NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5224 8.3049 118.3394 55.3177 33.0719 174.0675 2 D 4.8815 8.2634 120.2176 51.0219 42.7542 170.8177 3 V 4.9830 8.7094 123.9667 60.0485 35.2215 174.4801 4 A 4.6436 8.8213 122.8557 50.7012 22.7103 175.5339 5 G 4.1076 8.2676 108.1636 44.4502 0.0000 172.1729 6 L 4.3492 7.2357 118.9140 54.2862 46.2170 173.5134 7 T 5.0514 8.2594 119.9481 60.2981 71.1365 171.8105 8 D 4.4302 8.0676 119.7594 54.0407 44.8050 176.9695 9 C 4.2699 8.4002 122.3680 61.6249 28.8662 173.2169 10 G 3.9507 8.3413 104.1515 44.3254 0.0000 172.6453 11 L 4.4712 7.4543 116.6279 54.8678 42.1139 176.2534 12 I 4.2839 7.0199 116.3109 62.2346 39.9682 175.6839 13 R 3.9198 7.9341 121.6768 57.5068 30.5910 178.0576 14 K 4.1257 8.6672 124.0164 56.8458 32.3639 174.1316 15 S 4.6258 7.5722 111.9668 57.9488 64.4575 172.3919 16 N 4.9419 8.2664 117.9114 54.6505 39.3822 174.0904 17 Q 4.6199 8.6298 124.3453 55.9376 30.1010 175.3652 18 D 4.9992 8.6184 119.4464 54.0688 42.3713 175.5305 19 A 4.9027 8.6717 120.8633 51.5122 23.1501 175.0477 20 F 5.2749 8.1553 113.0837 56.9120 41.0639 172.5922 21 Y 4.5506 8.7303 117.2027 56.7609 42.5308 172.8480 22 I 4.5581 7.3919 126.4089 59.3467 40.4548 176.1554 23 D 4.1323 7.3705 126.7399 52.6670 39.3378 176.2839 24 E 3.8152 8.1364 125.0556 59.5077 29.6922 179.2195 25 K 3.8525 7.7017 118.2567 57.3312 31.8756 178.8940 26 H 4.7254 8.3742 116.1585 54.9604 29.9546 175.4086 27 Q 3.5174 8.2884 117.3386 57.0410 26.5492 174.7690 28 R 4.5425 9.4005 119.5139 57.8569 31.7588 177.0244 29 F 5.9151 6.7506 111.6876 54.8372 41.9484 173.6053 30 F 5.1428 8.8238 116.8081 56.1869 43.7085 173.7025 31 I 5.4077 9.0249 121.2202 60.1938 42.1454 174.5887 32 V 5.1141 8.4533 122.8866 62.0064 35.6697 172.7358 33 A 5.5448 9.3776 129.1822 49.4112 22.6888 174.1352 34 D 4.7788 9.5394 124.0267 53.0577 42.2472 176.1082 35 G 4.4892 8.8466 114.5606 45.8256 0.0000 171.9397 36 M 5.3411 8.7356 117.0032 53.3099 35.4653 172.4194 37 G 3.6993 8.9727 105.4963 43.6171 0.0000 173.9509 38 G 3.9676 8.5209 114.7396 45.7703 0.0000 172.1381 39 H 3.9494 9.1769 113.2481 57.3070 25.8392 174.9248 40 A 4.3140 7.4646 114.2054 52.1725 16.8030 180.2942 41 G 3.7291 8.3868 108.9784 49.1983 0.0000 176.7509 42 G 3.6393 8.0638 107.9340 47.6484 0.0000 175.5896 43 E 3.9861 8.1460 120.6901 59.1499 29.4890 179.1143 44 E 3.9713 7.9037 117.7730 59.3653 29.4615 179.1490 45 A 3.9887 8.1714 120.9449 55.2569 18.4815 179.7009 46 S 4.1333 8.2222 113.8463 60.9294 62.9886 176.5467 47 R 3.8322 8.1065 122.3478 59.0753 29.7729 178.1960 48 L 3.9597 8.2330 118.8363 57.8672 41.5805 179.3649 49 A 3.9098 8.1969 120.6077 55.2124 18.3347 179.8466 50 V 3.4835 7.8653 116.5373 66.2366 31.5698 177.8842 51 D 4.2045 8.5131 118.8366 57.8028 40.7043 178.6779 52 H 4.1375 8.4454 116.9064 58.7174 28.5982 178.0614 53 I 3.5770 7.9216 121.8669 64.2417 36.9644 178.0759 54 R 3.6818 7.8620 119.5375 59.7041 29.3340 178.1230 55 Q 3.8850 8.2291 119.2627 59.4051 28.9609 177.6905 56 Y 3.8907 