NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5099 8.3044 118.7921 54.6211 33.1190 174.6830 2 D 4.6203 8.1440 110.9303 53.0099 41.2951 172.9784 3 P 4.5394 0.0000 0.0000 61.4324 34.1665 175.2067 4 V 3.8812 8.3041 122.5566 63.6089 31.6539 175.2046 5 V 4.1803 8.9286 127.6206 63.9909 33.1281 175.7083 6 L 4.6947 7.5384 121.2213 53.2605 45.5954 174.3495 7 S 5.1352 8.8465 120.8835 56.8002 64.1540 172.7814 8 Y 4.6513 8.9892 128.9149 56.6383 41.4078 175.7293 9 M 3.2646 7.9370 129.6470 56.9931 31.2275 178.8305 10 D 4.6463 9.4867 128.2119 55.9688 41.3135 176.1027 11 S 4.7979 8.5434 117.2516 57.1449 64.3578 172.7513 12 L 5.1599 8.2869 124.7010 53.3740 44.8451 175.2080 13 L 4.8204 9.1517 126.4350 53.1124 44.6885 176.4176 14 R 4.7633 9.2373 122.8541 54.3269 33.1480 177.0677 15 Q 3.9251 8.8004 120.4986 59.6506 28.5667 178.5086 16 S 4.1451 8.4450 114.5295 61.4766 63.1839 176.1078 17 D 4.4835 7.9846 121.8950 57.3068 40.7430 178.7541 18 V 3.5779 7.7035 118.6415 66.0225 31.4865 178.1242 19 S 4.1901 8.2465 114.9060 61.3720 62.3942 176.3091 20 L 4.2236 7.6040 120.2957 56.6904 41.4600 178.5673 21 L 4.3277 7.7074 118.0614 55.2157 42.0770 176.5087 22 D 4.6013 7.8322 121.2350 52.5554 41.2193 174.4491 23 P 4.5352 0.0000 0.0000 62.2792 31.9757 173.9025 24 P 3.0329 0.0000 0.0000 62.2395 31.4490 176.2263 25 S 4.2964 7.4118 114.2256 59.0649 63.2627 173.9135 26 W 4.9675 8.5310 122.5371 55.6558 30.0564 176.7923 27 L 4.2421 8.7010 122.8471 54.8089 41.8153 176.8663 28 N 5.3065 8.3981 120.0084 51.3143 41.1327 175.4777 29 D 4.3251 8.7467 119.3592 56.9780 39.2618 177.9203 30 H 4.2588 8.2218 117.1097 58.8314 28.6675 177.6016 31 I 3.6628 8.1075 121.1847 64.5371 36.9706 178.5604 32 I 3.2282 7.1582 120.5113 63.9384 36.6577 178.6005 33 G 3.6239 8.2218 106.9463 47.7869 0.0000 175.2738 34 F 4.4947 8.5957 124.6353 60.3396 39.3448 176.9236 35 A 3.0653 7.6436 120.2181 54.8710 17.9269 179.6268 36 F 4.0804 8.0394 116.2425 60.5590 38.8955 177.3386 37 E 3.9907 8.4669 119.3148 59.6425 29.3483 178.3245 38 Y 3.8733 7.8474 119.7271 60.5205 38.7223 177.9558 39 F 4.3522 7.9622 118.8489 60.6670 38.8078 177.5826 40 A 4.2730 7.9554 120.3412 54.6005 18.0079 178.6416 41 N 4.7188 8.3000 112.6870 53.6750 39.8792 174.5333 42 S 4.3418 7.4972 111.0380 59.6019 64.9386 174.6066 43 Q 3.6784 7.8447 121.7761 58.2596 29.2018 177.5875 44 F 4.9994 8.1202 117.1295 57.1195 39.9766 177.1007 45 H 4.7604 8.5562 123.5109 58.5902 29.6635 175.1604 46 D 4.4665 8.0836 119.3562 55.3367 39.5810 177.3543 47 S 4.4912 7.6849 116.2615 58.4925 62.8393 175.8184 48 S 4.1685 7.6076 118.0819 61.2584 62.7167 175.8429 49 D 4.4204 7.9203 121.2167 56.4488 40.9095 176.1027 50 H 5.1474 8.3724 115.0561 55.1300 31.3498 174.0710 51 V 5.0063 7.6283 116.9082 59.8741 34.3895 175.1134 52 S 4.8181 8.8443 118.3263 56.7678 66.7986 172.9816 53 F 5.0565 9.0349 122.0289 55.9587 40.6720 174.8391 54 I 4.7036 9.1721 126.7087 59.5010 38.7055 176.4204 55 S 4.6872 9.1081 121.8587 57.7479 63.8134 173.2966 56 P 4.4453 0.0000 0.0000 66.1578 30.9952 178.6582 57 E 4.0586 8.3104 116.4835 59.6739 29.4394 179.5783 58 V 3.7835 7.8885 117.6765 66.2033 31.5564 178.1216 59 T 4.0319 8.3351 115.7004 66.8273 68.3437 176.3370 60 Q 4.0031 8.5196 121.5542 59.0109 28.6170 177.8241 61 F 4.0808 8.4861 121.8309 61.3797 39.1238 177.2015 62 I 3.3944 7.8711 118.1753 64.1762 37.0343 177.8003 63 K 3.9635 7.9165 119.0438 59.4716 32.1219 177.6509 64 C 4.4512 7.6580 113.1558 58.9020 28.7935 173.4653 65 T 4.2939 6.6200 118.2834 61.8914 69.1892 175.0229 66 S 4.1772 8.4617 121.2101 60.4073 64.1954 174.5912 67 N 4.4761 7.9060 120.3782 52.3634 39.4853 173.6397 68 P 4.2664 0.0000 0.0000 65.6612 31.5019 178.3145 69 A 4.0101 8.2916 120.9249 54.9906 18.2403 179.2271 70 E 3.9469 8.2645 117.3548 59.3809 29.8458 178.8274 71 I 3.8414 7.6598 119.3575 64.3796 36.9685 178.1882 72 A 3.0757 7.6993 119.9410 55.2246 18.4225 