NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.4729 8.2876 120.1748 56.6268 31.3773 174.5613 4 T 4.8995 8.4577 113.6622 59.8073 71.3683 172.1482 5 A 4.7798 8.2372 124.2319 49.5049 21.9334 175.7317 6 P 4.5045 0.0000 0.0000 61.9032 33.4165 175.5126 7 L 4.5947 8.3645 123.0996 55.1436 42.6528 176.1395 8 R 4.5976 9.0414 125.9632 54.4579 33.6384 173.7072 9 V 4.5046 8.4713 125.4389 61.2302 33.9690 174.3296 10 Q 4.7309 9.0661 127.6923 53.7434 31.5663 174.7762 11 L 4.4458 8.9294 127.3798 55.2287 42.0603 176.1886 12 I 4.4968 8.4377 119.6337 61.0160 39.4493 175.5176 13 A 4.7486 7.5356 123.3309 51.0243 22.3806 175.0904 14 K 5.1332 8.1536 118.5718 55.8252 36.0793 175.5505 15 T 4.1000 8.5011 117.4551 63.6823 69.1300 173.6531 16 D 4.9232 8.7446 125.4727 52.5886 42.9091 174.6961 17 F 4.9300 8.9465 128.4667 56.2610 41.4248 174.3550 18 L 4.1550 7.6843 126.9434 52.4155 43.5704 175.7199 19 A 3.4800 7.7831 129.1018 51.4123 19.1828 174.9005 20 P 4.3007 0.0000 0.0000 61.4416 32.0770 175.9134 21 P 4.1927 0.0000 0.0000 65.7461 31.3504 176.8576 22 D 4.6041 7.9267 114.6928 54.1795 40.8993 175.7276 23 V 3.9277 7.4205 120.7420 60.5728 32.5748 175.2714 24 P 4.6662 0.0000 0.0000 60.7178 29.7260 174.8170 25 W 5.1642 7.5858 131.2189 57.1938 34.0345 173.1421 26 T 3.7249 7.3060 113.3915 60.4732 71.4690 171.8897 27 T 4.2343 7.1428 114.5012 61.3929 69.8758 171.5131 28 D 4.7603 8.4098 121.0539 53.0439 39.9275 175.7792 29 A 4.7299 7.6439 120.7351 51.8673 22.3724 175.0059 30 D 5.0442 7.9956 117.9491 52.3140 43.3562 176.3807 31 G 3.8789 8.8623 106.1368 46.2240 0.0000 174.7399 32 G 3.8285 8.8829 105.8599 47.0579 0.0000 173.5217 33 P 4.4608 0.0000 0.0000 65.2202 31.3874 178.6037 34 A 4.0654 7.9342 119.2471 54.8421 18.3755 179.2173 35 L 3.1617 7.3775 118.8721 57.9677 42.1581 179.2913 36 V 3.6654 7.9369 118.2800 66.0691 31.3321 177.6467 37 E 4.0597 8.0826 118.8631 59.1752 29.4466 178.2402 38 F 3.3333 8.0798 120.4743 61.2230 39.1137 176.9855 39 A 4.0113 8.0221 118.8165 54.9759 18.0106 179.4104 40 G 3.8993 8.2015 104.2066 48.3335 0.0000 176.2026 41 R 3.7816 7.9490 120.5068 58.2972 29.3786 178.8456 42 A 3.3760 7.5673 121.0823 55.1427 18.0080 179.3878 43 C 3.8166 7.2169 113.7650 62.0214 28.1286 174.7995 44 Y 4.5184 6.9978 114.2183 56.3817 39.0294 175.1571 45 Q 2.5200 6.9067 117.2190 56.4391 27.6576 174.8423 46 S 4.4283 6.7827 109.4208 57.2090 62.3634 174.4328 47 W 4.7465 7.4737 121.9673 60.2420 29.8075 178.2685 48 S 4.4953 8.1537 112.0900 58.3284 63.2213 174.4461 49 K 4.6444 8.2685 122.3672 53.9920 32.0599 173.9350 50 P 4.2568 0.0000 0.0000 65.1138 32.3333 177.1134 51 N 4.5292 8.0291 118.5707 52.0054 37.9407 173.2814 52 P 4.3786 0.0000 0.0000 65.2412 31.7226 177.9976 53 K 4.4037 7.9501 119.0851 55.1662 32.0541 182.2318 54 T 4.6928 7.8324 106.6619 62.3177 69.2003 174.6183 55 A 4.3345 8.1541 123.4403 53.6462 19.4378 179.0867 56 T 4.5337 7.5291 107.2663 60.6208 71.4772 175.2703 57 N 4.8050 9.9077 122.4430 56.5356 39.1222 177.1163 58 A 4.1581 8.2244 121.8727 55.2907 18.4382 179.7154 59 G 3.5818 8.1844 104.0633 48.0003 0.0000 175.3316 60 Y 3.9973 8.0356 121.6762 60.5197 38.6618 178.1911 61 L 4.1105 8.3627 121.3721 58.3684 41.7607 180.1092 62 R 4.0598 7.8560 119.8025 61.6002 29.6220 180.2390 63 H 4.3962 8.1104 119.3578 59.0316 29.8269 177.2036 64 I 3.3941 7.3572 119.7456 62.9599 37.2336 177.0728 *66 D 4.4481 7.8996 120.6064 54.2970 42.4332 177.0334 67 V 3.5796 7.5724 116.8359 63.5274 31.6981 176.5623 68 G 3.2157 7.9222 109.1073 47.3228 0.0000 175.3171 *69 H 4.5433 7.5141 119.5891 55.4734 24.7570 