NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1668 8.1227 123.5808 52.1706 20.7395 178.2109 *2 S 4.3689 7.9723 108.9850 57.9611 64.0313 174.3733 3 K 4.1235 7.7487 120.2297 58.2995 32.2501 177.3150 4 I 3.9402 7.6387 119.8568 61.6196 37.5892 175.0161 5 T 4.5798 9.3307 114.0929 59.9207 71.9861 174.3770 6 F 3.9559 8.7680 118.3416 60.4752 39.0529 177.7711 7 K 3.9022 7.6410 118.3360 59.6996 31.8643 177.3740 8 D 4.6613 8.6212 116.1178 54.6212 40.8137 175.7825 9 I 4.5089 7.5516 121.4738 59.1183 38.6337 174.8590 10 Y 4.2639 8.9603 126.6618 58.4515 38.8581 175.5173 11 I 3.8443 7.9558 127.9890 59.5592 38.1081 174.9514 12 D 3.8168 8.3706 125.7259 55.8721 40.4572 174.6826 13 G 4.3858 7.6562 112.6711 43.4428 0.0000 170.6294 14 N 4.8731 8.3490 118.1383 50.9601 40.3869 174.4136 15 K 3.5476 8.3620 124.5841 55.6257 32.4234 176.2417 16 I 3.9406 8.3588 128.4942 63.5767 37.8364 175.9674 17 T 4.5034 6.9823 111.9014 61.1010 70.1191 171.7359 18 E 4.9737 8.1824 123.6070 54.9532 33.5431 174.4469 19 D 5.0354 8.2211 122.7939 51.4803 42.3488 175.2597 20 S 4.2729 8.6589 112.2544 61.8430 63.3818 175.5769 21 R 4.6804 8.3982 119.8756 58.2300 31.2133 176.5541 22 K 4.9586 9.1293 116.2830 55.9780 36.4989 174.5702 23 A 5.0333 8.9132 122.1584 50.0837 22.7694 175.0643 24 I 4.4902 8.2983 121.6494 59.5914 40.2301 174.2007 25 Y 5.5659 8.9119 124.7244 55.4624 40.4984 174.9785 26 L 5.1087 8.4667 122.4242 53.1840 46.0837 176.3954 27 L 4.5945 9.4353 124.7291 52.4714 42.2844 174.8964 28 P 4.1931 0.0000 0.0000 64.6146 31.7286 176.0419 29 P 4.5371 0.0000 0.0000 63.5466 31.7726 176.8883 30 Q 4.5042 8.1200 118.2511 54.1044 29.4790 173.6737 31 P 4.4649 0.0000 0.0000 63.6707 32.2859 177.7399 32 L 4.3866 7.5467 117.8906 54.8531 42.3105 177.0107 33 K 4.1410 7.7002 121.8753 54.7105 30.8120 176.0993 34 Y 4.1672 7.9743 122.3966 60.8746 38.1968 179.5033 35 A 4.0240 8.1041 120.8059 54.7189 18.6507 178.0262 36 S 4.7861 8.0421 109.3766 58.0035 63.0962 174.7459 37 N 5.2913 7.6920 118.5841 51.1151 39.3471 172.9872 38 T 4.4989 8.8786 117.0462 61.1155 72.3373 171.1536 39 W 5.3216 8.5521 122.8206 54.8338 32.3425 175.0966 40 I 4.6640 8.8448 125.5248 59.6985 38.6485 174.8150 41 Y 4.6874 9.1290 126.1860 58.2331 37.9899 175.8954 42 K 4.6026 9.4729 122.7089 56.8867 34.3032 177.5821 43 T 4.5129 7.9568 106.1475 61.0156 68.2402 174.8403 *45 P 4.4650 0.0000 0.0000 62.2409 33.2683 178.2949 46 T 4.3864 7.6340 112.7301 61.5012 68.3786 175.8616 *48 N 4.6375 9.0024 115.4083 53.2449 40.4349 176.0547 49 Q 4.0155 8.8686 119.1175 58.8422 29.0423 177.9623 50 W 4.1719 8.6187 129.8492 60.5601 30.3678 177.9873 51 L 3.4501 7.9335 118.3535 57.5192 40.9204 179.5424 52 K 3.7723 7.7270 118.3036 59.3951 31.9227 179.1460 53 D 4.4595 7.7981 119.1982 56.9166 40.6606 178.4477 54 I 3.5613 7.0391 120.5788 64.6867 37.1261 177.8452 55 E 3.8675 7.4310 118.4931 59.5247 29.0755 179.8516 56 V 3.6261 7.0224 115.4484 66.1542 31.7821 177.6983 57 Q 4.0624 7.8325 118.0230 58.5202 29.0000 177.6805 58 K 4.0254 8.0575 121.2711 59.2961 32.2801 180.6341 59 K 4.1558 7.8686 116.8083 57.0782 32.0053 178.7131 *61 H 4.7078 8.1688 118.1711 55.9805 30.8016 175.9273 62 L 4.1453 8.0171 119.0650 57.7472 41.6955 179.2401 63 N 4.3093 8.2794 115.8138 55.8215 38.4997 175.7344 64 Q 4.3611 7.8526 112.9762 55.5724 28.8829 175.3890 65 S 3.4799 7.8044 112.5104 59.9225 60.5789 170.9051 66 S 4.3709 7.8833 115.9647 58.0045 63.8519 173.7761 67 Y 5.1297 8.3502 119.9887 57.8681 39.7548 174.2372 68 H 5.5038 7.9899 113.9126 52.6805 32.3944 172.2374 69 L 4.8770 8.8909 117.3336 53.2811 46.3733 176.0847 70 S 5.0725 8.9270 116.8568 57.2625 66.2524 172.8427 71 F 5.3246 9.4325 124.8096 56.0035 43.7189 173.5393 72 S 5.3224 9.0795 118.3332 56.9797 65.2015 173.7803 73 F 5.1235 9.1431 123.7188 55.6353 40.5166 174.0236 74 P 4.4661 0.0000 0.0000 62.7080 32.3096 175.3582 75 A 3.7504 8.5534 124.4064 53.7879 18.5179 176.6977 76 N 3.1400 8.3305 119.9578 53.5710 36.8592 173.8560 77 E 4.7642 7.6901 115.9465 54.3734 31.7397 175.6075 78 K 4.4364 8.5278 123.7703 55.2061 33.1772 176.3075 79 I 3.6301 7.6582 127.5014 60.5744 37.9203 176.2698 80 D 4.3562 8.2342 124.7533 54.1339 42.7212 177.1712 81 E 3.8174 8.6731 123.3696 59.4185 29.6776 179.8007 82 V 3.5244 7.5374 118.5377 64.8335 31.5731 