NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4361 8.3349 115.4114 58.6337 64.2218 172.7337 10 D 4.6707 8.4458 117.9142 54.0484 40.9331 175.0151 11 M 4.4539 8.1326 120.3390 53.0938 34.5798 174.1961 12 P 4.8020 0.0000 0.0000 63.0264 32.5564 175.7352 13 V 5.0539 8.5395 122.8241 60.4133 35.5710 174.2519 14 A 4.7260 8.7006 122.1527 51.5033 23.3507 174.9636 15 H 4.8461 9.4249 122.7230 54.4949 32.3748 171.7460 16 V 4.7454 8.6305 119.1770 59.6742 33.6106 175.7861 17 V 5.1704 8.2815 116.8875 59.4895 34.6904 175.0649 18 A 4.1207 8.4473 124.4855 51.6162 19.4279 177.1293 19 N 4.1890 9.1224 121.6147 52.9841 39.1688 174.2868 20 P 4.0592 0.0000 0.0000 65.0806 31.7852 177.7950 21 Q 4.1547 8.3698 116.4848 57.7127 29.8181 176.7858 22 A 4.3439 7.4906 121.9329 51.2806 16.9754 177.3572 23 E 4.3899 7.7525 120.0437 57.7164 30.7002 176.5248 24 G 4.1406 9.3474 110.3530 45.2721 0.0000 173.0894 25 Q 4.5416 7.6016 114.7402 53.9251 31.4406 174.8309 26 L 4.1452 8.1532 120.1080 53.3442 42.0170 174.6196 27 Q 4.3671 7.7301 127.6179 53.6684 31.3761 174.1814 28 W 5.1044 8.7531 127.5007 56.6624 29.9660 176.1138 29 L 4.9707 10.0419 125.4489 53.3425 43.9698 176.8353 30 N 4.9286 8.5476 113.5705 53.4866 40.3769 175.5227 31 R 4.3426 7.9007 118.7554 56.2352 29.7235 175.8265 32 R 4.6949 7.4579 115.4950 53.7015 34.4638 175.3352 33 A 4.2206 8.4155 123.0098 53.7615 18.7187 177.4735 34 N 4.3186 9.0431 118.6035 53.8248 35.8544 173.6827 35 A 5.1678 7.7192 118.7603 50.3301 21.9831 176.8721 36 L 4.7210 8.7822 118.5406 53.1251 46.4915 175.8778 37 L 4.7998 8.4654 118.1103 55.0794 44.0948 172.4007 38 A 4.4502 8.8292 127.5896 50.6893 23.6559 175.0347 39 N 4.3812 9.8554 112.7832 55.2398 36.0463 175.4559 40 G 3.9882 8.4641 106.2414 45.5582 0.0000 175.1677 41 V 4.0656 7.7465 120.3765 62.7417 32.2220 175.0689 42 E 4.6281 8.6039 127.1558 54.7137 32.3933 174.8608 43 L 4.7936 8.4411 124.9429 52.9653 42.0394 173.9042 44 R 4.5772 8.4448 121.4638 54.8347 32.5674 176.1763 45 D 4.5134 9.3646 122.0780 55.6483 38.1769 173.7997 46 N 4.3939 8.6335 113.1655 54.2889 37.7594 172.7757 47 Q 5.0351 7.7353 114.7217 54.2699 32.6456 174.1528 48 L 4.7861 9.0187 120.9424 53.4053 43.9802 175.8400 49 V 4.6046 8.5117 123.8110 60.9779 33.8427 174.7543 50 V 3.6658 8.5130 129.1409 62.2988 31.7448 175.2576 51 P 4.3759 0.0000 0.0000 65.0830 31.7444 176.2029 52 S 4.6274 7.3776 110.0601 56.7172 65.8592 173.5554 53 E 5.1123 7.9015 121.5241 55.9660 30.2198 175.6841 54 G 3.9476 8.2296 107.6403 43.6432 0.0000 171.8322 55 L 5.1164 8.2190 119.4238 53.8057 43.5755 175.7845 56 Y 5.1571 9.3196 120.8999 56.0281 41.9671 174.3499 57 L 4.9367 9.1411 126.0606 54.5415 43.8264 175.2892 58 I 5.2231 9.4858 127.3608 59.7467 40.3222 174.2067 59 Y 5.3814 8.5665 124.0823 56.0613 42.0458 173.7997 60 S 5.0090 8.4092 112.3394 57.7320 66.7278 173.7062 61 Q 4.8854 8.5059 126.0445 54.4160 32.5325 174.1792 62 V 4.6912 8.2989 117.6954 59.3264 36.2098 174.2995 63 L 5.0411 7.8902 123.2416 53.5993 45.0113 175.2760 64 F 5.5557 9.2523 125.4864 56.4954 41.7997 175.0256 65 S 4.2821 7.8033 113.8893 57.8895 65.9684 174.0611 66 G 3.6762 5.3800 108.1278 44.6314 0.0000 172.8769 67 Q 4.3693 8.6258 117.9765 56.1020 29.6740 176.1688 68 G 4.0842 7.2231 104.4854 45.6537 0.0000 173.6244 69 C 4.8312 8.6919 117.7086 54.1947 40.8920 172.0433 70 P 4.1050 0.0000 0.0000 63.6261 31.4820 178.4217 71 S 4.6268 7.6705 112.7166 56.9272 65.4149 175.6169 72 T 3.7234 8.0661 110.4001 63.9976 68.4936 174.2739 73 H 4.4482 7.3057 117.5576 54.6573 29.4880 172.5071 74 V 4.1520 8.0587 125.1842 61.0225 32.7702 174.2105 75 L 4.7779 8.3194 126.4206 52.9191 44.1302 175.5259 76 L 4.6451 8.7014 124.8966 52.9826 44.0277 175.7364 77 T 5.1603 8.9080 113.2990 60.1079 72.4184 172.2959 78 H 5.5266 9.0328 122.9944 54.9469 33.3901 172.1975 79 T 5.0014 8.8962 121.3025 62.0174 73.1680 172.7691 80 I 5.0631 8.9042 127.4220 59.0571 38.9666 174.9687 81 S 5.1469 8.4827 121.3872 56.3112 66.8429 172.7039 82 R 4.7730 8.9880 121.2317 54.8789 32.7780 174.7285 83 I 4.6423 8.6273 128.2446 59.7670 36.8610 174.8894 84 A 