8.0501 120.4488 60.5860 38.6816 178.1141 57 L 3.8841 8.0721 120.1839 57.6616 41.4877 179.0637 58 E 4.1459 7.8990 116.6943 58.6351 29.3877 178.6018 59 T 4.1774 7.0483 114.0570 64.7326 69.2872 175.2586 60 H 4.6919 7.4964 118.2020 56.0289 29.6970 176.8690 61 L 3.9201 7.8167 123.7824 58.1811 41.0280 183.5259 62 E 4.0958 8.1510 114.3453 58.8063 29.9122 180.2328 63 D 4.5769 8.1402 118.2941 56.5446 41.1639 177.1961 64 L 4.7284 8.3980 117.0810 54.1374 42.6940 178.2727 65 Q 4.0861 7.9603 118.7696 58.8184 28.4407 177.3430 66 H 4.4295 8.0374 113.0804 57.3548 29.5757 175.0513 67 D 4.5541 8.0773 120.3200 50.4688 41.1614 173.2998 68 P 3.8708 0.0000 0.0000 65.3870 31.2721 178.4285 69 V 3.3708 7.1023 117.4484 66.0485 31.3257 177.8382 70 T 3.7656 7.5740 114.8497 66.7846 68.2375 175.7237 71 L 3.9553 7.5479 121.3053 58.6590 41.8700 178.9292 72 L 4.0628 8.4519 118.4672 57.9297 41.8992 179.4431 73 R 3.7866 8.1619 118.8160 59.6579 29.9125 178.2242 74 Q 3.7396 8.6024 119.1081 58.8661 29.1332 177.8203 75 A 3.1367 7.8546 121.9742 55.1404 18.4427 179.3669 76 F 3.7074 8.6305 116.3922 60.8839 39.0349 178.0732 77 L 4.0099 7.8708 117.6642 57.6489 41.5150 179.1794 78 A 3.9344 7.8309 120.5671 55.1225 18.1700 179.6844 79 A 3.7924 7.6707 118.6414 55.3383 18.6260 179.1788 80 N 4.1793 8.4924 116.0436 57.1508 38.7786 176.5213 81 H 3.9923 8.7916 119.5448 59.0918 29.9014 176.7125 82 A 3.9359 7.6697 122.2929 55.4807 18.0936 179.6178 83 I 3.5801 7.7619 117.7057 64.7004 37.3559 178.7572 84 V 3.9902 7.7101 120.2362 65.4206 30.9550 177.6416 85 E 3.8918 8.1540 118.5177 59.3720 29.8056 178.5696 86 Q 4.1322 7.8331 118.0198 58.7878 28.5700 178.6436 87 Q 3.9884 7.9957 119.2077 59.1940 28.6297 179.1917 88 R 3.9967 7.6519 116.6942 58.1824 30.1362 177.9118 89 Q 4.2685 8.0508 119.4927 56.6489 28.4469 176.3561 *90 N 4.2963 8.7320 130.3480 53.9035 38.2293 179.0000 91 S 4.3260 8.5545 120.8452 59.0443 62.7813 172.3185 92 A 4.2189 7.9247 120.2929 54.8021 18.6301 178.1989 93 R 4.6314 7.6442 114.7677 55.8007 30.7790 177.9133 94 A 4.0202 8.3041 124.0712 55.0929 18.3487 178.8403 95 D 4.8630 7.9166 113.3027 53.3574 39.8208 176.5016 96 M 4.4269 7.9258 117.0694 56.2512 31.9690 175.0914 97 G 4.1469 8.5008 106.3006 46.7064 0.0000 171.5567 98 T 5.2032 8.3606 112.9000 61.5052 71.6272 172.1015 99 T 4.8091 8.2739 115.1908 60.3385 72.4356 172.7143 100 A 5.1395 8.5381 120.2966 51.2806 23.0943 175.9265 101 V 5.1740 8.8610 114.1771 59.7766 36.0729 175.0331 102 V 5.5286 9.1952 123.3908 60.6008 35.7749 173.7118 103 I 5.3634 8.7933 126.0894 59.4935 40.8432 173.9583 104 L 5.3446 9.3072 129.0817 53.3438 44.3494 175.2744 105 L 5.0446 9.2406 127.5727 54.3022 42.7968 177.1080 106 D 4.7089 8.9944 124.6972 54.8353 41.7950 177.9114 *107 E 3.9314 9.2961 119.5296 59.9174 29.7539 180.5711 108 K 4.3628 8.2543 120.4942 59.0534 32.1882 179.8769 109 G 4.2479 7.6694 106.1432 46.4404 0.0000 176.2999 110 D 4.7458 8.2765 125.8934 53.4456 41.9089 176.0106 111 R 5.0157 8.0215 118.4828 54.2610 33.2477 