177.9865 83 L 3.8117 7.6679 120.8765 57.3385 41.8077 178.5602 84 L 3.6694 7.5737 118.9604 57.7638 41.5055 179.1531 85 E 3.8921 7.8599 118.0887 59.5349 29.4736 179.3560 86 K 3.8776 7.8060 118.8214 59.7334 32.1434 178.8565 87 I 3.8247 7.5832 119.9897 64.4313 36.9851 178.6846 88 R 4.0395 8.2861 119.1992 58.9630 29.6834 178.3387 89 E 3.9920 8.7098 118.8776 59.4364 29.6824 178.2886 90 L 4.5399 7.9764 115.1918 54.3383 42.0900 176.7990 91 G 3.8281 8.6470 107.2842 46.4094 0.0000 173.8113 92 F 4.7415 8.3871 117.4800 56.2649 40.6052 176.3991 93 Q 4.3872 9.2890 122.2328 55.9818 29.9170 175.0265 94 I 4.9599 8.4790 123.5388 59.8258 39.6870 174.9803 95 G 4.2970 8.9582 111.8458 44.7904 0.0000 171.4189 96 V 4.8259 8.1162 118.5653 61.0196 34.7775 173.7948 97 L 5.2626 9.1737 128.7222 53.7017 43.5567 175.4662 98 E 5.3830 9.4616 123.1294 54.5394 33.0443 174.5142 99 L 4.6369 8.3148 125.6791 53.5121 44.1425 174.6918 100 Y 5.3697 8.7288 123.4465 56.4600 41.8047 175.0539 101 V 5.0783 8.7170 114.5851 60.4404 36.8872 173.8570 102 I 4.4472 8.4057 121.1137 60.3995 42.2544 172.6364 103 E 4.6466 8.6687 124.3301 55.9722 30.7906 177.9870 104 A 3.7978 8.1602 124.5703 54.9034 18.5969 179.9162 105 K 3.8661 7.9513 115.1469 59.6159 32.3347 179.0020 106 A 4.0829 8.1530 121.1023 54.9718 18.3594 179.4738 107 L 3.8846 7.7225 118.4280 58.0633 41.9980 179.1237 108 K 4.0792 7.7937 117.6419 59.0105 31.6817 178.7478 109 E 4.1384 8.0471 118.7025 58.7066 29.1669 178.7592 110 L 4.0485 8.0320 117.9382 57.0663 41.9689 177.2748 111 S 4.7263 7.4306 112.0812 57.6869 63.0077 173.7668 112 R 4.6156 8.4888 124.9628 56.2133 31.1270 175.5429 113 K 3.8403 8.4721 113.9284 57.4723 30.2653 175.7849 114 R 4.1889 8.2773 115.7175 56.0895 30.9471 178.0084 115 D 4.5936 8.2740 120.1907 53.2588 39.1843 174.0227 116 V 4.4048 7.6006 120.1739 61.5514 34.5614 172.0862 117 D 4.8934 8.9853 129.2051 53.0117 42.7366 174.8857 118 I 5.0369 8.4751 126.5291 59.7826 39.2673 175.0348 119 Q 4.7619 8.9435 124.7550 53.8149 32.8237 174.9795 120 L 4.6025 8.5140 121.8998 54.6721 42.7124 176.8471 121 V 4.2727 8.5887 123.7056 63.0030 32.4517 175.5967 122 S 4.7622 9.5799 121.1967 57.3461 65.7846 174.0417 123 S 4.2976 8.9180 114.5308 61.2638 62.4241 175.3116 124 N 4.7943 7.8813 114.6235 53.5082 38.9601 175.1614 125 N 5.0810 8.3719 113.9455 51.4185 39.2534 176.0004 126 I 3.4982 7.7863 120.5369 64.5427 37.9804 177.2261 127 N 4.5643 8.1534 116.3874 55.6292 38.5846 177.0644 128 D 4.3535 7.9664 120.5594 57.2305 41.0293 177.6705 129 Y 3.9305 8.0218 119.9798 60.8941 38.8912 177.9779 130 L 4.1150 8.5791 120.2605 58.4505 41.4851 179.2420 131 H 4.3589 7.8925 117.1072 59.1046 30.0725 177.2256 132 V 3.4589 7.5808 119.7957 65.7880 31.2546 177.2613 133 Y 3.7338 7.7154 119.4504 60.7417 38.4028 177.7917 134 D 4.5126 8.0256 118.3367 56.7885 40.9549 177.8899 135 A 4.2354 7.3171 119.6992 52.1950 19.5220 177.5786 136 F 4.1235 6.8127 115.5163 57.4345 39.6182 175.3587 137 A 4.1736 8.4947 125.3781 52.7405 19.1221 178.2244 138 R 4.5734 8.0051 119.1577 53.5430 30.0749 174.9040 139 P 4.0996 0.0000 0.0000 64.6804 31.8723 178.2489 140 F 4.7619 7.5590 115.0830 56.9097 39.4459 175.5993 141 G 4.0433 7.9800 107.8789 44.8288 0.0000 174.7326 142 D 4.3522 8.7469 117.5722 57.5781 40.5365 179.1071 143 S 4.1307 8.0646 111.6867 61.5105 62.5164 174.8075 144 Y 4.0233 8.2369 120.4354 60.8797 38.6946 177.4463 145 A 4.4848 8.2963 121.2421 55.4592 18.4764 181.1985 146 N 4.5635 8.5323 114.9183 53.2968 38.6632 177.6674 *148 V 3.9373 7.7929 121.0333 62.9907 33.6580 177.2418 149 K 3.7695 8.4466 119.5068 59.7338 31.8524 178.9999 150 Q 4.0904 8.3299 119.7246 59.4633 28.6629 177.9243 151 H 4.2913 8.1182 118.1594 59.0826 30.4462 176.7470 152 I 3.8170 8.0902 122.0962 64.6761 36.7823 177.8204 153 Y 4.3300 8.6243 118.9221 60.1493 38.6931 177.2380 154 S 4.5022 7.7232 113.9326 59.0168 63.7371 174.5145 155 S 4.5190 7.8158 113.7123 57.2445 64.7315 175.5216 156 Y 4.0335 7.9987 120.1946 60.1654 37.7432 177.4874 157 N 3.9728 5.9312 116.2302 54.2925 39.3670 174.3779 158 L 4.3023 6.7335 117.1284 57.1051 43.5761 176.8724 159 D 4.6525 8.0721 116.9265 53.0548 40.5421 175.3923 160 D 4.8372 8.3657 117.6860 54.2856 42.3538 175.8407 161 I 4.0612 7.3266 120.2943 61.1029 37.7876 175.1744 162 E 4.5833 