 0.04 -0.19 -0.04 1.64 1.14 2zdsA1 LEU 206 HD13 -0.30 -0.01 -0.15 -0.04 0.93 0.43 2zdsA1 LEU 206 HD23 -0.20 0.02 -0.21 -0.04 0.89 0.46 2zdsA1 ASN 207 H -0.21 0.57 -0.27 -0.55 8.53 8.08 2zdsA1 ASN 207 HA 0.03 0.16 0.80 -0.75 4.76 5.01 2zdsA1 ASN 207 HB2 -0.18 0.11 -0.20 -0.04 2.88 2.57 2zdsA1 ASN 207 HB3 -0.14 -0.09 -0.18 -0.04 2.79 2.34 2zdsA1 ASN 207 HD21 0.00 -0.05 -0.28 -0.04 7.03 6.67 2zdsA1 ASN 207 HD22 -0.06 -0.04 -0.20 -0.04 7.74 7.40 2zdsA1 PHE 208 H 0.11 0.82 0.21 -0.55 8.34 8.93 2zdsA1 PHE 208 HA -0.08 0.06 0.71 -0.75 4.62 4.56 2zdsA1 PHE 208 HB2 -0.03 0.04 -0.01 -0.04 3.15 3.11 2zdsA1 PHE 208 HB3 -0.19 0.11 0.19 -0.04 3.06 3.13 2zdsA1 PHE 208 HD2 -0.27 -0.01 -0.10 -0.04 7.28 6.86 2zdsA1 PHE 208 HE2 -0.61 -0.03 -0.08 -0.04 7.38 6.61 2zdsA1 PHE 208 HZ -0.44 -0.09 -0.10 -0.04 7.32 6.65 2zdsA1 ASP 209 H -0.39 0.31 0.14 -0.55 8.40 7.91 2zdsA1 ASP 209 HA -0.37 0.47 0.93 -0.75 4.63 4.91 2zdsA1 ASP 209 HB2 -0.07 -0.00 -0.11 -0.04 2.71 2.48 2zdsA1 ASP 209 HB3 -0.03 0.06 0.14 -0.04 2.70 2.82 2zdsA1 PRO 210 HA -0.79 0.13 0.53 -0.51 4.44 3.79 2zdsA1 PRO 210 HB2 -0.50 -0.03 0.07 -0.04 2.28 1.78 2zdsA1 PRO 210 HB3 -0.62 0.06 0.06 -0.04 2.02 1.48 2zdsA1 PRO 210 HG2 -0.32 0.11 0.13 -0.04 2.03 1.90 2zdsA1 PRO 210 HG3 -0.33 0.07 0.03 -0.04 2.03 1.76 2zdsA1 PRO 210 HD2 -0.18 0.12 0.41 -0.04 3.68 3.99 2zdsA1 PRO 210 HD3 -0.78 0.22 0.04 -0.04 3.65 3.09 2zdsA1 SER 211 H -0.08 0.15 -0.22 -0.55 8.46 7.76 2zdsA1 SER 211 HA -0.06 -0.00 0.23 -0.75 4.49 3.91 2zdsA1 SER 211 HB2 0.24 0.00 -0.22 -0.04 3.95 3.93 2zdsA1 SER 211 HB3 0.14 0.09 -0.24 -0.04 3.93 3.89 2zdsA1 HIS 212 H 0.09 0.24 -0.13 -0.55 8.41 8.06 2zdsA1 HIS 212 HA -0.32 0.06 0.53 -0.75 4.63 4.15 2zdsA1 HIS 212 HB2 -0.18 0.14 0.06 -0.04 3.26 3.24 2zdsA1 HIS 212 HB3 -0.27 0.04 0.09 -0.04 3.20 3.01 2zdsA1 HIS 212 HD2 -0.03 0.03 -0.00 -0.04 6.97 6.92 2zdsA1 HIS 212 HE1 0.48 0.02 -0.03 -0.04 7.75 8.17 2zdsA1 PHE 213 H 0.13 0.34 -0.44 -0.55 8.34 7.82 2zdsA1 PHE 213 HA -0.32 0.02 0.52 -0.75 4.62 4.08 2zdsA1 PHE 213 HB2 -0.27 0.32 0.15 -0.04 3.15 3.31 2zdsA1 PHE 213 HB3 -0.21 0.15 -0.04 -0.04 3.06 2.92 2zdsA1 PHE 213 HD2 -0.24 -0.04 -0.26 -0.04 7.28 6.70 2zdsA1 PHE 213 HE2 -0.42 0.04 -0.12 -0.04 7.38 6.84 2zdsA1 PHE 213 HZ -2.22 0.03 -0.15 -0.04 7.32 4.93 2zdsA1 VAL 214 H -0.17 0.34 -0.25 -0.55 8.24 7.62 2zdsA1 VAL 214 HA -0.12 0.10 0.34 -0.75 4.13 3.71 2zdsA1 VAL 214 HB -0.16 0.12 0.14 -0.04 2.12 2.18 2zdsA1 VAL 214 HG13 -0.02 0.00 -0.19 -0.04 0.97 0.72 2zdsA1 VAL 214 HG23 -0.13 0.02 0.02 -0.04 0.95 0.82 2zdsA1 TRP 215 H -0.40 0.17 -0.09 -0.55 7.97 7.11 2zdsA1 TRP 215 HA -0.21 0.11 0.33 -0.75 4.62 4.09 2zdsA1 TRP 215 HB2 -0.40 0.06 0.07 -0.04 3.23 2.91 2zdsA1 TRP 215 HB3 -1.23 -0.06 0.00 -0.04 3.23 1.91 2zdsA1 TRP 215 HD1 -1.97 -0.04 0.01 -0.04 7.22 5.18 2zdsA1 TRP 215 HE1 0.13 -0.06 0.02 -0.04 10.20 10.26 2zdsA1 TRP 215 HE3 -0.03 -0.05 -0.18 -0.04 7.59 7.28 2zdsA1 TRP 215 HZ2 0.11 -0.06 -0.00 -0.04 7.44 7.45 2zdsA1 TRP 215 HZ3 0.07 -0.05 -0.13 -0.04 7.13 6.97 2zdsA1 TRP 215 HH2 0.15 -0.03 -0.05 -0.04 7.19 7.22 2zdsA1 GLN 216 H -0.91 0.17 -0.53 -0.55 8.47 6.66 2zdsA1 GLN 216 HA -0.63 0.09 0.46 -0.75 4.36 3.53 2zdsA1 GLN 216 HB2 -0.75 0.12 0.08 -0.04 2.15 1.56 2zdsA1 GLN 216 HB3 -0.51 -0.10 0.07 -0.04 2.02 1.45 2zdsA1 GLN 216 HG2 -1.72 -0.02 -0.04 -0.04 2.40 0.59 2zdsA1 GLN 216 HG3 -2.20 0.05 0.02 -0.04 2.39 0.22 2zdsA1 GLN 216 HE21 -0.20 0.51 0.05 -0.04 6.97 7.29 2zdsA1 GLN 216 HE22 -0.55 0.08 -0.00 -0.04 7.69 7.18 2zdsA1 ASP 217 H -0.22 0.34 -0.53 -0.55 8.40 7.44 2zdsA1 ASP 217 HA -0.09 0.10 0.30 -0.75 4.63 4.19 2zdsA1 ASP 217 HB2 -0.06 0.11 -0.20 -0.04 2.71 2.52 2zdsA1 ASP 217 HB3 -0.04 -0.08 0.26 -0.04 2.70 2.80 2zdsA1 LEU 218 H -0.15 0.59 -0.01 -0.55 8.37 8.25 2zdsA1 LEU 218 HA -0.04 0.10 0.66 -0.75 4.35 4.31 2zdsA1 LEU 218 HB2 -0.15 -0.04 0.00 -0.04 1.64 1.42 2zdsA1 LEU 218 HB3 0.02 -0.06 -0.06 -0.04 1.64 1.50 2zdsA1 LEU 218 HG -0.30 0.11 -0.20 -0.04 1.64 1.21 2zdsA1 LEU 218 HD13 -0.65 -0.01 -0.03 -0.04 0.93 0.20 2zdsA1 LEU 218 HD23 -0.08 -0.01 -0.01 -0.04 0.89 0.75 2zdsA1 ASP 219 H 0.03 0.13 0.11 -0.55 8.40 8.12 2zdsA1 ASP 219 HA 0.01 0.22 0.65 -0.75 4.63 4.75 2zdsA1 ASP 219 HB2 -0.03 0.14 0.11 -0.04 2.71 2.89 2zdsA1 ASP 219 HB3 -0.02 -0.04 0.21 -0.04 2.70 2.81 2zdsA1 PRO 220 HA -0.30 0.07 0.41 -0.51 4.44 4.11 2zdsA1 PRO 220 HB2 -0.04 0.08 -0.08 -0.04 2.28 2.21 2zdsA1 PRO 220 HB3 -0.59 0.02 0.07 -0.04 2.02 1.48 2zdsA1 PRO 220 HG2 -0.13 0.00 0.07 -0.04 2.03 1.93 2zdsA1 PRO 220 HG3 -0.22 0.05 0.09 -0.04 2.03 1.90 2zdsA1 PRO 220 HD2 -0.06 0.06 0.29 -0.04 3.68 3.94 2zdsA1 PRO 220 HD3 -0.03 0.37 0.20 -0.04 3.65 4.16 2zdsA1 VAL 221 H -0.04 0.10 -0.23 -0.55 8.24 7.52 2zdsA1 VAL 221 HA -0.08 0.22 0.44 -0.75 4.13 3.96 2zdsA1 VAL 221 HB -0.05 -0.06 0.05 -0.04 2.12 2.02 2zdsA1 VAL 221 HG13 -0.06 0.05 -0.09 -0.04 0.97 0.83 2zdsA1 VAL 221 HG23 -0.07 0.01 -0.16 -0.04 0.95 0.70 2zdsA1 GLY 222 H 0.01 0.04 -0.14 -0.55 8.43 7.80 2zdsA1 GLY 222 HA2 0.06 0.09 0.39 -0.51 4.01 4.04 2zdsA1 GLY 222 HA3 0.01 0.03 0.27 -0.51 4.01 3.82 2zdsA1 PHE 223 H 0.30 0.34 -0.37 -0.55 8.34 8.05 2zdsA1 PHE 223 HA 0.41 -0.01 0.42 -0.75 4.62 4.69 2zdsA1 PHE 223 HB2 0.50 -0.03 0.02 -0.04 3.15 3.61 2zdsA1 PHE 223 HB3 0.18 0.15 0.06 -0.04 3.06 3.41 2zdsA1 PHE 223 HD2 0.30 -0.00 -0.25 -0.04 7.28 7.28 2zdsA1 PHE 223 HE2 -0.06 0.02 -0.16 -0.04 7.38 7.14 2zdsA1 PHE 223 HZ -0.21 0.01 -0.12 -0.04 7.32 6.95 2zdsA1 LEU 224 H 0.13 0.44 -0.20 -0.55 8.37 8.20 2zdsA1 LEU 224 HA -0.03 0.02 0.36 -0.75 4.35 3.95 2zdsA1 LEU 224 HB2 -0.17 0.10 0.21 -0.04 1.64 1.74 2zdsA1 LEU 224 HB3 -0.09 0.05 -0.06 -0.04 1.64 1.50 2zdsA1 LEU 224 HG -0.39 0.08 -0.01 -0.04 1.64 1.28 2zdsA1 LEU 224 HD13 -0.94 -0.03 -0.05 -0.04 0.93 -0.12 2zdsA1 LEU 224 HD23 -0.72 0.02 -0.02 -0.04 0.89 0.13 2zdsA1 TRP 225 H 0.22 0.38 -0.16 -0.55 7.97 7.86 2zdsA1 TRP 225 HA -0.08 0.08 0.44 -0.75 4.62 4.31 2zdsA1 TRP 225 HB2 -0.06 0.02 0.06 -0.04 3.23 3.21 2zdsA1 TRP 225 HB3 -0.07 0.01 0.15 -0.04 3.23 3.27 2zdsA1 TRP 225 HD1 -0.07 -0.03 -0.08 -0.04 7.22 7.00 2zdsA1 TRP 225 HE1 -0.04 -0.03 -0.05 -0.04 10.20 10.04 2zdsA1 TRP 225 HE3 -0.04 0.02 -0.08 -0.04 7.59 7.44 2zdsA1 TRP 225 HZ2 -0.03 -0.03 -0.02 -0.04 7.44 7.32 2zdsA1 TRP 225 HZ3 -0.02 0.08 -0.07 -0.04 7.13 7.07 2zdsA1 TRP 225 HH2 -0.02 0.00 -0.02 -0.04 7.19 7.11 2zdsA1 ASP 226 H 0.07 0.54 -0.06 -0.55 8.40 8.41 2zdsA1 ASP 226 HA -0.29 0.03 0.33 -0.75 4.63 3.95 2zdsA1 ASP 226 HB2 -0.26 0.06 0.14 -0.04 2.71 2.61 2zdsA1 ASP 226 HB3 -0.60 -0.05 0.01 -0.04 2.70 2.01 2zdsA1 PHE 227 H -0.29 0.60 -0.22 -0.55 8.34 7.87 2zdsA1 PHE 227 HA -0.26 0.17 0.89 -0.75 4.62 4.67 2zdsA1 PHE 227 HB2 -0.63 0.11 0.00 -0.04 3.15 2.59 2zdsA1 PHE 227 HB3 -0.38 -0.06 0.07 -0.04 3.06 2.65 2zdsA1 PHE 227 HD2 -1.02 0.10 -0.02 -0.04 7.28 6.29 2zdsA1 PHE 227 HE2 -1.01 -0.07 -0.06 -0.04 7.38 6.20 2zdsA1 PHE 227 HZ -1.63 -0.02 -0.02 -0.04 7.32 5.62 2zdsA1 ARG 228 H -0.22 0.42 -0.43 -0.55 8.46 7.68 2zdsA1 ARG 228 HA -0.08 0.05 0.30 -0.75 4.34 3.86 2zdsA1 ARG 228 HB2 -0.14 0.01 0.11 -0.04 1.90 1.84 2zdsA1 ARG 228 HB3 -0.21 0.11 0.25 -0.04 1.80 1.91 2zdsA1 ARG 228 HG2 -0.36 0.04 0.09 -0.04 1.67 1.39 2zdsA1 ARG 228 HG3 -0.22 -0.05 -0.07 -0.04 1.67 1.29 2zdsA1 ARG 228 HD2 -0.35 0.02 0.02 -0.04 3.22 2.88 2zdsA1 ARG 228 HD3 -0.74 -0.02 0.08 -0.04 3.22 2.50 2zdsA1 ASP 229 H -0.09 0.08 -0.31 -0.55 8.40 7.53 2zdsA1 ASP 229 HA 0.01 0.17 0.49 -0.75 4.63 4.54 2zdsA1 ASP 229 HB2 0.02 0.02 0.11 -0.04 2.71 2.81 2zdsA1 ASP 229 HB3 -0.05 -0.02 0.06 -0.04 2.70 2.64 2zdsA1 ARG 230 H -0.04 0.52 -0.25 -0.55 8.46 8.13 2zdsA1 ARG 230 HA -0.32 0.24 0.85 -0.75 4.34 4.36 2zdsA1 ARG 230 HB2 -0.11 0.00 0.05 -0.04 1.90 1.80 2zdsA1 ARG 230 HB3 -0.37 -0.15 0.23 -0.04 1.80 1.47 2zdsA1 ARG 230 HG2 0.01 -0.08 -0.36 -0.04 1.67 1.19 2zdsA1 ARG 230 HG3 0.02 -0.06 -0.04 -0.04 1.67 1.55 2zdsA1 ARG 230 HD2 -0.18 0.14 0.06 -0.04 3.22 3.20 2zdsA1 ARG 230 HD3 -0.08 0.10 0.01 -0.04 3.22 3.22 2zdsA1 ILE 231 H -0.01 0.33 -0.10 -0.55 8.25 7.91 2zdsA1 ILE 231 HA -0.05 0.08 1.21 -0.75 4.18 4.66 2zdsA1 ILE 231 HB -0.02 -0.10 0.05 -0.04 1.89 1.79 2zdsA1 ILE 231 HG12 -0.11 -0.04 -0.22 -0.04 1.49 1.07 2zdsA1 ILE 231 HG13 -0.28 -0.06 -0.04 -0.04 1.21 0.79 2zdsA1 ILE 231 HG23 -0.03 0.00 -0.13 -0.04 0.93 0.73 2zdsA1 ILE 231 HD13 0.10 0.02 0.08 -0.04 0.88 1.04 2zdsA1 TYR 232 H 0.07 0.51 0.36 -0.55 8.29 8.68 2zdsA1 TYR 232 HA 0.11 0.20 0.57 -0.75 4.56 4.69 2zdsA1 TYR 232 HB2 -0.02 -0.06 -0.03 -0.04 3.06 2.90 2zdsA1 TYR 232 HB3 0.04 -0.04 -0.11 -0.04 2.98 2.83 2zdsA1 TYR 232 HD2 0.00 0.04 -0.46 -0.04 7.15 6.68 2zdsA1 TYR 232 HE2 0.03 0.15 -0.10 -0.04 6.85 6.89 2zdsA1 HIS 233 H 0.18 0.35 0.26 -0.55 8.41 8.65 2zdsA1 HIS 233 HA 0.24 0.20 0.54 -0.75 4.63 4.85 