179.1277 70 F 4.5372 7.5911 124.1819 60.3873 39.4800 177.6007 71 S 4.2469 8.3226 114.0676 61.4245 62.0077 176.8146 72 V 3.7975 7.7194 122.6573 64.5215 31.0032 178.1947 73 L 4.3186 8.1046 119.3418 57.1412 41.2303 178.7034 74 E 4.4225 7.9593 117.5031 58.8426 29.4260 178.3553 75 H 4.3207 7.8135 114.7350 56.7390 29.3425 174.9930 76 A 4.7594 7.1131 121.7386 49.9209 21.1282 176.1521 77 S 5.3385 8.7365 115.6913 56.6150 67.2741 173.0669 78 V 4.6976 9.0891 119.1408 61.4711 35.1913 173.8499 79 S 5.3713 9.0060 122.7883 56.7748 66.1521 173.0748 80 F 5.3465 9.2201 121.9677 55.8833 42.7096 173.5201 81 Y 5.2882 9.3544 123.8181 56.3974 40.5875 174.1893 82 I 4.8691 8.7441 128.5594 59.7009 39.8872 175.0316 83 T 4.4892 8.3534 116.5623 59.3587 72.5747 173.6252 84 G 4.5121 9.2883 106.8285 46.4237 0.0000 173.1068 85 I 4.6118 7.0318 118.6924 58.3587 40.6145 175.1535 86 S 4.9161 9.1127 123.0101 57.7406 65.3311 175.7327 87 R 4.0295 8.4899 122.7762 58.8068 29.4400 179.6620 88 S 4.1230 7.9858 113.8728 61.3753 62.8763 176.2095 89 C 4.1550 8.0610 122.4056 62.5812 31.3212 175.7362 90 T 3.8270 8.0728 111.4146 64.9577 68.0726 175.8712 91 H 4.1258 8.2787 120.5016 58.8822 30.0970 176.8797 92 E 4.1765 7.8788 120.3000 59.1065 29.5455 178.4437 93 L 4.2405 8.1551 120.8501 58.3768 41.9546 178.6894 94 I 3.5047 7.4716 111.2202 61.7148 37.6910 177.6112 95 R 4.2740 7.7674 119.6068 57.6821 30.2995 176.0886 96 H 4.4580 8.1911 117.4144 55.2818 28.2732 176.0765 97 R 4.3223 8.4206 123.6884 57.5937 30.5123 177.0295 98 H 4.7090 7.8486 114.1504 55.5744 28.7994 174.4386 99 F 5.1372 7.1500 116.9844 56.0492 41.3232 175.1969 100 S 4.6450 8.4591 116.4936 57.0471 65.5456 173.0748 101 Y 5.3942 8.2614 119.3983 56.4449 42.3516 174.6479 102 S 4.7272 9.3092 118.1552 56.9934 66.6123 172.7666 103 Q 5.1000 8.7100 125.7139 53.4707 31.7534 174.4687 104 L 3.8885 8.5827 127.2138 55.9934 42.7016 176.2533 105 S 4.6020 8.7486 120.7537 56.9096 63.4267 174.6970 106 Q 4.2417 8.5655 126.7180 58.5002 28.9929 177.7114 107 R 4.0447 7.8779 116.3800 58.6773 30.2601 176.9696 108 Y 4.7154 7.6237 113.6950 58.3429 39.0390 175.8185 109 V 4.3139 7.8658 119.9490 60.0136 32.6021 173.5180 110 P 4.3599 0.0000 0.0000 63.8367 31.8923 175.8098 111 E 4.4955 8.8999 123.0790 56.5822 29.7862 178.7703 112 K 4.0447 8.3574 122.9994 57.2021 31.7401 181.1306 113 D 4.9869 7.8306 115.4284 53.9201 41.2878 176.4830 114 S 4.2075 7.6187 113.9701 58.5334 63.6338 174.0344 115 R 4.6105 8.2037 121.0519 55.3924 32.6172 175.0104 116 V 4.7766 8.6513 120.0372 61.2407 34.6271 174.2352 117 V 4.5643 8.8004 127.2521 61.0357 32.8998 175.3886 118 V 3.8437 8.3478 128.2996 61.3407 31.9804 173.7859 119 P 4.2961 0.0000 0.0000 62.2888 31.7027 174.3878 120 P 4.3211 0.0000 0.0000 65.9642 31.3222 178.7471 121 G 3.7143 7.9101 103.1079 46.1239 0.0000 173.9342 *123 E 4.3371 8.2267 121.4866 55.5867 31.2563 176.4944 124 D 4.6759 8.0453 115.0462 52.9180 39.8978 176.1615 125 D 4.7079 7.6490 119.2717 52.2866 42.8592 175.5645 126 A 4.0198 8.4338 129.9478 54.9983 18.4707 178.4203 127 D 4.2647 8.0929 116.0971 57.5361 41.4346 178.3008 128 L 4.0059 8.2180 119.4894 57.9507 41.5323 179.7425 129 R 3.9572 8.1566 118.0020 59.4309 29.8981 178.6602 130 H 4.1622 8.3089 119.4605 58.6547 29.8755 177.3456 131 I 3.6887 7.7980 121.7200 64.2085 36.8511 178.0001 132 L 3.9325 7.9121 121.2818 58.5821 42.0783 179.2804 133 T 3.8567 8.1794 109.8763 64.6124 68.6733 176.3349 134 E 3.9749 8.3227 121.3552 59.2733 29.5151 179.1266 135 A 4.0036 8.1525 120.5414 54.9288 18.3147 179.6039 136 A 3.8797 8.3257 119.6537 55.4697 