9.1731 128.1983 55.1377 31.5500 174.9080 163 R 5.3122 8.4808 123.5150 54.4350 34.4128 174.3489 164 L 5.4519 8.8172 121.2932 52.9104 46.0639 175.9060 165 V 4.8584 8.9211 121.5292 59.9639 34.4447 174.3287 166 A 5.0869 8.8531 127.4386 50.9012 21.1161 175.4141 167 Y 5.1563 8.7932 117.5771 56.4366 42.3693 174.8606 168 V 4.5609 8.8724 121.1815 62.1598 35.7859 173.9605 169 N 3.9448 9.7838 121.3129 55.0260 36.6004 174.2402 170 H 4.1357 8.0797 111.2551 55.1086 25.9909 174.1092 171 Q 4.6563 7.9573 114.4251 54.2844 31.8471 172.8859 172 P 3.9312 0.0000 0.0000 63.0507 31.7516 176.3146 173 V 4.0090 8.4858 119.8428 61.1096 33.8225 175.2036 174 G 4.3976 7.4599 106.7978 45.1431 0.0000 171.9452 175 I 5.7105 8.6635 114.3947 59.2586 41.8546 173.9618 176 V 4.9938 8.3399 119.5081 61.2737 34.3451 171.6109 177 D 5.5677 9.8740 123.4444 52.9451 43.8251 175.3942 178 I 5.1500 9.2394 122.1109 59.7206 40.9497 174.7506 179 I 4.6502 8.2548 125.6854 59.6831 40.6021 174.8659 *181 T 4.3675 8.1641 118.9707 63.2853 69.5463 174.9976 182 D 4.5894 8.7582 122.7442 57.6806 41.1206 178.6361 183 K 4.1140 8.1231 118.8115 59.0039 32.4717 176.3986 184 T 4.9374 7.2108 106.3317 60.1368 72.2500 172.9017 185 I 4.7800 8.4927 122.7685 59.5479 40.6993 174.1779 186 E 5.1559 8.9217 126.4020 54.4690 32.1715 174.7966 187 I 4.6346 8.3840 128.3012 61.0584 38.0877 174.8661 188 D 4.6547 9.0601 125.2469 53.4267 45.2016 175.5105 189 G 4.0887 9.0710 110.1543 46.1532 0.0000 173.2269 190 F 4.7986 8.5395 122.3342 58.4040 39.7554 174.6329 191 G 3.8004 8.5262 112.0201 45.0381 0.0000 172.0152 192 V 4.7236 7.5407 114.4022 58.5639 35.5817 175.7718 193 L 3.8723 8.5605 124.2067 54.9160 42.6057 177.7027 194 E 3.8316 9.0192 123.7341 59.8874 29.3923 178.7551 195 E 4.1458 8.1568 112.8683 57.1056 29.0837 177.1602 196 F 4.6863 8.0792 115.6117 56.7615 41.0334 175.4266 197 Q 4.0470 7.9453 120.4209 56.8299 28.9622 175.6590 198 H 4.1936 8.4964 113.8823 57.0893 26.3262 175.3384 199 Q 4.5480 7.9717 113.4468 55.8911 28.7155 176.5594 200 G 4.0173 8.4809 107.1911 46.1470 0.0000 175.8601 201 I 3.7958 7.9425 120.8751 64.6517 37.1462 177.8169 202 G 4.2997 8.3406 105.6647 48.5835 0.0000 175.4946 203 S 4.2600 8.0272 116.5868 61.4024 62.8932 176.4908 204 E 4.0408 8.5153 121.4159 59.3831 29.2110 179.3448 205 I 3.7882 8.0038 119.8628 64.4639 37.1635 178.1576 206 Q 3.9022 8.2433 119.9348 59.1955 28.9246 177.9250 207 A 4.5530 8.2120 123.3635 54.7607 18.1322 178.6221 208 Y 3.8016 8.0221 116.6702 61.0765 38.8760 178.4817 209 V 3.9524 8.0780 117.5091 65.8946 31.8167 177.5187 210 G 4.1415 8.2705 105.8420 48.1284 0.0000 176.7722 211 R 3.9619 7.9215 116.3835 56.2279 29.8918 177.6861 *213 A 4.2931 7.8797 122.9348 51.5841 20.8162 178.4898 214 N 4.3505 8.0630 114.0874 53.0540 36.8646 174.4773 215 E 4.5962 8.4981 124.6635 56.4449 32.0985 176.8448 216 R 4.1246 7.9669 118.3113 56.0581 31.2516 174.5870 217 P 4.7792 0.0000 0.0000 62.6741 33.3831 175.0807 218 V 5.1051 8.5286 121.3298 59.9941 33.8593 174.6177 219 I 5.3690 8.7115 117.8388 59.1900 41.0144 174.1735 220 L 5.0440 9.1397 123.4441 54.5367 44.4051 174.6351 221 V 4.9190 8.3518 118.5600 59.9783 33.6425 174.6462 222 A 5.0171 9.1746 126.2427 49.7404 22.7750 174.4809 223 D 4.8126 9.0088 119.5896 54.1321 41.6984 176.3700 224 G 4.2786 9.4908 115.3647 49.2294 0.0000 174.3938 225 K 4.4835 8.2054 118.0380 57.6087 34.0865 176.9327 226 D 4.4471 7.8285 119.0506 55.0648 41.3132 176.9900 227 T 4.6921 8.5649 112.2889 61.9029 69.3776 175.2785 228 A 4.3670 7.8392 125.0516 54.4801 21.4942 178.1445 229 K 3.8430 8.0345 114.7177 61.0346 32.2423 178.9527 230 D 4.1639 7.2734 117.5310 56.7096 40.7291 177.8049 *232 Y 4.8581 7.8388 118.1297 57.7019 39.9696 176.9661 233 L 4.4118 7.8168 118.8561 56.6595 42.5861 178.7655 234 R 3.9264 8.2645 116.9694 59.7564 29.9144 177.8346 235 Q 4.0906 8.0636 113.9574 57.4757 28.9298 177.3771 236 G 4.0065 8.5030 106.7305 45.2086 0.0000 173.2508 237 Y 4.3922 8.1460 116.7997 57.9597 38.7105 175.7681 238 V 4.7729 8.5075 115.3553 59.5034 34.8733 174.9881 239 Y 4.2257 8.8577 124.0293 58.4708 39.3412 176.1152 240 Q 4.1990 7.0702 121.3924 56.1365 32.8263 174.0570 241 G 4.1201 5.3800 105.4137 44.2111 0.0000 171.3130 242 F 5.7336 9.0867 114.9910 55.5099 42.1406 173.8713 243 K 4.5976 9.0720 120.6891 