174.7346 112 A 5.0037 8.7889 126.3532 50.0094 22.0356 174.9853 113 W 4.7524 9.5434 123.7546 56.1816 31.1739 175.4790 114 C 5.4753 9.2611 122.0074 58.1207 30.3439 172.8357 115 A 5.8077 8.8160 125.9058 49.7703 21.8539 174.5253 116 H 5.1645 7.9098 112.4833 55.1767 31.8175 173.4112 117 V 4.2282 9.1117 120.4407 64.0955 34.5248 172.6544 118 G 4.0323 8.4293 116.2287 44.5354 0.0000 173.9530 119 D 5.0115 8.6627 124.6996 53.1167 39.7835 175.4727 120 S 4.7214 7.9293 115.8782 58.2783 64.7829 173.8110 121 R 4.9933 8.3557 122.2574 53.9485 33.4820 174.9862 122 I 5.0673 7.7755 119.6113 59.9858 40.7432 174.5002 123 Y 5.2447 9.2264 124.1850 56.1068 42.1296 174.5772 124 R 5.0253 9.5944 121.8166 54.4802 33.2325 173.6747 125 W 5.2309 9.4238 135.0000 55.7719 32.4883 174.7507 126 R 4.1908 8.0883 126.7336 55.6709 33.0368 174.3337 127 K 3.3981 8.7027 126.8144 59.4578 29.6368 175.1180 128 D 4.4465 6.0829 119.4572 52.8554 37.5561 176.2494 129 Q 4.2044 5.9819 120.4076 55.3867 32.1382 172.0223 130 L 5.1379 8.5079 128.3830 53.9747 43.6057 175.2857 131 Q 4.6797 9.2270 127.0083 54.3036 32.5285 173.5150 132 Q 3.8900 8.8200 127.7066 55.7679 29.2493 175.2477 133 I 4.0729 8.5139 128.7878 63.9316 38.0336 176.9923 134 T 4.1157 7.5034 111.0392 60.5796 70.0372 173.7781 135 S 4.4953 7.9927 118.7546 56.7581 63.9530 173.7870 136 D 4.4097 8.4745 124.2751 55.1858 41.2167 178.2801 137 H 4.6747 8.9017 123.5876 54.6386 27.3581 174.2032 138 T 4.6890 7.2176 112.7820 58.3516 73.4264 174.9928 139 W 4.4586 7.6951 121.5264 60.1260 29.4987 178.6662 140 I 3.9320 8.0782 112.3484 64.1229 36.4553 177.8575 141 A 4.1346 7.9485 123.7805 55.4665 17.9980 179.3699 142 Q 4.6197 8.0460 116.0510 57.5605 28.1582 179.1575 143 A 4.5329 7.7099 123.0576 54.7697 19.7355 179.0043 144 V 3.7061 6.6768 117.9983 64.8217 32.1638 175.8070 145 Q 3.4545 8.5241 122.6998 57.1728 24.9470 175.5732 *151 I 4.1561 7.9363 115.9954 59.7845 37.5030 178.0679 152 E 4.9783 7.7138 116.9269 57.4330 32.5915 180.3653 153 Q 4.5974 7.7829 120.3411 52.7171 30.3788 176.3618 154 A 4.4261 8.4138 114.3984 54.2692 17.3707 177.6620 155 R 4.4365 8.6925 117.6000 58.3422 29.8266 177.2137 156 Q 4.1186 8.2352 119.9929 57.3452 28.3251 178.4105 *157 H 4.6315 8.3600 120.5199 53.4240 32.8682 169.4816 158 P 4.4223 0.0000 0.0000 63.6148 31.3638 176.2678 159 W 4.4910 8.4197 117.9907 56.2141 30.1539 179.0957 160 R 3.9138 7.8169 117.6438 58.4684 29.2952 180.9236 161 H 4.8591 9.1712 114.6786 57.7267 30.0197 176.0847 162 V 3.8321 7.9294 120.1226 62.8263 31.8384 175.2226 163 L 4.5199 8.4663 127.3314 54.5417 42.3197 176.7997 164 S 4.1468 8.3038 114.7054 58.0928 64.0553 174.1504 165 Q 4.5473 7.0038 118.6426 54.6695 32.5409 173.4961 166 C 4.9249 7.9180 113.1903 57.5476 31.5537 173.7460 167 L 4.0365 7.8993 123.1256 56.1352 41.6089 177.7703 168 G 4.4496 8.9830 112.9250 45.6697 0.0000 173.4088 169 R 4.6379 8.0056 118.1313 53.6815 33.3415 176.3304 170 E 4.0555 9.1250 123.0461 59.0556 29.8190 177.7453 171 D 4.6522 7.8824 116.7060 52.7114 