NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.4089 7.8676 121.0497 61.2959 39.8773 174.2403 17 S 4.3800 9.1304 121.8817 55.6724 66.2298 172.0780 18 G 3.4212 8.2889 109.8567 47.3068 0.0000 175.1041 19 G 3.7798 9.0433 113.0708 45.2107 0.0000 172.7753 *29 D 4.5452 7.9976 117.7654 53.7351 42.6306 174.9492 30 A 4.5766 8.4902 122.7059 52.1297 19.3253 177.0499 31 I 4.9099 8.4168 113.6434 59.3931 41.5184 173.7320 32 Y 5.4463 9.7399 122.6603 56.6063 41.2133 175.2029 33 S 4.7965 8.5905 118.8671 56.3421 65.4588 173.8655 34 S 4.1917 8.4471 112.6998 61.0813 63.3942 175.9418 *39 T 4.3398 7.3748 109.8652 61.4912 70.9247 173.6510 40 G 4.0372 7.3433 110.4889 45.1839 0.0000 171.2449 41 R 4.9924 8.7465 121.3680 55.0892 33.1606 176.8862 42 C 5.1189 9.0566 122.0106 55.7986 44.6621 172.7057 43 S 5.1876 8.5668 114.7169 57.0025 66.1844 174.1921 44 L 3.3318 8.6642 125.5993 55.5319 42.3433 176.3060 45 G 3.9715 9.3925 114.5369 47.9834 0.0000 172.7363 46 F 5.1246 7.9014 115.7048 54.8520 44.3990 173.4920 47 N 5.3746 8.9250 119.6089 53.2856 39.4809 174.7820 48 V 5.2562 9.4472 116.1490 60.1527 36.9932 174.2104 48A R 5.1498 9.0050 116.7140 55.3899 33.3481 174.3265 48B S 4.4645 8.8262 114.7680 56.4839 65.5030 174.7924 48C G 4.0720 9.0223 119.0750 47.1293 0.0000 173.5604 48D S 4.4376 8.9307 116.9341 57.6845 63.2307 173.1521 49 T 4.3156 8.0127 119.5718 62.6683 69.4811 173.0974 50 Y 5.1007 8.2394 123.9833 57.0778 40.4897 174.3684 51 Y 5.3335 9.4712 119.9766 56.7741 43.5305 173.5875 52 F 5.5575 8.5404 113.8857 55.5702 41.5712 174.1042 53 L 5.0349 9.0762 121.0503 54.6917 44.0257 175.7296 54 T 4.5583 8.2992 114.5590 61.3823 71.5160 172.3787 55 A 4.2348 8.5032 124.4402 51.7876 19.2528 179.1016 56 G 3.8796 8.7910 110.5317 46.5938 0.0000 175.4624 57 H 3.7104 7.7967 114.8310 57.4518 28.3829 176.4042 58 C 4.5699 7.4360 119.1036 59.5938 35.3166 175.4328 59 T 4.4254 7.8634 110.4326 62.7668 68.8914 173.8266 60 D 4.3576 7.9306 122.8635 54.7207 41.2796 176.6298 58 G 3.9799 7.4460 109.3036 46.4938 0.0000 175.7328 59 A 4.3954 7.9534 120.6326 53.4669 18.1914 176.9266 60 T 4.0676 7.7406 116.0635 62.3207 69.9796 175.0298 65 T 4.6860 7.3850 119.2833 60.6326 70.7480 173.5708 66 W 4.9141 8.3539 123.6674 54.6985 32.8582 174.6394 67 W 5.4621 9.9601 122.6233 55.0470 32.5791 176.0865 68 A 4.4699 9.4994 123.2769 53.5428 19.4772 177.2623 *78 N 5.1272 8.2441 112.0823 52.2674 38.4129 175.7080 79 S 2.9096 7.8507 113.1676 60.6394 63.1058 175.1061 80 A 3.9108 7.6105 121.5988 52.0599 18.8565 176.7457 81 R 3.2658 7.2133 114.4176 57.4338 27.8348 176.7701 82 T 4.3726 8.0057 105.5864 61.7132 71.2171 174.2129 83 T 4.6192 8.3633 119.7089 61.7507 70.1342 174.2231 84 V 4.0246 8.6102 126.9119 62.9995 32.4326 174.7550 85 L 4.6487 8.8291 125.7655 54.8428 43.8192 176.8863 86 G 4.3016 7.1100 103.8583 45.5815 0.0000 171.2478 87 T 5.7612 7.4919 108.3359 59.7847 72.2659 173.6863 88 T 4.3328 8.7557 120.4364 64.6143 68.4444 174.0565 89 S 4.6638 8.8103 121.6691 58.7368 65.2216 174.4462 90 G 4.1278 7.6649 104.1671 45.6444 0.0000 172.5226 91 S 4.7667 8.2814 115.7582 56.9693 66.4685 172.9159 *93 S 4.4468 8.6797 120.7395 58.8865 63.1656 171.8328 94 F 5.2850 8.5699 124.3570 57.5503 42.6386 172.1130 *99A P 3.1956 0.0000 0.0000 64.2432 31.8246 175.5511 100 N 4.7847 8.6876 116.5194 53.6689 37.5191 173.9722 101 N 5.4061 7.4857 112.0206 51.5283 41.8850 174.2334 102 D 5.2838 8.8584 116.2757 53.4959 40.9990 173.9535 103 Y 5.2779 8.3571 118.2721 55.7556 42.1157 175.6083 104 G 4.4708 9.1894 106.3789 45.4585 0.0000 171.5544 105 I 5.0027 8.6438 119.8507 58.9137 41.9883 173.9403 106 V 4.4752 7.9267 127.8249 60.8204 34.4012 174.0757 107 R 4.3162 8.7372 128.9090 55.3691 31.3613 175.0160 108 Y 4.8259 8.4202 125.2763 58.4340 38.3020 176.0080 109 T 4.3938 