2zdsA1 HIS 233 HB2 0.08 0.12 -0.34 -0.04 3.26 3.08 2zdsA1 HIS 233 HB3 0.00 -0.13 -0.12 -0.04 3.20 2.91 2zdsA1 HIS 233 HD2 0.10 0.12 -0.02 -0.04 6.97 7.13 2zdsA1 HIS 233 HE1 0.03 -0.12 -0.19 -0.04 7.75 7.42 2zdsA1 VAL 234 H -0.72 0.32 0.12 -0.55 8.24 7.41 2zdsA1 VAL 234 HA -0.07 0.21 0.97 -0.75 4.13 4.49 2zdsA1 VAL 234 HB -0.39 0.15 0.12 -0.04 2.12 1.96 2zdsA1 VAL 234 HG13 -0.10 -0.01 -0.15 -0.04 0.97 0.66 2zdsA1 VAL 234 HG23 -0.79 0.01 -0.21 -0.04 0.95 -0.08 2zdsA1 ASP 235 H -0.05 0.85 0.19 -0.55 8.40 8.85 2zdsA1 ASP 235 HA 0.04 0.17 0.77 -0.75 4.63 4.85 2zdsA1 ASP 235 HB2 -0.01 0.02 -0.08 -0.04 2.71 2.60 2zdsA1 ASP 235 HB3 0.01 -0.09 -0.20 -0.04 2.70 2.38 2zdsA1 CYS 236 H 0.11 0.90 0.18 -0.55 8.50 9.14 2zdsA1 CYS 236 HA 0.36 0.07 0.63 -0.75 4.58 4.88 2zdsA1 CYS 236 HB2 0.10 0.02 0.26 -0.04 2.97 3.31 2zdsA1 CYS 236 HB3 -0.14 -0.07 0.04 -0.04 2.97 2.76 2zdsA1 LYS 237 H 0.19 0.30 0.30 -0.55 8.42 8.65 2zdsA1 LYS 237 HA 0.10 0.26 0.79 -0.75 4.32 4.72 2zdsA1 LYS 237 HB2 0.03 -0.02 -0.04 -0.04 1.87 1.80 2zdsA1 LYS 237 HB3 0.07 -0.14 0.07 -0.04 1.79 1.74 2zdsA1 LYS 237 HG2 -0.12 0.06 0.04 -0.04 1.46 1.40 2zdsA1 LYS 237 HG3 -0.13 0.24 0.09 -0.04 1.46 1.62 2zdsA1 LYS 237 HD2 -0.13 -0.03 -0.07 -0.04 1.69 1.42 2zdsA1 LYS 237 HD3 -0.19 -0.05 -0.07 -0.04 1.68 1.33 2zdsA1 LYS 237 HE2 -1.63 -0.00 -0.08 -0.04 2.99 1.24 2zdsA1 LYS 237 HE3 -0.47 0.01 -0.17 -0.04 2.99 2.32 2zdsA1 GLU 238 H 0.15 0.29 0.21 -0.55 8.60 8.71 2zdsA1 GLU 238 HA 0.29 0.05 0.68 -0.75 4.29 4.56 2zdsA1 GLU 238 HB2 0.51 -0.08 -0.07 -0.04 2.09 2.42 2zdsA1 GLU 238 HB3 0.20 0.44 0.01 -0.04 1.99 2.59 2zdsA1 GLU 238 HG2 0.29 0.20 -0.38 -0.04 2.34 2.41 2zdsA1 GLU 238 HG3 0.22 0.01 -0.34 -0.04 2.34 2.19 2zdsA1 ALA 239 H 0.09 0.12 0.28 -0.55 8.40 8.34 2zdsA1 ALA 239 HA 0.19 0.23 0.95 -0.75 4.34 4.95 2zdsA1 ALA 239 HB3 0.08 0.01 -0.00 -0.04 1.41 1.46 2zdsA1 ARG 240 H 0.19 0.67 0.29 -0.55 8.46 9.06 2zdsA1 ARG 240 HA 0.10 0.06 0.97 -0.75 4.34 4.72 2zdsA1 ARG 240 HB2 0.12 0.01 -0.02 -0.04 1.90 1.97 2zdsA1 ARG 240 HB3 0.11 -0.03 0.00 -0.04 1.80 1.84 2zdsA1 ARG 240 HG2 0.09 0.05 -0.44 -0.04 1.67 1.33 2zdsA1 ARG 240 HG3 0.09 0.01 0.04 -0.04 1.67 1.77 2zdsA1 ARG 240 HD2 0.08 -0.08 -0.06 -0.04 3.22 3.12 2zdsA1 ARG 240 HD3 0.07 -0.00 -0.06 -0.04 3.22 3.19 2zdsA1 LYS 241 H 0.10 0.12 0.14 -0.55 8.42 8.23 2zdsA1 LYS 241 HA 0.22 0.19 0.93 -0.75 4.32 4.91 2zdsA1 LYS 241 HB2 0.09 -0.02 0.09 -0.04 1.87 1.99 2zdsA1 LYS 241 HB3 0.11 0.01 0.02 -0.04 1.79 1.90 2zdsA1 LYS 241 HG2 0.19 0.04 -0.07 -0.04 1.46 1.58 2zdsA1 LYS 241 HG3 0.12 -0.13 -0.13 -0.04 1.46 1.27 2zdsA1 LYS 241 HD2 0.07 0.00 -0.02 -0.04 1.69 1.71 2zdsA1 LYS 241 HD3 0.05 0.13 -0.10 -0.04 1.68 1.72 2zdsA1 LYS 241 HE2 0.01 -0.00 -0.03 -0.04 2.99 2.93 2zdsA1 LYS 241 HE3 0.05 -0.06 0.03 -0.04 2.99 2.97 2zdsA1 ARG 242 H 0.11 0.79 0.06 -0.55 8.46 8.86 2zdsA1 ARG 242 HA 0.06 0.05 0.32 -0.75 4.34 4.01 2zdsA1 ARG 242 HB2 0.05 0.02 -0.15 -0.04 1.90 1.78 2zdsA1 ARG 242 HB3 0.03 0.09 0.14 -0.04 1.80 2.03 2zdsA1 ARG 242 HG2 0.03 -0.07 -0.07 -0.04 1.67 1.52 2zdsA1 ARG 242 HG3 0.04 0.03 0.04 -0.04 1.67 1.73 2zdsA1 ARG 242 HD2 0.03 -0.02 -0.01 -0.04 3.22 3.17 2zdsA1 ARG 242 HD3 0.02 0.10 0.02 -0.04 3.22 3.31 2zdsA1 LEU 243 H 0.06 0.20 -0.07 -0.55 8.37 8.01 2zdsA1 LEU 243 HA 0.05 0.15 0.68 -0.75 4.35 4.47 2zdsA1 LEU 243 HB2 0.06 0.01 0.17 -0.04 1.64 1.84 2zdsA1 LEU 243 HB3 0.05 -0.00 0.09 -0.04 1.64 1.75 2zdsA1 LEU 243 HG 0.09 -0.00 -0.02 -0.04 1.64 1.66 2zdsA1 LEU 243 HD13 0.11 0.05 -0.26 -0.04 0.93 0.79 2zdsA1 LEU 243 HD23 0.11 0.00 -0.02 -0.04 0.89 0.94 2zdsA1 ASP 244 H 0.03 0.24 0.10 -0.55 8.40 8.22 2zdsA1 ASP 244 HA 0.02 0.19 0.59 -0.75 4.63 4.68 2zdsA1 ASP 244 HB2 0.01 0.04 0.15 -0.04 2.71 2.87 2zdsA1 ASP 244 HB3 0.02 0.06 -0.03 -0.04 2.70 2.71 2zdsA1 GLY 245 H 0.03 0.15 -0.31 -0.55 8.43 7.75 2zdsA1 GLY 245 HA2 0.02 0.03 0.30 -0.51 4.01 3.84 2zdsA1 GLY 245 HA3 0.01 0.18 0.68 -0.51 4.01 4.37 2zdsA1 ARG 246 H 0.01 0.00 -0.47 -0.55 8.46 7.45 2zdsA1 ARG 246 HA 0.00 0.19 0.84 -0.75 4.34 4.61 2zdsA1 ARG 246 HB2 -0.00 -0.06 0.07 -0.04 1.90 1.87 2zdsA1 ARG 246 HB3 -0.01 0.02 -0.04 -0.04 1.80 1.73 2zdsA1 ARG 246 HG2 -0.00 0.03 -0.02 -0.04 1.67 1.64 2zdsA1 ARG 246 HG3 0.00 0.01 -0.13 -0.04 1.67 1.52 2zdsA1 ARG 246 HD2 -0.00 -0.01 -0.02 -0.04 3.22 3.14 2zdsA1 ARG 246 HD3 -0.00 0.00 -0.02 -0.04 3.22 3.15 2zdsA1 ASN 