179.2544 73 M 4.1917 8.2649 117.2926 58.5652 31.8483 178.7871 74 F 4.0537 8.2317 119.4698 61.2342 39.9645 176.6283 75 L 4.1411 8.1737 116.9256 55.6561 41.5856 178.3311 76 E 4.0560 7.6971 120.8409 59.2417 29.3175 177.1058 77 P 4.3463 0.0000 0.0000 65.0455 31.4297 178.0249 78 L 4.1093 7.9620 116.8359 54.9206 42.3875 176.0236 79 D 4.4203 8.2750 118.3369 54.8849 40.4227 175.0762 80 L 4.0841 8.0145 119.7840 57.4964 42.2070 178.4005 81 P 4.1635 0.0000 0.0000 64.9282 31.2841 176.5822 82 N 4.7934 7.7403 113.8609 52.7465 38.7203 174.6904 83 K 4.4747 7.7011 118.8073 55.2532 33.6548 176.9066 84 R 4.0796 8.7240 123.9267 58.8146 31.3980 176.1945 85 V 4.8196 8.2354 118.2343 60.8811 35.1062 174.4686 86 V 4.8387 8.4310 126.3606 61.1262 34.9772 173.8431 87 F 5.5051 9.0906 126.2722 55.8427 41.5909 174.6446 88 L 5.4825 9.5311 122.5226 53.0868 45.8956 175.6524 89 A 5.0704 8.6281 125.8351 50.9658 19.2454 176.7315 90 I 4.3362 9.3629 123.9432 61.7997 38.5630 175.1975 91 N 5.4547 9.0811 124.2817 50.8507 41.6987 173.5789 92 D 4.0758 8.3046 121.2058 53.1718 40.4023 176.2907 93 N 4.1979 8.3384 119.1735 53.8679 39.4065 174.6400 94 S 4.4240 8.2842 119.0382 57.9336 63.7633 173.1854 95 N 4.7892 8.5141 117.1917 52.9806 37.2964 175.5173 96 Q 4.2098 7.9548 118.4745 57.7219 29.6565 175.0122 97 A 4.6134 7.4045 117.4385 50.2101 22.4482 175.0416 98 A 4.3112 8.4853 122.2948 51.4899 19.8484 179.4581 99 G 4.0545 8.7199 108.0516 47.6633 0.0000 173.0846 100 G 3.9878 8.8610 112.8028 45.0248 0.0000 173.0933 101 S 4.7009 9.4511 113.7775 57.5164 64.6069 173.6444 102 H 4.4865 7.6189 120.7175 54.7429 33.0029 171.8894 103 W 5.3505 8.3271 125.2568 55.5807 31.4806 175.0957 104 S 4.8582 9.4234 116.8902 57.5341 67.0689 171.9835 105 L 5.4638 9.1802 121.6307 53.2892 44.5365 174.5276 106 L 5.4761 9.3458 128.2889 53.4047 44.9666 174.9383 107 V 4.8936 9.1809 125.6768 61.3069 34.1668 173.2265 108 Y 4.8442 9.1342 129.2655 55.6331 41.3909 173.8408 109 L 4.6121 7.7478 128.1052 52.9548 44.4421 177.0792 110 Q 3.6488 8.8231 128.5508 58.7611 29.4854 177.6435 111 D 4.3326 7.9859 117.3703 56.6809 40.7917 177.4725 112 K 4.4116 7.3724 114.1937 55.5932 33.5286 175.3883 113 N 4.0429 7.6689 114.3414 54.4298 37.8104 173.4407 114 S 4.9315 7.4309 112.3040 56.7387 68.0691 174.5610 115 F 5.2440 8.8185 120.2999 55.7313 42.2828 174.4981 116 F 4.8103 9.5364 121.1040 55.8555 42.5835 173.2286 117 H 5.3360 9.1276 124.3105 54.7718 31.9098 172.6998 118 Y 4.7517 9.5998 124.4217 56.3717 39.9826 174.2945 119 D 5.2713 8.5127 124.2288 52.2508 43.2389 175.8807 120 S 4.7512 9.0317 119.6018 59.5469 63.5288 172.8003 121 H 4.7787 8.5422 122.1427 53.5646 29.5730 171.6356 122 S 4.0350 8.4642 118.7547 59.5268 62.4545 174.6852 123 R 4.5050 8.9524 123.6181 56.2172 28.1089 177.7572 124 S 3.9454 8.4032 113.8801 61.3433 62.4267 175.3723 125 N 4.9903 9.0829 115.8947 53.3549 38.5201 176.8865 126 S 4.2311 7.9160 120.1301 61.8825 62.9902 176.8748 127 V 3.4457 7.6369 120.2238 66.2490 31.2976 177.7411 128 H 4.1726 7.9472 115.2073 58.7572 28.6158 177.4705 129 A 4.0852 8.4078 123.0750 55.1248 18.1348 179.6552 130 K 3.0466 8.0513 118.3022 59.0381 32.2163 178.9370 131 Q 3.7814 7.7578 119.7841 59.0179 28.9163 178.3980 132 V 3.5306 7.7492 119.0142 65.8489 31.5207 177.5653 133 A 3.1768 8.0166 120.7220 55.1644 18.0809 179.3884 134 E 3.7551 8.1242 117.1326 59.5708 28.9878 179.9227 135 K 3.9914 7.8316 118.0075 59.1571 32.1201 179.2486 136 L 4.1255 8.2615 121.1409 58.2280 41.9445 178.6828 137 E 4.2161 8.6639 119.4732 59.2118 29.3319 178.5668 138 A 4.0374 7.8844 120.2781 54.8487 18.4377 179.1294 139 F 4.5562 7.7174 117.5662 61.4545 39.7865 177.3549 140 L 4.0271 8.3786 117.2636 55.8836 41.8026 177.5734 141 G 4.1159 8.0134 107.0470 44.3863 0.0000 172.5425 142 R 4.6413 8.9881 120.2535 54.0184 32.7890 176.8601 143 K 4.0677 8.5174 121.5234 56.7508 31.8263 178.1902 144 G 4.1009 8.9701 