55.4298 35.5496 174.6533 244 Y 4.9963 9.0635 125.7284 58.4091 39.4714 174.2438 245 H 5.7941 9.2706 117.7082 54.3198 32.8676 172.0860 246 I 5.4861 9.4285 112.5008 59.4677 41.4792 173.9079 247 L 5.3202 9.0843 124.6779 53.5860 46.0871 174.5971 248 K 4.4748 9.2654 127.2004 54.4709 34.2433 176.5848 249 E 3.7441 8.8392 128.2019 58.4282 29.7951 176.7811 250 N 5.0436 7.6505 115.1034 51.0186 41.4431 174.2542 251 I 3.8377 8.4806 123.5020 61.6748 37.0637 175.9473 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 0 A 8.12 4.17 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 *2 S 7.97 4.37 0.00 3.86 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 3 K 7.75 4.12 0.00 1.89 1.84 0.00 1.85 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.40 7.81 4 I 7.64 3.94 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.62 0.81 0.00 0.00 5 T 9.33 4.58 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 1.19 0.00 0.00 6 F 8.77 3.96 0.00 3.14 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 7 K 7.64 3.90 0.00 1.83 1.94 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.50 7.81 8 D 8.62 4.66 0.00 2.69 2.69 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 9 I 7.55 4.51 2.12 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 1.13 0.81 1.00 0.00 0.00 10 Y 8.96 4.26 0.00 2.83 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.96 3.84 1.58 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.87 0.26 0.00 0.00 12 D 8.37 3.82 0.00 2.62 2.47 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 13 G 7.66 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 14 N 8.35 4.87 0.00 2.94 2.71 0.00 0.00 6.45 7.26 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 15 K 8.36 3.55 0.00 1.22 1.46 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.99 0.68 7.81 16 I 8.36 3.94 1.74 0.00 0.00 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 1.13 0.49 0.83 0.00 0.00 17 T 6.98 4.50 4.11 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 0.98 0.00 0.00 18 E 8.18 4.97 0.00 1.84 1.70 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 2.10 2.16 0.00 19 D 8.22 5.04 0.00 2.71 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 20 S 8.66 4.27 0.00 4.01 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 21 R 8.40 4.68 0.00 2.00 2.22 0.00 3.57 0.00 0.00 3.43 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.53 0.00 22 K 9.13 4.96 0.00 1.54 1.90 0.00 0.61 0.00 0.00 1.32 0.00 0.00 2.65 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.90 0.55 7.81 23 A 8.91 5.03 1.15 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 0.00 0.00 24 I 8.30 4.49 1.53 0.00 0.00 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.18 0.84 0.00 0.00 25 Y 8.91 5.57 0.00 3.01 3.01 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 26 L 8.47 5.11 0.00 1.44 1.51 1.02 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 L 9.44 4.59 0.00 1.70 1.48 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.19 0.00 2.06 2.07 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.29 0.00 29 P 0.00 4.54 0.00 2.02 2.07 0.00 3.62 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.09 0.00 30 Q 8.12 4.50 0.00 1.97 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.90 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 31 P 0.00 4.46 0.00 2.17 2.13 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.91 0.00 32 L 7.55 4.39 0.00 1.44 1.69 0.85 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 33 K 7.70 4.14 0.00 1.69 1.83 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.85 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.39 1.40 7.81 34 Y 7.97 4.17 0.00 3.00 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 35 A 8.10 4.02 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 36 S 8.04 4.79 0.00 3.86 3.91 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 37 N 7.69 5.29 0.00 2.71 2.65 0.00 0.00 6.63 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 38 T 8.88 4.50 4.44 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 0.00 0.00 0.00 1.22 0.00 0.00 39 W 8.55 5.32 0.00 3.05 2.79 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 0.00 0.00 0.00 0.00 40 I 8.84 4.66 1.98 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.04 