4.6261 8.1725 129.3071 51.2637 19.4905 179.1537 85 V 3.7708 8.4613 121.2831 65.8296 31.8604 178.0587 86 S 4.2606 8.0934 113.6560 60.6391 63.1091 173.2378 87 Y 4.3855 7.4713 120.5861 55.7889 39.4519 174.6307 88 Q 4.4592 8.2515 129.0298 52.7400 27.6554 175.4459 89 T 4.6472 7.4205 106.7877 59.5223 72.1402 173.2344 90 P 4.2590 0.0000 0.0000 63.6553 32.0655 175.6483 91 V 4.4166 8.4393 124.1424 60.7163 34.6302 174.3057 92 N 4.5670 8.8363 125.5131 53.8406 38.4308 174.4554 93 L 4.3239 8.6717 124.2682 56.1353 42.9931 177.2515 94 L 4.9661 7.4187 116.9880 53.2917 46.0293 175.4355 95 S 5.0810 8.5698 114.6086 57.7439 65.4978 173.1789 96 A 4.8486 8.7692 125.3948 50.8829 22.9264 175.1336 97 I 5.0735 8.2148 118.7254 59.7401 41.2743 175.0705 98 R 4.7251 9.0309 124.6429 54.8464 34.1080 174.1945 99 S 4.8423 8.2562 118.4994 55.0604 64.5161 171.9904 100 P 4.2779 0.0000 0.0000 62.7291 31.4929 177.3034 101 C 4.7818 7.4658 115.2539 55.2335 42.9677 173.5522 102 Q 4.1958 8.4303 120.5315 55.5916 30.5836 175.6510 *111 A 4.1546 7.6748 119.9295 52.2467 18.6410 175.7349 112 N 4.8110 8.0595 117.9623 51.8912 40.1203 173.1575 113 P 4.7486 0.0000 0.0000 62.4721 32.6241 175.9707 114 W 5.4306 7.9536 117.8352 55.3086 31.8540 173.3347 115 Y 5.1951 9.0685 119.6033 56.3850 40.6371 174.5957 116 E 4.9020 9.8233 123.8125 54.1254 32.8171 172.9356 117 P 5.2227 0.0000 0.0000 61.5471 33.1979 175.1123 118 I 4.8262 8.5894 123.4649 59.7235 40.5961 173.8832 119 Y 5.1317 8.6935 125.4735 55.9493 41.9533 174.2804 120 L 4.9797 7.9801 124.7248 53.1286 46.2708 175.7783 121 G 4.3888 8.4942 104.6558 45.9978 0.0000 172.6901 122 G 4.1404 8.7978 110.7665 45.9358 0.0000 171.7199 123 V 5.0188 7.8946 119.4704 61.0787 33.3995 174.7847 124 F 5.0341 9.1452 125.0328 55.8054 43.9464 173.2071 125 Q 5.0031 8.8667 122.0951 55.5175 29.9204 174.8295 126 L 5.1047 9.1653 125.5972 53.0718 45.9583 175.3418 127 E 5.0805 8.9350 120.2066 53.6176 33.1332 174.0429 128 P 4.6062 0.0000 0.0000 64.3397 31.7893 177.3287 129 G 3.9884 8.7649 111.5486 44.9954 0.0000 173.5725 130 D 4.6794 7.8635 120.4141 54.5447 42.0771 175.5892 131 R 5.1260 8.6325 120.8502 54.3585 33.7155 174.6953 132 L 5.3055 8.9144 122.8905 52.9047 45.1275 175.6628 133 S 5.0493 8.7319 116.9963 56.3853 66.5220 173.0065 134 A 4.5655 8.5153 123.8399 50.3808 20.2350 175.2544 135 E 4.9157 9.0965 121.1846 55.2331 33.2192 175.6387 136 I 5.5636 8.6268 115.9322 58.2778 40.2499 175.0226 137 N 4.5244 8.4760 120.5656 54.4346 38.4587 175.7788 138 R 4.7299 7.8662 118.8910 53.6085 30.2840 174.2624 139 P 4.4869 0.0000 0.0000 64.3264 31.9490 177.7040 140 D 4.5817 7.9978 116.2411 54.2093 39.9903 176.1760 141 Y 4.7826 7.9918 117.0996 57.6581 39.2611 175.7732 142 L 4.0860 7.3250 119.2219 54.7021 42.1497 176.2076 143 D 4.3640 8.0324 120.4064 52.7944 42.7627 175.3802 144 F 4.9873 8.1213 123.7132 57.2794 39.7492 176.6724 145 A 4.1411 8.1327 125.6421 54.8906 18.0781 177.7318 146 E 4.8486 7.7727 111.6596 54.1989 33.0570 175.5861 147 S 4.5364 8.4655 114.2660 59.0460 64.1328 174.7206 148 G 4.1622 9.1774 110.6410 45.7193 0.0000 174.0523 149 Q 4.3300 8.0187 118.0199 57.2078 29.8094 175.8656 150 V 4.7777 7.8754 117.4127 61.4298 34.5450 173.9062 151 Y 5.7197 8.6674 125.3297 56.3287 42.4539 173.7728 152 F 4.8922 8.7069 119.6459 57.4610 43.1979 172.9935 153 G 3.8738 8.0343 112.6531 45.3363 0.0000 171.3557 154 I 5.8160 8.4267 113.1310 59.3084 41.8468 173.6622 155 I 4.9397 8.1858 120.0843 59.9453 41.2038 173.1667 156 A 3.9086 8.3460 131.1432 51.4861 19.1985 177.4977 157 L 4.2856 8.3905 120.8305 54.7775 41.7709 176.5849 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 9 S 8.33 4.44 0.00 3.98 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 D 8.45 4.67 0.00 2.75 2.70 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 11 M 8.13 4.45 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 12 P 0.00 4.80 0.00 2.26 2.10 0.00 3.46 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 13 V 8.54 5.05 2.10 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 0.76 0.00 0.00 1.01 0.00 0.00 14 A 8.70 