112.1360 44.3140 0.0000 173.4448 145 D 4.4764 7.8865 122.5817 54.6030 41.4005 177.0604 146 K 4.3656 8.3197 124.7403 53.2848 32.9500 174.2151 147 L 4.1438 8.4080 121.9236 55.2925 42.4884 175.9738 148 A 4.7473 8.8279 128.2294 50.3517 20.9317 174.9913 149 F 5.0332 8.7329 124.0826 56.9321 42.5660 173.9014 150 V 4.2887 7.8769 126.0201 60.9397 34.2576 174.0909 151 E 4.5255 8.7352 127.7321 55.5713 29.7802 176.1810 152 E 4.0744 8.4873 125.3715 55.2851 30.5664 177.2059 153 K 3.9022 8.6081 124.1256 56.5932 32.1014 175.8353 154 A 4.9861 8.1075 128.4255 49.0627 22.2791 173.6120 155 P 4.2169 0.0000 0.0000 63.1563 31.8913 175.5085 156 A 4.8099 8.2796 125.6879 50.0471 20.4738 176.8083 157 Q 3.9523 8.0172 121.9469 56.3821 29.1953 176.2322 158 Q 4.5534 8.5277 118.2625 55.3992 29.3303 174.3652 159 N 4.8920 7.4260 114.9870 51.8442 39.9581 174.1111 160 S 4.4251 8.5933 111.7221 59.5014 63.5853 174.1027 161 Y 4.5597 7.4552 116.8374 56.9233 39.4648 176.3055 162 D 4.7845 8.1059 120.5888 54.5806 41.0286 177.3544 163 C 4.2736 7.5916 118.5583 60.9455 29.4100 176.1257 164 G 3.4892 8.2793 107.7047 47.6833 0.0000 175.3543 165 M 4.0473 8.0040 120.2708 58.1090 31.9599 178.2737 166 Y 3.9678 8.1256 117.3008 60.7148 38.0336 178.5178 167 V 3.7182 7.8938 119.1914 66.1469 31.7123 178.1893 168 I 3.8551 7.4954 119.0068 64.8268 36.8952 178.3939 169 C 4.4292 8.5660 117.9542 62.7692 27.8480 175.8680 170 N 4.2427 8.6587 118.6646 56.5519 38.0527 177.4640 171 T 3.3760 7.8448 116.9473 66.3756 68.4966 176.2762 172 E 3.3136 8.0917 120.7781 59.1691 29.7709 178.7941 173 A 3.9389 8.0933 120.9281 54.9530 18.3785 179.6631 174 L 3.2888 7.8131 117.9117 57.7981 41.5147 179.4266 175 C 3.8370 7.5758 116.7202 62.5458 27.8414 176.0957 176 Q 4.1130 7.9623 119.6643 59.2105 28.1277 178.8135 177 N 4.5812 7.5735 117.2494 55.8443 38.6144 177.2815 178 F 4.3541 7.9584 118.4615 59.5709 39.0477 176.8920 179 F 5.1581 8.1742 113.9207 57.1368 39.9747 176.0790 180 R 4.6784 7.7057 116.5647 55.1178 31.3336 175.5648 181 Q 4.1227 8.2426 114.4634 56.9998 26.1756 173.9272 182 Q 4.3766 7.3959 115.8976 55.7353 30.2606 175.8582 183 T 4.7907 7.9105 106.9118 60.5624 68.5547 174.1523 184 E 4.1197 8.8330 121.4298 56.4408 31.0411 177.7408 185 S 4.3457 8.4905 118.1835 57.6377 63.5477 174.7927 186 L 3.9500 8.4919 129.6960 57.9420 41.3208 179.4379 187 L 4.0398 7.8385 117.5437 57.5415 41.6445 178.7172 188 Q 4.1068 7.6050 119.1273 58.5180 29.1344 177.2816 189 L 4.0175 7.5415 120.2933 56.7255 43.6037 177.5193 190 L 3.9964 7.4150 120.2715 53.5776 40.2376 176.6550 191 T 4.5081 7.3881 113.4015 59.7963 72.1987 173.9125 192 P 4.3510 0.0000 0.0000 66.0131 31.3341 178.8686 193 A 4.1054 8.0820 118.8393 55.1378 18.3162 178.9535 194 Y 3.9650 7.9533 117.9049 60.7658 39.0162 177.8756 195 I 3.6443 7.9431 120.8258 64.7042 37.1451 178.5059 196 T 3.9150 7.9346 116.4771 66.5455 68.2417 176.5369 197 K 3.9755 8.1376 121.5066 59.5692 32.1315 179.0094 198 K 3.9278 7.9931 118.4884 59.0467 31.8476 179.6137 199 R 4.1192 7.8784 118.5403 59.2876 30.0353 179.2831 200 G 3.6033 7.7653 104.0836 47.7575 0.0000 175.6771 201 E 3.8869 8.3775 121.1100 58.8420 29.3949 179.4505 202 W 3.8941 8.5009 119.3688 59.6288 29.1671 178.4801 203 K 3.8805 8.1337 118.4036 59.7407 31.4287 179.0034 204 D 4.2833 8.0856 118.8189 57.2457 40.6577 178.5619 205 L 3.7388 7.8688 120.8314 58.1699 42.0082 179.0832 206 I 3.4096 7.8428 119.4990 64.1844 36.7636 178.2616 207 A 3.9323 7.7142 120.4163 55.3681 18.6216 179.5390 208 T 3.9224 8.0435 114.3872 66.9209 68.3625 177.0024 209 L 4.0513 7.9467 119.4189 57.6647 41.6556 179.2255 210 A 4.1239 7.9287 119.9744 53.7095 18.4505 177.8314 211 K 4.1275 7.3856 118.4680 55.9770 33.5703 177.8328 *212 K 4.1215 8.3356 120.1449 55.0817 32.3269 174.0897 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 1 M 8.30 4.51 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 2 D 8.14 4.62 