0.95 0.00 0.00 41 Y 9.13 4.69 0.00 3.02 2.90 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 42 K 9.47 4.60 0.00 1.91 1.90 0.00 1.65 0.00 0.00 1.88 0.00 0.00 3.12 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.42 7.81 43 T 7.96 4.51 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 1.25 0.00 0.00 *45 P 0.00 4.46 0.00 2.24 2.08 0.00 3.48 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.72 0.00 46 T 7.63 4.39 4.25 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 1.22 0.00 0.00 *48 N 9.00 4.64 0.00 2.85 2.96 0.00 0.00 6.48 7.31 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 49 Q 8.87 4.02 0.00 2.18 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.72 0.00 50 W 8.62 4.17 0.00 3.37 3.24 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 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0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.67 7.81 *61 H 8.17 4.71 0.00 3.19 3.43 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 8.02 4.15 0.00 1.87 1.75 1.07 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 63 N 8.28 4.31 0.00 2.80 2.89 0.00 0.00 6.97 7.21 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 64 Q 7.85 4.36 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.69 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 65 S 7.80 3.48 0.00 3.93 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 66 S 7.88 4.37 0.00 3.64 3.43 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 67 Y 8.35 5.13 0.00 2.97 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 68 H 7.99 5.50 0.00 2.82 3.16 0.00 5.08 0.00 0.00 0.00 0.00 6.75 0.00 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0.00 0.00 77 E 7.69 4.76 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 78 K 8.53 4.44 0.00 1.81 1.72 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.28 1.40 7.81 79 I 7.66 3.63 1.18 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.03 0.31 0.00 0.00 80 D 8.23 4.36 0.00 2.52 2.47 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 81 E 8.67 3.82 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 82 V 7.54 3.52 2.02 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 0.66 0.00 0.00 0.90 0.00 0.00 83 L 7.67 3.81 0.00 1.56 1.54 0.50 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.57 3.67 0.00 1.87 1.54 0.70 0.30 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 85 E 7.86 3.89 0.00 2.17 1.99 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 2.44 2.44 0.00 86 K 7.81 3.88 0.00 1.91 2.00 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.65 1.81 7.81 87 I 7.58 3.82 1.80 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.30 0.79 0.00 0.00 88 R 8.29 4.04 0.00 1.86 2.00 0.00 3.15 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 89 E 8.71 3.99 0.00 2.20 2.28 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 2.38 2.41 0.00 90 L 7.98 4.54 0.00 2.12 1.90 1.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 91 G 8.65 3.83 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 0.00 0.00 0.00 92 F 8.39 4.74 0.00 3.17 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 93 Q 9.29 4.39 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.99 0.00 0.00 102 I 8.41 4.45 1.17 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.89 0.45 0.00 0.00 103 E 8.67 4.65 0.00 1.87 1.80 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 0.00 2.30 2.22 0.00 104 A 8.16 3.80 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.95 3.87 0.00 1.71 1.87 0.00 1.75 0.00 0.00 1.68 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.43 7.81 106 A 8.15 4.08 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 0.00 107 L 7.72 3.88 0.00 1.74 1.68 0.66 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.79 4.08 0.00 1.93 1.84 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.59 7.81 109 E 8.05 4.14 0.00 2.18 1.99 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 2.32 2.47 0.00 110 L 8.03 4.05 0.00 1.75 1.80 0.97 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.43 4.73 0.00 3.90 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 0.00 112 R 8.49 4.62 0.00 1.81 1.88 0.00 3.43 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 113 K 8.47 3.84 0.00 1.81 1.86 