247 H 0.00 -0.03 0.07 -0.55 8.53 8.03 2zdsA1 ASN 247 HA -0.02 0.20 0.49 -0.75 4.76 4.68 2zdsA1 ASN 247 HB2 0.02 -0.20 0.17 -0.04 2.88 2.82 2zdsA1 ASN 247 HB3 -0.00 -0.02 -0.31 -0.04 2.79 2.41 2zdsA1 ASN 247 HD21 -0.01 0.19 0.11 -0.04 7.03 7.28 2zdsA1 ASN 247 HD22 0.00 0.34 0.01 -0.04 7.74 8.06 2zdsA1 GLY 248 H -0.01 0.11 0.24 -0.55 8.43 8.22 2zdsA1 GLY 248 HA2 0.05 0.27 0.86 -0.51 4.01 4.67 2zdsA1 GLY 248 HA3 0.02 0.04 0.30 -0.51 4.01 3.86 2zdsA1 ARG 249 H 0.10 0.25 0.15 -0.55 8.46 8.41 2zdsA1 ARG 249 HA 0.24 0.08 0.22 -0.75 4.34 4.12 2zdsA1 ARG 249 HB2 0.25 -0.01 0.06 -0.04 1.90 2.15 2zdsA1 ARG 249 HB3 0.49 0.11 0.07 -0.04 1.80 2.43 2zdsA1 ARG 249 HG2 0.16 -0.08 0.05 -0.04 1.67 1.75 2zdsA1 ARG 249 HG3 0.16 0.03 0.07 -0.04 1.67 1.88 2zdsA1 ARG 249 HD2 0.24 0.20 0.09 -0.04 3.22 3.71 2zdsA1 ARG 249 HD3 0.26 -0.07 0.07 -0.04 3.22 3.44 2zdsA1 LEU 250 H 0.02 0.00 -0.36 -0.55 8.37 7.48 2zdsA1 LEU 250 HA -0.28 0.19 0.54 -0.75 4.35 4.04 2zdsA1 LEU 250 HB2 -0.01 -0.05 0.07 -0.04 1.64 1.60 2zdsA1 LEU 250 HB3 -0.07 0.00 0.07 -0.04 1.64 1.60 2zdsA1 LEU 250 HG 0.08 -0.03 -0.04 -0.04 1.64 1.61 2zdsA1 LEU 250 HD13 0.04 0.02 -0.01 -0.04 0.93 0.94 2zdsA1 LEU 250 HD23 0.05 0.03 -0.03 -0.04 0.89 0.90 2zdsA1 GLY 251 H -0.09 0.32 -0.10 -0.55 8.43 8.01 2zdsA1 GLY 251 HA2 -0.28 -0.12 0.44 -0.51 4.01 3.54 2zdsA1 GLY 251 HA3 -0.43 0.21 0.64 -0.51 4.01 3.92 2zdsA1 SER 252 H -0.09 0.01 -0.31 -0.55 8.46 7.52 2zdsA1 SER 252 HA 0.02 0.03 0.24 -0.75 4.49 4.02 2zdsA1 SER 252 HB2 -0.08 0.12 -0.02 -0.04 3.95 3.94 2zdsA1 SER 252 HB3 -0.03 0.04 0.12 -0.04 3.93 4.02 2zdsA1 HIS 253 H -0.17 0.09 -0.33 -0.55 8.41 7.45 2zdsA1 HIS 253 HA -0.20 -0.00 0.20 -0.75 4.63 3.87 2zdsA1 HIS 253 HB2 -0.10 0.18 0.07 -0.04 3.26 3.37 2zdsA1 HIS 253 HB3 -0.11 -0.03 0.20 -0.04 3.20 3.22 2zdsA1 HIS 253 HD2 -0.07 -0.11 -0.25 -0.04 6.97 6.49 2zdsA1 HIS 253 HE1 -0.00 -0.00 -0.02 -0.04 7.75 7.67 2zdsA1 LEU 254 H -0.25 0.34 -0.22 -0.55 8.37 7.69 2zdsA1 LEU 254 HA -0.15 0.14 0.56 -0.75 4.35 4.14 2zdsA1 LEU 254 HB2 -0.21 0.09 0.05 -0.04 1.64 1.53 2zdsA1 LEU 254 HB3 -0.16 -0.02 0.04 -0.04 1.64 1.45 2zdsA1 LEU 254 HG -0.10 0.14 -0.17 -0.04 1.64 1.48 2zdsA1 LEU 254 HD13 -0.09 -0.03 -0.15 -0.04 0.93 0.62 2zdsA1 LEU 254 HD23 -0.08 -0.00 -0.04 -0.04 0.89 0.72 2zdsA1 PRO 255 HA -0.49 0.05 0.45 -0.51 4.44 3.94 2zdsA1 PRO 255 HB2 -0.09 0.13 0.02 -0.04 2.28 2.30 2zdsA1 PRO 255 HB3 -0.14 0.01 0.11 -0.04 2.02 1.96 2zdsA1 PRO 255 HG2 -0.08 0.03 0.05 -0.04 2.03 1.99 2zdsA1 PRO 255 HG3 -0.09 0.04 0.08 -0.04 2.03 2.03 2zdsA1 PRO 255 HD2 -0.13 0.04 0.18 -0.04 3.68 3.74 2zdsA1 PRO 255 HD3 -0.13 0.19 0.22 -0.04 3.65 3.90 2zdsA1 TRP 256 H -0.61 0.08 0.17 -0.55 7.97 7.07 2zdsA1 TRP 256 HA -0.19 0.04 0.56 -0.75 4.62 4.28 2zdsA1 TRP 256 HB2 -0.03 0.03 0.12 -0.04 3.23 3.30 2zdsA1 TRP 256 HB3 -0.04 -0.08 0.12 -0.04 3.23 3.19 2zdsA1 TRP 256 HD1 0.00 0.02 0.06 -0.04 7.22 7.26 2zdsA1 TRP 256 HE1 0.06 0.02 0.00 -0.04 10.20 10.24 2zdsA1 TRP 256 HE3 -0.43 -0.04 0.13 -0.04 7.59 7.21 2zdsA1 TRP 256 HZ2 0.18 0.01 -0.02 -0.04 7.44 7.56 2zdsA1 TRP 256 HZ3 -1.74 0.04 -0.03 -0.04 7.13 5.37 2zdsA1 TRP 256 HH2 -0.13 0.02 -0.04 -0.04 7.19 7.00 2zdsA1 GLY 257 H 0.11 0.12 0.17 -0.55 8.43 8.27 2zdsA1 GLY 257 HA2 0.03 -0.04 0.24 -0.51 4.01 3.73 2zdsA1 GLY 257 HA3 0.05 0.17 0.50 -0.51 4.01 4.22 2zdsA1 ASP 258 H -0.06 0.47 -0.27 -0.55 8.40 7.99 2zdsA1 ASP 258 HA -0.04 0.15 0.64 -0.75 4.63 4.63 2zdsA1 ASP 258 HB2 -0.09 0.08 0.06 -0.04 2.71 2.72 2zdsA1 ASP 258 HB3 -0.13 -0.01 0.06 -0.04 2.70 2.59 2zdsA1 PRO 259 HA -0.02 0.10 0.27 -0.51 4.44 4.28 2zdsA1 PRO 259 HB2 -0.01 0.02 0.00 -0.04 2.28 2.25 2zdsA1 PRO 259 HB3 -0.01 0.05 0.10 -0.04 2.02 2.12 2zdsA1 PRO 259 HG2 -0.02 -0.01 0.03 -0.04 2.03 1.98 2zdsA1 PRO 259 HG3 -0.01 0.05 0.07 -0.04 2.03 2.09 2zdsA1 PRO 259 HD2 -0.03 0.04 0.24 -0.04 3.68 3.88 2zdsA1 PRO 259 HD3 -0.02 0.27 0.27 -0.04 3.65 4.13 2zdsA1 ARG 260 H -0.05 0.03 -0.50 -0.55 8.46 7.39 2zdsA1 ARG 260 HA -0.04 0.13 0.61 -0.75 4.34 4.28 2zdsA1 ARG 260 HB2 -0.06 0.02 -0.03 -0.04 1.90 1.78 2zdsA1 ARG 260 HB3 -0.05 -0.02 0.06 -0.04 1.80 1.76 2zdsA1 ARG 260 HG2 -0.03 0.01 -0.07 -0.04 1.67 1.55 2zdsA1 ARG 260 HG3 -0.03 -0.06 -0.10 -0.04 1.67 1.44 2zdsA1 ARG 260 HD2 -0.03 0.01 -0.03 -0.04 3.22 3.12 2zdsA1 ARG 260 HD3 -0.03 0.00 -0.03 -0.04 3.22 3.13 2zdsA1 ARG 261 H -0.11 0.49 -0.25 -0.55 8.46 