0.00 2.62 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 3 P 0.00 4.54 0.00 2.10 1.93 0.00 3.63 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 4 V 8.30 3.88 2.07 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 0.72 0.00 0.00 0.92 0.00 0.00 5 V 8.93 4.18 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 0.70 0.00 0.00 0.90 0.00 0.00 6 L 7.54 4.69 0.00 1.60 1.21 0.97 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.85 5.14 0.00 3.91 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.99 4.65 0.00 3.08 3.06 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 9 M 7.94 3.26 0.00 2.07 1.16 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.27 0.00 10 D 9.49 4.65 0.00 2.85 2.77 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 0.00 0.00 0.00 0.00 11 S 8.54 4.80 0.00 4.21 3.98 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 0.00 0.00 0.00 12 L 8.29 5.16 0.00 1.58 1.46 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 13 L 9.15 4.82 0.00 1.38 1.39 0.27 0.75 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 14 R 9.24 4.76 0.00 1.77 2.03 0.00 3.14 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 15 Q 8.80 3.93 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 16 S 8.44 4.15 0.00 4.06 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 17 D 7.98 4.48 0.00 2.81 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 7.70 3.58 2.03 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 0.97 0.00 0.00 0.86 0.00 0.00 19 S 8.25 4.19 0.00 4.07 3.89 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 20 L 7.60 4.22 0.00 1.79 1.95 1.07 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 21 L 7.71 4.33 0.00 1.82 1.75 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 22 D 7.83 4.60 0.00 2.81 2.58 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 23 P 0.00 4.54 0.00 2.14 2.24 0.00 3.76 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.03 0.00 24 P 0.00 3.03 0.00 1.72 1.52 0.00 3.62 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.83 0.00 25 S 7.41 4.30 0.00 4.22 3.89 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 26 W 8.53 4.97 0.00 3.33 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 27 L 8.70 4.24 0.00 1.59 1.51 0.75 1.06 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 28 N 8.40 5.31 0.00 3.03 3.11 0.00 0.00 5.90 8.07 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 29 D 8.75 4.33 0.00 3.07 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 30 H 8.22 4.26 0.00 3.41 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.11 3.66 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.82 0.73 0.00 0.00 32 I 7.16 3.23 1.07 0.00 0.00 -1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 -0.10 -0.10 0.00 0.00 33 G 8.22 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.60 4.49 0.00 3.15 3.20 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 0.00 35 A 7.64 3.07 0.24 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 0.00 0.00 0.00 0.00 0.00 0.00 36 F 8.04 4.08 0.00 3.13 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 37 E 8.47 3.99 0.00 2.35 2.23 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 2.72 2.54 0.00 38 Y 7.85 3.87 0.00 2.08 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.96 4.35 0.00 1.97 2.26 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 0.00 40 A 7.96 4.27 1.56 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 0.00 0.00 41 N 8.30 4.72 0.00 2.86 2.77 0.00 0.00 6.75 8.09 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 42 S 7.50 4.34 0.00 3.62 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 43 Q 7.84 3.68 0.00 1.65 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.19 0.00 0.00 0.00 0.00 0.00 1.17 1.94 0.00 44 F 8.12 5.00 0.00 3.31 2.96 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 45 H 8.56 4.76 0.00 3.23 3.28 