NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 K 4.5659 8.1614 119.9931 56.1353 34.7858 177.1637 4 G 4.1012 7.9296 109.2544 47.3181 0.0000 172.4799 5 E 4.1673 9.0359 121.6060 59.2341 29.6830 177.4290 6 E 4.1050 7.7555 116.9264 58.7771 29.5583 178.4812 7 L 4.0851 7.6132 117.0606 55.5765 40.5021 177.2947 8 F 4.9273 7.9015 117.2668 57.2825 39.6082 177.2885 9 T 4.0687 8.1718 112.4732 63.4889 69.0691 173.6810 10 G 4.3100 7.1439 110.0202 43.7288 0.0000 171.1916 11 V 4.1058 8.4657 120.0396 62.7427 32.2617 176.6181 12 V 4.5426 8.7048 128.2790 60.3775 34.0273 173.0643 13 P 4.7999 0.0000 0.0000 62.6810 32.8738 175.2304 14 I 5.0881 8.7424 124.0462 59.4832 40.9425 174.4940 15 L 5.1764 8.8064 124.9355 52.9147 45.4043 175.5775 16 V 4.9321 8.8636 123.6122 61.1367 34.7543 174.0273 17 E 5.1751 9.4553 126.7428 54.6038 33.2976 174.3277 18 L 5.3042 9.3163 126.5087 53.2775 45.9598 174.6207 19 D 5.1084 8.9534 124.9859 52.4741 43.7810 175.3481 20 G 4.0277 8.7119 110.0377 43.8810 0.0000 171.3582 21 D 4.9865 8.0994 119.7445 53.1389 44.2439 174.1205 22 V 4.6361 8.8069 127.3548 61.3156 33.9803 174.9957 23 N 4.4139 10.3235 125.9252 54.2784 36.6030 175.8439 24 G 3.8571 8.5320 106.6176 45.4474 0.0000 174.3738 25 H 4.5646 8.2206 117.9216 54.7102 27.9924 174.2531 26 K 5.0582 8.4473 124.6394 55.9253 33.0305 176.5240 27 F 5.0860 8.7827 118.1633 56.0752 42.0201 173.1494 28 S 5.1504 9.0592 114.7121 56.9188 67.3089 173.3626 29 V 5.0979 9.0473 122.9393 61.3181 34.9708 174.1641 30 S 5.2417 9.3728 123.5194 56.7192 65.7904 173.3464 31 G 4.3816 9.6634 111.8940 44.4534 0.0000 171.4375 32 E 5.0514 9.0243 121.0103 53.9616 34.3003 176.2748 33 G 3.6611 7.4343 107.6140 46.3244 0.0000 171.1264 34 E 4.9397 7.8861 117.5550 55.0389 33.5956 174.7614 35 G 3.5191 8.6484 107.1397 44.4340 0.0000 171.3469 36 D 5.3594 9.4321 121.9949 51.6289 42.1555 175.5687 37 A 4.4779 9.1101 128.1047 54.9920 18.9068 180.1232 38 T 3.7571 7.9891 111.6065 66.1171 67.8959 174.5167 39 Y 4.6934 7.9377 116.7261 56.8082 38.8830 176.1731 40 G 4.6106 8.0609 108.1026 46.2950 0.0000 172.8455 41 K 4.4599 7.5558 121.1497 54.7589 34.0963 175.1769 42 L 4.8936 8.3168 128.1286 53.6244 45.7138 174.9190 43 T 4.9166 8.7189 122.3997 61.7876 71.8999 173.0077 44 L 4.8129 8.8293 125.8926 52.6236 46.7874 175.3398 45 K 4.5200 8.5094 123.7003 54.5509 34.9285 174.6262 46 F 5.3306 8.8283 126.4270 55.7985 41.9024 174.8247 47 I 5.1174 8.8641 122.8454 59.6985 40.8953 174.1324 48 C 5.1029 9.4861 128.1928 58.9500 31.7396 174.1982 49 T 3.9562 8.7980 117.4799 63.3113 68.8975 175.4807 50 T 4.4268 8.1994 111.0204 61.1115 70.6523 173.4827 51 G 4.1683 6.6284 108.9471 44.6822 0.0000 176.6988 52 K 4.3157 8.5999 125.2404 55.1751 32.5996 175.9921 53 L 3.7309 8.8339 126.8011 54.0192 42.0843 175.0536 54 P 4.3151 0.0000 0.0000 63.5939 31.7919 176.1785 55 V 4.1126 6.3964 111.2385 58.4754 35.4084 173.4978 56 P 4.4153 0.0000 0.0000 62.0327 32.1895 177.6278 57 W 4.4597 9.1246 122.1937 59.9487 28.8890 177.1126 58 P 4.6472 0.0000 0.0000 65.6770 30.5787 178.4855 59 T 4.2945 7.8654 107.1646 63.7165 69.0126 175.4591 60 L 4.3191 7.8575 120.6772 54.2895 41.9667 178.1431 61 V 3.6203 7.5173 119.4037 66.4429 31.5316 177.7219 62 T 4.1392 7.9864 107.3331 65.0668 68.7046 176.1578 63 T 4.1209 7.7220 117.4844 66.0650 69.5686 176.7449 64 F 4.8315 7.6768 119.7588 56.9458 38.0717 176.9370 *68 V 4.0695 7.3497 110.7954 61.7195 32.9443 177.4109 69 Q 3.9380 7.6811 115.5184 57.1720 28.7899 178.5679 70 C 4.0940 7.7263 112.7138 59.6737 30.2917 174.0574 71 F 4.6066 7.8642 119.2495 57.4972 38.8664 175.5631 72 S 4.6424 7.5522 117.4540 58.4660 63.6934 174.1337 73 R 4.4113 9.0741 125.0794 55.9659 30.8335 174.7984 74 Y 4.6096 8.5641 125.3497 55.6428 38.9504 174.3858 75 P 4.3626 0.0000 0.0000 62.4261 32.5875 176.7360 76 D 4.4169 9.0572 120.4652 58.1785 40.7466 178.6377 77 H 4.5153 8.3026 112.4200 57.4793 28.9941 175.9851 78 M 4.6612 7.9110 120.9089 55.0196 32.2770 177.3914 79 K 4.0159 8.0176 120.4384 58.8682 31.9575 178.0993 80 Q 4.1593 7.8506 114.7902 57.2638 28.9783 175.8625 81 H 4.7040 8.0274 115.1084 55.8007 28.8472 174.8599 82 D 3.5972 7.1408 