4.73 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 H 9.42 4.85 0.00 3.26 3.18 0.00 5.76 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.63 4.75 2.29 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 0.77 0.00 0.00 0.48 0.00 0.00 17 V 8.28 5.17 2.24 0.00 0.00 0.00 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 1.01 0.00 0.00 18 A 8.45 4.12 0.90 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 0.00 0.00 0.00 0.00 0.00 19 N 9.12 4.19 0.00 2.68 2.50 0.00 0.00 7.03 8.28 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 20 P 0.00 4.06 0.00 2.06 2.13 0.00 3.62 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 2.00 2.05 0.00 21 Q 8.37 4.15 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.60 0.00 0.00 0.00 0.00 0.00 2.35 2.34 0.00 22 A 7.49 4.34 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.75 4.39 0.00 2.15 2.09 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 2.30 2.33 0.00 24 G 9.35 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.60 4.54 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.22 2.42 0.00 26 L 8.15 4.15 0.00 1.42 1.39 0.17 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 7.73 4.37 0.00 2.01 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.89 0.00 0.00 0.00 0.00 0.00 2.25 2.30 0.00 28 W 8.75 5.10 0.00 3.30 3.07 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 29 L 10.04 4.97 0.00 1.55 1.59 0.89 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 30 N 8.55 4.93 0.00 2.77 2.87 0.00 0.00 6.08 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 7.90 4.34 0.00 1.82 1.98 0.00 3.21 0.00 0.00 3.24 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.72 0.00 32 R 7.46 4.69 0.00 1.82 1.79 0.00 3.31 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 33 A 8.42 4.22 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 9.04 4.32 0.00 2.93 2.97 0.00 0.00 6.86 7.35 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 35 A 7.72 5.17 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.78 4.72 0.00 1.62 1.51 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.47 4.80 0.00 1.54 1.52 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 38 A 8.83 4.45 1.22 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 0.00 0.00 0.00 39 N 9.86 4.38 0.00 2.99 2.90 0.00 0.00 7.02 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.46 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.75 4.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 1.03 0.00 0.00 42 E 8.60 4.63 0.00 1.86 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 43 L 8.44 4.79 0.00 1.59 1.56 1.01 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.44 4.58 0.00 1.83 1.80 0.00 3.33 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 45 D 9.36 4.51 0.00 2.85 2.78 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 0.00 0.00 0.00 46 N 8.63 4.39 0.00 2.89 2.99 0.00 0.00 7.06 7.08 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 47 Q 7.74 5.04 0.00 2.21 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.47 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 48 L 9.02 4.79 0.00 1.41 1.38 -0.09 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.51 4.60 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.95 0.00 0.00 50 V 8.51 3.67 2.13 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 0.67 0.00 0.00 0.62 0.00 0.00 51 P 0.00 4.38 0.00 2.14 2.17 0.00 3.89 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.24 0.00 52 S 7.38 4.63 0.00 3.94 3.84 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 0.00 0.00 0.00 53 E 7.90 5.11 0.00 2.00 1.94 0.00 0.00 0.00 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 2.61 0.00 54 G 8.23 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 55 L 8.22 5.12 0.00 1.58 1.60 0.92 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.32 5.16 0.00 2.94 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.14 4.94 0.00 1.83 1.69 1.09 0.91 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 58 I 9.49 5.22 2.15 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.03 0.97 0.00 0.00 59 Y 8.57 5.38 0.00 3.05 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 60 S 8.41 5.01 0.00 3.93 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 61 Q 8.51 4.89 0.00 2.