0.00 5.91 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 8.08 4.47 0.00 2.87 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 47 S 7.68 4.49 0.00 3.76 3.06 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 48 S 7.61 4.17 0.00 4.02 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 49 D 7.92 4.42 0.00 2.32 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.37 5.15 0.00 2.99 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.63 5.01 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 0.50 0.00 0.00 0.69 0.00 0.00 52 S 8.84 4.82 0.00 3.79 3.82 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 53 F 9.03 5.06 0.00 2.92 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 54 I 9.17 4.70 2.17 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.38 1.15 0.00 0.00 55 S 9.11 4.69 0.00 4.28 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 0.00 56 P 0.00 4.45 0.00 2.30 2.52 0.00 3.56 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.82 0.00 57 E 8.31 4.06 0.00 2.16 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 0.00 2.48 2.53 0.00 58 V 7.89 3.78 2.31 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 1.45 0.00 0.00 1.16 0.00 0.00 59 T 8.34 4.03 4.68 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 1.46 0.00 0.00 60 Q 8.52 4.00 0.00 2.32 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 61 F 8.49 4.08 0.00 3.03 3.16 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 62 I 7.87 3.39 2.11 0.00 0.00 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 1.54 1.11 0.91 0.00 0.00 63 K 7.92 3.96 0.00 1.89 1.96 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.21 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.54 1.50 7.81 64 C 7.66 4.45 0.00 2.99 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 65 T 6.62 4.29 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 66 S 8.46 4.18 0.00 3.92 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 67 N 7.91 4.48 0.00 2.76 2.86 0.00 0.00 6.99 7.71 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 68 P 0.00 4.27 0.00 2.33 2.29 0.00 3.74 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 69 A 8.29 4.01 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 70 E 8.26 3.95 0.00 2.09 2.16 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 2.62 2.54 0.00 71 I 7.66 3.84 1.90 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 1.06 0.47 0.74 0.00 0.00 72 A 7.70 3.08 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 0.00 0.00 73 M 8.26 4.19 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 74 F 8.23 4.05 0.00 3.07 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.17 4.14 0.00 1.50 1.75 0.85 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 76 E 7.70 4.06 0.00 2.25 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 0.00 2.31 2.25 0.00 77 P 0.00 4.35 0.00 1.95 2.04 0.00 3.61 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.10 0.00 78 L 7.96 4.11 0.00 1.79 1.79 1.02 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 79 D 8.28 4.42 0.00 2.88 2.65 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 0.00 0.00 0.00 0.00 80 L 8.01 4.08 0.00 1.99 1.81 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 81 P 0.00 4.16 0.00 1.93 1.92 0.00 3.56 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.48 0.00 82 N 7.74 4.79 0.00 2.88 2.84 0.00 0.00 6.96 7.58 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 83 K 7.70 4.47 0.00 1.92 1.76 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.65 1.54 7.81 84 R 8.72 4.08 0.00 1.90 2.13 0.00 3.04 0.00 0.00 3.21 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 85 V 8.24 4.82 2.20 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 0.40 0.00 0.00 0.74 0.00 0.00 86 V 8.43 4.84 2.19 0.00 0.00 0.00 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 1.01 0.00 0.00 87 F 9.09 5.51 0.00 2.68 