121.6331 52.3964 39.6526 176.5920 83 F 3.9709 8.0710 126.7453 60.6864 39.4170 175.9025 84 F 3.9694 7.2991 115.4860 60.9351 39.0493 177.6444 85 K 4.0146 8.0283 117.4081 59.0748 31.5767 179.6475 86 S 4.0854 7.3547 112.5677 60.8262 63.1138 175.6753 87 A 4.0878 7.4113 123.3083 52.5817 18.4276 177.0472 88 M 4.6994 7.1882 116.9182 53.8835 33.4779 174.8898 89 P 4.7131 0.0000 0.0000 65.2282 32.1334 178.3616 90 E 3.8506 8.2708 118.3629 57.5520 29.7436 177.6132 91 G 3.8206 9.2928 106.2129 44.4067 0.0000 171.0650 92 Y 5.4140 7.9364 115.0716 55.5261 42.2990 174.1314 93 V 4.7406 9.2559 120.9142 61.6287 33.6350 174.2077 94 Q 5.2237 9.5320 129.6009 54.6226 31.3445 173.6923 95 E 5.3131 9.4323 126.7656 54.7948 32.5898 175.5750 96 R 5.1835 8.9896 121.2450 54.9341 35.5751 174.4798 97 T 4.8735 8.7584 117.2676 62.1843 71.9938 173.3632 98 I 4.1265 8.9737 129.4830 59.8087 39.0493 175.5408 99 S 4.7061 8.6658 125.6493 56.7700 64.4896 173.8705 100 F 4.7092 8.7502 125.5843 56.1105 39.8569 175.7640 101 K 3.9640 8.6513 126.0841 58.0835 32.2684 175.8922 102 D 4.5062 9.0660 124.4081 54.9426 38.4990 172.9686 103 D 4.3949 7.6976 118.3479 53.7323 43.9959 173.6342 104 G 2.9771 7.4832 107.1590 44.7820 0.0000 171.7416 105 N 5.6585 7.7398 115.1701 51.5535 41.3832 172.9710 106 Y 5.7313 9.1284 118.2135 56.5018 41.0532 174.8565 107 K 5.2284 9.4919 123.5200 54.8993 35.1682 175.1781 108 T 5.1146 9.0031 115.7793 59.7735 72.0682 173.1343 109 R 5.0932 9.0032 123.5172 54.6981 33.3286 173.7236 110 A 5.3077 9.3423 127.5384 50.1833 23.3413 174.3411 111 E 4.9822 9.1040 119.5262 54.6176 32.7441 175.2505 112 V 4.8076 8.4526 126.1571 61.0260 33.6607 174.6344 113 K 4.7789 8.5208 125.9067 56.0154 36.5099 174.3701 114 F 4.7999 8.5876 119.4997 56.9037 39.9384 176.4551 115 E 4.5671 9.5166 123.7925 54.8392 30.7762 177.2476 116 G 4.0946 8.1867 117.0468 46.7109 0.0000 171.9967 117 D 4.8165 8.9255 124.0946 53.9908 41.1739 175.3012 118 T 4.7910 7.7326 117.7353 61.7571 71.0450 173.3503 119 L 4.0026 8.7376 129.1042 54.0546 43.5673 175.2930 120 V 4.8180 8.7714 126.7573 61.0444 34.5491 173.7935 121 N 5.2273 9.2761 126.4042 52.1290 41.2407 172.8511 122 R 5.0211 8.7508 126.5111 54.7242 32.2220 175.8012 123 I 5.1001 9.2440 124.8690 59.4292 41.4403 174.3430 124 E 5.0531 9.1522 125.0893 54.4826 32.3515 174.6569 125 L 5.0745 8.8028 127.0129 52.9230 45.4169 174.8989 126 K 4.7938 9.2158 126.9812 54.6761 35.2616 174.6528 127 G 5.0631 9.7120 116.2105 44.5974 0.0000 171.9118 128 I 5.1312 8.5844 117.6236 59.0880 41.8488 174.6377 129 D 4.2013 8.7125 118.8546 55.3453 38.3114 174.0776 130 F 4.5857 8.2048 116.4967 56.5828 40.3023 176.1168 131 K 4.3096 9.2733 124.7455 55.8662 32.7557 178.1432 132 E 4.0062 9.0175 123.0565 59.2825 29.4924 177.9749 133 D 4.8603 7.9471 115.9456 53.9226 41.6668 176.7250 134 G 3.9954 7.5819 109.7707 44.5296 0.0000 175.0682 135 N 4.3480 8.0522 112.6043 56.0100 38.4677 177.4504 136 I 3.7087 7.2186 119.1771 63.5841 37.7974 177.9922 137 L 3.7971 7.5462 121.2399 57.2135 41.7676 178.4581 138 G 3.7039 7.8324 105.4983 45.3197 0.0000 173.0293 139 H 3.9015 7.4539 116.3305 57.1980 26.4390 174.8140 140 K 4.5546 8.3244 115.4383 56.1766 33.9233 177.5617 141 L 4.9577 7.6900 120.5649 53.4093 42.9083 176.5268 142 E 4.1642 8.9340 123.3381 56.2299 30.3911 177.3968 143 Y 4.5394 8.4884 125.0098 55.7896 37.3023 173.0283 144 N 5.2074 7.5252 119.0138 52.2229 40.7773 173.7794 145 Y 4.5155 8.0831 117.5610 56.5894 41.6369 173.8077 146 N 4.7904 8.1193 124.1056 52.1952 40.2325 174.5768 147 S 4.7242 8.1901 115.8670 58.8948 63.9057 173.5071 148 H 5.0776 9.0406 119.6339 54.2895 33.8104 171.7649 149 N 5.1823 8.6591 116.5931 51.5516 40.9634 174.6242 150 V 3.6170 8.2798 125.0370 61.4351 32.8099 174.5533 151 Y 4.8804 8.4349 127.9705 57.6312 38.7664 174.8233 152 I 5.0950 8.8439 126.7535 59.9856 39.5242 175.2823 153 T 5.0647 8.8485 115.3827 59.7703 72.4614 172.9549 154 A 4.3503 8.5638 124.4335 51.8256 19.9641 177.1534 155 D 4.7240 8.6932 120.7161 51.8132 40.5619 176.4311 156 K 4.0278 8.3175 122.8042 58.8684 32.8688 179.6304 157 Q 4.0336 8.1246 117.0744 58.4059 28.7381 176.9878 158 K 4.3086 