8.04 2zdsA1 ARG 261 HA -0.18 -0.01 0.64 -0.75 4.34 4.04 2zdsA1 ARG 261 HB2 -0.21 0.04 -0.00 -0.04 1.90 1.69 2zdsA1 ARG 261 HB3 -0.42 -0.00 0.06 -0.04 1.80 1.40 2zdsA1 ARG 261 HG2 -0.35 0.09 0.07 -0.04 1.67 1.44 2zdsA1 ARG 261 HG3 -0.23 0.05 0.03 -0.04 1.67 1.48 2zdsA1 ARG 261 HD2 -0.26 -0.19 -0.02 -0.04 3.22 2.71 2zdsA1 ARG 261 HD3 -0.49 0.18 0.11 -0.04 3.22 2.98 2zdsA1 GLY 262 H -0.10 0.09 0.22 -0.55 8.43 8.10 2zdsA1 GLY 262 HA2 0.04 0.14 0.20 -0.51 4.01 3.88 2zdsA1 GLY 262 HA3 0.08 0.10 0.03 -0.51 4.01 3.71 2zdsA1 TRP 263 H -0.27 0.16 -0.20 -0.55 7.97 7.12 2zdsA1 TRP 263 HA -0.02 0.26 0.68 -0.75 4.62 4.79 2zdsA1 TRP 263 HB2 -0.01 -0.03 -0.11 -0.04 3.23 3.04 2zdsA1 TRP 263 HB3 0.04 0.01 -0.20 -0.04 3.23 3.04 2zdsA1 TRP 263 HD1 -0.24 0.03 -0.12 -0.04 7.22 6.84 2zdsA1 TRP 263 HE1 -1.25 0.10 -0.08 -0.04 10.20 8.92 2zdsA1 TRP 263 HE3 -0.27 0.08 -0.34 -0.04 7.59 7.02 2zdsA1 TRP 263 HZ2 -0.27 0.03 -0.06 -0.04 7.44 7.09 2zdsA1 TRP 263 HZ3 -1.68 -0.03 -0.24 -0.04 7.13 5.13 2zdsA1 TRP 263 HH2 -0.65 -0.02 -0.10 -0.04 7.19 6.38 2zdsA1 ASP 264 H 0.22 0.56 0.28 -0.55 8.40 8.91 2zdsA1 ASP 264 HA -0.49 0.06 0.65 -0.75 4.63 4.10 2zdsA1 ASP 264 HB2 -0.08 0.11 -0.37 -0.04 2.71 2.32 2zdsA1 ASP 264 HB3 -0.00 0.04 -0.11 -0.04 2.70 2.59 2zdsA1 PHE 265 H -0.25 0.07 0.15 -0.55 8.34 7.77 2zdsA1 PHE 265 HA 0.02 0.21 0.88 -0.75 4.62 4.97 2zdsA1 PHE 265 HB2 -0.43 -0.15 0.07 -0.04 3.15 2.59 2zdsA1 PHE 265 HB3 -0.30 0.18 -0.06 -0.04 3.06 2.85 2zdsA1 PHE 265 HD2 -0.83 0.08 0.01 -0.04 7.28 6.50 2zdsA1 PHE 265 HE2 -0.59 -0.03 -0.09 -0.04 7.38 6.63 2zdsA1 PHE 265 HZ 0.13 0.02 -0.08 -0.04 7.32 7.35 2zdsA1 VAL 266 H 0.12 0.47 0.17 -0.55 8.24 8.45 2zdsA1 VAL 266 HA -0.08 0.05 0.84 -0.75 4.13 4.19 2zdsA1 VAL 266 HB 0.06 -0.00 0.02 -0.04 2.12 2.16 2zdsA1 VAL 266 HG13 0.05 0.01 -0.30 -0.04 0.97 0.69 2zdsA1 VAL 266 HG23 0.16 0.04 -0.50 -0.04 0.95 0.61 2zdsA1 SER 267 H -0.04 0.12 0.07 -0.55 8.46 8.07 2zdsA1 SER 267 HA -0.16 0.03 0.39 -0.75 4.49 4.00 2zdsA1 SER 267 HB2 0.19 -0.02 0.02 -0.04 3.95 4.10 2zdsA1 SER 267 HB3 0.25 0.07 -0.01 -0.04 3.93 4.19 2zdsA1 ALA 268 H 0.17 0.11 0.16 -0.55 8.40 8.30 2zdsA1 ALA 268 HA 0.26 -0.10 0.30 -0.75 4.34 4.06 2zdsA1 ALA 268 HB3 -0.10 0.04 0.10 -0.04 1.41 1.40 2zdsA1 GLY 269 H 0.42 0.03 0.12 -0.55 8.43 8.45 2zdsA1 GLY 269 HA2 0.25 0.03 0.33 -0.51 4.01 4.11 2zdsA1 GLY 269 HA3 0.02 0.20 0.57 -0.51 4.01 4.29 2zdsA1 HIS 270 H 0.25 0.53 -0.33 -0.55 8.41 8.31 2zdsA1 HIS 270 HA 0.11 0.21 0.78 -0.75 4.63 4.98 2zdsA1 HIS 270 HB2 0.10 0.07 -0.03 -0.04 3.26 3.36 2zdsA1 HIS 270 HB3 0.09 -0.05 0.07 -0.04 3.20 3.26 2zdsA1 HIS 270 HD2 0.13 0.08 -0.34 -0.04 6.97 6.79 2zdsA1 HIS 270 HE1 0.07 -0.00 -0.07 -0.04 7.75 7.71 2zdsA1 GLY 271 H 0.23 -0.08 -0.33 -0.55 8.43 7.70 2zdsA1 GLY 271 HA2 0.13 0.26 0.81 -0.51 4.01 4.69 2zdsA1 GLY 271 HA3 0.15 -0.11 0.02 -0.51 4.01 3.56 2zdsA1 ASP 272 H 0.04 0.51 0.38 -0.55 8.40 8.77 2zdsA1 ASP 272 HA 0.00 0.26 0.65 -0.75 4.63 4.79 2zdsA1 ASP 272 HB2 -0.02 0.00 0.09 -0.04 2.71 2.74 2zdsA1 ASP 272 HB3 -0.02 0.02 0.13 -0.04 2.70 2.79 2zdsA1 VAL 273 H -0.18 -0.08 0.12 -0.55 8.24 7.55 2zdsA1 VAL 273 HA -0.41 0.15 0.45 -0.75 4.13 3.56 2zdsA1 VAL 273 HB -1.45 -0.08 0.11 -0.04 2.12 0.66 2zdsA1 VAL 273 HG13 -1.52 0.00 -0.19 -0.04 0.97 -0.77 2zdsA1 VAL 273 HG23 -0.36 0.00 0.08 -0.04 0.95 0.63 2zdsA1 PRO 274 HA -0.20 0.17 0.63 -0.51 4.44 4.54 2zdsA1 PRO 274 HB2 -0.10 -0.11 0.21 -0.04 2.28 2.25 2zdsA1 PRO 274 HB3 -0.11 0.13 0.14 -0.04 2.02 2.14 2zdsA1 PRO 274 HG2 -0.16 -0.05 0.14 -0.04 2.03 1.91 2zdsA1 PRO 274 HG3 -0.13 0.07 0.14 -0.04 2.03 2.07 2zdsA1 PRO 274 HD2 -0.35 0.03 0.16 -0.04 3.68 3.48 2zdsA1 PRO 274 HD3 -0.23 0.22 0.25 -0.04 3.65 3.85 2zdsA1 TRP 275 H -0.43 0.51 0.10 -0.55 7.97 7.60 2zdsA1 TRP 275 HA -0.08 0.01 0.18 -0.75 4.62 3.97 2zdsA1 TRP 275 HB2 -1.63 0.04 0.08 -0.04 3.23 1.67 2zdsA1 TRP 275 HB3 -0.83 0.10 0.01 -0.04 3.23 2.46 2zdsA1 TRP 275 HD1 -0.12 0.08 0.04 -0.04 7.22 7.18 2zdsA1 TRP 275 HE1 0.03 -0.26 0.02 -0.04 10.20 9.95 2zdsA1 TRP 275 HE3 0.23 0.05 -0.04 -0.04 7.59 7.78 2zdsA1 TRP 275 HZ2 0.05 -0.11 -0.17 -0.04 7.44 7.16 2zdsA1 TRP 275 HZ3 0.04 0.06 -0.05 -0.04 7.13 7.13 2zdsA1 TRP 275 HH2 0.02 -0.09 -0.09 -0.04 7.19 6.98 2zdsA1 GLU 276 H -0.17 0.08 -0.18 -0.55 8.60 7.78 2zdsA1 GLU 276 HA 0.33 0.16 0.40 -0.75 4.29 4.43 2zdsA1 GLU 276 HB2 0.29 0.02 0.08 -0.04 