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 L 9.53 5.48 0.00 1.86 1.78 1.23 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 89 A 8.63 5.07 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 90 I 9.36 4.34 2.11 0.00 0.00 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 1.38 1.19 1.06 0.00 0.00 91 N 9.08 5.45 0.00 2.36 2.48 0.00 0.00 7.32 8.47 0.00 0.00 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 D 8.30 4.08 0.00 2.49 2.81 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 0.00 0.00 0.00 93 N 8.34 4.20 0.00 2.69 2.68 0.00 0.00 7.08 7.32 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 94 S 8.28 4.42 0.00 3.86 3.77 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 0.00 0.00 0.00 0.00 95 N 8.51 4.79 0.00 2.85 2.87 0.00 0.00 5.90 7.39 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 96 Q 7.95 4.21 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 97 A 7.40 4.61 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.49 4.31 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 99 G 8.72 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 0.00 0.00 0.00 100 G 8.86 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 0.00 101 S 9.45 4.70 0.00 3.97 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 0.00 102 H 7.62 4.49 0.00 3.12 3.19 0.00 5.84 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 0.00 103 W 8.33 5.35 0.00 3.10 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 0.00 104 S 9.42 4.86 0.00 4.20 4.15 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 0.00 105 L 9.18 5.46 0.00 2.02 1.94 1.47 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 106 L 9.35 5.48 0.00 2.07 1.78 1.24 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 107 V 9.18 4.89 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.25 0.00 0.00 108 Y 9.13 4.84 0.00 2.77 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 0.00 109 L 7.75 4.61 0.00 1.46 1.36 0.45 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 8.82 3.65 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.18 6.50 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 111 D 7.99 4.33 0.00 2.52 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.37 4.41 0.00 1.77 1.76 0.00 1.72 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.26 1.35 7.81 113 N 7.67 4.04 0.00 2.84 2.87 0.00 0.00 6.92 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.43 4.93 0.00 3.60 3.23 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 0.00 115 F 8.82 5.24 0.00 3.01 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 0.00 116 F 9.54 4.81 0.00 3.06 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 0.00 117 H 9.13 5.34 0.00 2.84 3.07 0.00 5.56 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 9.60 4.75 0.00 2.98 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 0.00 119 D 8.51 5.27 0.00 2.47 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.03 4.75 0.00 3.22 3.66 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 0.00 121 H 8.54 4.78 0.00 3.10 3.07 0.00 5.63 0.00 0.00 0.00 0.00 6.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 8.46 4.03 0.00 3.86 3.82 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 0.00 123 R 8.95 4.50 0.00 2.08 2.04 0.00 3.48 0.00 0.00 3.25 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 124 S 8.40 3.95 0.00 3.65 3.81 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 0.00 0.00 0.00 125 N 9.08 4.99 0.00 3.19 2.96 0.00 0.00 7.07 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.92 4.23 0.00 3.86 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 0.00 127 V 7.64 3.45 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 0.90 0.00 0.00 0.84 0.00 0.00 128 H 7.95 4.17 0.00 3.37 3.33 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.41 4.09 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.05 3.05 0.00 1.18 1.42 