9.3291 112.8275 61.1920 70.4949 173.1605 110 N 4.7174 8.2528 121.7122 52.9231 38.8569 174.5848 111 T 4.1093 8.5440 117.0031 63.5980 69.5367 175.5080 112 T 4.2400 7.8871 110.7957 62.3376 70.1664 175.1580 113 I 3.6924 7.8581 122.5597 60.1667 38.3832 173.6922 114 P 4.3075 0.0000 0.0000 62.6957 31.8696 176.9713 115 K 4.4383 7.8860 121.9703 54.1827 31.7588 174.7242 116 D 4.4594 8.3262 121.0287 54.2611 42.0750 177.6698 117 G 3.4657 8.4275 114.2462 45.1393 0.0000 171.7552 118 T 4.8215 7.1785 108.2106 59.8793 72.7132 173.0625 119 V 4.4405 8.1792 120.7460 61.4547 32.8396 176.0887 120 G 3.7790 8.0893 120.2684 46.8252 0.0000 175.4405 121 G 3.6487 8.7273 113.4623 46.6893 0.0000 173.0373 122 Q 3.9747 7.9552 122.7084 55.5846 29.1200 174.8863 123 D 4.6573 8.5620 125.5029 54.2197 42.0135 174.9159 124 I 4.8234 7.9200 126.2014 59.8574 39.1396 175.4460 125 T 4.6962 8.8650 115.9965 61.4714 70.7210 173.2705 126 S 4.5962 7.5837 115.3565 57.9247 66.1877 173.2629 127 A 5.1748 8.4587 120.6286 50.3518 21.5611 175.0967 128 A 4.6508 8.4747 120.3578 50.7695 23.0088 175.5483 129 N 4.6432 8.5518 116.1553 51.8848 39.8726 175.8181 130 A 4.2502 8.3563 125.1083 52.4005 19.4605 176.9337 131 T 4.6973 7.9491 108.9560 59.2445 72.0299 173.7113 132 V 3.7663 8.2448 123.2745 64.6213 31.8877 176.4695 133 G 3.9473 8.9497 116.0962 45.0781 0.0000 173.2240 134 M 4.2086 7.8573 120.8603 55.3886 33.4211 174.9674 135 A 4.6755 8.5000 128.0508 51.8156 19.5609 176.8061 136 V 4.5786 8.7315 115.2481 59.8900 36.7216 174.7402 137 T 4.8541 8.4665 117.3109 61.9237 72.8070 173.3317 138 R 5.7295 9.0939 125.3368 53.6913 33.3822 174.1487 139 R 5.1412 8.7151 124.3256 54.6614 32.0456 174.1596 140 G 4.4180 8.9792 112.2109 44.4418 0.0000 173.6543 141 S 4.4035 9.0573 115.5635 60.4560 63.8485 175.8122 142 T 4.2362 7.7989 116.4803 65.7335 68.9030 176.5396 143 T 4.3820 8.1262 109.6051 62.2905 70.6966 174.4848 *156 G 4.3461 7.3824 108.9846 46.9534 0.0000 172.8721 157 T 5.2649 8.5817 122.0483 62.4155 70.0888 173.8617 158 H 4.9609 9.3618 122.8049 54.1945 33.3491 172.6892 159 S 4.9883 8.3700 116.5510 56.8488 66.2613 174.3536 160 G 4.0117 7.8947 107.5422 46.1289 0.0000 172.2985 161 S 5.0897 8.5706 115.1847 56.4225 67.3382 173.8036 162 V 4.2319 8.5435 121.8488 63.1734 31.7699 176.3571 163 T 4.4873 8.6740 117.6279 62.0072 70.3618 173.9956 164 A 4.5540 7.4421 121.6481 51.3602 22.4134 174.8362 165 L 5.0188 8.3418 118.3010 52.6891 45.7840 175.6226 166 N 4.1836 8.7723 113.8399 54.3953 36.3037 174.6148 167 A 4.4752 8.2568 118.7819 51.9261 20.5449 177.5135 168 T 4.6453 8.3194 117.1777 61.8622 70.4205 174.2455 169 V 3.6790 8.1084 126.6871 60.7389 34.0322 173.6825 170 N 4.6760 8.2450 127.1766 52.3258 39.1572 173.9756 171 Y 4.3874 8.8166 124.5715 57.9934 38.6170 177.2872 172 G 3.9650 8.6445 106.0797 46.2072 0.0000 173.7477 173 G 4.0314 9.3788 104.5315 46.3633 0.0000 175.0263 174 G 3.8992 8.4802 105.9096 45.1143 0.0000 174.9611 175 D 4.5120 7.9333 121.7050 52.6529 39.9526 174.1354 176 V 4.4972 7.5727 121.2544 60.7115 34.4625 174.1976 177 V 4.6395 8.1273 120.4521 59.7001 34.7973 174.3029 178 Y 4.8144 8.5780 121.1173 56.3920 41.4670 175.3674 179 G 3.9817 8.8337 106.4849 47.0556 0.0000 173.8908 180 M 4.6919 8.1148 118.8595 54.6995 33.8318 175.5849 181 I 4.5337 9.0519 123.2608 60.6779 38.9905 174.8683 182 R 4.7079 9.1318 128.5036 55.3282 31.9513 175.1217 183 T 5.1002 8.3201 114.5697 60.0879 73.2933 173.1985 184 N 4.7165 8.3425 115.9855 52.8699 38.4642 174.4285 *190 V 4.4096 8.0288 117.8194 63.7483 32.4796 174.0122 191 C 4.6293 8.7567 120.9817 55.0001 43.0914 172.3864 192 A 4.7423 7.7423 120.5014 51.5734 21.4325 175.4413 192A E 4.7368 9.3126 119.6211 53.3719 33.7670 173.5771 192B P 4.2450 0.0000 0.0000 64.5473 31.5301 176.2345 193 G 4.4078 8.8693 