============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 92 rings ring int. center anis. iso. HIS 2 0.900 69.156 186.195 114.404 -99.200 -91.000 TYR 8 0.840 72.766 188.960 126.219 -99.200 -91.000 PHE 18 1.000 88.627 175.335 127.132 -99.200 -91.000 PHE 43 1.000 122.815 168.282 132.228 -99.200 -91.000 PHE 46 1.000 132.263 170.499 128.908 -99.200 -91.000 TYR 54 0.840 148.880 166.285 114.013 -99.200 -91.000 TRP 66 1.040 143.687 160.996 128.043 -99.200 -91.000 TRP6 66 1.020 141.999 159.431 127.537 -99.200 -91.000 TYR 67 0.840 144.158 168.536 123.965 -99.200 -91.000 TRP 68 1.040 138.179 168.671 129.940 -99.200 -91.000 TRP6 68 1.020 136.598 167.496 131.244 -99.200 -91.000 TYR 80 0.840 118.675 186.747 116.810 -99.200 -91.000 TYR 85 0.840 122.776 175.293 121.404 -99.200 -91.000 PHE 86 1.000 125.211 179.663 124.630 -99.200 -91.000 TYR 90 0.840 116.910 180.271 132.242 -99.200 -91.000 TYR 100 0.840 114.015 163.434 145.322 -99.200 -91.000 PHE 132 1.000 144.170 151.052 137.687 -99.200 -91.000 PHE 144 1.000 142.333 161.552 144.319 -99.200 -91.000 TYR 161 0.840 128.311 157.275 147.283 -99.200 -91.000 HIS 166 0.900 134.522 171.206 132.331 -99.200 -91.000 TYR 170 0.840 131.650 171.178 142.380 -99.200 -91.000 PHE 172 1.000 124.743 173.674 133.989 -99.200 -91.000 TYR 175 0.840 121.363 177.019 142.974 -99.200 -91.000 PHE 176 1.000 120.602 171.145 138.394 -99.200 -91.000 HIS 179 0.900 117.130 176.675 145.521 -99.200 -91.000 PHE 191 1.000 96.462 168.617 164.600 -99.200 -91.000 TYR 193 0.840 98.703 171.456 152.762 -99.200 -91.000 TYR 204 0.840 83.563 169.907 159.743 -99.200 -91.000 TYR 218 0.840 106.367 170.381 153.008 -99.200 -91.000 HIS 231 0.900 93.240 191.403 141.496 -99.200 -91.000 PHE 234 1.000 95.362 192.355 132.255 -99.200 -91.000 TRP 238 1.040 89.470 189.141 137.772 -99.200 -91.000 TRP6 238 1.020 88.526 188.294 139.757 -99.200 -91.000 TYR 246 0.840 78.158 179.571 139.437 -99.200 -91.000 PHE 286 1.000 49.758 178.572 142.405 -99.200 -91.000 PHE 299 1.000 72.466 175.676 150.148 -99.200 -91.000 PHE 316 1.000 60.829 191.304 138.834 -99.200 -91.000 TYR 321 0.840 50.596 190.128 142.938 -99.200 -91.000 TRP 329 1.040 65.549 184.521 151.772 -99.200 -91.000 TRP6 329 1.020 67.013 184.962 153.546 -99.200 -91.000 PHE 339 1.000 72.083 189.928 143.977 -99.200 -91.000 TYR 357 0.840 57.381 204.348 148.659 -99.200 -91.000 PHE 360 1.000 53.790 201.976 155.966 -99.200 -91.000 HIS 366 0.900 51.571 203.253 142.536 -99.200 -91.000 TYR 367 0.840 61.189 205.584 144.441 -99.200 -91.000 PHE 376 1.000 65.209 198.065 148.963 -99.200 -91.000 PHE 386 1.000 62.166 204.788 164.792 -99.200 -91.000 TRP 391 1.040 64.002 194.524 155.745 -99.200 -91.000 TRP6 391 1.020 63.629 194.447 153.431 -99.200 -91.000 HIS 393 0.900 69.968 204.385 157.146 -99.200 -91.000 PHE 394 1.000 71.380 194.234 158.074 -99.200 -91.000 PHE 400 1.000 80.788 189.707 150.544 -99.200 -91.000 HIS 421 0.900 72.563 180.634 164.903 -99.200 -91.000 PHE 438 1.000 49.113 198.962 157.233 -99.200 -91.000 TYR 445 0.840 46.784 194.346 143.913 -99.200 -91.000 TYR 472 0.840 79.460 175.384 160.072 -99.200 -91.000 TYR 474 0.840 81.172 183.428 152.246 -99.200 -91.000 HIS 487 0.900 81.921 192.832 144.595 -99.200 -91.000 PHE 521 1.000 90.262 166.417 154.369 -99.200 -91.000 HIS 522 0.900 88.150 166.725 144.863 -99.200 -91.000 TYR 523 0.840 86.550 174.886 147.320 -99.200 -91.000 TYR 524 0.840 94.205 173.821 151.948 -99.200 -91.000 PHE 530 1.000 93.807 178.016 138.790 -99.200 -91.000 HIS 531 0.900 97.401 180.487 145.031 -99.200 -91.000 TYR 534 0.840 98.546 183.489 138.551 -99.200 -91.000 TYR 554 0.840 118.073 191.810 117.385 -99.200 -91.000 PHE 565 1.000 101.548 182.595 132.407 -99.200 -91.000 HIS 570 0.900 95.580 172.193 132.020 -99.200 -91.000 PHE 572 1.000 92.965 181.962 131.297 -99.200 -91.000 TYR 583 0.840 101.530 192.537 121.544 -99.200 -91.000 PHE 602 1.000 120.158 185.186 131.969 -99.200 -91.000 TYR 627 0.840 143.250 192.483 101.640 -99.200 -91.000 TYR 638 0.840 142.691 172.156 115.169 -99.200 -91.000 TYR 640 0.840 154.468 173.958 110.648 -99.200 -91.000 PHE 650 1.000 144.291 192.809 112.952 -99.200 -91.000 TYR 664 0.840 124.542 200.352 105.800 -99.200 -91.000 PHE 685 1.000 136.514 174.790 111.211 -99.200 -91.000 PHE 703 1.000 137.532 185.915 102.978 -99.200 -91.000 TYR 720 0.840 145.099 177.079 104.098 -99.200 -91.000 PHE 729 1.000 148.410 168.098 98.006 -99.200 -91.000 TYR 730 0.840 154.510 167.564 105.672 -99.200 -91.000 TYR 735 0.840 161.430 170.838 97.506 -99.200 -91.000 TRP 737 1.040 157.627 177.420 102.062 -99.200 -91.000 TRP6 737 1.020 155.939 175.782 102.045 -99.200 -91.000 TYR 746 0.840 138.398 185.368 118.709 -99.200 -91.000 PHE 753 1.000 141.387 165.268 132.573 -99.200 -91.000 PHE 755 1.000 142.437 162.526 138.609 -99.200 -91.000 HIS 760 0.900 134.984 169.993 141.187 -99.200 -91.000 PHE 768 1.000 115.925 163.532 151.355 -99.200 -91.000 TYR 771 0.840 106.038 159.876 152.683 -99.200 -91.000 PHE 777 1.000 100.745 160.615 155.324 -99.200 -91.000 PHE 791 1.000 79.285 183.799 163.525 -99.200 -91.000 ============================================================================= Atom RingCur El P_anis Const RC pred Obs ============================================================================= 3gzuB1 GLU 81 HA -0.03 -0.02 0.18 -0.75 4.29 3.67 3gzuB1 GLU 81 HB2 -0.03 0.02 -0.10 -0.04 2.09 1.94 3gzuB1 GLU 81 HB3 -0.06 0.02 0.07 -0.04 1.99 1.98 3gzuB1 GLU 81 HG2 -0.02 0.02 0.03 -0.04 2.34 2.34 3gzuB1 GLU 81 HG3 -0.00 -0.02 0.04 -0.04 2.34 2.32 3gzuB1 HIS 82 H 0.10 0.30 0.11 -0.55 8.41 8.38 3gzuB1 HIS 82 HA -0.02 0.07 0.44 -0.75 4.63 4.37 3gzuB1 HIS 82 HB2 -0.01 0.05 0.12 -0.04 3.26 3.38 3gzuB1 HIS 82 HB3 -0.01 0.01 0.15 -0.04 3.20 3.30 3gzuB1 HIS 82 HD2 -0.00 -0.01 -0.12 -0.04 6.97 6.80 3gzuB1 HIS 82 HE1 -0.00 0.03 -0.00 -0.04 7.75 7.73 3gzuB1 GLN 83 H 0.03 0.16 -0.11 -0.55 8.47 8.01 3gzuB1 GLN 83 HA -0.16 0.08 0.38 -0.75 4.36 3.91 3gzuB1 GLN 83 HB2 -0.01 0.01 0.00 -0.04 2.15 2.12 3gzuB1 GLN 83 HB3 -0.01 0.05 0.02 -0.04 2.02 2.05 3gzuB1 GLN 83 HG2 0.07 0.05 0.02 -0.04 2.40 2.50 3gzuB1 GLN 83 HG3 0.12 -0.11 0.07 -0.04 2.39 2.42 3gzuB1 GLN 83 HE21 0.03 0.05 0.02 -0.04 6.97 7.03 3gzuB1 GLN 83 HE22 0.05 -0.07 0.05 -0.04 7.69 7.68 3gzuB1 LYS 84 H -0.06 0.10 -0.40 -0.55 8.42 7.51 3gzuB1 LYS 84 HA -0.02 0.04 0.34 -0.75 4.32 3.92 3gzuB1 LYS 84 HB2 -0.10 -0.07 0.08 -0.04 1.87 1.74 3gzuB1 LYS 84 HB3 -0.17 0.27 0.10 -0.04 1.79 1.94 3gzuB1 LYS 84 HG2 -0.71 -0.00 -0.08 -0.04 1.46 0.63 3gzuB1 LYS 84 HG3 -0.16 -0.02 0.04 -0.04 1.46 1.28 3gzuB1 LYS 84 HD2 -0.32 0.03 -0.01 -0.04 1.69 1.35 3gzuB1 LYS 84 HD3 -0.40 -0.01 -0.01 -0.04 1.68 1.22 3gzuB1 LYS 84 HE2 -0.07 -0.01 0.01 -0.04 2.99 2.88 3gzuB1 LYS 84 HE3 -0.10 -0.01 0.03 -0.04 2.99 2.88 3gzuB1 GLU 85 H -0.12 0.29 -0.29 -0.55 8.60 7.93 3gzuB1 GLU 85 HA -0.06 0.02 0.31 -0.75 4.29 3.81 3gzuB1 GLU 85 HB2 -0.09 0.04 0.19 -0.04 2.09 2.19 3gzuB1 GLU 85 HB3 -0.13 -0.06 0.20 -0.04 1.99 1.96 3gzuB1 GLU 85 HG2 -0.01 -0.01 -0.00 -0.04 2.34 2.28 3gzuB1 GLU 85 HG3 -0.01 -0.00 -0.07 -0.04 2.34 2.21 3gzuB1 ILE 86 H -0.20 0.35 0.05 -0.55 8.25 7.89 3gzuB1 ILE 86 HA -0.05 0.01 0.32 -0.75 4.18 3.71 3gzuB1 ILE 86 HB -0.16 0.08 0.13 -0.04 1.89 1.90 3gzuB1 ILE 86 HG12 -0.05 -0.00 0.07 -0.04 1.49 1.47 3gzuB1 ILE 86 HG13 -0.20 0.01 0.09 -0.04 1.21 1.07 3gzuB1 ILE 86 HG23 -0.03 0.00 -0.15 -0.04 0.93 0.71 3gzuB1 ILE 86 HD13 -0.03 -0.00 0.01 -0.04 0.88 0.82 3gzuB1 GLN 87 H -0.01 0.31 -0.41 -0.55 8.47 7.82 3gzuB1 GLN 87 HA 0.01 0.02 0.63 -0.75 4.36 4.27 3gzuB1 GLN 87 HB2 0.07 0.12 0.15 -0.04 2.15 2.44 3gzuB1 GLN 87 HB3 0.04 -0.02 0.03 -0.04 2.02 2.03 3gzuB1 GLN 87 HG2 0.01 -0.01 0.02 -0.04 2.40 2.37 3gzuB1 GLN 87 HG3 -0.01 -0.07 -0.01 -0.04 2.39 2.26 3gzuB1 GLN 87 HE21 -0.00 -0.09 -0.04 -0.04 6.97 6.80 3gzuB1 GLN 87 HE22 -0.02 0.00 0.03 -0.04 7.69 7.66 3gzuB1 TYR 88 H 0.21 0.73 0.24 -0.55 8.29 8.92 3gzuB1 TYR 88 HA -0.02 -0.03 0.39 -0.75 4.56 4.14 3gzuB1 TYR 88 HB2 -0.03 0.23 0.20 -0.04 3.06 3.42 3gzuB1 TYR 88 HB3 -0.02 -0.05 -0.00 -0.04 2.98 2.86 3gzuB1 TYR 88 HD2 -0.02 0.02 0.05 -0.04 7.15 7.16 3gzuB1 TYR 88 HE2 -0.01 -0.04 -0.00 -0.04 6.85 6.76 3gzuB1 GLU 89 H 0.07 0.32 -0.94 -0.55 8.60 7.49 3gzuB1 GLU 89 HA 0.04 0.10 0.80 -0.75 4.29 4.46 3gzuB1 GLU 89 HB2 0.03 -0.04 -0.12 -0.04 2.09 1.92 3gzuB1 GLU 89 HB3 0.01 0.16 0.02 -0.04 1.99 2.14 3gzuB1 GLU 89 HG2 0.01 -0.02 -0.18 -0.04 2.34 2.11 3gzuB1 GLU 89 HG3 0.02 0.01 -0.03 -0.04 2.34 2.30 3gzuB1 ILE 90 H 0.01 0.54 0.29 -0.55 8.25 8.54 3gzuB1 ILE 90 HA -0.00 -0.01 0.37 -0.75 4.18 3.78 3gzuB1 ILE 90 HB -0.00 0.06 0.24 -0.04 1.89 2.15 3gzuB1 ILE 90 HG12 -0.00 -0.04 0.10 -0.04 1.49 1.50 3gzuB1 ILE 90 HG13 -0.00 0.26 0.15 -0.04 1.21 1.57 3gzuB1 ILE 90 HG23 -0.01 -0.02 -0.05 -0.04 0.93 0.81 3gzuB1 ILE 90 HD13 -0.00 -0.03 0.00 -0.04 0.88 0.81 3gzuB1 LEU 91 H -0.01 0.24 -0.90 -0.55 8.37 7.15 3gzuB1 LEU 91 HA -0.03 0.06 0.58 -0.75 4.35 4.22 3gzuB1 LEU 91 HB2 -0.06 -0.03 0.00 -0.04 1.64 1.51 3gzuB1 LEU 91 HB3 -0.07 0.15 -0.01 -0.04 1.64 1.68 3gzuB1 LEU 91 HG -0.05 0.01 -0.33 -0.04 1.64 1.23 3gzuB1 LEU 91 HD13 -0.04 -0.02 0.04 -0.04 0.93 0.87 3gzuB1 LEU 91 HD23 -0.14 0.00 -0.03 -0.04 0.89 0.68 3gzuB1 GLN 92 H -0.01 0.18 0.04 -0.55 8.47 8.14 3gzuB1 GLN 92 HA -0.00 0.01 0.39 -0.75 4.36 4.01 3gzuB1 GLN 92 HB2 0.02 0.08 0.30 -0.04 2.15 2.51 3gzuB1 GLN 92 HB3 0.01 -0.00 0.08 -0.04 2.02 2.07 3gzuB1 GLN 92 HG2 0.02 -0.06 0.06 -0.04 2.40 2.38 3gzuB1 GLN 92 HG3 0.02 0.08 0.16 -0.04 2.39 2.60 3gzuB1 GLN 92 HE21 0.02 -0.05 0.01 -0.04 6.97 6.91 3gzuB1 GLN 92 HE22 0.03 0.09 0.06 -0.04 7.69 7.83 3gzuB1 LYS 93 H -0.00 0.27 -0.80 -0.55 8.42 7.33 3gzuB1 LYS 93 HA -0.01 0.11 0.65 -0.75 4.32 4.33 3gzuB1 LYS 93 HB2 -0.01 0.16 -0.00 -0.04 1.87 1.98 3gzuB1 LYS 93 HB3 -0.01 -0.06 0.06 -0.04 1.79 1.74 3gzuB1 LYS 93 HG2 -0.01 -0.01 -0.01 -0.04 1.46 1.40 3gzuB1 LYS 93 HG3 -0.00 0.02 -0.13 -0.04 1.46 1.31 3gzuB1 LYS 93 HD2 -0.00 0.00 -0.02 -0.04 1.69 1.63 3gzuB1 LYS 93 HD3 -0.00 -0.03 -0.01 -0.04 1.68 1.60 3gzuB1 LYS 93 HE2 -0.00 -0.00 -0.03 -0.04 2.99 2.91 3gzuB1 LYS 93 HE3 -0.00 -0.01 -0.07 -0.04 2.99 2.86 3gzuB1 THR 94 H -0.01 0.77 -0.17 -0.55 8.28 8.32 3gzuB1 THR 94 HA -0.01 0.12 0.77 -0.75 4.39 4.52 3gzuB1 THR 94 HB -0.01 0.11 0.23 -0.04 4.32 4.60 3gzuB1 THR 94 HG23 -0.01 -0.06 0.21 -0.04 1.22 1.31 3gzuB1 ILE 95 H 0.00 0.25 -0.65 -0.55 8.25 7.30 3gzuB1 ILE 95 HA 0.02 0.15 0.90 -0.75 4.18 4.50 3gzuB1 ILE 95 HB 0.02 0.13 0.20 -0.04 1.89 2.20 3gzuB1 ILE 95 HG12 0.02 0.02 -0.12 -0.04 1.49 1.37 3gzuB1 ILE 95 HG13 0.00 0.03 -0.54 -0.04 1.21 0.66 3gzuB1 ILE 95 HG23 0.05 -0.03 -0.05 -0.04 0.93 0.85 3gzuB1 ILE 95 HD13 -0.00 -0.04 -0.11 -0.04 0.88 0.68 3gzuB1 PRO 96 HA 0.05 0.13 0.27 -0.51 4.44 4.38 3gzuB1 PRO 96 HB2 -0.03 0.00 -0.03 -0.04 2.28 2.18 3gzuB1 PRO 96 HB3 0.03 -0.06 -0.14 -0.04 2.02 1.80 3gzuB1 PRO 96 HG2 -0.15 -0.09 -0.18 -0.04 2.03 1.57 3gzuB1 PRO 96 HG3 -0.03 0.17 -0.55 -0.04 2.03 1.57 3gzuB1 PRO 96 HD2 -0.01 0.08 -0.14 -0.04 3.68 3.56 3gzuB1 PRO 96 HD3 -0.01 0.25 -0.20 -0.04 3.65 3.65 3gzuB1 THR 97 H 0.08 0.40 -1.02 -0.55 8.28 7.19 3gzuB1 THR 97 HA 0.19 0.09 0.65 -0.75 4.39 4.56 3gzuB1 THR 97 HB 0.07 0.02 0.09 -0.04 4.32 4.46 3gzuB1 THR 97 HG23 0.09 0.11 -0.05 -0.04 1.22 1.33 3gzuB1 PHE 98 H 0.37 0.20 0.23 -0.55 8.34 8.58 3gzuB1 PHE 98 HA 0.04 -0.02 0.39 -0.75 4.62 4.28 3gzuB1 PHE 98 HB2 0.01 0.08 0.10 -0.04 3.15 3.31 3gzuB1 PHE 98 HB3 0.01 -0.05 -0.12 -0.04 3.06 2.86 3gzuB1 PHE 98 HD2 0.04 -0.01 0.01 -0.04 7.28 7.27 3gzuB1 PHE 98 HE2 0.05 -0.01 -0.26 -0.04 7.38 7.12 3gzuB1 PHE 98 HZ 0.05 -0.01 -0.09 -0.04 7.32 7.22 3gzuB1 GLU 99 H -0.02 0.00 0.12 -0.55 8.60 8.16 3gzuB1 GLU 99 HA 0.04 0.15 0.37 -0.75 4.29 4.10 3gzuB1 GLU 99 HB2 -0.03 -0.01 0.15 -0.04 2.09 2.17 3gzuB1 GLU 99 HB3 0.02 -0.03 0.20 -0.04 1.99 2.15 3gzuB1 GLU 99 HG2 0.01 -0.06 0.01 -0.04 2.34 2.25 3gzuB1 GLU 99 HG3 0.02 -0.06 -0.14 -0.04 2.34 2.13 3gzuB1 PRO 100 HA 0.04 0.02 0.36 -0.51 4.44 4.35 3gzuB1 PRO 100 HB2 0.05 -0.14 -0.08 -0.04 2.28 2.07 3gzuB1 PRO 100 HB3 0.04 -0.02 0.09 -0.04 2.02 2.08 3gzuB1 PRO 100 HG2 0.05 0.05 0.05 -0.04 2.03 2.15 3gzuB1 PRO 100 HG3 0.04 0.04 0.07 -0.04 2.03 2.14 3gzuB1 PRO 100 HD2 0.12 0.12 0.06 -0.04 3.68 3.94 3gzuB1 PRO 100 HD3 0.05 0.08 0.19 -0.04 3.65 3.93 3gzuB1 LYS 101 H 0.04 0.04 0.14 -0.55 8.42 8.08 3gzuB1 LYS 101 HA 0.05 0.24 0.47 -0.75 4.32 4.32 3gzuB1 LYS 101 HB2 0.02 -0.34 0.27 -0.04 1.87 1.77 3gzuB1 LYS 101 HB3 0.02 0.09 0.08 -0.04 1.79 1.94 3gzuB1 LYS 101 HG2 0.05 0.10 0.08 -0.04 1.46 1.65 3gzuB1 LYS 101 HG3 0.04 -0.05 0.13 -0.04 1.46 1.54 3gzuB1 LYS 101 HD2 0.05 0.06 0.04 -0.04 1.69 1.79 3gzuB1 LYS 101 HD3 0.04 -0.01 0.04 -0.04 1.68 1.71 3gzuB1 LYS 101 HE2 0.02 -0.03 0.06 -0.04 2.99 3.00 3gzuB1 LYS 101 HE3 0.01 -0.06 0.08 -0.04 2.99 2.97 3gzuB1 GLU 102 H 0.01 0.10 0.08 -0.55 8.60 8.24 3gzuB1 GLU 102 HA -0.02 0.07 0.35 -0.75 4.29 3.94 3gzuB1 GLU 102 HB2 0.00 -0.04 0.03 -0.04 2.09 2.04 3gzuB1 GLU 102 HB3 -0.01 0.06 -0.02 -0.04 1.99 1.97 3gzuB1 GLU 102 HG2 -0.01 0.08 0.06 -0.04 2.34 2.42 3gzuB1 GLU 102 HG3 -0.00 -0.07 0.12 -0.04 2.34 2.35 3gzuB1 SER 103 H 0.02 0.02 -0.49 -0.55 8.46 7.47 3gzuB1 SER 103 HA -0.00 -0.01 0.25 -0.75 4.49 3.97 3gzuB1 SER 103 HB2 0.06 -0.11 -0.00 -0.04 3.95 3.86 3gzuB1 SER 103 HB3 0.10 0.22 -0.19 -0.04 3.93 4.01 3gzuB1 ILE 104 H -0.02 0.42 -0.78 -0.55 8.25 7.32 3gzuB1 ILE 104 HA -0.17 0.11 0.59 -0.75 4.18 3.96 3gzuB1 ILE 104 HB -0.05 -0.06 0.06 -0.04 1.89 1.81 3gzuB1 ILE 104 HG12 0.03 -0.07 -0.03 -0.04 1.49 1.38 3gzuB1 ILE 104 HG13 0.03 -0.02 -0.08 -0.04 1.21 1.11 3gzuB1 ILE 104 HG23 -0.11 0.00 0.02 -0.04 0.93 0.80 3gzuB1 ILE 104 HD13 0.05 0.00 0.05 -0.04 0.88 0.94 3gzuB1 LEU 105 H -0.06 0.19 0.07 -0.55 8.37 8.02 3gzuB1 LEU 105 HA -0.09 0.06 0.35 -0.75 4.35 3.91 3gzuB1 LEU 105 HB2 -0.06 -0.02 0.08 -0.04 1.64 1.61 3gzuB1 LEU 105 HB3 -0.05 0.02 0.20 -0.04 1.64 1.77 3gzuB1 LEU 105 HG -0.04 -0.00 -0.25 -0.04 1.64 1.32 3gzuB1 LEU 105 HD13 -0.03 0.01 -0.01 -0.04 0.93 0.86 3gzuB1 LEU 105 HD23 -0.04 -0.01 -0.01 -0.04 0.89 0.80 3gzuB1 LYS 106 H -0.06 0.21 -0.15 -0.55 8.42 7.87 3gzuB1 LYS 106 HA -0.06 0.00 0.27 -0.75 4.32 3.79 3gzuB1 LYS 106 HB2 -0.05 -0.06 0.02 -0.04 1.87 1.74 3gzuB1 LYS 106 HB3 -0.08 0.09 -0.03 -0.04 1.79 1.73 3gzuB1 LYS 106 HG2 -0.05 -0.03 -0.07 -0.04 1.46 1.27 3gzuB1 LYS 106 HG3 -0.08 0.06 -0.22 -0.04 1.46 1.18 3gzuB1 LYS 106 HD2 -0.04 0.00 -0.02 -0.04 1.69 1.60 3gzuB1 LYS 106 HD3 -0.03 -0.05 -0.03 -0.04 1.68 1.53 3gzuB1 LYS 106 HE2 -0.03 -0.03 -0.05 -0.04 2.99 2.84 3gzuB1 LYS 106 HE3 -0.04 0.05 -0.07 -0.04 2.99 2.89 3gzuB1 LYS 107 H -0.16 0.24 -0.36 -0.55 8.42 7.58 3gzuB1 LYS 107 HA -0.27 -0.04 0.29 -0.75 4.32 3.54 3gzuB1 LYS 107 HB2 -0.26 0.23 0.12 -0.04 1.87 1.92 3gzuB1 LYS 107 HB3 -0.31 -0.05 0.04 -0.04 1.79 1.43 3gzuB1 LYS 107 HG2 -0.25 0.14 0.17 -0.04 1.46 1.48 3gzuB1 LYS 107 HG3 -0.50 -0.01 0.04 -0.04 1.46 0.95 3gzuB1 LYS 107 HD2 -0.36 0.02 -0.02 -0.04 1.69 1.29 3gzuB1 LYS 107 HD3 -0.27 -0.06 0.01 -0.04 1.68 1.32 3gzuB1 LYS 107 HE2 -0.18 -0.01 0.01 -0.04 2.99 2.76 3gzuB1 LYS 107 HE3 -0.82 -0.00 -0.05 -0.04 2.99 2.09 3gzuB1 LEU 108 H -0.15 0.66 -0.33 -0.55 8.37 8.00 3gzuB1 LEU 108 HA -0.14 0.10 0.76 -0.75 4.35 4.31 3gzuB1 LEU 108 HB2 -0.13 0.15 0.28 -0.04 1.64 1.90 3gzuB1 LEU 108 HB3 -0.14 -0.03 0.04 -0.04 1.64 1.46 3gzuB1 LEU 108 HG -0.27 -0.06 0.02 -0.04 1.64 1.29 3gzuB1 LEU 108 HD13 -0.45 0.00 0.05 -0.04 0.93 0.49 3gzuB1 LEU 108 HD23 -0.24 0.03 -0.06 -0.04 0.89 0.58 3gzuB1 GLU 109 H -0.05 0.27 0.13 -0.55 8.60 8.40 3gzuB1 GLU 109 HA -0.01 0.04 0.36 -0.75 4.29 3.92 3gzuB1 GLU 109 HB2 0.00 -0.01 0.01 -0.04 2.09 2.06 3gzuB1 GLU 109 HB3 0.08 -0.03 0.07 -0.04 1.99 2.07 3gzuB1 GLU 109 HG2 0.17 0.04 0.05 -0.04 2.34 2.56 3gzuB1 GLU 109 HG3 0.02 0.00 -0.02 -0.04 2.34 2.30 3gzuB1 ASP 110 H -0.09 0.24 -0.99 -0.55 8.40 7.01 3gzuB1 ASP 110 HA -0.06 -0.02 0.44 -0.75 4.63 4.24 3gzuB1 ASP 110 HB2 -0.11 0.08 -0.07 -0.04 2.71 2.57 3gzuB1 ASP 110 HB3 -0.20 0.14 -0.07 -0.04 2.70 2.53 3gzuB1 ILE 111 H -0.09 0.44 0.05 -0.55 8.25 8.09 3gzuB1 ILE 111 HA -0.00 -0.07 0.45 -0.75 4.18 3.80 3gzuB1 ILE 111 HB 0.02 -0.01 0.27 -0.04 1.89 2.13 3gzuB1 ILE 111 HG12 0.07 -0.05 0.15 -0.04 1.49 1.62 3gzuB1 ILE 111 HG13 -0.11 0.33 0.50 -0.04 1.21 1.89 3gzuB1 ILE 111 HG23 0.09 -0.02 -0.03 -0.04 0.93 0.93 3gzuB1 ILE 111 HD13 0.11 -0.05 0.13 -0.04 0.88 1.02 3gzuB1 LYS 112 H 0.01 0.11 0.18 -0.55 8.42 8.17 3gzuB1 LYS 112 HA -0.01 0.09 0.77 -0.75 4.32 4.42 3gzuB1 LYS 112 HB2 -0.01 0.14 0.03 -0.04 1.87 1.99 3gzuB1 LYS 112 HB3 -0.00 -0.04 0.25 -0.04 1.79 1.96 3gzuB1 LYS 112 HG2 -0.00 0.04 0.04 -0.04 1.46 1.50 3gzuB1 LYS 112 HG3 -0.01 -0.04 0.05 -0.04 1.46 1.42 3gzuB1 LYS 112 HD2 -0.00 0.03 0.09 -0.04 1.69 1.77 3gzuB1 LYS 112 HD3 -0.00 -0.09 0.04 -0.04 1.68 1.59 3gzuB1 LYS 112 HE2 -0.01 -0.03 0.04 -0.04 2.99 2.95 3gzuB1 LYS 112 HE3 -0.01 0.10 0.07 -0.04 2.99 3.11 3gzuB1 PRO 113 HA -0.00 0.04 0.38 -0.51 4.44 4.36 3gzuB1 PRO 113 HB2 0.00 -0.09 0.14 -0.04 2.28 2.29 3gzuB1 PRO 113 HB3 -0.01 0.04 0.02 -0.04 2.02 2.04 3gzuB1 PRO 113 HG2 0.02 -0.06 -0.04 -0.04 2.03 1.90 3gzuB1 PRO 113 HG3 0.02 0.03 -0.05 -0.04 2.03 1.99 3gzuB1 PRO 113 HD2 0.00 0.06 0.10 -0.04 3.68 3.81 3gzuB1 PRO 113 HD3 0.01 0.21 -1.13 -0.04 3.65 2.69 3gzuB1 GLU 114 H 0.01 0.02 -0.00 -0.55 8.60 8.08 3gzuB1 GLU 114 HA 0.01 0.03 0.37 -0.75 4.29 3.95 3gzuB1 GLU 114 HB2 0.02 -0.03 -0.02 -0.04 2.09 2.02 3gzuB1 GLU 114 HB3 0.03 -0.02 0.08 -0.04 1.99 2.03 3gzuB1 GLU 114 HG2 0.02 0.06 0.13 -0.04 2.34 2.50 3gzuB1 GLU 114 HG3 0.01 0.01 0.09 -0.04 2.34 2.41 3gzuB1 GLN 115 H 0.01 0.18 0.10 -0.55 8.47 8.22 3gzuB1 GLN 115 HA -0.00 -0.06 0.54 -0.75 4.36 4.09 3gzuB1 GLN 115 HB2 -0.03 0.01 -0.02 -0.04 2.15 2.07 3gzuB1 GLN 115 HB3 -0.01 0.17 0.01 -0.04 2.02 2.15 3gzuB1 GLN 115 HG2 -0.02 0.01 -0.03 -0.04 2.40 2.32 3gzuB1 GLN 115 HG3 -0.03 -0.02 0.05 -0.04 2.39 2.35 3gzuB1 GLN 115 HE21 -0.03 -0.12 0.02 -0.04 6.97 6.80 3gzuB1 GLN 115 HE22 -0.02 0.16 0.03 -0.04 7.69 7.81 3gzuB1 ALA 116 H 0.01 0.00 0.06 -0.55 8.40 7.91 3gzuB1 ALA 116 HA 0.03 0.04 0.48 -0.75 4.34 4.14 3gzuB1 ALA 116 HB3 0.06 -0.06 0.11 -0.04 1.41 1.48 3gzuB1 LYS 117 HA -0.15 0.44 0.77 -0.75 4.32 4.63 3gzuB1 LYS 117 HB2 -0.14 -0.03 0.36 -0.04 1.87 2.02 3gzuB1 LYS 117 HB3 -0.17 -0.01 0.18 -0.04 1.79 1.75 3gzuB1 LYS 117 HG2 -0.07 0.09 -0.17 -0.04 1.46 1.27 3gzuB1 LYS 117 HG3 -0.08 0.06 0.07 -0.04 1.46 1.47 3gzuB1 LYS 117 HD2 -0.10 0.07 -0.05 -0.04 1.69 1.56 3gzuB1 LYS 117 HD3 -0.09 -0.02 0.11 -0.04 1.68 1.65 3gzuB1 LYS 117 HE2 -0.06 -0.05 -0.01 -0.04 2.99 2.84 3gzuB1 LYS 117 HE3 -0.07 0.05 -0.00 -0.04 2.99 2.93 3gzuB1 LYS 118 H -0.21 0.15 -0.05 -0.55 8.42 7.76 3gzuB1 LYS 118 HA -0.64 0.26 0.80 -0.75 4.32 3.99 3gzuB1 LYS 118 HB2 -0.29 -0.02 -0.12 -0.04 1.87 1.40 3gzuB1 LYS 118 HB3 -0.12 -0.03 -0.04 -0.04 1.79 1.56 3gzuB1 LYS 118 HG2 -0.06 0.04 0.11 -0.04 1.46 1.51 3gzuB1 LYS 118 HG3 -0.03 0.04 0.10 -0.04 1.46 1.52 3gzuB1 LYS 118 HD2 0.09 -0.02 -0.00 -0.04 1.69 1.71 3gzuB1 LYS 118 HD3 0.21 -0.02 -0.04 -0.04 1.68 1.78 3gzuB1 LYS 118 HE2 0.01 0.01 -0.06 -0.04 2.99 2.91 3gzuB1 LYS 118 HE3 0.00 0.01 -0.07 -0.04 2.99 2.89 3gzuB1 GLN 119 H -0.11 0.26 0.22 -0.55 8.47 8.30 3gzuB1 GLN 119 HA -0.07 0.04 0.54 -0.75 4.36 4.12 3gzuB1 GLN 119 HB2 -0.07 -0.11 0.08 -0.04 2.15 2.01 3gzuB1 GLN 119 HB3 -0.09 0.17 -0.24 -0.04 2.02 1.82 3gzuB1 GLN 119 HG2 -0.06 0.03 -0.04 -0.04 2.40 2.29 3gzuB1 GLN 119 HG3 -0.04 0.05 -0.42 -0.04 2.39 1.94 3gzuB1 GLN 119 HE21 -0.11 -0.06 -0.13 -0.04 6.97 6.63 3gzuB1 GLN 119 HE22 -0.05 -0.15 -0.18 -0.04 7.69 7.27 3gzuB1 THR 120 H -0.03 0.05 0.10 -0.55 8.28 7.86 3gzuB1 THR 120 HA -0.01 0.26 0.91 -0.75 4.39 4.79 3gzuB1 THR 120 HB 0.00 -0.24 0.27 -0.04 4.32 4.31 3gzuB1 THR 120 HG23 0.00 0.01 0.02 -0.04 1.22 1.21 3gzuB1 LYS 121 H 0.01 0.02 0.14 -0.55 8.42 8.05 3gzuB1 LYS 121 HA 0.03 -0.03 0.35 -0.75 4.32 3.91 3gzuB1 LYS 121 HB2 0.08 -0.18 0.11 -0.04 1.87 1.84 3gzuB1 LYS 121 HB3 0.05 0.01 0.16 -0.04 1.79 1.96 3gzuB1 LYS 121 HG2 0.04 -0.00 0.08 -0.04 1.46 1.53 3gzuB1 LYS 121 HG3 0.11 0.11 -0.13 -0.04 1.46 1.51 3gzuB1 LYS 121 HD2 0.15 -0.10 0.01 -0.04 1.69 1.70 3gzuB1 LYS 121 HD3 0.07 -0.01 0.03 -0.04 1.68 1.74 3gzuB1 LYS 121 HE2 0.05 0.04 0.01 -0.04 2.99 3.05 3gzuB1 LYS 121 HE3 0.18 0.07 -0.02 -0.04 2.99 3.17 3gzuB1 LEU 122 H 0.06 -0.06 0.17 -0.55 8.37 7.99 3gzuB1 LEU 122 HA 0.05 0.22 0.47 -0.75 4.35 4.33 3gzuB1 LEU 122 HB2 0.07 -0.19 0.07 -0.04 1.64 1.55 3gzuB1 LEU 122 HB3 0.08 0.10 -0.05 -0.04 1.64 1.72 3gzuB1 LEU 122 HG 0.04 -0.10 0.04 -0.04 1.64 1.58 3gzuB1 LEU 122 HD13 0.07 -0.04 -0.02 -0.04 0.93 0.90 3gzuB1 LEU 122 HD23 0.04 0.06 -0.07 -0.04 0.89 0.88 3gzuB1 PHE 123 H 0.12 -0.17 -0.15 -0.55 8.34 7.59 3gzuB1 PHE 123 HA 0.02 -0.09 0.29 -0.75 4.62 4.08 3gzuB1 PHE 123 HB2 -0.06 0.04 -0.30 -0.04 3.15 2.79 3gzuB1 PHE 123 HB3 -0.09 0.34 0.47 -0.04 3.06 3.74 3gzuB1 PHE 123 HD2 -0.00 -0.07 -0.02 -0.04 7.28 7.14 3gzuB1 PHE 123 HE2 0.18 -0.05 -0.04 -0.04 7.38 7.43 3gzuB1 PHE 123 HZ 0.09 -0.04 -0.04 -0.04 7.32 7.29 3gzuB1 ARG 124 H -0.36 0.13 0.02 -0.55 8.46 7.71 3gzuB1 ARG 124 HA -0.23 0.24 0.73 -0.75 4.34 4.33 3gzuB1 ARG 124 HB2 0.03 -0.08 0.02 -0.04 1.90 1.83 3gzuB1 ARG 124 HB3 0.09 0.06 0.10 -0.04 1.80 2.02 3gzuB1 ARG 124 HG2 0.02 0.14 -0.77 -0.04 1.67 1.02 3gzuB1 ARG 124 HG3 0.00 -0.08 -0.19 -0.04 1.67 1.37 3gzuB1 ARG 124 HD2 0.08 -0.03 -0.12 -0.04 3.22 3.11 3gzuB1 ARG 124 HD3 0.13 0.14 -0.05 -0.04 3.22 3.40 3gzuB1 ILE 125 H 0.15 -0.31 0.23 -0.55 8.25 7.77 3gzuB1 ILE 125 HA -0.22 0.22 0.75 -0.75 4.18 4.18 3gzuB1 ILE 125 HB -0.89 -0.05 -0.09 -0.04 1.89 0.82 3gzuB1 ILE 125 HG12 -0.29 0.13 -0.11 -0.04 1.49 1.18 3gzuB1 ILE 125 HG13 -0.38 -0.19 -1.04 -0.04 1.21 -0.43 3gzuB1 ILE 125 HG23 -0.51 0.01 -0.02 -0.04 0.93 0.37 3gzuB1 ILE 125 HD13 -0.35 -0.00 -0.16 -0.04 0.88 0.32 3gzuB1 PHE 126 H 0.59 -0.17 0.21 -0.55 8.34 8.42 3gzuB1 PHE 126 HA 0.03 0.00 0.85 -0.75 4.62 4.74 3gzuB1 PHE 126 HB2 0.19 0.15 -0.05 -0.04 3.15 3.40 3gzuB1 PHE 126 HB3 0.03 0.01 -0.24 -0.04 3.06 2.82 3gzuB1 PHE 126 HD2 -0.08 -0.13 -0.05 -0.04 7.28 6.98 3gzuB1 PHE 126 HE2 -0.32 0.01 -0.11 -0.04 7.38 6.91 3gzuB1 PHE 126 HZ -0.46 -0.05 -0.08 -0.04 7.32 6.69 3gzuB1 GLU 127 H 0.17 0.19 0.22 -0.55 8.60 8.64 3gzuB1 GLU 127 HA 0.04 0.15 0.70 -0.75 4.29 4.42 3gzuB1 GLU 127 HB2 -0.02 0.08 0.10 -0.04 2.09 2.21 3gzuB1 GLU 127 HB3 0.05 -0.08 0.03 -0.04 1.99 1.95 3gzuB1 GLU 127 HG2 0.08 -0.01 0.01 -0.04 2.34 2.37 3gzuB1 GLU 127 HG3 0.02 0.05 -0.33 -0.04 2.34 2.04 3gzuB1 PRO 128 HA -0.22 0.23 1.00 -0.51 4.44 4.95 3gzuB1 PRO 128 HB2 -0.61 0.02 -0.12 -0.04 2.28 1.54 3gzuB1 PRO 128 HB3 -1.56 -0.00 -0.14 -0.04 2.02 0.27 3gzuB1 PRO 128 HG2 -0.43 0.01 0.15 -0.04 2.03 1.71 3gzuB1 PRO 128 HG3 -0.93 0.02 0.00 -0.04 2.03 1.08 3gzuB1 PRO 128 HD2 -0.23 0.05 0.22 -0.04 3.68 3.68 3gzuB1 PRO 128 HD3 -0.46 0.20 0.08 -0.04 3.65 3.43 3gzuB1 ARG 129 H 0.03 0.33 0.19 -0.55 8.46 8.46 3gzuB1 ARG 129 HA 0.10 0.13 0.93 -0.75 4.34 4.75 3gzuB1 ARG 129 HB2 0.01 0.04 -0.00 -0.04 1.90 1.91 3gzuB1 ARG 129 HB3 -0.03 0.03 0.09 -0.04 1.80 1.85 3gzuB1 ARG 129 HG2 0.02 -0.01 -0.11 -0.04 1.67 1.53 3gzuB1 ARG 129 HG3 0.03 -0.06 -0.28 -0.04 1.67 1.32 3gzuB1 ARG 129 HD2 0.03 0.03 -0.08 -0.04 3.22 3.16 3gzuB1 ARG 129 HD3 0.00 -0.00 -0.04 -0.04 3.22 3.14 3gzuB1 GLN 130 H -0.21 0.05 0.14 -0.55 8.47 7.91 3gzuB1 GLN 130 HA -0.73 0.17 0.48 -0.75 4.36 3.53 3gzuB1 GLN 130 HB2 -0.36 -0.06 0.02 -0.04 2.15 1.72 3gzuB1 GLN 130 HB3 -0.54 0.02 0.01 -0.04 2.02 1.46 3gzuB1 GLN 130 HG2 -2.40 0.06 -0.03 -0.04 2.40 -0.01 3gzuB1 GLN 130 HG3 -0.73 -0.04 0.03 -0.04 2.39 1.61 3gzuB1 GLN 130 HE21 -0.11 -0.01 -0.02 -0.04 6.97 6.79 3gzuB1 GLN 130 HE22 -0.13 -0.02 -0.01 -0.04 7.69 7.49 3gzuB1 LEU 131 H -0.32 0.34 0.07 -0.55 8.37 7.92 3gzuB1 LEU 131 HA -0.20 0.08 0.56 -0.75 4.35 4.04 3gzuB1 LEU 131 HB2 -0.25 0.01 -0.12 -0.04 1.64 1.24 3gzuB1 LEU 131 HB3 -0.27 0.08 -0.04 -0.04 1.64 1.36 3gzuB1 LEU 131 HG -0.10 0.07 -0.71 -0.04 1.64 0.87 3gzuB1 LEU 131 HD13 -0.13 -0.02 -0.13 -0.04 0.93 0.61 3gzuB1 LEU 131 HD23 -0.11 -0.01 0.11 -0.04 0.89 0.83 3gzuB1 PRO 132 HA -0.26 0.08 0.58 -0.51 4.44 4.33 3gzuB1 PRO 132 HB2 -0.43 -0.03 -0.02 -0.04 2.28 1.77 3gzuB1 PRO 132 HB3 -0.21 0.00 0.08 -0.04 2.02 1.85 3gzuB1 PRO 132 HG2 -0.31 0.09 0.11 -0.04 2.03 1.88 3gzuB1 PRO 132 HG3 -0.17 0.00 0.06 -0.04 2.03 1.89 3gzuB1 PRO 132 HD2 -0.20 0.14 0.21 -0.04 3.68 3.78 3gzuB1 PRO 132 HD3 -0.18 0.11 0.13 -0.04 3.65 3.67 3gzuB1 ILE 133 H -0.29 0.23 0.24 -0.55 8.25 7.88 3gzuB1 ILE 133 HA -0.37 0.32 0.95 -0.75 4.18 4.32 3gzuB1 ILE 133 HB -0.09 -0.08 0.05 -0.04 1.89 1.73 3gzuB1 ILE 133 HG12 -0.14 0.08 -0.15 -0.04 1.49 1.25 3gzuB1 ILE 133 HG13 -0.15 0.14 -0.39 -0.04 1.21 0.77 3gzuB1 ILE 133 HG23 0.01 0.00 -0.31 -0.04 0.93 0.59 3gzuB1 ILE 133 HD13 0.21 -0.05 -0.12 -0.04 0.88 0.87 3gzuB1 TYR 134 H -0.04 0.48 0.16 -0.55 8.29 8.34 3gzuB1 TYR 134 HA -0.00 0.11 1.16 -0.75 4.56 5.06 3gzuB1 TYR 134 HB2 0.02 0.07 -0.03 -0.04 3.06 3.07 3gzuB1 TYR 134 HB3 -0.02 0.17 -0.41 -0.04 2.98 2.68 3gzuB1 TYR 134 HD2 -0.02 -0.02 -0.24 -0.04 7.15 6.83 3gzuB1 TYR 134 HE2 -0.07 0.05 -0.22 -0.04 6.85 6.57 3gzuB1 ARG 135 H 0.09 0.10 0.12 -0.55 8.46 8.23 3gzuB1 ARG 135 HA 0.09 -0.00 0.38 -0.75 4.34 4.05 3gzuB1 ARG 135 HB2 0.06 -0.00 0.14 -0.04 1.90 2.05 3gzuB1 ARG 135 HB3 0.06 -0.00 0.16 -0.04 1.80 1.98 3gzuB1 ARG 135 HG2 0.08 0.23 -0.50 -0.04 1.67 1.43 3gzuB1 ARG 135 HG3 0.05 -0.01 -0.00 -0.04 1.67 1.67 3gzuB1 ARG 135 HD2 0.06 -0.16 -0.06 -0.04 3.22 3.02 3gzuB1 ARG 135 HD3 0.05 0.08 -0.08 -0.04 3.22 3.23 3gzuB1 ALA 136 H 0.08 0.08 0.14 -0.55 8.40 8.15 3gzuB1 ALA 136 HA 0.14 0.04 0.35 -0.75 4.34 4.11 3gzuB1 ALA 136 HB3 0.07 0.02 0.10 -0.04 1.41 1.56 3gzuB1 ASN 137 H 0.39 0.13 0.16 -0.55 8.53 8.65 3gzuB1 ASN 137 HA 0.01 -0.01 0.35 -0.75 4.76 4.35 3gzuB1 ASN 137 HB2 0.13 -0.02 0.05 -0.04 2.88 3.00 3gzuB1 ASN 137 HB3 0.13 0.10 -0.44 -0.04 2.79 2.55 3gzuB1 ASN 137 HD21 0.04 -0.01 0.07 -0.04 7.03 7.09 3gzuB1 ASN 137 HD22 0.01 -0.00 0.08 -0.04 7.74 7.79 3gzuB1 GLY 138 H 0.11 0.89 -0.58 -0.55 8.43 8.31 3gzuB1 GLY 138 HA2 0.04 0.08 0.55 -0.51 4.01 4.16 3gzuB1 GLY 138 HA3 0.08 -0.08 0.16 -0.51 4.01 3.66 3gzuB1 GLU 139 H 0.03 0.08 0.08 -0.55 8.60 8.25 3gzuB1 GLU 139 HA 0.02 0.11 0.40 -0.75 4.29 4.07 3gzuB1 GLU 139 HB2 0.01 0.06 -0.04 -0.04 2.09 2.09 3gzuB1 GLU 139 HB3 -0.01 -0.05 0.14 -0.04 1.99 2.03 3gzuB1 GLU 139 HG2 -0.03 0.00 0.06 -0.04 2.34 2.33 3gzuB1 GLU 139 HG3 -0.06 0.14 0.05 -0.04 2.34 2.43 3gzuB1 LYS 140 H 0.06 0.14 0.06 -0.55 8.42 8.13 3gzuB1 LYS 140 HA -0.07 0.11 0.36 -0.75 4.32 3.96 3gzuB1 LYS 140 HB2 -0.02 0.02 0.21 -0.04 1.87 2.03 3gzuB1 LYS 140 HB3 -0.08 0.05 0.09 -0.04 1.79 1.80 3gzuB1 LYS 140 HG2 0.06 -0.07 0.08 -0.04 1.46 1.49 3gzuB1 LYS 140 HG3 -0.01 0.04 0.05 -0.04 1.46 1.50 3gzuB1 LYS 140 HD2 -0.09 0.04 0.01 -0.04 1.69 1.61 3gzuB1 LYS 140 HD3 -0.06 0.02 -0.06 -0.04 1.68 1.54 3gzuB1 LYS 140 HE2 0.10 -0.11 -0.01 -0.04 2.99 2.92 3gzuB1 LYS 140 HE3 0.01 0.03 0.00 -0.04 2.99 2.99 3gzuB1 GLU 141 H -0.03 0.61 0.48 -0.55 8.60 9.12 3gzuB1 GLU 141 HA 0.01 0.02 0.34 -0.75 4.29 3.90 3gzuB1 GLU 141 HB2 0.01 -0.06 0.29 -0.04 2.09 2.29 3gzuB1 GLU 141 HB3 -0.02 -0.01 0.16 -0.04 1.99 2.08 3gzuB1 GLU 141 HG2 0.00 0.01 0.22 -0.04 2.34 2.53 3gzuB1 GLU 141 HG3 0.02 -0.01 0.14 -0.04 2.34 2.45 3gzuB1 LEU 142 H -0.05 -0.06 -1.13 -0.55 8.37 6.58 3gzuB1 LEU 142 HA -0.05 -0.01 0.26 -0.75 4.35 3.80 3gzuB1 LEU 142 HB2 -0.02 0.28 0.48 -0.04 1.64 2.34 3gzuB1 LEU 142 HB3 -0.03 -0.07 0.10 -0.04 1.64 1.61 3gzuB1 LEU 142 HG -0.01 0.07 -0.40 -0.04 1.64 1.25 3gzuB1 LEU 142 HD13 -0.01 -0.01 -0.02 -0.04 0.93 0.85 3gzuB1 LEU 142 HD23 -0.02 -0.03 0.02 -0.04 0.89 0.82 3gzuB1 ARG 143 H -0.04 0.05 -0.83 -0.55 8.46 7.08 3gzuB1 ARG 143 HA -0.05 0.12 0.53 -0.75 4.34 4.19 3gzuB1 ARG 143 HB2 -0.01 0.05 0.03 -0.04 1.90 1.93 3gzuB1 ARG 143 HB3 -0.02 -0.02 0.02 -0.04 1.80 1.74 3gzuB1 ARG 143 HG2 -0.03 -0.09 -0.26 -0.04 1.67 1.25 3gzuB1 ARG 143 HG3 -0.01 -0.02 -0.02 -0.04 1.67 1.58 3gzuB1 ARG 143 HD2 0.02 0.00 -0.02 -0.04 3.22 3.18 3gzuB1 ARG 143 HD3 0.04 -0.03 -0.03 -0.04 3.22 3.16 3gzuB1 ASN 144 H -0.10 0.16 -0.01 -0.55 8.53 8.03 3gzuB1 ASN 144 HA -0.18 0.26 0.78 -0.75 4.76 4.88 3gzuB1 ASN 144 HB2 -0.28 -0.03 0.07 -0.04 2.88 2.60 3gzuB1 ASN 144 HB3 -0.37 -0.08 0.06 -0.04 2.79 2.36 3gzuB1 ASN 144 HD21 -0.13 -0.02 -0.16 -0.04 7.03 6.67 3gzuB1 ASN 144 HD22 -0.15 -0.01 -0.13 -0.04 7.74 7.40 3gzuB1 ARG 145 H -0.03 0.09 -0.02 -0.55 8.46 7.94 3gzuB1 ARG 145 HA 0.08 0.01 0.42 -0.75 4.34 4.09 3gzuB1 ARG 145 HB2 0.23 -0.02 0.04 -0.04 1.90 2.12 3gzuB1 ARG 145 HB3 0.39 0.09 -0.15 -0.04 1.80 2.09 3gzuB1 ARG 145 HG2 0.12 0.02 0.08 -0.04 1.67 1.86 3gzuB1 ARG 145 HG3 0.10 -0.04 0.04 -0.04 1.67 1.73 3gzuB1 ARG 145 HD2 0.15 -0.02 -0.03 -0.04 3.22 3.27 3gzuB1 ARG 145 HD3 0.13 0.02 -0.03 -0.04 3.22 3.30 3gzuB1 TRP 146 H 0.44 0.07 0.19 -0.55 7.97 8.12 3gzuB1 TRP 146 HA 0.06 0.28 0.75 -0.75 4.62 4.96 3gzuB1 TRP 146 HB2 0.08 -0.09 0.11 -0.04 3.23 3.29 3gzuB1 TRP 146 HB3 -0.23 0.07 -0.11 -0.04 3.23 2.92 3gzuB1 TRP 146 HD1 0.04 -0.08 0.09 -0.04 7.22 7.23 3gzuB1 TRP 146 HE1 -0.02 -0.02 -0.00 -0.04 10.20 10.12 3gzuB1 TRP 146 HE3 -0.21 0.09 -0.42 -0.04 7.59 7.01 3gzuB1 TRP 146 HZ2 -0.04 -0.00 -0.07 -0.04 7.44 7.29 3gzuB1 TRP 146 HZ3 -0.12 0.05 -0.04 -0.04 7.13 6.97 3gzuB1 TRP 146 HH2 -0.07 -0.01 -0.07 -0.04 7.19 7.00 3gzuB1 TYR 147 H 0.28 0.55 0.22 -0.55 8.29 8.78 3gzuB1 TYR 147 HA 0.17 0.14 0.86 -0.75 4.56 4.97 3gzuB1 TYR 147 HB2 0.06 0.02 -0.08 -0.04 3.06 3.01 3gzuB1 TYR 147 HB3 0.14 0.12 -0.05 -0.04 2.98 3.15 3gzuB1 TYR 147 HD2 0.09 0.05 -0.61 -0.04 7.15 6.64 3gzuB1 TYR 147 HE2 0.06 -0.06 -0.22 -0.04 6.85 6.59 3gzuB1 TRP 148 H 0.47 0.46 0.14 -0.55 7.97 8.50 3gzuB1 TRP 148 HA 0.04 0.10 0.70 -0.75 4.62 4.71 3gzuB1 TRP 148 HB2 0.05 -0.01 0.12 -0.04 3.23 3.35 3gzuB1 TRP 148 HB3 -0.19 0.00 -0.06 -0.04 3.23 2.94 3gzuB1 TRP 148 HD1 0.13 0.28 -0.25 -0.04 7.22 7.34 3gzuB1 TRP 148 HE1 0.47 -0.17 0.02 -0.04 10.20 10.48 3gzuB1 TRP 148 HE3 -0.55 0.05 -0.24 -0.04 7.59 6.81 3gzuB1 TRP 148 HZ2 0.39 -0.06 -0.08 -0.04 7.44 7.65 3gzuB1 TRP 148 HZ3 -0.22 0.20 0.08 -0.04 7.13 7.15 3gzuB1 TRP 148 HH2 0.03 0.23 0.03 -0.04 7.19 7.44 3gzuB1 LYS 149 H 0.27 0.55 0.32 -0.55 8.42 9.00 3gzuB1 LYS 149 HA 0.24 0.21 0.74 -0.75 4.32 4.75 3gzuB1 LYS 149 HB2 0.11 -0.06 -0.04 -0.04 1.87 1.84 3gzuB1 LYS 149 HB3 0.10 -0.00 -0.04 -0.04 1.79 1.81 3gzuB1 LYS 149 HG2 0.16 0.05 -0.49 -0.04 1.46 1.13 3gzuB1 LYS 149 HG3 0.07 -0.04 -0.11 -0.04 1.46 1.35 3gzuB1 LYS 149 HD2 0.09 -0.10 0.06 -0.04 1.69 1.69 3gzuB1 LYS 149 HD3 0.15 0.15 0.20 -0.04 1.68 2.14 3gzuB1 LYS 149 HE2 0.13 0.00 -0.03 -0.04 2.99 3.05 3gzuB1 LYS 149 HE3 0.07 -0.08 -0.04 -0.04 2.99 2.90 3gzuB1 LEU 150 H 0.11 0.17 0.09 -0.55 8.37 8.19 3gzuB1 LEU 150 HA 0.08 0.16 0.65 -0.75 4.35 4.48 3gzuB1 LEU 150 HB2 -0.01 -0.12 0.02 -0.04 1.64 1.49 3gzuB1 LEU 150 HB3 -0.08 0.17 -0.14 -0.04 1.64 1.54 3gzuB1 LEU 150 HG 0.06 -0.01 -0.08 -0.04 1.64 1.57 3gzuB1 LEU 150 HD13 -0.04 -0.01 -0.17 -0.04 0.93 0.67 3gzuB1 LEU 150 HD23 -0.34 0.01 -0.17 -0.04 0.89 0.35 3gzuB1 LYS 151 H 0.04 0.59 0.43 -0.55 8.42 8.93 3gzuB1 LYS 151 HA 0.03 0.00 0.56 -0.75 4.32 4.16 3gzuB1 LYS 151 HB2 0.01 0.09 0.05 -0.04 1.87 1.98 3gzuB1 LYS 151 HB3 0.02 -0.02 -0.01 -0.04 1.79 1.74 3gzuB1 LYS 151 HG2 0.05 0.01 -0.00 -0.04 1.46 1.47 3gzuB1 LYS 151 HG3 0.08 -0.10 0.01 -0.04 1.46 1.41 3gzuB1 LYS 151 HD2 0.03 -0.03 -0.20 -0.04 1.69 1.46 3gzuB1 LYS 151 HD3 0.03 0.03 -0.07 -0.04 1.68 1.63 3gzuB1 LYS 151 HE2 0.04 0.03 -0.05 -0.04 2.99 2.97 3gzuB1 LYS 151 HE3 0.06 -0.04 -0.12 -0.04 2.99 2.85 3gzuB1 LYS 152 H 0.01 0.07 0.12 -0.55 8.42 8.07 3gzuB1 LYS 152 HA 0.01 -0.02 0.31 -0.75 4.32 3.86 3gzuB1 LYS 152 HB2 0.01 0.30 0.08 -0.04 1.87 2.22 3gzuB1 LYS 152 HB3 0.03 -0.02 0.15 -0.04 1.79 1.91 3gzuB1 LYS 152 HG2 0.02 -0.01 -0.02 -0.04 1.46 1.42 3gzuB1 LYS 152 HG3 0.02 -0.09 -0.21 -0.04 1.46 1.14 3gzuB1 LYS 152 HD2 0.04 0.05 -0.06 -0.04 1.69 1.68 3gzuB1 LYS 152 HD3 0.04 0.01 -0.01 -0.04 1.68 1.68 3gzuB1 LYS 152 HE2 0.03 -0.01 -0.03 -0.04 2.99 2.94 3gzuB1 LYS 152 HE3 0.04 -0.04 -0.05 -0.04 2.99 2.90 3gzuB1 ASP 153 H -0.01 0.10 -0.05 -0.55 8.40 7.89 3gzuB1 ASP 153 HA -0.05 0.22 0.72 -0.75 4.63 4.76 3gzuB1 ASP 153 HB2 -0.04 0.03 0.07 -0.04 2.71 2.73 3gzuB1 ASP 153 HB3 -0.02 0.10 0.04 -0.04 2.70 2.78 3gzuB1 THR 154 H -0.10 0.39 -0.04 -0.55 