NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 L 4.2956 8.1693 122.4302 53.8312 42.1705 176.0894 7 P 4.1544 0.0000 0.0000 61.2744 31.7990 174.8297 8 Q 3.9328 8.6779 123.7566 56.2422 29.8395 175.7808 9 P 5.0517 0.0000 0.0000 62.6164 33.6081 174.7939 10 S 4.8920 8.7600 113.5422 56.4255 66.4881 172.5989 11 L 5.4647 8.6473 122.7887 53.3929 44.5866 175.4773 12 S 4.9594 9.2112 119.9561 56.3752 66.6374 172.4065 13 L 5.1425 8.2888 122.3519 53.7010 44.5315 175.2895 14 H 5.0025 9.0588 122.7377 53.3895 32.9420 171.7529 15 P 4.7329 0.0000 0.0000 62.6909 32.0313 176.0286 16 S 4.6181 8.4772 112.2629 58.0717 64.8275 174.0814 17 Q 4.5980 7.8818 119.2689 54.9681 30.8502 174.9948 18 G 3.9469 8.6671 108.2171 46.4860 0.0000 173.7729 19 V 3.9639 7.6311 119.0254 62.2922 32.4761 175.0104 20 S 5.0019 8.9057 121.7379 55.9313 66.6274 173.4060 21 L 4.1686 8.3914 121.3824 57.0515 41.6506 178.0892 22 G 4.0282 9.3091 111.7726 45.2547 0.0000 173.6057 23 D 4.6777 7.9089 119.4684 54.4065 42.4534 175.3675 24 T 4.8769 8.2834 117.3480 62.2862 70.1538 174.6261 25 V 4.5299 8.3133 119.1931 59.7299 35.5447 174.7545 26 T 4.8978 8.5859 119.0141 61.8279 71.9968 172.9243 27 L 5.0277 9.0382 127.1769 53.2043 43.9128 175.3654 28 R 4.8931 9.0524 125.9330 54.7179 32.3622 173.7829 29 C 5.2215 9.3897 127.7983 55.4733 39.7777 171.8633 30 H 5.4617 9.4301 125.1554 54.6584 30.0513 174.6669 31 L 4.9108 8.2640 122.6005 53.7703 43.8031 173.5485 32 P 4.4196 0.0000 0.0000 62.5686 32.2760 177.5763 33 R 4.5555 8.4197 119.2174 55.3179 28.5631 175.9990 34 M 4.9605 7.2318 114.7528 52.8009 34.8554 177.2370 35 A 4.3769 8.5766 122.2241 52.5016 19.2238 176.6547 36 A 4.7614 8.4831 121.7121 50.7865 23.6493 175.2366 37 W 4.7709 9.0733 120.6281 56.0129 30.7671 175.7173 38 V 5.1813 9.4356 125.1890 61.3471 33.9311 174.1843 39 Q 5.3400 9.7785 126.2704 54.1399 32.2669 174.0284 40 L 5.0689 8.9610 125.2565 53.1260 44.3583 174.9467 41 W 4.9451 9.5643 126.2993 54.7021 32.5290 174.4225 42 L 4.4815 8.6859 125.6200 53.4973 44.3532 176.1295 43 N 3.9229 9.9728 124.7155 54.4674 36.6944 175.2784 44 G 4.0815 8.7387 102.8442 45.9951 0.0000 174.0271 45 T 4.6357 7.7936 115.7381 60.7005 71.7910 173.3801 46 L 2.7693 7.1289 127.2210 55.0915 42.4542 175.6603 47 R 3.9258 8.4186 126.7017 57.5218 30.8433 175.9499 48 F 5.3890 7.4620 116.0390 55.7406 43.6097 172.9297 49 D 5.8497 8.8379 119.2551 52.3876 42.9715 174.0723 50 K 4.8653 9.3534 117.1838 56.1168 36.3008 174.4997 51 E 3.5166 8.2922 120.5634 55.7733 30.6122 176.6554 52 K 4.4189 8.5795 124.6314 54.3342 34.8630 174.9316 53 D 4.6356 8.4406 128.1435 54.4360 41.6018 178.5954 54 K 3.9594 8.9758 122.9684 60.7192 32.6153 179.3965 *55 E 4.1452 7.9552 113.5963 57.4805 30.1395 179.6776 56 Q 4.2155 7.5151 115.7867 56.6682 29.3987 176.2230 57 D 4.5045 8.5851 120.0738 55.9130 41.5951 175.7077 58 A 4.9700 7.4279 118.1589 50.8147 22.3317 175.1155 59 A 4.5978 8.6378 121.3071 50.1502 21.6822 175.7233 60 E 4.9922 8.3963 120.5094 54.4608 32.4526 175.5444 61 F 4.6797 9.4245 123.3965 56.0855 41.1759 174.5545 62 S 5.3117 8.6556 120.3327 56.6137 65.0112 173.7511 63 F 5.0810 8.4419 117.9084 55.4524 41.5484 173.2417 64 A 4.6542 8.6976 121.8944 51.5969 19.7766 177.4562 65 V 4.2608 9.1473 122.7819 63.0179 32.0099 176.5185 66 T 4.6680 9.2471 118.1409 61.3405 70.2201 173.0930 67 N 4.7702 7.7891 118.3097 51.9779 39.9273 175.2679 68 L 4.1007 8.3647 118.0717 57.7283 41.7498 179.0207 69 E 4.3108 8.0717 115.7673 57.6003 29.6038 177.4143 70 D 4.5678 8.0826 118.8904 56.5016 41.1966 176.9592 71 A 4.3863 7.5847 121.3624 52.2311 19.4148 178.0384 72 G 3.5787 7.6303 106.2237 44.7840 0.0000 172.2284 73 T 4.8876 8.4424 120.1408 61.7420 69.9492 173.7243 74 Y 5.1127 9.1146 125.6069 57.0294 40.0820 175.1633 75 Q 5.1374 9.3718 121.3735 54.5600 34.0398 171.3432 76 C 6.1817 9.4635 114.8818 52.9841 42.2192 172.8628 77 R 5.2807 8.6702 118.9627 55.1347 33.6990 173.0511 78 Y 5.6523 9.0974 122.1038 55.7710 42.2588 173.9578 79 Q 5.1799 9.3205 118.0504 54.7329 33.8412 174.4561 80 V 5.1212 9.0454 114.9951 59.8670 36.0297 176.4080 81 S 4.6999 8.9360 115.2102 58.3643 63.7433 174.5969 82 E 4.3400 7.6703 120.3240 54.1373 30.6265 172.9878 83 P 4.2840 0.0000 0.0000 61.7953 32.5204 177.6787 84 L 4.5836 7.7423 118.6126 53.3219 40.2793 175.6395 85 W 5.4354 8.9564 