NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4731 8.3349 115.4154 57.4351 64.3748 173.3103 4 L 3.9450 8.3670 121.5822 54.5807 41.9717 176.1305 5 T 3.9862 9.2417 121.0153 63.2011 69.8272 172.2934 6 P 4.7385 0.0000 0.0000 62.9773 32.3225 175.8209 7 R 4.8849 8.9435 119.6676 54.6911 35.0749 173.8166 8 C 5.1793 9.1018 122.4611 57.8782 33.7937 172.5800 9 I 4.7144 8.6085 128.7759 59.7280 38.0769 175.2127 10 I 4.3061 8.3501 121.9699 59.1426 40.0506 174.9628 11 V 4.4827 8.3083 125.4804 60.8569 33.8321 174.3454 12 R 4.7022 8.7500 129.6739 55.8439 31.5000 175.6229 13 H 4.3330 8.7345 121.5903 55.9145 29.9318 175.1962 14 G 4.3980 8.2465 107.5541 45.2042 0.0000 173.0875 15 Q 4.2348 9.3937 121.2908 56.7316 29.4165 175.6907 16 T 4.9905 8.6945 114.7296 59.4197 73.1078 174.9641 17 E 4.0679 8.6224 119.5131 59.3857 29.3703 179.4791 18 W 4.6995 8.4934 119.8998 58.4935 28.9274 178.6419 19 S 4.2683 8.5944 114.7575 61.2685 62.1041 176.4369 20 K 3.9465 7.7455 122.7263 59.3219 32.1017 178.4557 21 S 4.4444 7.9029 112.5560 58.9965 63.0805 175.6392 22 G 3.9994 7.6718 109.7351 45.3249 0.0000 173.2444 23 Q 4.1230 7.7049 118.8814 55.4857 29.5309 175.6976 24 Y 4.1386 8.7082 121.8257 58.3472 39.0918 174.7031 25 T 5.2067 9.1509 121.7110 63.5778 70.5531 173.5326 26 G 3.8987 10.2939 116.8176 45.6496 0.0000 174.1103 27 L 4.1114 9.3441 124.2515 57.3693 42.6157 177.8416 28 T 3.7893 8.2827 115.3636 64.2550 69.0857 174.4355 29 D 4.6777 8.2431 129.3321 53.0372 40.3775 176.4413 30 L 3.9337 7.1994 119.8920 54.1913 42.7055 176.1625 31 P 4.6911 0.0000 0.0000 61.5184 32.5562 175.9126 32 L 4.2812 8.6054 119.8417 54.8661 42.0894 177.8121 33 T 4.2273 8.4985 112.3588 60.6585 70.0129 173.6405 34 P 4.2319 0.0000 0.0000 66.1158 31.1440 178.1699 35 Y 4.0994 8.1878 117.6346 60.7723 38.5578 178.2192 36 G 3.7121 8.2984 105.5553 47.7933 0.0000 175.1366 37 E 4.2270 8.3421 120.3723 59.2904 29.7620 179.3965 38 G 3.6773 7.8338 105.3731 47.5817 0.0000 175.5215 39 Q 3.8212 7.7414 118.5169 57.0908 28.9737 177.8655 *41 L 4.2913 7.7866 119.5852 54.7125 43.7954 179.4119 42 R 4.1215 8.2336 117.7798 59.3794 29.8003 179.2355 43 T 3.9681 8.1717 115.8032 66.6418 68.5257 176.7999 44 G 3.8607 8.0361 108.3383 47.4650 0.0000 175.3733 45 E 4.0960 8.3453 121.1318 58.9799 29.1907 179.5225 46 S 4.0078 8.0450 112.4768 61.6390 62.8759 176.4521 47 V 3.6840 8.0086 115.0745 63.6175 31.0065 177.9844 48 F 4.7260 8.0463 115.8675 57.8344 39.6734 176.0900 49 R 4.4576 7.8558 113.6687 57.8418 32.0220 176.4510 50 N 4.5111 8.0477 111.8212 53.8251 38.9086 175.3527 *52 Q 3.9907 7.6630 116.7515 55.7771 29.8166 175.3661 53 F 4.7416 8.0231 119.2736 58.8755 39.4887 176.1088 54 L 4.7906 7.5324 119.0121 52.5761 45.2435 175.0991 55 N 5.0705 8.5524 119.7943 51.0929 40.9014 173.3402 56 P 4.3576 0.0000 0.0000 65.8197 31.6177 178.3225 57 D 4.4676 8.5764 117.1136 56.5169 40.9009 176.7239 58 N 4.7554 8.3053 115.5555 53.0974 39.3510 174.5680 59 I 4.6132 7.4574 120.6082 61.2991 38.0791 175.0498 60 T 4.4294 9.0624 115.6430 63.2272 70.6780 174.2605 61 Y 5.0632 8.0588 119.0731 55.4450 42.7830 174.1999 62 I 4.9304 8.9028 123.1708 59.7374 40.3973 174.4341 63 F 5.2006 9.1090 125.7614 56.2330 41.3390 174.8032 64 T 5.2517 9.0426 117.2670 59.8973 70.8503 172.9663 65 S 4.6778 8.9176 122.8397 58.2686 62.5541 172.9824 66 P 4.4478 0.0000 0.0000 64.8491 31.7955 177.6991 67 R 4.1510 7.9272 119.8213 55.8840 31.5758 176.7340 68 L 3.9333 9.1385 126.0400 58.6469 41.9516 179.8258 69 R 4.1590 8.0048 114.9205 59.1901 29.2728 178.6252 70 A 4.0394 7.8878 120.8844 55.1360 18.7071 179.6241 71 R 3.8143 8.0203 116.6141 59.5031 30.1227 179.3542 72 Q 4.0008 8.6340 118.1895 59.2104 28.6106 178.9767 73 T 3.9299 7.6807 116.5955 66.4645 68.4914 176.5397 74 V 2.4235 7.4563 120.0887 66.0210 31.1706 177.8214 75 D 4.2836 7.4853 116.2891 57.3796 40.8099 178.6130 76 L 4.1531 8.0323 119.4841 57.7307 41.3229 179.6842 77 V 3.7862 8.1794 118.4167 65.6061 31.5460 177.1202 78 L 4.4766 7.9126 116.7036 54.8021 41.4525 178.5268 79 K 3.8753 7.6397 119.8715 59.1522 32.1049 176.4032 80 P 4.3642 0.0000 0.0000 63.8303 31.4885 176.5056 81 L 4.2370 7.3425 118.7989 53.9314 42.4342 177.2006 82 S 4.4933 8.8893 116.8077 57.6381 65.4644 175.1173 83 D 4.2814 8.4175 121.4955 57.4515 40.2428 178.7314 