18.5363 179.5028 137 D 4.2738 8.2480 117.2816 57.5204 40.8421 179.0256 138 A 3.9918 8.1556 120.9331 54.9862 18.3823 179.4477 139 A 3.9423 7.9723 119.3262 55.4193 18.4462 179.8271 140 R 3.8615 8.2317 117.0459 59.4254 30.0371 178.5349 141 A 4.0247 8.1491 120.5370 55.5612 18.4220 179.6744 142 T 3.8129 8.1269 114.3130 66.8982 68.4619 176.0744 143 Y 4.0799 8.5560 121.7544 61.0524 38.7091 178.5629 144 S 4.0903 8.5071 116.0724 61.3218 62.7745 176.2583 145 E 3.8920 8.4794 122.3607 59.3628 29.4250 178.9522 146 L 3.9277 8.3037 119.3896 57.5776 41.5541 179.0025 147 L 3.7286 7.8889 120.1438 58.0647 41.5469 178.5731 148 A 4.1110 7.6999 120.2391 55.5748 18.1939 179.8512 149 K 4.0153 7.8453 115.9773 58.9182 32.0421 179.5878 150 L 3.7391 7.7938 119.6786 57.3531 41.5365 178.9257 151 E 4.0733 8.3402 117.7306 59.1755 29.5993 179.1630 152 A 4.0955 7.6038 119.7541 55.0467 18.4034 179.5389 153 K 3.7761 7.3386 116.5905 58.5540 32.2558 177.5781 154 F 5.2621 7.7900 117.9584 57.3165 40.2166 177.7830 155 A 4.0861 7.9985 123.1457 55.1812 18.3012 178.5733 156 D 4.3559 8.2746 116.4736 57.2912 41.0951 176.6510 157 Q 4.1840 7.7211 120.5585 54.9066 28.8602 174.0506 158 P 4.2982 0.0000 0.0000 64.7175 31.9676 176.6651 159 N 4.5890 8.0285 117.0718 52.5910 39.7856 175.2185 160 A 4.1088 8.5420 130.7646 55.1107 18.7254 179.1791 161 I 3.6863 7.7925 117.9949 64.6081 37.2254 178.5248 162 L 4.0289 8.0722 119.4847 57.6459 41.5504 179.3965 163 R 3.8601 8.4401 119.1911 59.6611 29.9446 178.8549 164 R 4.0487 7.9975 117.4408 58.8411 29.9596 178.9643 165 K 4.0269 8.0255 119.2501 59.5245 32.0089 178.9178 166 Q 3.8506 8.3131 118.3738 58.7745 28.4421 178.8103 167 A 4.2750 8.0173 121.2926 55.2349 18.4400 179.6385 168 R 3.8114 8.2003 117.6065 59.6630 29.9918 178.7462 169 Q 3.9838 8.2126 116.1025 59.0291 28.7430 178.1982 170 A 4.1588 7.8120 121.2383 54.9950 18.4889 179.4016 171 A 3.9291 8.3347 119.9078 55.1136 18.1286 179.7369 172 R 4.1458 8.3043 113.9205 59.4806 29.2080 178.2695 173 A 4.2984 7.8433 120.8973 54.2014 19.1563 178.0722 174 V 3.8454 7.3139 111.3831 59.3999 30.5221 173.6375 *176 P 4.2311 0.0000 0.0000 61.8191 32.7594 177.9071 177 N 4.1847 8.7361 115.6513 56.8550 38.5520 176.5522 178 A 4.3591 7.8916 117.1855 52.8366 19.7251 177.6129 179 T 4.1680 7.7989 113.3755 63.9554 69.4987 173.4567 180 E 4.3309 8.7855 127.6144 56.7924 30.2875 175.4382 181 T 4.8362 8.9923 119.8006 60.5932 72.0306 172.2021 182 R 4.9865 8.2456 120.4261 54.6575 34.8477 174.4284 183 I 5.0513 8.5164 121.9253 59.8809 42.2408 173.4271 184 V 4.7525 9.2867 130.1889 62.1517 32.9710 174.5983 185 V 4.8067 8.9425 127.8393 61.3809 34.3417 174.1237 186 T 5.1091 8.6130 124.2903 61.8189 71.7386 173.3468 187 G 4.5203 9.0962 112.1081 44.7014 0.0000 172.2313 188 N 5.4641 8.7769 118.9066 51.8910 38.5582 175.7863 189 Y 4.9677 8.7946 116.3117 61.4788 37.7852 179.0065 190 R 4.0745 8.4467 118.9533 59.6285 30.2048 178.3420 191 A 3.9780 8.5504 120.4744 54.7494 18.2177 179.6769 192 W 4.6839 8.6958 117.6853 60.1079 29.1261 178.7840 193 R 4.3214 8.7427 118.1393 59.8105 29.3961 178.5039 194 H 4.1629 8.1102 116.3381 59.2299 29.9295 176.5375 195 F 4.2353 8.2726 121.2398 61.4498 39.4457 176.7856 196 I 3.6366 8.3771 119.3307 64.2198 36.6370 178.4021 197 A 4.1496 7.8119 116.4429 53.8646 18.5401 178.2560 *199 R 4.1091 7.9671 119.7855 56.8475 32.1884 175.8496 200 A 4.7638 7.9485 121.4152 52.6278 19.2061 176.7379 201 S 5.0707 7.5855 113.4037 57.1734 66.1184 174.7532 202 E 3.9882 8.5806 119.0366 59.5768 29.3855 178.1910 203 H 4.3289 7.6655 115.6978 57.9652 29.0115 