40.4910 180.9125 172 L 3.8179 7.4002 123.2417 56.9117 41.4468 177.6265 173 S 4.6555 7.9903 125.1522 57.3746 63.6355 170.7089 174 Q 4.3562 7.4621 117.8372 56.4187 30.1845 172.8908 175 I 4.1399 8.0274 127.4283 59.0039 38.7454 174.7839 176 D 4.4438 8.4345 127.5862 54.4667 41.4817 175.4031 177 I 5.2085 8.0375 124.6810 59.4204 40.0620 175.4282 178 Q 4.7853 9.1241 123.1430 54.6453 31.9853 171.9422 179 P 4.6741 0.0000 0.0000 62.0495 32.9132 175.0659 180 I 4.6166 8.0756 113.4852 59.4034 41.3139 173.7416 181 D 4.9209 8.5864 123.4683 53.6608 42.1820 175.7038 182 L 4.6173 9.0787 123.1185 53.1451 43.7401 176.0509 183 E 4.4492 8.8565 124.6910 54.9477 30.0362 173.4745 184 P 4.2428 0.0000 0.0000 61.7486 31.8720 174.8358 185 G 4.3252 9.2077 116.1112 46.1788 0.0000 174.2734 186 D 4.9458 8.0458 119.1382 53.2394 40.9473 175.4646 187 R 5.2074 9.4986 118.3901 54.5304 33.8286 174.9744 188 L 5.3084 9.2261 121.2124 52.9327 45.1795 175.3728 189 L 5.2248 8.9921 124.3103 53.2333 45.8727 175.0987 190 L 5.3868 8.8900 124.8466 53.2539 45.1163 175.3430 191 C 5.9613 9.5472 118.2954 55.6164 34.0035 172.7402 192 S 5.1531 8.6058 112.5208 55.2419 65.4641 174.8390 193 D 4.5431 8.9891 121.1039 56.8824 38.4445 179.2570 194 G 3.9646 8.1292 107.2529 47.6167 0.0000 174.5267 195 L 4.0787 8.4761 123.6832 57.5184 41.9061 178.7939 196 T 4.1452 7.7165 113.1614 64.0309 68.8264 175.5440 197 E 4.1744 8.3195 120.3848 58.0638 29.5964 177.0985 198 E 4.2911 8.0519 116.8516 56.5638 31.1434 176.0574 199 L 4.7164 7.8929 118.5328 52.9037 44.1102 176.2615 200 T 4.2262 8.0959 112.9101 61.1480 71.3976 175.4905 201 D 4.4436 8.7043 121.7338 58.1550 40.7484 178.4666 202 D 4.3303 8.1187 119.0476 56.9495 40.9442 178.2944 203 V 3.4596 7.6622 117.2126 66.4194 31.6398 178.3743 204 I 3.6936 8.1114 119.4987 64.5744 36.7322 178.1988 205 S 4.1321 8.0706 112.7392 61.5047 62.4713 175.8831 206 I 3.7106 7.6891 122.2427 64.8645 36.9134 178.0107 207 Y 4.2317 7.4112 116.8556 61.1514 37.4453 178.9256 208 L 3.8186 7.6261 119.1140 57.5074 41.6545 179.3355 209 S 3.1789 7.2088 114.3984 59.3898 62.7491 174.3433 210 E 3.7516 7.0680 121.8461 56.0311 29.6406 174.7442 211 P 4.2316 0.0000 0.0000 65.4765 31.8147 176.7966 212 N 4.5878 9.0173 117.7633 52.7116 39.8247 176.1360 213 V 3.7228 8.4485 124.1997 65.1936 31.6243 179.1561 214 Q 4.0024 7.9384 119.9923 59.7885 27.9426 181.2250 215 K 4.1344 7.7582 118.4043 59.3387 32.0589 179.2649 216 A 3.8548 8.3770 121.1802 55.1025 18.3586 179.1488 217 A 3.7965 8.1469 119.3441 55.5490 18.3782 179.8054 218 A 3.8089 7.6934 118.6964 55.1636 18.4637 179.6364 219 A 3.6859 8.1048 119.7015 55.0497 18.2774 179.8201 220 L 3.6393 8.3231 117.8858 57.9685 41.6688 180.0425 221 V 3.4788 7.5524 118.0830 65.7441 31.4579 177.5023 222 D 4.1655 8.4026 117.9619 57.2359 41.0976 177.7215 223 A 3.8489 8.0216 121.3191 55.2543 18.0825 179.0144 224 A 3.9116 7.7562 117.6802 55.7558 18.7558 179.8946 225 K 4.3311 8.1514 117.8513 59.3199 31.8216 179.8407 226 T 3.9580 7.7077 115.4999 