110.6849 46.7753 0.0000 174.3647 194 D 4.4834 8.5130 119.1514 55.6305 41.4910 176.6545 195 S 4.3575 7.9309 115.6774 60.3982 63.2329 175.6711 196 G 4.1326 8.8666 112.3325 46.3429 0.0000 173.8651 197 G 4.0734 8.0190 107.1874 44.8254 0.0000 171.5012 198 P 4.8008 0.0000 0.0000 62.2715 33.1084 174.7499 199 L 5.1644 9.0910 124.4047 53.6218 44.2924 174.7324 200 Y 5.4584 9.2773 123.8737 55.5742 42.6658 174.6121 201 S 4.3824 9.1939 114.1255 55.9789 64.5610 174.8663 202 G 3.8407 8.6678 120.7336 46.9456 0.0000 173.1317 *207 T 4.9445 8.3383 115.5790 61.0050 71.1494 171.6064 208 R 5.0539 7.9635 121.8774 54.8821 32.4445 175.3188 209 A 4.5027 9.0479 126.5718 51.9670 19.3767 177.2509 210 I 4.1371 9.1228 122.5491 62.6726 40.4808 175.5918 211 G 4.7144 7.8570 106.1812 45.6906 0.0000 171.3320 212 L 5.5386 8.9894 119.0699 52.8087 45.3756 176.9185 213 T 3.5959 9.1435 121.2095 64.3343 68.8555 174.0301 214 S 4.3479 8.9407 121.0036 58.2571 64.1278 174.1985 215 G 4.0230 7.5595 104.9224 46.9285 0.0000 171.2617 216 G 4.3491 7.5935 106.0014 46.3527 0.0000 171.0268 217 S 4.6526 7.9930 116.5872 57.4785 66.7897 174.6968 218 G 4.0704 9.7980 107.9579 45.6148 0.0000 171.3013 219 N 4.7842 7.7953 115.2523 52.2541 40.2530 174.5042 220 C 4.3173 9.3327 115.8265 59.4946 40.5230 175.9085 221 S 4.2235 8.2857 113.7343 61.2759 62.1317 175.1747 222 S 4.3041 8.6426 114.2516 58.9140 63.2680 175.4678 223 G 4.0058 9.6494 107.3433 45.5723 0.0000 172.7626 224 G 4.4378 7.6701 105.1102 45.8650 0.0000 171.9161 225 T 4.8540 8.4102 115.5289 61.9410 71.9790 173.8042 226 T 4.9021 8.2831 122.4738 61.6862 72.4669 172.9214 227 F 5.3991 9.4610 124.2947 55.9675 41.8249 174.8427 228 F 5.4035 9.4281 120.6046 55.6821 43.2231 173.8324 229 Q 4.7392 9.2373 124.1976 54.6613 30.4609 173.5635 230 P 4.8005 0.0000 0.0000 62.6543 32.1261 177.8474 231 V 3.6985 8.7028 124.3032 64.7591 31.3200 178.6795 232 T 3.7668 7.8931 110.2874 64.9486 68.4034 176.0011 233 E 3.8627 7.7659 120.5215 58.9341 29.5410 179.2580 234 A 2.6692 7.3623 120.3236 54.5294 18.4909 179.4767 235 L 3.8730 7.8210 117.6140 57.7854 41.5176 180.0244 235A V 3.4471 7.6581 117.9437 65.8703 31.2958 177.7932 236 A 3.8559 7.3282 119.1895 54.9970 18.2554 178.3624 237 Y 4.6994 7.3156 111.4181 56.7986 38.7757 175.7878 238 G 3.8921 7.6671 108.1207 47.0524 0.0000 173.5734 239 V 4.7940 7.5927 110.9627 59.1332 35.3718 175.7500 240 S 4.7721 8.6896 115.0453 56.7522 66.5501 174.2873 241 V 4.4302 8.3719 114.8847 61.5589 32.7671 175.9505 242 Y 4.4025 7.7178 118.8690 57.6641 37.5976 174.6901 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 16 I 7.87 4.41 1.90 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.42 0.99 0.00 0.00 17 S 9.13 4.38 0.00 4.08 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 18 G 8.29 3.42 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 19 G 9.04 3.78 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 0.00 0.00 0.00 *29 D 8.00 4.55 0.00 2.66 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.49 4.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.42 4.91 1.97 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.96 0.52 0.00 0.00 32 Y 9.74 5.45 0.00 3.18 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 33 S 8.59 4.80 0.00 2.98 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.45 4.19 0.00 4.04 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 0.00 *39 T 7.37 4.34 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 1.18 0.00 0.00 40 G 7.34 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 8.75 4.99 0.00 1.58 1.72 0.00 2.97 0.00 0.00 2.77 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.31 0.00 42 C 9.06 5.12 0.00 2.88 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 43 S 8.57 5.19 0.00 3.76 