8.0834 113.7923 55.3813 32.3863 175.5668 159 N 4.3043 7.7850 115.0961 54.2812 38.5013 173.9567 160 G 3.6635 7.9364 105.5553 44.6203 0.0000 171.9394 161 I 4.9959 7.6019 114.7181 58.9533 41.7156 174.9060 162 K 5.0580 8.9412 120.8762 54.6555 36.2063 175.4647 163 A 5.3213 8.8737 123.5378 50.5856 23.0981 174.8735 164 N 5.7469 9.4523 118.2761 51.6442 42.6738 173.6747 165 F 5.1679 8.7918 116.6972 55.9520 41.9927 173.0445 166 K 4.7941 8.8447 119.1946 54.8186 34.2682 175.5934 167 I 3.9660 8.5767 126.8979 59.8991 39.1399 175.1419 168 R 4.7429 8.5932 125.8242 54.9831 31.6294 175.1344 169 H 4.7327 8.9290 123.0581 54.2209 30.5878 174.8047 170 N 4.8053 8.7595 121.6194 53.3977 39.7077 174.5011 171 I 4.7166 8.7075 125.1556 59.8343 38.7275 176.9231 172 E 4.1047 8.9904 123.8941 59.2680 29.2740 177.7741 173 D 4.5351 7.9586 116.3694 53.2096 40.0093 176.9260 174 G 3.9550 8.1746 108.5074 45.2650 0.0000 173.7490 175 S 4.5758 8.2629 115.0594 57.4884 64.8092 172.2655 176 V 4.7634 8.1678 119.5820 61.0651 34.1106 174.6008 177 Q 4.5376 9.2498 129.6513 54.3355 30.5828 174.0606 178 L 4.5744 8.5081 129.4770 54.8691 43.8004 175.3456 179 A 4.6544 9.0181 127.9248 49.8315 20.9461 173.8900 180 D 4.7374 8.6352 121.4662 55.0992 42.4794 175.2382 181 H 5.0416 9.0991 121.0222 53.9357 31.6272 172.7122 182 Y 5.2375 8.5846 123.8621 55.8371 41.5247 173.9348 183 Q 5.0739 8.8647 127.5135 54.3763 33.1396 173.9989 184 Q 4.7738 9.0260 123.3606 54.3176 33.1577 173.6269 185 N 6.2600 9.3396 121.6551 50.7070 42.1505 173.7146 186 T 5.1715 8.4848 112.5921 59.0233 72.3336 171.5526 187 P 4.9442 0.0000 0.0000 63.3630 31.7770 176.3470 188 I 4.0334 8.9020 123.6225 64.0424 37.7939 177.1142 189 G 3.9174 8.0508 109.2311 45.1641 0.0000 172.8457 190 D 4.6457 8.4319 117.5869 54.2500 41.4508 177.6633 191 G 3.8405 7.6950 108.1338 44.2278 0.0000 171.7414 192 P 4.3745 0.0000 0.0000 62.3957 31.8649 176.5892 193 V 4.4132 8.0531 114.6343 59.2573 34.8768 175.0040 194 L 4.2464 8.3333 122.1064 53.8839 41.9030 176.9667 195 L 4.4263 8.3416 124.9576 52.4275 41.5491 174.8147 196 P 4.6514 0.0000 0.0000 62.2966 32.2674 175.7317 197 D 4.7299 8.2688 119.1210 52.9944 42.0490 176.1549 198 N 4.8367 8.5266 118.4395 54.4317 38.9944 174.2821 199 H 5.0935 8.8155 118.5299 55.0179 32.7297 171.4728 200 Y 5.2662 8.6873 115.4163 55.3619 41.9770 174.2283 201 L 4.7615 8.4353 120.1590 52.9799 44.2658 175.9734 202 S 5.0433 9.2542 121.2434 57.9991 63.3005 172.6962 203 T 5.1160 9.0298 118.9199 60.1625 71.4027 173.6872 204 Q 4.8884 9.0970 122.5203 54.4497 32.5848 174.2699 205 S 5.2074 9.0618 119.3641 56.5282 66.4522 173.2979 206 A 4.7570 9.1745 125.8762 50.1448 21.5510 174.7179 207 L 5.1465 8.5226 122.7625 53.3296 44.0129 175.9101 208 S 4.9024 9.0350 116.5036 57.4820 67.1454 172.5092 209 K 4.9238 8.5807 118.1907 54.5507 35.4770 175.8786 210 D 4.6514 8.8634 122.6999 52.1258 41.4031 175.4376 211 P 4.3006 0.0000 0.0000 65.3659 31.1977 176.6719 212 N 4.6245 7.7842 113.1057 52.8609 38.9696 174.0417 213 E 4.3731 7.8715 120.6870 54.6828 30.3317 175.7479 214 K 4.3037 8.4627 125.0695 57.2727 33.1235 177.3133 215 R 4.2431 7.7194 117.3941 55.2134 30.9532 175.6093 216 D 4.7653 8.6687 120.4799 55.0569 42.2009 174.7796 217 H 5.0837 8.5264 120.4654 54.7849 32.6137 172.0550 218 M 4.6420 8.0267 116.6481 54.7315 35.9300 173.2355 219 V 4.6364 8.6763 126.4659 61.0940 33.8818 173.9043 220 L 5.1382 9.1690 130.1112 53.0771 45.1529 174.5476 221 L 4.9268 8.7916 127.7144 53.2299 44.8535 174.5173 222 E 5.1271 9.0231 127.3809 54.3023 33.4283 174.2331 223 F 5.3630 9.2723 124.8072 55.7513 42.3193 174.1816 224 V 4.9809 9.0244 124.0297 61.3401 34.6117 174.3181 225 T 5.0486 8.7718 123.5146 61.5755 72.0893 173.1927 226 A 4.3218 8.6178 128.4949 51.8769 19.4983 176.2792 227 A 4.0963 8.4867 122.0388 50.9351 23.0250 176.9772 228 G 4.0939 9.1284 105.5115 45.3886 0.0000 173.8096 229 I 4.5429 7.2108 119.9561 59.4537 40.1164 175.4049 230 T 4.1382 8.6228 114.3640 61.9230 68.8806 174.4410 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 K 8.16 4.57 0.00 1.92 2.10 0.00 1.44 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.42 7.81 4 G 7.93 