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.00 0.54 7.81 131 Q 7.76 3.78 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 132 V 7.75 3.53 2.15 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 1.15 0.00 0.00 1.01 0.00 0.00 133 A 8.02 3.18 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.12 3.76 0.00 2.01 1.92 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 2.19 2.32 0.00 135 K 7.83 3.99 0.00 1.91 1.80 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.82 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.53 7.81 136 L 8.26 4.13 0.00 2.02 1.91 1.10 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 137 E 8.66 4.22 0.00 2.38 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 0.00 2.43 2.46 0.00 138 A 7.88 4.04 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 F 7.72 4.56 0.00 2.97 3.36 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 0.00 140 L 8.38 4.03 0.00 1.49 1.47 0.34 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.01 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.99 4.64 0.00 1.80 1.80 0.00 3.31 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 143 K 8.52 4.07 0.00 1.77 1.64 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.03 7.81 144 G 8.97 4.10 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 0.00 0.00 0.00 145 D 7.89 4.48 0.00 2.81 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 0.00 146 K 8.32 4.37 0.00 1.77 1.58 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.33 0.99 7.81 147 L 8.41 4.14 0.00 1.57 1.61 0.82 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 148 A 8.83 4.75 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 0.00 149 F 8.73 5.03 0.00 2.94 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 0.00 150 V 7.88 4.29 1.86 0.00 0.00 0.00 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 0.79 0.00 0.00 151 E 8.74 4.53 0.00 1.89 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 2.42 2.38 0.00 152 E 8.49 4.07 0.00 1.16 1.26 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 2.14 1.61 0.00 153 K 8.61 3.90 0.00 1.95 1.74 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.42 1.01 7.81 154 A 8.11 4.99 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 0.00 155 P 0.00 4.22 0.00 2.53 2.41 0.00 3.79 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.34 0.00 156 A 8.28 4.81 1.16 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 0.00 157 Q 8.02 3.95 0.00 2.05 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.14 0.00 0.00 0.00 0.00 0.00 2.37 2.24 0.00 158 Q 8.53 4.55 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 159 N 7.43 4.89 0.00 2.54 2.65 0.00 0.00 6.20 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 S 8.59 4.43 0.00 4.19 4.15 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 0.00 161 Y 7.46 4.56 0.00 3.39 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.11 4.78 0.00 2.83 2.91 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 0.00 0.00 0.00 163 C 7.59 4.27 0.00 3.21 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 G 8.28 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 M 8.00 4.05 0.00 1.92 2.20 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.55 0.00 166 Y 8.13 3.97 0.00 3.26 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 0.00 167 V 7.89 3.72 2.15 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 1.10 0.00 0.00 1.16 0.00 0.00 168 I 7.50 3.86 1.64 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.51 0.00 0.00 169 C 8.57 4.43 0.00 3.03 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.66 4.24 0.00 2.81 2.65 0.00 0.00 6.97 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 T 7.84 3.38 4.54 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 0.40 0.00 0.00 172 E 8.09 3.31 0.00 2.22 2.32 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 2.53 2.47 0.00 173 A 8.09 3.94 1.28 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 0.00 0.00 174 L 7.81 3.29 0.00 1.35 0.67 0.55 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 175 C 7.58 3.84 0.00 2.20 1.28 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 0.00 176 Q 7.96 4.11 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 177 N 7.57 4.58 0.00 2.53 2.85 0.00 0.00 7.