84 E 3.8888 7.9737 118.5774 59.2719 30.1000 178.3816 85 Q 4.0900 8.0788 118.1375 59.0989 28.8393 179.0381 86 R 3.8964 8.2013 118.9265 59.0130 29.8316 178.9066 87 A 4.0672 8.0682 119.9864 54.1538 18.3737 178.6906 88 K 4.3342 7.4066 114.4345 55.3612 32.7180 176.0126 89 I 4.5572 6.9426 120.7059 59.4018 39.7266 175.3402 90 R 4.1928 8.1382 126.2466 55.2013 31.5767 175.4705 91 V 4.7060 8.2251 123.4032 61.0060 33.7122 174.6263 92 V 4.3888 8.7090 127.9563 60.9753 34.2137 174.2498 93 V 4.5177 8.5350 128.2524 62.3333 32.6316 174.4686 94 D 5.1155 9.3943 127.7145 52.5009 43.7620 175.7990 95 D 4.4677 9.4652 127.0184 57.0923 41.4590 177.6767 96 D 4.5400 8.6433 117.9965 56.2873 40.7990 176.7716 97 L 4.5983 7.8499 118.1652 54.1055 42.0058 176.7381 98 R 4.1757 7.5523 115.7319 55.6070 29.9218 176.0809 99 E 4.1298 8.1595 119.2285 55.1115 30.2868 175.9913 100 W 3.9865 8.6489 131.5258 57.9086 31.0003 175.4205 101 E 4.1431 9.3797 125.7945 56.1824 28.7283 177.1069 102 Y 4.5851 8.6184 122.2089 58.2009 40.0267 177.5606 103 G 3.7342 7.8823 108.8244 46.3265 0.0000 177.5251 104 D 4.3423 8.7467 125.6608 56.6721 40.4596 176.4814 105 Y 4.5428 7.4332 114.7841 57.3506 38.2249 175.3718 106 E 3.9912 7.8247 121.7126 57.9659 30.4821 176.5740 107 G 2.4889 8.8750 114.4608 46.1439 0.0000 173.2312 *109 L 4.1036 7.1881 117.6205 54.2914 44.7106 177.7594 110 T 3.8348 8.4854 117.7653 67.1427 68.4641 177.0193 111 R 3.9046 7.9169 117.1528 59.2569 29.3497 178.6292 112 E 3.8441 7.9012 118.8883 59.0465 29.4617 179.0119 113 I 3.0220 7.4665 119.9191 64.1380 36.9129 178.4810 114 I 3.5115 7.5370 120.5474 64.2909 36.8466 178.1477 115 E 3.8204 7.9498 120.0713 58.9740 29.3228 178.5375 116 L 3.8217 7.9275 120.6051 58.2586 42.1796 179.1170 117 R 3.7971 7.9326 118.2978 59.0919 29.9817 178.8743 118 K 3.8822 8.2269 119.8879 59.5991 31.9679 178.9668 119 S 4.1949 8.1311 113.3101 60.8272 62.8937 175.6100 120 R 4.4015 7.4163 119.6261 55.6153 30.0332 176.9989 121 G 3.8639 7.9112 106.9486 45.6887 0.0000 173.7996 122 L 4.4587 7.7249 119.7887 54.0933 43.1082 176.0351 123 D 4.9084 8.5169 115.7649 55.1731 38.0024 176.0127 124 K 4.1744 7.5525 119.7787 59.0894 32.3772 178.5611 125 E 4.3187 8.2056 117.4106 58.2126 30.0187 176.4720 126 R 4.6915 7.3820 112.3594 53.9765 32.1701 172.5497 127 P 4.3902 0.0000 0.0000 61.8594 32.0029 176.3860 128 W 4.4727 8.7399 130.9195 58.1737 31.2105 175.8178 129 N 4.2882 8.9382 122.3956 50.8531 40.9451 174.7059 130 I 3.1464 6.8992 128.7470 63.7866 37.6847 177.5484 131 W 4.4675 7.3573 118.8896 59.1511 28.8407 177.8115 132 R 4.3867 8.1389 117.2031 58.4229 30.2778 177.1153 133 D 4.8613 8.6793 116.4385 55.1710 42.2221 178.4499 134 G 4.2342 8.7199 108.1240 46.1523 0.0000 172.0983 135 C 5.0528 8.3772 115.6094 57.4697 31.8202 173.4627 136 E 4.0493 8.1847 123.0062 57.8923 29.3416 177.0673 137 N 4.4210 9.0660 119.2856 53.8824 36.6655 174.0984 138 G 4.4183 7.7938 106.3355 45.1756 0.0000 172.6508 139 E 4.7868 9.0010 120.2793 56.3098 30.9022 177.2007 140 T 4.6790 8.9280 113.6816 61.4842 70.3140 175.6681 141 T 3.9148 8.9026 116.1687 65.4537 67.3625 176.1867 142 Q 4.0789 8.1450 119.6428 58.9856 28.7776 178.6696 143 Q 3.8107 8.0151 119.0768 58.8902 28.7806 178.7043 144 I 3.3421 7.0600 119.6703 63.7026 37.7810 177.9841 145 G 3.7466 7.8518 106.7840 47.6907 0.0000 175.3333 146 L 3.5537 7.9066 122.8206 57.7997 42.1526 179.3392 147 R 3.8858 7.5408 115.5979 59.2777 29.2659 178.7582 148 L 4.0840 7.9297 119.6985 57.5734 41.5635 179.5273 149 S 4.0625 8.3189 115.3877 61.6039 62.7903 176.9919 150 R 3.7747 8.0085 120.4399 59.1372 29.8378 178.9791 151 A 3.8316 7.8719 120.3306 55.1269 18.3300 179.5990 152 I 3.6128 7.9847 118.4462 64.5440 37.1657 178.4190 153 A 3.8596 7.9490 121.4230 55.2331 18.1668 179.9407 154 R 3.7579 7.7386 116.3609 59.3179 30.0028 179.4238 155 I 3.5938 7.6522 119.5533 64.5435 37.0700 178.6237 156 Q 4.1404 8.4359 119.3063 58.7786 28.4635 178.2840 157 N 4.2330 8.1603 118.2908 56.5533 38.9009 176.9543 158 L 3.8594 7.8570 120.3558 58.0753 41.6254 179.0672 159 H 4.3011 8.4512 116.4369 59.0580 28.6777 177.7765 160 R 3.8201 8.2241 120.4931 59.2595 29.9903 178.7345 161 K 3.9675 8.0529 118.2332 59.8445 32.1169 179.0612 162 H 4.5113 8.4227 116.7612 59.0361 28.6399 177.6201 163 Q 4.0396 8.5353 