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 L 8.66 3.33 0.00 1.26 1.26 0.32 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 45 G 9.39 3.97 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 0.00 0.00 0.00 46 F 7.90 5.12 0.00 2.97 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 N 8.93 5.37 0.00 2.69 3.25 0.00 0.00 6.74 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 48 V 9.45 5.26 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 1.14 0.00 0.00 48A R 9.00 5.15 0.00 1.23 1.56 0.00 2.21 0.00 0.00 2.90 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.30 0.00 48B S 8.83 4.46 0.00 3.88 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 48C G 9.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48D S 8.93 4.44 0.00 3.95 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.01 4.32 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 0.80 0.00 0.00 50 Y 8.24 5.10 0.00 2.91 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 9.47 5.33 0.00 2.84 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 52 F 8.54 5.56 0.00 3.11 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 L 9.08 5.03 0.00 1.83 1.78 1.04 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 54 T 8.30 4.56 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 0.95 0.00 0.00 55 A 8.50 4.23 1.11 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 56 G 8.79 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 57 H 7.80 3.71 0.00 2.41 1.31 0.00 5.55 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 58 C 7.44 4.57 0.00 3.14 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 59 T 7.86 4.43 4.37 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 1.21 0.00 0.00 60 D 7.93 4.36 0.00 3.06 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 58 G 7.45 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 59 A 7.95 4.40 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 T 7.74 4.07 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 1.21 0.00 0.00 65 T 7.39 4.69 3.41 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 0.17 0.00 0.00 66 W 8.35 4.91 0.00 3.30 3.23 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 0.00 0.00 0.00 0.00 94 F 8.57 5.28 0.00 2.95 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99A P 0.00 3.20 0.00 2.06 1.19 0.00 3.66 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.70 0.00 100 N 8.69 4.78 0.00 2.94 3.14 0.00 0.00 7.27 7.76 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 0.00 101 N 7.49 5.41 0.00 2.37 2.66 0.00 0.00 6.59 8.06 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 0.00 102 D 8.86 5.28 0.00 2.94 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 0.00 103 Y 8.36 5.28 0.00 3.03 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 0.00 104 G 9.19 4.47 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 0.00 105 I 8.64 5.00 1.36 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.94 0.00 0.00 114 P 0.00 4.31 0.00 2.04 1.92 0.00 3.65 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 115 K 7.89 4.44 0.00 1.34 1.61 0.00 1.08 0.00 0.00 0.82 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.97 7.81 116 D 8.33 4.46 0.00 2.63 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.43 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 T 7.18 4.82 4.21 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 1.16 0.00 0.00 119 V 8.18 4.44 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 0.74 0.00 0.00 0.60 0.00 0.00 120 G 8.09 3.78 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 0.00 0.00 0.00 121 G 8.73 3.65 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 0.00 0.00 0.00 122 Q 7.96 3.97 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.94 0.00 0.00 0.00 0.00 0.00 2.36 2.19 0.00 