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 E 9.04 4.17 0.00 2.03 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 0.00 2.33 2.35 0.00 6 E 7.76 4.10 0.00 2.08 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 2.33 2.39 0.00 7 L 7.61 4.09 0.00 1.31 0.98 0.53 0.85 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 8 F 7.90 4.93 0.00 3.30 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.17 4.07 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 1.29 0.00 0.00 10 G 7.14 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 0.00 0.00 0.00 11 V 8.47 4.11 2.12 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 0.78 0.00 0.00 1.04 0.00 0.00 12 V 8.70 4.54 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 1.15 0.00 0.00 1.07 0.00 0.00 13 P 0.00 4.80 0.00 2.12 1.93 0.00 3.84 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 2.12 2.12 0.00 14 I 8.74 5.09 1.71 0.00 0.00 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.96 0.96 0.00 0.00 15 L 8.81 5.18 0.00 1.53 1.50 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.86 4.93 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 1.15 0.00 0.00 1.14 0.00 0.00 17 E 9.46 5.18 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.38 0.00 18 L 9.32 5.30 0.00 1.89 1.69 0.92 0.84 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 19 D 8.95 5.11 0.00 2.56 2.41 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 20 G 8.71 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.10 4.99 0.00 2.62 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.81 4.64 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 0.72 0.00 0.00 0.98 0.00 0.00 23 N 10.32 4.41 0.00 3.00 2.97 0.00 0.00 7.31 7.19 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 24 G 8.53 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 25 H 8.22 4.56 0.00 3.35 3.28 0.00 5.61 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.45 5.06 0.00 1.68 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.45 7.81 27 F 8.78 5.09 0.00 2.99 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 28 S 9.06 5.15 0.00 3.83 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 29 V 9.05 5.10 2.41 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 1.35 0.00 0.00 1.33 0.00 0.00 30 S 9.37 5.24 0.00 3.81 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 31 G 9.66 4.38 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 0.00 32 E 9.02 5.05 0.00 1.74 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 0.00 2.14 2.16 0.00 33 G 7.43 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 E 7.89 4.94 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 35 G 8.65 3.52 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 0.00 0.00 0.00 36 D 9.43 5.36 0.00 2.75 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 37 A 9.11 4.48 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 38 T 7.99 3.76 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 39 Y 7.94 4.69 0.00 3.18 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 40 G 8.06 4.61 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 0.00 0.00 0.00 41 K 7.56 4.46 0.00 2.24 1.76 0.00 1.76 0.00 0.00 1.61 0.00 0.00 2.79 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.18 0.77 7.81 42 L 8.32 4.89 0.00 1.58 1.42 1.01 0.45 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 43 T 8.72 4.92 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 1.09 0.00 0.00 44 L 8.83 4.81 0.00 1.17 0.45 1.05 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 45 K 8.51 4.52 0.00 1.54 1.38 0.00 1.48 0.00 0.00 1.52 0.00 0.00 2.72 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.14 1.23 7.81 46 F 8.83 5.33 0.00 2.71 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 47 I 8.86 5.12 1.92 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 1.10 0.78 0.98 0.00 0.00 48 C 9.49 5.10 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.80 3.96 4.29 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 1.27 0.00 0.00 50 T 8.20 4.43 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 51 G 6.63 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.60 