121.9888 59.2489 28.6534 178.5575 164 S 4.2079 7.9804 114.1813 60.9670 63.1761 175.4454 165 E 4.3178 7.9632 119.9285 55.9499 29.5010 176.6491 166 G 3.8626 8.0719 107.1550 46.5686 0.0000 173.2453 167 R 4.7288 7.8648 119.1549 53.5606 31.9901 175.5572 168 A 4.2166 8.6542 127.6122 52.8416 19.6963 177.6509 169 S 4.5617 8.5310 115.0096 57.7362 64.7740 171.7800 170 D 5.3706 9.4732 128.0932 53.4471 42.3853 176.1305 171 I 5.5527 8.7638 124.4530 58.5215 41.5895 174.3002 *173 V 4.3664 8.0720 121.1864 63.4338 32.7064 174.2598 174 F 5.1490 9.3428 127.9394 55.2551 40.7506 173.2994 175 A 4.3620 8.7207 130.8271 51.8606 26.0877 176.1217 176 H 5.2930 8.9754 114.4607 54.9020 33.1815 174.6115 177 G 3.6827 8.8923 107.4332 48.4564 0.0000 175.8867 178 H 4.5189 9.0297 118.9708 58.6624 28.8056 177.6401 179 A 4.2044 8.8388 122.8682 55.5156 18.1277 179.7031 180 L 4.0957 8.7100 117.7375 57.8189 41.7684 179.8454 181 R 4.2855 8.2866 117.9954 59.4020 30.0404 178.4561 182 Y 4.2379 8.9566 119.6308 60.7469 38.9103 177.7024 183 F 4.3029 9.0853 121.7534 61.4887 39.4730 176.8437 184 A 4.2870 8.8328 120.2556 55.2258 18.2307 179.3561 185 A 4.1472 8.5933 119.4952 55.5198 18.5620 179.9882 186 I 3.7043 8.1100 111.3876 63.2365 37.5022 177.8655 187 W 4.0812 8.1314 130.2464 59.9942 30.5134 176.5271 188 F 4.7920 7.6505 108.7625 56.7444 37.5148 176.1210 189 G 3.9537 7.5733 108.2964 45.6227 0.0000 174.3131 190 L 3.9489 6.9656 119.4003 55.0252 42.7594 178.5256 191 G 3.7683 8.4460 106.2239 45.2852 0.0000 173.0268 192 V 4.4620 8.1328 113.2101 59.5015 36.1645 174.8758 193 Q 4.7266 8.4396 123.8528 55.1948 30.4596 174.7926 194 K 4.4331 8.7137 126.1962 54.0744 35.4889 175.3225 195 K 4.4560 8.6750 128.8128 56.6732 33.1502 175.9619 196 C 4.5426 8.9128 125.5500 60.0772 27.8185 172.7592 197 E 4.4533 9.8045 123.0017 57.4889 32.1121 177.6250 198 T 4.2935 7.9541 108.3170 60.7583 71.1181 175.2605 199 I 3.6918 8.2686 121.8048 64.9636 36.8489 178.5420 200 E 3.9958 8.0283 117.2719 59.3063 29.4659 178.7535 201 E 3.9498 8.0270 117.8477 58.8313 29.5734 178.5788 202 I 4.2040 7.4402 117.8147 61.1730 38.0509 176.3638 203 Q 4.0674 7.1168 117.7705 55.8105 29.1100 175.3394 204 N 4.7025 8.2685 117.7879 51.7165 38.8865 175.1015 205 V 3.8216 8.3681 118.5613 60.8835 32.6573 176.2190 206 K 3.6137 8.1311 119.3583 57.4936 29.5232 175.7278 207 S 4.4536 7.6566 112.7598 59.9081 64.3114 173.9175 208 Y 5.2120 7.2468 117.4473 55.6918 40.6315 174.3075 209 D 4.4202 8.4210 119.4973 52.3881 41.9723 173.8588 210 D 4.4640 8.1047 123.6348 53.4693 42.1776 175.5414 211 D 4.6935 8.7734 127.2303 56.1555 41.0720 177.6652 212 T 4.1528 8.5126 109.0190 62.4248 69.2817 174.8331 213 V 4.1662 7.6870 122.7592 60.2589 31.3590 173.2217 214 P 4.4274 0.0000 0.0000 62.7106 32.0872 176.0955 215 Y 4.2923 8.8021 123.8736 57.4060 39.4723 174.3330 216 V 3.9122 7.3646 126.3545 60.6355 32.5581 174.8928 217 K 4.1254 8.3841 129.4704 55.5706 32.3359 176.2505 218 L 4.2726 8.2828 126.7573 54.8010 42.4975 176.6435 219 E 4.6846 8.6431 120.5225 57.0864 31.2765 175.5096 220 S 5.3346 7.8502 112.3596 57.2879 66.5177 172.2841 221 Y 4.9963 9.0065 118.4928 55.5669 42.0228 173.5137 222 R 5.1511 8.9021 119.7704 54.8165 32.5580 174.2449 223 H 5.3996 8.8542 119.9826 54.2210 32.5683 172.7587 224 L 4.6428 9.0503 120.0645 54.1821 42.7309 177.2846 225 V 4.5233 7.8476 110.3280 60.8708 33.3167 174.5521 226 D 4.4997 7.4776 117.8026 52.9389 43.8168 174.0508 227 N 3.1400 8.3710 121.0914 52.4904 38.9705 172.9891 228 P 3.6729 0.0000 0.0000 63.1403 32.2020 175.3173 229 C 3.5630 7.5493 115.8291 61.1800 25.2731 172.5423 230 F 5.3425 7.5058 116.2674 55.7305 41.8770 175.5605 231 L 4.7906 8.1552 122.0710 53.1706 44.0879 176.7260 232 L 4.1068 8.0579 123.0248 54.4814 43.5101 174.2157 233 D 4.5684 8.4721 126.0198 52.9129 42.1900 175.1245 234 A 4.1690 8.4124 125.4221 54.1593 18.4784 178.4126 235 G 3.9842 8.7245 110.5369 45.0265 0.0000 174.0891 236 G 3.8492 8.3037 107.9364 46.0787 0.0000 173.0554 237 I 4.9406 8.2065 121.9373 59.1927 40.0549 175.1652 238 G 4.1065 8.8624 113.8315 44.2308 0.0000 171.8884 239 V 4.7030 7.8084 118.6170 60.8573 34.8994 173.8727 240 L 4.7373 8.5202 127.8390 52.7595 44.2151 174.7859 241 S 4.1890 8.8014 119.8544 57.6953 67.7223 172.4160 242 Y 5.4317 8.4806 114.7447 