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.40 7.81 114 R 8.28 4.19 0.00 1.91 1.90 0.00 3.29 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 115 D 8.27 4.59 0.00 2.64 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 0.00 116 V 7.60 4.40 2.14 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 0.79 0.00 0.00 0.98 0.00 0.00 117 D 8.99 4.89 0.00 2.88 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.48 5.04 1.86 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.60 0.01 0.00 0.00 119 Q 8.94 4.76 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.32 0.00 120 L 8.51 4.60 0.00 1.56 1.64 1.04 1.01 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 0.00 121 V 8.59 4.27 1.99 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 0.45 0.00 0.00 0.86 0.00 0.00 122 S 9.58 4.76 0.00 4.00 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 0.00 123 S 8.92 4.30 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 0.00 124 N 7.88 4.79 0.00 2.68 2.87 0.00 0.00 6.78 9.11 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 0.00 125 N 8.37 5.08 0.00 3.09 3.05 0.00 0.00 6.53 7.15 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 0.00 126 I 7.79 3.50 1.20 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.32 0.93 0.00 0.00 127 N 8.15 4.56 0.00 2.80 2.85 0.00 0.00 7.17 8.08 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 0.00 128 D 7.97 4.35 0.00 2.98 2.64 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 0.00 0.00 0.00 0.00 129 Y 8.02 3.93 0.00 3.07 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 0.00 130 L 8.58 4.12 0.00 1.90 1.77 1.06 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 131 H 7.89 4.36 0.00 3.26 3.43 0.00 5.76 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 V 7.58 3.46 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 0.54 0.00 0.00 0.71 0.00 0.00 133 Y 7.72 3.73 0.00 3.01 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 0.00 134 D 8.03 4.51 0.00 2.81 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 0.00 135 A 7.32 4.24 1.09 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 0.00 0.00 136 F 6.81 4.12 0.00 2.84 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 0.00 137 A 8.49 4.17 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 0.00 138 R 8.01 4.57 0.00 1.84 1.87 0.00 3.16 0.00 0.00 3.57 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 139 P 0.00 4.10 0.00 1.13 1.82 0.00 3.11 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.73 0.00 140 F 7.56 4.76 0.00 2.37 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 0.00 141 G 7.98 4.04 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 0.00 142 D 8.75 4.35 0.00 2.78 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 0.00 143 S 8.06 4.13 0.00 3.90 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 0.00 144 Y 8.24 4.02 0.00 3.21 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 0.00 145 A 8.30 4.48 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 0.00 146 N 8.53 4.56 0.00 2.87 2.86 0.00 0.00 6.69 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 *148 V 7.79 3.94 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 1.12 0.00 0.00 0.96 0.00 0.00 149 K 8.45 3.77 0.00 1.93 1.84 0.00 1.79 0.00 0.00 1.87 0.00 0.00 3.15 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.75 7.81 150 Q 8.33 4.09 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 151 H 8.12 4.29 0.00 3.12 3.45 0.00 5.99 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 I 8.09 3.82 1.99 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.04 0.86 0.00 0.00 153 Y 8.62 4.33 0.00 2.98 3.24 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 0.00 154 S 7.72 4.50 0.00 4.11 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 7.82 4.52 0.00 3.87 3.91 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 0.00 156 Y 8.00 4.03 0.00 3.04 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 0.00 157 N 5.93 3.97 0.00 1.44 2.28 0.00 0.00 6.76 7.78 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 0.00 158 L 6.73 4.30 0.00 1.57 1.50 0.84 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 159 D 8.07 4.65 0.00 2.73 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 0.00 160 D 8.37 4.84 0.00 2.55 2.64 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 0.00 0.00 0.00 0.00 161 I 7.33 4.06 1.85 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.38 1.00 0.00 0.00 162 E 9.17 4.58 0.00 2.08 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 2.30 2.36 0.00 163 R 8.48 5.31 0.00 1.58 1.57 0.00 2.84 0.00 0.00 2.