8.28 7.98 3gzuB1 THR 154 HA -0.10 0.16 0.88 -0.75 4.39 4.57 3gzuB1 THR 154 HB -0.08 -0.01 0.01 -0.04 4.32 4.19 3gzuB1 THR 154 HG23 -0.02 -0.01 -0.22 -0.04 1.22 0.93 3gzuB1 LEU 155 H -0.16 0.25 -0.04 -0.55 8.37 7.87 3gzuB1 LEU 155 HA -0.49 0.21 0.96 -0.75 4.35 4.28 3gzuB1 LEU 155 HB2 -0.11 0.09 0.07 -0.04 1.64 1.64 3gzuB1 LEU 155 HB3 -0.12 -0.00 -0.00 -0.04 1.64 1.48 3gzuB1 LEU 155 HG -0.16 -0.09 -0.19 -0.04 1.64 1.16 3gzuB1 LEU 155 HD13 -0.03 0.02 -0.04 -0.04 0.93 0.85 3gzuB1 LEU 155 HD23 -0.46 0.03 -0.37 -0.04 0.89 0.06 3gzuB1 PRO 156 HA -0.04 0.08 0.35 -0.51 4.44 4.32 3gzuB1 PRO 156 HB2 0.00 -0.09 -0.21 -0.04 2.28 1.95 3gzuB1 PRO 156 HB3 0.00 0.01 0.05 -0.04 2.02 2.04 3gzuB1 PRO 156 HG2 0.01 0.13 -0.04 -0.04 2.03 2.10 3gzuB1 PRO 156 HG3 -0.06 0.06 -0.03 -0.04 2.03 1.96 3gzuB1 PRO 156 HD2 -0.08 0.04 0.00 -0.04 3.68 3.60 3gzuB1 PRO 156 HD3 -0.40 0.30 0.25 -0.04 3.65 3.75 3gzuB1 ASP 157 H 0.01 0.15 0.08 -0.55 8.40 8.09 3gzuB1 ASP 157 HA 0.01 0.16 0.72 -0.75 4.63 4.77 3gzuB1 ASP 157 HB2 0.02 0.01 0.03 -0.04 2.71 2.73 3gzuB1 ASP 157 HB3 0.01 0.03 -0.04 -0.04 2.70 2.67 3gzuB1 GLY 158 H 0.03 0.12 -0.12 -0.55 8.43 7.91 3gzuB1 GLY 158 HA2 0.04 0.07 0.46 -0.51 4.01 4.07 3gzuB1 GLY 158 HA3 0.06 0.22 0.88 -0.51 4.01 4.66 3gzuB1 ASP 159 H 0.05 0.14 0.28 -0.55 8.40 8.32 3gzuB1 ASP 159 HA 0.03 0.09 0.37 -0.75 4.63 4.36 3gzuB1 ASP 159 HB2 0.06 -0.08 0.22 -0.04 2.71 2.87 3gzuB1 ASP 159 HB3 0.04 0.15 0.01 -0.04 2.70 2.86 3gzuB1 TYR 160 H 0.18 0.02 -0.27 -0.55 8.29 7.66 3gzuB1 TYR 160 HA -0.06 0.12 0.36 -0.75 4.56 4.23 3gzuB1 TYR 160 HB2 0.01 -0.03 0.09 -0.04 3.06 3.09 3gzuB1 TYR 160 HB3 0.01 -0.02 0.05 -0.04 2.98 2.98 3gzuB1 TYR 160 HD2 -0.12 -0.01 -0.05 -0.04 7.15 6.92 3gzuB1 TYR 160 HE2 -0.33 0.10 0.01 -0.04 6.85 6.59 3gzuB1 ASP 161 H 0.10 0.16 -0.13 -0.55 8.40 7.99 3gzuB1 ASP 161 HA -0.07 0.03 0.36 -0.75 4.63 4.19 3gzuB1 ASP 161 HB2 0.04 0.09 -0.20 -0.04 2.71 2.60 3gzuB1 ASP 161 HB3 0.02 -0.02 -0.06 -0.04 2.70 2.61 3gzuB1 VAL 162 H 0.02 0.35 -0.49 -0.55 8.24 7.57 3gzuB1 VAL 162 HA 0.18 0.04 0.34 -0.75 4.13 3.94 3gzuB1 VAL 162 HB -0.00 0.17 0.14 -0.04 2.12 2.39 3gzuB1 VAL 162 HG13 0.16 -0.01 -0.10 -0.04 0.97 0.99 3gzuB1 VAL 162 HG23 0.05 0.05 -0.18 -0.04 0.95 0.83 3gzuB1 ARG 163 H -0.09 0.46 0.02 -0.55 8.46 8.30 3gzuB1 ARG 163 HA -0.19 -0.03 0.36 -0.75 4.34 3.74 3gzuB1 ARG 163 HB2 -0.24 0.08 0.16 -0.04 1.90 1.86 3gzuB1 ARG 163 HB3 -0.17 0.13 0.02 -0.04 1.80 1.73 3gzuB1 ARG 163 HG2 -0.19 -0.06 0.02 -0.04 1.67 1.40 3gzuB1 ARG 163 HG3 -0.11 -0.03 0.01 -0.04 1.67 1.50 3gzuB1 ARG 163 HD2 -0.10 0.05 -0.19 -0.04 3.22 2.94 3gzuB1 ARG 163 HD3 -0.08 -0.04 -0.08 -0.04 3.22 2.98 3gzuB1 GLU 164 H -0.22 0.43 -0.25 -0.55 8.60 8.01 3gzuB1 GLU 164 HA -0.10 0.02 0.40 -0.75 4.29 3.86 3gzuB1 GLU 164 HB2 -0.34 -0.00 0.08 -0.04 2.09 1.79 3gzuB1 GLU 164 HB3 -0.09 0.10 0.14 -0.04 1.99 2.10 3gzuB1 GLU 164 HG2 -0.00 0.01 -0.13 -0.04 2.34 2.17 3gzuB1 GLU 164 HG3 -0.06 -0.02 0.04 -0.04 2.34 2.26 3gzuB1 TYR 165 H 0.18 0.56 -0.06 -0.55 8.29 8.42 3gzuB1 TYR 165 HA 0.02 -0.04 0.38 -0.75 4.56 4.18 3gzuB1 TYR 165 HB2 0.04 -0.00 0.19 -0.04 3.06 3.25 3gzuB1 TYR 165 HB3 0.19 0.22 0.28 -0.04 2.98 3.62 3gzuB1 TYR 165 HD2 -0.07 -0.04 0.03 -0.04 7.15 7.02 3gzuB1 TYR 165 HE2 -0.18 -0.04 -0.02 -0.04 6.85 6.58 3gzuB1 PHE 166 H 0.56 0.50 -0.09 -0.55 8.34 8.76 3gzuB1 PHE 166 HA -0.30 0.01 0.41 -0.75 4.62 3.98 3gzuB1 PHE 166 HB2 -0.02 0.17 0.12 -0.04 3.15 3.39 3gzuB1 PHE 166 HB3 -0.01 -0.05 -0.06 -0.04 3.06 2.91 3gzuB1 PHE 166 HD2 0.09 0.16 0.03 -0.04 7.28 7.51 3gzuB1 PHE 166 HE2 0.08 -0.04 0.02 -0.04 7.38 7.41 3gzuB1 PHE 166 HZ 0.05 0.02 0.04 -0.04 7.32 7.39 3gzuB1 LEU 167 H 0.10 0.47 -0.22 -0.55 8.37 8.17 3gzuB1 LEU 167 HA 0.05 -0.03 0.40 -0.75 4.35 4.01 3gzuB1 LEU 167 HB2 -0.02 0.05 0.16 -0.04 1.64 1.79 3gzuB1 LEU 167 HB3 -0.00 0.37 0.23 -0.04 1.64 2.19 3gzuB1 LEU 167 HG 0.00 -0.05 -0.17 -0.04 1.64 1.38 3gzuB1 LEU 167 HD13 -0.08 -0.01 0.00 -0.04 0.93 0.80 3gzuB1 LEU 167 HD23 -0.04 -0.01 -0.02 -0.04 0.89 0.78 3gzuB1 ASN 168 H -0.04 0.50 -0.26 -0.55 8.53 8.19 3gzuB1 ASN 168 HA -0.00 -0.02 0.44 -0.75 4.76 4.42 3gzuB1 ASN 168 HB2 -0.10 0.32 0.20 -0.04 2.88 3.25 3gzuB1 ASN 168 HB3 -0.04 -0.06 0.02 -0.04 2.79 2.67 3gzuB1 ASN 168 HD21 0.04 -0.06 -0.01 -0.04 7.03 6.96 3gzuB1 ASN 168 HD22 0.05 0.01 0.02 -0.04 7.74 7.79 3gzuB1 LEU 169 H -0.14 0.44 -0.26 -0.55 8.37 7.87 3gzuB1 LEU 169 HA -0.06 -0.01 0.41 -0.75 4.35 3.94 3gzuB1 LEU 169 HB2 -0.27 0.00 0.24 -0.04 1.64 1.57 3gzuB1 LEU 169 HB3 0.02 0.04 0.12 -0.04 1.64 1.78 3gzuB1 LEU 169 HG 0.07 -0.02 -0.03 -0.04 1.64 1.62 3gzuB1 LEU 169 HD13 -0.04 -0.01 0.04 -0.04 0.93 0.89 3gzuB1 LEU 169 HD23 -0.12 -0.01 0.00 -0.04 0.89 0.72 3gzuB1 TYR 170 H 0.16 0.39 -0.14 -0.55 8.29 8.15 3gzuB1 TYR 170 HA -0.00 -0.01 0.33 -0.75 4.56 4.13 3gzuB1 TYR 170 HB2 0.03 -0.03 0.15 -0.04 3.06 3.17 3gzuB1 TYR 170 HB3 -0.03 0.10 0.12 -0.04 2.98 3.12 3gzuB1 TYR 170 HD2 0.01 0.00 -0.07 -0.04 7.15 7.04 3gzuB1 TYR 170 HE2 0.01 -0.07 -0.12 -0.04 6.85 6.63 3gzuB1 ASP 171 H 0.06 0.38 -0.19 -0.55 8.40 8.11 3gzuB1 ASP 171 HA -0.06 0.01 0.37 -0.75 4.63 4.19 3gzuB1 ASP 171 HB2 0.01 -0.00 0.14 -0.04 2.71 2.82 3gzuB1 ASP 171 HB3 -0.02 0.07 0.08 -0.04 2.70 2.79 3gzuB1 GLN 172 H -0.04 0.60 -0.09 -0.55 8.47 8.40 3gzuB1 GLN 172 HA -0.06 -0.02 0.41 -0.75 4.36 3.94 3gzuB1 GLN 172 HB2 -0.03 -0.02 0.10 -0.04 2.15 2.16 3gzuB1 GLN 172 HB3 -0.03 0.07 0.19 -0.04 2.02 2.21 3gzuB1 GLN 172 HG2 -0.03 0.00 -0.09 -0.04 2.40 2.23 3gzuB1 GLN 172 HG3 -0.06 -0.01 0.01 -0.04 2.39 2.29 3gzuB1 GLN 172 HE21 0.04 -0.05 -0.02 -0.04 6.97 6.91 3gzuB1 GLN 172 HE22 0.07 0.02 -0.02 -0.04 7.69 7.71 3gzuB1 VAL 173 H -0.09 0.91 -0.01 -0.55 8.24 8.50 3gzuB1 VAL 173 HA -0.16 -0.02 0.28 -0.75 4.13 3.47 3gzuB1 VAL 173 HB -0.25 0.12 0.15 -0.04 2.12 2.10 3gzuB1 VAL 173 HG13 -0.18 -0.02 -0.16 -0.04 0.97 0.57 3gzuB1 VAL 173 HG23 -0.08 0.08 -0.04 -0.04 0.95 0.87 3gzuB1 LEU 174 H -0.23 0.51 -0.17 -0.55 8.37 7.93 3gzuB1 LEU 174 HA -0.21 0.03 0.42 -0.75 4.35 3.84 3gzuB1 LEU 174 HB2 -0.17 0.08 0.15 -0.04 1.64 1.66 3gzuB1 LEU 174 HB3 -0.16 -0.04 0.01 -0.04 1.64 1.42 3gzuB1 LEU 174 HG -0.52 0.18 0.08 -0.04 1.64 1.34 3gzuB1 LEU 174 HD13 -0.30 -0.04 -0.03 -0.04 0.93 0.52 3gzuB1 LEU 174 HD23 -0.31 -0.02 -0.03 -0.04 0.89 0.50 3gzuB1 THR 175 H -0.11 0.51 -0.03 -0.55 8.28 8.10 3gzuB1 THR 175 HA -0.08 0.04 0.46 -0.75 4.39 4.05 3gzuB1 THR 175 HB -0.07 0.05 0.12 -0.04 4.32 4.39 3gzuB1 THR 175 HG23 -0.05 -0.03 0.01 -0.04 1.22 1.12 3gzuB1 GLU 176 H -0.12 0.41 -0.41 -0.55 8.60 7.94 3gzuB1 GLU 176 HA -0.10 0.11 0.71 -0.75 4.29 4.25 3gzuB1 GLU 176 HB2 -0.17 0.12 0.04 -0.04 2.09 2.04 3gzuB1 GLU 176 HB3 -0.18 -0.05 0.06 -0.04 1.99 1.78 3gzuB1 GLU 176 HG2 -0.11 0.01 0.01 -0.04 2.34 2.21 3gzuB1 GLU 176 HG3 -0.11 -0.03 -0.07 -0.04 2.34 2.09 3gzuB1 MET 177 H -0.12 0.26 -0.39 -0.55 8.47 7.68 3gzuB1 MET 177 HA -0.14 -0.02 0.27 -0.75 4.52 3.88 3gzuB1 MET 177 HB2 -0.14 0.31 0.22 -0.04 2.15 2.50 3gzuB1 MET 177 HB3 -0.15 -0.06 0.03 -0.04 2.03 1.81 3gzuB1 MET 177 HG2 -0.22 -0.01 -0.00 -0.04 2.63 2.35 3gzuB1 MET 177 HG3 -0.19 -0.14 -0.01 -0.04 2.56 2.18 3gzuB1 MET 177 HE3 -0.24 -0.01 -0.11 -0.04 2.10 1.70 3gzuB1 PRO 178 HA -0.13 -0.00 0.37 -0.51 4.44 4.17 3gzuB1 PRO 178 HB2 0.11 -0.00 0.08 -0.04 2.28 2.43 3gzuB1 PRO 178 HB3 -0.06 -0.03 -0.04 -0.04 2.02 1.85 3gzuB1 PRO 178 HG2 0.15 -0.11 0.03 -0.04 2.03 2.05 3gzuB1 PRO 178 HG3 -0.02 0.10 0.09 -0.04 2.03 2.16 3gzuB1 PRO 178 HD2 0.27 -0.04 0.12 -0.04 3.68 3.99 3gzuB1 PRO 178 HD3 0.19 0.12 -0.02 -0.04 3.65 3.90 3gzuB1 ASP 179 H -0.18 0.17 0.29 -0.55 8.40 8.14 3gzuB1 ASP 179 HA -0.10 0.01 0.40 -0.75 4.63 4.18 3gzuB1 ASP 179 HB2 -0.11 0.05 0.24 -0.04 2.71 2.85 3gzuB1 ASP 179 HB3 -0.03 -0.05 0.10 -0.04 2.70 2.68 3gzuB1 TYR 180 H -0.36 0.31 -0.02 -0.55 8.29 7.66 3gzuB1 TYR 180 HA -0.14 0.18 0.73 -0.75 4.56 4.58 3gzuB1 TYR 180 HB2 -0.37 -0.12 0.18 -0.04 3.06 2.71 3gzuB1 TYR 180 HB3 -0.19 0.15 -0.20 -0.04 2.98 2.70 3gzuB1 TYR 180 HD2 -0.16 0.05 -0.32 -0.04 7.15 6.67 3gzuB1 TYR 180 HE2 -0.08 -0.09 -0.12 -0.04 6.85 6.53 3gzuB1 LEU 181 H 0.07 0.21 0.20 -0.55 8.37 8.30 3gzuB1 LEU 181 HA 0.18 0.02 0.47 -0.75 4.35 4.26 3gzuB1 LEU 181 HB2 0.04 0.04 -0.23 -0.04 1.64 1.44 3gzuB1 LEU 181 HB3 0.03 -0.06 -0.08 -0.04 1.64 1.49 3gzuB1 LEU 181 HG -0.01 0.44 0.04 -0.04 1.64 2.06 3gzuB1 LEU 181 HD13 0.02 -0.01 -0.09 -0.04 0.93 0.81 3gzuB1 LEU 181 HD23 -0.02 -0.05 0.18 -0.04 0.89 0.95 3gzuB1 LEU 182 H 0.05 0.35 0.22 -0.55 8.37 8.44 3gzuB1 LEU 182 HA 0.01 0.23 0.73 -0.75 4.35 4.57 3gzuB1 LEU 182 HB2 0.04 0.04 -0.01 -0.04 1.64 1.66 3gzuB1 LEU 182 HB3 0.02 -0.19 0.01 -0.04 1.64 1.44 3gzuB1 LEU 182 HG -0.14 0.16 -0.35 -0.04 1.64 1.28 3gzuB1 LEU 182 HD13 0.11 0.00 -0.00 -0.04 0.93 1.00 3gzuB1 LEU 182 HD23 0.14 0.02 -0.08 -0.04 0.89 0.93 3gzuB1 LEU 183 H -0.04 0.21 0.17 -0.55 8.37 8.16 3gzuB1 LEU 183 HA -0.14 0.36 0.99 -0.75 4.35 4.81 3gzuB1 LEU 183 HB2 -0.39 0.02 0.04 -0.04 1.64 1.27 3gzuB1 LEU 183 HB3 -0.68 0.01 -0.06 -0.04 1.64 0.87 3gzuB1 LEU 183 HG -0.06 0.01 -0.17 -0.04 1.64 1.39 3gzuB1 LEU 183 HD13 -0.04 0.01 -0.14 -0.04 0.93 0.73 3gzuB1 LEU 183 HD23 -0.07 0.06 -0.26 -0.04 0.89 0.58 3gzuB1 LYS 184 H -0.06 0.12 0.12 -0.55 8.42 8.05 3gzuB1 LYS 184 HA -0.01 0.07 0.39 -0.75 4.32 4.01 3gzuB1 LYS 184 HB2 0.06 0.03 0.13 -0.04 1.87 2.06 3gzuB1 LYS 184 HB3 0.03 -0.00 0.05 -0.04 1.79 1.82 3gzuB1 LYS 184 HG2 0.04 0.03 -0.08 -0.04 1.46 1.40 3gzuB1 LYS 184 HG3 0.08 -0.00 0.07 -0.04 1.46 1.57 3gzuB1 LYS 184 HD2 0.06 0.02 -0.01 -0.04 1.69 1.71 3gzuB1 LYS 184 HD3 0.04 0.01 -0.04 -0.04 1.68 1.65 3gzuB1 LYS 184 HE2 0.04 0.00 -0.03 -0.04 2.99 2.96 3gzuB1 LYS 184 HE3 0.05 -0.01 -0.01 -0.04 2.99 2.98 3gzuB1 ASP 185 H -0.02 0.03 -0.59 -0.55 8.40 7.26 3gzuB1 ASP 185 HA 0.00 0.04 0.31 -0.75 4.63 4.23 3gzuB1 ASP 185 HB2 0.00 0.12 -0.06 -0.04 2.71 2.73 3gzuB1 ASP 185 HB3 0.01 0.03 0.16 -0.04 2.70 2.85 3gzuB1 MET 186 H -0.08 0.37 -0.70 -0.55 8.47 7.51 3gzuB1 MET 186 HA -0.02 0.03 0.82 -0.75 4.52 4.60 3gzuB1 MET 186 HB2 -0.10 0.04 0.05 -0.04 2.15 2.10 3gzuB1 MET 186 HB3 -0.03 -0.12 0.16 -0.04 2.03 2.00 3gzuB1 MET 186 HG2 -0.01 -0.03 0.01 -0.04 2.63 2.55 3gzuB1 MET 186 HG3 -0.03 -0.08 -0.49 -0.04 2.56 1.92 3gzuB1 MET 186 HE3 0.01 -0.12 -0.12 -0.04 2.10 1.82 3gzuB1 ALA 187 H -0.04 0.15 0.15 -0.55 8.40 8.11 3gzuB1 ALA 187 HA 0.06 0.09 0.39 -0.75 4.34 4.13 3gzuB1 ALA 187 HB3 0.09 -0.05 0.12 -0.04 1.41 1.54 3gzuB1 VAL 188 H 0.09 0.28 0.29 -0.55 8.24 8.35 3gzuB1 VAL 188 HA 0.02 0.04 0.59 -0.75 4.13 4.03 3gzuB1 VAL 188 HB 0.03 0.03 -0.22 -0.04 2.12 1.93 3gzuB1 VAL 188 HG13 0.00 -0.01 -0.09 -0.04 0.97 0.84 3gzuB1 VAL 188 HG23 0.01 0.08 -0.26 -0.04 0.95 0.75 3gzuB1 GLU 189 H 0.01 0.11 0.13 -0.55 8.60 8.30 3gzuB1 GLU 189 HA -0.00 0.20 0.71 -0.75 4.29 4.45 3gzuB1 GLU 189 HB2 -0.01 -0.06 0.16 -0.04 2.09 2.14 3gzuB1 GLU 189 HB3 -0.02 -0.00 -0.09 -0.04 1.99 1.84 3gzuB1 GLU 189 HG2 -0.01 0.13 -0.06 -0.04 2.34 2.35 3gzuB1 GLU 189 HG3 0.00 -0.03 -0.06 -0.04 2.34 2.21 3gzuB1 ASN 190 H -0.03 0.75 0.27 -0.55 8.53 8.98 3gzuB1 ASN 190 HA -0.06 -0.03 0.62 -0.75 4.76 4.53 3gzuB1 ASN 190 HB2 -0.05 -0.11 -0.05 -0.04 2.88 2.62 3gzuB1 ASN 190 HB3 -0.05 0.34 0.02 -0.04 2.79 3.06 3gzuB1 ASN 190 HD21 -0.19 -0.04 -0.06 -0.04 7.03 6.69 3gzuB1 ASN 190 HD22 -0.15 -0.21 -0.06 -0.04 7.74 7.29 3gzuB1 LYS 191 H -0.07 0.33 -0.25 -0.55 8.42 7.88 3gzuB1 LYS 191 HA -0.06 -0.03 0.20 -0.75 4.32 3.68 3gzuB1 LYS 191 HB2 -0.11 -0.04 0.06 -0.04 1.87 1.73 3gzuB1 LYS 191 HB3 -0.09 -0.02 -0.06 -0.04 1.79 1.58 3gzuB1 LYS 191 HG2 -0.05 0.07 0.05 -0.04 1.46 1.50 3gzuB1 LYS 191 HG3 -0.04 -0.04 0.02 -0.04 1.46 1.36 3gzuB1 LYS 191 HD2 -0.03 -0.02 0.01 -0.04 1.69 1.60 3gzuB1 LYS 191 HD3 -0.04 0.03 0.01 -0.04 1.68 1.64 3gzuB1 LYS 191 HE2 -0.02 0.01 0.01 -0.04 2.99 2.95 3gzuB1 LYS 191 HE3 -0.02 -0.02 0.01 -0.04 2.99 2.92 3gzuB1 ASN 192 H -0.25 -0.05 -0.44 -0.55 8.53 7.25 3gzuB1 ASN 192 HA -0.18 0.03 0.73 -0.75 4.76 4.59 3gzuB1 ASN 192 HB2 -0.75 0.06 -0.07 -0.04 2.88 2.08 3gzuB1 ASN 192 HB3 -0.82 -0.08 0.05 -0.04 2.79 1.90 3gzuB1 ASN 192 HD21 -0.24 -0.01 -0.08 -0.04 7.03 6.66 3gzuB1 ASN 192 HD22 -0.24 0.02 -0.10 -0.04 7.74 7.38 3gzuB1 SER 193 H -0.05 -0.07 0.11 -0.55 8.46 7.91 3gzuB1 SER 193 HA 0.01 -0.22 0.42 -0.75 4.49 3.95 3gzuB1 SER 193 HB2 -0.04 -0.19 -0.20 -0.04 3.95 3.48 3gzuB1 SER 193 HB3 -0.07 0.56 0.50 -0.04 3.93 4.88 3gzuB1 ARG 194 H 0.01 -0.05 0.10 -0.55 8.46 7.96 3gzuB1 ARG 194 HA -0.01 0.02 0.32 -0.75 4.34 3.92 3gzuB1 ARG 194 HB2 0.00 0.01 0.07 -0.04 1.90 1.94 3gzuB1 ARG 194 HB3 -0.00 -0.12 0.15 -0.04 1.80 1.79 3gzuB1 ARG 194 HG2 0.01 -0.03 0.06 -0.04 1.67 1.68 3gzuB1 ARG 194 HG3 0.01 -0.01 0.05 -0.04 1.67 1.68 3gzuB1 ARG 194 HD2 0.00 -0.01 0.03 -0.04 3.22 3.20 3gzuB1 ARG 194 HD3 -0.00 -0.01 0.07 -0.04 3.22 3.24 3gzuB1 ASP 195 H -0.01 -0.01 0.07 -0.55 8.40 7.90 3gzuB1 ASP 195 HA -0.02 -0.08 0.37 -0.75 4.63 4.15 3gzuB1 ASP 195 HB2 -0.03 0.23 -0.23 -0.04 2.71 2.64 3gzuB1 ASP 195 HB3 -0.04 0.03 -0.01 -0.04 2.70 2.64 3gzuB1 ALA 196 H -0.02 0.01 0.02 -0.55 8.40 7.86 3gzuB1 ALA 196 HA -0.03 0.14 0.23 -0.75 4.34 3.92 3gzuB1 ALA 196 HB3 -0.02 -0.03 0.11 -0.04 1.41 1.43 3gzuB1 GLY 197 H -0.04 1.06 0.65 -0.55 8.43 9.55 3gzuB1 GLY 197 HA2 -0.06 -0.21 0.42 -0.51 4.01 3.64 3gzuB1 GLY 197 HA3 -0.06 0.27 0.41 -0.51 4.01 4.13 3gzuB1 LYS 198 H -0.07 0.02 0.38 -0.55 8.42 8.20 3gzuB1 LYS 198 HA 0.01 0.14 1.11 -0.75 4.32 4.82 3gzuB1 LYS 198 HB2 -0.05 -0.11 0.18 -0.04 1.87 1.85 3gzuB1 LYS 198 HB3 0.10 -0.01 0.11 -0.04 1.79 1.95 3gzuB1 LYS 198 HG2 0.01 -0.01 -0.12 -0.04 1.46 1.30 3gzuB1 LYS 198 HG3 -0.02 0.24 -0.12 -0.04 1.46 1.52 3gzuB1 LYS 198 HD2 0.02 -0.04 -0.01 -0.04 1.69 1.61 3gzuB1 LYS 198 HD3 0.07 -0.03 -0.05 -0.04 1.68 1.63 3gzuB1 LYS 198 HE2 0.02 -0.02 -0.10 -0.04 2.99 2.84 3gzuB1 LYS 198 HE3 0.00 0.01 -0.05 -0.04 2.99 2.92 3gzuB1 VAL 199 H 0.06 0.55 0.24 -0.55 8.24 8.54 3gzuB1 VAL 199 HA 0.11 0.27 1.01 -0.75 4.13 4.76 3gzuB1 VAL 199 HB 0.03 -0.05 -0.15 -0.04 2.12 1.90 3gzuB1 VAL 199 HG13 0.06 0.07 -0.04 -0.04 0.97 1.01 3gzuB1 VAL 199 HG23 -0.01 0.02 -0.25 -0.04 0.95 0.67 3gzuB1 VAL 200 H 0.12 0.44 0.17 -0.55 8.24 8.42 3gzuB1 VAL 200 HA 0.03 0.04 0.24 -0.75 4.13 3.70 3gzuB1 VAL 200 HB 0.08 -0.17 0.22 -0.04 2.12 2.21 3gzuB1 VAL 200 HG13 0.04 -0.01 -0.16 -0.04 0.97 0.80 3gzuB1 VAL 200 HG23 0.12 0.13 -0.21 -0.04 0.95 0.94 3gzuB1 ASP 201 H 0.04 -0.04 0.09 -0.55 8.40 7.95 3gzuB1 ASP 201 HA 0.01 0.60 0.89 -0.75 4.63 5.37 3gzuB1 ASP 201 HB2 0.02 0.10 0.17 -0.04 2.71 2.96 3gzuB1 ASP 201 HB3 0.03 0.09 -0.08 -0.04 2.70 2.69 3gzuB1 SER 202 H 0.02 0.21 0.16 -0.55 8.46 8.30 3gzuB1 SER 202 HA 0.01 0.13 0.34 -0.75 4.49 4.21 3gzuB1 SER 202 HB2 0.02 -0.08 0.14 -0.04 3.95 3.99 3gzuB1 SER 202 HB3 0.01 0.03 0.05 -0.04 3.93 3.98 3gzuB1 GLU 203 H 0.02 0.09 -0.05 -0.55 8.60 8.11 3gzuB1 GLU 203 HA 0.00 0.04 0.39 -0.75 4.29 3.97 3gzuB1 GLU 203 HB2 0.04 -0.00 0.06 -0.04 2.09 2.14 3gzuB1 GLU 203 HB3 0.02 0.08 0.01 -0.04 1.99 2.06 3gzuB1 GLU 203 HG2 0.02 -0.04 0.06 -0.04 2.34 2.34 3gzuB1 GLU 203 HG3 0.04 -0.03 0.04 -0.04 2.34 2.34 3gzuB1 THR 204 H 0.03 0.00 -0.30 -0.55 8.28 7.46 3gzuB1 THR 204 HA 0.04 0.06 0.32 -0.75 4.39 4.05 3gzuB1 THR 204 HB 0.04 0.13 -0.03 -0.04 4.32 4.42 3gzuB1 THR 204 HG23 0.08 0.06 0.14 -0.04 1.22 1.45 3gzuB1 ALA 205 H 0.01 0.49 -0.23 -0.55 8.40 8.12 3gzuB1 ALA 205 HA -0.02 -0.00 0.27 -0.75 4.34 3.83 3gzuB1 ALA 205 HB3 -0.01 0.03 0.07 -0.04 1.41 1.47 3gzuB1 SER 206 H -0.02 0.57 0.07 -0.55 8.46 8.54 3gzuB1 SER 206 HA -0.03 -0.04 0.34 -0.75 4.49 4.01 3gzuB1 SER 206 HB2 -0.01 -0.02 0.11 -0.04 3.95 3.98 3gzuB1 SER 206 HB3 -0.03 0.08 0.22 -0.04 3.93 4.15 3gzuB1 ILE 207 H -0.07 0.41 -0.04 -0.55 8.25 8.00 3gzuB1 ILE 207 HA -0.21 -0.07 0.36 -0.75 4.18 3.51 3gzuB1 ILE 207 HB -0.08 0.20 0.10 -0.04 1.89 2.07 3gzuB1 ILE 207 HG12 -0.20 -0.07 0.08 -0.04 1.49 1.26 3gzuB1 ILE 207 HG13 -0.08 0.24 0.15 -0.04 1.21 1.47 3gzuB1 ILE 207 HG23 -0.29 -0.03 -0.10 -0.04 0.93 0.47 3gzuB1 ILE 207 HD13 -0.08 -0.04 -0.10 -0.04 0.88 0.61 3gzuB1 CYS 208 H -0.07 0.52 -0.16 -0.55 8.50 8.24 3gzuB1 CYS 208 HA -0.09 -0.08 0.37 -0.75 4.58 4.02 3gzuB1 CYS 208 HB2 -0.09 0.02 0.21 -0.04 2.97 3.07 3gzuB1 CYS 208 HB3 -0.09 -0.03 0.03 -0.04 2.97 2.83 3gzuB1 ASP 209 H -0.09 0.42 0.07 -0.55 8.40 8.26 3gzuB1 ASP 209 HA -0.13 -0.05 0.32 -0.75 4.63 4.01 3gzuB1 ASP 209 HB2 -0.04 0.07 0.05 -0.04 2.71 2.75 3gzuB1 ASP 209 HB3 -0.05 -0.07 0.04 -0.04 2.70 2.58 3gzuB1 ALA 210 H -0.06 0.60 -0.42 -0.55 8.40 7.96 3gzuB1 ALA 210 HA 0.04 -0.04 0.36 -0.75 4.34 3.95 3gzuB1 ALA 210 HB3 -0.08 0.01 0.05 -0.04 1.41 1.35 3gzuB1 ILE 211 H -0.23 0.72 0.18 -0.55 8.25 8.37 3gzuB1 ILE 211 HA -0.16 -0.06 0.36 -0.75 4.18 3.56 3gzuB1 ILE 211 HB -0.21 0.06 0.05 -0.04 1.89 1.74 3gzuB1 ILE 211 HG12 -0.87 -0.07 0.03 -0.04 1.49 0.54 3gzuB1 ILE 211 HG13 -0.48 0.31 0.15 -0.04 1.21 1.14 3gzuB1 ILE 211 HG23 -0.24 -0.03 -0.13 -0.04 0.93 0.49 3gzuB1 ILE 211 HD13 -0.41 -0.03 -0.07 -0.04 0.88 0.32 3gzuB1 PHE 212 H 0.08 0.80 -0.10 -0.55 8.34 8.56 3gzuB1 PHE 212 HA -0.07 -0.10 0.28 -0.75 4.62 3.97 3gzuB1 PHE 212 HB2 -0.06 0.18 -0.02 -0.04 3.15 3.20 3gzuB1 PHE 212 HB3 -0.04 0.12 0.01 -0.04 3.06 3.11 3gzuB1 PHE 212 HD2 -0.03 0.01 -0.05 -0.04 7.28 7.17 3gzuB1 PHE 212 HE2 -0.02 0.01 -0.03 -0.04 7.38 7.30 3gzuB1 PHE 212 HZ -0.01 -0.06 -0.02 -0.04 7.32 7.19 3gzuB1 GLN 213 H 0.12 0.42 -0.56 -0.55 8.47 7.90 3gzuB1 GLN 213 HA -0.05 0.07 0.64 -0.75 4.36 4.27 3gzuB1 GLN 213 HB2 0.08 0.20 0.11 -0.04 2.15 2.50 3gzuB1 GLN 213 HB3 0.05 -0.12 0.10 -0.04 2.02 2.00 3gzuB1 GLN 213 HG2 0.05 -0.07 -0.00 -0.04 2.40 2.34 3gzuB1 GLN 213 HG3 0.19 0.01 -0.07 -0.04 2.39 2.48 3gzuB1 GLN 213 HE21 0.07 -0.07 -0.01 -0.04 6.97 6.92 3gzuB1 GLN 213 HE22 0.16 0.04 0.00 -0.04 7.69 7.85 3gzuB1 ASP 214 H 0.06 0.58 0.05 -0.55 8.40 8.53 3gzuB1 ASP 214 HA 0.10 0.03 0.58 -0.75 4.63 4.59 3gzuB1 ASP 214 HB2 0.34 0.05 0.12 -0.04 2.71 3.18 3gzuB1 ASP 214 HB3 0.19 -0.00 0.20 -0.04 2.70 3.04 3gzuB1 GLU 215 H 0.01 0.53 0.27 -0.55 8.60 8.87 3gzuB1 GLU 215 HA -0.04 0.08 0.21 -0.75 4.29 3.79 3gzuB1 GLU 215 HB2 0.00 -0.03 0.10 -0.04 2.09 2.12 3gzuB1 GLU 215 HB3 -0.01 -0.05 0.05 -0.04 1.99 1.94 3gzuB1 GLU 215 HG2 -0.03 -0.06 0.09 -0.04 2.34 2.31 3gzuB1 GLU 215 HG3 -0.03 0.14 0.15 -0.04 2.34 2.55 3gzuB1 GLU 216 H 0.04 0.17 -0.62 -0.55 8.60 7.65 3gzuB1 GLU 216 HA 0.01 0.13 0.81 -0.75 4.29 4.48 3gzuB1 GLU 216 HB2 0.03 -0.05 0.18 -0.04 2.09 2.21 3gzuB1 GLU 216 HB3 0.02 -0.02 0.01 -0.04 1.99 1.96 3gzuB1 GLU 216 HG2 0.08 0.07 -0.05 -0.04 2.34 2.40 3gzuB1 GLU 216 HG3 0.09 -0.01 0.07 -0.04 2.34 2.45 3gzuB1 THR 217 H -0.02 0.31 -0.50 -0.55 8.28 7.52 3gzuB1 THR 217 HA -0.00 0.08 0.99 -0.75 4.39 4.71 3gzuB1 THR 217 HB -0.07 0.02 0.02 -0.04 4.32 4.26 3gzuB1 THR 217 HG23 -0.09 -0.03 -0.02 -0.04 1.22 1.04 3gzuB1 GLU 218 H -0.01 0.16 0.05 -0.55 8.60 8.25 3gzuB1 GLU 218 HA -0.02 0.03 0.39 -0.75 4.29 3.94 3gzuB1 GLU 218 HB2 -0.01 -0.11 0.03 -0.04 2.09 1.96 3gzuB1 GLU 218 HB3 -0.01 0.10 0.14 -0.04 1.99 2.18 3gzuB1 GLU 218 HG2 -0.02 0.02 0.10 -0.04 2.34 2.40 3gzuB1 GLU 218 HG3 -0.01 -0.10 0.01 -0.04 2.34 2.19 3gzuB1 GLY 219 H -0.02 0.16 0.16 -0.55 8.43 8.19 3gzuB1 GLY 219 HA2 -0.03 0.14 0.39 -0.51 4.01 3.99 3gzuB1 GLY 219 HA3 -0.01 0.05 0.37 -0.51 4.01 3.91 3gzuB1 ALA 220 H 0.00 -0.01 -0.61 -0.55 8.40 7.23 3gzuB1 ALA 220 HA 0.04 0.08 0.41 -0.75 4.34 4.13 3gzuB1 ALA 220 HB3 0.01 0.01 0.01 -0.04 1.41 1.40 3gzuB1 VAL 221 H 0.00 0.65 -0.10 -0.55 8.24 8.25 3gzuB1 VAL 221 HA 0.09 0.00 0.36 -0.75 4.13 3.83 3gzuB1 VAL 221 HB -0.07 0.12 -0.00 -0.04 2.12 2.13 3gzuB1 VAL 221 HG13 -0.35 -0.01 -0.16 -0.04 0.97 0.41 3gzuB1 VAL 221 HG23 -0.06 0.01 -0.05 -0.04 0.95 0.81 3gzuB1 ARG 222 H -0.01 0.26 -0.12 -0.55 8.46 8.03 3gzuB1 ARG 222 HA 0.18 0.07 0.32 -0.75 4.34 4.16 3gzuB1 ARG 222 HB2 -0.03 0.02 0.06 -0.04 1.90 1.90 3gzuB1 ARG 222 HB3 -0.11 -0.00 0.03 -0.04 1.80 1.68 3gzuB1 ARG 222 HG2 -0.22 0.07 0.04 -0.04 1.67 1.52 3gzuB1 ARG 222 HG3 -0.11 0.01 0.05 -0.04 1.67 1.58 3gzuB1 ARG 222 HD2 -0.19 -0.08 0.03 -0.04 3.22 2.94 3gzuB1 ARG 222 HD3 -0.54 -0.01 0.02 -0.04 3.22 2.65 3gzuB1 ARG 223 H 0.07 0.28 -0.32 -0.55 8.46 7.93 3gzuB1 ARG 223 HA 0.08 -0.04 0.34 -0.75 4.34 3.97 3gzuB1 ARG 223 HB2 0.10 0.13 0.17 -0.04 1.90 2.26 3gzuB1 ARG 223 HB3 0.11 -0.01 -0.09 -0.04 1.80 1.78 3gzuB1 ARG 223 HG2 0.04 0.05 0.07 -0.04 1.67 1.79 3gzuB1 ARG 223 HG3 0.04 -0.07 -0.01 -0.04 1.67 1.59 3gzuB1 ARG 223 HD2 0.05 0.00 -0.01 -0.04 3.22 3.22 3gzuB1 ARG 223 HD3 0.05 -0.02 0.05 -0.04 3.22 3.26 3gzuB1 PHE 224 H 0.27 0.62 -0.05 -0.55 8.34 8.62 3gzuB1 PHE 224 HA 0.06 -0.02 0.35 -0.75 4.62 4.26 3gzuB1 PHE 224 HB2 0.12 -0.00 0.11 -0.04 3.15 3.34 3gzuB1 PHE 224 HB3 0.20 0.02 0.15 -0.04 3.06 3.39 3gzuB1 PHE 224 HD2 0.27 -0.03 -0.06 -0.04 7.28 7.42 3gzuB1 PHE 224 HE2 -0.05 -0.00 -0.07 -0.04 7.38 7.22 3gzuB1 PHE 224 HZ -0.06 0.02 -0.08 -0.04 7.32 7.16 3gzuB1 ILE 225 H 0.24 0.56 -0.04 -0.55 8.25 8.46 3gzuB1 ILE 225 HA -0.01 -0.05 0.29 -0.75 4.18 3.66 3gzuB1 ILE 225 HB 0.15 0.07 0.11 -0.04 1.89 2.18 3gzuB1 ILE 225 HG12 0.07 -0.05 -0.00 -0.04 1.49 1.47 3gzuB1 ILE 225 HG13 0.09 0.13 0.03 -0.04 1.21 1.43 3gzuB1 ILE 225 HG23 -0.06 -0.01 -0.22 -0.04 0.93 0.60 3gzuB1 ILE 225 HD13 0.02 -0.05 -0.11 -0.04 0.88 0.71 3gzuB1 ALA 226 H 0.09 0.63 -0.36 -0.55 8.40 8.22 3gzuB1 ALA 226 HA 0.00 -0.01 0.29 -0.75 4.34 3.86 3gzuB1 ALA 226 HB3 0.08 0.02 0.20 -0.04 1.41 1.66 3gzuB1 GLU 227 H 0.01 0.04 0.13 -0.55 8.60 8.23 3gzuB1 GLU 227 HA -0.03 -0.02 0.21 -0.75 4.29 3.70 3gzuB1 GLU 227 HB2 0.00 0.08 0.05 -0.04 2.09 2.18 3gzuB1 GLU 227 HB3 -0.01 -0.06 0.04 -0.04 1.99 1.91 3gzuB1 GLU 227 HG2 0.00 -0.06 0.06 -0.04 2.34 2.30 3gzuB1 GLU 227 HG3 0.02 -0.04 0.12 -0.04 2.34 2.40 3gzuB1 MET 228 H -0.16 0.49 -0.56 -0.55 8.47 7.69 3gzuB1 MET 228 HA -0.15 -0.14 0.46 -0.75 4.52 3.94 3gzuB1 MET 228 HB2 -0.33 -0.11 -0.00 -0.04 2.15 1.67 3gzuB1 MET 228 HB3 -0.65 -0.12 0.05 -0.04 2.03 1.27 3gzuB1 MET 228 HG2 -0.31 0.53 0.12 -0.04 2.63 2.93 3gzuB1 MET 228 HG3 -0.19 0.10 0.27 -0.04 2.56 2.70 3gzuB1 MET 228 HE3 -0.08 -0.02 -0.05 -0.04 2.10 1.91 3gzuB1 ARG 229 H -0.08 0.06 0.36 -0.55 8.46 8.25 3gzuB1 ARG 229 HA -0.09 0.18 0.99 -0.75 4.34 4.66 3gzuB1 ARG 229 HB2 -0.07 -0.12 0.04 -0.04 1.90 1.70 3gzuB1 ARG 229 HB3 -0.06 0.06 0.04 -0.04 1.80 1.79 3gzuB1 ARG 229 HG2 -0.05 -0.06 0.12 -0.04 1.67 1.64 3gzuB1 ARG 229 HG3 -0.07 0.43 -0.14 -0.04 1.67 1.84 3gzuB1 ARG 229 HD2 -0.06 -0.05 -0.05 -0.04 3.22 3.02 3gzuB1 ARG 229 HD3 -0.04 -0.07 -0.00 -0.04 3.22 3.06 3gzuB1 GLN 230 H -0.14 -0.02 0.25 -0.55 8.47 8.01 3gzuB1 GLN 230 HA -0.21 0.11 0.52 -0.75 4.36 4.03 3gzuB1 GLN 230 HB2 -0.83 -0.10 0.13 -0.04 2.15 1.30 3gzuB1 GLN 230 HB3 -0.37 0.16 0.25 -0.04 2.02 2.02 3gzuB1 GLN 230 HG2 -0.23 -0.07 -0.28 -0.04 2.40 1.77 3gzuB1 GLN 230 HG3 -0.28 -0.00 -0.01 -0.04 2.39 2.05 3gzuB1 GLN 230 HE21 -0.08 0.00 -0.09 -0.04 6.97 6.76 3gzuB1 GLN 230 HE22 -0.10 -0.04 -0.19 -0.04 7.69 7.32 3gzuB1 ARG 231 H -0.34 0.15 0.05 -0.55 8.46 7.78 3gzuB1 ARG 231 HA -0.08 0.09 0.78 -0.75 4.34 4.38 3gzuB1 ARG 231 HB2 -0.04 0.14 -0.07 -0.04 1.90 1.88 3gzuB1 ARG 231 HB3 -0.03 -0.07 0.33 -0.04 1.80 1.99 3gzuB1 ARG 231 HG2 0.00 -0.02 -0.03 -0.04 1.67 1.59 3gzuB1 ARG 231 HG3 -0.00 -0.07 -0.18 -0.04 1.67 1.37 3gzuB1 ARG 231 HD2 -0.03 -0.01 0.03 -0.04 3.22 3.17 3gzuB1 ARG 231 HD3 -0.02 0.05 0.02 -0.04 3.22 3.23 3gzuB1 VAL 232 H -0.07 0.20 0.03 -0.55 8.24 7.86 3gzuB1 VAL 232 HA -0.01 0.32 1.13 -0.75 4.13 4.82 3gzuB1 VAL 232 HB -0.04 -0.03 0.14 -0.04 2.12 2.15 3gzuB1 VAL 232 HG13 0.01 -0.00 -0.17 -0.04 0.97 0.77 3gzuB1 VAL 232 HG23 -0.10 0.00 -0.15 -0.04 0.95 0.65 3gzuB1 GLN 233 H 0.02 0.69 0.17 -0.55 8.47 8.80 3gzuB1 GLN 233 HA 0.00 0.08 1.02 -0.75 4.36 4.71 3gzuB1 GLN 233 HB2 0.02 0.03 0.14 -0.04 2.15 2.29 3gzuB1 GLN 233 HB3 0.01 0.01 -0.03 -0.04 2.02 1.97 3gzuB1 GLN 233 HG2 0.00 0.00 -0.06 -0.04 2.40 2.30 3gzuB1 GLN 233 HG3 0.00 -0.02 -0.25 -0.04 2.39 2.08 3gzuB1 GLN 233 HE21 0.01 -0.01 -0.07 -0.04 6.97 6.86 3gzuB1 GLN 233 HE22 0.01 0.01 -0.11 -0.04 7.69 7.56 3gzuB1 ALA 234 H 0.00 0.12 0.10 -0.55 8.40 8.08 3gzuB1 ALA 234 HA 0.01 0.08 0.40 -0.75 4.34 4.08 3gzuB1 ALA 234 HB3 0.00 -0.03 0.13 -0.04 1.41 1.47 3gzuB1 ASP 235 H -0.00 -0.01 0.01 -0.55 8.40 7.84 3gzuB1 ASP 235 HA -0.01 0.07 0.39 -0.75 4.63 4.33 3gzuB1 ASP 235 HB2 -0.00 0.05 -0.07 -0.04 2.71 2.65 3gzuB1 ASP 235 HB3 -0.01 0.01 0.13 -0.04 2.70 2.80 3gzuB1 ARG 236 H -0.01 0.08 0.14 -0.55 8.46 8.11 3gzuB1 ARG 236 HA -0.02 0.02 0.39 -0.75 4.34 3.97 3gzuB1 ARG 236 HB2 0.00 0.05 -0.02 -0.04 1.90 1.90 3gzuB1 ARG 236 HB3 -0.01 -0.02 0.08 -0.04 1.80 1.81 3gzuB1 ARG 236 HG2 -0.00 -0.13 -0.33 -0.04 1.67 1.17 3gzuB1 ARG 236 HG3 0.00 0.25 -0.63 -0.04 1.67 1.24 3gzuB1 ARG 236 HD2 0.00 -0.02 -0.11 -0.04 3.22 3.05 3gzuB1 ARG 236 HD3 0.01 0.04 -0.09 -0.04 3.22 3.14 3gzuB1 ASN 237 H -0.00 0.70 -0.52 -0.55 8.53 8.17 3gzuB1 ASN 237 HA 0.01 0.11 0.39 -0.75 4.76 4.52 3gzuB1 ASN 237 HB2 -0.03 0.16 0.41 -0.04 2.88 3.38 3gzuB1 ASN 237 HB3 -0.02 -0.01 0.40 -0.04 2.79 3.12 3gzuB1 ASN 237 HD21 -0.12 -0.10 -0.04 -0.04 7.03 6.73 3gzuB1 ASN 237 HD22 -0.17 0.02 0.02 -0.04 7.74 7.57 3gzuB1 VAL 238 H 0.02 0.28 0.10 -0.55 8.24 8.09 3gzuB1 VAL 238 HA 0.06 0.23 0.81 -0.75 4.13 4.47 3gzuB1 VAL 238 HB 0.03 -0.07 0.06 -0.04 2.12 2.09 3gzuB1 VAL 238 HG13 0.05 -0.01 -0.20 -0.04 0.97 0.77 3gzuB1 VAL 238 HG23 0.03 0.00 -0.13 -0.04 0.95 0.81 3gzuB1 VAL 239 H 0.10 0.42 0.23 -0.55 8.24 8.44 3gzuB1 VAL 239 HA 0.12 0.28 0.86 -0.75 4.13 4.64 3gzuB1 VAL 239 HB 0.47 -0.11 0.02 -0.04 2.12 2.46 3gzuB1 VAL 239 HG13 0.19 -0.01 -0.12 -0.04 0.97 0.99 3gzuB1 VAL 239 HG23 0.12 -0.04 -0.06 -0.04 0.95 0.93 3gzuB1 ASN 240 H 0.06 0.50 0.23 -0.55 8.53 8.77 3gzuB1 ASN 240 HA 0.16 0.65 1.08 -0.75 4.76 5.90 3gzuB1 ASN 240 HB2 0.03 -0.05 0.17 -0.04 2.88 2.99 3gzuB1 ASN 240 HB3 0.06 -0.04 0.01 -0.04 2.79 2.78 3gzuB1 ASN 240 HD21 0.05 -0.01 -0.10 -0.04 7.03 6.93 3gzuB1 ASN 240 HD22 0.04 -0.02 -0.07 -0.04 7.74 7.64 3gzuB1 TYR 241 H 0.35 0.30 0.12 -0.55 8.29 8.51 3gzuB1 TYR 241 HA 0.01 0.15 0.92 -0.75 4.56 4.89 3gzuB1 TYR 241 HB2 0.04 -0.02 0.01 -0.04 3.06 3.05 3gzuB1 TYR 241 HB3 0.02 0.09 -0.11 -0.04 2.98 2.94 3gzuB1 TYR 241 HD2 0.02 0.01 -0.34 -0.04 7.15 6.80 3gzuB1 TYR 241 HE2 0.02 0.00 -0.08 -0.04 6.85 6.75 3gzuB1 PRO 242 HA 0.06 0.03 0.52 -0.51 4.44 4.54 3gzuB1 PRO 242 HB2 -0.02 0.01 0.01 -0.04 2.28 2.25 3gzuB1 PRO 242 HB3 -0.06 0.02 0.00 -0.04 2.02 1.94 3gzuB1 PRO 242 HG2 -0.09 0.18 -0.33 -0.04 2.03 1.75 3gzuB1 PRO 242 HG3 -0.05 0.05 -0.13 -0.04 2.03 1.86 3gzuB1 PRO 242 HD2 -0.01 0.26 0.28 -0.04 3.68 4.16 3gzuB1 PRO 242 HD3 -0.08 0.09 0.27 -0.04 3.65 3.89 3gzuB1 SER 243 H 0.08 0.44 0.28 -0.55 8.46 8.71 3gzuB1 SER 243 HA 0.09 0.03 0.68 -0.75 4.49 4.54 3gzuB1 SER 243 HB2 0.11 -0.14 0.05 -0.04 3.95 3.93 3gzuB1 SER 243 HB3 0.11 0.04 -0.23 -0.04 3.93 3.81 3gzuB1 ILE 244 H 0.11 0.20 0.13 -0.55 8.25 8.14 3gzuB1 ILE 244 HA 0.11 0.18 0.81 -0.75 4.18 4.52 3gzuB1 ILE 244 HB 0.18 0.07 -0.17 -0.04 1.89 1.92 3gzuB1 ILE 244 HG12 0.18 -0.04 -0.15 -0.04 1.49 1.44 3gzuB1 ILE 244 HG13 0.20 0.07 -0.40 -0.04 1.21 1.04 3gzuB1 ILE 244 HG23 0.09 -0.02 0.02 -0.04 0.93 0.99 3gzuB1 ILE 244 HD13 0.25 0.09 -0.39 -0.04 0.88 0.79 3gzuB1 LEU 245 H 0.19 0.49 0.13 -0.55 8.37 8.63 3gzuB1 LEU 245 HA 0.19 0.18 0.98 -0.75 4.35 4.94 3gzuB1 LEU 245 HB2 0.25 -0.16 0.24 -0.04 1.64 1.93 3gzuB1 LEU 245 HB3 0.17 -0.02 0.02 -0.04 1.64 1.78 3gzuB1 LEU 245 HG 0.20 -0.03 -0.27 -0.04 1.64 1.50 3gzuB1 LEU 245 HD13 0.22 0.03 -0.19 -0.04 0.93 0.93 3gzuB1 LEU 245 HD23 0.13 0.08 -0.14 -0.04 0.89 0.92 3gzuB1 HIS 246 H 0.19 0.25 0.24 -0.55 8.41 8.54 3gzuB1 HIS 246 HA -0.26 0.15 0.41 -0.75 4.63 4.17 3gzuB1 HIS 246 HB2 -0.70 0.41 0.34 -0.04 3.26 3.27 3gzuB1 HIS 246 HB3 -0.28 -0.19 -0.14 -0.04 3.20 2.55 3gzuB1 HIS 246 HD2 -3.86 0.06 0.07 -0.04 6.97 3.19 3gzuB1 HIS 246 HE1 -0.24 0.07 0.01 -0.04 7.75 7.55 3gzuB1 PRO 247 HA -0.04 0.14 0.47 -0.51 4.44 4.50 3gzuB1 PRO 247 HB2 -0.46 -0.03 0.12 -0.04 2.28 1.87 3gzuB1 PRO 247 HB3 -0.19 0.09 0.08 -0.04 2.02 1.95 3gzuB1 PRO 247 HG2 -0.48 0.05 0.07 -0.04 2.03 1.63 3gzuB1 PRO 247 HG3 -0.28 0.16 0.06 -0.04 2.03 1.93 3gzuB1 PRO 247 HD2 -2.73 0.11 0.20 -0.04 3.68 1.23 3gzuB1 PRO 247 HD3 -0.69 0.16 0.15 -0.04 3.65 3.23 3gzuB1 ILE 248 H 0.11 0.14 -0.09 -0.55 8.25 7.86 3gzuB1 ILE 248 HA -0.04 0.15 0.47 -0.75 4.18 4.01 3gzuB1 ILE 248 HB 0.36 -0.03 -0.01 -0.04 1.89 2.16 3gzuB1 ILE 248 HG12 0.01 0.06 -0.02 -0.04 1.49 1.50 3gzuB1 ILE 248 HG13 0.13 -0.07 0.00 -0.04 1.21 1.23 3gzuB1 ILE 248 HG23 -0.27 0.02 -0.10 -0.04 0.93 0.55 3gzuB1 ILE 248 HD13 0.10 0.02 -0.04 -0.04 0.88 0.92 3gzuB1 ASP 249 H 0.16 -0.01 -0.52 -0.55 8.40 7.49 3gzuB1 ASP 249 HA -0.09 0.15 0.52 -0.75 4.63 4.44 3gzuB1 ASP 249 HB2 0.14 -0.08 -0.01 -0.04 2.71 2.72 3gzuB1 ASP 249 HB3 0.08 0.15 -0.02 -0.04 2.70 2.87 3gzuB1 TYR 250 H 0.17 0.72 0.14 -0.55 8.29 8.78 3gzuB1 TYR 250 HA -0.00 0.02 0.29 -0.75 4.56 4.11 3gzuB1 TYR 250 HB2 -0.06 -0.10 0.10 -0.04 3.06 2.95 3gzuB1 TYR 250 HB3 -0.20 0.09 0.11 -0.04 2.98 2.94 3gzuB1 TYR 250 HD2 -0.24 -0.00 -0.05 -0.04 7.15 6.82 3gzuB1 TYR 250 HE2 -0.11 0.04 -0.02 -0.04 6.85 6.72 3gzuB1 ALA 251 H 0.04 0.31 -0.56 -0.55 8.40 7.65 3gzuB1 ALA 251 HA -0.07 -0.05 0.27 -0.75 4.34 3.74 3gzuB1 ALA 251 HB3 -0.03 0.13 0.08 -0.04 1.41 1.55 3gzuB1 PHE 252 H 0.09 0.30 -0.18 -0.55 8.34 7.99 3gzuB1 PHE 252 HA 0.22 -0.00 0.35 -0.75 4.62 4.44 3gzuB1 PHE 252 HB2 0.06 0.10 0.24 -0.04 3.15 3.50 3gzuB1 PHE 252 HB3 -0.05 0.05 0.07 -0.04 3.06 3.09 3gzuB1 PHE 252 HD2 0.27 -0.01 -0.08 -0.04 7.28 7.41 3gzuB1 PHE 252 HE2 0.17 -0.03 -0.09 -0.04 7.38 7.39 3gzuB1 PHE 252 HZ 0.11 -0.05 -0.07 -0.04 7.32 7.26 3gzuB1 ASN 253 H 0.15 0.20 0.07 -0.55 8.53 8.41 3gzuB1 ASN 253 HA -0.27 0.05 0.31 -0.75 4.76 4.10 3gzuB1 ASN 253 HB2 0.05 -0.05 -0.02 -0.04 2.88 2.82 3gzuB1 ASN 253 HB3 0.01 -0.02 0.04 -0.04 2.79 2.79 3gzuB1 ASN 253 HD21 0.10 0.20 0.04 -0.04 7.03 7.33 3gzuB1 ASN 253 HD22 0.11 -0.09 -0.28 -0.04 7.74 7.43 3gzuB1 GLU 254 H -0.05 0.56 -0.72 -0.55 8.60 7.85 3gzuB1 GLU 254 HA -0.09 -0.07 0.39 -0.75 4.29 3.77 3gzuB1 GLU 254 HB2 -0.84 -0.04 0.07 -0.04 2.09 1.23 3gzuB1 GLU 254 HB3 -0.18 0.29 0.25 -0.04 1.99 2.30 3gzuB1 GLU 254 HG2 -0.21 -0.05 0.02 -0.04 2.34 2.06 3gzuB1 GLU 254 HG3 -0.02 -0.02 -0.20 -0.04 2.34 2.05 3gzuB1 TYR 255 H 0.21 0.41 0.21 -0.55 8.29 8.57 3gzuB1 TYR 255 HA 0.02 -0.11 0.33 -0.75 4.56 4.05 3gzuB1 TYR 255 HB2 0.03 -0.00 0.17 -0.04 3.06 3.22 3gzuB1 TYR 255 HB3 0.08 0.08 0.04 -0.04 2.98 3.14 3gzuB1 TYR 255 HD2 -0.11 -0.00 -0.07 -0.04 7.15 6.92 3gzuB1 TYR 255 HE2 -0.21 0.00 -0.06 -0.04 6.85 6.54 3gzuB1 PHE 256 H 0.57 0.31 -0.74 -0.55 8.34 7.93 3gzuB1 PHE 256 HA -0.11 0.04 0.26 -0.75 4.62 4.05 3gzuB1 PHE 256 HB2 0.00 0.27 0.02 -0.04 3.15 3.40 3gzuB1 PHE 256 HB3 -0.05 0.03 -0.07 -0.04 3.06 2.92 3gzuB1 PHE 256 HD2 -0.02 0.13 -0.19 -0.04 7.28 7.16 3gzuB1 PHE 256 HE2 -0.21 0.00 -0.11 -0.04 7.38 7.02 3gzuB1 PHE 256 HZ -0.32 -0.05 -0.09 -0.04 7.32 6.81 3gzuB1 LEU 257 H 0.11 1.21 0.03 -0.55 8.37 9.18 3gzuB1 LEU 257 HA 0.03 0.07 0.64 -0.75 4.35 4.34 3gzuB1 LEU 257 HB2 0.04 -0.00 0.21 -0.04 1.64 1.85 3gzuB1 LEU 257 HB3 0.04 -0.05 0.10 -0.04 1.64 1.69 3gzuB1 LEU 257 HG 0.07 0.35 0.11 -0.04 1.64 2.13 3gzuB1 LEU 257 HD13 0.07 0.04 0.01 -0.04 0.93 1.00 3gzuB1 LEU 257 HD23 0.05 -0.03 -0.07 -0.04 0.89 0.80 3gzuB1 GLN 258 H -0.01 0.27 -0.07 -0.55 8.47 8.12 3gzuB1 GLN 258 HA -0.00 0.04 0.46 -0.75 4.36 4.10 3gzuB1 GLN 258 HB2 0.06 0.05 0.06 -0.04 2.15 2.27 3gzuB1 GLN 258 HB3 0.07 -0.08 0.15 -0.04 2.02 2.12 3gzuB1 GLN 258 HG2 0.05 0.09 -0.11 -0.04 2.40 2.39 3gzuB1 GLN 258 HG3 0.08 -0.07 -0.02 -0.04 2.39 2.34 3gzuB1 GLN 258 HE21 0.05 -0.03 -0.03 -0.04 6.97 6.93 3gzuB1 GLN 258 HE22 0.06 -0.04 -0.01 -0.04 7.69 7.65 3gzuB1 HIS 259 H -0.15 0.33 -0.88 -0.55 8.41 7.17 3gzuB1 HIS 259 HA -0.20 0.04 0.84 -0.75 4.63 4.55 3gzuB1 HIS 259 HB2 -1.08 0.04 -0.13 -0.04 3.26 2.05 3gzuB1 HIS 259 HB3 -0.52 0.11 0.14 -0.04 3.20 2.88 3gzuB1 HIS 259 HD2 -0.13 0.11 0.03 -0.04 6.97 6.94 3gzuB1 HIS 259 HE1 -0.03 -0.12 0.01 -0.04 7.75 7.57 3gzuB1 GLN 260 H -0.10 0.18 -0.11 -0.55 8.47 7.89 3gzuB1 GLN 260 HA -0.07 0.43 0.55 -0.75 4.36 4.51 3gzuB1 GLN 260 HB2 -0.04 -0.09 0.18 -0.04 2.15 2.16 3gzuB1 GLN 260 HB3 -0.05 -0.05 0.30 -0.04 2.02 2.17 3gzuB1 GLN 260 HG2 -0.02 -0.06 0.20 -0.04 2.40 2.48 3gzuB1 GLN 260 HG3 -0.03 0.25 0.22 -0.04 2.39 2.79 3gzuB1 GLN 260 HE21 0.04 -0.21 0.13 -0.04 6.97 6.88 3gzuB1 GLN 260 HE22 0.02 0.39 0.27 -0.04 7.69 8.33 3gzuB1 LEU 261 H -0.29 -0.06 -0.89 -0.55 8.37 6.58 3gzuB1 LEU 261 HA -0.21 -0.14 0.24 -0.75 4.35 3.49 3gzuB1 LEU 261 HB2 -0.21 0.01 0.08 -0.04 1.64 1.47 3gzuB1 LEU 261 HB3 -0.09 0.21 -0.01 -0.04 1.64 1.71 3gzuB1 LEU 261 HG -0.05 -0.08 0.27 -0.04 1.64 1.74 3gzuB1 LEU 261 HD13 -0.10 -0.04 0.05 -0.04 0.93 0.80 3gzuB1 LEU 261 HD23 -0.03 0.01 0.06 -0.04 0.89 0.89 3gzuB1 VAL 262 H -0.08 -0.01 -0.54 -0.55 8.24 7.06 3gzuB1 VAL 262 HA -0.08 0.24 1.28 -0.75 4.13 4.82 3gzuB1 VAL 262 HB 0.02 -0.11 0.16 -0.04 2.12 2.14 3gzuB1 VAL 262 HG13 0.08 0.02 -0.11 -0.04 0.97 0.92 3gzuB1 VAL 262 HG23 0.03 0.12 -0.08 -0.04 0.95 0.97 3gzuB1 GLU 263 H -0.32 0.17 0.18 -0.55 8.60 8.07 3gzuB1 GLU 263 HA -0.16 0.09 0.63 -0.75 4.29 4.10 3gzuB1 GLU 263 HB2 -0.65 -0.01 0.08 -0.04 2.09 1.47 3gzuB1 GLU 263 HB3 -0.25 -0.04 0.07 -0.04 1.99 1.72 3gzuB1 GLU 263 HG2 -0.11 -0.00 -0.03 -0.04 2.34 2.16 3gzuB1 GLU 263 HG3 -0.15 -0.02 -0.14 -0.04 2.34 1.98 3gzuB1 PRO 264 HA -0.12 0.38 0.47 -0.51 4.44 4.66 3gzuB1 PRO 264 HB2 -0.08 -0.13 0.07 -0.04 2.28 2.10 3gzuB1 PRO 264 HB3 -0.09 0.05 0.15 -0.04 2.02 2.09 3gzuB1 PRO 264 HG2 -0.07 -0.04 0.09 -0.04 2.03 1.97 3gzuB1 PRO 264 HG3 -0.09 0.14 0.12 -0.04 2.03 2.16 3gzuB1 PRO 264 HD2 -0.12 0.02 0.15 -0.04 3.68 3.69 3gzuB1 PRO 264 HD3 -0.11 0.18 0.26 -0.04 3.65 3.94 3gzuB1 LEU 265 H -0.08 0.09 -0.06 -0.55 8.37 7.78 3gzuB1 LEU 265 HA 0.02 -0.07 0.26 -0.75 4.35 3.80 3gzuB1 LEU 265 HB2 -0.02 0.47 -0.19 -0.04 1.64 1.86 3gzuB1 LEU 265 HB3 -0.13 -0.06 -0.25 -0.04 1.64 1.16 3gzuB1 LEU 265 HG -0.21 -0.08 -0.29 -0.04 1.64 1.01 3gzuB1 LEU 265 HD13 0.04 -0.03 -0.09 -0.04 0.93 0.81 3gzuB1 LEU 265 HD23 -0.19 0.00 -0.16 -0.04 0.89 0.50 3gzuB1 ASN 266 H -0.01 0.14 0.10 -0.55 8.53 8.21 3gzuB1 ASN 266 HA -0.07 0.31 0.94 -0.75 4.76 5.20 3gzuB1 ASN 266 HB2 -0.02 -0.12 0.02 -0.04 2.88 2.72 3gzuB1 ASN 266 HB3 -0.04 -0.01 0.08 -0.04 2.79 2.77 3gzuB1 ASN 266 HD21 -0.03 0.08 -0.05 -0.04 7.03 6.99 3gzuB1 ASN 266 HD22 -0.01 -0.03 -0.04 -0.04 7.74 7.63 3gzuB1 ASN 267 H -0.06 0.24 0.12 -0.55 8.53 8.28 3gzuB1 ASN 267 HA -0.05 0.13 0.31 -0.75 4.76 4.40 3gzuB1 ASN 267 HB2 -0.09 -0.07 0.11 -0.04 2.88 2.79 3gzuB1 ASN 267 HB3 -0.09 0.06 0.01 -0.04 2.79 2.73 3gzuB1 ASN 267 HD21 -0.04 0.01 0.06 -0.04 7.03 7.02 3gzuB1 ASN 267 HD22 -0.06 -0.03 0.07 -0.04 7.74 7.67 3gzuB1 ASP 268 H -0.05 0.05 -0.35 -0.55 8.40 7.50 3gzuB1 ASP 268 HA -0.01 0.07 0.27 -0.75 4.63 4.20 3gzuB1 ASP 268 HB2 -0.01 -0.05 -0.02 -0.04 2.71 2.59 3gzuB1 ASP 268 HB3 0.02 0.07 -0.06 -0.04 2.70 2.69 3gzuB1 ILE 269 H 0.01 0.37 -0.17 -0.55 8.25 7.91 3gzuB1 ILE 269 HA 0.07 0.09 0.50 -0.75 4.18 4.09 3gzuB1 ILE 269 HB 0.04 0.01 0.07 -0.04 1.89 1.97 3gzuB1 ILE 269 HG12 0.06 0.05 -0.04 -0.04 1.49 1.53 3gzuB1 ILE 269 HG13 0.03 -0.14 0.06 -0.04 1.21 1.12 3gzuB1 ILE 269 HG23 0.15 0.03 -0.14 -0.04 0.93 0.93 3gzuB1 ILE 269 HD13 0.09 0.01 -0.10 -0.04 0.88 0.84 3gzuB1 ILE 270 H -0.01 0.32 -0.08 -0.55 8.25 7.93 3gzuB1 ILE 270 HA -0.07 0.02 0.35 -0.75 4.18 3.73 3gzuB1 ILE 270 HB 0.06 0.08 0.05 -0.04 1.89 2.04 3gzuB1 ILE 270 HG12 -0.23 -0.02 -0.07 -0.04 1.49 1.13 3gzuB1 ILE 270 HG13 -0.10 0.05 -0.03 -0.04 1.21 1.10 3gzuB1 ILE 270 HG23 -0.01 -0.01 -0.11 -0.04 0.93 0.76 3gzuB1 ILE 270 HD13 -0.24 -0.01 -0.11 -0.04 0.88 0.48 3gzuB1 PHE 271 H 0.21 0.46 -0.18 -0.55 8.34 8.28 3gzuB1 PHE 271 HA 0.02 0.01 0.27 -0.75 4.62 4.17 3gzuB1 PHE 271 HB2 0.00 -0.02 0.00 -0.04 3.15 3.10 3gzuB1 PHE 271 HB3 0.01 0.08 -0.02 -0.04 3.06 3.09 3gzuB1 PHE 271 HD2 0.02 0.01 -0.09 -0.04 7.28 7.17 3gzuB1 PHE 271 HE2 0.02 -0.02 -0.10 -0.04 7.38 7.24 3gzuB1 PHE 271 HZ 0.02 0.02 -0.08 -0.04 7.32 7.23 3gzuB1 ASN 272 H 0.16 0.41 -0.28 -0.55 8.53 8.27 3gzuB1 ASN 272 HA 0.05 0.08 0.45 -0.75 4.76 4.58 3gzuB1 ASN 272 HB2 0.10 0.07 0.23 -0.04 2.88 3.23 3gzuB1 ASN 272 HB3 0.07 -0.03 -0.04 -0.04 2.79 2.75 3gzuB1 ASN 272 HD21 0.07 -0.09 -0.03 -0.04 7.03 6.94 3gzuB1 ASN 272 HD22 0.08 0.07 -0.07 -0.04 7.74 7.78 3gzuB1 TYR 273 H 0.15 0.46 -0.19 -0.55 8.29 8.16 3gzuB1 TYR 273 HA 0.00 -0.03 0.31 -0.75 4.56 4.09 3gzuB1 TYR 273 HB2 -0.03 -0.01 0.13 -0.04 3.06 3.10 3gzuB1 TYR 273 HB3 -0.03 0.08 -0.12 -0.04 2.98 2.87 3gzuB1 TYR 273 HD2 -0.01 -0.00 -0.01 -0.04 7.15 7.09 3gzuB1 TYR 273 HE2 0.08 -0.01 0.02 -0.04 6.85 6.89 3gzuB1 ILE 274 H -0.01 0.08 -1.35 -0.55 8.25 6.42 3gzuB1 ILE 274 HA -0.31 0.13 0.82 -0.75 4.18 4.06 3gzuB1 ILE 274 HB -0.20 0.42 0.13 -0.04 1.89 2.20 3gzuB1 ILE 274 HG12 -0.25 -0.05 -0.04 -0.04 1.49 1.11 3gzuB1 ILE 274 HG13 -0.07 0.07 -0.14 -0.04 1.21 1.03 3gzuB1 ILE 274 HG23 -0.27 -0.02 -0.27 -0.04 0.93 0.33 3gzuB1 ILE 274 HD13 -0.22 -0.04 -0.05 -0.04 0.88 0.53 3gzuB1 PRO 275 HA -0.12 0.07 0.41 -0.51 4.44 4.29 3gzuB1 PRO 275 HB2 -0.22 -0.22 0.14 -0.04 2.28 1.95 3gzuB1 PRO 275 HB3 -0.14 0.09 0.08 -0.04 2.02 2.00 3gzuB1 PRO 275 HG2 -0.33 0.03 -0.03 -0.04 2.03 1.66 3gzuB1 PRO 275 HG3 -0.23 0.18 0.02 -0.04 2.03 1.96 3gzuB1 PRO 275 HD2 -0.43 0.02 0.17 -0.04 3.68 3.40 3gzuB1 PRO 275 HD3 -0.66 0.30 0.25 -0.04 3.65 3.50 3gzuB1 GLU 276 H -0.08 0.20 0.24 -0.55 8.60 8.42 3gzuB1 GLU 276 HA -0.06 0.12 0.39 -0.75 4.29 3.98 3gzuB1 GLU 276 HB2 -0.03 0.09 0.20 -0.04 2.09 2.30 3gzuB1 GLU 276 HB3 -0.04 -0.09 0.15 -0.04 1.99 1.96 3gzuB1 GLU 276 HG2 -0.02 -0.09 0.02 -0.04 2.34 2.21 3gzuB1 GLU 276 HG3 -0.03 0.03 0.11 -0.04 2.34 2.42 3gzuB1 ARG 277 H -0.11 -0.07 -0.93 -0.55 8.46 6.80 3gzuB1 ARG 277 HA -0.07 0.14 0.65 -0.75 4.34 4.31 3gzuB1 ARG 277 HB2 -0.08 -0.03 0.01 -0.04 1.90 1.76 3gzuB1 ARG 277 HB3 -0.13 -0.03 0.10 -0.04 1.80 1.70 3gzuB1 ARG 277 HG2 -0.14 0.03 -0.45 -0.04 1.67 1.07 3gzuB1 ARG 277 HG3 -0.07 -0.05 -0.11 -0.04 1.67 1.40 3gzuB1 ARG 277 HD2 -0.16 0.05 0.08 -0.04 3.22 3.15 3gzuB1 ARG 277 HD3 -0.16 0.01 -0.01 -0.04 3.22 3.02 3gzuB1 ILE 278 H -0.19 0.10 0.02 -0.55 8.25 7.63 3gzuB1 ILE 278 HA -0.25 0.02 0.31 -0.75 4.18 3.51 3gzuB1 ILE 278 HB -0.25 0.04 -0.01 -0.04 1.89 1.63 3gzuB1 ILE 278 HG12 -0.27 0.00 0.08 -0.04 1.49 1.27 3gzuB1 ILE 278 HG13 -0.23 -0.03 0.14 -0.04 1.21 1.05 3gzuB1 ILE 278 HG23 -0.39 0.01 -0.04 -0.04 0.93 0.46 3gzuB1 ILE 278 HD13 -0.34 0.02 0.01 -0.04 0.88 0.53 3gzuB1 ARG 279 H -0.18 0.27 -0.33 -0.55 8.46 7.67 3gzuB1 ARG 279 HA -0.14 0.03 0.24 -0.75 4.34 3.72 3gzuB1 ARG 279 HB2 -0.10 0.04 -0.10 -0.04 1.90 1.70 3gzuB1 ARG 279 HB3 -0.15 -0.06 -0.03 -0.04 1.80 1.51 3gzuB1 ARG 279 HG2 -0.34 -0.04 -0.05 -0.04 1.67 1.19 3gzuB1 ARG 279 HG3 -0.20 0.19 -0.15 -0.04 1.67 1.46 3gzuB1 ARG 279 HD2 -0.22 -0.10 -0.08 -0.04 3.22 2.79 3gzuB1 ARG 279 HD3 -0.53 0.04 -0.07 -0.04 3.22 2.61 3gzuB1 ASN 280 H -0.07 0.56 -0.41 -0.55 8.53 8.07 3gzuB1 ASN 280 HA 0.00 0.05 0.55 -0.75 4.76 4.61 3gzuB1 ASN 280 HB2 -0.02 0.10 0.06 -0.04 2.88 2.98 3gzuB1 ASN 280 HB3 0.01 -0.12 0.17 -0.04 2.79 2.80 3gzuB1 ASN 280 HD21 0.00 -0.04 0.02 -0.04 7.03 6.97 3gzuB1 ASN 280 HD22 0.01 -0.06 0.04 -0.04 7.74 7.69 3gzuB1 ASP 281 H -0.04 1.06 -0.26 -0.55 8.40 8.61 3gzuB1 ASP 281 HA 0.05 0.04 0.74 -0.75 4.63 4.71 3gzuB1 ASP 281 HB2 -0.10 -0.02 0.02 -0.04 2.71 2.56 3gzuB1 ASP 281 HB3 -0.10 0.04 0.20 -0.04 2.70 2.79 3gzuB1 VAL 282 H 0.06 0.29 -0.06 -0.55 8.24 7.98 3gzuB1 VAL 282 HA 0.06 0.09 0.27 -0.75 4.13 3.80 3gzuB1 VAL 282 HB 0.04 0.03 0.09 -0.04 2.12 2.24 3gzuB1 VAL 282 HG13 0.04 -0.11 0.03 -0.04 0.97 0.89 3gzuB1 VAL 282 HG23 0.03 0.00 -0.16 -0.04 0.95 0.79 3gzuB1 ASN 283 H 0.10 0.04 -0.15 -0.55 8.53 7.97 3gzuB1 ASN 283 HA 0.04 -0.03 0.27 -0.75 4.76 4.28 3gzuB1 ASN 283 HB2 0.38 0.05 -0.04 -0.04 2.88 3.23 3gzuB1 ASN 283 HB3 0.03 -0.02 0.05 -0.04 2.79 2.80 3gzuB1 ASN 283 HD21 -0.09 -0.17 0.16 -0.04 7.03 6.89 3gzuB1 ASN 283 HD22 0.09 0.07 0.02 -0.04 7.74 7.88 3gzuB1 TYR 284 H 0.33 0.72 -0.63 -0.55 8.29 8.16 3gzuB1 TYR 284 HA 0.03 0.04 1.10 -0.75 4.56 4.98 3gzuB1 TYR 284 HB2 0.01 0.18 0.08 -0.04 3.06 3.28 3gzuB1 TYR 284 HB3 0.01 -0.03 -0.07 -0.04 2.98 2.86 3gzuB1 TYR 284 HD2 0.05 -0.05 -0.12 -0.04 7.15 6.99 3gzuB1 TYR 284 HE2 0.14 -0.03 -0.07 -0.04 6.85 6.84 3gzuB1 ILE 285 H 0.05 0.23 0.17 -0.55 8.25 8.15 3gzuB1 ILE 285 HA 0.07 0.17 0.69 -0.75 4.18 4.35 3gzuB1 ILE 285 HB 0.04 -0.14 0.01 -0.04 1.89 1.76 3gzuB1 ILE 285 HG12 0.04 0.05 -0.05 -0.04 1.49 1.49 3gzuB1 ILE 285 HG13 0.02 0.06 -0.18 -0.04 1.21 1.07 3gzuB1 ILE 285 HG23 0.06 -0.00 -0.26 -0.04 0.93 0.68 3gzuB1 ILE 285 HD13 0.02 -0.03 -0.11 -0.04 0.88 0.72 3gzuB1 LEU 286 H 0.08 0.19 0.23 -0.55 8.37 8.33 3gzuB1 LEU 286 HA 0.10 0.28 1.07 -0.75 4.35 5.05 3gzuB1 LEU 286 HB2 0.09 -0.00 0.09 -0.04 1.64 1.78 3gzuB1 LEU 286 HB3 0.15 -0.05 -0.04 -0.04 1.64 1.67 3gzuB1 LEU 286 HG -0.23 -0.04 -0.07 -0.04 1.64 1.27 3gzuB1 LEU 286 HD13 0.04 0.09 -0.13 -0.04 0.93 0.89 3gzuB1 LEU 286 HD23 -0.02 0.01 -0.21 -0.04 0.89 0.64 3gzuB1 ASN 287 H 0.16 0.41 0.29 -0.55 8.53 8.84 3gzuB1 ASN 287 HA 0.14 0.01 0.53 -0.75 4.76 4.69 3gzuB1 ASN 287 HB2 0.08 0.01 -0.23 -0.04 2.88 2.70 3gzuB1 ASN 287 HB3 0.07 0.03 -0.04 -0.04 2.79 2.81 3gzuB1 ASN 287 HD21 0.05 -0.04 -0.02 -0.04 7.03 6.97 3gzuB1 ASN 287 HD22 0.05 -0.06 -0.13 -0.04 7.74 7.56 3gzuB1 MET 288 H 0.07 0.16 0.20 -0.55 8.47 8.35 3gzuB1 MET 288 HA 0.11 0.22 0.96 -0.75 4.52 5.06 3gzuB1 MET 288 HB2 0.00 -0.03 0.11 -0.04 2.15 2.18 3gzuB1 MET 288 HB3 0.03 0.05 0.01 -0.04 2.03 2.08 3gzuB1 MET 288 HG2 0.07 -0.02 -0.15 -0.04 2.63 2.50 3gzuB1 MET 288 HG3 -0.08 -0.06 -0.03 -0.04 2.56 2.35 3gzuB1 MET 288 HE3 0.22 0.04 0.00 -0.04 2.10 2.31 3gzuB1 ASP 289 H 0.08 0.10 0.27 -0.55 8.40 8.31 3gzuB1 ASP 289 HA 0.03 0.18 0.94 -0.75 4.63 5.03 3gzuB1 ASP 289 HB2 0.04 0.06 0.03 -0.04 2.71 2.79 3gzuB1 ASP 289 HB3 0.02 -0.03 -0.03 -0.04 2.70 2.62 3gzuB1 ARG 290 H 0.10 0.07 0.26 -0.55 8.46 8.34 3gzuB1 ARG 290 HA 0.05 0.15 0.93 -0.75 4.34 4.71 3gzuB1 ARG 290 HB2 0.22 0.03 0.12 -0.04 1.90 2.23 3gzuB1 ARG 290 HB3 0.09 0.03 0.13 -0.04 1.80 2.01 3gzuB1 ARG 290 HG2 -0.00 0.03 -0.08 -0.04 1.67 1.57 3gzuB1 ARG 290 HG3 0.01 -0.08 -0.01 -0.04 1.67 1.55 3gzuB1 ARG 290 HD2 -0.31 0.02 0.02 -0.04 3.22 2.91 3gzuB1 ARG 290 HD3 -0.14 0.01 0.00 -0.04 3.22 3.05 3gzuB1 ASN 291 H 0.05 0.09 0.14 -0.55 8.53 8.26 3gzuB1 ASN 291 HA 0.02 0.13 0.64 -0.75 4.76 4.80 3gzuB1 ASN 291 HB2 0.00 -0.09 0.13 -0.04 2.88 2.88 3gzuB1 ASN 291 HB3 0.01 0.03 0.05 -0.04 2.79 2.85 3gzuB1 ASN 291 HD21 0.02 0.01 -0.01 -0.04 7.03 7.01 3gzuB1 ASN 291 HD22 0.01 0.02 0.02 -0.04 7.74 7.74 3gzuB1 LEU 292 H -0.02 0.15 0.10 -0.55 8.37 8.06 3gzuB1 LEU 292 HA -0.04 0.22 0.81 -0.75 4.35 4.60 3gzuB1 LEU 292 HB2 -0.07 -0.18 0.08 -0.04 1.64 1.43 3gzuB1 LEU 292 HB3 -0.12 0.22 0.01 -0.04 1.64 1.71 3gzuB1 LEU 292 HG -0.05 0.02 -0.59 -0.04 1.64 0.98 3gzuB1 LEU 292 HD13 -0.19 -0.04 -0.28 -0.04 0.93 0.38 3gzuB1 LEU 292 HD23 -0.23 0.03 0.07 -0.04 0.89 0.73 3gzuB1 PRO 293 HA -0.03 0.07 0.52 -0.51 4.44 4.49 3gzuB1 PRO 293 HB2 -0.02 -0.03 0.06 -0.04 2.28 2.25 3gzuB1 PRO 293 HB3 -0.01 0.08 0.12 -0.04 2.02 2.17 3gzuB1 PRO 293 HG2 0.05 0.12 0.03 -0.04 2.03 2.19 3gzuB1 PRO 293 HG3 0.02 0.02 0.02 -0.04 2.03 2.04 3gzuB1 PRO 293 HD2 -0.05 0.16 0.18 -0.04 3.68 3.93 3gzuB1 PRO 293 HD3 0.01 0.17 0.07 -0.04 3.65 3.86 3gzuB1 SER 294 H -0.05 0.15 0.18 -0.55 8.46 8.19 3gzuB1 SER 294 HA -0.08 0.12 0.51 -0.75 4.49 4.29 3gzuB1 SER 294 HB2 -0.08 0.04 0.21 -0.04 3.95 4.08 3gzuB1 SER 294 HB3 -0.06 -0.05 0.17 -0.04 3.93 3.96 3gzuB1 THR 295 H -0.08 -0.24 -1.30 -0.55 8.28 6.12 3gzuB1 THR 295 HA -0.21 0.22 0.62 -0.75 4.39 4.26 3gzuB1 THR 295 HB -0.00 -0.04 -0.16 -0.04 4.32 4.08 3gzuB1 THR 295 HG23 -0.05 0.07 -0.01 -0.04 1.22 1.19 3gzuB1 ALA 296 H -0.11 0.33 -0.13 -0.55 8.40 7.94 3gzuB1 ALA 296 HA -0.15 0.01 0.35 -0.75 4.34 3.80 3gzuB1 ALA 296 HB3 -0.19 -0.04 0.02 -0.04 1.41 1.16 3gzuB1 ARG 297 H 0.04 0.15 0.24 -0.55 8.46 8.34 3gzuB1 ARG 297 HA -0.03 0.29 0.76 -0.75 4.34 4.60 3gzuB1 ARG 297 HB2 0.25 0.00 0.06 -0.04 1.90 2.18 3gzuB1 ARG 297 HB3 0.19 0.02 -0.00 -0.04 1.80 1.96 3gzuB1 ARG 297 HG2 -0.10 0.19 -0.91 -0.04 1.67 0.80 3gzuB1 ARG 297 HG3 0.22 -0.13 -0.13 -0.04 1.67 1.60 3gzuB1 ARG 297 HD2 0.14 -0.03 -0.15 -0.04 3.22 3.14 3gzuB1 ARG 297 HD3 -0.07 0.07 0.11 -0.04 3.22 3.28 3gzuB1 TYR 298 H -0.14 0.60 0.34 -0.55 8.29 8.54 3gzuB1 TYR 298 HA 0.06 0.19 0.95 -0.75 4.56 5.01 3gzuB1 TYR 298 HB2 -0.02 0.01 0.13 -0.04 3.06 3.14 3gzuB1 TYR 298 HB3 -0.05 -0.08 -0.11 -0.04 2.98 2.70 3gzuB1 TYR 298 HD2 -0.04 0.02 -0.37 -0.04 7.15 6.72 3gzuB1 TYR 298 HE2 -0.00 -0.12 -0.22 -0.04 6.85 6.47 3gzuB1 ILE 299 H 0.35 0.20 0.18 -0.55 8.25 8.43 3gzuB1 ILE 299 HA 0.10 0.25 1.19 -0.75 4.18 4.97 3gzuB1 ILE 299 HB 0.08 0.09 0.05 -0.04 1.89 2.07 3gzuB1 ILE 299 HG12 0.14 -0.06 0.07 -0.04 1.49 1.59 3gzuB1 ILE 299 HG13 0.12 -0.06 0.16 -0.04 1.21 1.39 3gzuB1 ILE 299 HG23 0.07 0.08 0.01 -0.04 0.93 1.05 3gzuB1 ILE 299 HD13 0.05 0.01 -0.01 -0.04 0.88 0.89 3gzuB1 ARG 300 H 0.13 0.17 0.16 -0.55 8.46 8.36 3gzuB1 ARG 300 HA 0.43 0.01 0.35 -0.75 4.34 4.39 3gzuB1 ARG 300 HB2 0.08 0.03 0.16 -0.04 1.90 2.12 3gzuB1 ARG 300 HB3 0.07 0.03 0.03 -0.04 1.80 1.89 3gzuB1 ARG 300 HG2 0.09 -0.16 0.06 -0.04 1.67 1.62 3gzuB1 ARG 300 HG3 0.17 0.01 0.07 -0.04 1.67 1.88 3gzuB1 ARG 300 HD2 0.03 0.02 0.02 -0.04 3.22 3.25 3gzuB1 ARG 300 HD3 0.03 0.00 0.01 -0.04 3.22 3.22 3gzuB1 PRO 301 HA 0.04 0.17 0.59 -0.51 4.44 4.72 3gzuB1 PRO 301 HB2 -0.01 -0.05 -0.03 -0.04 2.28 2.14 3gzuB1 PRO 301 HB3 0.02 0.05 0.06 -0.04 2.02 2.11 3gzuB1 PRO 301 HG2 0.17 0.03 0.05 -0.04 2.03 2.24 3gzuB1 PRO 301 HG3 0.07 0.10 0.05 -0.04 2.03 2.21 3gzuB1 PRO 301 HD2 0.09 -0.01 0.21 -0.04 3.68 3.93 3gzuB1 PRO 301 HD3 0.13 0.09 0.17 -0.04 3.65 4.00 3gzuB1 ASN 302 H 0.03 0.00 -0.09 -0.55 8.53 7.93 3gzuB1 ASN 302 HA 0.01 -0.11 0.33 -0.75 4.76 4.24 3gzuB1 ASN 302 HB2 0.02 -0.02 -0.14 -0.04 2.88 2.71 3gzuB1 ASN 302 HB3 0.01 0.36 0.03 -0.04 2.79 3.15 3gzuB1 ASN 302 HD21 0.01 -0.04 -0.05 -0.04 7.03 6.91 3gzuB1 ASN 302 HD22 0.02 -0.04 -0.00 -0.04 7.74 7.67 3gzuB1 LEU 303 H -0.02 0.05 -0.01 -0.55 8.37 7.84 3gzuB1 LEU 303 HA -0.01 0.32 0.95 -0.75 4.35 4.85 3gzuB1 LEU 303 HB2 -0.16 -0.04 0.08 -0.04 1.64 1.48 3gzuB1 LEU 303 HB3 -0.48 0.06 0.11 -0.04 1.64 1.29 3gzuB1 LEU 303 HG -0.13 -0.19 -0.40 -0.04 1.64 0.89 3gzuB1 LEU 303 HD13 -0.31 0.01 -0.05 -0.04 0.93 0.53 3gzuB1 LEU 303 HD23 -0.27 0.12 -0.20 -0.04 0.89 0.50 3gzuB1 LEU 304 H 0.05 0.07 -0.18 -0.55 8.37 7.76 3gzuB1 LEU 304 HA 0.04 -0.02 0.35 -0.75 4.35 3.98 3gzuB1 LEU 304 HB2 0.05 0.09 -0.09 -0.04 1.64 1.65 3gzuB1 LEU 304 HB3 0.04 -0.04 0.10 -0.04 1.64 1.70 3gzuB1 LEU 304 HG 0.03 0.03 -0.03 -0.04 1.64 1.62 3gzuB1 LEU 304 HD13 0.00 0.01 -0.02 -0.04 0.93 0.88 3gzuB1 LEU 304 HD23 0.02 -0.02 -0.01 -0.04 0.89 0.84 3gzuB1 GLN 305 H 0.07 0.01 0.17 -0.55 8.47 8.18 3gzuB1 GLN 305 HA 0.19 0.32 0.84 -0.75 4.36 4.96 3gzuB1 GLN 305 HB2 0.08 -0.08 0.14 -0.04 2.15 2.25 3gzuB1 GLN 305 HB3 0.11 -0.10 0.16 -0.04 2.02 2.14 3gzuB1 GLN 305 HG2 0.06 -0.02 0.06 -0.04 2.40 2.45 3gzuB1 GLN 305 HG3 0.06 -0.02 0.11 -0.04 2.39 2.50 3gzuB1 GLN 305 HE21 0.24 0.07 -0.08 -0.04 6.97 7.15 3gzuB1 GLN 305 HE22 0.20 0.02 -0.71 -0.04 7.69 7.16 3gzuB1 ASP 306 H 0.15 0.14 0.16 -0.55 8.40 8.31 3gzuB1 ASP 306 HA 0.20 0.10 0.43 -0.75 4.63 4.60 3gzuB1 ASP 306 HB2 0.18 -0.07 -0.09 -0.04 2.71 2.70 3gzuB1 ASP 306 HB3 0.31 0.12 -0.14 -0.04 2.70 2.95 3gzuB1 ARG 307 H 0.10 0.04 -0.15 -0.55 8.46 7.90 3gzuB1 ARG 307 HA 0.05 -0.04 0.38 -0.75 4.34 3.97 3gzuB1 ARG 307 HB2 -0.01 0.23 0.04 -0.04 1.90 2.12 3gzuB1 ARG 307 HB3 -0.02 -0.05 0.05 -0.04 1.80 1.74 3gzuB1 ARG 307 HG2 0.04 0.05 0.04 -0.04 1.67 1.75 3gzuB1 ARG 307 HG3 0.01 0.02 -0.27 -0.04 1.67 1.39 3gzuB1 ARG 307 HD2 -0.02 -0.02 0.01 -0.04 3.22 3.15 3gzuB1 ARG 307 HD3 -0.00 -0.09 -0.02 -0.04 3.22 3.07 3gzuB1 LEU 308 H 0.15 0.98 -1.30 -0.55 8.37 7.65 3gzuB1 LEU 308 HA 0.05 0.15 0.88 -0.75 4.35 4.67 3gzuB1 LEU 308 HB2 0.17 0.12 0.11 -0.04 1.64 2.00 3gzuB1 LEU 308 HB3 -0.01 -0.09 -0.11 -0.04 1.64 1.38 3gzuB1 LEU 308 HG -0.03 0.03 -0.34 -0.04 1.64 1.26 3gzuB1 LEU 308 HD13 -0.07 -0.00 -0.05 -0.04 0.93 0.76 3gzuB1 LEU 308 HD23 -0.03 0.02 -0.03 -0.04 0.89 0.81 3gzuB1 ASN 309 H 0.11 0.28 -0.02 -0.55 8.53 8.36 3gzuB1 ASN 309 HA 0.47 0.06 0.64 -0.75 4.76 5.17 3gzuB1 ASN 309 HB2 0.19 0.05 0.17 -0.04 2.88 3.24 3gzuB1 ASN 309 HB3 0.33 -0.02 0.04 -0.04 2.79 3.10 3gzuB1 ASN 309 HD21 0.08 0.06 -0.06 -0.04 7.03 7.07 3gzuB1 ASN 309 HD22 0.10 0.02 0.01 -0.04 7.74 7.83 3gzuB1 LEU 310 H -0.24 0.40 0.16 -0.55 8.37 8.14 3gzuB1 LEU 310 HA 0.11 0.09 0.58 -0.75 4.35 4.38 3gzuB1 LEU 310 HB2 0.21 0.06 -0.05 -0.04 1.64 1.82 3gzuB1 LEU 310 HB3 -0.07 -0.01 0.07 -0.04 1.64 1.59 3gzuB1 LEU 310 HG -0.16 0.11 0.12 -0.04 1.64 1.67 3gzuB1 LEU 310 HD13 -0.19 0.02 0.00 -0.04 0.93 0.72 3gzuB1 LEU 310 HD23 -0.16 -0.02 -0.33 -0.04 0.89 0.34 3gzuB1 HIS 311 H -0.25 0.05 -0.11 -0.55 8.41 7.56 3gzuB1 HIS 311 HA -0.35 0.13 0.29 -0.75 4.63 3.94 3gzuB1 HIS 311 HB2 -0.01 0.04 -0.12 -0.04 3.26 3.13 3gzuB1 HIS 311 HB3 -0.20 0.11 0.05 -0.04 3.20 3.12 3gzuB1 HIS 311 HD2 0.43 0.09 0.04 -0.04 6.97 7.48 3gzuB1 HIS 311 HE1 0.15 0.08 0.03 -0.04 7.75 7.96 3gzuB1 ASP 312 H 0.22 0.10 -0.69 -0.55 8.40 7.49 3gzuB1 ASP 312 HA 0.03 0.31 1.02 -0.75 4.63 5.24 3gzuB1 ASP 312 HB2 0.05 0.02 0.13 -0.04 2.71 2.87 3gzuB1 ASP 312 HB3 0.09 -0.02 -0.15 -0.04 2.70 2.59 3gzuB1 ASN 313 H 0.21 0.23 -0.17 -0.55 8.53 8.25 3gzuB1 ASN 313 HA -0.03 0.10 0.38 -0.75 4.76 4.46 3gzuB1 ASN 313 HB2 -0.01 0.20 -0.16 -0.04 2.88 2.88 3gzuB1 ASN 313 HB3 -0.17 -0.02 -0.07 -0.04 2.79 2.50 3gzuB1 ASN 313 HD21 -0.16 -0.04 0.06 -0.04 7.03 6.85 3gzuB1 ASN 313 HD22 -0.11 0.02 0.21 -0.04 7.74 7.82 3gzuB1 PHE 314 H 0.69 0.24 0.13 -0.55 8.34 8.85 3gzuB1 PHE 314 HA 0.05 0.13 0.63 -0.75 4.62 4.68 3gzuB1 PHE 314 HB2 0.13 0.05 0.23 -0.04 3.15 3.52 3gzuB1 PHE 314 HB3 0.04 -0.04 0.13 -0.04 3.06 3.15 3gzuB1 PHE 314 HD2 0.05 -0.05 0.07 -0.04 7.28 7.31 3gzuB1 PHE 314 HE2 0.05 0.09 -0.08 -0.04 7.38 7.39 3gzuB1 PHE 314 HZ 0.04 0.09 -0.24 -0.04 7.32 7.17 3gzuB1 GLU 315 H 0.05 0.59 -0.17 -0.55 8.60 8.53 3gzuB1 GLU 315 HA 0.17 0.07 0.30 -0.75 4.29 4.07 3gzuB1 GLU 315 HB2 0.02 -0.03 0.18 -0.04 2.09 2.22 3gzuB1 GLU 315 HB3 0.04 0.02 0.03 -0.04 1.99 2.03 3gzuB1 GLU 315 HG2 -0.01 0.04 -0.06 -0.04 2.34 2.28 3gzuB1 GLU 315 HG3 0.01 0.05 -0.06 -0.04 2.34 2.29 3gzuB1 SER 316 H 0.05 0.14 -0.01 -0.55 8.46 8.09 3gzuB1 SER 316 HA 0.05 0.07 0.40 -0.75 4.49 4.26 3gzuB1 SER 316 HB2 0.02 -0.01 0.02 -0.04 3.95 3.94 3gzuB1 SER 316 HB3 0.01 0.67 0.33 -0.04 3.93 4.89 3gzuB1 LEU 317 H 0.14 0.14 -0.43 -0.55 8.37 7.68 3gzuB1 LEU 317 HA 0.01 0.08 0.48 -0.75 4.35 4.17 3gzuB1 LEU 317 HB2 0.07 0.08 0.05 -0.04 1.64 1.80 3gzuB1 LEU 317 HB3 -0.15 0.02 0.03 -0.04 1.64 1.51 3gzuB1 LEU 317 HG 0.10 -0.10 -0.01 -0.04 1.64 1.60 3gzuB1 LEU 317 HD13 0.00 -0.00 -0.05 -0.04 0.93 0.84 3gzuB1 LEU 317 HD23 -0.21 0.01 -0.19 -0.04 0.89 0.45 3gzuB1 TRP 318 H 0.34 0.52 0.08 -0.55 7.97 8.36 3gzuB1 TRP 318 HA 0.04 0.05 0.46 -0.75 4.62 4.41 3gzuB1 TRP 318 HB2 0.04 0.08 0.16 -0.04 3.23 3.48 3gzuB1 TRP 318 HB3 0.02 -0.01 -0.04 -0.04 3.23 3.16 3gzuB1 TRP 318 HD1 0.02 0.08 -0.21 -0.04 7.22 7.06 3gzuB1 TRP 318 HE1 -0.31 -0.22 -0.28 -0.04 10.20 9.35 3gzuB1 TRP 318 HE3 0.01 -0.05 -0.04 -0.04 7.59 7.48 3gzuB1 TRP 318 HZ2 0.17 -0.13 0.00 -0.04 7.44 7.44 3gzuB1 TRP 318 HZ3 0.02 0.27 0.06 -0.04 7.13 7.43 3gzuB1 TRP 318 HH2 0.09 0.04 0.03 -0.04 7.19 7.31 3gzuB1 ASP 319 H 0.24 0.51 -0.03 -0.55 8.40 8.57 3gzuB1 ASP 319 HA 0.14 -0.02 0.44 -0.75 4.63 4.43 3gzuB1 ASP 319 HB2 0.10 -0.02 0.11 -0.04 2.71 2.85 3gzuB1 ASP 319 HB3 0.08 0.22 0.07 -0.04 2.70 3.02 3gzuB1 THR 320 H 0.10 0.28 -0.44 -0.55 8.28 7.67 3gzuB1 THR 320 HA 0.09 -0.02 0.32 -0.75 4.39 4.03 3gzuB1 THR 320 HB 0.25 0.14 0.01 -0.04 4.32 4.68 3gzuB1 THR 320 HG23 0.26 0.01 -0.11 -0.04 1.22 1.33 3gzuB1 ILE 321 H -0.03 0.37 -0.18 -0.55 8.25 7.87 3gzuB1 ILE 321 HA -0.13 0.02 0.55 -0.75 4.18 3.87 3gzuB1 ILE 321 HB -0.54 0.04 0.26 -0.04 1.89 1.60 3gzuB1 ILE 321 HG12 -0.19 -0.04 0.02 -0.04 1.49 1.24 3gzuB1 ILE 321 HG13 -0.03 0.11 0.07 -0.04 1.21 1.33 3gzuB1 ILE 321 HG23 -0.42 -0.01 -0.07 -0.04 0.93 0.40 3gzuB1 ILE 321 HD13 -0.62 -0.09 -0.13 -0.04 0.88 0.00 3gzuB1 THR 322 H -0.03 0.76 0.12 -0.55 8.28 8.59 3gzuB1 THR 322 HA 0.04 0.17 0.33 -0.75 4.39 4.18 3gzuB1 THR 322 HB 0.08 -0.10 0.15 -0.04 4.32 4.41 3gzuB1 THR 322 HG23 0.10 0.06 -0.12 -0.04 1.22 1.22 3gzuB1 THR 323 H 0.05 0.59 -0.09 -0.55 8.28 8.28 3gzuB1 THR 323 HA 0.10 -0.08 0.31 -0.75 4.39 3.96 3gzuB1 THR 323 HB 0.05 0.08 0.14 -0.04 4.32 4.54 3gzuB1 THR 323 HG23 0.08 -0.03 -0.02 -0.04 1.22 1.21 3gzuB1 SER 324 H -0.01 0.46 -0.19 -0.55 8.46 8.18 3gzuB1 SER 324 HA -0.05 -0.13 0.36 -0.75 4.49 3.91 3gzuB1 SER 324 HB2 -0.11 0.09 0.25 -0.04 3.95 4.14 3gzuB1 SER 324 HB3 -0.16 0.11 0.34 -0.04 3.93 4.17 3gzuB1 ASN 325 H -0.11 0.66 0.12 -0.55 8.53 8.65 3gzuB1 ASN 325 HA -0.09 -0.08 0.34 -0.75 4.76 4.17 3gzuB1 ASN 325 HB2 -0.03 0.16 0.09 -0.04 2.88 3.06 3gzuB1 ASN 325 HB3 0.02 -0.06 -0.01 -0.04 2.79 2.70 3gzuB1 ASN 325 HD21 -0.08 -0.04 0.02 -0.04 7.03 6.89 3gzuB1 ASN 325 HD22 -0.00 0.02 -0.03 -0.04 7.74 7.69 3gzuB1 TYR 326 H 0.13 0.90 -0.48 -0.55 8.29 8.29 3gzuB1 TYR 326 HA -0.01 -0.10 0.37 -0.75 4.56 4.07 3gzuB1 TYR 326 HB2 -0.01 -0.00 -0.09 -0.04 3.06 2.91 3gzuB1 TYR 326 HB3 -0.02 0.35 0.25 -0.04 2.98 3.52 3gzuB1 TYR 326 HD2 -0.02 -0.01 -0.14 -0.04 7.15 6.94 3gzuB1 TYR 326 HE2 -0.03 0.01 -0.04 -0.04 6.85 6.74 3gzuB1 ILE 327 H 0.01 0.62 0.20 -0.55 8.25 8.53 3gzuB1 ILE 327 HA -0.34 -0.12 0.33 -0.75 4.18 3.29 3gzuB1 ILE 327 HB -0.06 0.14 0.13 -0.04 1.89 2.05 3gzuB1 ILE 327 HG12 -0.05 -0.11 0.02 -0.04 1.49 1.30 3gzuB1 ILE 327 HG13 0.05 0.19 0.05 -0.04 1.21 1.46 3gzuB1 ILE 327 HG23 -0.08 -0.05 -0.13 -0.04 0.93 0.63 3gzuB1 ILE 327 HD13 0.01 -0.05 -0.15 -0.04 0.88 0.64 3gzuB1 LEU 328 H -0.07 0.62 -0.24 -0.55 8.37 8.12 3gzuB1 LEU 328 HA -0.02 -0.08 0.32 -0.75 4.35 3.81 3gzuB1 LEU 328 HB2 -0.07 -0.04 0.01 -0.04 1.64 1.50 3gzuB1 LEU 328 HB3 0.01 0.41 0.14 -0.04 1.64 2.17 3gzuB1 LEU 328 HG 0.32 -0.01 -0.19 -0.04 1.64 1.73 3gzuB1 LEU 328 HD13 0.01 -0.02 0.03 -0.04 0.93 0.91 3gzuB1 LEU 328 HD23 -0.15 0.01 0.03 -0.04 0.89 0.73 3gzuB1 ALA 329 H -0.02 0.58 -0.13 -0.55 8.40 8.28 3gzuB1 ALA 329 HA -0.04 -0.02 0.39 -0.75 4.34 3.92 3gzuB1 ALA 329 HB3 -0.03 0.02 0.18 -0.04 1.41 1.54 3gzuB1 ARG 330 H -0.28 0.44 -0.00 -0.55 8.46 8.07 3gzuB1 ARG 330 HA -0.14 -0.06 0.35 -0.75 4.34 3.74 3gzuB1 ARG 330 HB2 -0.24 0.12 0.14 -0.04 1.90 1.87 3gzuB1 ARG 330 HB3 -0.14 -0.07 -0.01 -0.04 1.80 1.54 3gzuB1 ARG 330 HG2 -0.23 -0.08 -0.07 -0.04 1.67 1.25 3gzuB1 ARG 330 HG3 -0.71 0.10 -0.04 -0.04 1.67 0.98 3gzuB1 ARG 330 HD2 -0.24 -0.03 -0.05 -0.04 3.22 2.87 3gzuB1 ARG 330 HD3 -0.34 -0.01 -0.03 -0.04 3.22 2.80 3gzuB1 SER 331 H -0.10 0.55 -0.23 -0.55 8.46 8.14 3gzuB1 SER 331 HA -0.06 -0.12 0.28 -0.75 4.49 3.85 3gzuB1 SER 331 HB2 -0.05 -0.14 0.08 -0.04 3.95 3.80 3gzuB1 SER 331 HB3 -0.02 0.39 0.14 -0.04 3.93 4.39 3gzuB1 VAL 332 H -0.08 0.58 -0.48 -0.55 8.24 7.70 3gzuB1 VAL 332 HA -0.06 0.06 0.78 -0.75 4.13 4.16 3gzuB1 VAL 332 HB -0.22 -0.08 0.12 -0.04 2.12 1.90 3gzuB1 VAL 332 HG13 -0.16 -0.04 -0.08 -0.04 0.97 0.65 3gzuB1 VAL 332 HG23 -0.14 0.05 0.03 -0.04 0.95 0.85 3gzuB1 VAL 333 H -0.11 0.36 0.14 -0.55 8.24 8.08 3gzuB1 VAL 333 HA -0.03 -0.05 0.35 -0.75 4.13 3.64 3gzuB1 VAL 333 HB -0.07 0.03 0.14 -0.04 2.12 2.18 3gzuB1 VAL 333 HG13 -0.09 0.00 -0.15 -0.04 0.97 0.69 3gzuB1 VAL 333 HG23 -0.15 0.02 0.02 -0.04 0.95 0.79 3gzuB1 PRO 334 HA 0.05 0.02 0.45 -0.51 4.44 4.45 3gzuB1 PRO 334 HB2 0.12 -0.04 -0.15 -0.04 2.28 2.17 3gzuB1 PRO 334 HB3 0.06 0.02 -0.00 -0.04 2.02 2.06 3gzuB1 PRO 334 HG2 0.09 -0.11 -0.33 -0.04 2.03 1.64 3gzuB1 PRO 334 HG3 0.05 0.02 -0.01 -0.04 2.03 2.06 3gzuB1 PRO 334 HD2 0.13 0.02 0.09 -0.04 3.68 3.88 3gzuB1 PRO 334 HD3 0.02 0.11 0.03 -0.04 3.65 3.77 3gzuB1 ASP 335 H 0.04 0.05 0.20 -0.55 8.40 8.14 3gzuB1 ASP 335 HA 0.08 0.06 0.57 -0.75 4.63 4.60 3gzuB1 ASP 335 HB2 0.02 -0.03 0.11 -0.04 2.71 2.77 3gzuB1 ASP 335 HB3 0.02 -0.04 0.12 -0.04 2.70 2.76 3gzuB1 LEU 336 H 0.01 0.02 0.13 -0.55 8.37 7.99 3gzuB1 LEU 336 HA -0.08 0.14 0.45 -0.75 4.35 4.11 3gzuB1 LEU 336 HB2 -0.06 -0.06 -0.02 -0.04 1.64 1.45 3gzuB1 LEU 336 HB3 -0.13 -0.01 0.08 -0.04 1.64 1.54 3gzuB1 LEU 336 HG -0.13 0.03 0.02 -0.04 1.64 1.51 3gzuB1 LEU 336 HD13 -0.17 -0.01 -0.13 -0.04 0.93 0.57 3gzuB1 LEU 336 HD23 -0.72 0.02 -0.09 -0.04 0.89 0.06 3gzuB1 LYS 337 H -0.06 0.25 0.11 -0.55 8.42 8.17 3gzuB1 LYS 337 HA -0.02 0.09 0.51 -0.75 4.32 4.15 3gzuB1 LYS 337 HB2 -0.02 -0.00 -0.11 -0.04 1.87 1.70 3gzuB1 LYS 337 HB3 -0.02 -0.10 0.08 -0.04 1.79 1.71 3gzuB1 LYS 337 HG2 -0.01 -0.01 0.09 -0.04 1.46 1.48 3gzuB1 LYS 337 HG3 -0.01 0.17 -0.57 -0.04 1.46 1.01 3gzuB1 LYS 337 HD2 -0.01 0.02 -0.06 -0.04 1.69 1.60 3gzuB1 LYS 337 HD3 -0.01 -0.07 -0.00 -0.04 1.68 1.56 3gzuB1 LYS 337 HE2 -0.00 -0.04 -0.00 -0.04 2.99 2.91 3gzuB1 LYS 337 HE3 -0.00 0.08 -0.05 -0.04 2.99 2.98 3gzuB1 GLU 338 H -0.02 0.13 0.10 -0.55 8.60 8.26 3gzuB1 GLU 338 HA -0.02 0.00 0.39 -0.75 4.29 3.91 3gzuB1 GLU 338 HB2 -0.02 0.03 -0.19 -0.04 2.09 1.86 3gzuB1 GLU 338 HB3 -0.02 -0.01 0.07 -0.04 1.99 1.99 3gzuB1 GLU 338 HG2 -0.01 -0.00 0.05 -0.04 2.34 2.34 3gzuB1 GLU 338 HG3 -0.02 -0.01 -0.02 -0.04 2.34 2.26 3gzuB1 LEU 339 H -0.02 0.03 0.00 -0.55 8.37 7.84 3gzuB1 LEU 339 HA -0.02 0.26 0.91 -0.75 4.35 4.73 3gzuB1 LEU 339 HB2 -0.01 -0.13 -0.11 -0.04 1.64 1.36 3gzuB1 LEU 339 HB3 -0.01 0.11 0.06 -0.04 1.64 1.76 3gzuB1 LEU 339 HG -0.02 -0.12 -0.38 -0.04 1.64 1.08 3gzuB1 LEU 339 HD13 -0.01 -0.01 -0.12 -0.04 0.93 0.74 3gzuB1 LEU 339 HD23 -0.04 0.10 -0.12 -0.04 0.89 0.79 3gzuB1 VAL 340 H -0.02 0.42 0.12 -0.55 8.24 8.21 3gzuB1 VAL 340 HA -0.01 0.07 0.60 -0.75 4.13 4.03 3gzuB1 VAL 340 HB -0.01 0.00 0.01 -0.04 2.12 2.08 3gzuB1 VAL 340 HG13 -0.01 -0.00 -0.02 -0.04 0.97 0.89 3gzuB1 VAL 340 HG23 -0.02 0.08 -0.10 -0.04 0.95 0.87 3gzuB1 SER 341 H -0.01 0.16 0.14 -0.55 8.46 8.20 3gzuB1 SER 341 HA -0.00 0.01 0.31 -0.75 4.49 4.06 3gzuB1 SER 341 HB2 0.00 0.02 0.09 -0.04 3.95 4.02 3gzuB1 SER 341 HB3 -0.00 0.12 0.17 -0.04 3.93 4.18 3gzuB1 THR 342 H 0.00 0.11 0.16 -0.55 8.28 8.01 3gzuB1 THR 342 HA 0.00 0.14 0.38 -0.75 4.39 4.16 3gzuB1 THR 342 HB 0.01 -0.06 0.16 -0.04 4.32 4.39 3gzuB1 THR 342 HG23 0.01 -0.01 0.01 -0.04 1.22 1.19 3gzuB1 GLU 343 H 0.01 0.07 -0.11 -0.55 8.60 8.02 3gzuB1 GLU 343 HA 0.03 0.04 0.30 -0.75 4.29 3.90 3gzuB1 GLU 343 HB2 0.01 -0.03 0.06 -0.04 2.09 2.09 3gzuB1 GLU 343 HB3 0.02 0.07 -0.01 -0.04 1.99 2.03 3gzuB1 GLU 343 HG2 0.02 0.01 0.03 -0.04 2.34 2.35 3gzuB1 GLU 343 HG3 0.01 -0.07 0.07 -0.04 2.34 2.31 3gzuB1 ALA 344 H 0.01 0.03 -0.19 -0.55 8.40 7.70 3gzuB1 ALA 344 HA 0.01 0.02 0.34 -0.75 4.34 3.95 3gzuB1 ALA 344 HB3 0.00 0.03 0.06 -0.04 1.41 1.47 3gzuB1 GLN 345 H -0.00 0.42 -0.18 -0.55 8.47 8.16 3gzuB1 GLN 345 HA -0.01 0.03 0.37 -0.75 4.36 3.99 3gzuB1 GLN 345 HB2 -0.01 0.03 0.04 -0.04 2.15 2.16 3gzuB1 GLN 345 HB3 -0.01 0.02 0.09 -0.04 2.02 2.08 3gzuB1 GLN 345 HG2 -0.03 0.06 -0.11 -0.04 2.40 2.28 3gzuB1 GLN 345 HG3 -0.03 -0.07 -0.22 -0.04 2.39 2.02 3gzuB1 GLN 345 HE21 -0.02 0.03 -0.00 -0.04 6.97 6.93 3gzuB1 GLN 345 HE22 -0.02 -0.10 -0.03 -0.04 7.69 7.49 3gzuB1 ILE 346 H 0.00 0.45 0.03 -0.55 8.25 8.18 3gzuB1 ILE 346 HA -0.04 0.01 0.34 -0.75 4.18 3.74 3gzuB1 ILE 346 HB 0.05 0.07 0.06 -0.04 1.89 2.04 3gzuB1 ILE 346 HG12 -0.05 -0.00 0.03 -0.04 1.49 1.42 3gzuB1 ILE 346 HG13 -0.00 0.25 0.11 -0.04 1.21 1.53 3gzuB1 ILE 346 HG23 0.12 -0.02 -0.01 -0.04 0.93 0.98 3gzuB1 ILE 346 HD13 0.03 -0.05 -0.03 -0.04 0.88 0.79 3gzuB1 GLN 347 H 0.03 0.56 -0.48 -0.55 8.47 8.03 3gzuB1 GLN 347 HA 0.07 -0.01 0.52 -0.75 4.36 4.19 3gzuB1 GLN 347 HB2 0.03 0.07 0.06 -0.04 2.15 2.26 3gzuB1 GLN 347 HB3 0.02 0.12 0.12 -0.04 2.02 2.23 3gzuB1 GLN 347 HG2 0.03 -0.05 0.03 -0.04 2.40 2.37 3gzuB1 GLN 347 HG3 0.03 -0.04 0.01 -0.04 2.39 2.35 3gzuB1 GLN 347 HE21 0.01 0.01 -0.03 -0.04 6.97 6.92 3gzuB1 GLN 347 HE22 0.01 -0.02 -0.02 -0.04 7.69 7.63 3gzuB1 LYS 348 H 0.02 0.55 0.16 -0.55 8.42 8.59 3gzuB1 LYS 348 HA 0.01 0.01 0.46 -0.75 4.32 4.05 3gzuB1 LYS 348 HB2 0.00 -0.03 0.13 -0.04 1.87 1.93 3gzuB1 LYS 348 HB3 0.00 0.06 0.17 -0.04 1.79 1.98 3gzuB1 LYS 348 HG2 -0.01 -0.02 0.01 -0.04 1.46 1.40 3gzuB1 LYS 348 HG3 -0.01 0.13 -0.10 -0.04 1.46 1.45 3gzuB1 LYS 348 HD2 -0.01 0.02 -0.12 -0.04 1.69 1.54 3gzuB1 LYS 348 HD3 -0.00 -0.09 -0.15 -0.04 1.68 1.40 3gzuB1 LYS 348 HE2 -0.01 -0.02 0.01 -0.04 2.99 2.93 3gzuB1 LYS 348 HE3 -0.01 0.01 -0.01 -0.04 2.99 2.94 3gzuB1 MET 349 H 0.02 0.42 -0.54 -0.55 8.47 7.82 3gzuB1 MET 349 HA -0.00 0.03 0.35 -0.75 4.52 4.15 3gzuB1 MET 349 HB2 -0.03 0.13 0.06 -0.04 2.15 2.27 3gzuB1 MET 349 HB3 0.02 0.30 0.17 -0.04 2.03 2.47 3gzuB1 MET 349 HG2 -0.23 -0.06 -0.03 -0.04 2.63 2.27 3gzuB1 MET 349 HG3 -0.11 -0.06 -0.05 -0.04 2.56 2.29 3gzuB1 MET 349 HE3 -0.06 0.01 -0.18 -0.04 2.10 1.83 3gzuB1 SER 350 H 0.11 0.45 -0.05 -0.55 8.46 8.43 3gzuB1 SER 350 HA 0.22 -0.05 0.46 -0.75 4.49 4.37 3gzuB1 SER 350 HB2 0.19 0.01 0.15 -0.04 3.95 4.26 3gzuB1 SER 350 HB3 0.08 0.16 0.15 -0.04 3.93 4.29 3gzuB1 GLN 351 H 0.05 0.34 -0.25 -0.55 8.47 8.06 3gzuB1 GLN 351 HA 0.02 -0.01 0.38 -0.75 4.36 4.00 3gzuB1 GLN 351 HB2 0.02 0.20 0.20 -0.04 2.15 2.53 3gzuB1 GLN 351 HB3 0.01 -0.00 0.01 -0.04 2.02 2.00 3gzuB1 GLN 351 HG2 0.01 -0.04 0.04 -0.04 2.40 2.38 3gzuB1 GLN 351 HG3 0.02 0.05 0.05 -0.04 2.39 2.47 3gzuB1 GLN 351 HE21 0.01 -0.02 -0.02 -0.04 6.97 6.90 3gzuB1 GLN 351 HE22 0.01 -0.00 -0.07 -0.04 7.69 7.60 3gzuB1 ASP 352 H 0.02 0.43 -0.15 -0.55 8.40 8.16 3gzuB1 ASP 352 HA 0.00 0.02 0.39 -0.75 4.63 4.29 3gzuB1 ASP 352 HB2 0.00 0.11 0.17 -0.04 2.71 2.96 3gzuB1 ASP 352 HB3 -0.01 0.01 -0.06 -0.04 2.70 2.60 3gzuB1 LEU 353 H 0.05 1.04 0.11 -0.55 8.37 9.01 3gzuB1 LEU 353 HA 0.02 0.06 0.28 -0.75 4.35 3.96 3gzuB1 LEU 353 HB2 0.14 0.26 0.10 -0.04 1.64 2.10 3gzuB1 LEU 353 HB3 0.18 -0.16 -0.20 -0.04 1.64 1.42 3gzuB1 LEU 353 HG 0.01 0.02 0.01 -0.04 1.64 1.64 3gzuB1 LEU 353 HD13 -0.05 -0.05 -0.07 -0.04 0.93 0.71 3gzuB1 LEU 353 HD23 0.05 -0.00 0.04 -0.04 0.89 0.94 3gzuB1 GLN 354 H 0.05 0.41 -0.40 -0.55 8.47 7.98 3gzuB1 GLN 354 HA 0.03 -0.03 0.25 -0.75 4.36 3.85 3gzuB1 GLN 354 HB2 0.01 0.11 -0.14 -0.04 2.15 2.08 3gzuB1 GLN 354 HB3 0.01 0.17 0.08 -0.04 2.02 2.24 3gzuB1 GLN 354 HG2 0.01 -0.07 0.01 -0.04 2.40 2.31 3gzuB1 GLN 354 HG3 0.02 -0.05 -0.05 -0.04 2.39 2.27 3gzuB1 GLN 354 HE21 0.01 -0.02 -0.01 -0.04 6.97 6.91 3gzuB1 GLN 354 HE22 0.01 -0.05 -0.02 -0.04 7.69 7.60 3gzuB1 LEU 355 H 0.06 0.09 -0.09 -0.55 8.37 7.88 3gzuB1 LEU 355 HA 0.10 0.16 0.39 -0.75 4.35 4.25 3gzuB1 LEU 355 HB2 0.07 0.02 0.06 -0.04 1.64 1.74 3gzuB1 LEU 355 HB3 -0.04 -0.03 0.17 -0.04 1.64 1.70 3gzuB1 LEU 355 HG -0.06 0.05 -0.09 -0.04 1.64 1.49 3gzuB1 LEU 355 HD13 0.07 -0.03 -0.05 -0.04 0.93 0.87 3gzuB1 LEU 355 HD23 -0.44 -0.02 0.03 -0.04 0.89 0.42 3gzuB1 GLU 356 H -0.02 0.08 0.01 -0.55 8.60 8.12 3gzuB1 GLU 356 HA 0.01 0.10 0.36 -0.75 4.29 4.01 3gzuB1 GLU 356 HB2 -0.04 -0.06 0.12 -0.04 2.09 2.07 3gzuB1 GLU 356 HB3 -0.02 0.02 0.19 -0.04 1.99 2.15 3gzuB1 GLU 356 HG2 -0.02 0.00 0.04 -0.04 2.34 2.32 3gzuB1 GLU 356 HG3 -0.00 -0.01 -0.05 -0.04 2.34 2.24 3gzuB1 ALA 357 H 0.04 0.56 0.15 -0.55 8.40 8.60 3gzuB1 ALA 357 HA 0.02 0.12 0.81 -0.75 4.34 4.54 3gzuB1 ALA 357 HB3 0.03 0.02 0.05 -0.04 1.41 1.48 3gzuB1 LEU 358 H 0.03 0.20 -0.13 -0.55 8.37 7.92 3gzuB1 LEU 358 HA 0.03 0.02 0.33 -0.75 4.35 3.97 3gzuB1 LEU 358 HB2 0.04 -0.02 -0.24 -0.04 1.64 1.37 3gzuB1 LEU 358 HB3 0.06 -0.01 0.29 -0.04 1.64 1.94 3gzuB1 LEU 358 HG 0.03 -0.00 0.01 -0.04 1.64 1.64 3gzuB1 LEU 358 HD13 0.03 -0.00 0.00 -0.04 0.93 0.92 3gzuB1 LEU 358 HD23 0.03 -0.00 -0.08 -0.04 0.89 0.80 3gzuB1 THR 359 H 0.08 0.44 0.18 -0.55 8.28 8.43 3gzuB1 THR 359 HA 0.09 -0.04 0.32 -0.75 4.39 4.01 3gzuB1 THR 359 HB 0.14 -0.00 -0.12 -0.04 4.32 4.29 3gzuB1 THR 359 HG23 0.17 0.07 0.09 -0.04 1.22 1.51 3gzuB1 ILE 360 H 0.06 0.13 0.10 -0.55 8.25 7.98 3gzuB1 ILE 360 HA 0.03 0.09 0.85 -0.75 4.18 4.39 3gzuB1 ILE 360 HB 0.03 -0.00 0.19 -0.04 1.89 2.07 3gzuB1 ILE 360 HG12 0.02 -0.01 0.02 -0.04 1.49 1.48 3gzuB1 ILE 360 HG13 0.02 0.14 -0.04 -0.04 1.21 1.29 3gzuB1 ILE 360 HG23 0.01 -0.00 -0.04 -0.04 0.93 0.87 3gzuB1 ILE 360 HD13 0.03 -0.04 -0.03 -0.04 0.88 0.80 3gzuB1 GLN 361 H 0.02 -0.05 0.22 -0.55 8.47 8.11 3gzuB1 GLN 361 HA 0.00 0.05 0.26 -0.75 4.36 3.92 3gzuB1 GLN 361 HB2 0.02 0.56 0.52 -0.04 2.15 3.21 3gzuB1 GLN 361 HB3 0.01 -0.08 -0.03 -0.04 2.02 1.88 3gzuB1 GLN 361 HG2 -0.02 -0.03 0.08 -0.04 2.40 2.39 3gzuB1 GLN 361 HG3 -0.02 -0.07 0.09 -0.04 2.39 2.34 3gzuB1 GLN 361 HE21 -0.01 0.01 -0.00 -0.04 6.97 6.93 3gzuB1 GLN 361 HE22 -0.02 -0.04 -0.00 -0.04 7.69 7.58 3gzuB1 SER 362 H 0.01 -0.01 0.18 -0.55 8.46 8.09 3gzuB1 SER 362 HA 0.02 0.07 0.44 -0.75 4.49 4.26 3gzuB1 SER 362 HB2 -0.00 0.14 0.10 -0.04 3.95 4.14 3gzuB1 SER 362 HB3 -0.01 0.03 0.08 -0.04 3.93 3.98 3gzuB1 GLU 363 H -0.03 0.11 0.15 -0.55 8.60 8.28 3gzuB1 GLU 363 HA -0.02 -0.09 0.36 -0.75 4.29 3.79 3gzuB1 GLU 363 HB2 -0.07 -0.01 -0.07 -0.04 2.09 1.89 3gzuB1 GLU 363 HB3 -0.02 0.24 0.07 -0.04 1.99 2.23 3gzuB1 GLU 363 HG2 -0.03 0.06 0.03 -0.04 2.34 2.36 3gzuB1 GLU 363 HG3 0.01 -0.00 0.13 -0.04 2.34 2.43 3gzuB1 THR 364 H 0.08 -0.08 0.08 -0.55 8.28 7.82 3gzuB1 THR 364 HA 0.02 0.25 0.82 -0.75 4.39 4.73 3gzuB1 THR 364 HB -0.02 0.01 -0.01 -0.04 4.32 4.26 3gzuB1 THR 364 HG23 -0.05 -0.00 0.05 -0.04 1.22 1.18 3gzuB1 GLN 365 H 0.19 -0.11 0.18 -0.55 8.47 8.18 3gzuB1 GLN 365 HA 0.03 0.23 0.72 -0.75 4.36 4.59 3gzuB1 GLN 365 HB2 0.27 0.05 -0.00 -0.04 2.15 2.42 3gzuB1 GLN 365 HB3 0.05 0.04 0.13 -0.04 2.02 2.20 3gzuB1 GLN 365 HG2 0.03 -0.01 -0.01 -0.04 2.40 2.36 3gzuB1 GLN 365 HG3 0.13 -0.15 0.08 -0.04 2.39 2.40 3gzuB1 GLN 365 HE21 0.22 0.20 0.01 -0.04 6.97 7.36 3gzuB1 GLN 365 HE22 0.19 -0.16 0.02 -0.04 7.69 7.69 3gzuB1 PHE 366 H 0.33 0.01 -0.19 -0.55 8.34 7.94 3gzuB1 PHE 366 HA 0.01 0.31 0.92 -0.75 4.62 5.11 3gzuB1 PHE 366 HB2 0.00 -0.01 0.00 -0.04 3.15 3.11 3gzuB1 PHE 366 HB3 0.01 0.04 0.12 -0.04 3.06 3.18 3gzuB1 PHE 366 HD2 0.01 -0.16 -0.08 -0.04 7.28 7.01 3gzuB1 PHE 366 HE2 0.01 0.07 -0.03 -0.04 7.38 7.39 3gzuB1 PHE 366 HZ 0.01 0.05 -0.08 -0.04 7.32 7.26 3gzuB1 LEU 367 H 0.10 0.18 -0.41 -0.55 8.37 7.70 3gzuB1 LEU 367 HA 0.06 0.10 0.38 -0.75 4.35 4.14 3gzuB1 LEU 367 HB2 0.02 0.08 -0.07 -0.04 1.64 1.64 3gzuB1 LEU 367 HB3 0.02 0.03 0.09 -0.04 1.64 1.74 3gzuB1 LEU 367 HG 0.05 -0.10 -0.10 -0.04 1.64 1.44 3gzuB1 LEU 367 HD13 0.01 0.03 0.05 -0.04 0.93 0.98 3gzuB1 LEU 367 HD23 0.03 0.01 -0.03 -0.04 0.89 0.86 3gzuB1 THR 368 H 0.04 -0.26 -1.75 -0.55 8.28 5.76 3gzuB1 THR 368 HA 0.00 0.02 0.25 -0.75 4.39 3.91 3gzuB1 THR 368 HB -0.07 -0.05 -0.05 -0.04 4.32 4.11 3gzuB1 THR 368 HG23 -0.04 0.01 -0.17 -0.04 1.22 0.98 3gzuB1 GLY 369 H 0.03 0.26 -0.22 -0.55 8.43 7.97 3gzuB1 GLY 369 HA2 0.02 -0.02 0.25 -0.51 4.01 3.74 3gzuB1 GLY 369 HA3 0.03 0.03 0.30 -0.51 4.01 3.86 3gzuB1 ILE 370 H 0.02 0.15 0.12 -0.55 8.25 7.99 3gzuB1 ILE 370 HA 0.02 0.03 0.32 -0.75 4.18 3.79 3gzuB1 ILE 370 HB 0.02 0.17 -0.05 -0.04 1.89 1.99 3gzuB1 ILE 370 HG12 0.02 0.01 0.03 -0.04 1.49 1.50 3gzuB1 ILE 370 HG13 0.02 -0.09 -0.21 -0.04 1.21 0.90 3gzuB1 ILE 370 HG23 0.02 -0.01 0.10 -0.04 0.93 1.00 3gzuB1 ILE 370 HD13 0.02 0.03 -0.06 -0.04 0.88 0.83 3gzuB1 ASN 371 H 0.02 -0.01 -0.72 -0.55 8.53 7.27 3gzuB1 ASN 371 HA 0.02 0.08 0.42 -0.75 4.76 4.54 3gzuB1 ASN 371 HB2 0.01 -0.03 -0.04 -0.04 2.88 2.78 3gzuB1 ASN 371 HB3 0.01 0.06 -0.04 -0.04 2.79 2.78 3gzuB1 ASN 371 HD21 0.00 -0.02 -0.19 -0.04 7.03 6.78 3gzuB1 ASN 371 HD22 0.01 -0.14 -0.05 -0.04 7.74 7.51 3gzuB1 SER 372 H 0.01 0.05 -0.15 -0.55 8.46 7.82 3gzuB1 SER 372 HA 0.01 0.11 0.25 -0.75 4.49 4.11 3gzuB1 SER 372 HB2 0.01 -0.00 -0.08 -0.04 3.95 3.84 3gzuB1 SER 372 HB3 0.01 0.09 0.05 -0.04 3.93 4.03 3gzuB1 GLN 373 H 0.02 -0.02 -1.51 -0.55 8.47 6.42 3gzuB1 GLN 373 HA 0.03 0.16 0.83 -0.75 4.36 4.62 3gzuB1 GLN 373 HB2 0.02 -0.07 -0.04 -0.04 2.15 2.03 3gzuB1 GLN 373 HB3 0.02 0.36 0.27 -0.04 2.02 2.63 3gzuB1 GLN 373 HG2 0.02 -0.02 0.00 -0.04 2.40 2.37 3gzuB1 GLN 373 HG3 0.03 -0.05 -0.23 -0.04 2.39 2.10 3gzuB1 GLN 373 HE21 0.02 0.06 -0.01 -0.04 6.97 7.00 3gzuB1 GLN 373 HE22 0.03 -0.08 -0.05 -0.04 7.69 7.55 3gzuB1 ALA 374 H 0.03 0.83 0.41 -0.55 8.40 9.12 3gzuB1 ALA 374 HA 0.04 -0.02 0.39 -0.75 4.34 3.99 3gzuB1 ALA 374 HB3 0.03 -0.03 0.12 -0.04 1.41 1.49 3gzuB1 ALA 375 H 0.04 0.52 -0.24 -0.55 8.40 8.18 3gzuB1 ALA 375 HA 0.09 0.03 0.39 -0.75 4.34 4.10 3gzuB1 ALA 375 HB3 0.03 0.01 -0.05 -0.04 1.41 1.37 3gzuB1 ASN 376 H 0.05 0.28 -0.11 -0.55 8.53 8.21 3gzuB1 ASN 376 HA 0.13 0.03 0.41 -0.75 4.76 4.57 3gzuB1 ASN 376 HB2 0.04 0.06 0.19 -0.04 2.88 3.13 3gzuB1 ASN 376 HB3 0.05 -0.00 0.14 -0.04 2.79 2.94 3gzuB1 ASN 376 HD21 0.05 0.05 0.04 -0.04 7.03 7.12 3gzuB1 ASN 376 HD22 0.04 -0.03 0.00 -0.04 7.74 7.72 3gzuB1 ASP 377 H 0.07 0.47 -0.22 -0.55 8.40 8.17 3gzuB1 ASP 377 HA 0.06 0.03 0.36 -0.75 4.63 4.33 3gzuB1 ASP 377 HB2 0.05 -0.03 -0.01 -0.04 2.71 2.68 3gzuB1 ASP 377 HB3 0.05 0.03 0.10 -0.04 2.70 2.84 3gzuB1 CYS 378 H 0.09 0.83 0.04 -0.55 8.50 8.91 3gzuB1 CYS 378 HA 0.07 -0.06 0.27 -0.75 4.58 4.10 3gzuB1 CYS 378 HB2 0.08 -0.16 -0.03 -0.04 2.97 2.82 3gzuB1 CYS 378 HB3 0.12 0.08 0.04 -0.04 2.97 3.17 3gzuB1 PHE 379 H 0.24 0.66 -0.42 -0.55 8.34 8.27 3gzuB1 PHE 379 HA 0.05 -0.01 0.41 -0.75 4.62 4.31 3gzuB1 PHE 379 HB2 0.05 -0.02 0.07 -0.04 3.15 3.21 3gzuB1 PHE 379 HB3 0.04 0.08 0.22 -0.04 3.06 3.36 3gzuB1 PHE 379 HD2 0.05 0.01 -0.02 -0.04 7.28 7.28 3gzuB1 PHE 379 HE2 0.05 0.06 -0.08 -0.04 7.38 7.37 3gzuB1 PHE 379 HZ 0.06 -0.01 -0.09 -0.04 7.32 7.24 3gzuB1 LYS 380 H 0.14 0.58 0.09 -0.55 8.42 8.68 3gzuB1 LYS 380 HA -0.26 0.01 0.35 -0.75 4.32 3.67 3gzuB1 LYS 380 HB2 0.01 -0.08 0.25 -0.04 1.87 2.01 3gzuB1 LYS 380 HB3 -0.07 -0.06 0.06 -0.04 1.79 1.68 3gzuB1 LYS 380 HG2 0.03 0.13 0.04 -0.04 1.46 1.62 3gzuB1 LYS 380 HG3 0.12 0.12 0.12 -0.04 1.46 1.78 3gzuB1 LYS 380 HD2 0.02 -0.14 -0.04 -0.04 1.69 1.49 3gzuB1 LYS 380 HD3 -0.03 -0.01 0.01 -0.04 1.68 1.61 3gzuB1 LYS 380 HE2 0.03 0.34 -0.05 -0.04 2.99 3.26 3gzuB1 LYS 380 HE3 0.05 -0.14 -0.04 -0.04 2.99 2.83 3gzuB1 THR 381 H 0.02 0.43 -0.01 -0.55 8.28 8.17 3gzuB1 THR 381 HA 0.20 -0.08 0.23 -0.75 4.39 3.99 3gzuB1 THR 381 HB 0.05 0.06 -0.03 -0.04 4.32 4.36 3gzuB1 THR 381 HG23 0.06 -0.02 -0.18 -0.04 1.22 1.04 3gzuB1 LEU 382 H -0.03 0.47 -0.47 -0.55 8.37 7.80 3gzuB1 LEU 382 HA -0.04 -0.07 0.32 -0.75 4.35 3.81 3gzuB1 LEU 382 HB2 -0.03 0.31 0.26 -0.04 1.64 2.13 3gzuB1 LEU 382 HB3 -0.09 -0.06 0.02 -0.04 1.64 1.48 3gzuB1 LEU 382 HG -0.07 -0.03 0.02 -0.04 1.64 1.53 3gzuB1 LEU 382 HD13 -0.01 -0.01 -0.05 -0.04 0.93 0.82 3gzuB1 LEU 382 HD23 -0.06 -0.02 -0.02 -0.04 0.89 0.75 3gzuB1 ILE 383 H -0.21 0.57 0.09 -0.55 8.25 8.16 3gzuB1 ILE 383 HA -0.10 -0.02 0.39 -0.75 4.18 3.70 3gzuB1 ILE 383 HB -0.19 -0.00 0.20 -0.04 1.89 1.86 3gzuB1 ILE 383 HG12 -0.51 0.19 0.11 -0.04 1.49 1.24 3gzuB1 ILE 383 HG13 -0.44 -0.04 0.01 -0.04 1.21 0.70 3gzuB1 ILE 383 HG23 -0.01 -0.02 -0.12 -0.04 0.93 0.74 3gzuB1 ILE 383 HD13 -0.07 -0.03 0.00 -0.04 0.88 0.74 3gzuB1 ALA 384 H -0.04 0.25 -0.07 -0.55 8.40 8.00 3gzuB1 ALA 384 HA 0.07 -0.02 0.32 -0.75 4.34 3.96 3gzuB1 ALA 384 HB3 0.14 -0.00 0.02 -0.04 1.41 1.52 3gzuB1 ALA 385 H 0.15 0.44 -0.39 -0.55 8.40 8.06 3gzuB1 ALA 385 HA -0.11 -0.12 0.18 -0.75 4.34 3.53 3gzuB1 ALA 385 HB3 -0.10 0.07 0.01 -0.04 1.41 1.35 3gzuB1 MET 386 H -0.07 0.46 -0.08 -0.55 8.47 8.24 3gzuB1 MET 386 HA -0.17 -0.00 0.35 -0.75 4.52 3.95 3gzuB1 MET 386 HB2 -0.15 0.02 0.25 -0.04 2.15 2.23 3gzuB1 MET 386 HB3 -0.33 -0.04 -0.01 -0.04 2.03 1.61 3gzuB1 MET 386 HG2 -0.24 -0.04 0.05 -0.04 2.63 2.36 3gzuB1 MET 386 HG3 -0.16 0.25 0.14 -0.04 2.56 2.75 3gzuB1 MET 386 HE3 -0.23 0.01 -0.01 -0.04 2.10 1.83 3gzuB1 LEU 387 H 0.09 0.30 -0.01 -0.55 8.37 8.20 3gzuB1 LEU 387 HA 0.32 0.02 0.36 -0.75 4.35 4.30 3gzuB1 LEU 387 HB2 0.13 -0.09 0.13 -0.04 1.64 1.77 3gzuB1 LEU 387 HB3 0.18 0.02 -0.01 -0.04 1.64 1.78 3gzuB1 LEU 387 HG 0.17 0.07 -0.12 -0.04 1.64 1.71 3gzuB1 LEU 387 HD13 0.02 -0.03 -0.08 -0.04 0.93 0.80 3gzuB1 LEU 387 HD23 0.35 -0.00 -0.00 -0.04 0.89 1.20 3gzuB1 SER 388 H 0.12 0.41 -0.06 -0.55 8.46 8.39 3gzuB1 SER 388 HA 0.11 -0.03 0.19 -0.75 4.49 4.00 3gzuB1 SER 388 HB2 0.15 -0.06 -0.25 -0.04 3.95 3.74 3gzuB1 SER 388 HB3 0.13 0.04 -0.19 -0.04 3.93 3.87 3gzuB1 GLN 389 H 0.08 0.60 -1.12 -0.55 8.47 7.48 3gzuB1 GLN 389 HA -0.06 0.06 0.38 -0.75 4.36 3.99 3gzuB1 GLN 389 HB2 0.26 0.04 -0.30 -0.04 2.15 2.11 3gzuB1 GLN 389 HB3 0.10 -0.18 0.27 -0.04 2.02 2.17 3gzuB1 GLN 389 HG2 0.17 0.27 0.04 -0.04 2.40 2.84 3gzuB1 GLN 389 HG3 0.21 -0.16 -0.19 -0.04 2.39 2.20 3gzuB1 GLN 389 HE21 0.20 -0.17 -0.07 -0.04 6.97 6.88 3gzuB1 GLN 389 HE22 0.15 0.09 -0.70 -0.04 7.69 7.19 3gzuB1 ARG 390 H -0.05 0.80 -0.05 -0.55 8.46 8.60 3gzuB1 ARG 390 HA -0.02 0.03 0.66 -0.75 4.34 4.26 3gzuB1 ARG 390 HB2 -0.06 0.03 -0.15 -0.04 1.90 1.67 3gzuB1 ARG 390 HB3 -0.16 -0.02 -0.04 -0.04 1.80 1.54 3gzuB1 ARG 390 HG2 -0.36 -0.08 -0.15 -0.04 1.67 1.05 3gzuB1 ARG 390 HG3 -0.17 -0.15 0.08 -0.04 1.67 1.39 3gzuB1 ARG 390 HD2 -0.05 -0.05 0.03 -0.04 3.22 3.11 3gzuB1 ARG 390 HD3 -0.09 0.01 -0.20 -0.04 3.22 2.90 3gzuB1 THR 391 H -0.13 0.26 0.18 -0.55 8.28 8.05 3gzuB1 THR 391 HA -0.17 0.28 0.65 -0.75 4.39 4.40 3gzuB1 THR 391 HB -0.09 -0.00 -0.01 -0.04 4.32 4.18 3gzuB1 THR 391 HG23 -0.05 -0.07 -0.13 -0.04 1.22 0.92 3gzuB1 MET 392 H -0.40 0.23 0.10 -0.55 8.47 7.86 3gzuB1 MET 392 HA -0.21 0.07 0.89 -0.75 4.52 4.52 3gzuB1 MET 392 HB2 -0.38 0.16 0.13 -0.04 2.15 2.01 3gzuB1 MET 392 HB3 -0.24 -0.08 0.21 -0.04 2.03 1.88 3gzuB1 MET 392 HG2 -0.28 0.03 -0.20 -0.04 2.63 2.14 3gzuB1 MET 392 HG3 -0.29 -0.01 -0.80 -0.04 2.56 1.43 3gzuB1 MET 392 HE3 -0.21 0.01 -0.11 -0.04 2.10 1.75 3gzuB1 SER 393 H -0.20 0.33 0.19 -0.55 8.46 8.23 3gzuB1 SER 393 HA -0.17 0.18 0.80 -0.75 4.49 4.54 3gzuB1 SER 393 HB2 -0.08 0.05 -0.09 -0.04 3.95 3.80 3gzuB1 SER 393 HB3 -0.06 -0.04 -0.06 -0.04 3.93 3.72 3gzuB1 LEU 394 H -0.01 0.16 0.11 -0.55 8.37 8.08 3gzuB1 LEU 394 HA 0.00 0.04 0.97 -0.75 4.35 4.61 3gzuB1 LEU 394 HB2 0.08 -0.06 0.07 -0.04 1.64 1.69 3gzuB1 LEU 394 HB3 0.10 0.10 -0.07 -0.04 1.64 1.74 3gzuB1 LEU 394 HG 0.00 -0.13 -0.38 -0.04 1.64 1.09 3gzuB1 LEU 394 HD13 0.12 0.02 -0.09 -0.04 0.93 0.94 3gzuB1 LEU 394 HD23 -0.00 0.18 -0.14 -0.04 0.89 0.89 3gzuB1 ASP 395 H 0.03 0.07 -0.14 -0.55 8.40 7.81 3gzuB1 ASP 395 HA 0.05 0.08 0.43 -0.75 4.63 4.44 3gzuB1 ASP 395 HB2 0.02 -0.03 0.04 -0.04 2.71 2.69 3gzuB1 ASP 395 HB3 0.03 -0.11 0.13 -0.04 2.70 2.70 3gzuB1 PHE 396 H 0.20 0.29 0.45 -0.55 8.34 8.72 3gzuB1 PHE 396 HA 0.01 0.06 0.59 -0.75 4.62 4.54 3gzuB1 PHE 396 HB2 0.02 0.08 0.05 -0.04 3.15 3.26 3gzuB1 PHE 396 HB3 0.01 -0.01 0.15 -0.04 3.06 3.16 3gzuB1 PHE 396 HD2 0.02 0.02 -0.07 -0.04 7.28 7.22 3gzuB1 PHE 396 HE2 0.03 0.07 -0.12 -0.04 7.38 7.31 3gzuB1 PHE 396 HZ 0.03 0.16 -0.13 -0.04 7.32 7.34 3gzuB1 VAL 397 H -1.19 0.20 -0.06 -0.55 8.24 6.64 3gzuB1 VAL 397 HA -0.41 0.19 0.77 -0.75 4.13 3.92 3gzuB1 VAL 397 HB -0.21 -0.06 0.10 -0.04 2.12 1.91 3gzuB1 VAL 397 HG13 -0.12 0.02 -0.25 -0.04 0.97 0.58 3gzuB1 VAL 397 HG23 -0.19 0.02 -0.03 -0.04 0.95 0.70 3gzuB1 THR 398 H -0.84 0.15 -0.13 -0.55 8.28 6.91 3gzuB1 THR 398 HA -0.10 0.05 0.17 -0.75 4.39 3.76 3gzuB1 THR 398 HB -0.05 -0.09 0.00 -0.04 4.32 4.14 3gzuB1 THR 398 HG23 0.11 0.03 -0.21 -0.04 1.22 1.11 3gzuB1 THR 399 H -0.16 -0.00 -0.16 -0.55 8.28 7.41 3gzuB1 THR 399 HA -0.20 0.06 0.41 -0.75 4.39 3.91 3gzuB1 THR 399 HB -0.16 -0.14 0.17 -0.04 4.32 4.14 3gzuB1 THR 399 HG23 -0.20 0.01 -0.06 -0.04 1.22 0.93 3gzuB1 ASN 400 H -0.22 0.07 -0.01 -0.55 8.53 7.82 3gzuB1 ASN 400 HA -0.24 -0.08 0.28 -0.75 4.76 3.97 3gzuB1 ASN 400 HB2 -0.09 -0.00 -0.02 -0.04 2.88 2.72 3gzuB1 ASN 400 HB3 -0.15 0.15 0.08 -0.04 2.79 2.84 3gzuB1 ASN 400 HD21 -0.01 0.02 0.00 -0.04 7.03 7.00 3gzuB1 ASN 400 HD22 -0.05 0.10 0.02 -0.04 7.74 7.78 3gzuB1 TYR 401 H -0.95 0.15 0.29 -0.55 8.29 7.23 3gzuB1 TYR 401 HA 0.06 0.17 0.39 -0.75 4.56 4.42 3gzuB1 TYR 401 HB2 -0.02 -0.04 0.02 -0.04 3.06 2.98 3gzuB1 TYR 401 HB3 0.02 0.16 0.18 -0.04 2.98 3.30 3gzuB1 TYR 401 HD2 -0.02 -0.06 0.13 -0.04 7.15 7.15 3gzuB1 TYR 401 HE2 -0.02 -0.03 0.03 -0.04 6.85 6.78 3gzuB1 MET 402 H 0.26 0.09 -0.11 -0.55 8.47 8.17 3gzuB1 MET 402 HA 0.08 0.10 0.40 -0.75 4.52 4.35 3gzuB1 MET 402 HB2 0.07 0.07 0.12 -0.04 2.15 2.36 3gzuB1 MET 402 HB3 0.05 -0.15 0.09 -0.04 2.03 1.98 3gzuB1 MET 402 HG2 -0.03 0.03 -0.02 -0.04 2.63 2.57 3gzuB1 MET 402 HG3 0.02 0.00 -0.23 -0.04 2.56 2.31 3gzuB1 MET 402 HE3 -0.02 0.03 0.05 -0.04 2.10 2.12 3gzuB1 SER 403 H 0.05 0.08 -0.21 -0.55 8.46 7.83 3gzuB1 SER 403 HA 0.07 0.02 0.24 -0.75 4.49 4.06 3gzuB1 SER 403 HB2 -0.01 0.04 0.05 -0.04 3.95 3.99 3gzuB1 SER 403 HB3 0.04 0.03 -0.17 -0.04 3.93 3.78 3gzuB1 LEU 404 H 0.13 0.34 -1.00 -0.55 8.37 7.29 3gzuB1 LEU 404 HA 0.22 -0.04 0.52 -0.75 4.35 4.30 3gzuB1 LEU 404 HB2 0.18 0.42 0.25 -0.04 1.64 2.45 3gzuB1 LEU 404 HB3 0.17 -0.05 -0.10 -0.04 1.64 1.62 3gzuB1 LEU 404 HG 0.46 -0.16 -0.16 -0.04 1.64 1.73 3gzuB1 LEU 404 HD13 0.19 0.05 -0.19 -0.04 0.93 0.94 3gzuB1 LEU 404 HD23 0.21 0.02 -0.28 -0.04 0.89 0.80 3gzuB1 ILE 405 H 0.12 0.48 0.25 -0.55 8.25 8.55 3gzuB1 ILE 405 HA 0.09 0.00 0.37 -0.75 4.18 3.90 3gzuB1 ILE 405 HB 0.07 -0.01 0.19 -0.04 1.89 2.10 3gzuB1 ILE 405 HG12 0.04 -0.00 0.07 -0.04 1.49 1.56 3gzuB1 ILE 405 HG13 0.08 0.13 0.10 -0.04 1.21 1.47 3gzuB1 ILE 405 HG23 0.03 -0.01 -0.11 -0.04 0.93 0.80 3gzuB1 ILE 405 HD13 -0.00 -0.02 -0.02 -0.04 0.88 0.81 3gzuB1 SER 406 H 0.12 0.35 -0.22 -0.55 8.46 8.17 3gzuB1 SER 406 HA 0.24 0.00 0.29 -0.75 4.49 4.28 3gzuB1 SER 406 HB2 0.22 -0.06 -0.10 -0.04 3.95 3.98 3gzuB1 SER 406 HB3 0.15 -0.02 0.02 -0.04 3.93 4.04 3gzuB1 GLY 407 H 0.16 0.41 -0.50 -0.55 8.43 7.96 3gzuB1 GLY 407 HA2 0.09 -0.10 0.37 -0.51 4.01 3.86 3gzuB1 GLY 407 HA3 0.11 0.04 0.35 -0.51 4.01 4.00 3gzuB1 MET 408 H 0.22 0.54 -0.11 -0.55 8.47 8.57 3gzuB1 MET 408 HA 0.43 -0.06 0.28 -0.75 4.52 4.42 3gzuB1 MET 408 HB2 0.29 0.22 0.11 -0.04 2.15 2.72 3gzuB1 MET 408 HB3 0.67 -0.06 0.01 -0.04 2.03 2.60 3gzuB1 MET 408 HG2 0.44 -0.05 -0.01 -0.04 2.63 2.96 3gzuB1 MET 408 HG3 0.25 -0.03 0.01 -0.04 2.56 2.76 3gzuB1 MET 408 HE3 -0.28 -0.01 -0.02 -0.04 2.10 1.75 3gzuB1 TRP 409 H 0.42 0.35 -0.48 -0.55 7.97 7.71 3gzuB1 TRP 409 HA 0.17 -0.02 0.37 -0.75 4.62 4.39 3gzuB1 TRP 409 HB2 0.09 -0.10 0.08 -0.04 3.23 3.26 3gzuB1 TRP 409 HB3 0.08 0.50 0.30 -0.04 3.23 4.06 3gzuB1 TRP 409 HD1 0.06 -0.06 -0.08 -0.04 7.22 7.10 3gzuB1 TRP 409 HE1 0.06 -0.01 -0.09 -0.04 10.20 10.12 3gzuB1 TRP 409 HE3 0.11 0.02 0.03 -0.04 7.59 7.71 3gzuB1 TRP 409 HZ2 0.07 -0.00 -0.11 -0.04 7.44 7.35 3gzuB1 TRP 409 HZ3 0.08 0.00 -0.16 -0.04 7.13 7.01 3gzuB1 TRP 409 HH2 0.06 -0.00 -0.08 -0.04 7.19 7.13 3gzuB1 LEU 410 H 0.01 0.32 0.02 -0.55 8.37 8.18 3gzuB1 LEU 410 HA -0.75 -0.09 0.30 -0.75 4.35 3.05 3gzuB1 LEU 410 HB2 -0.10 0.25 0.24 -0.04 1.64 1.98 3gzuB1 LEU 410 HB3 -0.25 -0.00 -0.06 -0.04 1.64 1.29 3gzuB1 LEU 410 HG -0.13 -0.04 0.01 -0.04 1.64 1.44 3gzuB1 LEU 410 HD13 0.06 -0.03 -0.05 -0.04 0.93 0.88 3gzuB1 LEU 410 HD23 -0.23 -0.01 -0.01 -0.04 0.89 0.60 3gzuB1 LEU 411 H -0.18 0.39 -0.19 -0.55 8.37 7.84 3gzuB1 LEU 411 HA -0.45 0.15 0.37 -0.75 4.35 3.67 3gzuB1 LEU 411 HB2 -0.37 0.02 -0.00 -0.04 1.64 1.24 3gzuB1 LEU 411 HB3 -0.50 -0.01 -0.04 -0.04 1.64 1.06 3gzuB1 LEU 411 HG -0.34 -0.00 -0.07 -0.04 1.64 1.18 3gzuB1 LEU 411 HD13 -0.68 -0.03 -0.08 -0.04 0.93 0.10 3gzuB1 LEU 411 HD23 -0.57 0.01 -0.08 -0.04 0.89 0.20 3gzuB1 THR 412 H -0.04 0.60 -0.23 -0.55 8.28 8.06 3gzuB1 THR 412 HA -0.22 -0.10 0.31 -0.75 4.39 3.63 3gzuB1 THR 412 HB 0.60 0.11 0.13 -0.04 4.32 5.12 3gzuB1 THR 412 HG23 0.38 -0.07 -0.09 -0.04 1.22 1.40 3gzuB1 VAL 413 H -0.31 0.37 -0.58 -0.55 8.24 7.17 3gzuB1 VAL 413 HA -0.01 0.11 1.01 -0.75 4.13 4.48 3gzuB1 VAL 413 HB -0.83 0.01 0.04 -0.04 2.12 1.30 3gzuB1 VAL 413 HG13 -0.17 -0.02 -0.11 -0.04 0.97 0.63 3gzuB1 VAL 413 HG23 0.29 -0.04 -0.15 -0.04 0.95 1.01 3gzuB1 VAL 414 H -0.40 0.07 0.12 -0.55 8.24 7.47 3gzuB1 VAL 414 HA -0.20 0.02 0.33 -0.75 4.13 3.52 3gzuB1 VAL 414 HB -0.42 -0.01 0.01 -0.04 2.12 1.66 3gzuB1 VAL 414 HG13 -0.10 0.00 -0.25 -0.04 0.97 0.59 3gzuB1 VAL 414 HG23 -0.23 -0.03 0.05 -0.04 0.95 0.70 3gzuB1 PRO 415 HA -0.19 0.17 0.55 -0.51 4.44 4.46 3gzuB1 PRO 415 HB2 -0.27 -0.04 0.19 -0.04 2.28 2.11 3gzuB1 PRO 415 HB3 0.08 0.06 0.18 -0.04 2.02 2.30 3gzuB1 PRO 415 HG2 0.66 0.01 0.13 -0.04 2.03 2.79 3gzuB1 PRO 415 HG3 0.10 0.06 0.22 -0.04 2.03 2.36 3gzuB1 PRO 415 HD2 -0.23 0.07 0.17 -0.04 3.68 3.65 3gzuB1 PRO 415 HD3 -0.08 0.09 0.13 -0.04 3.65 3.75 3gzuB1 ASN 416 H -0.34 0.37 0.26 -0.55 8.53 8.27 3gzuB1 ASN 416 HA -0.58 0.01 0.15 -0.75 4.76 3.58 3gzuB1 ASN 416 HB2 -0.24 -0.10 -0.06 -0.04 2.88 2.44 3gzuB1 ASN 416 HB3 -0.38 0.05 0.08 -0.04 2.79 2.50 3gzuB1 ASN 416 HD21 -0.12 0.03 -0.12 -0.04 7.03 6.78 3gzuB1 ASN 416 HD22 -0.12 -0.10 -0.21 -0.04 7.74 7.27 3gzuB1 ASP 417 H -0.14 0.04 -0.82 -0.55 8.40 6.93 3gzuB1 ASP 417 HA -0.11 -0.08 0.23 -0.75 4.63 3.92 3gzuB1 ASP 417 HB2 -0.04 -0.08 -0.07 -0.04 2.71 2.47 3gzuB1 ASP 417 HB3 -0.04 0.08 -0.13 -0.04 2.70 2.58 3gzuB1 MET 418 H -0.05 0.70 -0.48 -0.55 8.47 8.09 3gzuB1 MET 418 HA 0.32 0.07 0.89 -0.75 4.52 5.05 3gzuB1 MET 418 HB2 -0.15 0.14 0.09 -0.04 2.15 2.18 3gzuB1 MET 418 HB3 0.02 -0.04 -0.05 -0.04 2.03 1.92 3gzuB1 MET 418 HG2 -0.44 0.03 0.03 -0.04 2.63 2.21 3gzuB1 MET 418 HG3 -0.06 -0.05 0.07 -0.04 2.56 2.48 3gzuB1 MET 418 HE3 -0.74 0.03 0.03 -0.04 2.10 1.37 3gzuB1 PHE 419 H 0.13 0.31 -0.29 -0.55 8.34 7.93 3gzuB1 PHE 419 HA -0.09 -0.10 0.56 -0.75 4.62 4.24 3gzuB1 PHE 419 HB2 -0.12 0.34 -0.14 -0.04 3.15 3.18 3gzuB1 PHE 419 HB3 -0.11 -0.11 -0.12 -0.04 3.06 2.69 3gzuB1 PHE 419 HD2 -0.14 0.30 -0.17 -0.04 7.28 7.23 3gzuB1 PHE 419 HE2 -0.15 -0.04 -0.14 -0.04 7.38 7.02 3gzuB1 PHE 419 HZ -0.14 -0.05 -0.12 -0.04 7.32 6.96 3gzuB1 ILE 420 H -0.09 0.17 0.09 -0.55 8.25 7.87 3gzuB1 ILE 420 HA -0.01 0.06 0.35 -0.75 4.18 3.82 3gzuB1 ILE 420 HB -0.06 0.13 0.02 -0.04 1.89 1.94 3gzuB1 ILE 420 HG12 -0.02 -0.37 -0.23 -0.04 1.49 0.82 3gzuB1 ILE 420 HG13 -0.03 0.09 0.04 -0.04 1.21 1.27 3gzuB1 ILE 420 HG23 -0.08 0.04 0.03 -0.04 0.93 0.88 3gzuB1 ILE 420 HD13 -0.04 0.02 -0.05 -0.04 0.88 0.77 3gzuB1 ARG 421 H -0.01 0.14 0.19 -0.55 8.46 8.23 3gzuB1 ARG 421 HA -0.01 0.16 0.37 -0.75 4.34 4.11 3gzuB1 ARG 421 HB2 -0.02 0.06 0.18 -0.04 1.90 2.08 3gzuB1 ARG 421 HB3 -0.01 -0.07 0.09 -0.04 1.80 1.77 3gzuB1 ARG 421 HG2 -0.01 -0.06 -0.03 -0.04 1.67 1.53 3gzuB1 ARG 421 HG3 -0.02 0.06 0.06 -0.04 1.67 1.73 3gzuB1 ARG 421 HD2 -0.02 0.04 0.03 -0.04 3.22 3.23 3gzuB1 ARG 421 HD3 -0.01 -0.02 -0.01 -0.04 3.22 3.14 3gzuB1 GLU 422 H -0.01 0.06 -0.32 -0.55 8.60 7.79 3gzuB1 GLU 422 HA -0.01 0.04 0.36 -0.75 4.29 3.93 3gzuB1 GLU 422 HB2 -0.02 0.01 0.07 -0.04 2.09 2.11 3gzuB1 GLU 422 HB3 -0.01 -0.00 -0.03 -0.04 1.99 1.91 3gzuB1 GLU 422 HG2 -0.01 0.04 0.00 -0.04 2.34 2.34 3gzuB1 GLU 422 HG3 -0.01 0.02 0.01 -0.04 2.34 2.32 3gzuB1 SER 423 H -0.02 0.22 -0.01 -0.55 8.46 8.11 3gzuB1 SER 423 HA -0.03 -0.06 0.36 -0.75 4.49 4.01 3gzuB1 SER 423 HB2 -0.06 0.01 0.23 -0.04 3.95 4.09 3gzuB1 SER 423 HB3 -0.01 0.22 -0.01 -0.04 3.93 4.09 3gzuB1 LEU 424 H 0.02 0.39 -0.64 -0.55 8.37 7.59 3gzuB1 LEU 424 HA -0.05 0.00 0.41 -0.75 4.35 3.95 3gzuB1 LEU 424 HB2 0.01 0.06 -0.04 -0.04 1.64 1.63 3gzuB1 LEU 424 HB3 -0.02 0.37 0.09 -0.04 1.64 2.05 3gzuB1 LEU 424 HG -0.08 -0.10 -0.17 -0.04 1.64 1.24 3gzuB1 LEU 424 HD13 -0.30 -0.04 0.01 -0.04 0.93 0.56 3gzuB1 LEU 424 HD23 -0.14 0.02 -0.07 -0.04 0.89 0.66 3gzuB1 VAL 425 H -0.02 0.40 0.00 -0.55 8.24 8.07 3gzuB1 VAL 425 HA -0.00 -0.08 0.31 -0.75 4.13 3.60 3gzuB1 VAL 425 HB -0.02 -0.01 0.23 -0.04 2.12 2.28 3gzuB1 VAL 425 HG13 0.01 -0.02 -0.12 -0.04 0.97 0.79 3gzuB1 VAL 425 HG23 -0.00 0.03 0.02 -0.04 0.95 0.95 3gzuB1 ALA 426 H -0.07 0.26 -0.09 -0.55 8.40 7.96 3gzuB1 ALA 426 HA -0.09 0.00 0.28 -0.75 4.34 3.78 3gzuB1 ALA 426 HB3 -0.21 -0.01 0.08 -0.04 1.41 1.23 3gzuB1 CYS 427 H -0.29 0.34 -0.11 -0.55 8.50 7.90 3gzuB1 CYS 427 HA -0.52 -0.08 0.26 -0.75 4.58 3.49 3gzuB1 CYS 427 HB2 -0.17 0.11 0.15 -0.04 2.97 3.02 3gzuB1 CYS 427 HB3 -0.16 0.06 0.15 -0.04 2.97 2.97 3gzuB1 GLN 428 H -0.13 0.60 -0.05 -0.55 8.47 8.34 3gzuB1 GLN 428 HA 0.05 -0.02 0.36 -0.75 4.36 3.99 3gzuB1 GLN 428 HB2 0.61 -0.04 0.05 -0.04 2.15 2.73 3gzuB1 GLN 428 HB3 -0.13 0.13 0.13 -0.04 2.02 2.12 3gzuB1 GLN 428 HG2 0.07 -0.24 0.19 -0.04 2.40 2.38 3gzuB1 GLN 428 HG3 0.22 -0.04 -0.19 -0.04 2.39 2.34 3gzuB1 GLN 428 HE21 0.05 -0.09 -0.07 -0.04 6.97 6.82 3gzuB1 GLN 428 HE22 0.04 0.20 0.14 -0.04 7.69 8.03 3gzuB1 LEU 429 H 0.03 0.50 0.03 -0.55 8.37 8.38 3gzuB1 LEU 429 HA 0.00 -0.03 0.31 -0.75 4.35 3.88 3gzuB1 LEU 429 HB2 0.08 -0.05 0.07 -0.04 1.64 1.71 3gzuB1 LEU 429 HB3 0.03 0.12 0.09 -0.04 1.64 1.83 3gzuB1 LEU 429 HG 0.08 -0.02 -0.19 -0.04 1.64 1.47 3gzuB1 LEU 429 HD13 0.19 -0.01 -0.01 -0.04 0.93 1.06 3gzuB1 LEU 429 HD23 0.08 -0.02 -0.06 -0.04 0.89 0.85 3gzuB1 ALA 430 H -0.04 0.68 -0.32 -0.55 8.40 8.17 3gzuB1 ALA 430 HA 0.11 -0.08 0.34 -0.75 4.34 3.95 3gzuB1 ALA 430 HB3 0.06 0.02 -0.02 -0.04 1.41 1.44 3gzuB1 ILE 431 H 0.07 0.53 -0.13 -0.55 8.25 8.16 3gzuB1 ILE 431 HA 0.13 -0.02 0.31 -0.75 4.18 3.84 3gzuB1 ILE 431 HB 0.22 -0.01 0.21 -0.04 1.89 2.27 3gzuB1 ILE 431 HG12 0.13 -0.09 -0.09 -0.04 1.49 1.40 3gzuB1 ILE 431 HG13 0.07 0.45 0.06 -0.04 1.21 1.74 3gzuB1 ILE 431 HG23 0.17 -0.03 -0.15 -0.04 0.93 0.87 3gzuB1 ILE 431 HD13 0.13 -0.05 -0.14 -0.04 0.88 0.78 3gzuB1 VAL 432 H 0.09 0.64 0.06 -0.55 8.24 8.49 3gzuB1 VAL 432 HA -0.02 -0.11 0.21 -0.75 4.13 3.46 3gzuB1 VAL 432 HB -0.20 0.01 0.07 -0.04 2.12 1.96 3gzuB1 VAL 432 HG13 -0.94 0.00 -0.11 -0.04 0.97 -0.13 3gzuB1 VAL 432 HG23 -0.08 0.03 -0.12 -0.04 0.95 0.74 3gzuB1 ASN 433 H -0.01 0.75 -0.22 -0.55 8.53 8.50 3gzuB1 ASN 433 HA -0.07 0.14 0.64 -0.75 4.76 4.73 3gzuB1 ASN 433 HB2 0.07 0.20 0.15 -0.04 2.88 3.26 3gzuB1 ASN 433 HB3 0.14 -0.16 0.15 -0.04 2.79 2.88 3gzuB1 ASN 433 HD21 0.21 -0.16 -0.32 -0.04 7.03 6.72 3gzuB1 ASN 433 HD22 0.08 0.01 -0.06 -0.04 7.74 7.73 3gzuB1 THR 434 H 0.14 0.20 0.09 -0.55 8.28 8.16 3gzuB1 THR 434 HA 0.22 -0.05 0.41 -0.75 4.39 4.21 3gzuB1 THR 434 HB 0.20 0.27 0.20 -0.04 4.32 4.94 3gzuB1 THR 434 HG23 0.34 -0.03 0.21 -0.04 1.22 1.69 3gzuB1 ILE 435 H 0.09 0.48 -1.37 -0.55 8.25 6.90 3gzuB1 ILE 435 HA 0.11 -0.03 0.48 -0.75 4.18 3.98 3gzuB1 ILE 435 HB 0.08 0.09 -0.16 -0.04 1.89 1.86 3gzuB1 ILE 435 HG12 0.13 0.15 -0.07 -0.04 1.49 1.66 3gzuB1 ILE 435 HG13 0.13 0.11 -0.65 -0.04 1.21 0.77 3gzuB1 ILE 435 HG23 0.04 -0.26 0.12 -0.04 0.93 0.79 3gzuB1 ILE 435 HD13 0.12 -0.08 -0.05 -0.04 0.88 0.83 3gzuB1 ILE 436 H 0.05 0.07 0.05 -0.55 8.25 7.88 3gzuB1 ILE 436 HA 0.04 -0.02 0.32 -0.75 4.18 3.77 3gzuB1 ILE 436 HB 0.03 -0.01 0.11 -0.04 1.89 1.98 3gzuB1 ILE 436 HG12 0.09 -0.02 -0.73 -0.04 1.49 0.79 3gzuB1 ILE 436 HG13 0.24 0.29 0.01 -0.04 1.21 1.70 3gzuB1 ILE 436 HG23 -0.09 -0.00 -0.01 -0.04 0.93 0.79 3gzuB1 ILE 436 HD13 0.09 -0.06 -0.06 -0.04 0.88 0.82 3gzuB1 TYR 437 H 0.41 0.15 0.24 -0.55 8.29 8.54 3gzuB1 TYR 437 HA 0.09 -0.21 0.34 -0.75 4.56 4.04 3gzuB1 TYR 437 HB2 -0.06 0.50 0.38 -0.04 3.06 3.83 3gzuB1 TYR 437 HB3 -0.06 0.11 0.09 -0.04 2.98 3.08 3gzuB1 TYR 437 HD2 -0.03 0.02 0.08 -0.04 7.15 7.18 3gzuB1 TYR 437 HE2 -0.05 -0.05 -0.02 -0.04 6.85 6.69 3gzuB1 PRO 438 HA 0.04 0.11 0.61 -0.51 4.44 4.69 3gzuB1 PRO 438 HB2 0.04 -0.06 -0.02 -0.04 2.28 2.20 3gzuB1 PRO 438 HB3 -0.13 -0.03 0.06 -0.04 2.02 1.88 3gzuB1 PRO 438 HG2 0.07 -0.15 0.03 -0.04 2.03 1.93 3gzuB1 PRO 438 HG3 -0.14 0.01 0.10 -0.04 2.03 1.96 3gzuB1 PRO 438 HD2 0.07 0.94 0.22 -0.04 3.68 4.88 3gzuB1 PRO 438 HD3 -0.11 0.00 0.22 -0.04 3.65 3.72 3gzuB1 ALA 439 H 0.13 0.20 -0.12 -0.55 8.40 8.06 3gzuB1 ALA 439 HA 0.16 0.14 0.43 -0.75 4.34 4.31 3gzuB1 ALA 439 HB3 0.14 -0.04 0.05 -0.04 1.41 1.52 3gzuB1 PHE 440 H 0.26 0.65 -0.57 -0.55 8.34 8.13 3gzuB1 PHE 440 HA 0.15 0.02 0.50 -0.75 4.62 4.54 3gzuB1 PHE 440 HB2 0.09 -0.09 -0.06 -0.04 3.15 3.05 3gzuB1 PHE 440 HB3 -0.04 0.08 -0.33 -0.04 3.06 2.74 3gzuB1 PHE 440 HD2 0.01 0.00 0.01 -0.04 7.28 7.26 3gzuB1 PHE 440 HE2 -0.07 -0.03 0.01 -0.04 7.38 7.26 3gzuB1 PHE 440 HZ -0.06 0.01 -0.12 -0.04 7.32 7.10 3gzuB1 GLY 441 H 0.06 0.55 -0.52 -0.55 8.43 7.97 3gzuB1 GLY 441 HA2 -0.05 0.05 0.38 -0.51 4.01 3.88 3gzuB1 GLY 441 HA3 -0.21 -0.05 0.35 -0.51 4.01 3.59 3gzuB1 MET 442 H -0.14 0.06 -0.62 -0.55 8.47 7.21 3gzuB1 MET 442 HA -0.18 0.01 0.31 -0.75 4.52 3.91 3gzuB1 MET 442 HB2 -0.09 0.02 0.08 -0.04 2.15 2.12 3gzuB1 MET 442 HB3 -0.19 0.02 0.15 -0.04 2.03 1.97 3gzuB1 MET 442 HG2 -0.30 -0.29 0.19 -0.04 2.63 2.18 3gzuB1 MET 442 HG3 -0.13 0.01 0.08 -0.04 2.56 2.48 3gzuB1 MET 442 HE3 -0.29 -0.00 0.04 -0.04 2.10 1.80 3gzuB1 GLN 443 H -0.26 0.12 0.08 -0.55 8.47 7.87 3gzuB1 GLN 443 HA 0.06 0.01 0.41 -0.75 4.36 4.09 3gzuB1 GLN 443 HB2 0.13 0.07 0.13 -0.04 2.15 2.44 3gzuB1 GLN 443 HB3 0.54 -0.01 -0.07 -0.04 2.02 2.43 3gzuB1 GLN 443 HG2 0.17 -0.09 -0.01 -0.04 2.40 2.42 3gzuB1 GLN 443 HG3 0.12 0.05 0.02 -0.04 2.39 2.54 3gzuB1 GLN 443 HE21 0.25 -0.01 -0.04 -0.04 6.97 7.13 3gzuB1 GLN 443 HE22 0.16 0.04 -0.00 -0.04 7.69 7.85 3gzuB1 ARG 444 H 0.07 0.26 0.29 -0.55 8.46 8.52 3gzuB1 ARG 444 HA 0.09 0.14 0.51 -0.75 4.34 4.33 3gzuB1 ARG 444 HB2 0.07 -0.08 0.09 -0.04 1.90 1.94 3gzuB1 ARG 444 HB3 0.09 -0.04 0.18 -0.04 1.80 1.98 3gzuB1 ARG 444 HG2 0.01 0.19 -0.01 -0.04 1.67 1.82 3gzuB1 ARG 444 HG3 0.01 0.03 0.21 -0.04 1.67 1.88 3gzuB1 ARG 444 HD2 -0.01 0.05 0.11 -0.04 3.22 3.33 3gzuB1 ARG 444 HD3 0.02 -0.13 0.08 -0.04 3.22 3.15 3gzuB1 MET 445 H 0.17 -0.01 -0.75 -0.55 8.47 7.33 3gzuB1 MET 445 HA 0.14 0.17 0.59 -0.75 4.52 4.66 3gzuB1 MET 445 HB2 0.15 0.01 0.00 -0.04 2.15 2.27 3gzuB1 MET 445 HB3 0.10 -0.00 0.14 -0.04 2.03 2.22 3gzuB1 MET 445 HG2 0.09 -0.08 -0.07 -0.04 2.63 2.53 3gzuB1 MET 445 HG3 0.08 0.02 -0.00 -0.04 2.56 2.62 3gzuB1 MET 445 HE3 0.04 0.02 -0.08 -0.04 2.10 2.03 3gzuB1 HIS 446 H 0.30 0.14 -0.78 -0.55 8.41 7.52 3gzuB1 HIS 446 HA 0.13 0.17 0.30 -0.75 4.63 4.48 3gzuB1 HIS 446 HB2 0.07 -0.05 -0.24 -0.04 3.26 3.00 3gzuB1 HIS 446 HB3 0.07 0.02 -0.08 -0.04 3.20 3.17 3gzuB1 HIS 446 HD2 0.08 0.09 -0.17 -0.04 6.97 6.92 3gzuB1 HIS 446 HE1 0.07 -0.04 -0.04 -0.04 7.75 7.70 3gzuB1 TYR 447 H 0.18 0.88 0.66 -0.55 8.29 9.46 3gzuB1 TYR 447 HA -0.01 -0.07 0.32 -0.75 4.56 4.05 3gzuB1 TYR 447 HB2 -0.32 0.51 0.66 -0.04 3.06 3.87 3gzuB1 TYR 447 HB3 -0.09 -0.09 0.09 -0.04 2.98 2.85 3gzuB1 TYR 447 HD2 -0.07 -0.02 -0.11 -0.04 7.15 6.90 3gzuB1 TYR 447 HE2 -0.01 -0.05 -0.13 -0.04 6.85 6.62 3gzuB1 ARG 448 H -0.29 0.17 0.09 -0.55 8.46 7.88 3gzuB1 ARG 448 HA -0.10 0.22 1.08 -0.75 4.34 4.79 3gzuB1 ARG 448 HB2 -0.09 -0.03 0.15 -0.04 1.90 1.88 3gzuB1 ARG 448 HB3 -0.07 0.01 -0.02 -0.04 1.80 1.68 3gzuB1 ARG 448 HG2 -0.00 0.12 -0.24 -0.04 1.67 1.51 3gzuB1 ARG 448 HG3 -0.00 -0.01 -0.16 -0.04 1.67 1.45 3gzuB1 ARG 448 HD2 0.00 0.01 -0.06 -0.04 3.22 3.14 3gzuB1 ARG 448 HD3 -0.01 -0.02 -0.02 -0.04 3.22 3.13 3gzuB1 ASN 449 H -0.13 0.28 0.08 -0.55 8.53 8.22 3gzuB1 ASN 449 HA -0.20 0.13 0.99 -0.75 4.76 4.92 3gzuB1 ASN 449 HB2 -0.24 0.02 -0.13 -0.04 2.88 2.49 3gzuB1 ASN 449 HB3 -0.04 0.05 -0.01 -0.04 2.79 2.75 3gzuB1 ASN 449 HD21 0.00 0.04 -0.53 -0.04 7.03 6.51 3gzuB1 ASN 449 HD22 -0.01 0.04 -0.58 -0.04 7.74 7.15 3gzuB1 GLY 450 H -0.07 0.05 0.12 -0.55 8.43 7.99 3gzuB1 GLY 450 HA2 -0.03 0.20 0.81 -0.51 4.01 4.48 3gzuB1 GLY 450 HA3 -0.03 0.01 0.29 -0.51 4.01 3.77 3gzuB1 ASP 451 H -0.03 -0.00 0.09 -0.55 8.40 7.92 3gzuB1 ASP 451 HA -0.01 0.02 0.22 -0.75 4.63 4.11 3gzuB1 ASP 451 HB2 -0.01 0.24 -0.14 -0.04 2.71 2.76 3gzuB1 ASP 451 HB3 -0.01 -0.03 0.12 -0.04 2.70 2.74 3gzuB1 PRO 452 HA -0.01 0.14 0.41 -0.51 4.44 4.47 3gzuB1 PRO 452 HB2 0.01 -0.01 -0.01 -0.04 2.28 2.23 3gzuB1 PRO 452 HB3 -0.00 0.09 0.11 -0.04 2.02 2.17 3gzuB1 PRO 452 HG2 -0.03 0.11 0.03 -0.04 2.03 2.10 3gzuB1 PRO 452 HG3 -0.03 0.06 0.06 -0.04 2.03 2.08 3gzuB1 PRO 452 HD2 -0.01 0.16 0.03 -0.04 3.68 3.82 3gzuB1 PRO 452 HD3 -0.03 -0.35 0.22 -0.04 3.65 3.45 3gzuB1 GLN 453 H 0.01 0.18 -0.05 -0.55 8.47 8.07 3gzuB1 GLN 453 HA 0.00 0.21 0.91 -0.75 4.36 4.73 3gzuB1 GLN 453 HB2 0.00 -0.03 0.17 -0.04 2.15 2.25 3gzuB1 GLN 453 HB3 -0.00 0.05 0.09 -0.04 2.02 2.11 3gzuB1 GLN 453 HG2 -0.01 0.01 -0.01 -0.04 2.40 2.35 3gzuB1 GLN 453 HG3 -0.01 0.15 -0.07 -0.04 2.39 2.42 3gzuB1 GLN 453 HE21 -0.00 -0.02 -0.04 -0.04 6.97 6.88 3gzuB1 GLN 453 HE22 -0.00 0.02 -0.03 -0.04 7.69 7.64 3gzuB1 THR 454 H 0.02 0.19 -0.12 -0.55 8.28 7.82 3gzuB1 THR 454 HA 0.03 0.08 0.32 -0.75 4.39 4.07 3gzuB1 THR 454 HB 0.01 0.15 0.46 -0.04 4.32 4.90 3gzuB1 THR 454 HG23 0.04 -0.09 -0.01 -0.04 1.22 1.11 3gzuB1 PRO 455 HA 0.17 0.07 0.27 -0.51 4.44 4.44 3gzuB1 PRO 455 HB2 0.17 0.06 -0.02 -0.04 2.28 2.44 3gzuB1 PRO 455 HB3 0.30 0.05 -0.04 -0.04 2.02 2.29 3gzuB1 PRO 455 HG2 0.07 0.10 -0.05 -0.04 2.03 2.11 3gzuB1 PRO 455 HG3 0.06 -0.01 -0.09 -0.04 2.03 1.95 3gzuB1 PRO 455 HD2 0.06 0.16 0.10 -0.04 3.68 3.97 3gzuB1 PRO 455 HD3 0.04 -0.02 0.01 -0.04 3.65 3.63 3gzuB1 PHE 456 H 0.19 0.10 -0.25 -0.55 8.34 7.83 3gzuB1 PHE 456 HA -0.04 0.05 0.20 -0.75 4.62 4.07 3gzuB1 PHE 456 HB2 -0.04 -0.02 0.02 -0.04 3.15 3.07 3gzuB1 PHE 456 HB3 -0.06 0.02 -0.09 -0.04 3.06 2.89 3gzuB1 PHE 456 HD2 -0.06 -0.03 -0.12 -0.04 7.28 7.03 3gzuB1 PHE 456 HE2 -0.02 0.01 -0.08 -0.04 7.38 7.26 3gzuB1 PHE 456 HZ 0.67 0.01 -0.07 -0.04 7.32 7.88 3gzuB1 GLN 457 H 0.07 0.08 -0.45 -0.55 8.47 7.62 3gzuB1 GLN 457 HA -0.14 0.09 0.37 -0.75 4.36 3.93 3gzuB1 GLN 457 HB2 -0.04 0.04 0.12 -0.04 2.15 2.23 3gzuB1 GLN 457 HB3 -0.01 0.21 0.27 -0.04 2.02 2.45 3gzuB1 GLN 457 HG2 -0.09 0.06 0.03 -0.04 2.40 2.36 3gzuB1 GLN 457 HG3 -0.07 -0.09 0.02 -0.04 2.39 2.21 3gzuB1 GLN 457 HE21 -0.98 -0.05 -0.17 -0.04 6.97 5.74 3gzuB1 GLN 457 HE22 -0.37 0.06 -0.06 -0.04 7.69 7.28 3gzuB1 ILE 458 H -0.01 0.27 0.08 -0.55 8.25 8.03 3gzuB1 ILE 458 HA -0.01 -0.05 0.31 -0.75 4.18 3.68 3gzuB1 ILE 458 HB 0.06 -0.03 -0.01 -0.04 1.89 1.87 3gzuB1 ILE 458 HG12 0.17 -0.09 -0.10 -0.04 1.49 1.42 3gzuB1 ILE 458 HG13 0.12 0.12 -0.25 -0.04 1.21 1.16 3gzuB1 ILE 458 HG23 0.03 0.04 0.01 -0.04 0.93 0.97 3gzuB1 ILE 458 HD13 0.30 0.01 -0.40 -0.04 0.88 0.75 3gzuB1 ALA 459 H -0.03 0.24 -0.70 -0.55 8.40 7.36 3gzuB1 ALA 459 HA 0.12 -0.08 0.33 -0.75 4.34 3.96 3gzuB1 ALA 459 HB3 -0.11 0.03 0.10 -0.04 1.41 1.39 3gzuB1 GLU 460 H -0.10 0.53 -0.43 -0.55 8.60 8.05 3gzuB1 GLU 460 HA -0.06 0.01 0.28 -0.75 4.29 3.77 3gzuB1 GLU 460 HB2 -0.18 0.05 -0.06 -0.04 2.09 1.87 3gzuB1 GLU 460 HB3 -0.12 -0.18 -0.00 -0.04 1.99 1.65 3gzuB1 GLU 460 HG2 -0.03 0.04 0.03 -0.04 2.34 2.35 3gzuB1 GLU 460 HG3 -0.14 -0.04 -0.04 -0.04 2.34 2.09 3gzuB1 GLN 461 H -0.02 0.08 -0.05 -0.55 8.47 7.93 3gzuB1 GLN 461 HA 0.02 -0.03 0.32 -0.75 4.36 3.91 3gzuB1 GLN 461 HB2 0.02 0.13 -0.00 -0.04 2.15 2.27 3gzuB1 GLN 461 HB3 0.03 -0.03 0.04 -0.04 2.02 2.01 3gzuB1 GLN 461 HG2 0.04 -0.02 0.06 -0.04 2.40 2.44 3gzuB1 GLN 461 HG3 0.01 -0.05 0.08 -0.04 2.39 2.38 3gzuB1 GLN 461 HE21 0.02 -0.01 0.03 -0.04 6.97 6.96 3gzuB1 GLN 461 HE22 0.00 -0.03 0.04 -0.04 7.69 7.66 3gzuB1 GLN 462 H 0.01 0.30 -0.98 -0.55 8.47 7.26 3gzuB1 GLN 462 HA 0.01 0.12 0.94 -0.75 4.36 4.68 3gzuB1 GLN 462 HB2 0.02 -0.08 0.19 -0.04 2.15 2.24 3gzuB1 GLN 462 HB3 0.04 -0.05 -0.10 -0.04 2.02 1.87 3gzuB1 GLN 462 HG2 0.06 0.14 -0.12 -0.04 2.40 2.44 3gzuB1 GLN 462 HG3 0.06 0.03 0.02 -0.04 2.39 2.46 3gzuB1 GLN 462 HE21 0.13 -0.08 -0.10 -0.04 6.97 6.88 3gzuB1 GLN 462 HE22 0.11 0.13 -0.20 -0.04 7.69 7.69 3gzuB1 ILE 463 H -0.01 0.45 0.11 -0.55 8.25 8.25 3gzuB1 ILE 463 HA -0.00 0.14 1.03 -0.75 4.18 4.60 3gzuB1 ILE 463 HB -0.03 -0.04 0.08 -0.04 1.89 1.85 3gzuB1 ILE 463 HG12 -0.12 -0.01 -0.07 -0.04 1.49 1.24 3gzuB1 ILE 463 HG13 -0.04 0.55 -0.12 -0.04 1.21 1.55 3gzuB1 ILE 463 HG23 -0.01 -0.06 -0.22 -0.04 0.93 0.61 3gzuB1 ILE 463 HD13 -0.08 -0.05 -0.17 -0.04 0.88 0.53 3gzuB1 GLN 464 H 0.09 0.22 0.04 -0.55 8.47 8.28 3gzuB1 GLN 464 HA 0.09 0.16 0.85 -0.75 4.36 4.71 3gzuB1 GLN 464 HB2 0.01 0.04 0.21 -0.04 2.15 2.38 3gzuB1 GLN 464 HB3 0.05 -0.01 0.10 -0.04 2.02 2.11 3gzuB1 GLN 464 HG2 0.01 0.02 -0.11 -0.04 2.40 2.28 3gzuB1 GLN 464 HG3 -0.00 0.01 -0.02 -0.04 2.39 2.34 3gzuB1 GLN 464 HE21 0.03 0.07 -0.18 -0.04 6.97 6.84 3gzuB1 GLN 464 HE22 0.02 -0.07 -0.56 -0.04 7.69 7.03 3gzuB1 ASN 465 H 0.12 0.32 -0.28 -0.55 8.53 8.14 3gzuB1 ASN 465 HA 0.20 0.07 0.41 -0.75 4.76 4.68 3gzuB1 ASN 465 HB2 0.42 0.29 0.07 -0.04 2.88 3.62 3gzuB1 ASN 465 HB3 0.12 -0.05 0.00 -0.04 2.79 2.82 3gzuB1 ASN 465 HD21 0.14 0.02 0.02 -0.04 7.03 7.17 3gzuB1 ASN 465 HD22 0.17 0.07 0.10 -0.04 7.74 8.04 3gzuB1 PHE 466 H 0.49 0.21 0.07 -0.55 8.34 8.56 3gzuB1 PHE 466 HA 0.05 0.07 0.31 -0.75 4.62 4.29 3gzuB1 PHE 466 HB2 0.04 -0.00 0.13 -0.04 3.15 3.27 3gzuB1 PHE 466 HB3 0.04 0.06 -0.05 -0.04 3.06 3.06 3gzuB1 PHE 466 HD2 0.03 -0.03 0.01 -0.04 7.28 7.25 3gzuB1 PHE 466 HE2 0.02 0.02 -0.01 -0.04 7.38 7.37 3gzuB1 PHE 466 HZ 0.02 0.02 -0.01 -0.04 7.32 7.30 3gzuB1 GLN 467 H 0.18 0.11 -0.17 -0.55 8.47 8.05 3gzuB1 GLN 467 HA 0.10 0.02 0.35 -0.75 4.36 4.07 3gzuB1 GLN 467 HB2 0.03 0.02 0.08 -0.04 2.15 2.24 3gzuB1 GLN 467 HB3 0.03 0.03 -0.05 -0.04 