175.8056 204 A 4.2759 7.6225 121.7995 51.0093 19.2433 177.1626 205 D 4.4249 8.5786 119.0720 54.9432 43.0097 178.4369 206 V 3.6127 8.4158 118.6716 64.2761 31.5353 178.6310 207 E 3.8784 8.5242 119.2457 59.4398 29.5654 178.7778 208 I 3.8043 7.6953 118.1557 63.7179 38.0913 177.5493 209 R 4.2655 8.0891 121.3137 58.7938 29.8474 178.3013 210 R 3.8245 8.0105 118.4062 59.3572 30.0613 178.0585 211 L 3.8842 7.8974 119.7211 58.2520 42.0342 178.8255 212 A 4.1796 8.3551 120.9960 55.3364 18.2802 179.6933 213 I 3.5577 7.7425 118.3516 64.3544 37.0406 178.3473 214 E 3.8593 7.9570 119.9586 59.1968 29.4718 178.5689 215 C 3.3349 7.9001 116.7937 62.3447 28.1232 175.5567 216 L 3.6081 7.8394 122.0124 58.4368 41.4812 179.2120 217 R 3.8875 7.8423 117.5863 59.4712 29.9933 179.1238 218 Q 4.0780 7.7569 117.3188 58.6610 28.7300 178.4446 219 L 3.6213 8.1503 120.1697 57.6342 41.3766 179.4821 220 A 4.0665 8.4028 120.6300 54.9620 18.0054 179.5722 221 A 3.9692 7.3836 117.5409 55.1514 18.5324 179.7349 222 V 3.8194 7.4047 115.4167 64.8572 33.1032 176.5499 223 A 4.7561 8.2862 121.0574 49.1939 19.3284 173.9335 224 P 4.6126 0.0000 0.0000 64.2554 32.1034 179.1661 225 A 4.0295 8.0758 118.7456 55.1233 18.5433 178.9057 226 V 3.5752 7.8760 114.4839 65.1040 31.8944 176.4089 227 F 4.9590 7.9374 115.7029 56.9042 40.0774 177.0136 228 A 4.1700 8.3112 124.7186 55.0591 18.6014 178.8714 229 D 4.4180 8.0904 114.6993 55.5341 39.7260 175.7379 230 F 4.9343 7.9226 119.4900 57.0578 39.9148 174.8518 231 E 4.7505 9.3646 123.9839 54.4151 31.9301 175.6270 232 V 4.3712 8.4984 124.9475 63.0696 32.8441 175.2878 233 T 4.7313 9.0175 123.3655 62.1785 72.7438 172.8871 234 T 4.7915 8.5210 122.5724 62.5384 69.8343 175.0909 235 L 4.3247 9.1706 126.7261 53.3859 42.9428 177.6015 236 A 4.0360 8.6348 122.9604 55.5629 18.0807 178.3852 237 D 4.5226 8.0346 111.8773 53.5087 39.8428 177.3235 238 G 3.9303 8.5369 109.5144 45.6299 0.0000 174.1139 239 T 4.2582 7.9391 110.2504 61.1842 69.9191 173.0661 240 E 5.1208 8.3970 121.4335 54.7680 31.6957 175.5962 241 V 4.7139 8.9783 122.8324 61.0560 35.3894 173.9546 242 A 5.3380 8.9852 125.7679 50.6702 21.7975 175.7290 243 T 4.8414 8.8628 117.3172 61.7293 73.5044 174.4867 244 S 4.8634 8.3894 116.1491 57.5777 62.6195 173.7776 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 E 8.29 4.47 0.00 1.93 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 2.29 2.31 0.00 4 T 8.46 4.90 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 5 A 8.24 4.78 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 6 P 0.00 4.50 0.00 2.11 2.16 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 7 L 8.36 4.59 0.00 1.62 1.59 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 8 R 9.04 4.60 0.00 1.83 1.62 0.00 3.08 0.00 0.00 3.08 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 9 V 8.47 4.50 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 0.33 0.00 0.00 0.76 0.00 0.00 10 Q 9.07 4.73 0.00 2.17 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 11 L 8.93 4.45 0.00 1.90 1.57 0.75 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 12 I 8.44 4.50 1.86 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 1.31 0.79 1.05 0.00 0.00 13 A 7.54 4.75 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 14 K 8.15 5.13 0.00 1.75 1.72 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.75 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.34 7.81 15 T 8.50 4.10 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 1.28 0.00 0.00 16 D 8.74 4.92 0.00 2.66 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 