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.56 0.00 164 L 8.82 5.45 0.00 1.61 1.39 0.81 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 165 V 8.92 4.86 2.14 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 0.92 0.00 0.00 0.46 0.00 0.00 166 A 8.85 5.09 1.18 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 0.00 0.00 167 Y 8.79 5.16 0.00 2.81 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 0.00 168 V 8.87 4.56 2.01 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 1.04 0.00 0.00 0.94 0.00 0.00 169 N 9.78 3.94 0.00 2.94 2.89 0.00 0.00 7.08 8.16 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 0.00 170 H 8.08 4.14 0.00 3.29 3.32 0.00 5.76 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 Q 7.96 4.66 0.00 2.22 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.99 0.00 0.00 0.00 0.00 0.00 1.92 2.07 0.00 172 P 0.00 3.93 0.00 1.94 1.73 0.00 3.69 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 2.09 0.00 173 V 8.49 4.01 1.66 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 0.65 0.00 0.00 -0.46 0.00 0.00 174 G 7.46 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 175 I 8.66 5.71 1.69 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.76 0.65 0.00 0.00 176 V 8.34 4.99 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 0.76 0.00 0.00 1.18 0.00 0.00 177 D 9.87 5.57 0.00 2.79 2.69 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 0.00 178 I 9.24 5.15 1.92 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 1.30 0.93 0.94 0.00 0.00 179 I 8.25 4.65 1.81 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 1.21 1.03 0.53 0.00 0.00 *181 T 8.16 4.37 4.46 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 1.24 0.00 0.00 182 D 8.76 4.59 0.00 2.66 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 0.00 183 K 8.12 4.11 0.00 1.72 1.82 0.00 1.73 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.42 7.81 184 T 7.21 4.94 4.24 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 1.20 0.00 0.00 185 I 8.49 4.78 1.88 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 1.11 0.69 0.96 0.00 0.00 186 E 8.92 5.16 0.00 2.03 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 0.00 2.22 2.37 0.00 187 I 8.38 4.63 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.84 0.87 0.00 0.00 188 D 9.06 4.65 0.00 2.85 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 G 9.07 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 0.00 0.00 0.00 190 F 8.54 4.80 0.00 3.09 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 0.00 191 G 8.53 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 V 7.54 4.72 1.99 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 0.43 0.00 0.00 0.82 0.00 0.00 193 L 8.56 3.87 0.00 1.75 1.66 0.89 0.45 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 0.00 194 E 9.02 3.83 0.00 1.94 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 2.35 2.33 0.00 195 E 8.16 4.15 0.00 1.72 1.64 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 0.00 2.22 2.31 0.00 196 F 8.08 4.69 0.00 3.07 2.99 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 0.00 197 Q 7.95 4.05 0.00 2.07 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.22 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 198 H 8.50 4.19 0.00 3.25 3.36 0.00 5.83 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 Q 7.97 4.55 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.46 0.00 0.00 0.00 0.00 0.00 2.51 2.34 0.00 200 G 8.48 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 0.00 0.00 0.00 201 I 7.94 3.80 1.89 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.84 0.89 0.00 0.00 202 G 8.34 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 0.00 0.00 0.00 0.00 203 S 8.03 4.26 0.00 4.09 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 0.00 204 E 8.52 4.04 0.00 2.19 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 2.57 2.55 0.00 205 I 8.00 3.79 2.15 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.71 