123 D 8.56 4.66 0.00 2.64 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.92 4.82 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.18 0.84 0.00 0.00 125 T 8.87 4.70 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 1.21 0.00 0.00 126 S 7.58 4.60 0.00 3.84 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 0.00 127 A 8.46 5.17 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 A 8.47 4.65 1.17 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 0.00 129 N 8.55 4.64 0.00 2.72 2.75 0.00 0.00 6.88 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.36 4.25 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 0.00 131 T 7.95 4.70 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 1.21 0.00 0.00 132 V 8.24 3.77 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 0.80 0.00 0.00 0.94 0.00 0.00 133 G 8.95 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 0.00 134 M 7.86 4.21 0.00 2.13 1.97 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.45 0.00 135 A 8.50 4.68 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 0.00 136 V 8.73 4.58 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 0.61 0.00 0.00 0.74 0.00 0.00 137 T 8.47 4.85 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 1.03 0.00 0.00 138 R 9.09 5.73 0.00 1.91 1.83 0.00 3.21 0.00 0.00 3.56 7.04 0.00 0.00 0.00 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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 0.00 168 T 8.32 4.65 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 169 V 8.11 3.68 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 -0.11 0.00 0.00 -0.27 0.00 0.00 170 N 8.25 4.68 0.00 2.57 2.56 0.00 0.00 7.23 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 0.00 171 Y 8.82 4.39 0.00 3.18 2.92 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 0.00 172 G 8.64 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 0.00 173 G 9.38 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 0.00 174 G 8.48 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 0.00 175 D 7.93 4.51 0.00 2.88 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 0.00 176 V 7.57 4.50 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 0.33 0.00 0.00 0.85 0.00 0.00 177 V 8.13 4.64 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 0.87 0.00 0.00 0.82 0.00 0.00 178 Y 8.58 4.81 0.00 2.80 2.80 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 0.00 179 G 8.83 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 0.00 180 M 8.11 4.69 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.66 0.00 181 I 9.05 4.53 2.10 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 1.20 0.86 0.96 0.00 0.00 182 R 9.13 4.71 0.00 2.03 1.81 0.00 3.16 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.06 0.00 183 T 8.32 5.10 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 1.20 0.00 0.00 184 N 8.34 4.72 0.00 2.80 3.01 0.00 0.00 7.02 9.02 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 *190 V 8.03 4.41 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 1.13 0.00 0.00 0.88 0.00 0.00 191 C 8.76 4.63 0.00 3.05 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 0.00 192 A 7.74 4.74 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 192A E 9.31 4.74 0.00 1.92 1.78 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 2.20 2.22 0.00 192B P 0.00 4.24 0.00 2.02 2.02 0.00 3.64 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 193 G 8.87 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 0.00 0.00 0.00 0.00 194 D 8.51 4.48 0.00 2.79 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 0.00 195 S 7.93 4.36 0.00 3.86 3.74 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 0.00 196 G 8.87 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 197 G 8.02 