2.02 1.99 3gzuB1 GLN 467 HG2 0.11 -0.10 0.01 -0.04 2.40 2.38 3gzuB1 GLN 467 HG3 0.06 0.14 -0.06 -0.04 2.39 2.48 3gzuB1 GLN 467 HE21 0.05 -0.01 -0.05 -0.04 6.97 6.92 3gzuB1 GLN 467 HE22 0.04 0.08 -0.07 -0.04 7.69 7.70 3gzuB1 VAL 468 H -0.02 0.18 -0.11 -0.55 8.24 7.75 3gzuB1 VAL 468 HA -0.11 0.00 0.31 -0.75 4.13 3.58 3gzuB1 VAL 468 HB -0.12 0.10 0.07 -0.04 2.12 2.14 3gzuB1 VAL 468 HG13 -0.19 -0.01 -0.16 -0.04 0.97 0.56 3gzuB1 VAL 468 HG23 -0.42 -0.00 0.03 -0.04 0.95 0.51 3gzuB1 ALA 469 H -0.01 0.32 -0.33 -0.55 8.40 7.83 3gzuB1 ALA 469 HA -0.01 -0.01 0.28 -0.75 4.34 3.85 3gzuB1 ALA 469 HB3 -0.18 -0.01 -0.00 -0.04 1.41 1.18 3gzuB1 ASN 470 H 0.08 0.65 -0.11 -0.55 8.53 8.60 3gzuB1 ASN 470 HA 0.10 0.02 0.60 -0.75 4.76 4.73 3gzuB1 ASN 470 HB2 0.12 0.13 0.11 -0.04 2.88 3.21 3gzuB1 ASN 470 HB3 0.13 -0.04 -0.05 -0.04 2.79 2.79 3gzuB1 ASN 470 HD21 0.14 -0.04 -0.08 -0.04 7.03 7.02 3gzuB1 ASN 470 HD22 0.14 0.03 -0.13 -0.04 7.74 7.74 3gzuB1 TRP 471 H 0.34 0.43 -0.01 -0.55 7.97 8.17 3gzuB1 TRP 471 HA 0.17 -0.01 0.29 -0.75 4.62 4.32 3gzuB1 TRP 471 HB2 0.05 0.10 0.16 -0.04 3.23 3.49 3gzuB1 TRP 471 HB3 0.05 0.02 0.06 -0.04 3.23 3.32 3gzuB1 TRP 471 HD1 0.11 -0.05 -0.06 -0.04 7.22 7.19 3gzuB1 TRP 471 HE1 0.15 -0.01 0.02 -0.04 10.20 10.31 3gzuB1 TRP 471 HE3 0.13 0.01 -0.12 -0.04 7.59 7.57 3gzuB1 TRP 471 HZ2 0.15 0.10 -0.08 -0.04 7.44 7.57 3gzuB1 TRP 471 HZ3 0.59 -0.03 -0.07 -0.04 7.13 7.57 3gzuB1 TRP 471 HH2 0.13 -0.11 0.03 -0.04 7.19 7.20 3gzuB1 LEU 472 H 0.27 0.38 -0.28 -0.55 8.37 8.20 3gzuB1 LEU 472 HA 0.06 0.02 0.28 -0.75 4.35 3.95 3gzuB1 LEU 472 HB2 -0.01 0.10 0.06 -0.04 1.64 1.74 3gzuB1 LEU 472 HB3 -0.12 -0.03 0.01 -0.04 1.64 1.46 3gzuB1 LEU 472 HG 0.18 0.17 0.07 -0.04 1.64 2.01 3gzuB1 LEU 472 HD13 -0.05 -0.03 -0.18 -0.04 0.93 0.62 3gzuB1 LEU 472 HD23 -0.07 0.02 -0.04 -0.04 0.89 0.76 3gzuB1 HIS 473 H 0.14 0.34 -0.11 -0.55 8.41 8.25 3gzuB1 HIS 473 HA 0.00 0.01 0.36 -0.75 4.63 4.25 3gzuB1 HIS 473 HB2 0.03 0.10 0.17 -0.04 3.26 3.53 3gzuB1 HIS 473 HB3 0.05 -0.03 -0.03 -0.04 3.20 3.14 3gzuB1 HIS 473 HD2 0.00 0.00 -0.01 -0.04 6.97 6.92 3gzuB1 HIS 473 HE1 -0.01 -0.02 -0.03 -0.04 7.75 7.64 3gzuB1 PHE 474 H 0.25 0.60 -0.08 -0.55 8.34 8.56 3gzuB1 PHE 474 HA 0.01 -0.09 0.38 -0.75 4.62 4.17 3gzuB1 PHE 474 HB2 0.03 -0.09 0.06 -0.04 3.15 3.11 3gzuB1 PHE 474 HB3 -0.05 0.17 0.09 -0.04 3.06 3.22 3gzuB1 PHE 474 HD2 -0.07 -0.00 -0.02 -0.04 7.28 7.15 3gzuB1 PHE 474 HE2 -0.01 0.06 0.05 -0.04 7.38 7.44 3gzuB1 PHE 474 HZ 0.02 -0.07 0.04 -0.04 7.32 7.27 3gzuB1 VAL 475 H -0.12 0.75 -0.14 -0.55 8.24 8.18 3gzuB1 VAL 475 HA -0.55 0.15 0.31 -0.75 4.13 3.29 3gzuB1 VAL 475 HB -0.11 -0.02 -0.03 -0.04 2.12 1.92 3gzuB1 VAL 475 HG13 -0.47 0.03 -0.19 -0.04 0.97 0.29 3gzuB1 VAL 475 HG23 -0.97 0.16 -0.07 -0.04 0.95 0.03 3gzuB1 ASN 476 H -0.09 0.59 -0.09 -0.55 8.53 8.40 3gzuB1 ASN 476 HA -0.07 -0.00 0.37 -0.75 4.76 4.31 3gzuB1 ASN 476 HB2 -0.07 0.22 0.10 -0.04 2.88 3.08 3gzuB1 ASN 476 HB3 -0.08 -0.04 0.00 -0.04 2.79 2.63 3gzuB1 ASN 476 HD21 -0.01 -0.07 0.08 -0.04 7.03 6.99 3gzuB1 ASN 476 HD22 -0.04 0.04 0.08 -0.04 7.74 7.77 3gzuB1 ASN 477 H -0.20 0.23 -1.11 -0.55 8.53 6.91 3gzuB1 ASN 477 HA -0.06 0.06 0.75 -0.75 4.76 4.76 3gzuB1 ASN 477 HB2 -0.06 0.17 0.21 -0.04 2.88 3.16 3gzuB1 ASN 477 HB3 -0.03 -0.26 0.24 -0.04 2.79 2.70 3gzuB1 ASN 477 HD21 0.08 -0.07 -0.03 -0.04 7.03 6.97 3gzuB1 ASN 477 HD22 0.00 0.02 0.09 -0.04 7.74 7.81 3gzuB1 ASN 478 H -0.15 0.05 0.20 -0.55 8.53 8.08 3gzuB1 ASN 478 HA -0.13 -0.15 0.43 -0.75 4.76 4.15 3gzuB1 ASN 478 HB2 -0.58 -0.13 0.18 -0.04 2.88 2.31 3gzuB1 ASN 478 HB3 -0.87 0.41 -0.19 -0.04 2.79 2.10 3gzuB1 ASN 478 HD21 -0.22 0.15 -0.14 -0.04 7.03 6.78 3gzuB1 ASN 478 HD22 -0.20 -0.11 0.09 -0.04 7.74 7.48 3gzuB1 GLN 479 H -0.07 -0.06 -0.61 -0.55 8.47 7.19 3gzuB1 GLN 479 HA -0.05 0.15 0.14 -0.75 4.36 3.86 3gzuB1 GLN 479 HB2 -0.01 -0.12 -0.01 -0.04 2.15 1.96 3gzuB1 GLN 479 HB3 -0.01 0.04 0.12 -0.04 2.02 2.12 3gzuB1 GLN 479 HG2 -0.06 -0.02 -0.03 -0.04 2.40 2.26 3gzuB1 GLN 479 HG3 -0.03 -0.05 0.04 -0.04 2.39 2.31 3gzuB1 GLN 479 HE21 -0.06 -0.08 -0.01 -0.04 6.97 6.77 3gzuB1 GLN 479 HE22 -0.08 0.26 -0.08 -0.04 7.69 7.75 3gzuB1 PHE 480 H 0.07 0.51 -0.75 -0.55 8.34 7.62 3gzuB1 PHE 480 HA -0.02 0.06 0.34 -0.75 4.62 4.24 3gzuB1 PHE 480 HB2 -0.03 -0.04 -0.10 -0.04 3.15 2.94 3gzuB1 PHE 480 HB3 0.01 0.14 0.22 -0.04 3.06 3.38 3gzuB1 PHE 480 HD2 0.04 -0.09 0.06 -0.04 7.28 7.25 3gzuB1 PHE 480 HE2 -0.05 -0.06 -0.03 -0.04 7.38 7.20 3gzuB1 PHE 480 HZ 0.02 0.04 -0.05 -0.04 7.32 7.29 3gzuB1 ARG 481 H 0.01 -0.10 -0.28 -0.55 8.46 7.54 3gzuB1 ARG 481 HA -0.02 -0.04 0.17 -0.75 4.34 3.70 3gzuB1 ARG 481 HB2 -0.05 0.02 -0.09 -0.04 1.90 1.74 3gzuB1 ARG 481 HB3 -0.02 0.02 0.00 -0.04 1.80 1.76 3gzuB1 ARG 481 HG2 0.00 0.03 -0.00 -0.04 1.67 1.66 3gzuB1 ARG 481 HG3 0.01 -0.06 0.01 -0.04 1.67 1.59 3gzuB1 ARG 481 HD2 0.03 -0.09 -0.02 -0.04 3.22 3.10 3gzuB1 ARG 481 HD3 0.02 0.05 -0.01 -0.04 3.22 3.24 3gzuB1 GLN 482 H -0.01 0.07 -0.13 -0.55 8.47 7.86 3gzuB1 GLN 482 HA -0.09 0.07 0.58 -0.75 4.36 4.17 3gzuB1 GLN 482 HB2 0.05 -0.05 0.23 -0.04 2.15 2.34 3gzuB1 GLN 482 HB3 0.10 0.18 0.16 -0.04 2.02 2.42 3gzuB1 GLN 482 HG2 0.01 -0.05 0.05 -0.04 2.40 2.37 3gzuB1 GLN 482 HG3 0.00 -0.06 0.14 -0.04 2.39 2.43 3gzuB1 GLN 482 HE21 -0.03 -0.01 0.03 -0.04 6.97 6.93 3gzuB1 GLN 482 HE22 -0.01 -0.03 0.02 -0.04 7.69 7.63 3gzuB1 VAL 483 H -0.06 0.51 0.07 -0.55 8.24 8.21 3gzuB1 VAL 483 HA -0.01 0.12 0.73 -0.75 4.13 4.21 3gzuB1 VAL 483 HB -0.02 -0.04 -0.00 -0.04 2.12 2.02 3gzuB1 VAL 483 HG13 -0.01 -0.01 -0.12 -0.04 0.97 0.79 3gzuB1 VAL 483 HG23 -0.01 -0.01 -0.36 -0.04 0.95 0.53 3gzuB1 VAL 484 H -0.01 0.26 0.08 -0.55 8.24 8.02 3gzuB1 VAL 484 HA -0.01 0.11 0.59 -0.75 4.13 4.07 3gzuB1 VAL 484 HB -0.02 -0.12 -0.13 -0.04 2.12 1.81 3gzuB1 VAL 484 HG13 -0.01 -0.00 -0.17 -0.04 0.97 0.75 3gzuB1 VAL 484 HG23 -0.03 0.00 -0.27 -0.04 0.95 0.61 3gzuB1 ILE 485 H -0.00 0.21 -0.06 -0.55 8.25 7.85 3gzuB1 ILE 485 HA 0.00 0.10 0.62 -0.75 4.18 4.15 3gzuB1 ILE 485 HB 0.00 0.02 0.14 -0.04 1.89 2.01 3gzuB1 ILE 485 HG12 0.01 0.10 -0.10 -0.04 1.49 1.46 3gzuB1 ILE 485 HG13 0.00 -0.16 -0.76 -0.04 1.21 0.25 3gzuB1 ILE 485 HG23 0.00 -0.01 0.04 -0.04 0.93 0.92 3gzuB1 ILE 485 HD13 0.00 0.01 -0.06 -0.04 0.88 0.79 3gzuB1 ASP 486 H -0.01 0.28 -0.07 -0.55 8.40 8.05 3gzuB1 ASP 486 HA -0.01 0.21 0.92 -0.75 4.63 5.00 3gzuB1 ASP 486 HB2 -0.02 -0.03 0.10 -0.04 2.71 2.73 3gzuB1 ASP 486 HB3 -0.01 -0.02 0.01 -0.04 2.70 2.64 3gzuB1 GLY 487 H -0.02 0.15 0.13 -0.55 8.43 8.14 3gzuB1 GLY 487 HA2 -0.02 0.01 0.34 -0.51 4.01 3.83 3gzuB1 GLY 487 HA3 -0.03 0.06 0.34 -0.51 4.01 3.87 3gzuB1 VAL 488 H -0.01 -0.16 -1.12 -0.55 8.24 6.40 3gzuB1 VAL 488 HA -0.00 -0.13 0.26 -0.75 4.13 3.51 3gzuB1 VAL 488 HB -0.01 0.31 0.60 -0.04 2.12 2.98 3gzuB1 VAL 488 HG13 0.00 -0.02 -0.04 -0.04 0.97 0.86 3gzuB1 VAL 488 HG23 -0.00 -0.05 -0.27 -0.04 0.95 0.58 3gzuB1 LEU 489 H 0.00 -0.02 -0.00 -0.55 8.37 7.80 3gzuB1 LEU 489 HA 0.01 -0.10 0.33 -0.75 4.35 3.83 3gzuB1 LEU 489 HB2 0.01 0.09 -0.54 -0.04 1.64 1.16 3gzuB1 LEU 489 HB3 0.02 0.11 0.33 -0.04 1.64 2.06 3gzuB1 LEU 489 HG 0.02 -0.06 0.00 -0.04 1.64 1.56 3gzuB1 LEU 489 HD13 0.02 0.01 0.01 -0.04 0.93 0.93 3gzuB1 LEU 489 HD23 0.03 -0.02 0.07 -0.04 0.89 0.92 3gzuB1 ASN 490 H 0.00 -0.04 -0.09 -0.55 8.53 7.86 3gzuB1 ASN 490 HA 0.03 0.39 1.20 -0.75 4.76 5.62 3gzuB1 ASN 490 HB2 -0.01 -0.15 -0.04 -0.04 2.88 2.65 3gzuB1 ASN 490 HB3 0.01 0.07 0.01 -0.04 2.79 2.84 3gzuB1 ASN 490 HD21 -0.02 0.03 -0.13 -0.04 7.03 6.86 3gzuB1 ASN 490 HD22 -0.01 -0.14 -0.31 -0.04 7.74 7.23 3gzuB1 GLN 491 H 0.03 0.15 -0.13 -0.55 8.47 7.98 3gzuB1 GLN 491 HA 0.02 0.29 0.45 -0.75 4.36 4.36 3gzuB1 GLN 491 HB2 0.04 -0.02 0.11 -0.04 2.15 2.23 3gzuB1 GLN 491 HB3 0.02 -0.01 0.17 -0.04 2.02 2.16 3gzuB1 GLN 491 HG2 0.05 0.09 0.14 -0.04 2.40 2.64 3gzuB1 GLN 491 HG3 0.07 0.07 0.23 -0.04 2.39 2.72 3gzuB1 GLN 491 HE21 -0.01 -0.03 0.02 -0.04 6.97 6.91 3gzuB1 GLN 491 HE22 0.02 0.04 0.05 -0.04 7.69 7.76 3gzuB1 VAL 492 H 0.01 0.06 0.14 -0.55 8.24 7.90 3gzuB1 VAL 492 HA 0.09 0.32 1.03 -0.75 4.13 4.80 3gzuB1 VAL 492 HB -0.02 -0.13 0.11 -0.04 2.12 2.04 3gzuB1 VAL 492 HG13 0.08 0.04 -0.08 -0.04 0.97 0.96 3gzuB1 VAL 492 HG23 0.01 0.17 -0.21 -0.04 0.95 0.87 3gzuB1 LEU 493 H 0.05 0.16 -0.19 -0.55 8.37 7.84 3gzuB1 LEU 493 HA -0.14 -0.22 0.34 -0.75 4.35 3.59 3gzuB1 LEU 493 HB2 0.11 0.07 0.08 -0.04 1.64 1.86 3gzuB1 LEU 493 HB3 -0.31 0.17 0.09 -0.04 1.64 1.54 3gzuB1 LEU 493 HG 0.19 0.19 0.11 -0.04 1.64 2.09 3gzuB1 LEU 493 HD13 0.44 -0.03 0.09 -0.04 0.93 1.39 3gzuB1 LEU 493 HD23 0.06 -0.08 0.07 -0.04 0.89 0.90 3gzuB1 ASN 494 H -0.19 -0.05 0.07 -0.55 8.53 7.82 3gzuB1 ASN 494 HA -0.05 0.27 0.72 -0.75 4.76 4.95 3gzuB1 ASN 494 HB2 -0.05 -0.03 0.03 -0.04 2.88 2.80 3gzuB1 ASN 494 HB3 -0.06 -0.04 0.01 -0.04 2.79 2.66 3gzuB1 ASN 494 HD21 0.08 0.00 0.04 -0.04 7.03 7.11 3gzuB1 ASN 494 HD22 0.02 -0.04 0.01 -0.04 7.74 7.69 3gzuB1 ASP 495 H 0.06 0.20 0.14 -0.55 8.40 8.25 3gzuB1 ASP 495 HA 0.01 0.01 0.72 -0.75 4.63 4.61 3gzuB1 ASP 495 HB2 0.14 0.15 -0.08 -0.04 2.71 2.88 3gzuB1 ASP 495 HB3 0.19 0.04 -0.04 -0.04 2.70 2.85 3gzuB1 ASN 496 H 0.09 0.13 0.12 -0.55 8.53 8.33 3gzuB1 ASN 496 HA 0.07 0.01 0.34 -0.75 4.76 4.42 3gzuB1 ASN 496 HB2 0.20 0.02 0.09 -0.04 2.88 3.14 3gzuB1 ASN 496 HB3 0.14 -0.15 -0.01 -0.04 2.79 2.73 3gzuB1 ASN 496 HD21 0.34 0.04 0.10 -0.04 7.03 7.47 3gzuB1 ASN 496 HD22 0.30 -0.07 0.06 -0.04 7.74 7.99 3gzuB1 ILE 497 H -0.00 0.14 0.16 -0.55 8.25 7.99 3gzuB1 ILE 497 HA -0.20 0.15 0.46 -0.75 4.18 3.83 3gzuB1 ILE 497 HB -0.12 -0.06 0.08 -0.04 1.89 1.75 3gzuB1 ILE 497 HG12 -0.24 0.09 0.08 -0.04 1.49 1.38 3gzuB1 ILE 497 HG13 -0.08 -0.08 0.16 -0.04 1.21 1.17 3gzuB1 ILE 497 HG23 -0.67 0.01 -0.01 -0.04 0.93 0.23 3gzuB1 ILE 497 HD13 -0.13 0.02 0.03 -0.04 0.88 0.76 3gzuB1 ARG 498 H 0.02 0.05 -0.07 -0.55 8.46 7.90 3gzuB1 ARG 498 HA 0.03 0.03 0.20 -0.75 4.34 3.84 3gzuB1 ARG 498 HB2 0.09 -0.11 0.05 -0.04 1.90 1.89 3gzuB1 ARG 498 HB3 -0.01 0.11 -0.08 -0.04 1.80 1.78 3gzuB1 ARG 498 HG2 0.01 -0.01 0.05 -0.04 1.67 1.67 3gzuB1 ARG 498 HG3 -0.10 0.07 -0.01 -0.04 1.67 1.59 3gzuB1 ARG 498 HD2 -0.06 -0.02 -0.07 -0.04 3.22 3.03 3gzuB1 ARG 498 HD3 -0.02 -0.04 0.00 -0.04 3.22 3.13 3gzuB1 ASP 499 H 0.17 0.01 -0.25 -0.55 8.40 7.78 3gzuB1 ASP 499 HA 0.18 0.00 0.34 -0.75 4.63 4.40 3gzuB1 ASP 499 HB2 0.24 -0.09 0.12 -0.04 2.71 2.93 3gzuB1 ASP 499 HB3 0.20 0.02 0.09 -0.04 2.70 2.97 3gzuB1 GLY 500 H 0.27 0.40 -0.06 -0.55 8.43 8.49 3gzuB1 GLY 500 HA2 0.29 -0.01 0.36 -0.51 4.01 4.15 3gzuB1 GLY 500 HA3 0.78 -0.05 0.48 -0.51 4.01 4.71 3gzuB1 HIS 501 H 0.64 0.07 0.09 -0.55 8.41 8.66 3gzuB1 HIS 501 HA 0.15 0.22 0.89 -0.75 4.63 5.14 3gzuB1 HIS 501 HB2 0.10 0.01 -0.09 -0.04 3.26 3.24 3gzuB1 HIS 501 HB3 0.28 -0.11 0.05 -0.04 3.20 3.38 3gzuB1 HIS 501 HD2 0.01 -0.06 -0.04 -0.04 6.97 6.84 3gzuB1 HIS 501 HE1 0.03 0.06 -0.01 -0.04 7.75 7.79 3gzuB1 VAL 502 H 0.24 0.59 -0.04 -0.55 8.24 8.48 3gzuB1 VAL 502 HA 0.13 0.06 0.64 -0.75 4.13 4.22 3gzuB1 VAL 502 HB 0.06 0.08 0.12 -0.04 2.12 2.34 3gzuB1 VAL 502 HG13 0.02 -0.03 0.03 -0.04 0.97 0.95 3gzuB1 VAL 502 HG23 0.03 0.00 -0.25 -0.04 0.95 0.69 3gzuB1 ILE 503 H 0.15 0.63 0.01 -0.55 8.25 8.49 3gzuB1 ILE 503 HA 0.11 0.15 0.39 -0.75 4.18 4.07 3gzuB1 ILE 503 HB 0.07 0.10 -0.29 -0.04 1.89 1.73 3gzuB1 ILE 503 HG12 -0.01 0.08 -0.02 -0.04 1.49 1.50 3gzuB1 ILE 503 HG13 0.11 -0.20 -0.44 -0.04 1.21 0.64 3gzuB1 ILE 503 HG23 0.02 -0.04 -0.17 -0.04 0.93 0.70 3gzuB1 ILE 503 HD13 -0.27 -0.01 -0.09 -0.04 0.88 0.47 3gzuB1 ASN 504 H 0.06 1.34 0.67 -0.55 8.53 10.05 3gzuB1 ASN 504 HA 0.03 -0.02 0.41 -0.75 4.76 4.42 3gzuB1 ASN 504 HB2 -0.01 -0.07 -0.08 -0.04 2.88 2.68 3gzuB1 ASN 504 HB3 0.00 -0.04 -0.03 -0.04 2.79 2.68 3gzuB1 ASN 504 HD21 0.03 0.02 0.09 -0.04 7.03 7.14 3gzuB1 ASN 504 HD22 0.03 -0.11 0.12 -0.04 7.74 7.74 3gzuB1 GLN 505 H -0.02 0.06 -0.73 -0.55 8.47 7.22 3gzuB1 GLN 505 HA -0.10 -0.03 0.28 -0.75 4.36 3.76 3gzuB1 GLN 505 HB2 0.15 0.09 -0.05 -0.04 2.15 2.30 3gzuB1 GLN 505 HB3 -0.06 0.05 0.02 -0.04 2.02 1.99 3gzuB1 GLN 505 HG2 0.02 -0.07 -0.35 -0.04 2.40 1.95 3gzuB1 GLN 505 HG3 0.12 0.07 -0.09 -0.04 2.39 2.45 3gzuB1 GLN 505 HE21 -0.55 -0.04 -0.08 -0.04 6.97 6.27 3gzuB1 GLN 505 HE22 -0.33 -0.05 -0.09 -0.04 7.69 7.18 3gzuB1 LEU 506 H 0.09 1.02 -0.14 -0.55 8.37 8.78 3gzuB1 LEU 506 HA 0.14 0.06 0.39 -0.75 4.35 4.19 3gzuB1 LEU 506 HB2 0.06 0.07 0.03 -0.04 1.64 1.76 3gzuB1 LEU 506 HB3 0.02 -0.09 -0.09 -0.04 1.64 1.44 3gzuB1 LEU 506 HG -0.08 -0.01 -0.24 -0.04 1.64 1.27 3gzuB1 LEU 506 HD13 -0.22 -0.00 -0.08 -0.04 0.93 0.59 3gzuB1 LEU 506 HD23 -0.14 -0.06 -0.40 -0.04 0.89 0.25 3gzuB1 MET 507 H 0.03 0.06 -0.15 -0.55 8.47 7.88 3gzuB1 MET 507 HA 0.01 0.03 0.35 -0.75 4.52 4.15 3gzuB1 MET 507 HB2 0.02 0.03 0.16 -0.04 2.15 2.33 3gzuB1 MET 507 HB3 0.02 -0.04 0.03 -0.04 2.03 2.00 3gzuB1 MET 507 HG2 0.01 0.03 0.01 -0.04 2.63 2.64 3gzuB1 MET 507 HG3 0.02 -0.05 0.02 -0.04 2.56 2.51 3gzuB1 MET 507 HE3 0.01 0.01 0.00 -0.04 2.10 2.08 3gzuB1 GLU 508 H 0.06 0.79 -0.30 -0.55 8.60 8.61 3gzuB1 GLU 508 HA 0.06 0.00 0.54 -0.75 4.29 4.13 3gzuB1 GLU 508 HB2 0.04 -0.06 -0.08 -0.04 2.09 1.96 3gzuB1 GLU 508 HB3 0.11 0.16 0.01 -0.04 1.99 2.23 3gzuB1 GLU 508 HG2 0.17 0.03 -0.14 -0.04 2.34 2.36 3gzuB1 GLU 508 HG3 0.08 -0.06 0.02 -0.04 2.34 2.34 3gzuB1 ALA 509 H 0.18 0.62 -0.05 -0.55 8.40 8.60 3gzuB1 ALA 509 HA 0.24 -0.03 0.36 -0.75 4.34 4.15 3gzuB1 ALA 509 HB3 0.45 0.04 0.10 -0.04 1.41 1.96 3gzuB1 LEU 510 H 0.05 0.40 -0.46 -0.55 8.37 7.81 3gzuB1 LEU 510 HA -0.04 0.10 0.62 -0.75 4.35 4.27 3gzuB1 LEU 510 HB2 -0.02 0.05 0.01 -0.04 1.64 1.63 3gzuB1 LEU 510 HB3 -0.01 0.09 0.13 -0.04 1.64 1.81 3gzuB1 LEU 510 HG -0.04 -0.07 -0.31 -0.04 1.64 1.18 3gzuB1 LEU 510 HD13 -0.05 -0.01 -0.04 -0.04 0.93 0.79 3gzuB1 LEU 510 HD23 -0.03 0.01 -0.04 -0.04 0.89 0.79 3gzuB1 MET 511 H 0.01 0.68 0.06 -0.55 8.47 8.67 3gzuB1 MET 511 HA -0.01 -0.01 0.27 -0.75 4.52 4.02 3gzuB1 MET 511 HB2 0.01 0.11 0.18 -0.04 2.15 2.42 3gzuB1 MET 511 HB3 0.02 0.01 0.11 -0.04 2.03 2.14 3gzuB1 MET 511 HG2 0.02 -0.05 -0.11 -0.04 2.63 2.45 3gzuB1 MET 511 HG3 0.01 -0.01 0.06 -0.04 2.56 2.57 3gzuB1 MET 511 HE3 0.03 -0.01 -0.03 -0.04 2.10 2.05 3gzuB1 GLN 512 H -0.03 0.53 -0.52 -0.55 8.47 7.90 3gzuB1 GLN 512 HA -0.04 -0.09 0.32 -0.75 4.36 3.80 3gzuB1 GLN 512 HB2 -0.26 0.14 -0.07 -0.04 2.15 1.92 3gzuB1 GLN 512 HB3 -0.17 -0.09 -0.21 -0.04 2.02 1.50 3gzuB1 GLN 512 HG2 0.03 -0.30 -0.13 -0.04 2.40 1.96 3gzuB1 GLN 512 HG3 0.02 0.43 0.09 -0.04 2.39 2.89 3gzuB1 GLN 512 HE21 0.72 -0.07 -0.26 -0.04 6.97 7.32 3gzuB1 GLN 512 HE22 0.21 0.17 -1.74 -0.04 7.69 6.29 3gzuB1 LEU 513 H -0.13 0.43 -0.27 -0.55 8.37 7.86 3gzuB1 LEU 513 HA -0.16 0.00 0.43 -0.75 4.35 3.87 3gzuB1 LEU 513 HB2 -0.09 0.03 0.09 -0.04 1.64 1.62 3gzuB1 LEU 513 HB3 -0.11 -0.10 0.06 -0.04 1.64 1.45 3gzuB1 LEU 513 HG -0.16 0.62 0.44 -0.04 1.64 2.50 3gzuB1 LEU 513 HD13 -0.07 -0.07 -0.02 -0.04 0.93 0.72 3gzuB1 LEU 513 HD23 -0.28 -0.06 0.01 -0.04 0.89 0.51 3gzuB1 SER 514 H -0.06 0.46 -0.26 -0.55 8.46 8.06 3gzuB1 SER 514 HA -0.06 -0.01 0.26 -0.75 4.49 3.93 3gzuB1 SER 514 HB2 -0.03 0.11 0.08 -0.04 3.95 4.07 3gzuB1 SER 514 HB3 -0.02 -0.05 0.03 -0.04 3.93 3.85 3gzuB1 ARG 515 H -0.04 0.31 -0.95 -0.55 8.46 7.23 3gzuB1 ARG 515 HA -0.04 0.19 0.92 -0.75 4.34 4.66 3gzuB1 ARG 515 HB2 0.14 -0.04 0.14 -0.04 1.90 2.10 3gzuB1 ARG 515 HB3 0.05 -0.02 -0.16 -0.04 1.80 1.64 3gzuB1 ARG 515 HG2 0.06 0.12 0.03 -0.04 1.67 1.84 3gzuB1 ARG 515 HG3 0.23 -0.00 0.17 -0.04 1.67 2.02 3gzuB1 ARG 515 HD2 0.11 -0.15 0.02 -0.04 3.22 3.16 3gzuB1 ARG 515 HD3 0.16 -0.00 0.05 -0.04 3.22 3.39 3gzuB1 GLN 516 H -0.15 0.46 -0.23 -0.55 8.47 8.00 3gzuB1 GLN 516 HA 0.11 0.12 0.76 -0.75 4.36 4.59 3gzuB1 GLN 516 HB2 -0.10 0.02 0.28 -0.04 2.15 2.32 3gzuB1 GLN 516 HB3 0.02 -0.08 0.09 -0.04 2.02 2.01 3gzuB1 GLN 516 HG2 -0.13 -0.07 -0.02 -0.04 2.40 2.13 3gzuB1 GLN 516 HG3 -0.05 -0.00 -0.45 -0.04 2.39 1.84 3gzuB1 GLN 516 HE21 -0.28 -0.05 -0.19 -0.04 6.97 6.41 3gzuB1 GLN 516 HE22 -0.26 -0.02 -0.23 -0.04 7.69 7.14 3gzuB1 GLN 517 H -2.33 0.24 -0.24 -0.55 8.47 5.60 3gzuB1 GLN 517 HA -0.33 0.06 0.56 -0.75 4.36 3.89 3gzuB1 GLN 517 HB2 -0.42 -0.00 0.01 -0.04 2.15 1.70 3gzuB1 GLN 517 HB3 -0.24 -0.04 0.10 -0.04 2.02 1.79 3gzuB1 GLN 517 HG2 -0.15 -0.06 -0.03 -0.04 2.40 2.11 3gzuB1 GLN 517 HG3 -0.18 0.06 0.14 -0.04 2.39 2.37 3gzuB1 GLN 517 HE21 -0.12 0.29 0.01 -0.04 6.97 7.11 3gzuB1 GLN 517 HE22 -0.13 -0.01 0.07 -0.04 7.69 7.57 3gzuB1 PHE 518 H -0.07 0.27 0.14 -0.55 8.34 8.12 3gzuB1 PHE 518 HA 0.01 -0.03 0.40 -0.75 4.62 4.25 3gzuB1 PHE 518 HB2 -0.01 0.10 0.03 -0.04 3.15 3.23 3gzuB1 PHE 518 HB3 -0.00 -0.05 0.23 -0.04 3.06 3.20 3gzuB1 PHE 518 HD2 0.05 0.30 0.05 -0.04 7.28 7.64 3gzuB1 PHE 518 HE2 0.23 -0.02 0.01 -0.04 7.38 7.56 3gzuB1 PHE 518 HZ 0.25 0.53 0.14 -0.04 7.32 8.20 3gzuB1 PRO 519 HA 0.08 -0.03 0.37 -0.51 4.44 4.35 3gzuB1 PRO 519 HB2 0.03 0.06 0.04 -0.04 2.28 2.37 3gzuB1 PRO 519 HB3 0.05 -0.03 0.15 -0.04 2.02 2.15 3gzuB1 PRO 519 HG2 0.04 0.11 0.01 -0.04 2.03 2.16 3gzuB1 PRO 519 HG3 0.05 0.02 0.08 -0.04 2.03 2.14 3gzuB1 PRO 519 HD2 0.30 0.15 0.32 -0.04 3.68 4.41 3gzuB1 PRO 519 HD3 0.11 0.08 0.19 -0.04 3.65 3.99 3gzuB1 THR 520 H 0.04 0.07 0.09 -0.55 8.28 7.93 3gzuB1 THR 520 HA 0.03 -0.01 0.39 -0.75 4.39 4.04 3gzuB1 THR 520 HB 0.07 -0.07 0.08 -0.04 4.32 4.35 3gzuB1 THR 520 HG23 0.05 -0.04 -0.11 -0.04 1.22 1.08 3gzuB1 MET 521 H 0.04 0.16 -0.01 -0.55 8.47 8.12 3gzuB1 MET 521 HA -0.01 0.19 0.86 -0.75 4.52 4.80 3gzuB1 MET 521 HB2 -0.13 -0.01 0.20 -0.04 2.15 2.17 3gzuB1 MET 521 HB3 -0.03 0.03 -0.04 -0.04 2.03 1.95 3gzuB1 MET 521 HG2 -0.08 0.07 -0.11 -0.04 2.63 2.47 3gzuB1 MET 521 HG3 -0.35 -0.00 -0.00 -0.04 2.56 2.17 3gzuB1 MET 521 HE3 0.13 0.03 -0.09 -0.04 2.10 2.14 3gzuB1 PRO 522 HA 0.01 0.05 0.46 -0.51 4.44 4.45 3gzuB1 PRO 522 HB2 -0.01 0.01 0.03 -0.04 2.28 2.26 3gzuB1 PRO 522 HB3 0.02 -0.02 0.12 -0.04 2.02 2.09 3gzuB1 PRO 522 HG2 -0.06 0.06 0.09 -0.04 2.03 2.08 3gzuB1 PRO 522 HG3 -0.02 0.06 0.10 -0.04 2.03 2.12 3gzuB1 PRO 522 HD2 -0.19 0.12 0.19 -0.04 3.68 3.76 3gzuB1 PRO 522 HD3 -0.06 0.16 0.20 -0.04 3.65 3.91 3gzuB1 VAL 523 H 0.04 0.14 0.20 -0.55 8.24 8.07 3gzuB1 VAL 523 HA 0.06 0.15 0.50 -0.75 4.13 4.08 3gzuB1 VAL 523 HB 0.03 -0.04 0.20 -0.04 2.12 2.27 3gzuB1 VAL 523 HG13 0.03 0.02 -0.19 -0.04 0.97 0.79 3gzuB1 VAL 523 HG23 0.03 0.03 0.09 -0.04 0.95 1.05 3gzuB1 ASP 524 H 0.07 0.12 0.04 -0.55 8.40 8.08 3gzuB1 ASP 524 HA 0.04 0.06 0.37 -0.75 4.63 4.35 3gzuB1 ASP 524 HB2 0.12 0.03 0.01 -0.04 2.71 2.83 3gzuB1 ASP 524 HB3 0.06 0.12 0.22 -0.04 2.70 3.05 3gzuB1 TYR 525 H 0.17 0.03 -1.59 -0.55 8.29 6.35 3gzuB1 TYR 525 HA -0.07 0.18 0.82 -0.75 4.56 4.73 3gzuB1 TYR 525 HB2 0.01 0.16 -0.02 -0.04 3.06 3.17 3gzuB1 TYR 525 HB3 -0.01 0.01 0.05 -0.04 2.98 3.00 3gzuB1 TYR 525 HD2 0.02 -0.02 -0.11 -0.04 7.15 7.00 3gzuB1 TYR 525 HE2 0.13 0.02 -0.00 -0.04 6.85 6.96 3gzuB1 LYS 526 H 0.12 0.25 0.18 -0.55 8.42 8.41 3gzuB1 LYS 526 HA -0.01 0.05 0.40 -0.75 4.32 4.01 3gzuB1 LYS 526 HB2 0.00 0.01 0.03 -0.04 1.87 1.88 3gzuB1 LYS 526 HB3 0.07 0.11 0.10 -0.04 1.79 2.02 3gzuB1 LYS 526 HG2 0.04 0.04 0.18 -0.04 1.46 1.69 3gzuB1 LYS 526 HG3 0.01 -0.01 0.00 -0.04 1.46 1.42 3gzuB1 LYS 526 HD2 0.01 0.03 -0.11 -0.04 1.69 1.58 3gzuB1 LYS 526 HD3 0.05 0.03 -0.10 -0.04 1.68 1.61 3gzuB1 LYS 526 HE2 0.03 -0.05 0.02 -0.04 2.99 2.95 3gzuB1 LYS 526 HE3 0.01 -0.01 -0.01 -0.04 2.99 2.93 3gzuB1 ARG 527 H 0.00 0.28 -0.07 -0.55 8.46 8.12 3gzuB1 ARG 527 HA -0.03 0.02 0.34 -0.75 4.34 3.91 3gzuB1 ARG 527 HB2 -0.00 -0.04 0.04 -0.04 1.90 1.86 3gzuB1 ARG 527 HB3 0.00 0.03 -0.01 -0.04 1.80 1.79 3gzuB1 ARG 527 HG2 -0.02 0.11 -0.15 -0.04 1.67 1.57 3gzuB1 ARG 527 HG3 -0.01 0.02 -0.16 -0.04 1.67 1.47 3gzuB1 ARG 527 HD2 0.01 -0.06 -0.03 -0.04 3.22 3.11 3gzuB1 ARG 527 HD3 0.00 0.03 -0.04 -0.04 3.22 3.17 3gzuB1 SER 528 H -0.07 0.17 -0.36 -0.55 8.46 7.66 3gzuB1 SER 528 HA -0.06 0.11 0.36 -0.75 4.49 4.14 3gzuB1 SER 528 HB2 -0.30 0.02 0.20 -0.04 3.95 3.83 3gzuB1 SER 528 HB3 -0.14 -0.07 0.10 -0.04 3.93 3.78 3gzuB1 ILE 529 H -0.23 0.69 -0.00 -0.55 8.25 8.16 3gzuB1 ILE 529 HA -0.23 -0.05 0.51 -0.75 4.18 3.65 3gzuB1 ILE 529 HB -0.14 0.01 0.23 -0.04 1.89 1.94 3gzuB1 ILE 529 HG12 -0.59 -0.09 0.08 -0.04 1.49 0.85 3gzuB1 ILE 529 HG13 -0.54 0.26 0.14 -0.04 1.21 1.03 3gzuB1 ILE 529 HG23 -0.10 -0.02 -0.08 -0.04 0.93 0.69 3gzuB1 ILE 529 HD13 -0.24 -0.02 -0.06 -0.04 0.88 0.51 3gzuB1 GLN 530 H -0.09 0.70 0.15 -0.55 8.47 8.68 3gzuB1 GLN 530 HA -0.08 0.02 0.45 -0.75 4.36 3.99 3gzuB1 GLN 530 HB2 -0.09 -0.03 0.09 -0.04 2.15 2.08 3gzuB1 GLN 530 HB3 -0.10 0.02 0.19 -0.04 2.02 2.09 3gzuB1 GLN 530 HG2 -0.06 0.50 -0.01 -0.04 2.40 2.79 3gzuB1 GLN 530 HG3 -0.06 -0.02 0.02 -0.04 2.39 2.28 3gzuB1 GLN 530 HE21 -0.06 -0.02 -0.04 -0.04 6.97 6.81 3gzuB1 GLN 530 HE22 -0.05 -0.00 -0.04 -0.04 7.69 7.55 3gzuB1 ARG 531 H -0.06 0.58 -0.17 -0.55 8.46 8.25 3gzuB1 ARG 531 HA -0.04 -0.06 0.32 -0.75 4.34 3.81 3gzuB1 ARG 531 HB2 -0.04 0.14 0.06 -0.04 1.90 2.02 3gzuB1 ARG 531 HB3 -0.03 -0.10 -0.03 -0.04 1.80 1.61 3gzuB1 ARG 531 HG2 -0.04 0.01 0.18 -0.04 1.67 1.78 3gzuB1 ARG 531 HG3 -0.03 -0.01 -0.08 -0.04 1.67 1.51 3gzuB1 ARG 531 HD2 -0.02 0.05 0.06 -0.04 3.22 3.28 3gzuB1 ARG 531 HD3 -0.03 -0.11 0.04 -0.04 3.22 3.08 3gzuB1 GLY 532 H -0.06 0.49 -0.32 -0.55 8.43 7.99 3gzuB1 GLY 532 HA2 -0.04 -0.03 0.46 -0.51 4.01 3.89 3gzuB1 GLY 532 HA3 -0.04 0.03 0.35 -0.51 4.01 3.84 3gzuB1 ILE 533 H -0.06 0.56 0.01 -0.55 8.25 8.21 3gzuB1 ILE 533 HA -0.04 -0.05 0.36 -0.75 4.18 3.70 3gzuB1 ILE 533 HB -0.07 0.23 0.22 -0.04 1.89 2.22 3gzuB1 ILE 533 HG12 -0.06 -0.10 0.07 -0.04 1.49 1.35 3gzuB1 ILE 533 HG13 -0.07 0.34 0.11 -0.04 1.21 1.55 3gzuB1 ILE 533 HG23 -0.08 -0.01 -0.07 -0.04 0.93 0.73 3gzuB1 ILE 533 HD13 -0.08 -0.02 0.04 -0.04 0.88 0.78 3gzuB1 LEU 534 H -0.05 0.61 -0.22 -0.55 8.37 8.17 3gzuB1 LEU 534 HA -0.05 -0.03 0.38 -0.75 4.35 3.90 3gzuB1 LEU 534 HB2 -0.04 0.17 0.14 -0.04 1.64 1.86 3gzuB1 LEU 534 HB3 -0.04 -0.04 -0.01 -0.04 1.64 1.51 3gzuB1 LEU 534 HG -0.05 -0.05 0.04 -0.04 1.64 1.54 3gzuB1 LEU 534 HD13 -0.05 0.02 -0.05 -0.04 0.93 0.80 3gzuB1 LEU 534 HD23 -0.03 -0.02 -0.00 -0.04 0.89 0.80 3gzuB1 LEU 535 H -0.04 0.49 -0.25 -0.55 8.37 8.02 3gzuB1 LEU 535 HA -0.04 -0.06 0.38 -0.75 4.35 3.88 3gzuB1 LEU 535 HB2 -0.04 0.20 0.16 -0.04 1.64 1.91 3gzuB1 LEU 535 HB3 -0.04 -0.09 0.11 -0.04 1.64 1.58 3gzuB1 LEU 535 HG -0.03 0.33 0.18 -0.04 1.64 2.08 3gzuB1 LEU 535 HD13 -0.03 -0.04 0.01 -0.04 0.93 0.83 3gzuB1 LEU 535 HD23 -0.03 -0.04 -0.03 -0.04 0.89 0.76 3gzuB1 LEU 536 H -0.05 0.51 -0.44 -0.55 8.37 7.84 3gzuB1 LEU 536 HA -0.07 0.02 0.52 -0.75 4.35 4.06 3gzuB1 LEU 536 HB2 -0.05 0.38 0.21 -0.04 1.64 2.14 3gzuB1 LEU 536 HB3 -0.07 -0.05 -0.10 -0.04 1.64 1.39 3gzuB1 LEU 536 HG -0.01 -0.03 -0.05 -0.04 1.64 1.51 3gzuB1 LEU 536 HD13 -0.07 -0.02 -0.04 -0.04 0.93 0.77 3gzuB1 LEU 536 HD23 -0.03 0.03 -0.14 -0.04 0.89 0.72 3gzuB1 SER 537 H -0.05 0.38 0.01 -0.55 8.46 8.25 3gzuB1 SER 537 HA -0.06 0.03 0.36 -0.75 4.49 4.07 3gzuB1 SER 537 HB2 -0.04 -0.02 -0.08 -0.04 3.95 3.77 3gzuB1 SER 537 HB3 -0.05 -0.02 0.02 -0.04 3.93 3.84 3gzuB1 ASN 538 H -0.04 0.60 0.08 -0.55 8.53 8.62 3gzuB1 ASN 538 HA -0.03 0.03 0.41 -0.75 4.76 4.41 3gzuB1 ASN 538 HB2 -0.04 0.03 0.11 -0.04 2.88 2.94 3gzuB1 ASN 538 HB3 -0.03 -0.00 -0.08 -0.04 2.79 2.64 3gzuB1 ASN 538 HD21 -0.03 -0.02 -0.02 -0.04 7.03 6.91 3gzuB1 ASN 538 HD22 -0.03 0.09 -0.10 -0.04 7.74 7.65 3gzuB1 ARG 539 H -0.05 0.29 -0.23 -0.55 8.46 7.92 3gzuB1 ARG 539 HA -0.05 0.01 0.38 -0.75 4.34 3.92 3gzuB1 ARG 539 HB2 -0.08 0.17 0.05 -0.04 1.90 2.00 3gzuB1 ARG 539 HB3 -0.08 -0.05 0.07 -0.04 1.80 1.71 3gzuB1 ARG 539 HG2 -0.05 -0.04 0.20 -0.04 1.67 1.75 3gzuB1 ARG 539 HG3 -0.05 -0.03 0.20 -0.04 1.67 1.75 3gzuB1 ARG 539 HD2 -0.04 -0.12 0.07 -0.04 3.22 3.09 3gzuB1 ARG 539 HD3 -0.04 0.00 0.14 -0.04 3.22 3.28 3gzuB1 LEU 540 H -0.07 0.20 -0.96 -0.55 8.37 6.99 3gzuB1 LEU 540 HA -0.12 -0.06 0.31 -0.75 4.35 3.73 3gzuB1 LEU 540 HB2 -0.07 -0.07 0.11 -0.04 1.64 1.57 3gzuB1 LEU 540 HB3 -0.05 0.65 0.22 -0.04 1.64 2.42 3gzuB1 LEU 540 HG -0.06 -0.11 -0.39 -0.04 1.64 1.04 3gzuB1 LEU 540 HD13 -0.04 -0.05 -0.17 -0.04 0.93 0.64 3gzuB1 LEU 540 HD23 -0.03 -0.02 -0.15 -0.04 0.89 0.65 3gzuB1 GLY 541 H -0.05 0.55 -0.27 -0.55 8.43 8.12 3gzuB1 GLY 541 HA2 -0.03 -0.01 0.46 -0.51 4.01 3.92 3gzuB1 GLY 541 HA3 -0.03 0.04 0.32 -0.51 4.01 3.82 3gzuB1 GLN 542 H -0.06 0.60 -0.15 -0.55 8.47 8.31 3gzuB1 GLN 542 HA -0.05 -0.00 0.58 -0.75 4.36 4.14 3gzuB1 GLN 542 HB2 -0.06 0.15 0.20 -0.04 2.15 2.40 3gzuB1 GLN 542 HB3 -0.06 0.06 -0.05 -0.04 2.02 1.93 3gzuB1 GLN 542 HG2 -0.04 0.10 0.06 -0.04 2.40 2.48 3gzuB1 GLN 542 HG3 -0.04 -0.06 -0.00 -0.04 2.39 2.25 3gzuB1 GLN 542 HE21 -0.03 -0.05 -0.00 -0.04 6.97 6.84 3gzuB1 GLN 542 HE22 -0.03 0.03 0.02 -0.04 7.69 7.67 3gzuB1 LEU 543 H -0.12 0.52 0.02 -0.55 8.37 8.26 3gzuB1 LEU 543 HA -0.21 0.03 0.29 -0.75 4.35 3.70 3gzuB1 LEU 543 HB2 -0.19 0.01 0.05 -0.04 1.64 1.47 3gzuB1 LEU 543 HB3 -0.33 -0.03 -0.12 -0.04 1.64 1.12 3gzuB1 LEU 543 HG -0.25 0.04 -0.11 -0.04 1.64 1.28 3gzuB1 LEU 543 HD13 -0.24 0.04 -0.07 -0.04 0.93 0.62 3gzuB1 LEU 543 HD23 -0.85 -0.02 -0.03 -0.04 0.89 -0.05 3gzuB1 VAL 544 H -0.10 0.47 -0.74 -0.55 8.24 7.32 3gzuB1 VAL 544 HA -0.07 -0.07 0.30 -0.75 4.13 3.54 3gzuB1 VAL 544 HB -0.05 0.02 0.15 -0.04 2.12 2.20 3gzuB1 VAL 544 HG13 -0.04 -0.05 -0.06 -0.04 0.97 0.78 3gzuB1 VAL 544 HG23 -0.04 0.11 0.04 -0.04 0.95 1.02 3gzuB1 ASP 545 H -0.06 0.22 0.00 -0.55 8.40 8.01 3gzuB1 ASP 545 HA -0.07 -0.20 0.34 -0.75 4.63 3.95 3gzuB1 ASP 545 HB2 -0.05 0.27 0.11 -0.04 2.71 3.00 3gzuB1 ASP 545 HB3 -0.04 -0.02 0.04 -0.04 2.70 2.65 3gzuB1 LEU 546 H -0.05 0.37 -0.52 -0.55 8.37 7.62 3gzuB1 LEU 546 HA 0.07 -0.05 0.37 -0.75 4.35 3.99 3gzuB1 LEU 546 HB2 -0.05 0.29 0.22 -0.04 1.64 2.06 3gzuB1 LEU 546 HB3 0.30 -0.09 -0.03 -0.04 1.64 1.79 3gzuB1 LEU 546 HG -0.05 0.05 -0.02 -0.04 1.64 1.59 3gzuB1 LEU 546 HD13 0.02 0.01 -0.08 -0.04 0.93 0.83 3gzuB1 LEU 546 HD23 0.05 -0.02 -0.05 -0.04 0.89 0.83 3gzuB1 THR 547 H 0.06 0.55 0.17 -0.55 8.28 8.51 3gzuB1 THR 547 HA 0.30 -0.05 0.35 -0.75 4.39 4.23 3gzuB1 THR 547 HB 0.03 -0.06 0.14 -0.04 4.32 4.39 3gzuB1 THR 547 HG23 0.19 0.03 -0.01 -0.04 1.22 1.38 3gzuB1 ARG 548 H -0.06 0.24 -0.27 -0.55 8.46 7.82 3gzuB1 ARG 548 HA -0.05 0.07 0.38 -0.75 4.34 3.99 3gzuB1 ARG 548 HB2 -0.09 0.09 0.14 -0.04 1.90 2.01 3gzuB1 ARG 548 HB3 -0.18 -0.14 0.09 -0.04 1.80 1.53 3gzuB1 ARG 548 HG2 -1.00 0.02 0.03 -0.04 1.67 0.68 3gzuB1 ARG 548 HG3 -0.24 0.16 -0.17 -0.04 1.67 1.38 3gzuB1 ARG 548 HD2 -0.12 -0.10 0.13 -0.04 3.22 3.08 3gzuB1 ARG 548 HD3 -0.25 0.07 0.09 -0.04 3.22 3.09 3gzuB1 LEU 549 H 0.04 0.66 -0.07 -0.55 8.37 8.45 3gzuB1 LEU 549 HA 0.12 -0.08 0.31 -0.75 4.35 3.95 3gzuB1 LEU 549 HB2 0.06 0.16 0.22 -0.04 1.64 2.04 3gzuB1 LEU 549 HB3 0.17 -0.08 0.21 -0.04 1.64 1.90 3gzuB1 LEU 549 HG 0.14 -0.01 -0.03 -0.04 1.64 1.70 3gzuB1 LEU 549 HD13 0.04 -0.02 0.03 -0.04 0.93 0.94 3gzuB1 LEU 549 HD23 -0.12 -0.02 -0.04 -0.04 0.89 0.68 3gzuB1 LEU 550 H 0.23 0.41 0.03 -0.55 8.37 8.49 3gzuB1 LEU 550 HA 0.23 -0.08 0.32 -0.75 4.35 4.07 3gzuB1 LEU 550 HB2 0.19 0.08 0.11 -0.04 1.64 1.98 3gzuB1 LEU 550 HB3 0.13 -0.03 -0.03 -0.04 1.64 1.68 3gzuB1 LEU 550 HG 0.33 0.05 0.07 -0.04 1.64 2.05 3gzuB1 LEU 550 HD13 0.17 -0.01 -0.05 -0.04 0.93 1.00 3gzuB1 LEU 550 HD23 0.22 -0.01 0.00 -0.04 0.89 1.06 3gzuB1 ALA 551 H 0.16 0.63 -0.14 -0.55 8.40 8.51 3gzuB1 ALA 551 HA 0.16 -0.11 0.33 -0.75 4.34 3.97 3gzuB1 ALA 551 HB3 0.10 0.04 0.14 -0.04 1.41 1.65 3gzuB1 TYR 552 H 0.19 0.68 -0.06 -0.55 8.29 8.56 3gzuB1 TYR 552 HA -0.09 -0.11 0.35 -0.75 4.56 3.96 3gzuB1 TYR 552 HB2 0.00 -0.08 0.10 -0.04 3.06 3.04 3gzuB1 TYR 552 HB3 0.04 -0.01 0.24 -0.04 2.98 3.21 3gzuB1 TYR 552 HD2 -0.02 -0.07 0.00 -0.04 7.15 7.03 3gzuB1 TYR 552 HE2 0.07 0.00 -0.00 -0.04 6.85 6.88 3gzuB1 ASN 553 H 0.25 0.33 0.12 -0.55 8.53 8.68 3gzuB1 ASN 553 HA -0.04 -0.09 0.40 -0.75 4.76 4.27 3gzuB1 ASN 553 HB2 0.17 0.02 0.15 -0.04 2.88 3.17 3gzuB1 ASN 553 HB3 0.09 -0.05 0.04 -0.04 2.79 2.84 3gzuB1 ASN 553 HD21 0.23 0.15 0.11 -0.04 7.03 7.48 3gzuB1 ASN 553 HD22 0.16 -0.07 0.10 -0.04 7.74 7.89 3gzuB1 TYR 554 H 0.17 0.39 -0.02 -0.55 8.29 8.28 3gzuB1 TYR 554 HA -0.04 -0.07 0.39 -0.75 4.56 4.09 3gzuB1 TYR 554 HB2 0.01 -0.07 0.08 -0.04 3.06 3.04 3gzuB1 TYR 554 HB3 0.03 0.09 0.07 -0.04 2.98 3.13 3gzuB1 TYR 554 HD2 0.04 -0.06 -0.02 -0.04 7.15 7.08 3gzuB1 TYR 554 HE2 0.08 -0.00 -0.08 -0.04 6.85 6.81 3gzuB1 GLU 555 H 0.05 0.48 0.02 -0.55 8.60 8.60 3gzuB1 GLU 555 HA -0.31 -0.08 0.34 -0.75 4.29 3.48 3gzuB1 GLU 555 HB2 -0.06 0.68 0.38 -0.04 2.09 3.04 3gzuB1 GLU 555 HB3 -0.18 -0.16 0.03 -0.04 1.99 1.64 3gzuB1 GLU 555 HG2 -0.02 -0.07 0.13 -0.04 2.34 2.34 3gzuB1 GLU 555 HG3 0.08 -0.01 0.12 -0.04 2.34 2.49 3gzuB1 THR 556 H -0.28 0.55 -0.69 -0.55 8.28 7.30 3gzuB1 THR 556 HA -0.36 0.00 0.70 -0.75 4.39 3.98 3gzuB1 THR 556 HB -0.35 0.03 0.21 -0.04 4.32 4.18 3gzuB1 THR 556 HG23 -0.31 -0.02 -0.08 -0.04 1.22 0.77 3gzuB1 LEU 557 H -0.19 0.24 0.21 -0.55 8.37 8.07 3gzuB1 LEU 557 HA -0.15 -0.06 0.34 -0.75 4.35 3.73 3gzuB1 LEU 557 HB2 -0.12 0.03 0.16 -0.04 1.64 1.67 3gzuB1 LEU 557 HB3 -0.22 -0.00 -0.01 -0.04 1.64 1.36 3gzuB1 LEU 557 HG -0.12 -0.02 0.15 -0.04 1.64 1.61 3gzuB1 LEU 557 HD13 -0.07 -0.02 -0.13 -0.04 0.93 0.67 3gzuB1 LEU 557 HD23 -0.24 -0.01 -0.00 -0.04 0.89 0.60 3gzuB1 MET 558 H -0.21 0.41 -0.12 -0.55 8.47 8.00 3gzuB1 MET 558 HA -0.03 -0.04 0.26 -0.75 4.52 3.96 3gzuB1 MET 558 HB2 -0.59 -0.02 0.01 -0.04 2.15 1.51 3gzuB1 MET 558 HB3 -0.36 0.02 -0.04 -0.04 2.03 1.61 3gzuB1 MET 558 HG2 -0.10 0.01 -0.42 -0.04 2.63 2.07 3gzuB1 MET 558 HG3 -0.11 0.00 -0.07 -0.04 2.56 2.35 3gzuB1 MET 558 HE3 -0.10 -0.03 -0.06 -0.04 2.10 1.87 3gzuB1 ALA 559 H -0.17 0.44 -0.19 -0.55 8.40 7.94 3gzuB1 ALA 559 HA -0.09 -0.11 0.37 -0.75 4.34 3.76 3gzuB1 ALA 559 HB3 -0.15 -0.04 0.11 -0.04 1.41 1.28 3gzuB1 CYS 560 H 0.00 0.51 -0.25 -0.55 8.50 8.21 3gzuB1 CYS 560 HA 0.14 0.09 0.72 -0.75 4.58 4.77 3gzuB1 CYS 560 HB2 0.35 -0.07 0.25 -0.04 2.97 3.46 3gzuB1 CYS 560 HB3 -0.07 -0.10 0.10 -0.04 2.97 2.85 3gzuB1 VAL 561 H 0.05 0.46 -0.22 -0.55 8.24 7.98 3gzuB1 VAL 561 HA -0.02 0.06 1.00 -0.75 4.13 4.42 3gzuB1 VAL 561 HB 0.05 0.03 0.03 -0.04 2.12 2.18 3gzuB1 VAL 561 HG13 0.05 0.01 -0.09 -0.04 0.97 0.90 3gzuB1 VAL 561 HG23 0.15 0.09 -0.11 -0.04 0.95 1.04 3gzuB1 THR 562 H -0.05 0.03 0.13 -0.55 8.28 7.85 3gzuB1 THR 562 HA -0.07 0.18 0.68 -0.75 4.39 4.42 3gzuB1 THR 562 HB -0.17 -0.05 0.04 -0.04 4.32 4.10 3gzuB1 THR 562 HG23 -0.51 -0.00 -0.03 -0.04 1.22 0.63 3gzuB1 MET 563 H 0.17 -0.04 0.12 -0.55 8.47 8.18 3gzuB1 MET 563 HA 0.23 -0.08 0.44 -0.75 4.52 4.36 3gzuB1 MET 563 HB2 0.05 0.05 0.11 -0.04 2.15 2.32 3gzuB1 MET 563 HB3 0.01 0.02 0.09 -0.04 2.03 2.11 3gzuB1 MET 563 HG2 0.12 -0.05 0.16 -0.04 2.63 2.82 3gzuB1 MET 563 HG3 0.01 0.01 0.09 -0.04 2.56 2.62 3gzuB1 MET 563 HE3 -0.23 -0.02 0.10 -0.04 2.10 1.92 3gzuB1 ASN 564 H 0.14 -0.13 0.22 -0.55 8.53 8.22 3gzuB1 ASN 564 HA 0.10 0.21 0.47 -0.75 4.76 4.78 3gzuB1 ASN 564 HB2 0.16 -0.13 0.17 -0.04 2.88 3.03 3gzuB1 ASN 564 HB3 0.11 -0.15 0.22 -0.04 2.79 2.92 3gzuB1 ASN 564 HD21 0.06 0.25 0.18 -0.04 7.03 7.48 3gzuB1 ASN 564 HD22 0.07 -0.01 0.13 -0.04 7.74 7.89 3gzuB1 MET 565 H 0.14 0.06 0.03 -0.55 8.47 8.15 3gzuB1 MET 565 HA 0.35 -0.02 0.43 -0.75 4.52 4.53 3gzuB1 MET 565 HB2 0.22 0.04 0.02 -0.04 2.15 2.39 3gzuB1 MET 565 HB3 0.19 0.24 -0.04 -0.04 2.03 2.38 3gzuB1 MET 565 HG2 0.13 0.01 -0.26 -0.04 2.63 2.47 3gzuB1 MET 565 HG3 0.15 -0.14 0.19 -0.04 2.56 2.73 3gzuB1 MET 565 HE3 0.12 0.03 -0.13 -0.04 2.10 2.08 3gzuB1 GLN 566 H 0.31 0.06 0.11 -0.55 8.47 8.40 3gzuB1 GLN 566 HA 0.07 0.07 0.68 -0.75 4.36 4.43 3gzuB1 GLN 566 HB2 -0.02 -0.01 0.03 -0.04 2.15 2.11 3gzuB1 GLN 566 HB3 -0.05 0.05 0.07 -0.04 2.02 2.04 3gzuB1 GLN 566 HG2 -0.07 0.02 0.00 -0.04 2.40 2.30 3gzuB1 GLN 566 HG3 -0.16 -0.05 0.07 -0.04 2.39 2.21 3gzuB1 GLN 566 HE21 -0.19 -0.01 -0.01 -0.04 6.97 6.72 3gzuB1 GLN 566 HE22 -0.14 0.02 0.01 -0.04 7.69 7.53 3gzuB1 HIS 567 H 0.15 0.06 0.19 -0.55 8.41 8.26 3gzuB1 HIS 567 HA -0.00 0.18 0.49 -0.75 4.63 4.53 3gzuB1 HIS 567 HB2 0.10 0.03 0.14 -0.04 3.26 3.50 3gzuB1 HIS 567 HB3 0.00 -0.09 0.15 -0.04 3.20 3.22 3gzuB1 HIS 567 HD2 -0.01 0.01 -0.09 -0.04 6.97 6.84 3gzuB1 HIS 567 HE1 -0.07 -0.11 -0.14 -0.04 7.75 7.38 3gzuB1 VAL 568 H -0.23 0.37 0.24 -0.55 8.24 8.07 3gzuB1 VAL 568 HA -0.06 0.16 0.98 -0.75 4.13 4.46 3gzuB1 VAL 568 HB -0.59 0.01 -0.08 -0.04 2.12 1.42 3gzuB1 VAL 568 HG13 -0.33 -0.01 -0.08 -0.04 0.97 0.51 3gzuB1 VAL 568 HG23 -0.87 0.10 -0.25 -0.04 0.95 -0.11 3gzuB1 GLN 569 H -0.06 0.14 0.07 -0.55 8.47 8.07 3gzuB1 GLN 569 HA 0.00 0.09 0.59 -0.75 4.36 4.28 3gzuB1 GLN 569 HB2 -0.04 -0.04 0.20 -0.04 2.15 2.23 3gzuB1 GLN 569 HB3 -0.03 0.04 0.09 -0.04 2.02 2.09 3gzuB1 GLN 569 HG2 -0.01 0.03 -0.01 -0.04 2.40 2.37 3gzuB1 GLN 569 HG3 -0.03 -0.05 0.04 -0.04 2.39 2.31 3gzuB1 GLN 569 HE21 0.09 -0.05 -0.13 -0.04 6.97 6.85 3gzuB1 GLN 569 HE22 0.15 0.06 -0.19 -0.04 7.69 7.67 3gzuB1 THR 570 H -0.04 0.32 0.14 -0.55 8.28 8.16 3gzuB1 THR 570 HA 0.04 -0.02 0.27 -0.75 4.39 3.93 3gzuB1 THR 570 HB -0.03 0.18 0.09 -0.04 4.32 4.52 3gzuB1 THR 570 HG23 0.05 -0.18 0.16 -0.04 1.22 1.22 3gzuB1 LEU 571 H 0.03 0.05 0.19 -0.55 8.37 8.10 3gzuB1 LEU 571 HA -0.03 0.16 0.63 -0.75 4.35 4.36 3gzuB1 LEU 571 HB2 0.01 -0.00 0.05 -0.04 1.64 1.66 3gzuB1 LEU 571 HB3 -0.03 -0.00 0.06 -0.04 1.64 1.63 3gzuB1 LEU 571 HG 0.04 -0.03 -0.01 -0.04 1.64 1.59 3gzuB1 LEU 571 HD13 0.02 -0.02 -0.08 -0.04 0.93 0.80 3gzuB1 LEU 571 HD23 -0.02 0.04 -0.06 -0.04 0.89 0.82 3gzuB1 THR 572 H -0.01 0.00 0.02 -0.55 8.28 7.75 3gzuB1 THR 572 HA -0.07 0.15 0.89 -0.75 4.39 4.62 3gzuB1 THR 572 HB -0.04 0.05 0.06 -0.04 4.32 4.35 3gzuB1 THR 572 HG23 -0.02 -0.01 -0.07 -0.04 1.22 1.08 3gzuB1 THR 573 H -0.06 0.03 0.08 -0.55 8.28 7.78 3gzuB1 THR 573 HA -0.12 0.43 0.75 -0.75 4.39 4.70 3gzuB1 THR 573 HB -0.05 -0.01 0.02 -0.04 4.32 4.24 3gzuB1 THR 573 HG23 -0.11 -0.27 0.00 -0.04 1.22 0.80 3gzuB1 GLU 574 H -0.13 -0.01 0.08 -0.55 8.60 7.99 3gzuB1 GLU 574 HA -0.10 0.05 0.47 -0.75 4.29 3.96 3gzuB1 GLU 574 HB2 -0.25 -0.02 -0.10 -0.04 2.09 1.67 3gzuB1 GLU 574 HB3 -0.21 0.03 -0.08 -0.04 1.99 1.70 3gzuB1 GLU 574 HG2 -0.26 0.37 -0.22 -0.04 2.34 2.18 3gzuB1 GLU 574 HG3 -0.61 0.01 -0.12 -0.04 2.34 1.58 3gzuB1 LYS 575 H -0.03 0.16 0.08 -0.55 8.42 8.07 3gzuB1 LYS 575 HA -0.04 0.04 0.50 -0.75 4.32 4.06 3gzuB1 LYS 575 HB2 0.00 0.06 0.12 -0.04 1.87 2.01 3gzuB1 LYS 575 HB3 0.00 -0.06 -0.04 -0.04 1.79 1.65 3gzuB1 LYS 575 HG2 -0.00 -0.04 -0.13 -0.04 1.46 1.24 3gzuB1 LYS 575 HG3 0.01 0.06 -0.02 -0.04 1.46 1.46 3gzuB1 LYS 575 HD2 0.01 0.05 -0.03 -0.04 1.69 1.69 3gzuB1 LYS 575 HD3 0.01 -0.07 -0.04 -0.04 1.68 1.54 3gzuB1 LYS 575 HE2 0.03 -0.04 -0.11 -0.04 2.99 2.83 3gzuB1 LYS 575 HE3 0.03 0.05 -0.05 -0.04 2.99 2.98 3gzuB1 LEU 576 H -0.03 0.14 0.19 -0.55 8.37 8.12 3gzuB1 LEU 576 HA 0.01 0.14 0.83 -0.75 4.35 4.57 3gzuB1 LEU 576 HB2 -0.05 0.12 -0.12 -0.04 1.64 1.55 3gzuB1 LEU 576 HB3 -0.06 0.17 0.20 -0.04 1.64 1.91 3gzuB1 LEU 576 HG 0.03 -0.10 -0.13 -0.04 1.64 1.40 3gzuB1 LEU 576 HD13 0.04 -0.00 -0.20 -0.04 0.93 0.72 3gzuB1 LEU 576 HD23 0.00 0.04 -0.08 -0.04 0.89 0.81 3gzuB1 GLN 577 H 0.03 0.21 0.04 -0.55 8.47 8.20 3gzuB1 GLN 577 HA 0.04 0.24 0.56 -0.75 4.36 4.44 3gzuB1 GLN 577 HB2 0.03 -0.07 0.21 -0.04 2.15 2.28 3gzuB1 GLN 577 HB3 0.02 0.04 0.11 -0.04 2.02 2.14 3gzuB1 GLN 577 HG2 0.02 0.02 0.03 -0.04 2.40 2.42 3gzuB1 GLN 577 HG3 0.02 -0.01 0.03 -0.04 2.39 2.39 3gzuB1 GLN 577 HE21 0.02 0.03 0.01 -0.04 6.97 6.99 3gzuB1 GLN 577 HE22 0.02 0.04 0.01 -0.04 7.69 7.72 3gzuB1 LEU 578 H 0.08 0.36 0.22 -0.55 8.37 8.48 3gzuB1 LEU 578 HA 0.09 0.06 0.29 -0.75 4.35 4.04 3gzuB1 LEU 578 HB2 0.07 -0.07 -0.00 -0.04 1.64 1.60 3gzuB1 LEU 578 HB3 0.11 0.22 0.16 -0.04 1.64 2.09 3gzuB1 LEU 578 HG 0.15 0.04 0.10 -0.04 1.64 1.89 3gzuB1 LEU 578 HD13 0.33 0.03 -0.06 -0.04 0.93 1.18 3gzuB1 LEU 578 HD23 0.12 0.01 -0.01 -0.04 0.89 0.97 3gzuB1 THR 579 H 0.03 -0.10 -1.07 -0.55 8.28 6.59 3gzuB1 THR 579 HA 0.02 0.02 0.28 -0.75 4.39 3.95 3gzuB1 THR 579 HB 0.03 -0.14 0.12 -0.04 4.32 4.28 3gzuB1 THR 579 HG23 0.02 -0.02 -0.01 -0.04 1.22 1.17 3gzuB1 SER 580 H 0.04 0.10 0.03 -0.55 8.46 8.09 3gzuB1 SER 580 HA 0.05 -0.04 0.25 -0.75 4.49 3.99 3gzuB1 SER 580 HB2 0.07 0.27 -0.10 -0.04 3.95 4.15 3gzuB1 SER 580 HB3 0.05 -0.11 0.19 -0.04 3.93 4.02 3gzuB1 VAL 581 H 0.08 0.26 -0.34 -0.55 8.24 7.68 3gzuB1 VAL 581 HA 0.14 0.04 0.25 -0.75 4.13 3.80 3gzuB1 VAL 581 HB 0.12 0.01 0.10 -0.04 2.12 2.30 3gzuB1 VAL 581 HG13 0.17 0.01 -0.14 -0.04 0.97 0.96 3gzuB1 VAL 581 HG23 0.07 0.05 -0.16 -0.04 0.95 0.88 3gzuB1 THR 582 H 0.10 0.57 -0.06 -0.55 8.28 8.34 3gzuB1 THR 582 HA 0.11 -0.08 0.27 -0.75 4.39 3.93 3gzuB1 THR 582 HB 0.03 0.14 0.08 -0.04 4.32 4.52 3gzuB1 THR 582 HG23 0.01 -0.05 -0.09 -0.04 1.22 1.05 3gzuB1 SER 583 H 0.05 0.39 -0.50 -0.55 8.46 7.85 3gzuB1 SER 583 HA 0.01 -0.06 0.29 -0.75 4.49 3.97 3gzuB1 SER 583 HB2 0.02 -0.17 -0.04 -0.04 3.95 3.72 3gzuB1 SER 583 HB3 0.02 0.04 0.02 -0.04 3.93 3.97 3gzuB1 LEU 584 H 0.08 0.48 0.05 -0.55 8.37 8.43 3gzuB1 LEU 584 HA 0.04 -0.08 0.25 -0.75 4.35 3.81 3gzuB1 LEU 584 HB2 0.13 -0.04 0.10 -0.04 1.64 1.79 3gzuB1 LEU 584 HB3 0.19 0.05 0.10 -0.04 1.64 1.94 3gzuB1 LEU 584 HG 0.08 -0.00 -0.08 -0.04 1.64 1.60 3gzuB1 LEU 584 HD13 0.13 -0.05 -0.04 -0.04 0.93 0.93 3gzuB1 LEU 584 HD23 0.31 -0.00 -0.10 -0.04 0.89 1.05 3gzuB1 CYS 585 H 0.13 0.43 -0.36 -0.55 8.50 8.15 3gzuB1 CYS 585 HA -0.04 -0.01 0.25 -0.75 4.58 4.02 3gzuB1 CYS 585 HB2 0.03 0.12 0.19 -0.04 2.97 3.26 3gzuB1 CYS 585 HB3 -0.08 -0.04 0.06 -0.04 2.97 2.87 3gzuB1 MET 586 H -0.02 0.19 0.10 -0.55 8.47 8.18 3gzuB1 MET 586 HA -0.06 0.03 0.38 -0.75 4.52 4.13 3gzuB1 MET 586 HB2 -0.04 -0.06 0.14 -0.04 2.15 2.14 3gzuB1 MET 586 HB3 -0.04 0.02 0.10 -0.04 2.03 2.07 3gzuB1 MET 586 HG2 -0.02 0.19 0.11 -0.04 2.63 2.87 3gzuB1 MET 586 HG3 -0.03 0.01 -0.19 -0.04 2.56 2.31 3gzuB1 MET 586 HE3 -0.04 0.02 -0.05 -0.04 2.10 1.99 3gzuB1 LEU 587 H -0.01 0.50 -0.91 -0.55 8.37 7.40 3gzuB1 LEU 587 HA -0.02 0.08 0.93 -0.75 4.35 4.58 3gzuB1 LEU 587 HB2 -0.01 -0.11 -0.07 -0.04 1.64 1.41 3gzuB1 LEU 587 HB3 -0.00 0.21 -0.20 -0.04 1.64 1.61 3gzuB1 LEU 587 HG -0.01 -0.06 0.11 -0.04 1.64 1.65 3gzuB1 LEU 587 HD13 -0.01 0.10 0.07 -0.04 0.93 1.04 3gzuB1 LEU 587 HD23 -0.00 -0.05 -0.15 -0.04 0.89 0.65 3gzuB1 ILE 588 H -0.03 0.46 0.02 -0.55 8.25 8.14 3gzuB1 ILE 588 HA -0.03 0.06 1.07 -0.75 4.18 4.52 3gzuB1 ILE 588 HB -0.04 0.08 0.14 -0.04 1.89 2.04 3gzuB1 ILE 588 HG12 -0.02 0.17 -0.05 -0.04 1.49 1.56 3gzuB1 ILE 588 HG13 -0.05 -0.06 -0.03 -0.04 1.21 1.04 3gzuB1 ILE 588 HG23 -0.05 -0.01 -0.17 -0.04 0.93 0.66 3gzuB1 ILE 588 HD13 -0.08 -0.02 -0.00 -0.04 0.88 0.74 3gzuB1 GLY 589 H -0.03 0.22 0.21 -0.55 8.43 8.28 3gzuB1 GLY 589 HA2 -0.03 0.20 0.70 -0.51 4.01 4.37 3gzuB1 GLY 589 HA3 -0.03 -0.03 0.36 -0.51 4.01 3.81 3gzuB1 ASN 590 H -0.02 0.10 0.10 -0.55 8.53 8.16 3gzuB1 ASN 590 HA -0.02 0.13 0.49 -0.75 4.76 4.60 3gzuB1 ASN 590 HB2 -0.02 0.01 0.16 -0.04 2.88 2.99 3gzuB1 ASN 590 HB3 -0.02 0.09 0.16 -0.04 2.79 2.98 3gzuB1 ASN 590 HD21 -0.01 -0.03 0.00 -0.04 7.03 6.94 3gzuB1 ASN 590 HD22 -0.01 -0.01 0.04 -0.04 7.74 7.72 3gzuB1 ALA 591 H -0.03 0.25 -0.95 -0.55 8.40 7.12 3gzuB1 ALA 591 HA -0.03 0.00 0.33 -0.75 4.34 3.89 3gzuB1 ALA 591 HB3 -0.05 0.02 0.04 -0.04 1.41 1.38 3gzuB1 THR 592 H -0.03 0.11 -0.07 -0.55 8.28 7.75 3gzuB1 THR 592 HA -0.02 0.08 0.48 -0.75 4.39 4.18 3gzuB1 THR 592 HB -0.02 -0.15 -0.11 -0.04 4.32 4.00 3gzuB1 THR 592 HG23 -0.02 0.05 -0.16 -0.04 1.22 1.05 3gzuB1 VAL 593 H -0.00 0.23 0.09 -0.55 8.24 8.01 3gzuB1 VAL 593 HA 0.01 0.21 1.03 -0.75 4.13 4.63 3gzuB1 VAL 593 HB 0.01 0.02 -0.10 -0.04 2.12 2.00 3gzuB1 VAL 593 HG13 0.03 0.08 0.01 -0.04 0.97 1.04 3gzuB1 VAL 593 HG23 -0.03 -0.01 -0.23 -0.04 0.95 0.65 3gzuB1 ILE 594 H 0.05 0.28 0.18 -0.55 8.25 8.21 3gzuB1 ILE 594 HA 0.15 0.15 0.67 -0.75 4.18 4.41 3gzuB1 ILE 594 HB 0.29 0.06 0.07 -0.04 1.89 2.27 3gzuB1 ILE 594 HG12 0.05 0.01 -0.15 -0.04 1.49 1.36 3gzuB1 ILE 594 HG13 0.03 -0.11 -0.11 -0.04 1.21 0.98 3gzuB1 ILE 594 HG23 0.14 -0.03 -0.35 -0.04 0.93 0.65 3gzuB1 ILE 594 HD13 0.04 -0.00 -0.68 -0.04 0.88 0.20 3gzuB1 PRO 595 HA 0.07 0.02 0.46 -0.51 4.44 4.49 3gzuB1 PRO 595 HB2 0.15 0.02 0.09 -0.04 2.28 2.50 3gzuB1 PRO 595 HB3 0.05 0.07 0.05 -0.04 2.02 2.14 3gzuB1 PRO 595 HG2 0.01 0.02 0.11 -0.04 2.03 2.13 3gzuB1 PRO 595 HG3 0.04 0.07 0.08 -0.04 2.03 2.18 3gzuB1 PRO 595 HD2 0.23 0.12 0.18 -0.04 3.68 4.17 3gzuB1 PRO 595 HD3 0.16 0.12 0.24 -0.04 3.65 4.13 3gzuB1 SER 596 H 0.06 0.11 0.24 -0.55 8.46 8.32 3gzuB1 SER 596 HA 0.04 0.15 0.41 -0.75 4.49 4.34 3gzuB1 SER 596 HB2 0.05 -0.13 0.09 -0.04 3.95 3.92 3gzuB1 SER 596 HB3 0.04 0.01 0.08 -0.04 3.93 4.01 3gzuB1 PRO 597 HA 0.39 0.11 0.36 -0.51 4.44 4.79 3gzuB1 PRO 597 HB2 0.14 -0.22 0.19 -0.04 2.28 2.35 3gzuB1 PRO 597 HB3 0.35 0.11 0.05 -0.04 2.02 2.49 3gzuB1 PRO 597 HG2 0.05 0.08 -0.02 -0.04 2.03 2.09 3gzuB1 PRO 597 HG3 0.05 0.16 0.04 -0.04 2.03 2.24 3gzuB1 PRO 597 HD2 0.04 0.02 0.16 -0.04 3.68 3.87 3gzuB1 PRO 597 HD3 0.00 0.17 0.20 -0.04 3.65 3.99 3gzuB1 GLN 598 H 0.06 0.17 -0.03 -0.55 8.47 8.13 3gzuB1 GLN 598 HA -0.26 0.03 0.30 -0.75 4.36 3.67 3gzuB1 GLN 598 HB2 0.02 0.00 -0.05 -0.04 2.15 2.08 3gzuB1 GLN 598 HB3 -0.05 0.03 0.05 -0.04 2.02 2.01 3gzuB1 GLN 598 HG2 -0.11 0.07 0.09 -0.04 2.40 2.41 3gzuB1 GLN 598 HG3 -0.00 -0.07 0.10 -0.04 2.39 2.38 3gzuB1 GLN 598 HE21 -0.03 -0.02 0.03 -0.04 6.97 6.92 3gzuB1 GLN 598 HE22 -0.06 0.04 0.05 -0.04 7.69 7.68 3gzuB1 THR 599 H 0.13 -0.02 -0.75 -0.55 8.28 7.09 3gzuB1 THR 599 HA 0.09 -0.01 0.37 -0.75 4.39 4.08 3gzuB1 THR 599 HB 0.10 0.19 0.16 -0.04 4.32 4.72 3gzuB1 THR 599 HG23 0.01 0.01 -0.02 -0.04 1.22 1.19 3gzuB1 LEU 600 H 0.20 0.53 0.07 -0.55 8.37 8.62 3gzuB1 LEU 600 HA 0.10 -0.03 0.34 -0.75 4.35 4.01 3gzuB1 LEU 600 HB2 0.11 0.14 0.17 -0.04 1.64 2.02 3gzuB1 LEU 600 HB3 -0.10 -0.04 -0.02 -0.04 1.64 1.44 3gzuB1 LEU 600 HG 0.06 -0.07 0.01 -0.04 1.64 1.60 3gzuB1 LEU 600 HD13 0.13 0.00 -0.09 -0.04 0.93 0.93 3gzuB1 LEU 600 HD23 -0.10 -0.02 -0.02 -0.04 0.89 0.71 3gzuB1 PHE 601 H 0.77 0.27 -0.21 -0.55 8.34 8.61 3gzuB1 PHE 601 HA 0.10 -0.00 0.34 -0.75 4.62 4.30 3gzuB1 PHE 601 HB2 0.12 0.03 0.12 -0.04 3.15 3.38 3gzuB1 PHE 601 HB3 0.12 -0.04 -0.01 -0.04 3.06 3.08 3gzuB1 PHE 601 HD2 0.08 0.12 -0.15 -0.04 7.28 7.29 3gzuB1 PHE 601 HE2 0.07 -0.08 -0.21 -0.04 7.38 7.11 3gzuB1 PHE 601 HZ 0.05 0.03 -0.13 -0.04 7.32 7.23 3gzuB1 HIS 602 H 0.42 0.47 -0.00 -0.55 8.41 8.76 3gzuB1 HIS 602 HA 0.15 -0.07 0.39 -0.75 4.63 4.34 3gzuB1 HIS 602 HB2 0.11 0.05 0.20 -0.04 3.26 3.59 3gzuB1 HIS 602 HB3 0.14 0.17 0.15 -0.04 3.20 3.63 3gzuB1 HIS 602 HD2 0.04 -0.05 0.04 -0.04 6.97 6.95 3gzuB1 HIS 602 HE1 0.02 -0.04 0.01 -0.04 7.75 7.69 3gzuB1 TYR 603 H 0.39 0.46 -0.44 -0.55 8.29 8.14 3gzuB1 TYR 603 HA 0.13 -0.08 0.39 -0.75 4.56 4.24 3gzuB1 TYR 603 HB2 0.09 -0.05 0.09 -0.04 3.06 3.15 3gzuB1 TYR 603 HB3 0.09 0.15 0.21 -0.04 2.98 3.39 3gzuB1 TYR 603 HD2 0.04 0.03 -0.04 -0.04 7.15 7.13 3gzuB1 TYR 603 HE2 -0.00 0.01 -0.17 -0.04 6.85 6.64 3gzuB1 TYR 604 H 0.31 0.41 0.19 -0.55 8.29 8.64 3gzuB1 TYR 604 HA -0.10 0.14 0.50 -0.75 4.56 4.34 3gzuB1 TYR 604 HB2 -0.02 -0.01 0.22 -0.04 3.06 3.21 3gzuB1 TYR 604 HB3 0.03 -0.13 0.26 -0.04 2.98 3.10 3gzuB1 TYR 604 HD2 -0.04 0.01 0.05 -0.04 7.15 7.13 3gzuB1 TYR 604 HE2 -0.81 0.01 0.00 -0.04 6.85 6.02 3gzuB1 ASN 605 H 0.24 0.40 -0.02 -0.55 8.53 8.60 3gzuB1 ASN 605 HA 0.05 -0.08 0.32 -0.75 4.76 4.29 3gzuB1 ASN 605 HB2 0.02 0.18 0.10 -0.04 2.88 3.13 3gzuB1 ASN 605 HB3 -0.04 -0.00 0.01 -0.04 2.79 2.72 3gzuB1 ASN 605 HD21 0.16 0.05 0.07 -0.04 7.03 7.26 3gzuB1 ASN 605 HD22 0.10 -0.02 0.10 -0.04 7.74 7.88 3gzuB1 VAL 606 H -0.05 0.52 -0.16 -0.55 8.24 8.01 3gzuB1 VAL 606 HA -0.07 0.01 0.41 -0.75 4.13 3.73 3gzuB1 VAL 606 HB -0.12 -0.09 0.06 -0.04 2.12 1.93 3gzuB1 VAL 606 HG13 -0.06 0.00 -0.00 -0.04 0.97 0.87 3gzuB1 VAL 606 HG23 -0.08 0.12 0.28 -0.04 0.95 1.23 3gzuB1 ASN 607 H -0.25 0.38 0.20 -0.55 8.53 8.32 3gzuB1 ASN 607 HA -0.06 -0.09 0.41 -0.75 4.76 4.27 3gzuB1 ASN 607 HB2 -0.25 0.27 0.30 -0.04 2.88 3.16 3gzuB1 ASN 607 HB3 -0.08 -0.21 0.14 -0.04 2.79 2.60 3gzuB1 ASN 607 HD21 -0.62 -0.06 0.07 -0.04 7.03 6.38 3gzuB1 ASN 607 HD22 -0.76 0.24 0.13 -0.04 7.74 7.31 3gzuB1 VAL 608 H -0.20 0.64 -0.38 -0.55 8.24 7.75 3gzuB1 VAL 608 HA -0.20 -0.11 0.33 -0.75 4.13 3.40 3gzuB1 VAL 608 HB -0.10 0.41 0.29 -0.04 2.12 2.68 3gzuB1 VAL 608 HG13 -0.07 -0.04 -0.08 -0.04 0.97 0.74 3gzuB1 VAL 608 HG23 -0.53 0.06 -0.16 -0.04 0.95 0.28 3gzuB1 ASN 609 H -0.03 0.57 0.24 -0.55 8.53 8.78 3gzuB1 ASN 609 HA 0.01 -0.10 0.45 -0.75 4.76 4.37 3gzuB1 ASN 609 HB2 0.03 -0.01 0.28 -0.04 2.88 3.13 3gzuB1 ASN 609 HB3 0.02 -0.07 0.09 -0.04 2.79 2.79 3gzuB1 ASN 609 HD21 0.00 -0.08 0.11 -0.04 7.03 7.02 3gzuB1 ASN 609 HD22 0.01 -0.14 0.15 -0.04 7.74 7.72 3gzuB1 PHE 610 H 0.14 0.38 -0.03 -0.55 8.34 8.28 3gzuB1 PHE 610 HA -0.07 -0.04 0.41 -0.75 4.62 4.17 3gzuB1 PHE 610 HB2 -0.11 -0.00 0.10 -0.04 3.15 3.10 3gzuB1 PHE 610 HB3 -0.09 0.20 0.21 -0.04 3.06 3.34 3gzuB1 PHE 610 HD2 -0.16 0.03 0.09 -0.04 7.28 7.20 3gzuB1 PHE 610 HE2 -0.30 0.03 0.09 -0.04 7.38 7.17 3gzuB1 PHE 610 HZ -0.35 -0.06 0.05 -0.04 7.32 6.92 3gzuB1 HIS 611 H 0.18 0.83 0.04 -0.55 8.41 8.92 3gzuB1 HIS 611 HA -0.13 -0.15 0.49 -0.75 4.63 4.08 3gzuB1 HIS 611 HB2 -0.05 0.30 0.32 -0.04 3.26 3.79 3gzuB1 HIS 611 HB3 -0.05 0.02 0.22 -0.04 3.20 3.34 3gzuB1 HIS 611 HD2 -0.03 -0.09 0.03 -0.04 6.97 6.83 3gzuB1 HIS 611 HE1 0.03 0.25 -0.08 -0.04 7.75 7.91 3gzuB1 SER 612 H 0.07 0.59 0.20 -0.55 8.46 8.77 3gzuB1 SER 612 HA 0.03 0.07 0.50 -0.75 4.49 4.33 3gzuB1 SER 612 HB2 0.01 -0.01 0.20 -0.04 3.95 4.10 3gzuB1 SER 612 HB3 -0.00 0.06 0.26 -0.04 3.93 4.21 3gzuB1 ASN 613 H -0.06 0.65 -0.24 -0.55 8.53 8.33 3gzuB1 ASN 613 HA -0.07 -0.07 0.44 -0.75 4.76 4.31 3gzuB1 ASN 613 HB2 -0.06 -0.02 0.07 -0.04 2.88 2.83 3gzuB1 ASN 613 HB3 -0.20 0.09 0.20 -0.04 2.79 2.84 3gzuB1 ASN 613 HD21 -0.18 0.17 -0.21 -0.04 7.03 6.77 3gzuB1 ASN 613 HD22 -0.20 -0.04 -0.02 -0.04 7.74 7.44 3gzuB1 TYR 614 H -0.24 0.80 0.26 -0.55 8.29 8.56 3gzuB1 TYR 614 HA -0.30 -0.09 0.42 -0.75 4.56 3.84 3gzuB1 TYR 614 HB2 -0.67 -0.00 0.20 -0.04 3.06 2.55 3gzuB1 TYR 614 HB3 -0.38 0.10 0.34 -0.04 2.98 3.00 3gzuB1 TYR 614 HD2 -0.23 0.01 0.01 -0.04 7.15 6.90 3gzuB1 TYR 614 HE2 -0.02 -0.01 0.00 -0.04 6.85 6.78 3gzuB1 ASN 615 H 0.00 0.55 0.02 -0.55 8.53 8.55 3gzuB1 ASN 615 HA -0.24 -0.09 0.30 -0.75 4.76 3.98 3gzuB1 ASN 615 HB2 0.02 0.24 0.08 -0.04 2.88 3.18 3gzuB1 ASN 615 HB3 -0.02 -0.11 -0.06 -0.04 2.79 2.56 3gzuB1 ASN 615 HD21 0.28 0.17 -0.14 -0.04 7.03 7.29 3gzuB1 ASN 615 HD22 0.21 0.28 -0.05 -0.04 7.74 8.14 3gzuB1 GLU 616 H -0.05 0.86 -0.09 -0.55 8.60 8.78 3gzuB1 GLU 616 HA -0.04 -0.13 0.42 -0.75 4.29 3.79 3gzuB1 GLU 616 HB2 -0.03 0.33 0.24 -0.04 2.09 2.58 3gzuB1 GLU 616 HB3 -0.05 -0.01 0.23 -0.04 1.99 2.13 3gzuB1 GLU 616 HG2 -0.04 0.04 0.00 -0.04 2.34 2.30 3gzuB1 GLU 616 HG3 -0.04 -0.14 -0.03 -0.04 2.34 2.09 3gzuB1 ARG 617 H -0.05 0.87 0.16 -0.55 8.46 8.89 3gzuB1 ARG 617 HA 0.04 -0.07 0.38 -0.75 4.34 3.94 3gzuB1 ARG 617 HB2 -0.01 0.08 0.12 -0.04 1.90 2.05 3gzuB1 ARG 617 HB3 0.11 -0.12 0.06 -0.04 1.80 1.81 3gzuB1 ARG 617 HG2 -0.12 0.41 0.12 -0.04 1.67 2.04 3gzuB1 ARG 617 HG3 -0.23 -0.03 -0.06 -0.04 1.67 1.32 3gzuB1 ARG 617 HD2 -0.09 -0.01 0.01 -0.04 3.22 3.08 3gzuB1 ARG 617 HD3 -0.02 -0.11 0.05 -0.04 3.22 3.09 3gzuB1 ILE 618 H 0.02 0.77 -0.24 -0.55 8.25 8.25 3gzuB1 ILE 618 HA -0.14 -0.10 0.37 -0.75 4.18 3.55 3gzuB1 ILE 618 HB -0.18 0.57 0.28 -0.04 1.89 2.52 3gzuB1 ILE 618 HG12 -0.43 0.35 -0.01 -0.04 1.49 1.36 3gzuB1 ILE 618 HG13 -0.68 -0.07 -0.09 -0.04 1.21 0.33 3gzuB1 ILE 618 HG23 -0.16 -0.06 -0.15 -0.04 0.93 0.52 3gzuB1 ILE 618 HD13 -0.22 -0.05 -0.01 -0.04 0.88 0.56 3gzuB1 ASN 619 H -0.06 0.65 0.04 -0.55 8.53 8.61 3gzuB1 ASN 619 HA -0.06 -0.12 0.46 -0.75 4.76 4.28 3gzuB1 ASN 619 HB2 -0.04 0.28 0.27 -0.04 2.88 3.35 3gzuB1 ASN 619 HB3 -0.04 -0.15 0.07 -0.04 2.79 2.63 3gzuB1 ASN 619 HD21 -0.03 -0.10 -0.03 -0.04 7.03 6.83 3gzuB1 ASN 619 HD22 -0.04 0.11 -0.01 -0.04 7.74 7.76 3gzuB1 ASP 620 H -0.03 0.68 0.02 -0.55 8.40 8.52 3gzuB1 ASP 620 HA -0.04 -0.07 0.35 -0.75 4.63 4.11 3gzuB1 ASP 620 HB2 0.02 0.11 0.19 -0.04 2.71 3.00 3gzuB1 ASP 620 HB3 -0.01 -0.09 -0.02 -0.04 2.70 2.55 3gzuB1 ALA 621 H -0.03 1.11 -0.15 -0.55 8.40 8.78 3gzuB1 ALA 621 HA -0.08 -0.09 0.40 -0.75 4.34 3.81 3gzuB1 ALA 621 HB3 -0.35 0.01 0.12 -0.04 1.41 1.14 3gzuB1 VAL 622 H -0.15 0.76 0.18 -0.55 8.24 8.48 3gzuB1 VAL 622 HA -0.12 -0.06 0.31 -0.75 4.13 3.50 3gzuB1 VAL 622 HB -0.07 -0.04 0.24 -0.04 2.12 2.20 3gzuB1 VAL 622 HG13 -0.07 0.04 -0.08 -0.04 0.97 0.83 3gzuB1 VAL 622 HG23 -0.12 0.07 0.06 -0.04 0.95 0.92 3gzuB1 ALA 623 H -0.04 0.58 -0.05 -0.55 8.40 8.34 3gzuB1 ALA 623 HA -0.03 -0.10 0.30 -0.75 4.34 3.76 3gzuB1 ALA 623 HB3 0.13 0.02 0.05 -0.04 1.41 1.56 3gzuB1 ILE 624 H -0.01 0.54 -0.22 -0.55 8.25 8.01 3gzuB1 ILE 624 HA -0.05 -0.06 0.42 -0.75 4.18 3.73 3gzuB1 ILE 624 HB -0.05 0.12 0.28 -0.04 1.89 2.20 3gzuB1 ILE 624 HG12 0.08 -0.11 0.05 -0.04 1.49 1.47 3gzuB1 ILE 624 HG13 0.02 0.44 0.21 -0.04 1.21 1.84 3gzuB1 ILE 624 HG23 -0.04 -0.05 -0.06 -0.04 0.93 0.75 3gzuB1 ILE 624 HD13 -0.00 -0.04 0.01 -0.04 0.88 0.81 3gzuB1 ILE 625 H -0.10 0.45 0.10 -0.55 8.25 8.16 3gzuB1 ILE 625 HA -0.10 -0.09 0.31 -0.75 4.18 3.55 3gzuB1 ILE 625 HB -0.11 0.16 0.12 -0.04 1.89 2.02 3gzuB1 ILE 625 HG12 -0.09 -0.06 0.10 -0.04 1.49 1.39 3gzuB1 ILE 625 HG13 -0.11 0.07 0.05 -0.04 1.21 1.17 3gzuB1 ILE 625 HG23 -0.08 -0.02 -0.21 -0.04 0.93 0.58 3gzuB1 ILE 625 HD13 -0.12 -0.01 -0.01 -0.04 0.88 0.70 3gzuB1 THR 626 H -0.14 0.64 -0.18 -0.55 8.28 8.05 3gzuB1 THR 626 HA -0.11 -0.01 0.41 -0.75 4.39 3.93 3gzuB1 THR 626 HB -0.20 0.10 0.06 -0.04 4.32 4.24 3gzuB1 THR 626 HG23 -0.10 -0.04 -0.08 -0.04 1.22 0.96 3gzuB1 ALA 627 H -0.40 0.67 0.03 -0.55 8.40 8.15 3gzuB1 ALA 627 HA -0.98 -0.09 0.44 -0.75 4.34 2.96 3gzuB1 ALA 627 HB3 -0.76 0.02 0.18 -0.04 1.41 0.81 3gzuB1 ALA 628 H -0.21 0.80 -0.11 -0.55 8.40 8.33 3gzuB1 ALA 628 HA -0.11 -0.08 0.25 -0.75 4.34 3.64 3gzuB1 ALA 628 HB3 -0.08 0.08 0.03 -0.04 1.41 1.40 3gzuB1 ASN 629 H -0.12 0.47 -0.71 -0.55 8.53 7.63 3gzuB1 ASN 629 HA -0.02 0.09 0.70 -0.75 4.76 4.78 3gzuB1 ASN 629 HB2 -0.05 0.18 0.19 -0.04 2.88 3.16 3gzuB1 ASN 629 HB3 -0.01 -0.08 0.01 -0.04 2.79 2.66 3gzuB1 ASN 629 HD21 -0.02 -0.08 -0.08 -0.04 7.03 6.81 3gzuB1 ASN 629 HD22 -0.05 0.12 -0.06 -0.04 7.74 7.71 3gzuB1 ARG 630 H -0.03 0.40 0.18 -0.55 8.46 8.46 3gzuB1 ARG 630 HA 0.03 0.03 0.40 -0.75 4.34 4.04 3gzuB1 ARG 630 HB2 0.09 -0.00 0.14 -0.04 1.90 2.08 3gzuB1 ARG 630 HB3 0.21 0.05 0.12 -0.04 1.80 2.14 3gzuB1 ARG 630 HG2 0.06 -0.01 0.02 -0.04 1.67 1.70 3gzuB1 ARG 630 HG3 0.05 -0.02 -0.05 -0.04 1.67 1.62 3gzuB1 ARG 630 HD2 0.03 0.03 0.16 -0.04 3.22 3.40 3gzuB1 ARG 630 HD3 0.02 -0.01 0.05 -0.04 3.22 3.25 3gzuB1 LEU 631 H -0.04 0.76 -0.35 -0.55 8.37 8.20 3gzuB1 LEU 631 HA -0.03 0.04 0.47 -0.75 4.35 4.08 3gzuB1 LEU 631 HB2 -0.08 0.05 -0.06 -0.04 1.64 1.51 3gzuB1 LEU 631 HB3 -0.07 -0.06 0.09 -0.04 1.64 1.55 3gzuB1 LEU 631 HG 0.03 0.16 0.06 -0.04 1.64 1.85 3gzuB1 LEU 631 HD13 0.05 -0.02 -0.06 -0.04 0.93 0.85 3gzuB1 LEU 631 HD23 0.06 -0.00 -0.15 -0.04 0.89 0.76 3gzuB1 ASN 632 H -0.01 0.37 -1.29 -0.55 8.53 7.06 3gzuB1 ASN 632 HA 0.01 0.14 0.26 -0.75 4.76 4.41 3gzuB1 ASN 632 HB2 -0.01 -0.00 -0.14 -0.04 2.88 2.68 3gzuB1 ASN 632 HB3 -0.07 -0.11 0.15 -0.04 2.79 2.72 3gzuB1 ASN 632 HD21 0.07 -0.05 0.05 -0.04 7.03 7.05 3gzuB1 ASN 632 HD22 0.03 0.01 0.04 -0.04 7.74 7.78 3gzuB1 LEU 633 H -0.07 0.26 -0.76 -0.55 8.37 7.25 3gzuB1 LEU 633 HA 0.04 -0.00 0.55 -0.75 4.35 4.19 3gzuB1 LEU 633 HB2 -0.14 0.06 0.09 -0.04 1.64 1.61 3gzuB1 LEU 633 HB3 -0.05 0.10 0.21 -0.04 1.64 1.86 3gzuB1 LEU 633 HG 0.15 -0.05 -0.03 -0.04 1.64 1.67 3gzuB1 LEU 633 HD13 -0.23 -0.01 0.01 -0.04 0.93 0.66 3gzuB1 LEU 633 HD23 0.01 -0.00 0.08 -0.04 0.89 0.93 3gzuB1 TYR 634 H -0.53 0.62 -0.01 -0.55 8.29 7.82 3gzuB1 TYR 634 HA 0.04 0.09 0.34 -0.75 4.56 4.28 3gzuB1 TYR 634 HB2 0.00 -0.04 0.20 -0.04 3.06 3.18 3gzuB1 TYR 634 HB3 0.02 -0.00 0.08 -0.04 2.98 3.04 3gzuB1 TYR 634 HD2 -0.04 -0.02 0.04 -0.04 7.15 7.09 3gzuB1 TYR 634 HE2 -0.25 -0.07 0.03 -0.04 6.85 6.52 3gzuB1 GLN 635 H 0.11 0.92 0.14 -0.55 8.47 9.10 3gzuB1 GLN 635 HA 0.13 0.11 0.76 -0.75 4.36 4.60 3gzuB1 GLN 635 HB2 0.15 -0.08 0.13 -0.04 2.15 2.31 3gzuB1 GLN 635 HB3 0.12 -0.06 0.06 -0.04 2.02 2.09 3gzuB1 GLN 635 HG2 0.17 0.18 -0.19 -0.04 2.40 2.53 3gzuB1 GLN 635 HG3 0.30 -0.04 -0.42 -0.04 2.39 2.19 3gzuB1 GLN 635 HE21 0.24 -0.02 -0.03 -0.04 6.97 7.12 3gzuB1 GLN 635 HE22 0.23 -0.01 -0.02 -0.04 7.69 7.85 3gzuB1 LYS 636 H 0.07 0.08 0.14 -0.55 8.42 8.15 3gzuB1 LYS 636 HA 0.02 -0.04 0.49 -0.75 4.32 4.04 3gzuB1 LYS 636 HB2 0.01 0.11 -0.05 -0.04 1.87 1.89 3gzuB1 LYS 636 HB3 0.01 -0.12 0.10 -0.04 1.79 1.74 3gzuB1 LYS 636 HG2 0.04 -0.01 0.05 -0.04 1.46 1.50 3gzuB1 LYS 636 HG3 0.05 -0.01 0.12 -0.04 1.46 1.58 3gzuB1 LYS 636 HD2 0.01 0.06 -0.00 -0.04 1.69 1.72 3gzuB1 LYS 636 HD3 0.02 -0.02 0.00 -0.04 1.68 1.64 3gzuB1 LYS 636 HE2 0.04 -0.02 0.01 -0.04 2.99 2.97 3gzuB1 LYS 636 HE3 0.04 0.00 0.01 -0.04 2.99 3.00 3gzuB1 LYS 637 H -0.03 -0.03 -0.06 -0.55 8.42 7.75 3gzuB1 LYS 637 HA -0.05 0.05 0.32 -0.75 4.32 3.89 3gzuB1 LYS 637 HB2 -0.01 0.25 0.32 -0.04 1.87 2.39 3gzuB1 LYS 637 HB3 -0.01 -0.05 -0.39 -0.04 1.79 1.30 3gzuB1 LYS 637 HG2 -0.06 -0.07 -0.41 -0.04 1.46 0.89 3gzuB1 LYS 637 HG3 -0.04 0.03 -0.04 -0.04 1.46 1.36 3gzuB1 LYS 637 HD2 0.00 0.07 -0.10 -0.04 1.69 1.62 3gzuB1 LYS 637 HD3 0.01 -0.01 -0.13 -0.04 1.68 1.51 3gzuB1 LYS 637 HE2 -0.01 -0.07 -0.12 -0.04 2.99 2.75 3gzuB1 LYS 637 HE3 -0.01 0.03 -0.10 -0.04 2.99 2.87 3gzuB1 MET 638 H -0.07 0.00 -0.02 -0.55 8.47 7.83 3gzuB1 MET 638 HA -0.29 0.18 0.41 -0.75 4.52 4.06 3gzuB1 MET 638 HB2 -0.25 -0.43 0.28 -0.04 2.15 1.70 3gzuB1 MET 638 HB3 -0.61 0.09 0.15 -0.04 2.03 1.62 3gzuB1 MET 638 HG2 -0.04 0.00 0.10 -0.04 2.63 2.64 3gzuB1 MET 638 HG3 -0.01 0.01 0.08 -0.04 2.56 2.60 3gzuB1 MET 638 HE3 0.02 0.02 -0.08 -0.04 2.10 2.02 3gzuB1 LYS 639 H -0.27 0.14 0.10 -0.55 8.42 7.85 3gzuB1 LYS 639 HA -0.11 0.08 0.30 -0.75 4.32 3.84 3gzuB1 LYS 639 HB2 -0.02 -0.05 0.15 -0.04 1.87 1.91 3gzuB1 LYS 639 HB3 -0.00 0.05 0.04 -0.04 1.79 1.84 3gzuB1 LYS 639 HG2 0.02 0.03 0.07 -0.04 1.46 1.54 3gzuB1 LYS 639 HG3 -0.10 -0.05 0.14 -0.04 1.46 1.41 3gzuB1 LYS 639 HD2 0.08 0.00 0.05 -0.04 1.69 1.78 3gzuB1 LYS 639 HD3 0.08 0.04 0.04 -0.04 1.68 1.80 3gzuB1 LYS 639 HE2 0.29 -0.00 0.05 -0.04 2.99 3.28 3gzuB1 LYS 639 HE3 0.38 -0.01 0.05 -0.04 2.99 3.37 3gzuB1 ALA 640 H -0.03 0.04 -0.15 -0.55 8.40 7.72 3gzuB1 ALA 640 HA 0.00 0.03 0.25 -0.75 4.34 3.88 3gzuB1 ALA 640 HB3 -0.01 0.01 0.04 -0.04 1.41 1.41 3gzuB1 ILE 641 H -0.04 0.19 -0.11 -0.55 8.25 7.74 3gzuB1 ILE 641 HA 0.00 0.05 0.48 -0.75 4.18 3.96 3gzuB1 ILE 641 HB -0.07 0.09 0.07 -0.04 1.89 1.93 3gzuB1 ILE 641 HG12 -0.03 0.00 0.00 -0.04 1.49 1.42 3gzuB1 ILE 641 HG13 -0.04 -0.22 0.08 -0.04 1.21 0.99 3gzuB1 ILE 641 HG23 -0.04 0.01 0.05 -0.04 0.93 0.90 3gzuB1 ILE 641 HD13 -0.07 0.07 0.05 -0.04 0.88 0.89 3gzuB1 VAL 642 H -0.04 0.35 0.06 -0.55 8.24 8.06 3gzuB1 VAL 642 HA 0.04 0.04 0.39 -0.75 4.13 3.84 3gzuB1 VAL 642 HB -0.00 -0.08 0.11 -0.04 2.12 2.11 3gzuB1 VAL 642 HG13 0.06 -0.02 -0.06 -0.04 0.97 0.90 3gzuB1 VAL 642 HG23 -0.09 0.05 -0.01 -0.04 0.95 0.86 3gzuB1 GLU 643 H 0.03 0.37 -0.28 -0.55 8.60 8.17 3gzuB1 GLU 643 HA 0.07 -0.03 0.33 -0.75 4.29 3.90 3gzuB1 GLU 643 HB2 0.03 0.14 0.05 -0.04 2.09 2.28 3gzuB1 GLU 643 HB3 0.04 0.00 -0.04 -0.04 1.99 1.95 3gzuB1 GLU 643 HG2 0.04 -0.04 -0.02 -0.04 2.34 2.28 3gzuB1 GLU 643 HG3 0.02 -0.08 -0.20 -0.04 2.34 2.04 3gzuB1 ASP 644 H 0.05 0.31 -0.10 -0.55 8.40 8.11 3gzuB1 ASP 644 HA 0.03 -0.02 0.35 -0.75 4.63 4.24 3gzuB1 ASP 644 HB2 0.05 0.12 0.13 -0.04 2.71 2.97 3gzuB1 ASP 644 HB3 0.03 0.02 -0.01 -0.04 2.70 2.70 3gzuB1 PHE 645 H 0.20 0.54 -0.20 -0.55 8.34 8.32 3gzuB1 PHE 645 HA -0.03 0.01 0.36 -0.75 4.62 4.21 3gzuB1 PHE 645 HB2 -0.02 0.05 0.11 -0.04 3.15 3.25 3gzuB1 PHE 645 HB3 0.00 0.15 0.27 -0.04 3.06 3.44 3gzuB1 PHE 645 HD2 -0.01 -0.02 -0.05 -0.04 7.28 7.16 3gzuB1 PHE 645 HE2 -0.04 -0.06 -0.28 -0.04 7.38 6.96 3gzuB1 PHE 645 HZ -0.16 0.03 -0.05 -0.04 7.32 7.10 3gzuB1 LEU 646 H 0.20 0.49 0.02 -0.55 8.37 8.53 3gzuB1 LEU 646 HA -0.02 0.01 0.36 -0.75 4.35 3.94 3gzuB1 LEU 646 HB2 0.15 0.00 0.07 -0.04 1.64 1.82 3gzuB1 LEU 646 HB3 0.30 -0.06 0.03 -0.04 1.64 1.88 3gzuB1 LEU 646 HG 0.18 0.57 0.18 -0.04 1.64 2.53 3gzuB1 LEU 646 HD13 0.06 -0.06 -0.06 -0.04 0.93 0.82 3gzuB1 LEU 646 HD23 0.35 -0.05 -0.00 -0.04 0.89 1.14 3gzuB1 LYS 647 H 0.04 0.48 -0.10 -0.55 8.42 8.29 3gzuB1 LYS 647 HA 0.04 0.03 0.42 -0.75 4.32 4.07 3gzuB1 LYS 647 HB2 0.00 0.14 0.19 -0.04 1.87 2.16 3gzuB1 LYS 647 HB3 -0.03 -0.01 -0.03 -0.04 1.79 1.68 3gzuB1 LYS 647 HG2 0.06 -0.02 0.05 -0.04 1.46 1.51 3gzuB1 LYS 647 HG3 0.06 -0.02 0.03 -0.04 1.46 1.48 3gzuB1 LYS 647 HD2 0.02 -0.02 -0.06 -0.04 1.69 1.59 3gzuB1 LYS 647 HD3 0.02 0.01 -0.02 -0.04 1.68 1.66 3gzuB1 LYS 647 HE2 0.05 -0.00 -0.03 -0.04 2.99 2.96 3gzuB1 LYS 647 HE3 0.04 -0.06 -0.06 -0.04 2.99 2.88 3gzuB1 ARG 648 H -0.13 0.59 -0.08 -0.55 8.46 8.29 3gzuB1 ARG 648 HA -0.34 -0.01 0.41 -0.75 4.34 3.65 3gzuB1 ARG 648 HB2 -0.18 0.17 0.13 -0.04 1.90 1.98 3gzuB1 ARG 648 HB3 -0.18 -0.03 0.06 -0.04 1.80 1.61 3gzuB1 ARG 648 HG2 -0.11 -0.06 0.06 -0.04 1.67 1.52 3gzuB1 ARG 648 HG3 -0.08 0.10 0.10 -0.04 1.67 1.75 3gzuB1 ARG 648 HD2 -0.04 0.01 -0.01 -0.04 3.22 3.13 3gzuB1 ARG 648 HD3 -0.06 0.01 0.01 -0.04 3.22 3.14 3gzuB1 LEU 649 H -0.27 0.36 -0.41 -0.55 8.37 7.51 3gzuB1 LEU 649 HA -0.25 0.03 0.49 -0.75 4.35 3.87 3gzuB1 LEU 649 HB2 -0.26 0.21 0.07 -0.04 1.64 1.62 3gzuB1 LEU 649 HB3 -0.32 -0.13 0.09 -0.04 1.64 1.24 3gzuB1 LEU 649 HG -0.57 0.40 0.07 -0.04 1.64 1.50 3gzuB1 LEU 649 HD13 -0.47 -0.08 -0.07 -0.04 0.93 0.27 3gzuB1 LEU 649 HD23 -0.44 -0.02 -0.04 -0.04 0.89 0.36 3gzuB1 HIS 650 H -0.26 0.53 -0.39 -0.55 8.41 7.74 3gzuB1 HIS 650 HA -0.11 0.06 0.41 -0.75 4.63 4.24 3gzuB1 HIS 650 HB2 -0.12 0.16 0.01 -0.04 3.26 3.27 3gzuB1 HIS 650 HB3 -0.19 -0.08 0.06 -0.04 3.20 2.95 3gzuB1 HIS 650 HD2 -0.08 -0.08 0.05 -0.04 6.97 6.81 3gzuB1 HIS 650 HE1 -0.05 -0.04 0.01 -0.04 7.75 7.62 3gzuB1 ILE 651 H -0.12 0.49 0.37 -0.55 8.25 8.45 3gzuB1 ILE 651 HA -0.28 -0.04 0.37 -0.75 4.18 3.47 3gzuB1 ILE 651 HB -0.28 0.05 0.16 -0.04 1.89 1.77 3gzuB1 ILE 651 HG12 -0.26 0.00 -0.43 -0.04 1.49 0.76 3gzuB1 ILE 651 HG13 -0.23 -0.03 0.07 -0.04 1.21 0.98 3gzuB1 ILE 651 HG23 -1.50 -0.00 -0.14 -0.04 0.93 -0.75 3gzuB1 ILE 651 HD13 -0.19 0.00 -0.13 -0.04 0.88 0.52 3gzuB1 PHE 652 H -0.52 0.09 -0.23 -0.55 8.34 7.12 3gzuB1 PHE 652 HA 0.31 0.21 1.20 -0.75 4.62 5.59 3gzuB1 PHE 652 HB2 0.10 -0.16 -0.04 -0.04 3.15 3.01 3gzuB1 PHE 652 HB3 0.10 0.20 0.04 -0.04 3.06 3.36 3gzuB1 PHE 652 HD2 0.03 0.00 -0.12 -0.04 7.28 7.15 3gzuB1 PHE 652 HE2 -0.06 -0.01 -0.04 -0.04 7.38 7.23 3gzuB1 PHE 652 HZ -0.05 -0.00 -0.04 -0.04 7.32 7.18 3gzuB1 ASP 653 H 0.35 0.33 0.03 -0.55 8.40 8.56 3gzuB1 ASP 653 HA 0.27 0.19 0.64 -0.75 4.63 4.98 3gzuB1 ASP 653 HB2 -0.19 -0.05 0.05 -0.04 2.71 2.48 3gzuB1 ASP 653 HB3 -0.61 0.03 -0.00 -0.04 2.70 2.08 3gzuB1 VAL 654 H 0.20 0.36 -0.25 -0.55 8.24 8.00 3gzuB1 VAL 654 HA 0.03 0.02 0.20 -0.75 4.13 3.63 3gzuB1 VAL 654 HB 0.06 -0.06 0.00 -0.04 2.12 2.08 3gzuB1 VAL 654 HG13 0.05 0.02 0.03 -0.04 0.97 1.02 3gzuB1 VAL 654 HG23 0.11 0.04 0.02 -0.04 0.95 1.08 3gzuB1 ALA 655 H 0.03 0.05 0.08 -0.55 8.40 8.02 3gzuB1 ALA 655 HA 0.02 -0.05 0.42 -0.75 4.34 3.98 3gzuB1 ALA 655 HB3 -0.00 0.03 0.05 -0.04 1.41 1.44 3gzuB1 ARG 656 H -0.00 0.27 0.18 -0.55 8.46 8.35 3gzuB1 ARG 656 HA -0.00 0.01 0.43 -0.75 4.34 4.03 3gzuB1 ARG 656 HB2 -0.00 0.00 -0.13 -0.04 1.90 1.72 3gzuB1 ARG 656 HB3 -0.00 0.17 0.04 -0.04 1.80 1.96 3gzuB1 ARG 656 HG2 -0.01 -0.07 0.07 -0.04 1.67 1.62 3gzuB1 ARG 656 HG3 -0.02 -0.04 0.07 -0.04 1.67 1.64 3gzuB1 ARG 656 HD2 -0.02 0.15 0.05 -0.04 3.22 3.35 3gzuB1 ARG 656 HD3 -0.01 -0.01 0.15 -0.04 3.22 3.31 3gzuB1 VAL 657 H 0.01 0.26 -1.34 -0.55 8.24 6.62 3gzuB1 VAL 657 HA -0.02 0.15 0.65 -0.75 4.13 4.16 3gzuB1 VAL 657 HB 0.01 -0.09 -0.07 -0.04 2.12 1.94 3gzuB1 VAL 657 HG13 0.00 -0.01 -0.14 -0.04 0.97 0.79 3gzuB1 VAL 657 HG23 -0.06 0.11 -0.26 -0.04 0.95 0.70 3gzuB1 PRO 658 HA 0.00 0.06 0.41 -0.51 4.44 4.40 3gzuB1 PRO 658 HB2 -0.02 -0.10 0.06 -0.04 2.28 2.18 3gzuB1 PRO 658 HB3 -0.02 0.01 0.13 -0.04 2.02 2.10 3gzuB1 PRO 658 HG2 -0.01 0.04 0.14 -0.04 2.03 2.15 3gzuB1 PRO 658 HG3 -0.01 0.12 0.12 -0.04 2.03 2.21 3gzuB1 PRO 658 HD2 -0.00 -0.02 0.18 -0.04 3.68 3.80 3gzuB1 PRO 658 HD3 -0.00 0.59 0.19 -0.04 3.65 4.38 3gzuB1 ASP 659 H 0.00 0.19 0.21 -0.55 8.40 8.25 3gzuB1 ASP 659 HA 0.08 0.11 0.47 -0.75 4.63 4.53 3gzuB1 ASP 659 HB2 -0.04 0.00 0.16 -0.04 2.71 2.80 3gzuB1 ASP 659 HB3 -0.07 -0.00 0.06 -0.04 2.70 2.65 3gzuB1 ASP 660 H -0.02 0.14 -0.16 -0.55 8.40 7.80 3gzuB1 ASP 660 HA -0.03 0.07 0.40 -0.75 4.63 4.32 3gzuB1 ASP 660 HB2 -0.06 0.04 0.10 -0.04 2.71 2.76 3gzuB1 ASP 660 HB3 -0.05 -0.02 0.09 -0.04 2.70 2.67 3gzuB1 GLN 661 H 0.03 0.41 -0.78 -0.55 8.47 7.58 3gzuB1 GLN 661 HA -0.01 0.12 0.51 -0.75 4.36 4.23 3gzuB1 GLN 661 HB2 0.06 0.13 0.00 -0.04 2.15 2.31 3gzuB1 GLN 661 HB3 0.13 -0.04 -0.04 -0.04 2.02 2.03 3gzuB1 GLN 661 HG2 -0.01 -0.14 -0.07 -0.04 2.40 2.14 3gzuB1 GLN 661 HG3 0.01 0.05 0.02 -0.04 2.39 2.43 3gzuB1 GLN 661 HE21 -0.09 0.04 0.05 -0.04 6.97 6.93 3gzuB1 GLN 661 HE22 -0.02 0.05 0.05 -0.04 7.69 7.73 3gzuB1 MET 662 H 0.11 0.35 0.00 -0.55 8.47 8.39 3gzuB1 MET 662 HA 0.11 0.08 0.32 -0.75 4.52 4.27 3gzuB1 MET 662 HB2 0.17 0.00 0.13 -0.04 2.15 2.42 3gzuB1 MET 662 HB3 0.05 -0.05 -0.02 -0.04 2.03 1.98 3gzuB1 MET 662 HG2 0.06 0.01 -0.03 -0.04 2.63 2.63 3gzuB1 MET 662 HG3 0.07 0.12 -0.02 -0.04 2.56 2.69 3gzuB1 MET 662 HE3 0.04 -0.02 -0.06 -0.04 2.10 2.02 3gzuB1 TYR 663 H 0.38 0.41 -0.16 -0.55 8.29 8.38 3gzuB1 TYR 663 HA 0.03 0.02 0.38 -0.75 4.56 4.23 3gzuB1 TYR 663 HB2 0.01 0.08 0.09 -0.04 3.06 3.21 3gzuB1 TYR 663 HB3 0.02 0.02 -0.02 -0.04 2.98 2.95 3gzuB1 TYR 663 HD2 0.01 0.05 0.05 -0.04 7.15 7.22 3gzuB1 TYR 663 HE2 0.01 0.02 0.03 -0.04 6.85 6.87 3gzuB1 ARG 664 H 0.17 0.31 -0.33 -0.55 8.46 8.06 3gzuB1 ARG 664 HA 0.13 -0.03 0.35 -0.75 4.34 4.04 3gzuB1 ARG 664 HB2 0.02 0.13 0.21 -0.04 1.90 2.22 3gzuB1 ARG 664 HB3 0.11 0.11 0.17 -0.04 1.80 2.15 3gzuB1 ARG 664 HG2 0.18 -0.03 -0.11 -0.04 1.67 1.68 3gzuB1 ARG 664 HG3 0.15 -0.06 0.07 -0.04 1.67 1.79 3gzuB1 ARG 664 HD2 -0.05 -0.02 0.04 -0.04 3.22 3.15 3gzuB1 ARG 664 HD3 -0.28 -0.01 -0.01 -0.04 3.22 2.88 3gzuB1 LEU 665 H 0.24 0.51 -0.45 -0.55 8.37 8.12 3gzuB1 LEU 665 HA 0.07 -0.02 0.36 -0.75 4.35 4.02 3gzuB1 LEU 665 HB2 0.17 0.11 0.12 -0.04 1.64 1.99 3gzuB1 LEU 665 HB3 0.03 0.05 0.03 -0.04 1.64 1.71 3gzuB1 LEU 665 HG -0.05 -0.00 -0.01 -0.04 1.64 1.54 3gzuB1 LEU 665 HD13 -0.22 -0.01 -0.03 -0.04 0.93 0.62 3gzuB1 LEU 665 HD23 0.10 -0.02 -0.05 -0.04 0.89 0.88 3gzuB1 ARG 666 H 0.03 0.42 -0.15 -0.55 8.46 8.21 3gzuB1 ARG 666 HA -0.08 0.03 0.47 -0.75 4.34 4.00 3gzuB1 ARG 666 HB2 -0.08 0.01 0.07 -0.04 1.90 1.86 3gzuB1 ARG 666 HB3 -0.09 -0.02 0.17 -0.04 1.80 1.81 3gzuB1 ARG 666 HG2 0.03 0.31 0.21 -0.04 1.67 2.18 3gzuB1 ARG 666 HG3 -0.00 0.03 -0.30 -0.04 1.67 1.36 3gzuB1 ARG 666 HD2 -0.06 0.04 -0.09 -0.04 3.22 3.07 3gzuB1 ARG 666 HD3 -0.15 -0.12 0.01 -0.04 3.22 2.92 3gzuB1 ASP 667 H 0.06 0.48 -0.00 -0.55 8.40 8.39 3gzuB1 ASP 667 HA 0.03 -0.03 0.26 -0.75 4.63 4.14 3gzuB1 ASP 667 HB2 0.09 0.13 0.17 -0.04 2.71 3.06 3gzuB1 ASP 667 HB3 0.06 -0.01 -0.02 -0.04 2.70 2.69 3gzuB1 ARG 668 H 0.06 0.33 -0.55 -0.55 8.46 7.75 3gzuB1 ARG 668 HA 0.03 0.05 0.55 -0.75 4.34 4.21 3gzuB1 ARG 668 HB2 0.03 0.09 0.10 -0.04 1.90 2.08 3gzuB1 ARG 668 HB3 -0.01 -0.01 -0.06 -0.04 1.80 1.69 3gzuB1 ARG 668 HG2 0.07 -0.01 0.02 -0.04 1.67 1.72 3gzuB1 ARG 668 HG3 0.14 -0.01 -0.03 -0.04 1.67 1.73 3gzuB1 ARG 668 HD2 0.03 -0.01 -0.07 -0.04 3.22 3.13 3gzuB1 ARG 668 HD3 0.04 -0.07 -0.02 -0.04 3.22 3.12 3gzuB1 LEU 669 H -0.05 0.42 0.06 -0.55 8.37 8.25 3gzuB1 LEU 669 HA -0.10 0.01 0.41 -0.75 4.35 3.92 3gzuB1 LEU 669 HB2 -0.12 0.01 0.26 -0.04 1.64 1.75 3gzuB1 LEU 669 HB3 -0.17 -0.06 0.02 -0.04 1.64 1.38 3gzuB1 LEU 669 HG -0.15 0.14 0.16 -0.04 1.64 1.75 3gzuB1 LEU 669 HD13 -0.27 -0.06 -0.12 -0.04 0.93 0.44 3gzuB1 LEU 669 HD23 -0.32 -0.02 0.02 -0.04 0.89 0.54 3gzuB1 ARG 670 H -0.05 0.56 -0.13 -0.55 8.46 8.29 3gzuB1 ARG 670 HA -0.06 0.00 0.30 -0.75 4.34 3.83 3gzuB1 ARG 670 HB2 -0.03 -0.06 0.06 -0.04 1.90 1.83 3gzuB1 ARG 670 HB3 -0.04 -0.06 0.00 -0.04 1.80 1.66 3gzuB1 ARG 670 HG2 -0.01 0.29 -0.13 -0.04 1.67 1.78 3gzuB1 ARG 670 HG3 -0.01 -0.04 -0.19 -0.04 1.67 1.39 3gzuB1 ARG 670 HD2 -0.01 -0.08 -0.27 -0.04 3.22 2.82 3gzuB1 ARG 670 HD3 0.01 -0.03 -0.04 -0.04 3.22 3.11 3gzuB1 LEU 671 H -0.03 0.40 -0.77 -0.55 8.37 7.42 3gzuB1 LEU 671 HA -0.01 0.15 0.91 -0.75 4.35 4.65 3gzuB1 LEU 671 HB2 0.00 0.06 0.17 -0.04 1.64 1.83 3gzuB1 LEU 671 HB3 0.00 -0.11 0.18 -0.04 1.64 1.67 3gzuB1 LEU 671 HG 0.00 0.24 0.01 -0.04 1.64 1.84 3gzuB1 LEU 671 HD13 0.02 -0.05 0.03 -0.04 0.93 0.89 3gzuB1 LEU 671 HD23 0.00 -0.02 -0.28 -0.04 0.89 0.55 3gzuB1 LEU 672 H -0.03 0.30 -0.15 -0.55 8.37 7.94 3gzuB1 LEU 672 HA -0.01 0.15 1.03 -0.75 4.35 4.76 3gzuB1 LEU 672 HB2 -0.05 0.09 0.07 -0.04 1.64 1.71 3gzuB1 LEU 672 HB3 -0.03 -0.09 0.07 -0.04 1.64 1.55 3gzuB1 LEU 672 HG -0.03 0.08 -0.22 -0.04 1.64 1.43 3gzuB1 LEU 672 HD13 -0.04 -0.01 -0.02 -0.04 0.93 0.81 3gzuB1 LEU 672 HD23 -0.00 0.07 0.08 -0.04 0.89 0.99 3gzuB1 PRO 673 HA -0.01 0.09 0.39 -0.51 4.44 4.40 3gzuB1 PRO 673 HB2 -0.00 -0.17 0.16 -0.04 2.28 2.23 3gzuB1 PRO 673 HB3 0.00 0.03 0.12 -0.04 2.02 2.13 3gzuB1 PRO 673 HG2 -0.01 0.01 -0.15 -0.04 2.03 1.84 3gzuB1 PRO 673 HG3 -0.00 0.02 0.04 -0.04 2.03 2.04 3gzuB1 PRO 673 HD2 -0.01 0.12 0.17 -0.04 3.68 3.91 3gzuB1 PRO 673 HD3 -0.00 0.12 0.18 -0.04 3.65 3.91 3gzuB1 VAL 674 H -0.00 0.19 0.04 -0.55 8.24 7.92 3gzuB1 VAL 674 HA -0.02 0.14 0.56 -0.75 4.13 4.05 3gzuB1 VAL 674 HB 0.01 -0.08 -0.03 -0.04 2.12 1.98 3gzuB1 VAL 674 HG13 0.01 0.00 -0.03 -0.04 0.97 0.91 3gzuB1 VAL 674 HG23 -0.02 0.04 -0.33 -0.04 0.95 0.61 3gzuB1 GLU 675 H -0.01 0.23 0.08 -0.55 8.60 8.35 3gzuB1 GLU 675 HA 0.01 0.04 0.49 -0.75 4.29 4.07 3gzuB1 GLU 675 HB2 -0.00 0.11 0.15 -0.04 2.09 2.30 3gzuB1 GLU 675 HB3 -0.01 0.01 0.19 -0.04 1.99 2.14 3gzuB1 GLU 675 HG2 0.01 -0.20 -0.06 -0.04 2.34 2.05 3gzuB1 GLU 675 HG3 0.04 -0.05 -0.13 -0.04 2.34 2.16 3gzuB1 VAL 676 H 0.02 0.14 0.29 -0.55 8.24 8.14 3gzuB1 VAL 676 HA 0.01 0.02 0.38 -0.75 4.13 3.78 3gzuB1 VAL 676 HB 0.05 0.02 0.06 -0.04 2.12 2.20 3gzuB1 VAL 676 HG13 0.02 0.01 0.02 -0.04 0.97 0.98 3gzuB1 VAL 676 HG23 0.04 -0.00 0.15 -0.04 0.95 1.10 3gzuB1 ARG 677 H 0.02 0.00 -0.41 -0.55 8.46 7.53 3gzuB1 ARG 677 HA -0.12 0.06 0.29 -0.75 4.34 3.81 3gzuB1 ARG 677 HB2 0.05 -0.09 0.07 -0.04 1.90 1.89 3gzuB1 ARG 677 HB3 -0.03 -0.07 0.09 -0.04 1.80 1.75 3gzuB1 ARG 677 HG2 -0.09 0.05 -0.05 -0.04 1.67 1.54 3gzuB1 ARG 677 HG3 0.13 -0.00 0.02 -0.04 1.67 1.79 3gzuB1 ARG 677 HD2 0.04 -0.08 0.01 -0.04 3.22 3.15 3gzuB1 ARG 677 HD3 -0.05 -0.00 -0.03 -0.04 3.22 3.10 3gzuB1 ARG 678 H -0.02 0.06 -0.03 -0.55 8.46 7.92 3gzuB1 ARG 678 HA -0.07 0.05 0.29 -0.75 4.34 3.85 3gzuB1 ARG 678 HB2 0.03 -0.19 0.06 -0.04 1.90 1.76 3gzuB1 ARG 678 HB3 0.02 0.02 0.03 -0.04 1.80 1.83 3gzuB1 ARG 678 HG2 -0.02 -0.01 0.13 -0.04 1.67 1.73 3gzuB1 ARG 678 HG3 -0.02 -0.11 0.05 -0.04 1.67 1.55 3gzuB1 ARG 678 HD2 -0.06 0.05 -0.15 -0.04 3.22 3.02 3gzuB1 ARG 678 HD3 -0.09 0.04 -0.00 -0.04 3.22 3.13 3gzuB1 LEU 679 H 0.04 0.17 -0.34 -0.55 8.37 7.70 3gzuB1 LEU 679 HA 0.16 -0.05 0.29 -0.75 4.35 3.99 3gzuB1 LEU 679 HB2 0.04 -0.04 -0.10 -0.04 1.64 1.50 3gzuB1 LEU 679 HB3 0.03 0.04 -0.00 -0.04 1.64 1.66 3gzuB1 LEU 679 HG 0.06 -0.03 -0.15 -0.04 1.64 1.48 3gzuB1 LEU 679 HD13 0.09 -0.00 -0.04 -0.04 0.93 0.93 3gzuB1 LEU 679 HD23 0.02 -0.01 -0.02 -0.04 0.89 0.84 3gzuB1 ASP 680 H -0.01 0.87 0.00 -0.55 8.40 8.71 3gzuB1 ASP 680 HA -0.09 -0.14 0.28 -0.75 4.63 3.93 3gzuB1 ASP 680 HB2 -0.12 0.38 0.11 -0.04 2.71 3.04 3gzuB1 ASP 680 HB3 -0.48 -0.01 -0.03 -0.04 2.70 2.13 3gzuB1 ILE 681 H 0.05 0.70 -0.38 -0.55 8.25 8.07 3gzuB1 ILE 681 HA -0.00 0.06 0.64 -0.75 4.18 4.12 3gzuB1 ILE 681 HB -0.04 0.11 0.06 -0.04 1.89 1.97 3gzuB1 ILE 681 HG12 -0.14 0.04 -0.05 -0.04 1.49 1.30 3gzuB1 ILE 681 HG13 0.05 -0.12 -0.08 -0.04 1.21 1.02 3gzuB1 ILE 681 HG23 0.16 0.22 0.08 -0.04 0.93 1.34 3gzuB1 ILE 681 HD13 -0.03 -0.01 0.01 -0.04 0.88 0.81 3gzuB1 PHE 682 H 0.41 0.52 0.17 -0.55 8.34 8.89 3gzuB1 PHE 682 HA 0.08 -0.02 0.42 -0.75 4.62 4.35 3gzuB1 PHE 682 HB2 -0.48 0.03 0.11 -0.04 3.15 2.77 3gzuB1 PHE 682 HB3 -0.03 0.15 0.18 -0.04 3.06 3.32 3gzuB1 PHE 682 HD2 -0.22 0.00 -0.01 -0.04 7.28 7.01 3gzuB1 PHE 682 HE2 -0.13 -0.00 -0.04 -0.04 7.38 7.17 3gzuB1 PHE 682 HZ -0.11 -0.02 -0.01 -0.04 7.32 7.14 3gzuB1 ASN 683 H 0.03 0.49 -0.23 -0.55 8.53 8.27 3gzuB1 ASN 683 HA -0.39 -0.01 0.35 -0.75 4.76 3.96 3gzuB1 ASN 683 HB2 -0.08 0.21 -0.02 -0.04 2.88 2.95 3gzuB1 ASN 683 HB3 -0.11 -0.05 -0.01 -0.04 2.79 2.59 3gzuB1 ASN 683 HD21 0.02 -0.01 -0.05 -0.04 7.03 6.94 3gzuB1 ASN 683 HD22 -0.11 -0.03 -0.01 -0.04 7.74 7.55 3gzuB1 LEU 684 H -0.01 0.38 -0.55 -0.55 8.37 7.64 3gzuB1 LEU 684 HA -0.01 0.00 0.46 -0.75 4.35 4.05 3gzuB1 LEU 684 HB2 0.02 0.12 0.17 -0.04 1.64 1.91 3gzuB1 LEU 684 HB3 0.18 0.18 0.18 -0.04 1.64 2.13 3gzuB1 LEU 684 HG 0.21 -0.07 -0.13 -0.04 1.64 1.61 3gzuB1 LEU 684 HD13 0.02 -0.02 0.03 -0.04 0.93 0.91 3gzuB1 LEU 684 HD23 0.26 0.00 -0.09 -0.04 0.89 1.02 3gzuB1 ILE 685 H 0.11 0.50 0.04 -0.55 8.25 8.35 3gzuB1 ILE 685 HA 0.21 0.02 0.39 -0.75 4.18 4.04 3gzuB1 ILE 685 HB 0.15 0.05 0.10 -0.04 1.89 2.15 3gzuB1 ILE 685 HG12 0.32 -0.03 -0.01 -0.04 1.49 1.73 3gzuB1 ILE 685 HG13 0.23 0.42 0.15 -0.04 1.21 1.97 3gzuB1 ILE 685 HG23 0.30 -0.02 -0.06 -0.04 0.93 1.11 3gzuB1 ILE 685 HD13 0.42 -0.02 -0.09 -0.04 0.88 1.15 3gzuB1 LEU 686 H -0.23 0.67 -0.15 -0.55 8.37 8.12 3gzuB1 LEU 686 HA -0.10 -0.03 0.38 -0.75 4.35 3.84 3gzuB1 LEU 686 HB2 -0.55 0.01 0.08 -0.04 1.64 1.14 3gzuB1 LEU 686 HB3 -0.40 0.13 0.11 -0.04 1.64 1.43 3gzuB1 LEU 686 HG -0.15 -0.00 -0.26 -0.04 1.64 1.19 3gzuB1 LEU 686 HD13 -0.13 -0.03 0.03 -0.04 0.93 0.77 3gzuB1 LEU 686 HD23 -0.21 -0.00 -0.03 -0.04 0.89 0.61 3gzuB1 MET 687 H -0.09 0.43 -0.26 -0.55 8.47 8.01 3gzuB1 MET 687 HA -0.05 -0.01 0.30 -0.75 4.52 4.00 3gzuB1 MET 687 HB2 -0.03 -0.09 0.08 -0.04 2.15 2.08 3gzuB1 MET 687 HB3 -0.06 0.03 0.14 -0.04 2.03 2.10 3gzuB1 MET 687 HG2 -0.02 0.16 0.27 -0.04 2.63 3.00 3gzuB1 MET 687 HG3 -0.00 -0.02 -0.02 -0.04 2.56 2.48 3gzuB1 MET 687 HE3 -0.04 0.01 -0.03 -0.04 2.10 1.99 3gzuB1 ASN 688 H 0.03 0.42 -0.35 -0.55 8.53 8.09 3gzuB1 ASN 688 HA 0.03 0.09 0.79 -0.75 4.76 4.92 3gzuB1 ASN 688 HB2 0.04 0.11 0.03 -0.04 2.88 3.02 3gzuB1 ASN 688 HB3 0.02 -0.11 0.07 -0.04 2.79 2.73 3gzuB1 ASN 688 HD21 -0.00 0.00 -0.09 -0.04 7.03 6.90 3gzuB1 ASN 688 HD22 0.01 -0.05 -0.05 -0.04 7.74 7.61 3gzuB1 MET 689 H 0.08 0.47 -0.16 -0.55 8.47 8.32 3gzuB1 MET 689 HA 0.70 -0.01 0.35 -0.75 4.52 4.81 3gzuB1 MET 689 HB2 -0.04 0.09 0.13 -0.04 2.15 2.29 3gzuB1 MET 689 HB3 -0.08 0.08 0.20 -0.04 2.03 2.18 3gzuB1 MET 689 HG2 -0.36 -0.05 -0.24 -0.04 2.63 1.93 3gzuB1 MET 689 HG3 -1.75 -0.03 -0.05 -0.04 2.56 0.69 3gzuB1 MET 689 HE3 -0.16 -0.01 -0.02 -0.04 2.10 1.87 3gzuB1 ASP 690 H -0.00 0.24 -0.13 -0.55 8.40 7.96 3gzuB1 ASP 690 HA 0.03 -0.02 0.31 -0.75 4.63 4.19 3gzuB1 ASP 690 HB2 0.01 0.08 0.07 -0.04 2.71 2.84 3gzuB1 ASP 690 HB3 0.03 0.03 -0.05 -0.04 2.70 2.67 3gzuB1 GLN 691 H 0.05 0.14 -0.22 -0.55 8.47 7.89 3gzuB1 GLN 691 HA 0.04 -0.02 0.29 -0.75 4.36 3.92 3gzuB1 GLN 691 HB2 0.04 -0.03 0.12 -0.04 2.15 2.25 3gzuB1 GLN 691 HB3 0.06 0.14 0.09 -0.04 2.02 2.26 3gzuB1 GLN 691 HG2 0.08 -0.01 -0.10 -0.04 2.40 2.33 3gzuB1 GLN 691 HG3 0.05 -0.01 0.05 -0.04 2.39 2.43 3gzuB1 GLN 691 HE21 0.01 -0.02 0.00 -0.04 6.97 6.92 3gzuB1 GLN 691 HE22 0.02 0.01 0.00 -0.04 7.69 7.69 3gzuB1 ILE 692 H 0.11 0.54 -0.21 -0.55 8.25 8.14 3gzuB1 ILE 692 HA -0.01 -0.02 0.38 -0.75 4.18 3.78 3gzuB1 ILE 692 HB 0.21 -0.01 0.18 -0.04 1.89 2.24 3gzuB1 ILE 692 HG12 -0.10 -0.09 -0.04 -0.04 1.49 1.22 3gzuB1 ILE 692 HG13 0.06 0.14 0.05 -0.04 1.21 1.42 3gzuB1 ILE 692 HG23 -0.14 -0.02 -0.12 -0.04 0.93 0.61 3gzuB1 ILE 692 HD13 0.17 -0.03 -0.09 -0.04 0.88 0.89 3gzuB1 GLU 693 H 0.25 0.39 0.05 -0.55 8.60 8.74 3gzuB1 GLU 693 HA 0.11 -0.02 0.35 -0.75 4.29 3.97 3gzuB1 GLU 693 HB2 0.24 -0.04 0.08 -0.04 2.09 2.32 3gzuB1 GLU 693 HB3 0.11 0.21 0.15 -0.04 1.99 2.43 3gzuB1 GLU 693 HG2 0.07 0.04 -0.28 -0.04 2.34 2.12 3gzuB1 GLU 693 HG3 0.09 -0.04 -0.07 -0.04 2.34 2.28 3gzuB1 ARG 694 H 0.05 0.37 -0.24 -0.55 8.46 8.08 3gzuB1 ARG 694 HA -0.01 0.07 0.56 -0.75 4.34 4.22 3gzuB1 ARG 694 HB2 -0.06 -0.01 0.10 -0.04 1.90 1.89 3gzuB1 ARG 694 HB3 -0.01 -0.13 0.07 -0.04 1.80 1.68 3gzuB1 ARG 694 HG2 0.03 0.16 -0.03 -0.04 1.67 1.79 3gzuB1 ARG 694 HG3 0.01 0.10 -0.09 -0.04 1.67 1.64 3gzuB1 ARG 694 HD2 -0.00 -0.05 -0.09 -0.04 3.22 3.04 3gzuB1 ARG 694 HD3 -0.08 -0.03 -0.00 -0.04 3.22 3.07 3gzuB1 ALA 695 H 0.03 0.40 -0.29 -0.55 8.40 8.00 3gzuB1 ALA 695 HA 0.06 -0.02 0.41 -0.75 4.34 4.04 3gzuB1 ALA 695 HB3 0.07 0.00 0.16 -0.04 1.41 1.60 3gzuB1 SER 696 H -0.00 0.29 -0.32 -0.55 8.46 7.88 3gzuB1 SER 696 HA -0.01 -0.12 0.36 -0.75 4.49 3.98 3gzuB1 SER 696 HB2 -0.04 -0.09 0.05 -0.04 3.95 3.82 3gzuB1 SER 696 HB3 -0.05 0.26 0.03 -0.04 3.93 4.13 3gzuB1 ASP 697 H -0.02 -0.01 0.20 -0.55 8.40 8.02 3gzuB1 ASP 697 HA -0.02 0.19 0.57 -0.75 4.63 4.62 3gzuB1 ASP 697 HB2 0.01 -0.06 0.18 -0.04 2.71 2.80 3gzuB1 ASP 697 HB3 0.02 -0.04 -0.05 -0.04 2.70 2.59 3gzuB1 LYS 698 H -0.08 0.07 0.05 -0.55 8.42 7.91 3gzuB1 LYS 698 HA -0.29 0.11 0.90 -0.75 4.32 4.28 3gzuB1 LYS 698 HB2 -0.03 -0.01 0.13 -0.04 1.87 1.92 3gzuB1 LYS 698 HB3 -0.00 0.01 -0.02 -0.04 1.79 1.74 3gzuB1 LYS 698 HG2 0.14 0.01 -0.03 -0.04 1.46 1.54 3gzuB1 LYS 698 HG3 0.03 -0.06 -0.22 -0.04 1.46 1.17 3gzuB1 LYS 698 HD2 0.02 0.02 0.01 -0.04 1.69 1.70 3gzuB1 LYS 698 HD3 0.05 -0.00 -0.01 -0.04 1.68 1.68 3gzuB1 LYS 698 HE2 0.09 -0.01 -0.02 -0.04 2.99 3.01 3gzuB1 LYS 698 HE3 0.06 -0.01 -0.04 -0.04 2.99 2.96 3gzuB1 ILE 699 H -0.47 0.04 0.00 -0.55 8.25 7.27 3gzuB1 ILE 699 HA -0.07 0.47 0.60 -0.75 4.18 4.43 3gzuB1 ILE 699 HB -0.07 0.20 0.50 -0.04 1.89 2.48 3gzuB1 ILE 699 HG12 -0.06 0.09 -0.46 -0.04 1.49 1.02 3gzuB1 ILE 699 HG13 -0.03 0.04 -0.20 -0.04 1.21 0.99 3gzuB1 ILE 699 HG23 -0.01 -0.02 0.02 -0.04 0.93 0.87 3gzuB1 ILE 699 HD13 0.01 -0.01 -0.21 -0.04 0.88 0.64 3gzuB1 ALA 700 H -0.01 0.35 0.35 -0.55 8.40 8.53 3gzuB1 ALA 700 HA -0.03 0.27 0.77 -0.75 4.34 4.59 3gzuB1 ALA 700 HB3 0.01 -0.03 0.02 -0.04 1.41 1.37 3gzuB1 GLN 701 H 0.17 0.15 0.06 -0.55 8.47 8.31 3gzuB1 GLN 701 HA 0.07 0.57 1.17 -0.75 4.36 5.41 3gzuB1 GLN 701 HB2 0.53 0.01 0.19 -0.04 2.15 2.84 3gzuB1 GLN 701 HB3 0.07 -0.18 0.11 -0.04 2.02 1.98 3gzuB1 GLN 701 HG2 0.18 -0.01 -0.05 -0.04 2.40 2.47 3gzuB1 GLN 701 HG3 0.09 -0.02 -0.22 -0.04 2.39 2.20 3gzuB1 GLN 701 HE21 0.01 0.29 -0.14 -0.04 6.97 7.10 3gzuB1 GLN 701 HE22 0.05 -0.01 -0.39 -0.04 7.69 7.29 3gzuB1 GLY 702 H 0.03 0.24 0.09 -0.55 8.43 8.24 3gzuB1 GLY 702 HA2 0.02 -0.07 0.29 -0.51 4.01 3.74 3gzuB1 GLY 702 HA3 -0.03 0.39 0.54 -0.51 4.01 4.40 3gzuB1 VAL 703 H 0.02 0.14 0.31 -0.55 8.24 8.16 3gzuB1 VAL 703 HA 0.04 0.20 1.05 -0.75 4.13 4.66 3gzuB1 VAL 703 HB 0.17 -0.03 -0.08 -0.04 2.12 2.14 3gzuB1 VAL 703 HG13 0.11 0.01 0.08 -0.04 0.97 1.13 3gzuB1 VAL 703 HG23 0.09 -0.01 -0.26 -0.04 0.95 0.72 3gzuB1 ILE 704 H -0.02 0.49 0.34 -0.55 8.25 8.51 3gzuB1 ILE 704 HA -0.10 0.29 1.23 -0.75 4.18 4.84 3gzuB1 ILE 704 HB -0.19 -0.06 0.01 -0.04 1.89 1.62 3gzuB1 ILE 704 HG12 -0.30 0.02 -0.23 -0.04 1.49 0.94 3gzuB1 ILE 704 HG13 -0.14 -0.05 -0.25 -0.04 1.21 0.72 3gzuB1 ILE 704 HG23 -0.49 0.02 -0.18 -0.04 0.93 0.24 3gzuB1 ILE 704 HD13 -0.48 -0.00 -0.18 -0.04 0.88 0.18 3gzuB1 ILE 705 H -0.08 0.55 0.34 -0.55 8.25 8.51 3gzuB1 ILE 705 HA -0.27 0.17 0.97 -0.75 4.18 4.30 3gzuB1 ILE 705 HB -0.07 0.02 0.14 -0.04 1.89 1.93 3gzuB1 ILE 705 HG12 -0.46 0.05 -0.24 -0.04 1.49 0.80 3gzuB1 ILE 705 HG13 -0.06 -0.02 -0.20 -0.04 1.21 0.88 3gzuB1 ILE 705 HG23 -0.90 -0.00 -0.04 -0.04 0.93 -0.05 3gzuB1 ILE 705 HD13 -0.08 -0.00 -0.10 -0.04 0.88 0.66 3gzuB1 ALA 706 H -0.16 0.24 0.24 -0.55 8.40 8.17 3gzuB1 ALA 706 HA 0.23 0.21 0.94 -0.75 4.34 4.97 3gzuB1 ALA 706 HB3 0.09 0.03 -0.03 -0.04 1.41 1.46 3gzuB1 TYR 707 H -0.29 0.03 0.12 -0.55 8.29 7.61 3gzuB1 TYR 707 HA -0.03 -0.02 0.30 -0.75 4.56 4.06 3gzuB1 TYR 707 HB2 -0.01 0.15 0.06 -0.04 3.06 3.22 3gzuB1 TYR 707 HB3 -0.02 -0.02 0.14 -0.04 2.98 3.05 3gzuB1 TYR 707 HD2 -0.02 -0.07 -0.47 -0.04 7.15 6.54 3gzuB1 TYR 707 HE2 -0.03 0.13 -0.24 -0.04 6.85 6.67 3gzuB1 ARG 708 H 0.04 0.07 -0.58 -0.55 8.46 7.43 3gzuB1 ARG 708 HA 0.06 0.11 0.78 -0.75 4.34 4.54 3gzuB1 ARG 708 HB2 0.07 -0.09 -0.04 -0.04 1.90 1.79 3gzuB1 ARG 708 HB3 0.04 0.04 -0.09 -0.04 1.80 1.75 3gzuB1 ARG 708 HG2 0.05 -0.02 0.05 -0.04 1.67 1.71 3gzuB1 ARG 708 HG3 0.09 0.33 -0.13 -0.04 1.67 1.92 3gzuB1 ARG 708 HD2 0.07 -0.04 -0.00 -0.04 3.22 3.21 3gzuB1 ARG 708 HD3 0.04 -0.04 -0.01 -0.04 3.22 3.17 3gzuB1 ASP 709 H 0.03 0.13 0.01 -0.55 8.40 8.01 3gzuB1 ASP 709 HA 0.01 -0.01 0.21 -0.75 4.63 4.08 3gzuB1 ASP 709 HB2 0.02 -0.02 0.08 -0.04 2.71 2.75 3gzuB1 ASP 709 HB3 0.03 0.03 -0.04 -0.04 2.70 2.68 3gzuB1 MET 710 H -0.02 0.21 0.00 -0.55 8.47 8.11 3gzuB1 MET 710 HA -0.00 0.16 1.00 -0.75 4.52 4.93 3gzuB1 MET 710 HB2 -0.01 0.12 -0.03 -0.04 2.15 2.20 3gzuB1 MET 710 HB3 -0.03 0.08 -0.02 -0.04 2.03 2.01 3gzuB1 MET 710 HG2 -0.01 -0.15 0.06 -0.04 2.63 2.49 3gzuB1 MET 710 HG3 0.02 0.01 -0.01 -0.04 2.56 2.54 3gzuB1 MET 710 HE3 -0.02 0.03 -0.12 -0.04 2.10 1.95 3gzuB1 GLN 711 H -0.02 0.13 0.10 -0.55 8.47 8.13 3gzuB1 GLN 711 HA -0.07 0.26 0.69 -0.75 4.36 4.49 3gzuB1 GLN 711 HB2 -0.03 -0.02 0.07 -0.04 2.15 2.12 3gzuB1 GLN 711 HB3 -0.04 -0.04 0.15 -0.04 2.02 2.04 3gzuB1 GLN 711 HG2 -0.08 0.05 -0.13 -0.04 2.40 2.20 3gzuB1 GLN 711 HG3 -0.09 0.05 0.01 -0.04 2.39 2.32 3gzuB1 GLN 711 HE21 -0.02 -0.03 -0.01 -0.04 6.97 6.87 3gzuB1 GLN 711 HE22 -0.03 -0.01 0.01 -0.04 7.69 7.62 3gzuB1 LEU 712 H -0.11 0.38 0.26 -0.55 8.37 8.35 3gzuB1 LEU 712 HA -0.10 -0.03 0.39 -0.75 4.35 3.86 3gzuB1 LEU 712 HB2 -0.13 -0.12 0.06 -0.04 1.64 1.41 3gzuB1 LEU 712 HB3 -0.15 -0.02 0.09 -0.04 1.64 1.53 3gzuB1 LEU 712 HG -0.11 0.46 -0.18 -0.04 1.64 1.78 3gzuB1 LEU 712 HD13 -0.11 -0.08 -0.15 -0.04 0.93 0.55 3gzuB1 LEU 712 HD23 0.01 -0.01 -0.26 -0.04 0.89 0.59 3gzuB1 GLU 713 H -0.09 0.08 0.35 -0.55 8.60 8.39 3gzuB1 GLU 713 HA -0.15 0.14 0.75 -0.75 4.29 4.28 3gzuB1 GLU 713 HB2 -0.06 0.00 0.24 -0.04 2.09 2.23 3gzuB1 GLU 713 HB3 -0.07 -0.06 0.09 -0.04 1.99 1.91 3gzuB1 GLU 713 HG2 -0.06 -0.00 0.11 -0.04 2.34 2.34 3gzuB1 GLU 713 HG3 -0.05 0.07 0.08 -0.04 2.34 2.40 3gzuB1 ARG 714 H -0.13 0.19 0.24 -0.55 8.46 8.20 3gzuB1 ARG 714 HA -0.17 0.20 1.16 -0.75 4.34 4.77 3gzuB1 ARG 714 HB2 -0.17 -0.00 0.04 -0.04 1.90 1.73 3gzuB1 ARG 714 HB3 -0.61 0.06 -0.08 -0.04 1.80 1.13 3gzuB1 ARG 714 HG2 -0.13 -0.01 0.19 -0.04 1.67 1.67 3gzuB1 ARG 714 HG3 -0.06 -0.05 -0.01 -0.04 1.67 1.51 3gzuB1 ARG 714 HD2 -0.04 -0.01 0.03 -0.04 3.22 3.16 3gzuB1 ARG 714 HD3 -0.04 -0.10 0.01 -0.04 3.22 3.05 3gzuB1 ASP 715 H 0.04 0.70 0.27 -0.55 8.40 8.87 3gzuB1 ASP 715 HA 0.05 0.13 0.95 -0.75 4.63 5.00 3gzuB1 ASP 715 HB2 0.03 0.11 -0.09 -0.04 2.71 2.72 3gzuB1 ASP 715 HB3 0.08 -0.02 0.05 -0.04 2.70 2.77 3gzuB1 GLU 716 H 0.09 0.18 0.13 -0.55 8.60 8.46 3gzuB1 GLU 716 HA 0.13 0.18 0.27 -0.75 4.29 4.11 3gzuB1 GLU 716 HB2 0.10 0.02 -0.07 -0.04 2.09 2.10 3gzuB1 GLU 716 HB3 0.09 -0.01 0.10 -0.04 1.99 2.13 3gzuB1 GLU 716 HG2 0.11 -0.02 0.10 -0.04 2.34 2.50 3gzuB1 GLU 716 HG3 0.16 -0.03 -0.01 -0.04 2.34 2.42 3gzuB1 MET 717 H 0.15 0.01 -0.34 -0.55 8.47 7.74 3gzuB1 MET 717 HA -0.04 0.15 0.64 -0.75 4.52 4.52 3gzuB1 MET 717 HB2 -0.02 -0.04 -0.01 -0.04 2.15 2.05 3gzuB1 MET 717 HB3 0.20 -0.04 0.02 -0.04 2.03 2.17 3gzuB1 MET 717 HG2 -0.05 0.01 -0.24 -0.04 2.63 2.32 3gzuB1 MET 717 HG3 -0.36 0.08 -0.03 -0.04 2.56 2.21 3gzuB1 MET 717 HE3 0.35 0.01 -0.06 -0.04 2.10 2.36 3gzuB1 TYR 718 H 0.34 0.07 -0.01 -0.55 8.29 8.15 3gzuB1 TYR 718 HA 0.18 0.19 0.71 -0.75 4.56 4.88 3gzuB1 TYR 718 HB2 0.07 -0.03 -0.01 -0.04 3.06 3.05 3gzuB1 TYR 718 HB3 0.09 -0.06 -0.10 -0.04 2.98 2.86 3gzuB1 TYR 718 HD2 0.07 -0.12 -0.14 -0.04 7.15 6.91 3gzuB1 TYR 718 HE2 0.10 0.01 -0.06 -0.04 6.85 6.86 3gzuB1 GLY 719 H 0.27 0.48 -0.22 -0.55 8.43 8.41 3gzuB1 GLY 719 HA2 0.19 0.16 0.23 -0.51 4.01 4.08 3gzuB1 GLY 719 HA3 -0.11 0.02 0.53 -0.51 4.01 3.95 3gzuB1 TYR 720 H 0.13 0.45 0.13 -0.55 8.29 8.45 3gzuB1 TYR 720 HA 0.00 0.11 0.93 -0.75 4.56 4.84 3gzuB1 TYR 720 HB2 -0.01 0.35 0.36 -0.04 3.06 3.71 3gzuB1 TYR 720 HB3 -0.03 -0.06 0.20 -0.04 2.98 3.05 3gzuB1 TYR 720 HD2 -0.07 -0.07 -0.04 -0.04 7.15 6.92 3gzuB1 TYR 720 HE2 -0.11 -0.07 0.04 -0.04 6.85 6.68 3gzuB1 VAL 721 H 0.00 0.32 0.19 -0.55 8.24 8.21 3gzuB1 VAL 721 HA 0.10 0.29 1.00 -0.75 4.13 4.77 3gzuB1 VAL 721 HB 0.08 -0.03 -0.17 -0.04 2.12 1.96 3gzuB1 VAL 721 HG13 0.14 -0.04 -0.08 -0.04 0.97 0.95 3gzuB1 VAL 721 HG23 0.28 0.01 -0.48 -0.04 0.95 0.72 3gzuB1 ASN 722 H 0.08 0.08 0.12 -0.55 8.53 8.26 3gzuB1 ASN 722 HA -0.03 0.13 0.93 -0.75 4.76 5.04 3gzuB1 ASN 722 HB2 -0.02 0.10 0.15 -0.04 2.88 3.07 3gzuB1 ASN 722 HB3 -0.07 -0.03 0.11 -0.04 2.79 2.76 3gzuB1 ASN 722 HD21 0.17 0.15 0.25 -0.04 7.03 7.55 3gzuB1 ASN 722 HD22 0.05 0.21 0.84 -0.04 7.74 8.81 3gzuB1 ILE 723 H -0.02 0.23 -0.06 -0.55 8.25 7.86 3gzuB1 ILE 723 HA 0.01 0.16 1.01 -0.75 4.18 4.61 3gzuB1 ILE 723 HB -0.04 -0.07 -0.11 -0.04 1.89 1.63 3gzuB1 ILE 723 HG12 -0.06 0.04 -0.19 -0.04 1.49 1.23 3gzuB1 ILE 723 HG13 -0.03 -0.18 -0.30 -0.04 1.21 0.66 3gzuB1 ILE 723 HG23 -0.07 0.03 -0.17 -0.04 0.93 0.69 3gzuB1 ILE 723 HD13 -0.23 0.03 -0.12 -0.04 0.88 0.52 3gzuB1 ALA 724 H 0.01 0.91 0.15 -0.55 8.40 8.93 3gzuB1 ALA 724 HA 0.01 0.10 0.76 -0.75 4.34 4.46 3gzuB1 ALA 724 HB3 0.03 0.01 -0.18 -0.04 1.41 1.23 3gzuB1 ARG 725 H 0.01 0.15 0.06 -0.55 8.46 8.13 3gzuB1 ARG 725 HA -0.15 0.27 0.68 -0.75 4.34 4.38 3gzuB1 ARG 725 HB2 -0.01 -0.01 0.07 -0.04 1.90 1.91 3gzuB1 ARG 725 HB3 -0.06 0.02 0.16 -0.04 1.80 1.88 3gzuB1 ARG 725 HG2 -0.06 -0.03 0.05 -0.04 1.67 1.59 3gzuB1 ARG 725 HG3 -0.06 0.02 -0.17 -0.04 1.67 1.41 3gzuB1 ARG 725 HD2 -0.01 -0.00 -0.01 -0.04 3.22 3.16 3gzuB1 ARG 725 HD3 -0.01 0.01 0.01 -0.04 3.22 3.19 3gzuB1 ASN 726 H 0.11 0.04 -0.33 -0.55 8.53 7.81 3gzuB1 ASN 726 HA 0.33 0.09 0.67 -0.75 4.76 5.10 3gzuB1 ASN 726 HB2 0.09 -0.10 -0.09 -0.04 2.88 2.74 3gzuB1 ASN 726 HB3 0.12 0.18 -0.11 -0.04 2.79 2.94 3gzuB1 ASN 726 HD21 0.03 -0.00 -0.08 -0.04 7.03 6.94 3gzuB1 ASN 726 HD22 0.04 -0.09 -0.18 -0.04 7.74 7.47 3gzuB1 LEU 727 H 0.16 0.12 0.10 -0.55 8.37 8.21 3gzuB1 LEU 727 HA 0.06 0.12 0.48 -0.75 4.35 4.26 3gzuB1 LEU 727 HB2 0.02 -0.00 -0.14 -0.04 1.64 1.48 3gzuB1 LEU 727 HB3 0.01 0.01 0.01 -0.04 1.64 1.62 3gzuB1 LEU 727 HG -0.29 0.01 0.01 -0.04 1.64 1.33 3gzuB1 LEU 727 HD13 -0.24 -0.01 -0.08 -0.04 0.93 0.56 3gzuB1 LEU 727 HD23 -0.32 0.01 -0.18 -0.04 0.89 0.36 3gzuB1 ASP 728 H 0.46 0.07 -0.09 -0.55 8.40 8.30 3gzuB1 ASP 728 HA 0.09 -0.05 0.33 -0.75 4.63 4.24 3gzuB1 ASP 728 HB2 0.04 -0.04 0.04 -0.04 2.71 2.70 3gzuB1 ASP 728 HB3 0.08 0.13 0.42 -0.04 2.70 3.29 3gzuB1 GLY 729 H -0.03 0.10 0.11 -0.55 8.43 8.06 3gzuB1 GLY 729 HA2 -0.29 0.02 0.27 -0.51 4.01 3.50 3gzuB1 GLY 729 HA3 -0.74 0.27 0.87 -0.51 4.01 3.90 3gzuB1 PHE 730 H 0.17 0.05 0.05 -0.55 8.34 8.05 3gzuB1 PHE 730 HA 0.01 0.18 0.70 -0.75 4.62 4.75 3gzuB1 PHE 730 HB2 0.01 0.03 -0.16 -0.04 3.15 2.98 3gzuB1 PHE 730 HB3 0.02 0.08 -0.14 -0.04 3.06 2.98 3gzuB1 PHE 730 HD2 0.01 -0.12 -0.19 -0.04 7.28 6.95 3gzuB1 PHE 730 HE2 0.02 0.08 -0.17 -0.04 7.38 7.26 3gzuB1 PHE 730 HZ 0.01 0.03 -0.10 -0.04 7.32 7.23 3gzuB1 GLN 731 H 0.10 0.21 0.11 -0.55 8.47 8.34 3gzuB1 GLN 731 HA 0.05 0.02 0.36 -0.75 4.36 4.02 3gzuB1 GLN 731 HB2 0.05 0.00 0.05 -0.04 2.15 2.21 3gzuB1 GLN 731 HB3 0.03 0.03 0.07 -0.04 2.02 2.10 3gzuB1 GLN 731 HG2 0.02 -0.01 0.06 -0.04 2.40 2.43 3gzuB1 GLN 731 HG3 0.04 0.05 0.11 -0.04 2.39 2.54 3gzuB1 GLN 731 HE21 0.01 -0.01 -0.00 -0.04 6.97 6.92 3gzuB1 GLN 731 HE22 0.01 -0.01 0.02 -0.04 7.69 7.67 3gzuB1 GLN 732 H 0.02 0.19 0.20 -0.55 8.47 8.34 3gzuB1 GLN 732 HA 0.01 0.18 0.79 -0.75 4.36 4.59 3gzuB1 GLN 732 HB2 0.00 -0.01 0.10 -0.04 2.15 2.20 3gzuB1 GLN 732 HB3 -0.01 -0.05 -0.05 -0.04 2.02 1.86 3gzuB1 GLN 732 HG2 -0.02 0.02 -0.11 -0.04 2.40 2.25 3gzuB1 GLN 732 HG3 0.03 0.11 -0.26 -0.04 2.39 2.23 3gzuB1 GLN 732 HE21 0.01 0.03 -0.07 -0.04 6.97 6.89 3gzuB1 GLN 732 HE22 0.04 0.00 -0.09 -0.04 7.69 7.60 3gzuB1 ILE 733 H -0.01 0.28 0.07 -0.55 8.25 8.05 3gzuB1 ILE 733 HA -0.01 0.18 0.97 -0.75 4.18 4.57 3gzuB1 ILE 733 HB -0.00 0.03 0.24 -0.04 1.89 2.11 3gzuB1 ILE 733 HG12 -0.01 0.05 -0.20 -0.04 1.49 1.29 3gzuB1 ILE 733 HG13 0.01 0.06 -0.29 -0.04 1.21 0.95 3gzuB1 ILE 733 HG23 -0.03 -0.01 -0.13 -0.04 0.93 0.72 3gzuB1 ILE 733 HD13 0.01 -0.01 -0.07 -0.04 0.88 0.77 3gzuB1 ASN 734 H -0.01 0.24 0.05 -0.55 8.53 8.26 3gzuB1 ASN 734 HA -0.00 0.08 0.46 -0.75 4.76 4.54 3gzuB1 ASN 734 HB2 -0.00 0.10 0.18 -0.04 2.88 3.13 3gzuB1 ASN 734 HB3 0.01 -0.19 0.19 -0.04 2.79 2.76 3gzuB1 ASN 734 HD21 0.01 0.07 0.01 -0.04 7.03 7.07 3gzuB1 ASN 734 HD22 0.01 0.04 0.03 -0.04 7.74 7.77 3gzuB1 LEU 735 H 0.00 0.40 0.51 -0.55 8.37 8.73 3gzuB1 LEU 735 HA -0.00 0.05 0.40 -0.75 4.35 4.05 3gzuB1 LEU 735 HB2 0.02 -0.14 0.20 -0.04 1.64 1.68 3gzuB1 LEU 735 HB3 0.01 0.07 0.12 -0.04 1.64 1.79 3gzuB1 LEU 735 HG 0.00 0.46 0.42 -0.04 1.64 2.48 3gzuB1 LEU 735 HD13 0.01 -0.07 -0.15 -0.04 0.93 0.68 3gzuB1 LEU 735 HD23 0.00 -0.01 0.09 -0.04 0.89 0.93 3gzuB1 GLU 736 H 0.03 0.09 -0.02 -0.55 8.60 8.16 3gzuB1 GLU 736 HA 0.05 0.04 0.34 -0.75 4.29 3.96 3gzuB1 GLU 736 HB2 0.07 -0.12 0.17 -0.04 2.09 2.17 3gzuB1 GLU 736 HB3 0.07 0.03 0.05 -0.04 1.99 2.09 3gzuB1 GLU 736 HG2 0.11 0.12 -0.06 -0.04 2.34 2.47 3gzuB1 GLU 736 HG3 0.12 -0.11 0.07 -0.04 2.34 2.39 3gzuB1 GLU 737 H 0.02 -0.03 -0.35 -0.55 8.60 7.69 3gzuB1 GLU 737 HA 0.01 0.04 0.34 -0.75 4.29 3.92 3gzuB1 GLU 737 HB2 -0.00 -0.04 0.20 -0.04 2.09 2.21 3gzuB1 GLU 737 HB3 -0.03 0.02 -0.01 -0.04 1.99 1.93 3gzuB1 GLU 737 HG2 0.01 0.03 0.05 -0.04 2.34 2.39 3gzuB1 GLU 737 HG3 0.01 -0.06 0.06 -0.04 2.34 2.32 3gzuB1 LEU 738 H -0.02 0.45 -0.01 -0.55 8.37 8.24 3gzuB1 LEU 738 HA -0.06 0.05 0.32 -0.75 4.35 3.91 3gzuB1 LEU 738 HB2 -0.04 -0.03 0.05 -0.04 1.64 1.58 3gzuB1 LEU 738 HB3 -0.01 -0.06 0.17 -0.04 1.64 1.70 3gzuB1 LEU 738 HG -0.02 0.02 -0.22 -0.04 1.64 1.38 3gzuB1 LEU 738 HD13 -0.17 -0.03 0.03 -0.04 0.93 0.71 3gzuB1 LEU 738 HD23 -0.02 -0.03 -0.06 -0.04 0.89 0.74 3gzuB1 MET 739 H 0.00 0.31 0.03 -0.55 8.47 8.27 3gzuB1 MET 739 HA 0.02 -0.07 0.29 -0.75 4.52 3.99 3gzuB1 MET 739 HB2 0.02 0.11 0.09 -0.04 2.15 2.32 3gzuB1 MET 739 HB3 0.02 0.03 0.04 -0.04 2.03 2.07 3gzuB1 MET 739 HG2 0.02 0.02 -0.08 -0.04 2.63 2.55 3gzuB1 MET 739 HG3 0.01 -0.02 -0.46 -0.04 2.56 2.06 3gzuB1 MET 739 HE3 0.02 0.03 -0.03 -0.04 2.10 2.08 3gzuB1 ARG 740 H 0.01 0.54 -0.15 -0.55 8.46 8.31 3gzuB1 ARG 740 HA -0.01 -0.04 0.49 -0.75 4.34 4.03 3gzuB1 ARG 740 HB2 -0.01 0.20 0.18 -0.04 1.90 2.22 3gzuB1 ARG 740 HB3 -0.07 -0.04 0.02 -0.04 1.80 1.67 3gzuB1 ARG 740 HG2 -0.01 -0.07 0.09 -0.04 1.67 1.64 3gzuB1 ARG 740 HG3 0.01 -0.06 0.03 -0.04 1.67 1.62 3gzuB1 ARG 740 HD2 -0.07 0.03 0.08 -0.04 3.22 3.21 3gzuB1 ARG 740 HD3 -0.03 -0.01 0.08 -0.04 3.22 3.22 3gzuB1 THR 741 H 0.02 0.68 -0.02 -0.55 8.28 8.41 3gzuB1 THR 741 HA 0.02 0.12 1.00 -0.75 4.39 4.78 3gzuB1 THR 741 HB 0.12 -0.12 0.21 -0.04 4.32 4.50 3gzuB1 THR 741 HG23 -0.02 -0.05 -0.02 -0.04 1.22 1.09 3gzuB1 GLY 742 H 0.05 0.28 -0.13 -0.55 8.43 8.08 3gzuB1 GLY 742 HA2 0.07 -0.08 0.37 -0.51 4.01 3.87 3gzuB1 GLY 742 HA3 0.10 0.10 0.54 -0.51 4.01 4.23 3gzuB1 ASP 743 H 0.13 0.12 0.17 -0.55 8.40 8.27 3gzuB1 ASP 743 HA 0.12 0.24 1.02 -0.75 4.63 5.26 3gzuB1 ASP 743 HB2 0.04 0.07 -0.05 -0.04 2.71 2.73 3gzuB1 ASP 743 HB3 0.08 0.10 0.07 -0.04 2.70 2.90 3gzuB1 TYR 744 H 0.07 0.04 0.20 -0.55 8.29 8.04 3gzuB1 TYR 744 HA 0.00 0.29 0.79 -0.75 4.56 4.89 3gzuB1 TYR 744 HB2 0.01 -0.14 0.06 -0.04 3.06 2.95 3gzuB1 TYR 744 HB3 0.00 0.08 0.14 -0.04 2.98 3.17 3gzuB1 TYR 744 HD2 0.00 -0.47 -1.03 -0.04 7.15 5.61 3gzuB1 TYR 744 HE2 -0.01 0.25 -0.32 -0.04 6.85 6.73 3gzuB1 ALA 745 H 0.09 0.04 0.00 -0.55 8.40 7.98 3gzuB1 ALA 745 HA 0.04 -0.02 0.31 -0.75 4.34 3.92 3gzuB1 ALA 745 HB3 0.05 0.15 -0.07 -0.04 1.41 1.50 3gzuB1 GLN 746 H 0.02 0.07 -0.57 -0.55 8.47 7.44 3gzuB1 GLN 746 HA 0.02 0.15 0.37 -0.75 4.36 4.14 3gzuB1 GLN 746 HB2 -0.03 0.09 0.08 -0.04 2.15 2.25 3gzuB1 GLN 746 HB3 -0.08 -0.13 0.09 -0.04 2.02 1.86 3gzuB1 GLN 746 HG2 -0.01 0.01 -0.26 -0.04 2.40 2.09 3gzuB1 GLN 746 HG3 -0.01 0.05 0.01 -0.04 2.39 2.40 3gzuB1 GLN 746 HE21 -0.02 0.02 -0.00 -0.04 6.97 6.93 3gzuB1 GLN 746 HE22 -0.01 0.02 -0.01 -0.04 7.69 7.65 3gzuB1 ILE 747 H -0.02 0.01 -0.32 -0.55 8.25 7.37 3gzuB1 ILE 747 HA 0.02 0.11 0.27 -0.75 4.18 3.83 3gzuB1 ILE 747 HB 0.01 0.04 0.00 -0.04 1.89 1.90 3gzuB1 ILE 747 HG12 0.05 0.05 -0.59 -0.04 1.49 0.96 3gzuB1 ILE 747 HG13 0.06 0.03 -0.09 -0.04 1.21 1.17 3gzuB1 ILE 747 HG23 0.00 -0.04 -0.03 -0.04 0.93 0.83 3gzuB1 ILE 747 HD13 0.04 0.02 -0.11 -0.04 0.88 0.78 3gzuB1 THR 748 H 0.03 -0.23 -0.27 -0.55 8.28 7.26 3gzuB1 THR 748 HA 0.05 0.06 0.39 -0.75 4.39 4.13 3gzuB1 THR 748 HB 0.04 0.11 0.11 -0.04 4.32 4.54 3gzuB1 THR 748 HG23 0.03 0.02 -0.05 -0.04 1.22 1.18 3gzuB1 ASN 749 H 0.03 0.70 -0.18 -0.55 8.53 8.53 3gzuB1 ASN 749 HA 0.02 0.05 0.56 -0.75 4.76 4.64 3gzuB1 ASN 749 HB2 0.02 -0.01 0.06 -0.04 2.88 2.92 3gzuB1 ASN 749 HB3 0.02 0.09 0.16 -0.04 2.79 3.01 3gzuB1 ASN 749 HD21 0.01 -0.00 -0.01 -0.04 7.03 6.98 3gzuB1 ASN 749 HD22 0.01 -0.00 -0.01 -0.04 7.74 7.70 3gzuB1 MET 750 H 0.02 0.49 0.04 -0.55 8.47 8.47 3gzuB1 MET 750 HA -0.00 0.04 0.26 -0.75 4.52 4.06 3gzuB1 MET 750 HB2 0.04 0.03 0.08 -0.04 2.15 2.25 3gzuB1 MET 750 HB3 0.03 0.05 -0.04 -0.04 2.03 2.02 3gzuB1 MET 750 HG2 0.01 -0.02 -0.00 -0.04 2.63 2.57 3gzuB1 MET 750 HG3 0.01 0.29 0.08 -0.04 2.56 2.90 3gzuB1 MET 750 HE3 0.02 0.01 -0.04 -0.04 2.10 2.05 3gzuB1 LEU 751 H 0.05 0.53 -0.29 -0.55 8.37 8.11 3gzuB1 LEU 751 HA 0.15 0.06 0.42 -0.75 4.35 4.23 3gzuB1 LEU 751 HB2 0.11 -0.00 0.04 -0.04 1.64 1.74 3gzuB1 LEU 751 HB3 0.08 0.05 0.06 -0.04 1.64 1.79 3gzuB1 LEU 751 HG 0.12 0.03 -0.18 -0.04 1.64 1.57 3gzuB1 LEU 751 HD13 0.20 -0.01 0.03 -0.04 0.93 1.12 3gzuB1 LEU 751 HD23 0.14 -0.03 -0.14 -0.04 0.89 0.83 3gzuB1 LEU 752 H 0.03 0.30 -0.29 -0.55 8.37 7.87 3gzuB1 LEU 752 HA 0.03 0.03 0.45 -0.75 4.35 4.11 3gzuB1 LEU 752 HB2 0.03 0.21 0.25 -0.04 1.64 2.09 3gzuB1 LEU 752 HB3 0.01 0.02 0.22 -0.04 1.64 1.85 3gzuB1 LEU 752 HG 0.01 -0.01 -0.15 -0.04 1.64 1.45 3gzuB1 LEU 752 HD13 0.02 -0.01 0.07 -0.04 0.93 0.97 3gzuB1 LEU 752 HD23 0.02 -0.02 -0.00 -0.04 0.89 0.84 3gzuB1 ASN 753 H -0.02 0.65 -0.04 -0.55 8.53 8.57 3gzuB1 ASN 753 HA -0.04 0.08 0.67 -0.75 4.76 4.71 3gzuB1 ASN 753 HB2 -0.04 0.04 0.01 -0.04 2.88 2.85 3gzuB1 ASN 753 HB3 -0.05 -0.01 0.11 -0.04 2.79 2.79 3gzuB1 ASN 753 HD21 -0.01 -0.06 -0.02 -0.04 7.03 6.91 3gzuB1 ASN 753 HD22 -0.01 0.02 -0.03 -0.04 7.74 7.68 3gzuB1 ASN 754 H -0.07 0.03 -1.30 -0.55 8.53 6.64 3gzuB1 ASN 754 HA -0.35 0.11 0.35 -0.75 4.76 4.11 3gzuB1 ASN 754 HB2 -0.28 0.03 -0.10 -0.04 2.88 2.49 3gzuB1 ASN 754 HB3 -1.01 -0.09 0.06 -0.04 2.79 1.72 3gzuB1 ASN 754 HD21 0.04 -0.07 0.02 -0.04 7.03 6.97 3gzuB1 ASN 754 HD22 -0.04 -0.04 -0.09 -0.04 7.74 7.53 3gzuB1 GLN 755 H -0.17 0.58 0.13 -0.55 8.47 8.46 3gzuB1 GLN 755 HA -0.21 0.25 0.95 -0.75 4.36 4.60 3gzuB1 GLN 755 HB2 -0.02 -0.13 -0.04 -0.04 2.15 1.92 3gzuB1 GLN 755 HB3 -0.03 -0.00 0.02 -0.04 2.02 1.97 3gzuB1 GLN 755 HG2 -0.09 0.12 -0.25 -0.04 2.40 2.15 3gzuB1 GLN 755 HG3 -0.08 0.04 -0.31 -0.04 2.39 2.00 3gzuB1 GLN 755 HE21 -0.02 -0.08 -0.05 -0.04 6.97 6.79 3gzuB1 GLN 755 HE22 -0.04 0.07 -0.06 -0.04 7.69 7.62 3gzuB1 PRO 756 HA 0.25 0.26 0.54 -0.51 4.44 4.99 3gzuB1 PRO 756 HB2 0.14 -0.07 0.18 -0.04 2.28 2.49 3gzuB1 PRO 756 HB3 0.26 0.03 0.15 -0.04 2.02 2.42 3gzuB1 PRO 756 HG2 0.05 -0.00 0.13 -0.04 2.03 2.17 3gzuB1 PRO 756 HG3 0.11 0.13 0.11 -0.04 2.03 2.34 3gzuB1 PRO 756 HD2 0.01 0.02 0.21 -0.04 3.68 3.89 3gzuB1 PRO 756 HD3 -0.05 0.23 0.26 -0.04 3.65 4.05 3gzuB1 VAL 757 H 0.15 0.43 0.40 -0.55 8.24 8.67 3gzuB1 VAL 757 HA 0.13 0.03 0.66 -0.75 4.13 4.20 3gzuB1 VAL 757 HB 0.09 -0.03 -0.08 -0.04 2.12 2.06 3gzuB1 VAL 757 HG13 0.06 -0.01 -0.00 -0.04 0.97 0.97 3gzuB1 VAL 757 HG23 0.09 0.17 -0.44 -0.04 0.95 0.74 3gzuB1 ALA 758 H 0.06 0.25 0.13 -0.55 8.40 8.29 3gzuB1 ALA 758 HA -0.03 0.33 1.13 -0.75 4.34 5.01 3gzuB1 ALA 758 HB3 -0.06 0.08 -0.01 -0.04 1.41 1.39 3gzuB1 LEU 759 H -0.02 0.52 0.34 -0.55 8.37 8.66 3gzuB1 LEU 759 HA 0.00 0.13 1.00 -0.75 4.35 4.73 3gzuB1 LEU 759 HB2 0.02 -0.14 0.15 -0.04 1.64 1.63 3gzuB1 LEU 759 HB3 0.01 0.02 0.09 -0.04 1.64 1.73 3gzuB1 LEU 759 HG 0.06 0.09 -0.12 -0.04 1.64 1.63 3gzuB1 LEU 759 HD13 0.12 0.00 -0.08 -0.04 0.93 0.93 3gzuB1 LEU 759 HD23 0.05 0.08 -0.28 -0.04 0.89 0.70 3gzuB1 VAL 760 H -0.02 0.31 0.22 -0.55 8.24 8.21 3gzuB1 VAL 760 HA -0.06 0.33 1.15 -0.75 4.13 4.79 3gzuB1 VAL 760 HB -0.03 -0.10 -0.05 -0.04 2.12 1.89 3gzuB1 VAL 760 HG13 -0.09 0.03 -0.07 -0.04 0.97 0.80 3gzuB1 VAL 760 HG23 -0.08 0.01 -0.24 -0.04 0.95 0.60 3gzuB1 GLY 761 H -0.02 0.31 0.19 -0.55 8.43 8.36 3gzuB1 GLY 761 HA2 0.01 0.05 0.38 -0.51 4.01 3.94 3gzuB1 GLY 761 HA3 0.02 0.05 0.96 -0.51 4.01 4.53 3gzuB1 ALA 762 H 0.03 -0.15 0.23 -0.55 8.40 7.97 3gzuB1 ALA 762 HA 0.03 0.32 0.66 -0.75 4.34 4.59 3gzuB1 ALA 762 HB3 0.03 -0.05 -0.01 -0.04 1.41 1.34 3gzuB1 LEU 763 H 0.02 0.39 0.35 -0.55 8.37 8.59 3gzuB1 LEU 763 HA 0.02 0.05 0.68 -0.75 4.35 4.35 3gzuB1 LEU 763 HB2 0.05 0.01 -0.05 -0.04 1.64 1.61 3gzuB1 LEU 763 HB3 0.04 0.10 -0.03 -0.04 1.64 1.70 3gzuB1 LEU 763 HG 0.02 -0.11 -0.55 -0.04 1.64 0.97 3gzuB1 LEU 763 HD13 0.00 -0.01 -0.09 -0.04 0.93 0.80 3gzuB1 LEU 763 HD23 0.01 0.00 0.18 -0.04 0.89 1.04 3gzuB1 PRO 764 HA 0.07 0.07 0.34 -0.51 4.44 4.41 3gzuB1 PRO 764 HB2 0.03 0.02 0.02 -0.04 2.28 2.30 3gzuB1 PRO 764 HB3 0.03 0.01 0.17 -0.04 2.02 2.19 3gzuB1 PRO 764 HG2 0.00 0.13 0.02 -0.04 2.03 2.14 3gzuB1 PRO 764 HG3 0.02 0.01 0.08 -0.04 2.03 2.09 3gzuB1 PRO 764 HD2 0.01 0.22 0.11 -0.04 3.68 3.98 3gzuB1 PRO 764 HD3 0.02 0.06 0.19 -0.04 3.65 3.87 3gzuB1 PHE 765 H 0.10 0.18 0.18 -0.55 8.34 8.24 3gzuB1 PHE 765 HA -0.00 0.07 0.52 -0.75 4.62 4.46 3gzuB1 PHE 765 HB2 0.01 0.36 -0.37 -0.04 3.15 3.11 3gzuB1 PHE 765 HB3 0.00 -0.06 -0.15 -0.04 3.06 2.82 3gzuB1 PHE 765 HD2 0.02 0.01 -0.01 -0.04 7.28 7.25 3gzuB1 PHE 765 HE2 0.05 -0.02 -0.06 -0.04 7.38 7.31 3gzuB1 PHE 765 HZ 0.12 -0.02 -0.07 -0.04 7.32 7.31 3gzuB1 VAL 766 H -0.77 0.22 0.15 -0.55 8.24 7.30 3gzuB1 VAL 766 HA -0.31 0.10 0.78 -0.75 4.13 3.93 3gzuB1 VAL 766 HB -0.20 0.26 0.06 -0.04 2.12 2.20 3gzuB1 VAL 766 HG13 -0.19 -0.04 -0.20 -0.04 0.97 0.50 3gzuB1 VAL 766 HG23 -0.10 -0.03 -0.16 -0.04 0.95 0.61 3gzuB1 THR 767 H -0.27 0.19 0.21 -0.55 8.28 7.86 3gzuB1 THR 767 HA -0.24 0.14 0.86 -0.75 4.39 4.39 3gzuB1 THR 767 HB -0.05 -0.02 0.07 -0.04 4.32 4.28 3gzuB1 THR 767 HG23 -0.06 0.01 -0.06 -0.04 1.22 1.07 3gzuB1 ASP 768 H -0.13 0.19 0.29 -0.55 8.40 8.20 3gzuB1 ASP 768 HA -0.15 0.09 0.69 -0.75 4.63 4.51 3gzuB1 ASP 768 HB2 -0.28 0.12 -0.26 -0.04 2.71 2.25 3gzuB1 ASP 768 HB3 -0.43 0.08 -0.00 -0.04 2.70 2.30 3gzuB1 SER 769 H -0.14 0.11 0.17 -0.55 8.46 8.06 3gzuB1 SER 769 HA -0.03 0.34 0.83 -0.75 4.49 4.88 3gzuB1 SER 769 HB2 -0.07 -0.04 0.09 -0.04 3.95 3.88 3gzuB1 SER 769 HB3 -0.02 -0.00 0.14 -0.04 3.93 4.01 3gzuB1 SER 770 H -0.24 0.04 0.01 -0.55 8.46 7.73 3gzuB1 SER 770 HA -1.17 0.07 0.45 -0.75 4.49 3.08 3gzuB1 SER 770 HB2 -0.24 0.02 0.19 -0.04 3.95 3.87 3gzuB1 SER 770 HB3 -0.51 -0.06 0.09 -0.04 3.93 3.41 3gzuB1 VAL 771 H -0.13 0.36 0.36 -0.55 8.24 8.28 3gzuB1 VAL 771 HA 0.14 0.09 0.29 -0.75 4.13 3.90 3gzuB1 VAL 771 HB 0.46 -0.18 0.14 -0.04 2.12 2.49 3gzuB1 VAL 771 HG13 0.20 0.01 -0.26 -0.04 0.97 0.88 3gzuB1 VAL 771 HG23 0.13 0.05 0.09 -0.04 0.95 1.18 3gzuB1 ILE 772 H 0.38 0.03 -0.30 -0.55 8.25 7.81 3gzuB1 ILE 772 HA 0.12 0.08 0.26 -0.75 4.18 3.89 3gzuB1 ILE 772 HB 0.57 0.00 0.05 -0.04 1.89 2.47 3gzuB1 ILE 772 HG12 0.09 0.01 -0.20 -0.04 1.49 1.35 3gzuB1 ILE 772 HG13 0.08 0.03 0.00 -0.04 1.21 1.29 3gzuB1 ILE 772 HG23 -0.00 -0.00 -0.06 -0.04 0.93 0.82 3gzuB1 ILE 772 HD13 0.13 0.01 -0.03 -0.04 0.88 0.94 3gzuB1 SER 773 H -0.06 0.07 -0.22 -0.55 8.46 7.70 3gzuB1 SER 773 HA 0.04 -0.01 0.30 -0.75 4.49 4.07 3gzuB1 SER 773 HB2 0.06 0.22 0.08 -0.04 3.95 4.27 3gzuB1 SER 773 HB3 0.04 -0.06 -0.06 -0.04 3.93 3.82 3gzuB1 LEU 774 H 0.29 0.33 -0.15 -0.55 8.37 8.30 3gzuB1 LEU 774 HA 0.12 -0.11 0.33 -0.75 4.35 3.94 3gzuB1 LEU 774 HB2 0.06 0.03 0.10 -0.04 1.64 1.79 3gzuB1 LEU 774 HB3 0.13 0.08 0.06 -0.04 1.64 1.86 3gzuB1 LEU 774 HG -0.61 -0.02 -0.02 -0.04 1.64 0.95 3gzuB1 LEU 774 HD13 0.01 -0.00 -0.08 -0.04 0.93 0.82 3gzuB1 LEU 774 HD23 -0.15 -0.02 -0.15 -0.04 0.89 0.53 3gzuB1 ILE 775 H 0.11 0.35 -0.14 -0.55 8.25 8.02 3gzuB1 ILE 775 HA 0.06 0.01 0.39 -0.75 4.18 3.89 3gzuB1 ILE 775 HB 0.02 0.07 0.11 -0.04 1.89 2.05 3gzuB1 ILE 775 HG12 -0.15 -0.03 0.00 -0.04 1.49 1.27 3gzuB1 ILE 775 HG13 0.01 -0.03 0.03 -0.04 1.21 