1.11 0.00 0.00 206 Q 8.24 3.90 0.00 2.39 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.33 0.00 207 A 8.21 4.55 1.46 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 0.00 0.00 208 Y 8.02 3.80 0.00 3.20 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 0.00 209 V 8.08 3.95 2.25 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 0.92 0.00 0.00 1.12 0.00 0.00 210 G 8.27 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 0.00 211 R 7.92 3.96 0.00 1.75 1.72 0.00 3.13 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 *213 A 7.88 4.29 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 214 N 8.06 4.35 0.00 2.83 2.82 0.00 0.00 6.89 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 E 8.50 4.60 0.00 1.89 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 2.17 2.26 0.00 216 R 7.97 4.12 0.00 1.82 1.98 0.00 3.18 0.00 0.00 3.72 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 217 P 0.00 4.78 0.00 2.09 2.14 0.00 3.88 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 218 V 8.53 5.11 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 0.74 0.00 0.00 0.98 0.00 0.00 219 I 8.71 5.37 1.82 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 1.51 0.87 0.89 0.00 0.00 220 L 9.14 5.04 0.00 1.56 1.62 0.44 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 221 V 8.35 4.92 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 0.85 0.00 0.00 1.11 0.00 0.00 222 A 9.17 5.02 1.50 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 0.00 0.00 223 D 9.01 4.81 0.00 2.77 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 0.00 224 G 9.49 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 0.00 0.00 0.00 0.00 225 K 8.21 4.48 0.00 1.91 1.94 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 226 D 7.83 4.45 0.00 2.79 2.69 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 0.00 227 T 8.56 4.69 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 1.20 0.00 0.00 228 A 7.84 4.37 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 0.00 229 K 8.03 3.84 0.00 1.92 1.92 0.00 2.48 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.49 1.46 7.81 230 D 7.27 4.16 0.00 2.74 2.59 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 0.00 0.00 0.00 0.00 *232 Y 7.84 4.86 0.00 2.62 2.43 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 0.00 233 L 7.82 4.41 0.00 1.81 1.80 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 234 R 8.26 3.93 0.00 1.81 2.08 0.00 3.21 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 235 Q 8.06 4.09 0.00 2.51 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.92 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 236 G 8.50 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 0.00 0.00 0.00 237 Y 8.15 4.39 0.00 2.95 2.95 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 0.00 238 V 8.51 4.77 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 0.89 0.00 0.00 1.06 0.00 0.00 239 Y 8.86 4.23 0.00 3.05 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 0.00 240 Q 7.07 4.20 0.00 1.86 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 241 G 5.38 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 0.00 242 F 9.09 5.73 0.00 3.05 3.35 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 0.00 0.00 0.00 243 K 9.07 4.60 0.00 0.79 1.04 0.00 1.02 0.00 0.00 1.48 0.00 0.00 2.74 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.25 1.36 7.81 244 Y 9.06 5.00 0.00 3.11 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 0.00 245 H 9.27 5.79 0.00 3.47 3.49 0.00 5.40 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 I 9.43 5.49 2.18 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.36 1.06 0.00 0.00 247 L 9.08 5.32 0.00 1.88 1.60 0.51 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 248 K 9.27 4.47 0.00 0.79 1.01 0.00 1.08 0.00 0.00 1.38 0.00 0.00 2.68 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.03 1.15 7.81 249 E 8.84 3.74 0.00 2.03 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 2.13 2.13 0.00 250 N 7.65 5.04 0.00 2.62 2.67 0.00 0.00 6.92 7.45 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 0.00 251 I 8.48 3.84 1.91 0.00 0.00 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 1.13 0.59 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.