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.45 0.00 0.00 0.00 0.00 0.00 2.24 2.56 0.00 62 V 8.30 4.69 1.54 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 0.39 0.00 0.00 0.81 0.00 0.00 63 L 7.89 5.04 0.00 1.85 1.44 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.25 5.56 0.00 3.28 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.80 4.28 0.00 2.72 3.22 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 0.00 66 G 5.38 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 Q 8.63 4.37 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.67 0.00 0.00 0.00 0.00 0.00 2.23 2.20 0.00 68 G 7.22 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 69 C 8.69 4.83 0.00 2.93 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 70 P 0.00 4.10 0.00 2.09 2.01 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 71 S 7.67 4.63 0.00 3.88 3.96 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 3.72 4.18 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 1.15 0.00 0.00 73 H 7.31 4.45 0.00 3.28 3.27 0.00 5.54 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.06 4.15 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.86 0.00 0.00 75 L 8.32 4.78 0.00 1.45 1.45 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.70 4.65 0.00 1.16 0.32 0.52 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 77 T 8.91 5.16 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 1.18 0.00 0.00 78 H 9.03 5.53 0.00 3.43 3.24 0.00 5.73 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.90 5.00 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 1.22 0.00 0.00 80 I 8.90 5.06 1.75 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.53 1.55 0.81 0.00 0.00 81 S 8.48 5.15 0.00 3.86 4.05 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.99 4.77 0.00 1.65 1.66 0.00 2.96 0.00 0.00 3.11 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 83 I 8.63 4.64 1.87 0.00 0.00 0.87 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 1.01 0.92 0.00 0.00 84 A 8.17 4.63 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.46 3.77 2.09 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 0.81 0.00 0.00 1.05 0.00 0.00 86 S 8.09 4.26 0.00 4.09 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 87 Y 7.47 4.39 0.00 2.89 2.82 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 0.00 0.00 0.00 88 Q 8.25 4.46 0.00 2.01 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.44 0.00 0.00 0.00 0.00 0.00 2.65 2.28 0.00 89 T 7.42 4.65 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 90 P 0.00 4.26 0.00 1.97 2.08 0.00 3.64 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.12 0.00 91 V 8.44 4.42 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.91 0.00 0.00 92 N 8.84 4.57 0.00 2.60 2.72 0.00 0.00 7.03 7.85 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 93 L 8.67 4.32 0.00 1.18 0.50 0.38 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.42 4.97 0.00 1.53 1.54 1.13 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.57 5.08 0.00 3.82 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 A 8.77 4.85 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.21 5.07 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.89 0.00 0.00 98 R 9.03 4.73 0.00 1.86 1.63 0.00 3.07 0.00 0.00 3.25 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 99 S 8.26 4.84 0.00 3.70 3.69 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 0.00 0.00 0.00 0.00 100 P 0.00 4.28 0.00 0.49 0.87 0.00 3.17 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 0.49 1.21 0.00 101 C 7.47 4.78 0.00 2.63 2.78 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 0.00 0.00 0.00 102 Q 8.43 4.20 0.00 1.92 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.00 0.00 0.00 0.00 0.00 0.00 2.18 2.23 0.00 *111 A 7.67 4.15 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 