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 P 0.00 4.80 0.00 1.82 0.96 0.00 3.82 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 1.99 1.60 0.00 199 L 9.09 5.16 0.00 1.33 1.54 0.18 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 200 Y 9.28 5.46 0.00 3.22 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 0.00 201 S 9.19 4.38 0.00 3.79 3.72 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 0.00 202 G 8.67 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 *207 T 8.34 4.94 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 1.23 0.00 0.00 208 R 7.96 5.05 0.00 1.95 1.87 0.00 3.11 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 209 A 9.05 4.50 0.37 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 0.00 210 I 9.12 4.14 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.96 0.89 0.00 0.00 211 G 7.86 4.71 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 0.00 0.00 0.00 212 L 8.99 5.54 0.00 1.75 1.67 1.11 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 213 T 9.14 3.60 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 0.99 0.00 0.00 214 S 8.94 4.35 0.00 4.01 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 215 G 7.56 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 216 G 7.59 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 S 7.99 4.65 0.00 3.99 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 G 9.80 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 N 7.80 4.78 0.00 3.11 2.91 0.00 0.00 7.44 9.01 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 0.00 220 C 9.33 4.32 0.00 3.01 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 0.00 221 S 8.29 4.22 0.00 3.83 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 222 S 8.64 4.30 0.00 3.86 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 0.00 223 G 9.65 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 G 7.67 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 0.00 0.00 0.00 0.00 225 T 8.41 4.85 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 0.86 0.00 0.00 226 T 8.28 4.90 4.37 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 0.69 0.00 0.00 227 F 9.46 5.40 0.00 3.03 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 0.00 228 F 9.43 5.40 0.00 3.05 3.03 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 0.00 229 Q 9.24 4.74 0.00 2.38 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.98 0.00 0.00 0.00 0.00 0.00 2.83 2.60 0.00 230 P 0.00 4.80 0.00 2.27 2.02 0.00 3.79 0.00 0.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.17 0.00 231 V 8.70 3.70 2.18 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 0.74 0.00 0.00 0.90 0.00 0.00 232 T 7.89 3.77 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 1.21 0.00 0.00 233 E 7.77 3.86 0.00 2.29 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 2.33 2.34 0.00 234 A 7.36 2.67 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 235 L 7.82 3.87 0.00 1.76 1.80 0.81 0.67 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 235A V 7.66 3.45 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 0.95 0.00 0.00 0.91 0.00 0.00 236 A 7.33 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 Y 7.32 4.70 0.00 2.86 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 0.00 238 G 7.67 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 239 V 7.59 4.79 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 0.58 0.00 0.00 0.94 0.00 0.00 240 S 8.69 4.77 0.00 3.87 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 0.00 241 V 8.37 4.43 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 0.45 0.00 0.00 0.85 0.00 0.00 242 Y 7.72 4.40 0.00 3.10 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 * Residues marked with a * may have inaccurate shift predictions.