4.32 0.00 1.73 1.68 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.42 7.81 53 L 8.83 3.73 0.00 1.03 0.93 0.27 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 54 P 0.00 4.32 0.00 1.85 1.92 0.00 2.72 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.70 0.00 55 V 6.40 4.11 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 0.36 0.00 0.00 0.36 0.00 0.00 56 P 0.00 4.42 0.00 2.15 2.01 0.00 3.37 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 57 W 9.12 4.46 0.00 3.76 3.51 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 0.00 0.00 0.00 0.00 58 P 0.00 4.65 0.00 2.30 2.44 0.00 3.76 0.00 0.00 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 59 T 7.87 4.29 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 1.13 0.00 0.00 60 L 7.86 4.32 0.00 1.26 0.45 0.73 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.52 3.62 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 0.42 0.00 0.00 0.92 0.00 0.00 62 T 7.99 4.14 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 1.49 0.00 0.00 63 T 7.72 4.12 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 64 F 7.68 4.83 0.00 2.99 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 *68 V 7.35 4.07 2.45 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 0.86 0.00 0.00 1.11 0.00 0.00 69 Q 7.68 3.94 0.00 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.85 0.00 0.00 0.00 0.00 0.00 2.14 2.14 0.00 70 C 7.73 4.09 0.00 2.12 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 71 F 7.86 4.61 0.00 3.30 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 72 S 7.55 4.64 0.00 3.97 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 73 R 9.07 4.41 0.00 2.02 1.83 0.00 3.14 0.00 0.00 3.28 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.72 0.00 74 Y 8.56 4.61 0.00 2.84 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 75 P 0.00 4.36 0.00 2.06 2.01 0.00 3.48 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.03 0.00 76 D 9.06 4.42 0.00 2.80 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 77 H 8.30 4.52 0.00 3.37 3.41 0.00 5.53 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 78 M 7.91 4.66 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.44 0.00 79 K 8.02 4.02 0.00 1.93 1.96 0.00 1.66 0.00 0.00 1.69 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.68 7.81 80 Q 7.85 4.16 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.07 0.00 0.00 0.00 0.00 0.00 1.84 2.15 0.00 81 H 8.03 4.70 0.00 3.34 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 D 7.14 3.60 0.00 1.84 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.07 3.97 0.00 3.00 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 84 F 7.30 3.97 0.00 3.07 3.05 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 85 K 8.03 4.01 0.00 1.62 1.75 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.93 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.30 1.04 7.81 86 S 7.35 4.09 0.00 3.94 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 87 A 7.41 4.09 1.12 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 88 M 7.19 4.70 0.00 2.44 2.51 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.15 2.88 0.00 89 P 0.00 4.71 0.00 2.21 2.10 0.00 3.69 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.90 0.00 90 E 8.27 3.85 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 91 G 9.29 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 0.00 0.00 0.00 92 Y 7.94 5.41 0.00 3.36 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 9.26 4.74 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.01 0.00 0.00 94 Q 9.53 5.22 0.00 2.52 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.54 0.00 0.00 0.00 0.00 0.00 2.39 2.47 0.00 95 E 9.43 5.31 0.00 1.88 1.82 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 2.26 2.30 0.00 96 R 8.99 5.18 0.00 1.75 1.74 0.00 3.16 0.00 0.00 3.18 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 97 T 8.76 4.87 4.36 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 1.23 0.00 0.00 98 I 8.97 4.13 1.80 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 0.70 0.72 0.09 0.00 0.00 99 S 8.67 4.71 0.00 3.60 3.70 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 0.00 100 F 8.75 4.71 0.00 3.13 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 0.00 101 K 8.65 3.96 0.00 1.70 1.75 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.41 7.81 102 D 9.07 4.51 0.00 2.88 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 0.00 103 D 7.70 4.39 0.00 2.64 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 0.00 104 G 7.48 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 0.00 0.00 0.00 105 N 7.74 5.66 0.00 2.91 2.79 0.00 0.00 7.