56.3014 42.1612 174.6277 243 A 4.2173 9.2830 124.8655 52.0794 20.4944 177.2300 244 H 4.1215 9.0384 115.4346 57.8656 26.3142 174.5336 245 H 4.0069 8.3903 111.0264 56.6596 26.5836 174.2390 246 N 4.8603 8.0723 117.6302 51.5573 40.0038 175.1269 247 I 2.8744 8.2127 127.3282 64.1175 37.2472 176.8277 248 D 4.6003 8.2790 117.8264 55.1425 41.3967 176.1330 249 E 4.9898 8.3806 119.4114 54.2270 28.8459 174.1015 250 P 4.9146 0.0000 0.0000 63.3837 32.5693 177.2956 251 A 4.8392 9.3049 122.9045 50.6836 23.3298 174.3679 252 L 4.4335 7.9509 121.2697 53.3861 43.7379 175.5628 253 E 4.1221 8.4930 127.9985 55.2997 29.7436 177.2848 254 L 3.8370 8.5626 127.8564 57.4132 42.1646 177.9883 255 A 4.2459 8.4066 120.3511 51.3655 19.5190 178.3281 256 G 3.5264 7.2049 106.0431 46.5452 0.0000 173.9337 257 P 4.2500 0.0000 0.0000 62.9940 31.8403 176.3956 258 F 3.1092 7.5956 122.7737 57.9477 39.7453 174.6206 259 V 4.2594 6.6501 119.4005 59.0677 35.4398 175.4983 260 S 4.1241 8.2577 118.7406 57.6113 63.3407 172.8058 261 P 4.2714 0.0000 0.0000 61.9934 31.6476 174.7355 262 P 4.4283 0.0000 0.0000 62.2052 32.1193 175.9514 263 E 4.0820 8.5880 119.0562 56.6646 29.5256 176.5701 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 3 S 8.33 4.47 0.00 4.03 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 4 L 8.37 3.94 0.00 1.78 1.69 0.95 0.61 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 5 T 9.24 3.99 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 1.40 0.00 0.00 6 P 0.00 4.74 0.00 1.89 1.97 0.00 3.62 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 1.96 2.15 0.00 7 R 8.94 4.88 0.00 1.89 1.70 0.00 3.02 0.00 0.00 3.07 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 8 C 9.10 5.18 0.00 2.82 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 0.00 0.00 0.00 0.00 9 I 8.61 4.71 1.78 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 1.27 0.97 0.76 0.00 0.00 10 I 8.35 4.31 1.62 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 0.96 0.60 0.51 0.00 0.00 11 V 8.31 4.48 0.92 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 0.73 0.00 0.00 0.26 0.00 0.00 12 R 8.75 4.70 0.00 1.90 1.85 0.00 3.17 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 13 H 8.73 4.33 0.00 3.53 3.50 0.00 5.51 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 14 G 8.25 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 15 Q 9.39 4.23 0.00 2.43 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.50 0.00 0.00 0.00 0.00 0.00 2.48 2.43 0.00 16 T 8.69 4.99 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 1.24 0.00 0.00 17 E 8.62 4.07 0.00 2.08 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 0.00 2.47 2.44 0.00 18 W 8.49 4.70 0.00 3.45 3.45 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 19 S 8.59 4.27 0.00 4.15 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 0.00 20 K 7.75 3.95 0.00 1.78 2.16 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.12 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.46 7.81 21 S 7.90 4.44 0.00 4.22 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 22 G 7.67 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Q 7.70 4.12 0.00 1.64 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.82 6.80 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 24 Y 8.71 4.14 0.00 2.52 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 0.00 0.00 0.00 25 T 9.15 5.21 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 1.29 0.00 0.00 26 G 10.29 3.90 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 0.00 27 L 9.34 4.11 0.00 1.71 1.78 0.94 0.83 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 28 T 8.28 3.79 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 0.81 0.00 0.00 29 D 8.24 4.68 0.00 2.58 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 30 L 7.20 3.93 0.00 1.49 1.39 0.12 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.69 0.00 2.16 2.02 0.00 3.66 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 32 L 8.61 4.28 0.00 1.66 1.68 0.