121.8621 54.8830 33.4257 173.9405 86 T 5.1376 8.4584 117.0253 60.0861 69.9450 173.5305 87 S 4.2464 8.5057 122.6437 57.6390 64.2578 173.4777 88 N 4.5321 8.3039 117.8276 52.4144 39.1525 175.1811 89 Q 4.2987 8.1904 118.8965 56.1075 29.1841 177.1079 90 S 4.5933 9.0810 118.3134 57.8206 63.7164 173.9408 91 D 4.6796 8.6349 120.4019 54.0035 41.2177 174.8096 92 P 4.8238 0.0000 0.0000 62.8525 32.7514 175.5717 93 V 4.4979 8.8914 120.9332 61.1924 35.0062 173.5850 94 E 5.0750 8.7889 128.3009 54.7179 31.7412 174.0278 95 L 4.4127 9.0743 129.9482 54.3228 43.4289 175.1644 96 V 4.7331 8.4489 126.3962 61.0865 33.6464 174.5056 97 L 4.6277 8.6564 127.8229 54.8445 43.0126 176.6686 98 T 3.6435 9.2595 120.6809 63.8791 68.7589 171.6217 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 6 L 8.17 4.30 0.00 1.25 1.43 0.95 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 P 0.00 4.15 0.00 2.40 2.11 0.00 4.03 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.12 0.00 8 Q 8.68 3.93 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.09 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 9 P 0.00 5.05 0.00 2.34 2.50 0.00 3.86 0.00 0.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 10 S 8.76 4.89 0.00 3.93 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.65 5.46 0.00 1.72 1.63 1.10 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 12 S 9.21 4.96 0.00 3.92 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 8.29 5.14 0.00 1.56 1.49 0.76 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 14 H 9.06 5.00 0.00 3.10 3.10 0.00 5.86 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 P 0.00 4.73 0.00 2.16 2.04 0.00 3.75 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.92 0.00 16 S 8.48 4.62 0.00 3.95 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 Q 7.88 4.60 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 18 G 8.67 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 V 7.63 3.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.94 0.00 0.00 20 S 8.91 5.00 0.00 3.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.39 4.17 0.00 1.65 1.66 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 22 G 9.31 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.91 4.68 0.00 2.73 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.28 4.88 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 25 V 8.31 4.53 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.08 0.00 0.00 26 T 8.59 4.90 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 27 L 9.04 5.03 0.00 1.78 1.75 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 28 R 9.05 4.89 0.00 1.87 1.81 0.00 3.29 0.00 0.00 3.13 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.45 0.00 29 C 9.39 5.22 0.00 3.29 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 9.43 5.46 0.00 3.16 3.22 0.00 5.86 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.26 4.91 0.00 1.05 1.26 0.85 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 32 P 0.00 4.42 0.00 2.08 2.06 0.00 3.31 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 33 R 8.42 4.56 0.00 1.79 1.98 0.00 3.19 0.00 0.00 2.25 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.00 34 M 7.23 4.96 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 35 A 8.58 4.38 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 8.48 4.76 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 W 9.07 4.77 0.00 3.50 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 V 9.44 5.18 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 1.01 0.00 0.00 39 Q 9.78 5.34 0.00 2.45 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.55 0.00 0.00 0.00 0.00 0.00 2.49 2.58 0.00 40 L 8.96 5.07 0.00 0.27 1.02 1.04 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 W 9.56 4.95 0.00 3.33 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.69 4.48 0.00 1.09 1.16 0.20 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 43 N 9.97 3.92 0.00 2.76 2.82 0.00 0.00 7.14 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.74 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 T 7.79 4.64 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 46 L 7.13 2.77 0.00 0.27 0.82 0.41 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.42 3.93 0.00 1.36 1.44 0.00 2.89 0.00 0.00 2.63 