N 8.06 4.81 0.00 2.69 2.82 0.00 0.00 7.26 8.02 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 0.00 113 P 0.00 4.75 0.00 2.11 2.01 0.00 3.72 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 114 W 7.95 5.43 0.00 3.33 3.08 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 0.00 115 Y 9.07 5.20 0.00 2.89 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 0.00 116 E 9.82 4.90 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.21 0.00 117 P 0.00 5.22 0.00 2.17 2.16 0.00 3.58 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.23 0.00 118 I 8.59 4.83 2.08 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.69 1.05 0.00 0.00 119 Y 8.69 5.13 0.00 3.00 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.98 4.98 0.00 1.48 1.48 0.77 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.49 4.39 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 0.00 122 G 8.80 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.89 5.02 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 124 F 9.15 5.03 0.00 3.07 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.87 5.00 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.77 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 126 L 9.17 5.10 0.00 1.46 1.32 0.32 0.54 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 0.00 127 E 8.93 5.08 0.00 2.04 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 2.25 2.42 0.00 128 P 0.00 4.61 0.00 2.05 2.14 0.00 3.69 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.18 0.00 129 G 8.76 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 D 7.86 4.68 0.00 2.77 2.52 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 0.00 0.00 0.00 0.00 131 R 8.63 5.13 0.00 1.76 1.78 0.00 3.06 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.66 0.00 132 L 8.91 5.31 0.00 1.62 1.66 0.76 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.73 5.05 0.00 3.86 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 0.00 134 A 8.52 4.57 0.31 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 0.00 135 E 9.10 4.92 0.00 1.91 1.83 0.00 0.00 0.00 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 2.23 0.00 136 I 8.63 5.56 2.21 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.88 1.02 0.00 0.00 137 N 8.48 4.52 0.00 2.59 3.01 0.00 0.00 6.74 7.54 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 0.00 138 R 7.87 4.73 0.00 2.00 2.26 0.00 3.35 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 139 P 0.00 4.49 0.00 2.35 2.10 0.00 3.62 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 140 D 8.00 4.58 0.00 2.55 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 Y 7.99 4.78 0.00 3.49 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.33 4.09 0.00 1.55 0.84 0.95 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.03 4.36 0.00 2.46 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.12 4.99 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 A 8.13 4.14 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 E 7.77 4.85 0.00 2.30 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.23 0.00 147 S 8.47 4.54 0.00 4.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 9.18 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.02 4.33 0.00 2.19 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 150 V 7.88 4.78 2.29 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 1.15 0.00 0.00 0.99 0.00 0.00 151 Y 8.67 5.72 0.00 3.01 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 0.00 152 F 8.71 4.89 0.00 1.93 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.03 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.43 5.82 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.07 0.67 0.00 0.00 155 I 8.19 4.94 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.29 0.99 0.00 0.00 156 A 8.35 3.91 0.78 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 0.00 0.00 0.00 0.00 0.00 157 L 8.39 4.29 0.00 1.41 1.50 0.92 0.72 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 * Residues marked with a * may have inaccurate shift predictions.