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 33 T 8.50 4.23 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 34 P 0.00 4.23 0.00 2.25 2.20 0.00 3.66 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.19 0.00 35 Y 8.19 4.10 0.00 3.14 3.04 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 36 G 8.30 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 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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 4.36 0.00 2.16 1.94 0.00 3.72 0.00 0.00 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.81 0.00 57 D 8.58 4.47 0.00 2.80 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 58 N 8.31 4.76 0.00 2.91 2.89 0.00 0.00 6.84 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 59 I 7.46 4.61 1.95 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.79 1.02 0.00 0.00 60 T 9.06 4.43 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 1.20 0.00 0.00 61 Y 8.06 5.06 0.00 3.09 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 62 I 8.90 4.93 1.86 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 1.43 0.76 1.01 0.00 0.00 63 F 9.11 5.20 0.00 3.11 3.04 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 64 T 9.04 5.25 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 1.28 0.00 0.00 65 S 8.92 4.68 0.00 4.24 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 66 P 0.00 4.45 0.00 2.25 2.22 0.00 3.91 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 2.03 2.24 0.00 67 R 7.93 4.15 0.00 2.00 1.95 0.00 3.48 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 68 L 9.14 3.93 0.00 1.71 1.75 0.91 0.69 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 69 R 8.00 4.16 0.00 1.98 2.30 0.00 2.69 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 70 A 7.89 4.04 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 71 R 8.02 3.81 0.00 1.98 1.95 0.00 3.12 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.94 0.00 72 Q 8.63 4.00 0.00 2.04 2.15 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 2.36 2.57 0.00 73 T 7.68 3.93 4.60 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 1.51 0.00 0.00 74 V 7.46 2.42 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 0.68 0.00 0.00 0.02 0.00 0.00 75 D 7.49 4.28 0.00 2.80 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 76 L 8.03 4.15 0.00 1.73 1.73 0.93 0.59 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 77 V 8.18 3.79 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 1.34 0.00 0.00 1.21 0.00 0.00 78 L 7.91 4.48 0.00 1.71 1.60 0.86 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 79 K 7.64 3.88 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.67 0.00 0.00 3.12 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.78 1.57 7.81 80 P 0.00 4.36 0.00 1.90 2.11 0.00 3.71 0.00 0.00 3.70 0.00 0.00 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1.76 1.04 0.86 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 98 R 7.55 4.18 0.00 1.95 1.97 0.00 3.06 0.00 0.00 3.41 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.52 0.00 99 E 8.16 4.13 0.00 1.67 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 2.73 2.28 0.00 100 W 8.65 3.99 0.00 3.34 2.42 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.38 4.14 0.00 2.07 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 2.29 2.38 0.00 102 Y 8.62 4.59 0.00 3.37 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 0.00 103 G 7.88 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.75 4.34 0.00 2.20 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 Y 7.43 4.54 0.00 2.80 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.52 0.88 0.89 0.00 0.00 115 E 7.95 3.82 0.00 2.02 1.97 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 2.24 2.28 0.00 116 L 7.93 3.82 0.00 1.70 1.56 0.87 1.23 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 0.00 117 R 7.93 3.80 0.00 1.77 1.92 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.19 0.00 118 K 8.23 3.88 0.00 1.87 1.92 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.43 7.81 119 S 8.13 4.19 0.00 4.02 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 0.00 120 R 7.42 4.40 0.00 1.89 1.98 0.00 3.18 0.00 0.00 3.36 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 121 G 7.91 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 122 L 7.72 4.46 0.00 1.82 1.61 0.96 1.11 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 0.00 123 D 8.52 4.91 0.00 2.86 2.94 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 0.00 124 K 7.55 4.17 0.00 1.76 