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 Y 9.13 5.73 0.00 2.98 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 0.00 107 K 9.49 5.23 0.00 1.70 1.75 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.57 7.81 108 T 9.00 5.11 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 1.25 0.00 0.00 109 R 9.00 5.09 0.00 1.89 1.79 0.00 3.06 0.00 0.00 3.19 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 110 A 9.34 5.31 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 0.00 111 E 9.10 4.98 0.00 1.90 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.24 0.00 112 V 8.45 4.81 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 0.00 0.00 0.83 0.00 0.00 0.90 0.00 0.00 113 K 8.52 4.78 0.00 2.02 1.91 0.00 1.37 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.29 1.41 7.81 114 F 8.59 4.80 0.00 3.13 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 0.00 115 E 9.52 4.57 0.00 1.93 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 2.21 2.36 0.00 116 G 8.19 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 0.00 117 D 8.93 4.82 0.00 2.70 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.73 4.79 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 1.25 0.00 0.00 119 L 8.74 4.00 0.00 1.23 1.55 1.00 0.23 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 0.00 120 V 8.77 4.82 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 0.88 0.00 0.00 0.96 0.00 0.00 121 N 9.28 5.23 0.00 2.88 2.74 0.00 0.00 6.89 7.48 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 0.00 122 R 8.75 5.02 0.00 1.82 1.85 0.00 3.12 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 123 I 9.24 5.10 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.15 0.97 0.00 0.00 124 E 9.15 5.05 0.00 1.86 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 2.18 2.20 0.00 125 L 8.80 5.07 0.00 1.50 1.20 0.47 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 126 K 9.22 4.79 0.00 1.87 1.65 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.47 7.81 127 G 9.71 5.06 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 0.00 0.00 0.00 128 I 8.58 5.13 1.92 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 1.30 0.75 0.99 0.00 0.00 129 D 8.71 4.20 0.00 2.70 2.68 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 0.00 130 F 8.20 4.59 0.00 3.24 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 0.00 131 K 9.27 4.31 0.00 1.82 1.73 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.40 7.81 132 E 9.02 4.01 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 133 D 7.95 4.86 0.00 2.64 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 0.00 134 G 7.58 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 0.00 135 N 8.05 4.35 0.00 2.90 2.87 0.00 0.00 7.46 7.27 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 0.00 136 I 7.22 3.71 1.58 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 -0.04 0.15 0.00 0.00 137 L 7.55 3.80 0.00 1.74 1.64 0.99 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.83 3.70 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 0.00 0.00 0.00 139 H 7.45 3.90 0.00 3.26 3.30 0.00 5.63 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.32 4.55 0.00 1.80 1.80 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.49 7.81 141 L 7.69 4.96 0.00 1.56 1.63 0.85 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 142 E 8.93 4.16 0.00 1.91 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 2.40 2.31 0.00 143 Y 8.49 4.54 0.00 3.11 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 0.00 144 N 7.53 5.21 0.00 2.84 2.80 