2.09 2.45 2zdsA1 GLU 276 HB3 0.11 -0.09 0.05 -0.04 1.99 2.03 2zdsA1 GLU 276 HG2 0.17 -0.01 -0.03 -0.04 2.34 2.43 2zdsA1 GLU 276 HG3 0.22 0.02 -0.19 -0.04 2.34 2.35 2zdsA1 ASP 277 H 0.03 0.09 -0.14 -0.55 8.40 7.83 2zdsA1 ASP 277 HA 0.07 0.09 0.54 -0.75 4.63 4.58 2zdsA1 ASP 277 HB2 -0.03 0.04 0.13 -0.04 2.71 2.80 2zdsA1 ASP 277 HB3 -0.02 -0.02 0.02 -0.04 2.70 2.64 2zdsA1 VAL 278 H 0.01 0.39 -0.10 -0.55 8.24 7.99 2zdsA1 VAL 278 HA -0.08 0.00 0.41 -0.75 4.13 3.71 2zdsA1 VAL 278 HB 0.14 -0.00 0.04 -0.04 2.12 2.25 2zdsA1 VAL 278 HG13 -0.02 0.01 -0.20 -0.04 0.97 0.72 2zdsA1 VAL 278 HG23 -0.12 -0.02 -0.10 -0.04 0.95 0.67 2zdsA1 PHE 279 H 0.40 0.56 -0.02 -0.55 8.34 8.73 2zdsA1 PHE 279 HA 0.01 0.02 0.46 -0.75 4.62 4.36 2zdsA1 PHE 279 HB2 0.06 0.08 0.14 -0.04 3.15 3.39 2zdsA1 PHE 279 HB3 -0.10 0.11 -0.02 -0.04 3.06 3.01 2zdsA1 PHE 279 HD2 0.08 0.09 -0.01 -0.04 7.28 7.40 2zdsA1 PHE 279 HE2 0.12 -0.08 -0.08 -0.04 7.38 7.29 2zdsA1 PHE 279 HZ 0.16 -0.07 -0.09 -0.04 7.32 7.28 2zdsA1 ARG 280 H 0.21 0.33 -0.21 -0.55 8.46 8.23 2zdsA1 ARG 280 HA 0.17 0.04 0.38 -0.75 4.34 4.17 2zdsA1 ARG 280 HB2 0.12 0.04 0.18 -0.04 1.90 2.20 2zdsA1 ARG 280 HB3 0.13 -0.09 0.13 -0.04 1.80 1.93 2zdsA1 ARG 280 HG2 0.39 -0.03 0.05 -0.04 1.67 2.04 2zdsA1 ARG 280 HG3 0.33 0.23 0.17 -0.04 1.67 2.36 2zdsA1 ARG 280 HD2 0.29 -0.05 -0.01 -0.04 3.22 3.41 2zdsA1 ARG 280 HD3 0.15 -0.10 -0.03 -0.04 3.22 3.20 2zdsA1 LEU 282 HA -0.08 -0.11 0.28 -0.75 4.35 3.68 2zdsA1 LEU 282 HB2 -0.11 0.14 0.05 -0.04 1.64 1.68 2zdsA1 LEU 282 HB3 -0.03 -0.00 -0.05 -0.04 1.64 1.52 2zdsA1 LEU 282 HG -0.31 0.21 0.02 -0.04 1.64 1.51 2zdsA1 LEU 282 HD13 -0.52 -0.03 -0.10 -0.04 0.93 0.24 2zdsA1 LEU 282 HD23 -0.47 -0.04 -0.02 -0.04 0.89 0.32 2zdsA1 ARG 283 H 0.04 0.53 -0.74 -0.55 8.46 7.74 2zdsA1 ARG 283 HA 0.04 0.06 0.69 -0.75 4.34 4.38 2zdsA1 ARG 283 HB2 0.06 0.03 0.12 -0.04 1.90 2.07 2zdsA1 ARG 283 HB3 0.09 0.13 0.23 -0.04 1.80 2.20 2zdsA1 ARG 283 HG2 0.07 -0.04 -0.13 -0.04 1.67 1.52 2zdsA1 ARG 283 HG3 0.05 -0.03 0.08 -0.04 1.67 1.73 2zdsA1 ARG 283 HD2 0.08 0.03 0.02 -0.04 3.22 3.31 2zdsA1 ARG 283 HD3 0.12 0.03 0.03 -0.04 3.22 3.36 2zdsA1 SER 284 H 0.08 0.58 0.24 -0.55 8.46 8.81 2zdsA1 SER 284 HA 0.10 0.03 0.36 -0.75 4.49 4.22 2zdsA1 SER 284 HB2 0.16 -0.00 -0.08 -0.04 3.95 3.99 2zdsA1 SER 284 HB3 0.22 -0.06 0.03 -0.04 3.93 4.07 2zdsA1 ILE 285 H 0.07 0.15 -0.51 -0.55 8.25 7.41 2zdsA1 ILE 285 HA 0.01 0.14 0.78 -0.75 4.18 4.36 2zdsA1 ILE 285 HB -0.03 0.04 0.11 -0.04 1.89 1.96 2zdsA1 ILE 285 HG12 -0.01 -0.02 -0.06 -0.04 1.49 1.37 2zdsA1 ILE 285 HG13 0.04 0.07 -0.26 -0.04 1.21 1.02 2zdsA1 ILE 285 HG23 0.05 -0.00 -0.17 -0.04 0.93 0.77 2zdsA1 ILE 285 HD13 -0.08 0.00 -0.02 -0.04 0.88 0.75 2zdsA1 ASP 286 H 0.04 0.40 -0.38 -0.55 8.40 7.92 2zdsA1 ASP 286 HA 0.01 0.06 0.34 -0.75 4.63 4.29 2zdsA1 ASP 286 HB2 0.01 -0.02 -0.18 -0.04 2.71 2.47 2zdsA1 ASP 286 HB3 -0.01 0.09 0.02 -0.04 2.70 2.77 2zdsA1 TYR 287 H 0.10 0.55 0.02 -0.55 8.29 8.41 2zdsA1 TYR 287 HA -0.05 0.11 0.67 -0.75 4.56 4.53 2zdsA1 TYR 287 HB2 -0.09 -0.00 0.04 -0.04 3.06 2.97 2zdsA1 TYR 287 HB3 -0.11 0.04 0.10 -0.04 2.98 2.97 2zdsA1 TYR 287 HD2 -0.11 0.13 -0.14 -0.04 7.15 6.99 2zdsA1 TYR 287 HE2 -0.13 0.09 -0.48 -0.04 6.85 6.29 2zdsA1 GLN 288 H -0.52 0.12 0.18 -0.55 8.47 7.70 2zdsA1 GLN 288 HA -0.32 0.23 0.70 -0.75 4.36 4.22 2zdsA1 GLN 288 HB2 -0.21 0.00 0.06 -0.04 2.15 1.96 2zdsA1 GLN 288 HB3 -0.20 -0.05 0.10 -0.04 2.02 1.83 2zdsA1 GLN 288 HG2 -0.11 0.19 -0.26 -0.04 2.40 2.18 2zdsA1 GLN 288 HG3 -0.09 -0.06 -0.03 -0.04 2.39 2.16 2zdsA1 GLN 288 HE21 -0.05 -0.03 -0.06 -0.04 6.97 6.79 2zdsA1 GLN 288 HE22 -0.05 -0.00 -0.14 -0.04 7.69 7.46 2zdsA1 GLY 289 H -1.62 -0.02 -0.06 -0.55 8.43 6.19 2zdsA1 GLY 289 HA2 -0.44 0.06 0.41 -0.51 4.01 3.53 2zdsA1 GLY 289 HA3 -0.52 0.04 0.31 -0.51 4.01 3.33 2zdsA1 PRO 290 HA -0.43 0.22 0.63 -0.51 4.44 4.35 2zdsA1 PRO 290 HB2 -0.07 -0.05 -0.24 -0.04 2.28 1.88 2zdsA1 PRO 290 HB3 -0.61 0.02 -0.05 -0.04 2.02 1.33 2zdsA1 PRO 290 HG2 0.10 -0.06 -0.05 -0.04 2.03 1.98 2zdsA1 PRO 290 HG3 0.20 -0.05 -0.03 -0.04 2.03 2.10 2zdsA1 PRO 290 HD2 -0.02 0.10 0.21 -0.04 3.68 3.93 2zdsA1 PRO 290 HD3 -0.37 0.17 0.14 -0.04 3.65 3.54 2zdsA1 VAL 291 H -0.35 0.75 0.28 -0.55 8.24 8.37 2zdsA1 VAL 291 HA -0.18 0.11 0.83 -0.75 4.13 4.14 2zdsA1 VAL 291 HB -1.02 -0.00 0.12 -0.04 2.12 1.17 2zdsA1 VAL 291 HG13 0.04 -0.02 -0.13 -0.04 0.97 0.82 2zdsA1 VAL 291 HG23 -0.28 0.03 -0.13 -0.04 0.95 0.53 2zdsA1 SER 292 H -0.10 0.59 0.16 -0.55 8.46 8.56 2zdsA1 SER 292 HA 0.20 0.14 0.78 -0.75 4.49 4.86 2zdsA1 SER 292 HB2 0.19 0.06 -0.06 -0.04 3.95 4.10 2zdsA1 SER 292 HB3 0.17 -0.06 0.02 -0.04 3.93 4.02 2zdsA1 VAL 293 H 0.24 0.47 0.28 -0.55 8.24 8.67 2zdsA1 VAL 293 HA 0.21 0.22 0.97 -0.75 4.13 4.78 2zdsA1 VAL 293 HB 0.34 -0.01 0.25 -0.04 2.12 2.67 2zdsA1 VAL 293 HG13 0.34 -0.01 -0.14 -0.04 0.97 1.12 2zdsA1 VAL 293 HG23 0.38 0.03 -0.12 -0.04 0.95 1.20 2zdsA1 GLU 294 H 0.17 0.39 -0.06 -0.55 8.60 8.55 2zdsA1 GLU 294 HA 0.37 0.06 0.92 -0.75 4.29 4.89 2zdsA1 GLU 294 HB2 0.10 -0.02 -0.06 -0.04 2.09 2.06 2zdsA1 GLU 294 HB3 0.05 0.01 0.04 -0.04 1.99 2.05 2zdsA1 GLU 294 HG2 0.04 0.04 -0.30 -0.04 2.34 2.08 2zdsA1 GLU 294 HG3 0.49 -0.06 -0.05 -0.04 2.34 2.69 2zdsA1 TRP 295 H 0.49 0.20 0.08 -0.55 7.97 8.19 2zdsA1 TRP 295 HA 0.11 0.14 0.58 -0.75 4.62 4.70 2zdsA1 TRP 295 HB2 0.25 0.07 -0.01 -0.04 3.23 3.50 2zdsA1 TRP 295 HB3 0.33 -0.00 0.07 -0.04 3.23 3.59 2zdsA1 TRP 295 HD1 0.12 0.06 -0.12 -0.04 7.22 7.23 2zdsA1 TRP 295 HE1 0.05 0.08 -0.17 -0.04 10.20 10.11 2zdsA1 TRP 295 HE3 -0.11 0.01 -0.32 -0.04 7.59 7.13 2zdsA1 TRP 295 HZ2 -0.02 0.08 -0.16 -0.04 7.44 7.30 2zdsA1 TRP 295 HZ3 -0.13 0.01 -0.08 -0.04 7.13 6.88 2zdsA1 TRP 295 HH2 -0.05 0.23 -0.16 -0.04 7.19 7.17 2zdsA1 GLU 296 H -1.05 0.27 0.09 -0.55 8.60 7.37 2zdsA1 GLU 296 HA -0.56 0.08 0.61 -0.75 4.29 3.66 2zdsA1 GLU 296 HB2 -0.41 0.06 -0.33 -0.04 2.09 1.37 2zdsA1 GLU 296 HB3 -0.61 0.01 -0.05 -0.04 1.99 1.29 2zdsA1 GLU 296 HG2 -0.48 -0.06 -0.18 -0.04 2.34 1.58 2zdsA1 GLU 296 HG3 -0.37 -0.02 -0.00 -0.04 2.34 1.90 2zdsA1 ASP 297 H -0.59 0.20 -0.10 -0.55 8.40 7.36 2zdsA1 ASP 297 HA -0.25 0.29 0.39 -0.75 4.63 4.30 2zdsA1 ASP 297 HB2 -0.71 0.06 -0.35 -0.04 2.71 1.67 2zdsA1 ASP 297 HB3 -0.36 0.05 -0.02 -0.04 2.70 2.34 2zdsA1 ALA 298 H -0.05 0.20 0.09 -0.55 8.40 8.10 2zdsA1 ALA 298 HA 0.04 0.09 0.38 -0.75 4.34 4.11 2zdsA1 ALA 298 HB3 0.09 0.01 -0.07 -0.04 1.41 1.40 2zdsA1 GLY 299 H 0.00 -0.01 -0.46 -0.55 8.43 7.42 2zdsA1 GLY 299 HA2 0.03 0.20 0.50 -0.51 4.01 4.22 2zdsA1 GLY 299 HA3 0.02 0.03 0.15 -0.51 4.01 3.70 2zdsA1 ASP 301 HA 0.02 -0.04 0.29 -0.75 4.63 4.15 2zdsA1 ASP 301 HB2 0.00 0.11 0.09 -0.04 2.71 2.87 2zdsA1 ASP 301 HB3 -0.02 -0.01 0.12 -0.04 2.70 2.75 2zdsA1 ARG 302 H -0.28 0.20 0.12 -0.55 8.46 7.95 2zdsA1 ARG 302 HA -2.26 0.02 0.32 -0.75 4.34 1.67 2zdsA1 ARG 302 HB2 -0.94 0.02 0.03 -0.04 1.90 0.97 2zdsA1 ARG 302 HB3 -0.60 0.04 0.08 -0.04 1.80 1.27 2zdsA1 ARG 302 HG2 -0.35 -0.06 0.10 -0.04 1.67 1.31 2zdsA1 ARG 302 HG3 -0.47 0.05 -0.12 -0.04 1.67 1.09 2zdsA1 ARG 302 HD2 -1.98 0.02 -0.04 -0.04 3.22 1.19 2zdsA1 ARG 302 HD3 -0.58 0.02 0.03 -0.04 3.22 2.65 2zdsA1 LEU 303 H -0.17 0.08 -0.20 -0.55 8.37 7.53 2zdsA1 LEU 303 HA 0.16 0.12 0.49 -0.75 4.35 4.36 2zdsA1 LEU 303 HB2 -0.00 -0.01 -0.03 -0.04 1.64 1.56 2zdsA1 LEU 303 HB3 0.12 0.08 0.00 -0.04 1.64 1.80 2zdsA1 LEU 303 HG 0.04 -0.10 0.02 -0.04 1.64 1.56 2zdsA1 LEU 303 HD13 0.05 0.02 -0.01 -0.04 0.93 0.95 2zdsA1 LEU 303 HD23 0.31 0.01 -0.02 -0.04 0.89 1.15 2zdsA1 GLN 304 H -0.18 0.19 -0.27 -0.55 8.47 7.67 2zdsA1 GLN 304 HA -0.11 0.16 0.75 -0.75 4.36 4.41 2zdsA1 GLN 304 HB2 -0.04 -0.05 0.06 -0.04 2.15 2.09 2zdsA1 GLN 304 HB3 -0.05 0.17 0.14 -0.04 2.02 2.24 2zdsA1 GLN 304 HG2 0.00 -0.01 -0.22 -0.04 2.40 2.13 2zdsA1 GLN 304 HG3 -0.02 -0.01 0.04 -0.04 2.39 2.37 2zdsA1 GLN 304 HE21 0.02 -0.01 -0.01 -0.04 6.97 6.93 2zdsA1 GLN 304 HE22 0.01 0.00 -0.00 -0.04 7.69 7.66 2zdsA1 GLY 305 H -0.42 0.43 0.05 -0.55 8.43 7.94 2zdsA1 GLY 305 HA2 0.10 0.06 0.25 -0.51 4.01 3.91 2zdsA1 GLY 305 HA3 0.00 -0.00 0.21 -0.51 4.01 3.70 2zdsA1 ALA 306 H -0.87 0.65 0.00 -0.55 8.40 7.65 2zdsA1 ALA 306 HA -0.14 -0.07 0.44 -0.75 4.34 3.82 2zdsA1 ALA 306 HB3 -0.27 0.01 0.08 -0.04 1.41 1.19 2zdsA1 PRO 307 HA -0.16 0.18 0.63 -0.51 4.44 4.57 2zdsA1 PRO 307 HB2 -0.12 0.04 0.02 -0.04 2.28 2.18 2zdsA1 PRO 307 HB3 -0.13 0.07 0.16 -0.04 2.02 2.08 2zdsA1 PRO 307 HG2 -0.25 0.09 0.05 -0.04 2.03 1.89 2zdsA1 PRO 307 HG3 -0.39 0.10 0.08 -0.04 2.03 1.79 2zdsA1 PRO 307 HD2 -0.58 -0.07 -0.62 -0.04 3.68 2.38 2zdsA1 PRO 307 HD3 -1.81 0.09 0.03 -0.04 3.65 1.92 2zdsA1 GLU 308 H -0.13 0.35 -0.22 -0.55 8.60 8.06 2zdsA1 GLU 308 HA -0.04 0.05 0.44 -0.75 4.29 3.98 2zdsA1 GLU 308 