17 F 8.95 4.93 0.00 3.08 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 18 L 7.68 4.16 0.00 1.39 1.25 0.81 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 19 A 7.78 3.48 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 20 P 0.00 4.30 0.00 2.10 1.86 0.00 3.43 0.00 0.00 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.74 0.00 21 P 0.00 4.19 0.00 1.99 2.08 0.00 3.59 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 1.97 2.05 0.00 22 D 7.93 4.60 0.00 2.60 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 23 V 7.42 3.93 2.04 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 -0.64 0.00 0.00 0.72 0.00 0.00 24 P 0.00 4.67 0.00 2.30 2.10 0.00 3.45 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.00 0.00 25 W 7.59 5.16 0.00 3.56 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 26 T 7.31 3.72 3.93 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 1.06 0.00 0.00 27 T 7.14 4.23 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 1.22 0.00 0.00 28 D 8.41 4.76 0.00 2.82 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 29 A 7.64 4.73 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.00 5.04 0.00 2.86 2.73 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 31 G 8.86 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 0.00 0.00 0.00 32 G 8.88 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 33 P 0.00 4.46 0.00 2.28 2.26 0.00 3.92 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.39 0.00 34 A 7.93 4.07 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 35 L 7.38 3.16 0.00 1.61 1.73 1.10 0.97 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 36 V 7.94 3.67 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 1.10 0.00 0.00 1.16 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.47 0.00 0.00 0.00 0.00 0.00 2.19 2.42 0.00 46 S 6.78 4.43 0.00 3.92 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 47 W 7.47 4.75 0.00 3.41 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 48 S 8.15 4.50 0.00 4.06 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 49 K 8.27 4.64 0.00 1.76 1.80 0.00 1.94 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.45 1.76 7.81 50 P 0.00 4.26 0.00 2.19 2.20 0.00 3.80 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 2.00 1.97 0.00 51 N 8.03 4.53 0.00 2.83 2.79 0.00 0.00 6.98 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 52 P 0.00 4.38 0.00 2.22 2.17 0.00 3.81 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 53 K 7.95 4.40 0.00 1.79 1.74 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 0.98 7.81 54 T 7.83 4.69 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 1.21 0.00 0.00 55 A 8.15 4.33 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 56 T 7.53 4.53 4.41 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 1.24 0.00 0.00 57 N 9.91 4.81 0.00 2.98 2.93 0.00 0.00 6.98 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 58 A 8.22 4.16 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 59 G 8.18 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Y 8.04 4.00 0.00 3.33 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 61 L 8.36 4.11 0.00 1.85 1.78 1.05 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.75 4.60 0.00 3.84 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 0.00 106 Q 8.57 4.24 0.00 2.07 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.86 0.00 0.00 0.00 0.00 0.00 2.50 2.36 0.00 107 R 7.88 4.04 0.00 1.22 1.73 0.00 3.07 0.00 0.00 2.95 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.49 