0.00 0.00 6.07 7.55 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 0.00 145 Y 8.08 4.52 0.00 2.90 3.05 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 0.00 146 N 8.12 4.79 0.00 2.54 2.59 0.00 0.00 7.07 7.57 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 0.00 147 S 8.19 4.72 0.00 3.74 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 0.00 148 H 9.04 5.08 0.00 3.16 3.17 0.00 5.75 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 N 8.66 5.18 0.00 2.17 1.76 0.00 0.00 6.79 7.68 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 0.00 150 V 8.28 3.62 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 -0.05 0.00 0.00 151 Y 8.43 4.88 0.00 3.20 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 0.00 152 I 8.84 5.09 1.67 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.68 0.91 0.00 0.00 153 T 8.85 5.06 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 1.34 0.00 0.00 154 A 8.56 4.35 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 0.00 155 D 8.69 4.72 0.00 2.62 2.40 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 0.00 156 K 8.32 4.03 0.00 1.85 1.84 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.45 7.81 157 Q 8.12 4.03 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.04 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 158 K 8.08 4.31 0.00 1.82 1.81 0.00 2.08 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.40 7.81 159 N 7.79 4.30 0.00 2.88 2.90 0.00 0.00 6.79 7.86 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 0.00 160 G 7.94 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 I 7.60 5.00 1.65 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.07 0.36 0.33 0.00 0.00 162 K 8.94 5.06 0.00 1.66 1.72 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.00 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.28 1.31 7.81 163 A 8.87 5.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 N 9.45 5.75 0.00 2.80 2.82 0.00 0.00 6.42 7.72 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 0.00 165 F 8.79 5.17 0.00 3.23 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.84 4.79 0.00 1.68 1.75 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.71 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.59 1.47 7.81 167 I 8.58 3.97 1.79 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 0.99 0.82 0.48 0.00 0.00 168 R 8.59 4.74 0.00 1.67 1.85 0.00 3.19 0.00 0.00 3.23 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.66 0.00 169 H 8.93 4.73 0.00 3.25 3.23 0.00 5.62 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 170 N 8.76 4.81 0.00 2.82 2.84 0.00 0.00 7.09 7.23 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 0.00 171 I 8.71 4.72 2.02 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 1.32 0.99 0.96 0.00 0.00 172 E 8.99 4.10 0.00 2.08 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 2.46 2.29 0.00 173 D 7.96 4.54 0.00 2.81 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 G 8.17 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 0.00 0.00 0.00 175 S 8.26 4.58 0.00 3.95 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 0.00 176 V 8.17 4.76 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 0.84 0.00 0.00 0.93 0.00 0.00 177 Q 9.25 4.54 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.79 0.00 0.00 0.00 0.00 0.00 2.43 2.59 0.00 178 L 8.51 4.57 0.00 1.81 1.50 0.90 0.88 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 0.00 179 A 9.02 4.65 0.77 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 0.00 180 D 8.64 4.74 0.00 2.51 2.51 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 0.00 0.00 0.00 0.00 181 H 9.10 5.04 0.00 1.65 2.36 0.00 5.75 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 Y 8.58 5.24 0.00 2.99 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 0.00 183 Q 8.86 5.07 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.54 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 184 Q 9.03 4.77 0.00 1.82 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.53 0.00 0.00 0.00 0.00 0.00 2.11 1.86 0.00 185 N 9.34 6.26 0.00 2.28 2.68 0.00 0.00 6.36 7.87 