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.41 7.81 125 E 8.21 4.32 0.00 1.96 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 0.00 2.29 2.36 0.00 126 R 7.38 4.69 0.00 1.96 1.99 0.00 3.00 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 127 P 0.00 4.39 0.00 2.10 2.08 0.00 3.72 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 128 W 8.74 4.47 0.00 3.47 3.14 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 0.00 129 N 8.94 4.29 0.00 2.64 2.54 0.00 0.00 6.66 7.80 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 0.00 130 I 6.90 3.15 0.72 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 -0.30 0.83 -0.47 0.00 0.00 131 W 7.36 4.47 0.00 3.28 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 R 8.14 4.39 0.00 1.98 2.13 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.85 0.00 133 D 8.68 4.86 0.00 2.93 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 0.00 134 G 8.72 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 0.00 0.00 0.00 0.00 135 C 8.38 5.05 0.00 3.08 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 0.00 136 E 8.18 4.05 0.00 1.62 1.74 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 2.39 2.36 0.00 137 N 9.07 4.42 0.00 2.91 2.86 0.00 0.00 6.84 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 0.00 138 G 7.79 4.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.00 4.79 0.00 1.82 1.59 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 2.34 2.20 0.00 140 T 8.93 4.68 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 141 T 8.90 3.91 4.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 142 Q 8.15 4.08 0.00 2.17 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.11 2.30 0.00 143 Q 8.02 3.81 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 144 I 7.06 3.34 0.85 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.82 -0.57 0.00 0.00 145 G 7.85 3.75 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 0.00 0.00 0.00 146 L 7.91 3.55 0.00 0.76 1.44 0.34 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 147 R 7.54 3.89 0.00 2.21 2.08 0.00 2.75 0.00 0.00 3.04 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 148 L 7.93 4.08 0.00 1.70 1.87 0.93 0.84 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 0.00 149 S 8.32 4.06 0.00 4.09 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 0.00 150 R 8.01 3.77 0.00 2.13 1.94 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 151 A 7.87 3.83 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 0.00 152 I 7.98 3.61 1.80 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.16 0.51 0.00 0.00 153 A 7.95 3.86 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 0.00 154 R 7.74 3.76 0.00 1.77 1.75 0.00 2.90 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 155 I 7.65 3.59 2.11 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 1.21 0.27 1.08 0.00 0.00 156 Q 8.44 4.14 0.00 1.95 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 157 N 8.16 4.23 0.00 2.88 2.90 0.00 0.00 7.15 6.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.86 3.86 0.00 1.82 1.54 0.40 0.83 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 0.00 159 H 8.45 4.30 0.00 3.43 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 8.22 3.82 0.00 1.91 2.01 0.00 3.06 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 161 K 8.05 3.97 0.00 1.97 1.86 0.00 1.71 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.64 7.81 162 H 8.42 4.51 0.00 3.26 3.42 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Q 8.54 4.04 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 164 S 7.98 4.21 0.00 4.09 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 0.00 165 E 7.96 4.32 0.00 2.25 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 0.00 2.38 2.47 0.00 166 G 8.07 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.86 4.73 0.00 1.86 1.90 0.00 3.23 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 168 A 8.65 4.22 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 0.00 169 S 8.53 4.56 0.00 4.07 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 0.00 170 D 9.47 5.37 0.00 2.71 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 0.00 171 I 8.76 5.55 2.08 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 2.26 1.33 0.00 0.00 *173 V 8.07 4.37 1.72 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 0.73 0.00 0.00 0.86 0.00 0.00 174 F 9.34 5.15 0.00 3.00 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 0.00 175 A 8.72 4.36 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 0.00 176 H 8.98 5.29 0.00 3.28 3.47 0.00 5.63 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 G 8.89 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 0.00 178 H 9.03 4.52 0.00 3.88 3.69 0.00 5.83 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 0.00 179 A 8.84 4.20 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.71 4.10 0.00 1.84 1.74 0.86 0.58 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 0.00 181 R 8.29 4.29 0.00 2.44 2.34 0.00 3.45 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.00 0.00 182 Y 8.96 4.24 0.00 3.74 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 F 9.09 4.30 0.00 3.40 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 8.83 4.29 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 0.00 0.00 0.00 0.00 0.00 0.00 185 A 8.59 4.15 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 0.00 186 I 8.11 3.70 1.89 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.63 1.05 0.00 0.00 187 W 8.13 4.08 0.00 3.55 3.50 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 0.00 188 F 7.65 4.79 0.00 3.31 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 0.00 189 G 7.57 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 0.00 190 L 6.97 3.95 0.00 1.41 1.33 0.65 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 191 G 8.45 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 0.00 0.00 0.00 192 V 8.13 4.46 1.95 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 0.70 0.00 0.00 0.68 0.00 0.00 193 Q 8.44 4.73 0.00 1.96 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.69 0.00 0.00 0.00 0.00 0.00 2.20 2.25 0.00 194 K 8.71 4.43 0.00 1.50 0.74 0.00 1.51 0.00 0.00 1.52 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.11 1.21 7.81 195 K 8.67 4.46 0.00 1.79 1.69 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.49 7.81 196 C 8.91 4.54 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 0.00 197 E 9.80 4.45 0.00 2.01 1.95 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 2.25 2.42 0.00 198 T 7.95 4.29 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 1.25 0.00 0.00 199 I 8.27 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.05 0.90 0.00 0.00 200 E 8.03 4.00 0.00 1.89 1.96 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 2.29 2.43 0.00 201 E 8.03 3.95 0.00 2.23 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 0.00 2.28 2.36 0.00 202 I 7.44 4.20 1.88 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 1.61 0.55 0.93 0.00 0.00 203 Q 7.12 4.07 0.00 2.08 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.55 2.28 0.00 204 N 8.27 4.70 0.00 2.39 2.55 0.00 0.00 7.36 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 0.00 205 V 8.37 3.82 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 0.79 0.00 0.00 0.96 0.00 0.00 206 K 8.13 3.61 0.00 1.78 1.70 0.00 1.50 0.00 0.00 1.64 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.24 1.38 7.81 207 S 7.66 4.45 0.00 4.25 4.27 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 0.00 208 Y 7.25 5.21 0.00 3.27 3.04 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 0.00 209 D 8.42 4.42 0.00 2.57 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 0.00 210 D 8.10 4.46 0.00 2.88 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 0.00 211 D 8.77 4.69 0.00 2.76 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 0.00 212 T 8.51 4.15 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 1.30 0.00 0.00 213 V 7.69 4.17 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 0.71 0.00 0.00 0.95 0.00 0.00 214 P 0.00 4.43 0.00 2.11 2.05 0.00 3.74 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.14 0.00 215 Y 8.80 4.29 0.00 3.14 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 0.00 216 V 7.36 3.91 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 0.72 0.00 0.00 0.82 0.00 0.00 217 K 8.38 4.13 0.00 1.94 1.76 0.00 1.92 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.47 1.60 7.81 218 L 8.28 4.27 0.00 1.68 1.79 0.94 