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 F 7.96 4.35 0.00 1.51 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 0.00 0.00 0.00 179 F 8.17 5.16 0.00 3.16 3.12 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 0.00 0.00 0.00 0.00 180 R 7.71 4.68 0.00 2.15 1.96 0.00 3.55 0.00 0.00 3.32 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.17 0.00 181 Q 8.24 4.12 0.00 2.47 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.40 7.03 0.00 0.00 0.00 0.00 0.00 2.27 1.93 0.00 182 Q 7.40 4.38 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.95 0.00 0.00 0.00 0.00 0.00 2.63 2.46 0.00 183 T 7.91 4.79 4.23 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 1.20 0.00 0.00 184 E 8.83 4.12 0.00 1.89 1.86 0.00 0.00 0.00 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 2.21 0.00 185 S 8.49 4.35 0.00 3.87 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 0.00 186 L 8.49 3.95 0.00 1.77 1.73 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 187 L 7.84 4.04 0.00 1.62 1.75 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 188 Q 7.61 4.11 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.96 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 189 L 7.54 4.02 0.00 1.58 1.50 0.79 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 190 L 7.42 4.00 0.00 1.75 1.65 1.02 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 191 T 7.39 4.51 4.31 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 1.26 0.00 0.00 192 P 0.00 4.35 0.00 2.25 2.23 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.26 0.00 193 A 8.08 4.11 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 Y 7.95 3.97 0.00 3.16 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 0.00 195 I 7.94 3.64 1.94 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 -0.27 0.77 0.00 0.00 196 T 7.93 3.91 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 197 K 8.14 3.98 0.00 1.88 1.82 0.00 1.60 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.41 7.81 198 K 7.99 3.93 0.00 1.94 1.97 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.66 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.78 1.19 7.81 199 R 7.88 4.12 0.00 2.13 2.20 0.00 3.24 0.00 0.00 3.46 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.87 0.00 200 G 7.77 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 8.38 3.89 0.00 1.84 1.75 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 2.21 2.44 0.00 202 W 8.50 3.89 0.00 3.43 3.27 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 0.00 203 K 8.13 3.88 0.00 1.98 1.85 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.45 1.51 7.81 204 D 8.09 4.28 0.00 2.78 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 205 L 7.87 3.74 0.00 1.31 1.50 0.58 -0.34 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 0.00 206 I 7.84 3.41 1.87 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.52 0.67 0.00 0.00 207 A 7.71 3.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 208 T 8.04 3.92 4.30 0.00 0.00 0.00 0.00 0.00 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 0.00 209 L 7.95 4.05 0.00 1.54 1.78 0.83 1.08 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 0.00 210 A 7.93 4.12 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 0.00 211 K 7.39 4.13 0.00 2.18 1.76 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.45 1.25 7.81 *212 K 8.34 4.12 0.00 1.52 1.62 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.50 7.81 * Residues marked with a * may have inaccurate shift predictions.