0.00 108 Y 7.62 4.72 0.00 3.01 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 0.00 109 V 7.87 4.31 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 0.83 0.00 0.00 1.03 0.00 0.00 110 P 0.00 4.36 0.00 2.14 2.10 0.00 3.76 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 111 E 8.90 4.50 0.00 1.16 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 2.32 2.17 0.00 112 K 8.36 4.04 0.00 1.77 1.74 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 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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 0.00 131 I 7.80 3.69 2.01 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 1.43 0.76 0.91 0.00 0.00 132 L 7.91 3.93 0.00 1.76 1.83 0.91 0.78 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 0.00 133 T 8.18 3.86 4.19 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 1.23 0.00 0.00 134 E 8.32 3.97 0.00 2.14 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 2.29 2.44 0.00 135 A 8.15 4.00 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 0.00 136 A 8.33 3.88 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 0.00 137 D 8.25 4.27 0.00 2.84 2.73 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 0.00 138 A 8.16 3.99 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 0.00 139 A 7.97 3.94 1.47 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 0.00 0.00 140 R 8.23 3.86 0.00 2.05 1.95 0.00 3.20 0.00 0.00 3.10 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 141 A 8.15 4.02 1.42 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 0.00 142 T 8.13 3.81 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 1.24 0.00 0.00 143 Y 8.56 4.08 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 0.00 144 S 8.51 4.09 0.00 4.10 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 0.00 145 E 8.48 3.89 0.00 2.12 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 0.00 2.28 2.34 0.00 146 L 8.30 3.93 0.00 1.73 1.61 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 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0.00 0.00 3.47 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 164 R 8.00 4.05 0.00 2.18 2.00 0.00 3.21 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.77 0.00 165 K 8.03 4.03 0.00 2.04 1.97 0.00 1.71 0.00 0.00 1.79 0.00 0.00 3.35 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.49 1.81 7.81 166 Q 8.31 3.85 0.00 1.94 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.09 2.35 0.00 167 A 8.02 4.28 1.47 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 0.00 0.00 168 R 8.20 3.81 0.00 2.15 2.01 0.00 3.40 0.00 0.00 3.35 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.84 0.00 169 Q 8.21 3.98 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.75 0.00 0.00 0.00 0.00 0.00 2.66 2.39 0.00 170 A 7.81 4.16 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 0.00 171 A 8.33 3.93 1.01 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 0.00 0.00 0.00 0.00 0.00 *199 R 7.97 4.11 0.00 1.16 1.69 0.00 3.25 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.00 0.00 200 A 7.95 4.76 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 0.00 201 S 7.59 5.07 0.00 3.96 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 0.00 202 E 8.58 3.99 0.00 2.03 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 2.07 2.06 0.00 203 H 7.67 4.33 0.00 3.14 3.38 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 A 7.62 4.28 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 0.00 0.00 0.00 0.00 0.00 205 D 8.58 4.42 0.00 2.72 