1.17 3gzuB1 ILE 775 HG23 -0.04 -0.02 -0.04 -0.04 0.93 0.79 3gzuB1 ILE 775 HD13 0.09 -0.08 -0.04 -0.04 0.88 0.81 3gzuB1 ALA 776 H 0.06 0.50 -0.11 -0.55 8.40 8.31 3gzuB1 ALA 776 HA 0.03 0.06 0.51 -0.75 4.34 4.19 3gzuB1 ALA 776 HB3 0.04 -0.04 0.07 -0.04 1.41 1.43 3gzuB1 LYS 777 H 0.07 0.59 -0.45 -0.55 8.42 8.08 3gzuB1 LYS 777 HA 0.05 0.01 0.34 -0.75 4.32 3.97 3gzuB1 LYS 777 HB2 0.02 0.15 -0.40 -0.04 1.87 1.60 3gzuB1 LYS 777 HB3 0.01 -0.10 0.24 -0.04 1.79 1.90 3gzuB1 LYS 777 HG2 0.00 -0.02 0.03 -0.04 1.46 1.43 3gzuB1 LYS 777 HG3 -0.00 -0.12 0.10 -0.04 1.46 1.40 3gzuB1 LYS 777 HD2 0.03 0.20 0.08 -0.04 1.69 1.96 3gzuB1 LYS 777 HD3 0.02 0.06 -0.03 -0.04 1.68 1.69 3gzuB1 LYS 777 HE2 0.01 -0.06 0.02 -0.04 2.99 2.93 3gzuB1 LYS 777 HE3 0.01 0.01 0.07 -0.04 2.99 3.03 3gzuB1 LEU 778 H 0.11 0.22 -0.26 -0.55 8.37 7.89 3gzuB1 LEU 778 HA 0.05 0.13 0.27 -0.75 4.35 4.04 3gzuB1 LEU 778 HB2 0.04 -0.05 -0.05 -0.04 1.64 1.54 3gzuB1 LEU 778 HB3 0.01 0.01 -0.03 -0.04 1.64 1.58 3gzuB1 LEU 778 HG 0.07 0.13 -0.05 -0.04 1.64 1.75 3gzuB1 LEU 778 HD13 -0.04 -0.01 -0.03 -0.04 0.93 0.81 3gzuB1 LEU 778 HD23 0.02 0.04 -0.09 -0.04 0.89 0.82 3gzuB1 ASP 779 H 0.21 0.09 -0.26 -0.55 8.40 7.89 3gzuB1 ASP 779 HA 0.16 0.02 0.26 -0.75 4.63 4.31 3gzuB1 ASP 779 HB2 0.12 0.06 -0.01 -0.04 2.71 2.84 3gzuB1 ASP 779 HB3 0.30 0.03 0.03 -0.04 2.70 3.02 3gzuB1 ALA 780 H 0.01 0.45 -0.53 -0.55 8.40 7.78 3gzuB1 ALA 780 HA -0.35 0.09 0.56 -0.75 4.34 3.88 3gzuB1 ALA 780 HB3 -0.13 0.02 0.10 -0.04 1.41 1.36 3gzuB1 THR 781 H 0.12 0.58 -0.30 -0.55 8.28 8.12 3gzuB1 THR 781 HA 0.09 0.16 0.75 -0.75 4.39 4.63 3gzuB1 THR 781 HB 0.08 -0.22 0.23 -0.04 4.32 4.37 3gzuB1 THR 781 HG23 0.05 -0.01 -0.09 -0.04 1.22 1.12 3gzuB1 VAL 782 H 0.12 0.19 0.06 -0.55 8.24 8.06 3gzuB1 VAL 782 HA 0.01 -0.00 0.31 -0.75 4.13 3.69 3gzuB1 VAL 782 HB -0.35 0.00 -0.13 -0.04 2.12 1.61 3gzuB1 VAL 782 HG13 -0.16 0.15 -0.02 -0.04 0.97 0.90 3gzuB1 VAL 782 HG23 0.06 -0.00 0.02 -0.04 0.95 0.98 3gzuB1 PHE 783 H 0.82 0.00 -0.73 -0.55 8.34 7.88 3gzuB1 PHE 783 HA 0.00 -0.02 0.32 -0.75 4.62 4.16 3gzuB1 PHE 783 HB2 -0.00 0.10 0.01 -0.04 3.15 3.21 3gzuB1 PHE 783 HB3 0.01 -0.04 -0.10 -0.04 3.06 2.88 3gzuB1 PHE 783 HD2 -0.01 -0.01 -0.32 -0.04 7.28 6.89 3gzuB1 PHE 783 HE2 -0.02 0.05 -0.06 -0.04 7.38 7.30 3gzuB1 PHE 783 HZ -0.02 -0.06 -0.08 -0.04 7.32 7.12 3gzuB1 ALA 784 H 0.18 0.39 0.05 -0.55 8.40 8.47 3gzuB1 ALA 784 HA 0.09 -0.01 0.30 -0.75 4.34 3.97 3gzuB1 ALA 784 HB3 0.06 -0.01 0.04 -0.04 1.41 1.47 3gzuB1 GLN 785 H 0.04 0.12 -0.50 -0.55 8.47 7.57 3gzuB1 GLN 785 HA 0.01 -0.08 0.24 -0.75 4.36 3.78 3gzuB1 GLN 785 HB2 -0.01 0.15 0.12 -0.04 2.15 2.37 3gzuB1 GLN 785 HB3 -0.03 -0.22 0.19 -0.04 2.02 1.92 3gzuB1 GLN 785 HG2 -0.03 0.03 0.06 -0.04 2.40 2.43 3gzuB1 GLN 785 HG3 -0.01 -0.00 -0.08 -0.04 2.39 2.26 3gzuB1 GLN 785 HE21 0.00 -0.03 -0.01 -0.04 6.97 6.89 3gzuB1 GLN 785 HE22 0.00 0.01 -0.06 -0.04 7.69 7.61 3gzuB1 ILE 786 H -0.02 0.11 0.02 -0.55 8.25 7.81 3gzuB1 ILE 786 HA -0.00 -0.05 0.38 -0.75 4.18 3.76 3gzuB1 ILE 786 HB 0.03 -0.16 0.04 -0.04 1.89 1.75 3gzuB1 ILE 786 HG12 -0.05 -0.12 0.03 -0.04 1.49 1.31 3gzuB1 ILE 786 HG13 -0.01 0.36 0.03 -0.04 1.21 1.55 3gzuB1 ILE 786 HG23 0.01 -0.04 -0.09 -0.04 0.93 0.77 3gzuB1 ILE 786 HD13 0.01 -0.05 -0.08 -0.04 0.88 0.72 3gzuB1 VAL 787 H 0.03 0.10 -0.10 -0.55 8.24 7.72 3gzuB1 VAL 787 HA 0.03 -0.19 0.28 -0.75 4.13 3.50 3gzuB1 VAL 787 HB 0.03 0.06 0.20 -0.04 2.12 2.37 3gzuB1 VAL 787 HG13 0.03 -0.03 -0.09 -0.04 0.97 0.84 3gzuB1 VAL 787 HG23 0.05 -0.01 0.08 -0.04 0.95 1.03 3gzuB1 LYS 788 H 0.02 0.24 0.02 -0.55 8.42 8.14 3gzuB1 LYS 788 HA 0.02 -0.11 0.35 -0.75 4.32 3.82 3gzuB1 LYS 788 HB2 0.01 0.19 0.01 -0.04 1.87 2.04 3gzuB1 LYS 788 HB3 0.01 -0.11 0.12 -0.04 1.79 1.77 3gzuB1 LYS 788 HG2 0.01 -0.05 0.07 -0.04 1.46 1.45 3gzuB1 LYS 788 HG3 0.01 0.06 0.03 -0.04 1.46 1.52 3gzuB1 LYS 788 HD2 0.01 -0.02 -0.01 -0.04 1.69 1.63 3gzuB1 LYS 788 HD3 0.01 -0.03 0.00 -0.04 1.68 1.62 3gzuB1 LYS 788 HE2 0.01 -0.01 0.00 -0.04 2.99 2.95 3gzuB1 LYS 788 HE3 0.01 -0.00 -0.01 -0.04 2.99 2.95 3gzuB1 LEU 789 H 0.01 0.17 0.14 -0.55 8.37 8.14 3gzuB1 LEU 789 HA 0.02 0.09 0.88 -0.75 4.35 4.58 3gzuB1 LEU 789 HB2 0.01 -0.05 0.05 -0.04 1.64 1.61 3gzuB1 LEU 789 HB3 0.01 -0.07 -0.07 -0.04 1.64 1.47 3gzuB1 LEU 789 HG 0.01 0.03 -0.02 -0.04 1.64 1.62 3gzuB1 LEU 789 HD13 0.01 -0.02 -0.01 -0.04 0.93 0.87 3gzuB1 LEU 789 HD23 0.01 0.00 0.11 -0.04 0.89 0.97 3gzuB1 ARG 790 H 0.02 0.05 0.12 -0.55 8.46 8.09 3gzuB1 ARG 790 HA 0.02 0.00 0.25 -0.75 4.34 3.86 3gzuB1 ARG 790 HB2 0.03 0.01 0.19 -0.04 1.90 2.09 3gzuB1 ARG 790 HB3 0.02 -0.03 0.20 -0.04 1.80 1.95 3gzuB1 ARG 790 HG2 0.03 0.11 0.10 -0.04 1.67 1.87 3gzuB1 ARG 790 HG3 0.02 -0.02 0.08 -0.04 1.67 1.71 3gzuB1 ARG 790 HD2 0.05 -0.16 -0.04 -0.04 3.22 3.03 3gzuB1 ARG 790 HD3 0.03 0.04 -0.21 -0.04 3.22 3.03 3gzuB1 LYS 791 H 0.02 0.10 0.07 -0.55 8.42 8.05 3gzuB1 LYS 791 HA 0.01 0.03 0.37 -0.75 4.32 3.98 3gzuB1 LYS 791 HB2 0.01 0.21 -0.47 -0.04 1.87 1.57 3gzuB1 LYS 791 HB3 0.00 -0.38 0.31 -0.04 1.79 1.68 3gzuB1 LYS 791 HG2 0.00 -0.02 0.01 -0.04 1.46 1.42 3gzuB1 LYS 791 HG3 0.01 -0.01 0.02 -0.04 1.46 1.43 3gzuB1 LYS 791 HD2 0.01 0.02 -0.01 -0.04 1.69 1.66 3gzuB1 LYS 791 HD3 0.01 -0.02 -0.04 -0.04 1.68 1.59 3gzuB1 LYS 791 HE2 0.01 0.00 -0.07 -0.04 2.99 2.89 3gzuB1 LYS 791 HE3 0.01 0.07 -0.15 -0.04 2.99 2.88 3gzuB1 VAL 792 H -0.00 0.23 0.26 -0.55 8.24 8.18 3gzuB1 VAL 792 HA -0.02 0.05 0.25 -0.75 4.13 3.66 3gzuB1 VAL 792 HB -0.02 -0.03 0.13 -0.04 2.12 2.15 3gzuB1 VAL 792 HG13 0.00 -0.02 -0.53 -0.04 0.97 0.38 3gzuB1 VAL 792 HG23 0.00 0.18 0.17 -0.04 0.95 1.27 3gzuB1 ASP 793 H -0.00 0.01 -0.05 -0.55 8.40 7.81 3gzuB1 ASP 793 HA 0.00 0.19 0.61 -0.75 4.63 4.68 3gzuB1 ASP 793 HB2 0.00 -0.04 0.06 -0.04 2.71 2.69 3gzuB1 ASP 793 HB3 0.01 0.05 0.03 -0.04 2.70 2.74 3gzuB1 THR 794 H -0.01 -0.02 0.03 -0.55 8.28 7.73 3gzuB1 THR 794 HA -0.02 0.11 0.37 -0.75 4.39 4.10 3gzuB1 THR 794 HB -0.02 0.05 0.18 -0.04 4.32 4.48 3gzuB1 THR 794 HG23 -0.01 -0.02 0.08 -0.04 1.22 1.23 3gzuB1 LEU 795 H -0.04 0.63 -0.86 -0.55 8.37 7.56 3gzuB1 LEU 795 HA -0.13 0.30 0.98 -0.75 4.35 4.74 3gzuB1 LEU 795 HB2 -0.09 -0.09 -0.24 -0.04 1.64 1.18 3gzuB1 LEU 795 HB3 -0.08 0.05 0.04 -0.04 1.64 1.61 3gzuB1 LEU 795 HG -0.25 -0.02 -0.15 -0.04 1.64 1.17 3gzuB1 LEU 795 HD13 -0.38 0.01 -0.19 -0.04 0.93 0.33 3gzuB1 LEU 795 HD23 -0.16 -0.02 -0.07 -0.04 0.89 0.60 3gzuB1 LYS 796 H -0.07 0.16 -0.30 -0.55 8.42 7.66 3gzuB1 LYS 796 HA -0.02 0.03 0.41 -0.75 4.32 3.98 3gzuB1 LYS 796 HB2 -0.06 -0.02 0.06 -0.04 1.87 1.81 3gzuB1 LYS 796 HB3 -0.05 0.09 -0.08 -0.04 1.79 1.72 3gzuB1 LYS 796 HG2 -0.00 -0.06 0.05 -0.04 1.46 1.40 3gzuB1 LYS 796 HG3 -0.03 -0.04 -0.02 -0.04 1.46 1.34 3gzuB1 LYS 796 HD2 -0.03 -0.02 0.01 -0.04 1.69 1.61 3gzuB1 LYS 796 HD3 -0.03 0.08 0.02 -0.04 1.68 1.72 3gzuB1 LYS 796 HE2 0.00 0.00 0.04 -0.04 2.99 3.00 3gzuB1 LYS 796 HE3 -0.01 -0.03 0.01 -0.04 2.99 2.92 3gzuB1 PRO 797 HA -0.05 0.14 0.60 -0.51 4.44 4.62 3gzuB1 PRO 797 HB2 0.07 0.01 -0.16 -0.04 2.28 2.15 3gzuB1 PRO 797 HB3 0.04 0.03 -0.05 -0.04 2.02 2.00 3gzuB1 PRO 797 HG2 0.06 0.02 -0.16 -0.04 2.03 1.91 3gzuB1 PRO 797 HG3 -0.04 0.19 -0.11 -0.04 2.03 2.03 3gzuB1 PRO 797 HD2 0.06 -0.00 -0.10 -0.04 3.68 3.60 3gzuB1 PRO 797 HD3 0.01 0.13 0.12 -0.04 3.65 3.87 3gzuB1 ILE 798 H 0.07 0.17 0.07 -0.55 8.25 8.01 3gzuB1 ILE 798 HA -0.16 0.37 1.39 -0.75 4.18 5.02 3gzuB1 ILE 798 HB -0.33 0.01 -0.20 -0.04 1.89 1.33 3gzuB1 ILE 798 HG12 0.05 0.00 -0.06 -0.04 1.49 1.45 3gzuB1 ILE 798 HG13 0.11 -0.00 0.03 -0.04 1.21 1.30 3gzuB1 ILE 798 HG23 -0.16 0.01 -0.32 -0.04 0.93 0.42 3gzuB1 ILE 798 HD13 -0.01 -0.01 -0.34 -0.04 0.88 0.47 3gzuB1 LEU 799 H -0.25 0.77 0.38 -0.55 8.37 8.73 3gzuB1 LEU 799 HA 0.16 0.16 0.92 -0.75 4.35 4.83 3gzuB1 LEU 799 HB2 -0.22 0.17 0.16 -0.04 1.64 1.71 3gzuB1 LEU 799 HB3 0.08 -0.08 -0.03 -0.04 1.64 1.57 3gzuB1 LEU 799 HG 0.11 -0.01 -0.15 -0.04 1.64 1.56 3gzuB1 LEU 799 HD13 0.31 0.01 -0.08 -0.04 0.93 1.13 3gzuB1 LEU 799 HD23 0.12 0.00 0.03 -0.04 0.89 1.00 3gzuB1 TYR 800 H 0.33 0.11 0.13 -0.55 8.29 8.31 3gzuB1 TYR 800 HA -0.02 0.28 1.12 -0.75 4.56 5.19 3gzuB1 TYR 800 HB2 0.03 0.00 0.23 -0.04 3.06 3.28 3gzuB1 TYR 800 HB3 0.01 0.04 0.02 -0.04 2.98 3.01 3gzuB1 TYR 800 HD2 -0.00 -0.02 -0.14 -0.04 7.15 6.94 3gzuB1 TYR 800 HE2 -0.00 0.03 -0.16 -0.04 6.85 6.68 3gzuB1 LYS 801 H 0.05 0.04 0.03 -0.55 8.42 7.99 3gzuB1 LYS 801 HA 0.15 0.13 0.42 -0.75 4.32 4.26 3gzuB1 LYS 801 HB2 0.08 0.01 0.10 -0.04 1.87 2.02 3gzuB1 LYS 801 HB3 0.01 -0.08 0.16 -0.04 1.79 1.84 3gzuB1 LYS 801 HG2 -0.03 -0.11 0.06 -0.04 1.46 1.34 3gzuB1 LYS 801 HG3 -0.04 0.16 -0.01 -0.04 1.46 1.54 3gzuB1 LYS 801 HD2 -0.03 -0.05 0.01 -0.04 1.69 1.58 3gzuB1 LYS 801 HD3 -0.02 -0.04 0.00 -0.04 1.68 1.58 3gzuB1 LYS 801 HE2 -0.20 0.08 0.01 -0.04 2.99 2.84 3gzuB1 LYS 801 HE3 -0.32 -0.00 0.01 -0.04 2.99 2.63 3gzuB1 ILE 802 H 0.12 0.82 0.42 -0.55 8.25 9.06 3gzuB1 ILE 802 HA 0.04 0.08 0.94 -0.75 4.18 4.49 3gzuB1 ILE 802 HB 0.13 0.23 0.31 -0.04 1.89 2.52 3gzuB1 ILE 802 HG12 0.10 0.03 -0.08 -0.04 1.49 1.51 3gzuB1 ILE 802 HG13 0.16 -0.03 -0.24 -0.04 1.21 1.06 3gzuB1 ILE 802 HG23 0.11 -0.03 -0.04 -0.04 0.93 0.93 3gzuB1 ILE 802 HD13 0.12 -0.03 -0.09 -0.04 0.88 0.84 3gzuB1 ASN 803 H -0.13 0.22 0.05 -0.55 8.53 8.11 3gzuB1 ASN 803 HA -0.47 0.13 0.77 -0.75 4.76 4.43 3gzuB1 ASN 803 HB2 -1.71 0.04 -0.02 -0.04 2.88 1.15 3gzuB1 ASN 803 HB3 -1.04 0.15 -0.06 -0.04 2.79 1.80 3gzuB1 ASN 803 HD21 0.05 -0.09 0.02 -0.04 7.03 6.97 3gzuB1 ASN 803 HD22 0.25 0.15 -0.05 -0.04 7.74 8.04 3gzuB1 SER 804 H -0.33 0.38 0.06 -0.55 8.46 8.02 3gzuB1 SER 804 HA -1.03 0.09 0.32 -0.75 4.49 3.12 3gzuB1 SER 804 HB2 -0.15 0.02 -0.19 -0.04 3.95 3.59 3gzuB1 SER 804 HB3 -0.15 0.08 -0.54 -0.04 3.93 3.28 3gzuB1 ASP 805 H -0.31 0.64 -0.65 -0.55 8.40 7.53 3gzuB1 ASP 805 HA -0.20 0.19 0.65 -0.75 4.63 4.52 3gzuB1 ASP 805 HB2 -0.05 0.06 -0.38 -0.04 2.71 2.30 3gzuB1 ASP 805 HB3 -0.01 -0.15 -0.03 -0.04 2.70 2.46 3gzuB1 SER 806 H -0.02 0.15 0.04 -0.55 8.46 8.08 3gzuB1 SER 806 HA 0.00 0.06 0.27 -0.75 4.49 4.07 3gzuB1 SER 806 HB2 -0.00 0.03 0.05 -0.04 3.95 4.00 3gzuB1 SER 806 HB3 0.01 0.02 0.18 -0.04 3.93 4.09 3gzuB1 ASN 807 H -0.04 0.18 -1.50 -0.55 8.53 6.62 3gzuB1 ASN 807 HA 0.10 0.06 0.97 -0.75 4.76 5.14 3gzuB1 ASN 807 HB2 0.20 0.11 0.11 -0.04 2.88 3.25 3gzuB1 ASN 807 HB3 0.26 0.01 0.11 -0.04 2.79 3.12 3gzuB1 ASN 807 HD21 0.01 0.16 0.16 -0.04 7.03 7.33 3gzuB1 ASN 807 HD22 0.03 -0.05 0.18 -0.04 7.74 7.85 3gzuB1 ASP 808 H 0.16 0.22 0.06 -0.55 8.40 8.30 3gzuB1 ASP 808 HA 0.09 0.09 0.33 -0.75 4.63 4.38 3gzuB1 ASP 808 HB2 0.14 -0.03 -0.04 -0.04 2.71 2.74 3gzuB1 ASP 808 HB3 0.07 0.03 0.10 -0.04 2.70 2.86 3gzuB1 PHE 809 H 0.56 0.00 -0.49 -0.55 8.34 7.86 3gzuB1 PHE 809 HA 0.04 0.04 0.47 -0.75 4.62 4.41 3gzuB1 PHE 809 HB2 0.08 0.11 0.26 -0.04 3.15 3.55 3gzuB1 PHE 809 HB3 0.04 -0.02 0.19 -0.04 3.06 3.23 3gzuB1 PHE 809 HD2 0.02 -0.09 0.03 -0.04 7.28 7.21 3gzuB1 PHE 809 HE2 0.01 0.06 0.00 -0.04 7.38 7.40 3gzuB1 PHE 809 HZ 0.00 0.07 0.00 -0.04 7.32 7.36 3gzuB1 TYR 810 H 0.13 0.34 0.23 -0.55 8.29 8.44 3gzuB1 TYR 810 HA 0.09 0.33 1.15 -0.75 4.56 5.38 3gzuB1 TYR 810 HB2 0.04 0.23 -0.09 -0.04 3.06 3.20 3gzuB1 TYR 810 HB3 0.03 -0.07 0.11 -0.04 2.98 3.01 3gzuB1 TYR 810 HD2 0.03 0.08 0.01 -0.04 7.15 7.23 3gzuB1 TYR 810 HE2 -0.07 0.04 -0.05 -0.04 6.85 6.73 3gzuB1 LEU 811 H -0.02 0.11 -0.04 -0.55 8.37 7.87 3gzuB1 LEU 811 HA 0.07 0.08 0.47 -0.75 4.35 4.21 3gzuB1 LEU 811 HB2 -0.19 0.04 0.21 -0.04 1.64 1.65 3gzuB1 LEU 811 HB3 -0.02 0.05 0.11 -0.04 1.64 1.75 3gzuB1 LEU 811 HG -0.12 -0.06 0.10 -0.04 1.64 1.52 3gzuB1 LEU 811 HD13 -0.12 0.02 0.04 -0.04 0.93 0.83 3gzuB1 LEU 811 HD23 -0.01 -0.03 0.08 -0.04 0.89 0.89 3gzuB1 VAL 812 H -0.09 0.71 0.10 -0.55 8.24 8.41 3gzuB1 VAL 812 HA 0.13 0.22 0.79 -0.75 4.13 4.51 3gzuB1 VAL 812 HB 0.21 0.00 -0.17 -0.04 2.12 2.12 3gzuB1 VAL 812 HG13 -1.02 -0.14 -0.10 -0.04 0.97 -0.32 3gzuB1 VAL 812 HG23 -0.03 0.02 -0.31 -0.04 0.95 0.60 3gzuB1 ALA 813 H -0.18 0.25 0.21 -0.55 8.40 8.14 3gzuB1 ALA 813 HA 0.06 0.22 0.61 -0.75 4.34 4.48 3gzuB1 ALA 813 HB3 0.11 0.02 0.14 -0.04 1.41 1.63 3gzuB1 ASN 814 H 0.17 -0.06 -0.36 -0.55 8.53 7.72 3gzuB1 ASN 814 HA 0.07 0.15 0.58 -0.75 4.76 4.81 3gzuB1 ASN 814 HB2 0.34 -0.01 -0.08 -0.04 2.88 3.08 3gzuB1 ASN 814 HB3 0.06 0.02 0.07 -0.04 2.79 2.90 3gzuB1 ASN 814 HD21 0.13 0.03 -0.03 -0.04 7.03 7.12 3gzuB1 ASN 814 HD22 0.09 0.07 -0.09 -0.04 7.74 7.77 3gzuB1 TYR 815 H 0.33 0.27 -0.49 -0.55 8.29 7.85 3gzuB1 TYR 815 HA 0.03 0.11 0.81 -0.75 4.56 4.75 3gzuB1 TYR 815 HB2 0.02 0.05 -0.05 -0.04 3.06 3.03 3gzuB1 TYR 815 HB3 -0.01 0.08 -0.07 -0.04 2.98 2.94 3gzuB1 TYR 815 HD2 -0.04 -0.12 -0.25 -0.04 7.15 6.69 3gzuB1 TYR 815 HE2 -0.05 -0.04 -0.07 -0.04 6.85 6.66 3gzuB1 ASP 816 H 0.11 0.08 0.06 -0.55 8.40 8.10 3gzuB1 ASP 816 HA 0.13 0.04 0.38 -0.75 4.63 4.43 3gzuB1 ASP 816 HB2 0.10 0.01 0.01 -0.04 2.71 2.79 3gzuB1 ASP 816 HB3 0.07 -0.00 0.11 -0.04 2.70 2.84 3gzuB1 TRP 817 H 0.18 0.21 0.26 -0.55 7.97 8.08 3gzuB1 TRP 817 HA 0.02 -0.02 0.38 -0.75 4.62 4.25 3gzuB1 TRP 817 HB2 0.03 0.27 0.02 -0.04 3.23 3.51 3gzuB1 TRP 817 HB3 0.01 0.22 -0.31 -0.04 3.23 3.11 3gzuB1 TRP 817 HD1 0.00 0.00 0.13 -0.04 7.22 7.31 3gzuB1 TRP 817 HE1 -0.02 0.04 -0.03 -0.04 10.20 10.15 3gzuB1 TRP 817 HE3 -0.08 0.24 -0.05 -0.04 7.59 7.66 3gzuB1 TRP 817 HZ2 -0.04 -0.06 -0.07 -0.04 7.44 7.22 3gzuB1 TRP 817 HZ3 -0.15 -0.08 -0.07 -0.04 7.13 6.78 3gzuB1 TRP 817 HH2 -0.06 -0.04 -0.08 -0.04 7.19 6.97 3gzuB1 VAL 818 H -0.28 0.22 0.12 -0.55 8.24 7.76 3gzuB1 VAL 818 HA -0.52 0.19 0.76 -0.75 4.13 3.81 3gzuB1 VAL 818 HB -0.10 -0.02 -0.01 -0.04 2.12 1.96 3gzuB1 VAL 818 HG13 -0.13 0.02 0.00 -0.04 0.97 0.83 3gzuB1 VAL 818 HG23 -0.03 0.01 -0.26 -0.04 0.95 0.63 3gzuB1 PRO 819 HA -0.38 -0.03 0.40 -0.51 4.44 3.92 3gzuB1 PRO 819 HB2 -0.17 -0.08 0.22 -0.04 2.28 2.21 3gzuB1 PRO 819 HB3 -0.17 0.02 0.07 -0.04 2.02 1.89 3gzuB1 PRO 819 HG2 0.09 0.09 0.07 -0.04 2.03 2.24 3gzuB1 PRO 819 HG3 -0.42 0.04 0.06 -0.04 2.03 1.66 3gzuB1 PRO 819 HD2 -0.21 0.15 0.21 -0.04 3.68 3.79 3gzuB1 PRO 819 HD3 -0.47 0.20 0.20 -0.04 3.65 3.53 3gzuB1 THR 820 H 0.06 0.10 0.11 -0.55 8.28 8.01 3gzuB1 THR 820 HA -0.02 0.42 0.94 -0.75 4.39 4.97 3gzuB1 THR 820 HB 0.12 -0.03 0.22 -0.04 4.32 4.58 3gzuB1 THR 820 HG23 0.04 -0.02 0.00 -0.04 1.22 1.20 3gzuB1 SER 821 H -0.10 0.34 -0.02 -0.55 8.46 8.14 3gzuB1 SER 821 HA -0.16 0.03 0.67 -0.75 4.49 4.28 3gzuB1 SER 821 HB2 -0.13 0.10 0.03 -0.04 3.95 3.91 3gzuB1 SER 821 HB3 -0.29 -0.04 0.08 -0.04 3.93 3.64 3gzuB1 THR 822 H -0.07 0.15 0.22 -0.55 8.28 8.02 3gzuB1 THR 822 HA -0.05 0.17 0.45 -0.75 4.39 4.20 3gzuB1 THR 822 HB -0.10 -0.03 0.02 -0.04 4.32 4.18 3gzuB1 THR 822 HG23 -0.15 -0.02 0.07 -0.04 1.22 1.08 3gzuB1 THR 823 H -0.07 0.06 -0.36 -0.55 8.28 7.37 3gzuB1 THR 823 HA -0.08 0.12 0.52 -0.75 4.39 4.19 3gzuB1 THR 823 HB -0.06 -0.19 -0.20 -0.04 4.32 3.83 3gzuB1 THR 823 HG23 0.03 0.02 -0.06 -0.04 1.22 1.17 3gzuB1 LYS 824 H -0.03 0.30 0.23 -0.55 8.42 8.36 3gzuB1 LYS 824 HA 0.05 0.17 0.74 -0.75 4.32 4.52 3gzuB1 LYS 824 HB2 0.01 0.22 -0.31 -0.04 1.87 1.76 3gzuB1 LYS 824 HB3 -0.01 -0.05 -0.27 -0.04 1.79 1.42 3gzuB1 LYS 824 HG2 -0.04 -0.06 -0.24 -0.04 1.46 1.09 3gzuB1 LYS 824 HG3 -0.02 -0.01 -0.39 -0.04 1.46 1.00 3gzuB1 LYS 824 HD2 -0.01 0.17 -0.71 -0.04 1.69 1.10 3gzuB1 LYS 824 HD3 -0.02 -0.03 -0.26 -0.04 1.68 1.33 3gzuB1 LYS 824 HE2 -0.01 -0.01 -0.16 -0.04 2.99 2.76 3gzuB1 LYS 824 HE3 -0.01 -0.07 -0.17 -0.04 2.99 2.70 3gzuB1 VAL 825 H 0.05 0.42 0.34 -0.55 8.24 8.50 3gzuB1 VAL 825 HA 0.07 0.21 1.18 -0.75 4.13 4.84 3gzuB1 VAL 825 HB 0.12 -0.01 -0.00 -0.04 2.12 2.18 3gzuB1 VAL 825 HG13 0.13 0.09 0.02 -0.04 0.97 1.17 3gzuB1 VAL 825 HG23 0.11 -0.00 -0.27 -0.04 0.95 0.76 3gzuB1 TYR 826 H 0.18 0.48 0.22 -0.55 8.29 8.61 3gzuB1 TYR 826 HA -0.01 0.39 0.52 -0.75 4.56 4.70 3gzuB1 TYR 826 HB2 -0.01 0.02 0.20 -0.04 3.06 3.22 3gzuB1 TYR 826 HB3 -0.00 -0.01 0.25 -0.04 2.98 3.17 3gzuB1 TYR 826 HD2 -0.01 -0.04 -0.05 -0.04 7.15 7.01 3gzuB1 TYR 826 HE2 0.01 -0.07 -0.07 -0.04 6.85 6.68 3gzuB1 LYS 827 H 0.05 0.01 -0.11 -0.55 8.42 7.81 3gzuB1 LYS 827 HA -0.08 -0.06 0.43 -0.75 4.32 3.86 3gzuB1 LYS 827 HB2 -0.09 -0.12 0.09 -0.04 1.87 1.71 3gzuB1 LYS 827 HB3 -0.09 -0.11 0.07 -0.04 1.79 1.62 3gzuB1 LYS 827 HG2 -0.11 0.33 -0.20 -0.04 1.46 1.44 3gzuB1 LYS 827 HG3 -0.12 0.16 0.06 -0.04 1.46 1.52 3gzuB1 LYS 827 HD2 -0.30 -0.07 -0.10 -0.04 1.69 1.18 3gzuB1 LYS 827 HD3 -0.19 -0.21 -0.08 -0.04 1.68 1.17 3gzuB1 LYS 827 HE2 -0.05 0.04 -0.04 -0.04 2.99 2.90 3gzuB1 LYS 827 HE3 -0.09 0.56 0.02 -0.04 2.99 3.43 3gzuB1 GLN 828 H -0.23 -0.01 0.33 -0.55 8.47 8.01 3gzuB1 GLN 828 HA -0.17 -0.06 0.44 -0.75 4.36 3.82 3gzuB1 GLN 828 HB2 -0.30 0.02 0.21 -0.04 2.15 2.04 3gzuB1 GLN 828 HB3 -0.13 -0.01 0.11 -0.04 2.02 1.94 3gzuB1 GLN 828 HG2 -0.05 0.24 -0.09 -0.04 2.40 2.46 3gzuB1 GLN 828 HG3 -0.09 -0.12 0.13 -0.04 2.39 2.26 3gzuB1 GLN 828 HE21 -0.01 -0.07 -0.01 -0.04 6.97 6.83 3gzuB1 GLN 828 HE22 -0.01 0.13 -0.05 -0.04 7.69 7.72 3gzuB1 VAL 829 H -0.05 -0.03 0.14 -0.55 8.24 7.75 3gzuB1 VAL 829 HA -0.03 0.13 0.42 -0.75 4.13 3.90 3gzuB1 VAL 829 HB 0.04 -0.07 0.11 -0.04 2.12 2.16 3gzuB1 VAL 829 HG13 0.15 0.09 -0.08 -0.04 0.97 1.10 3gzuB1 VAL 829 HG23 -0.01 -0.04 0.03 -0.04 0.95 0.89 3gzuB1 PRO 830 HA 0.15 0.12 0.43 -0.51 4.44 4.62 3gzuB1 PRO 830 HB2 0.35 -0.09 -0.06 -0.04 2.28 2.45 3gzuB1 PRO 830 HB3 0.24 0.15 0.15 -0.04 2.02 2.52 3gzuB1 PRO 830 HG2 0.17 -0.04 0.03 -0.04 2.03 2.14 3gzuB1 PRO 830 HG3 0.11 0.25 0.07 -0.04 2.03 2.41 3gzuB1 PRO 830 HD2 0.16 -0.06 0.13 -0.04 3.68 3.87 3gzuB1 PRO 830 HD3 0.04 0.19 0.18 -0.04 3.65 4.02 3gzuB1 GLN 831 H 0.24 0.15 0.18 -0.55 8.47 8.50 3gzuB1 GLN 831 HA 0.14 0.11 0.71 -0.75 4.36 4.56 3gzuB1 GLN 831 HB2 0.20 -0.04 0.17 -0.04 2.15 2.44 3gzuB1 GLN 831 HB3 0.16 0.11 0.05 -0.04 2.02 2.30 3gzuB1 GLN 831 HG2 0.07 -0.00 0.02 -0.04 2.40 2.44 3gzuB1 GLN 831 HG3 0.10 0.06 0.01 -0.04 2.39 2.52 3gzuB1 GLN 831 HE21 0.04 -0.05 -0.00 -0.04 6.97 6.91 3gzuB1 GLN 831 HE22 0.07 0.08 -0.00 -0.04 7.69 7.79 3gzuB1 GLN 832 H 0.04 0.07 0.17 -0.55 8.47 8.21 3gzuB1 GLN 832 HA -0.64 0.11 0.44 -0.75 4.36 3.52 3gzuB1 GLN 832 HB2 -0.04 -0.03 0.09 -0.04 2.15 2.13 3gzuB1 GLN 832 HB3 -0.10 0.02 -0.05 -0.04 2.02 1.85 3gzuB1 GLN 832 HG2 -0.49 0.03 0.03 -0.04 2.40 1.93 3gzuB1 GLN 832 HG3 -0.10 0.01 0.02 -0.04 2.39 2.29 3gzuB1 GLN 832 HE21 0.01 -0.02 0.00 -0.04 6.97 6.92 3gzuB1 GLN 832 HE22 0.02 0.01 0.00 -0.04 7.69 7.69 3gzuB1 PHE 833 H -0.03 0.28 0.23 -0.55 8.34 8.26 3gzuB1 PHE 833 HA 0.43 0.23 1.08 -0.75 4.62 5.61 3gzuB1 PHE 833 HB2 -0.42 0.01 -0.24 -0.04 3.15 2.46 3gzuB1 PHE 833 HB3 -0.06 0.15 0.09 -0.04 3.06 3.19 3gzuB1 PHE 833 HD2 0.21 0.02 -0.10 -0.04 7.28 7.36 3gzuB1 PHE 833 HE2 0.06 0.03 -0.16 -0.04 7.38 7.27 3gzuB1 PHE 833 HZ 0.21 -0.01 -0.12 -0.04 7.32 7.37 3gzuB1 ASP 834 H -0.09 0.28 0.01 -0.55 8.40 8.05 3gzuB1 ASP 834 HA -0.53 0.18 1.00 -0.75 4.63 4.53 3gzuB1 ASP 834 HB2 -0.15 0.05 -0.12 -0.04 2.71 2.45 3gzuB1 ASP 834 HB3 -0.17 0.01 0.07 -0.04 2.70 2.57 3gzuB1 PHE 835 H -0.67 0.21 0.01 -0.55 8.34 7.33 3gzuB1 PHE 835 HA 0.05 0.10 0.29 -0.75 4.62 4.30 3gzuB1 PHE 835 HB2 -0.03 0.08 0.08 -0.04 3.15 3.24 3gzuB1 PHE 835 HB3 -0.18 -0.10 0.17 -0.04 3.06 2.90 3gzuB1 PHE 835 HD2 0.07 -0.05 -0.04 -0.04 7.28 7.21 3gzuB1 PHE 835 HE2 0.06 0.03 -0.08 -0.04 7.38 7.35 3gzuB1 PHE 835 HZ 0.47 0.08 -0.09 -0.04 7.32 7.74 3gzuB1 ARG 836 H -0.12 0.08 -0.02 -0.55 8.46 7.84 3gzuB1 ARG 836 HA -0.66 0.08 0.32 -0.75 4.34 3.34 3gzuB1 ARG 836 HB2 -0.22 -0.06 0.04 -0.04 1.90 1.62 3gzuB1 ARG 836 HB3 -0.27 0.07 0.03 -0.04 1.80 1.59 3gzuB1 ARG 836 HG2 -0.11 -0.14 0.07 -0.04 1.67 1.45 3gzuB1 ARG 836 HG3 -0.14 0.03 -0.02 -0.04 1.67 1.51 3gzuB1 ARG 836 HD2 -0.16 0.06 0.00 -0.04 3.22 3.08 3gzuB1 ARG 836 HD3 -0.15 0.02 0.03 -0.04 3.22 3.07 3gzuB1 ASN 837 H -0.23 0.01 -0.25 -0.55 8.53 7.52 3gzuB1 ASN 837 HA -0.27 0.08 0.37 -0.75 4.76 4.18 3gzuB1 ASN 837 HB2 -0.15 0.07 0.03 -0.04 2.88 2.78 3gzuB1 ASN 837 HB3 -0.16 -0.01 0.07 -0.04 2.79 2.65 3gzuB1 ASN 837 HD21 -0.11 -0.01 -0.02 -0.04 7.03 6.85 3gzuB1 ASN 837 HD22 -0.12 0.01 -0.02 -0.04 7.74 7.56 3gzuB1 SER 838 H -0.15 1.05 -0.03 -0.55 8.46 8.78 3gzuB1 SER 838 HA -0.14 0.05 0.75 -0.75 4.49 4.39 3gzuB1 SER 838 HB2 0.46 -0.01 -0.00 -0.04 3.95 4.35 3gzuB1 SER 838 HB3 0.44 0.03 -0.02 -0.04 3.93 4.34 3gzuB1 MET 839 H -0.36 0.44 -0.13 -0.55 8.47 7.88 3gzuB1 MET 839 HA -0.07 0.06 0.78 -0.75 4.52 4.54 3gzuB1 MET 839 HB2 -0.45 -0.14 -0.01 -0.04 2.15 1.51 3gzuB1 MET 839 HB3 -0.44 0.09 0.16 -0.04 2.03 1.81 3gzuB1 MET 839 HG2 0.09 0.21 0.01 -0.04 2.63 2.90 3gzuB1 MET 839 HG3 0.37 -0.10 -0.07 -0.04 2.56 2.72 3gzuB1 MET 839 HE3 0.07 0.04 -0.22 -0.04 2.10 1.95 3gzuB1 HIS 840 H 0.00 0.16 0.16 -0.55 8.41 8.19 3gzuB1 HIS 840 HA -0.19 0.16 0.87 -0.75 4.63 4.71 3gzuB1 HIS 840 HB2 -0.18 -0.09 -0.03 -0.04 3.26 2.93 3gzuB1 HIS 840 HB3 -0.51 0.11 0.02 -0.04 3.20 2.78 3gzuB1 HIS 840 HD2 -0.53 -0.02 -0.01 -0.04 6.97 6.37 3gzuB1 HIS 840 HE1 -0.19 -0.08 -0.08 -0.04 7.75 7.36 3gzuB1 MET 841 H 0.05 0.09 0.12 -0.55 8.47 8.19 3gzuB1 MET 841 HA 0.09 0.14 0.70 -0.75 4.52 4.69 3gzuB1 MET 841 HB2 0.06 -0.01 0.00 -0.04 2.15 2.17 3gzuB1 MET 841 HB3 0.08 -0.02 -0.04 -0.04 2.03 2.01 3gzuB1 MET 841 HG2 0.06 -0.01 -0.10 -0.04 2.63 2.54 3gzuB1 MET 841 HG3 0.08 -0.03 -0.11 -0.04 2.56 2.46 3gzuB1 MET 841 HE3 0.02 0.01 -0.10 -0.04 2.10 1.99 3gzuB1 LEU 842 H 0.12 0.25 0.06 -0.55 8.37 8.25 3gzuB1 LEU 842 HA 0.16 0.18 1.14 -0.75 4.35 5.08 3gzuB1 LEU 842 HB2 0.15 0.15 0.04 -0.04 1.64 1.94 3gzuB1 LEU 842 HB3 0.11 0.02 -0.15 -0.04 1.64 1.58 3gzuB1 LEU 842 HG 0.18 0.03 -0.68 -0.04 1.64 1.13 3gzuB1 LEU 842 HD13 0.12 -0.02 -0.18 -0.04 0.93 0.81 3gzuB1 LEU 842 HD23 0.17 -0.00 -0.03 -0.04 0.89 0.98 3gzuB1 THR 843 H 0.13 0.21 0.08 -0.55 8.28 8.15 3gzuB1 THR 843 HA 0.10 0.13 0.72 -0.75 4.39 4.58 3gzuB1 THR 843 HB 0.08 0.03 0.17 -0.04 4.32 4.56 3gzuB1 THR 843 HG23 0.07 0.00 -0.10 -0.04 1.22 1.15 3gzuB1 SER 844 H 0.10 0.61 0.40 -0.55 8.46 9.03 3gzuB1 SER 844 HA 0.06 0.16 0.89 -0.75 4.49 4.85 3gzuB1 SER 844 HB2 0.04 0.02 -0.09 -0.04 3.95 3.87 3gzuB1 SER 844 HB3 0.06 -0.02 0.00 -0.04 3.93 3.93 3gzuB1 ASN 845 H 0.09 0.16 0.20 -0.55 8.53 8.43 3gzuB1 ASN 845 HA 0.11 0.13 0.56 -0.75 4.76 4.81 3gzuB1 ASN 845 HB2 0.21 0.01 0.20 -0.04 2.88 3.26 3gzuB1 ASN 845 HB3 0.51 -0.01 0.07 -0.04 2.79 3.32 3gzuB1 ASN 845 HD21 0.05 0.00 0.05 -0.04 7.03 7.09 3gzuB1 ASN 845 HD22 0.27 0.00 0.06 -0.04 7.74 8.04 3gzuB1 LEU 846 H 0.12 0.27 0.22 -0.55 8.37 8.44 3gzuB1 LEU 846 HA 0.13 -0.09 0.73 -0.75 4.35 4.36 3gzuB1 LEU 846 HB2 0.10 0.03 -0.28 -0.04 1.64 1.46 3gzuB1 LEU 846 HB3 0.06 0.05 -0.10 -0.04 1.64 1.61 3gzuB1 LEU 846 HG 0.06 0.07 -0.56 -0.04 1.64 1.17 3gzuB1 LEU 846 HD13 0.08 -0.08 0.07 -0.04 0.93 0.97 3gzuB1 LEU 846 HD23 0.07 -0.01 -0.10 -0.04 0.89 0.82 3gzuB1 THR 847 H 0.15 -0.00 0.06 -0.55 8.28 7.94 3gzuB1 THR 847 HA 0.11 -0.10 0.40 -0.75 4.39 4.05 3gzuB1 THR 847 HB 0.01 0.20 0.36 -0.04 4.32 4.86 3gzuB1 THR 847 HG23 0.03 0.01 -0.05 -0.04 1.22 1.16 3gzuB1 PHE 848 H 0.22 -0.06 -0.08 -0.55 8.34 7.87 3gzuB1 PHE 848 HA -0.05 0.21 0.91 -0.75 4.62 4.94 3gzuB1 PHE 848 HB2 -0.28 -0.23 -0.07 -0.04 3.15 2.52 3gzuB1 PHE 848 HB3 -0.17 0.14 0.01 -0.04 3.06 2.99 3gzuB1 PHE 848 HD2 -0.13 -0.11 -0.25 -0.04 7.28 6.74 3gzuB1 PHE 848 HE2 -0.08 -0.05 -0.07 -0.04 7.38 7.14 3gzuB1 PHE 848 HZ -0.06 -0.03 0.01 -0.04 7.32 7.20 3gzuB1 THR 849 HA 0.06 0.02 0.60 -0.75 4.39 4.31 3gzuB1 THR 849 HB 0.41 -0.03 -0.20 -0.04 4.32 4.46 3gzuB1 THR 849 HG23 0.02 -0.01 -0.02 -0.04 1.22 1.16 3gzuB1 VAL 850 H 0.02 0.05 0.15 -0.55 8.24 7.91 3gzuB1 VAL 850 HA 0.21 0.34 0.93 -0.75 4.13 4.86 3gzuB1 VAL 850 HB 0.11 -0.10 0.11 -0.04 2.12 2.20 3gzuB1 VAL 850 HG13 0.16 0.00 -0.21 -0.04 0.97 0.88 3gzuB1 VAL 850 HG23 0.05 0.01 -0.08 -0.04 0.95 0.89 3gzuB1 TYR 851 H 0.35 0.70 0.40 -0.55 8.29 9.19 3gzuB1 TYR 851 HA 0.09 0.14 1.10 -0.75 4.56 5.13 3gzuB1 TYR 851 HB2 0.03 0.02 0.08 -0.04 3.06 3.15 3gzuB1 TYR 851 HB3 0.09 -0.01 0.05 -0.04 2.98 3.07 3gzuB1 TYR 851 HD2 0.25 0.07 -0.15 -0.04 7.15 7.27 3gzuB1 TYR 851 HE2 0.16 0.03 -0.14 -0.04 6.85 6.87 3gzuB1 SER 852 H 0.12 0.16 0.20 -0.55 8.46 8.39 3gzuB1 SER 852 HA 0.07 0.24 0.84 -0.75 4.49 4.88 3gzuB1 SER 852 HB2 0.05 0.00 0.01 -0.04 3.95 3.97 3gzuB1 SER 852 HB3 0.04 -0.05 0.11 -0.04 3.93 3.99 3gzuB1 ASP 853 H 0.04 0.21 0.08 -0.55 8.40 8.18 3gzuB1 ASP 853 HA 0.05 0.06 0.38 -0.75 4.63 4.38 3gzuB1 ASP 853 HB2 0.06 -0.04 -0.25 -0.04 2.71 2.44 3gzuB1 ASP 853 HB3 0.12 0.15 0.24 -0.04 2.70 3.17 3gzuB1 LEU 854 H 0.14 0.96 -0.11 -0.55 8.37 8.82 3gzuB1 LEU 854 HA -0.02 0.03 0.18 -0.75 4.35 3.79 3gzuB1 LEU 854 HB2 -0.23 0.03 -0.63 -0.04 1.64 0.77 3gzuB1 LEU 854 HB3 -0.29 -0.45 0.33 -0.04 1.64 1.20 3gzuB1 LEU 854 HG -0.26 0.04 -0.12 -0.04 1.64 1.25 3gzuB1 LEU 854 HD13 -0.82 0.02 -0.08 -0.04 0.93 0.00 3gzuB1 LEU 854 HD23 -0.32 -0.02 -0.07 -0.04 0.89 0.44 3gzuB1 LEU 855 H -0.08 0.18 0.15 -0.55 8.37 8.07 3gzuB1 LEU 855 HA 0.18 0.05 0.36 -0.75 4.35 4.18 3gzuB1 LEU 855 HB2 0.21 -0.10 -0.08 -0.04 1.64 1.63 3gzuB1 LEU 855 HB3 0.43 -0.00 -0.01 -0.04 1.64 2.03 3gzuB1 LEU 855 HG 0.17 0.10 0.13 -0.04 1.64 2.00 3gzuB1 LEU 855 HD13 0.39 -0.01 0.00 -0.04 0.93 1.27 3gzuB1 LEU 855 HD23 0.36 0.01 0.03 -0.04 0.89 1.24 3gzuB1 ALA 856 H 0.15 0.12 0.02 -0.55 8.40 8.14 3gzuB1 ALA 856 HA 0.01 -0.01 0.41 -0.75 4.34 3.99 3gzuB1 ALA 856 HB3 0.04 0.00 0.08 -0.04 1.41 1.49 3gzuB1 PHE 857 H 0.75 0.15 -0.51 -0.55 8.34 8.17 3gzuB1 PHE 857 HA 0.03 -0.03 0.39 -0.75 4.62 4.26 3gzuB1 PHE 857 HB2 0.04 0.04 -0.06 -0.04 3.15 3.13 3gzuB1 PHE 857 HB3 0.03 -0.12 0.12 -0.04 3.06 3.05 3gzuB1 PHE 857 HD2 0.02 0.06 -0.13 -0.04 7.28 7.20 3gzuB1 PHE 857 HE2 0.07 0.03 -0.01 -0.04 7.38 7.43 3gzuB1 PHE 857 HZ 0.39 0.01 -0.02 -0.04 7.32 7.65 3gzuB1 VAL 858 H 0.20 0.44 -0.60 -0.55 8.24 7.74 3gzuB1 VAL 858 HA 0.19 0.06 0.73 -0.75 4.13 4.34 3gzuB1 VAL 858 HB 0.33 -0.07 -0.07 -0.04 2.12 2.26 3gzuB1 VAL 858 HG13 0.21 -0.01 -0.20 -0.04 0.97 0.93 3gzuB1 VAL 858 HG23 0.23 0.13 -0.05 -0.04 0.95 1.23 3gzuB1 SER 859 H 0.13 0.44 0.32 -0.55 8.46 8.80 3gzuB1 SER 859 HA 0.05 0.09 0.71 -0.75 4.49 4.59 3gzuB1 SER 859 HB2 0.08 -0.02 -0.00 -0.04 3.95 3.97 3gzuB1 SER 859 HB3 0.05 -0.05 -0.05 -0.04 3.93 3.84 3gzuB1 ALA 860 H 0.06 0.23 0.16 -0.55 8.40 8.30 3gzuB1 ALA 860 HA 0.09 0.14 0.69 -0.75 4.34 4.51 3gzuB1 ALA 860 HB3 0.20 0.02 -0.05 -0.04 1.41 1.54 3gzuB1 ASP 861 H 0.05 0.19 0.14 -0.55 8.40 8.23 3gzuB1 ASP 861 HA 0.01 0.17 0.90 -0.75 4.63 4.96 3gzuB1 ASP 861 HB2 0.01 -0.00 0.02 -0.04 2.71 2.70 3gzuB1 ASP 861 HB3 -0.01 -0.11 0.19 -0.04 2.70 2.74 3gzuB1 THR 862 H -0.03 0.23 0.21 -0.55 8.28 8.13 3gzuB1 THR 862 HA -0.14 0.19 0.90 -0.75 4.39 4.58 3gzuB1 THR 862 HB -0.09 -0.09 0.05 -0.04 4.32 4.14 3gzuB1 THR 862 HG23 -0.22 0.16 -0.04 -0.04 1.22 1.09 3gzuB1 VAL 863 H -0.10 0.45 0.24 -0.55 8.24 8.28 3gzuB1 VAL 863 HA -0.03 -0.01 0.41 -0.75 4.13 3.74 3gzuB1 VAL 863 HB -0.05 0.07 -0.04 -0.04 2.12 2.07 3gzuB1 VAL 863 HG13 -0.02 -0.04 0.12 -0.04 0.97 0.99 3gzuB1 VAL 863 HG23 -0.02 0.10 0.07 -0.04 0.95 1.06 3gzuB1 GLU 864 H -0.03 0.09 0.15 -0.55 8.60 8.27 3gzuB1 GLU 864 HA -0.03 0.21 0.70 -0.75 4.29 4.41 3gzuB1 GLU 864 HB2 -0.02 -0.02 0.16 -0.04 2.09 2.17 3gzuB1 GLU 864 HB3 -0.02 -0.04 0.04 -0.04 1.99 1.93 3gzuB1 GLU 864 HG2 -0.02 0.07 0.04 -0.04 2.34 2.38 3gzuB1 GLU 864 HG3 -0.02 -0.01 0.05 -0.04 2.34 2.32 3gzuB1 PRO 865 HA -0.03 0.07 0.18 -0.51 4.44 4.15 3gzuB1 PRO 865 HB2 -0.02 0.14 -0.01 -0.04 2.28 2.35 3gzuB1 PRO 865 HB3 -0.02 0.04 0.10 -0.04 2.02 2.10 3gzuB1 PRO 865 HG2 -0.02 -0.09 0.04 -0.04 2.03 1.92 3gzuB1 PRO 865 HG3 -0.02 0.04 0.10 -0.04 2.03 2.11 3gzuB1 PRO 865 HD2 -0.02 0.03 0.26 -0.04 3.68 3.90 3gzuB1 PRO 865 HD3 -0.03 0.22 0.22 -0.04 3.65 4.01 3gzuB1 ILE 866 H -0.02 0.02 -0.38 -0.55 8.25 7.32 3gzuB1 ILE 866 HA -0.02 0.10 0.31 -0.75 4.18 3.81 3gzuB1 ILE 866 HB -0.01 -0.01 -0.01 -0.04 1.89 1.81 3gzuB1 ILE 866 HG12 -0.02 0.06 0.01 -0.04 1.49 1.50 3gzuB1 ILE 866 HG13 -0.02 -0.08 0.01 -0.04 1.21 1.08 3gzuB1 ILE 866 HG23 -0.01 0.00 0.09 -0.04 0.93 0.97 3gzuB1 ILE 866 HD13 -0.01 -0.01 0.00 -0.04 0.88 0.81 3gzuB1 ASN 867 H -0.03 0.42 -0.77 -0.55 8.53 7.61 3gzuB1 ASN 867 HA -0.02 0.20 0.96 -0.75 4.76 5.14 3gzuB1 ASN 867 HB2 -0.02 0.01 0.14 -0.04 2.88 2.97 3gzuB1 ASN 867 HB3 -0.02 -0.03 0.09 -0.04 2.79 2.79 3gzuB1 ASN 867 HD21 -0.01 -0.05 -0.06 -0.04 7.03 6.87 3gzuB1 ASN 867 HD22 -0.02 -0.04 0.01 -0.04 7.74 7.66 3gzuB1 ALA 868 H -0.04 0.31 0.01 -0.55 8.40 8.14 3gzuB1 ALA 868 HA -0.09 0.18 0.89 -0.75 4.34 4.57 3gzuB1 ALA 868 HB3 -0.16 0.03 -0.02 -0.04 1.41 1.22 3gzuB1 VAL 869 H -0.26 0.37 0.17 -0.55 8.24 7.96 3gzuB1 VAL 869 HA -0.08 -0.19 0.56 -0.75 4.13 3.67 3gzuB1 VAL 869 HB -0.04 0.01 -0.19 -0.04 2.12 1.86 3gzuB1 VAL 869 HG13 -0.01 -0.09 -0.15 -0.04 0.97 0.68 3gzuB1 VAL 869 HG23 -0.03 0.09 -0.30 -0.04 0.95 0.67 3gzuB1 ALA 870 H -0.06 -0.09 0.03 -0.55 8.40 7.74 3gzuB1 ALA 870 HA 0.04 0.33 0.76 -0.75 4.34 4.72 3gzuB1 ALA 870 HB3 -0.16 -0.01 0.09 -0.04 1.41 1.29 3gzuB1 PHE 871 H -0.61 0.20 0.12 -0.55 8.34 7.49 3gzuB1 PHE 871 HA 0.04 0.16 0.36 -0.75 4.62 4.43 3gzuB1 PHE 871 HB2 0.02 0.03 -0.03 -0.04 3.15 3.13 3gzuB1 PHE 871 HB3 0.03 0.08 0.11 -0.04 3.06 3.24 3gzuB1 PHE 871 HD2 0.04 -0.03 0.04 -0.04 7.28 7.30 3gzuB1 PHE 871 HE2 0.10 -0.06 0.07 -0.04 7.38 7.45 3gzuB1 PHE 871 HZ 0.11 0.10 0.21 -0.04 7.32 7.70 3gzuB1 ASP 872 H 0.43 -0.05 -0.30 -0.55 8.40 7.93 3gzuB1 ASP 872 HA 0.11 0.08 0.26 -0.75 4.63 4.32 3gzuB1 ASP 872 HB2 -0.13 0.10 0.03 -0.04 2.71 2.67 3gzuB1 ASP 872 HB3 -0.15 -0.18 0.02 -0.04 2.70 2.35 3gzuB1 ASN 873 H -0.01 -0.02 -0.25 -0.55 8.53 7.70 3gzuB1 ASN 873 HA -0.00 0.02 0.23 -0.75 4.76 4.25 3gzuB1 ASN 873 HB2 0.03 0.16 -0.22 -0.04 2.88 2.81 3gzuB1 ASN 873 HB3 0.01 0.13 0.28 -0.04 2.79 3.16 3gzuB1 ASN 873 HD21 0.01 -0.04 0.04 -0.04 7.03 7.00 3gzuB1 ASN 873 HD22 0.00 0.00 0.02 -0.04 7.74 7.73 3gzuB1 MET 874 H -0.11 -0.10 -0.48 -0.55 8.47 7.23 3gzuB1 MET 874 HA -0.03 0.16 0.62 -0.75 4.52 4.53 3gzuB1 MET 874 HB2 -0.06 0.02 -0.01 -0.04 2.15 2.07 3gzuB1 MET 874 HB3 -0.13 -0.06 0.01 -0.04 2.03 1.82 3gzuB1 MET 874 HG2 -0.01 0.06 -0.15 -0.04 2.63 2.50 3gzuB1 MET 874 HG3 -0.01 -0.00 0.05 -0.04 2.56 2.55 3gzuB1 MET 874 HE3 0.05 0.01 -0.02 -0.04 2.10 2.10 3gzuB1 ARG 875 H -0.10 -0.21 -0.11 -0.55 8.46 7.48 3gzuB1 ARG 875 HA -0.02 0.35 0.45 -0.75 4.34 4.37 3gzuB1 ARG 875 HB2 -0.00 0.65 0.81 -0.04 1.90 3.31 3gzuB1 ARG 875 HB3 0.03 -0.18 -0.12 -0.04 1.80 1.49 3gzuB1 ARG 875 HG2 0.01 0.29 -0.13 -0.04 1.67 1.80 3gzuB1 ARG 875 HG3 -0.01 0.02 0.13 -0.04 1.67 1.77 3gzuB1 ARG 875 HD2 0.00 -0.01 0.09 -0.04 3.22 3.26 3gzuB1 ARG 875 HD3 0.01 -0.14 0.02 -0.04 3.22 3.08 3gzuB1 ILE 876 H -0.02 0.19 -0.50 -0.55 8.25 7.36 3gzuB1 ILE 876 HA 0.31 0.01 0.45 -0.75 4.18 4.20 3gzuB1 ILE 876 HB 0.01 0.02 -0.07 -0.04 1.89 1.81 3gzuB1 ILE 876 HG12 -0.08 -0.03 -0.26 -0.04 1.49 1.08 3gzuB1 ILE 876 HG13 -0.03 0.11 -0.79 -0.04 1.21 0.46 3gzuB1 ILE 876 HG23 -0.23 -0.03 -0.35 -0.04 0.93 0.29 3gzuB1 ILE 876 HD13 -0.12 0.01 -0.15 -0.04 0.88 0.58 3gzuB1 MET 877 H -0.01 0.04 0.08 -0.55 8.47 8.03 3gzuB1 MET 877 HA -0.02 -0.06 0.38 -0.75 4.52 4.07 3gzuB1 MET 877 HB2 -0.02 -0.11 -0.25 -0.04 2.15 1.73 3gzuB1 MET 877 HB3 -0.01 0.17 0.16 -0.04 2.03 2.31 3gzuB1 MET 877 HG2 -0.02 0.18 0.08 -0.04 2.63 2.82 3gzuB1 MET 877 HG3 -0.02 -0.10 -0.08 -0.04 2.56 2.32 3gzuB1 MET 877 HE3 -0.03 -0.05 -0.08 -0.04 2.10 1.90 3gzuB1 ASN 878 H 0.01 0.04 -0.06 -0.55 8.53 7.98 3gzuB1 ASN 878 HA 0.01 0.25 0.73 -0.75 4.76 4.99 3gzuB1 ASN 878 HB2 0.06 0.20 -0.37 -0.04 2.88 2.72 3gzuB1 ASN 878 HB3 0.06 -0.06 0.03 -0.04 2.79 2.78 3gzuB1 ASN 878 HD21 0.01 -0.02 0.05 -0.04 7.03 7.04 3gzuB1 ASN 878 HD22 0.02 -0.07 0.29 -0.04 7.74 7.93 3gzuB1 GLU 879 H -0.01 0.23 -0.19 -0.55 8.60 8.08 3gzuB1 GLU 879 HA -0.00 0.22 0.88 -0.75 4.29 4.63 3gzuB1 GLU 879 HB2 -0.02 -0.00 0.01 -0.04 2.09 2.03 3gzuB1 GLU 879 HB3 -0.02 -0.01 0.17 -0.04 1.99 2.09 3gzuB1 GLU 879 HG2 -0.02 -0.03 -0.18 -0.04 2.34 2.06 3gzuB1 GLU 879 HG3 -0.02 -0.02 -0.03 -0.04 2.34 2.24 3gzuB1 LEU 880 H -0.00 0.24 -0.39 -0.55 8.37 7.67 3gzuB1 LEU 880 HA -0.01 0.11 0.10 -0.75 4.35 3.80 3gzuB1 LEU 880 HB2 -0.00 -0.01 -0.02 -0.04 1.64 1.56 3gzuB1 LEU 880 HB3 -0.01 0.01 0.04 -0.04 1.64 1.64 3gzuB1 LEU 880 HG -0.00 0.04 -0.02 -0.04 1.64 1.62 3gzuB1 LEU 880 HD13 -0.00 -0.00 0.00 -0.04 0.93 0.89 3gzuB1 LEU 880 HD23 -0.00 0.02 0.01 -0.04 0.89 0.87