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.86 0.00 48 F 7.46 5.39 0.00 2.88 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 8.84 5.85 0.00 3.07 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.35 4.87 0.00 1.77 1.99 0.00 0.76 0.00 0.00 0.72 0.00 0.00 2.57 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.14 1.20 7.81 51 E 8.29 3.52 0.00 1.48 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.47 0.00 52 K 8.58 4.42 0.00 1.66 1.54 0.00 1.56 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.21 1.40 7.81 53 D 8.44 4.64 0.00 2.51 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.98 3.96 0.00 1.94 2.08 0.00 1.48 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.42 7.81 *55 E 7.96 4.15 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.90 0.00 56 Q 7.52 4.22 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 57 D 8.59 4.50 0.00 2.69 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 7.43 4.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 A 8.64 4.60 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.40 4.99 0.00 1.71 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.22 0.00 61 F 9.42 4.68 0.00 3.14 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 S 8.66 5.31 0.00 3.70 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.44 5.08 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 A 8.70 4.65 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 9.15 4.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.98 0.00 0.00 66 T 9.25 4.67 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 67 N 7.79 4.77 0.00 2.87 2.95 0.00 0.00 6.25 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.36 4.10 0.00 1.75 1.78 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 69 E 8.07 4.31 0.00 1.96 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 70 D 8.08 4.57 0.00 2.97 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.58 4.39 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.63 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.44 4.89 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 74 Y 9.11 5.11 0.00 3.18 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Q 9.37 5.14 0.00 1.98 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.70 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 76 C 9.46 6.18 0.00 3.27 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.67 5.28 0.00 1.95 1.95 0.00 2.67 0.00 0.00 3.62 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 78 Y 9.10 5.65 0.00 3.23 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 Q 9.32 5.18 0.00 2.21 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.72 0.00 0.00 0.00 0.00 0.00 2.35 2.49 0.00 80 V 9.05 5.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.17 0.00 0.00 81 S 8.94 4.70 0.00 3.99 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 E 7.67 4.34 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.23 0.00 83 P 0.00 4.28 0.00 1.04 1.45 0.00 3.39 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.52 0.00 84 L 7.74 4.58 0.00 1.66 1.73 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 85 W 8.96 5.44 0.00 3.23 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.46 5.14 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 87 S 8.51 4.25 0.00 3.58 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.30 4.53 0.00 2.65 2.71 0.00 0.00 6.93 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 Q 8.19 4.30 0.00 1.80 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.99 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 90 S 9.08 4.59 0.00 3.94 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 D 8.63 4.68 0.00 2.61 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.82 0.00 2.11 2.06 0.00 3.72 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 93 V 8.89 4.50 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.02 0.00 0.00 94 E 8.79 5.07 0.00 2.18 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 95 L 9.07 4.41 0.00 1.95 1.88 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 96 V 8.45 4.73 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.96 0.00 0.00 97 L 8.66 4.63 0.00 1.70 1.61 0.99 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 98 T 9.26 3.64 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.