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 0.00 186 T 8.48 5.17 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 187 P 0.00 4.94 0.00 2.18 2.20 0.00 3.91 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 2.10 2.16 0.00 188 I 8.90 4.03 2.15 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 1.22 0.63 0.94 0.00 0.00 189 G 8.05 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 D 8.43 4.65 0.00 2.69 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 0.00 191 G 7.69 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 P 0.00 4.37 0.00 2.04 1.99 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 193 V 8.05 4.41 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 0.67 0.00 0.00 1.15 0.00 0.00 194 L 8.33 4.25 0.00 1.54 1.69 0.89 0.77 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 0.00 195 L 8.34 4.43 0.00 1.63 1.63 0.94 1.18 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 0.00 196 P 0.00 4.65 0.00 2.32 2.36 0.00 3.68 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 197 D 8.27 4.73 0.00 2.57 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 0.00 198 N 8.53 4.84 0.00 2.67 2.87 0.00 0.00 6.70 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 0.00 199 H 8.82 5.09 0.00 3.27 3.34 0.00 5.21 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 8.69 5.27 0.00 2.65 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 8.44 4.76 0.00 1.45 1.49 0.84 0.66 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 0.00 202 S 9.25 5.04 0.00 3.99 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 0.00 203 T 9.03 5.12 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 1.14 0.00 0.00 204 Q 9.10 4.89 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 205 S 9.06 5.21 0.00 3.60 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 0.00 206 A 9.17 4.76 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 L 8.52 5.15 0.00 0.89 0.93 0.69 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 0.00 208 S 9.04 4.90 0.00 3.89 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 0.00 209 K 8.58 4.92 0.00 1.62 1.71 0.00 1.33 0.00 0.00 1.22 0.00 0.00 2.13 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.20 1.15 7.81 210 D 8.86 4.65 0.00 2.70 2.39 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 0.00 211 P 0.00 4.30 0.00 2.20 2.18 0.00 3.79 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.99 0.00 212 N 7.78 4.62 0.00 2.73 2.85 0.00 0.00 6.85 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 0.00 213 E 7.87 4.37 0.00 1.86 1.61 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 1.88 2.25 0.00 214 K 8.46 4.30 0.00 1.77 1.84 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.43 7.81 215 R 7.72 4.24 0.00 1.98 1.92 0.00 3.20 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.57 0.00 216 D 8.67 4.77 0.00 2.96 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 0.00 217 H 8.53 5.08 0.00 3.14 3.14 0.00 5.60 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 0.00 218 M 8.03 4.64 0.00 1.66 1.12 0.00 0.00 0.00 0.00 0.00 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 219 V 8.68 4.64 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 220 L 9.17 5.14 0.00 1.91 1.75 0.84 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 221 L 8.79 4.93 0.00 1.71 1.44 0.70 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 222 E 9.02 5.13 0.00 1.92 1.60 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 2.16 2.39 0.00 223 F 9.27 5.36 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 V 9.02 4.98 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.92 0.00 0.00 225 T 8.77 5.05 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 1.19 0.00 0.00 226 A 8.62 4.32 0.22 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 0.00 227 A 8.49 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 9.13 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 0.00 229 I 7.21 4.54 1.83 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.70 0.94 0.00 0.00 230 T 8.62 4.14 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 1.23 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.