HB2 0.00 0.08 0.11 -0.04 2.09 2.24 2zdsA1 GLU 308 HB3 0.08 0.01 0.11 -0.04 1.99 2.14 2zdsA1 GLU 308 HG2 0.07 -0.04 -0.17 -0.04 2.34 2.16 2zdsA1 GLU 308 HG3 0.04 -0.01 0.00 -0.04 2.34 2.34 2zdsA1 ALA 309 H 0.11 0.76 -0.05 -0.55 8.40 8.67 2zdsA1 ALA 309 HA 0.10 0.04 0.42 -0.75 4.34 4.15 2zdsA1 ALA 309 HB3 0.34 -0.02 0.13 -0.04 1.41 1.82 2zdsA1 LEU 310 H -0.04 0.41 -0.33 -0.55 8.37 7.87 2zdsA1 LEU 310 HA -0.25 -0.05 0.35 -0.75 4.35 3.64 2zdsA1 LEU 310 HB2 -0.38 0.11 0.16 -0.04 1.64 1.49 2zdsA1 LEU 310 HB3 -0.35 0.13 0.05 -0.04 1.64 1.42 2zdsA1 LEU 310 HG -1.45 -0.09 -0.09 -0.04 1.64 -0.03 2zdsA1 LEU 310 HD13 -0.61 0.04 -0.29 -0.04 0.93 0.03 2zdsA1 LEU 310 HD23 -0.65 -0.04 -0.04 -0.04 0.89 0.13 2zdsA1 THR 311 H -0.16 0.52 -0.04 -0.55 8.28 8.06 2zdsA1 THR 311 HA -0.20 0.03 0.45 -0.75 4.39 3.91 2zdsA1 THR 311 HB -0.09 0.11 0.19 -0.04 4.32 4.49 2zdsA1 THR 311 HG23 -0.09 -0.02 -0.12 -0.04 1.22 0.94 2zdsA1 ARG 312 H -0.10 0.60 -0.13 -0.55 8.46 8.28 2zdsA1 ARG 312 HA -0.13 0.03 0.45 -0.75 4.34 3.93 2zdsA1 ARG 312 HB2 -0.07 0.02 -0.04 -0.04 1.90 1.77 2zdsA1 ARG 312 HB3 -0.03 -0.11 -0.05 -0.04 1.80 1.57 2zdsA1 ARG 312 HG2 -0.02 0.26 0.04 -0.04 1.67 1.90 2zdsA1 ARG 312 HG3 0.02 0.11 -0.06 -0.04 1.67 1.69 2zdsA1 ARG 312 HD2 -0.06 -0.03 -0.01 -0.04 3.22 3.08 2zdsA1 ARG 312 HD3 -0.03 -0.03 -0.04 -0.04 3.22 3.08 2zdsA1 LEU 313 H -0.20 0.54 -0.19 -0.55 8.37 7.98 2zdsA1 LEU 313 HA -0.18 -0.05 0.37 -0.75 4.35 3.74 2zdsA1 LEU 313 HB2 -0.21 0.25 0.20 -0.04 1.64 1.83 2zdsA1 LEU 313 HB3 -0.03 0.01 -0.05 -0.04 1.64 1.53 2zdsA1 LEU 313 HG -0.01 -0.01 -0.03 -0.04 1.64 1.55 2zdsA1 LEU 313 HD13 -1.23 -0.05 -0.06 -0.04 0.93 -0.45 2zdsA1 LEU 313 HD23 -0.08 0.02 -0.06 -0.04 0.89 0.74 2zdsA1 LYS 314 H -0.37 0.54 -0.11 -0.55 8.42 7.93 2zdsA1 LYS 314 HA -0.24 -0.00 0.46 -0.75 4.32 3.78 2zdsA1 LYS 314 HB2 -0.29 0.12 0.11 -0.04 1.87 1.77 2zdsA1 LYS 314 HB3 -0.22 -0.01 0.06 -0.04 1.79 1.58 2zdsA1 LYS 314 HG2 -0.85 -0.07 0.03 -0.04 1.46 0.53 2zdsA1 LYS 314 HG3 -0.78 0.21 0.05 -0.04 1.46 0.91 2zdsA1 LYS 314 HD2 -0.30 -0.01 -0.07 -0.04 1.69 1.27 2zdsA1 LYS 314 HD3 -0.21 -0.02 0.01 -0.04 1.68 1.42 2zdsA1 LYS 314 HE2 -0.23 -0.01 -0.00 -0.04 2.99 2.71 2zdsA1 LYS 314 HE3 -0.51 -0.05 -0.05 -0.04 2.99 2.34 2zdsA1 ALA 315 H -0.29 0.33 -0.40 -0.55 8.40 7.49 2zdsA1 ALA 315 HA -0.20 0.07 0.59 -0.75 4.34 4.05 2zdsA1 ALA 315 HB3 -0.43 0.02 0.08 -0.04 1.41 1.04 2zdsA1 PHE 316 H -0.38 0.45 -0.45 -0.55 8.34 7.41 2zdsA1 PHE 316 HA -0.02 0.10 0.68 -0.75 4.62 4.62 2zdsA1 PHE 316 HB2 -1.28 0.15 0.02 -0.04 3.15 2.00 2zdsA1 PHE 316 HB3 -0.44 -0.04 0.02 -0.04 3.06 2.56 2zdsA1 PHE 316 HD2 -0.12 0.08 0.00 -0.04 7.28 7.20 2zdsA1 PHE 316 HE2 0.02 -0.02 -0.05 -0.04 7.38 7.28 2zdsA1 PHE 316 HZ 0.14 -0.01 -0.02 -0.04 7.32 7.39 2zdsA1 ASP 317 H -0.28 0.26 -0.23 -0.55 8.40 7.60 2zdsA1 ASP 317 HA -0.19 0.09 0.64 -0.75 4.63 4.42 2zdsA1 ASP 317 HB2 0.21 -0.04 0.04 -0.04 2.71 2.88 2zdsA1 ASP 317 HB3 0.01 0.12 0.27 -0.04 2.70 3.06 2zdsA1 PHE 318 H -0.67 0.25 0.05 -0.55 8.34 7.43 2zdsA1 PHE 318 HA 0.02 0.23 1.14 -0.75 4.62 5.26 2zdsA1 PHE 318 HB2 0.03 0.13 -0.13 -0.04 3.15 3.14 2zdsA1 PHE 318 HB3 0.00 -0.04 -0.00 -0.04 3.06 2.98 2zdsA1 PHE 318 HD2 0.01 0.06 -0.24 -0.04 7.28 7.08 2zdsA1 PHE 318 HE2 0.06 -0.00 0.01 -0.04 7.38 7.40 2zdsA1 PHE 318 HZ 0.17 -0.09 0.04 -0.04 7.32 7.39 2zdsA1 GLU 319 H 0.15 0.06 0.11 -0.55 8.60 8.37 2zdsA1 GLU 319 HA 0.08 0.09 0.43 -0.75 4.29 4.13 2zdsA1 GLU 319 HB2 0.07 -0.07 0.07 -0.04 2.09 2.13 2zdsA1 GLU 319 HB3 0.05 0.09 0.08 -0.04 1.99 2.18 2zdsA1 GLU 319 HG2 0.07 -0.04 0.10 -0.04 2.34 2.42 2zdsA1 GLU 319 HG3 0.04 -0.04 0.05 -0.04 2.34 2.35 2zdsA1 PRO 320 HA 0.09 0.08 0.56 -0.51 4.44 4.66 2zdsA1 PRO 320 HB2 0.04 0.07 -0.01 -0.04 2.28 2.34 2zdsA1 PRO 320 HB3 0.05 0.02 0.13 -0.04 2.02 2.18 2zdsA1 PRO 320 HG2 0.03 -0.01 0.07 -0.04 2.03 2.09 2zdsA1 PRO 320 HG3 0.03 0.04 0.07 -0.04 2.03 2.13 2zdsA1 PRO 320 HD2 0.05 0.03 0.23 -0.04 3.68 3.95 2zdsA1 PRO 320 HD3 0.05 0.18 0.15 -0.04 3.65 3.99 2zdsA1 PRO 321 HA 0.03 0.11 0.25 -0.51 4.44 4.33 2zdsA1 PRO 321 HB2 0.03 0.00 0.05 -0.04 2.28 2.32 2zdsA1 PRO 321 HB3 0.02 0.00 0.06 -0.04 2.02 2.07 2zdsA1 PRO 321 HG2 0.04 0.02 0.06 -0.04 2.03 2.11 2zdsA1 PRO 321 HG3 0.04 0.04 0.06 -0.04 2.03 2.13 2zdsA1 PRO 321 HD2 0.06 0.10 0.17 -0.04 3.68 3.96 2zdsA1 PRO 321 HD3 0.08 0.19 0.16 -0.04 3.65 4.04