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 219 E 8.64 4.68 0.00 1.88 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 2.32 2.23 0.00 220 S 7.85 5.33 0.00 3.89 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 0.00 221 Y 9.01 5.00 0.00 2.92 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 0.00 222 R 8.90 5.15 0.00 1.77 1.82 0.00 3.13 0.00 0.00 3.35 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 223 H 8.85 5.40 0.00 3.53 3.59 0.00 5.50 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 L 9.05 4.64 0.00 1.49 1.62 0.28 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 225 V 7.85 4.52 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 0.78 0.00 0.00 0.91 0.00 0.00 226 D 7.48 4.50 0.00 2.54 2.38 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 0.00 227 N 8.37 3.14 0.00 2.53 2.47 0.00 0.00 6.99 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 P 0.00 3.67 0.00 0.52 1.34 0.00 2.20 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.94 0.00 229 C 7.55 3.56 0.00 2.98 2.98 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 0.00 230 F 7.51 5.34 0.00 2.94 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 0.00 231 L 8.16 4.79 0.00 1.61 1.57 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 232 L 8.06 4.11 0.00 1.57 1.59 0.82 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 233 D 8.47 4.57 0.00 2.73 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 0.00 234 A 8.41 4.17 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 G 8.72 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 0.00 0.00 0.00 236 G 8.30 3.85 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 0.00 0.00 0.00 237 I 8.21 4.94 1.77 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 1.12 0.78 0.80 0.00 0.00 238 G 8.86 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 0.00 0.00 0.00 0.00 239 V 7.81 4.70 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 0.86 0.00 0.00 0.78 0.00 0.00 240 L 8.52 4.74 0.00 0.27 0.13 0.66 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 241 S 8.80 4.19 0.00 3.73 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 0.00 242 Y 8.48 5.43 0.00 2.88 3.04 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 0.00 243 A 9.28 4.22 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 0.00 244 H 9.04 4.12 0.00 3.36 3.42 0.00 5.87 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 245 H 8.39 4.01 0.00 3.29 3.37 0.00 5.64 0.00 0.00 0.00 0.00 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 246 N 8.07 4.86 0.00 2.88 2.92 0.00 0.00 7.25 7.30 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 0.00 247 I 8.21 2.87 1.68 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.69 0.70 0.00 0.00 248 D 8.28 4.60 0.00 2.82 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 0.00 249 E 8.38 4.99 0.00 2.22 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 0.00 2.26 2.27 0.00 250 P 0.00 4.91 0.00 1.83 1.51 0.00 3.83 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.73 0.00 251 A 9.30 4.84 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 0.00 252 L 7.95 4.43 0.00 0.77 0.64 0.56 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 253 E 8.49 4.12 0.00 2.02 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 2.23 2.33 0.00 254 L 8.56 3.84 0.00 1.58 1.62 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 255 A 8.41 4.25 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 0.00 256 G 7.20 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 257 P 0.00 4.25 0.00 1.92 2.01 0.00 3.60 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 1.67 1.80 0.00 258 F 7.60 3.11 0.00 2.70 2.94 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 0.00 259 V 6.65 4.26 1.95 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 0.69 0.00 0.00 0.92 0.00 0.00 260 S 8.26 4.12 0.00 3.85 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 0.00 261 P 0.00 4.27 0.00 2.03 1.97 0.00 3.71 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 2.06 2.08 0.00 262 P 0.00 4.43 0.00 2.16 2.04 0.00 3.73 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 263 E 8.59 4.08 0.00 1.95 1.87 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 2.29 2.31 0.00 * Residues marked with a * may have inaccurate shift predictions.