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 0.00 206 V 8.42 3.61 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 0.92 0.00 0.00 207 E 8.52 3.88 0.00 2.04 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 2.31 2.30 0.00 208 I 7.70 3.80 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.56 0.94 0.00 0.00 209 R 8.09 4.27 0.00 1.98 2.03 0.00 3.17 0.00 0.00 3.34 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 210 R 8.01 3.82 0.00 2.01 2.10 0.00 3.13 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 211 L 7.90 3.88 0.00 1.85 1.94 0.88 1.22 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 0.00 212 A 8.36 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 I 7.74 3.56 1.82 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.22 0.93 0.00 0.00 214 E 7.96 3.86 0.00 1.97 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 2.19 2.19 0.00 215 C 7.90 3.33 0.00 3.07 2.34 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 0.00 216 L 7.84 3.61 0.00 1.60 1.82 0.89 1.23 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 0.00 217 R 7.84 3.89 0.00 1.96 1.92 0.00 3.13 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 218 Q 7.76 4.08 0.00 2.08 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 219 L 8.15 3.62 0.00 0.96 0.13 0.25 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 220 A 8.40 4.07 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 0.00 221 A 7.38 3.97 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 0.00 222 V 7.40 3.82 2.22 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 0.91 0.00 0.00 0.91 0.00 0.00 223 A 8.29 4.76 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 0.00 224 P 0.00 4.61 0.00 2.24 2.19 0.00 3.95 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 225 A 8.08 4.03 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 226 V 7.88 3.58 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.07 0.00 0.00 0.95 0.00 0.00 227 F 7.94 4.96 0.00 3.18 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 0.00 228 A 8.31 4.17 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 0.00 229 D 8.09 4.42 0.00 2.67 2.86 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 0.00 230 F 7.92 4.93 0.00 3.24 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 0.00 231 E 9.36 4.75 0.00 1.86 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 2.25 2.37 0.00 232 V 8.50 4.37 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 0.80 0.00 0.00 0.95 0.00 0.00 233 T 9.02 4.73 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 1.21 0.00 0.00 234 T 8.52 4.79 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 1.26 0.00 0.00 235 L 9.17 4.32 0.00 1.84 1.58 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 236 A 8.63 4.04 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 0.00 237 D 8.03 4.52 0.00 2.77 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 0.00 238 G 8.54 3.93 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 0.00 0.00 0.00 239 T 7.94 4.26 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 1.24 0.00 0.00 240 E 8.40 5.12 0.00 1.83 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 2.21 2.26 0.00 241 V 8.98 4.71 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 1.04 0.00 0.00 0.90 0.00 0.00 242 A 8.99 5.34 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 243 T 8.86 4.84 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 1.23 0.00 0.00 244 S 8.39 4.86 0.00 2.73 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 * Residues marked with a * may have inaccurate shift predictions.