66.5224 68.4369 175.7562 227 H 4.4151 7.8839 118.3254 56.4694 30.2256 174.1626 228 G 4.4562 6.2126 106.1129 43.7188 0.0000 173.4035 229 G 4.0705 8.1996 109.9668 45.5319 0.0000 176.2691 230 R 3.9001 7.8567 120.2628 58.3521 29.4836 178.2504 231 D 5.0630 7.5680 114.5780 51.5029 44.6424 174.5077 232 N 4.9831 8.7643 118.9755 52.5660 39.2433 174.4819 233 V 4.5961 8.4401 122.0377 60.2379 34.4670 174.7533 234 T 4.9773 8.4304 119.4590 62.0131 72.9923 173.3339 235 V 4.8716 8.7087 117.8232 59.7484 36.8675 174.4870 236 V 4.5474 8.6510 123.3165 61.2206 34.6242 174.1491 237 V 4.6869 8.6579 129.0683 61.2496 33.5278 174.2792 238 I 4.8192 8.8118 129.4044 59.3826 39.9314 174.5437 239 S 4.7985 8.7721 123.1357 56.5612 64.5282 174.5248 240 V 3.8756 8.4239 124.1577 63.0052 31.4370 175.5882 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 1 M 8.30 4.52 0.00 2.03 2.39 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.65 0.00 2 D 8.26 4.88 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 3 V 8.71 4.98 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 0.80 0.00 0.00 0.89 0.00 0.00 4 A 8.82 4.64 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.27 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.24 4.35 0.00 1.63 1.30 0.91 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.26 5.05 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 8 D 8.07 4.43 0.00 2.65 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 C 8.40 4.27 0.00 3.03 3.22 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 10 G 8.34 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 11 L 7.45 4.47 0.00 1.68 1.71 1.03 0.73 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 12 I 7.02 4.28 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.59 0.91 0.00 0.00 13 R 7.93 3.92 0.00 1.80 1.89 0.00 3.20 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 14 K 8.67 4.13 0.00 1.78 1.72 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.36 0.99 7.81 15 S 7.57 4.63 0.00 3.82 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 16 N 8.27 4.94 0.00 2.68 2.69 0.00 0.00 7.28 7.08 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 17 Q 8.63 4.62 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.72 0.00 0.00 0.00 0.00 0.00 2.61 2.38 0.00 18 D 8.62 5.00 0.00 2.84 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 19 A 8.67 4.90 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 20 F 8.16 5.27 0.00 3.30 3.09 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 21 Y 8.73 4.55 0.00 3.07 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 22 I 7.39 4.56 1.78 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.05 1.17 0.00 0.00 23 D 7.37 4.13 0.00 1.58 1.73 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 24 E 8.14 3.82 0.00 1.91 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 2.32 2.14 0.00 25 K 7.70 3.85 0.00 1.77 1.69 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.05 7.81 26 H 8.37 4.73 0.00 3.35 3.37 0.00 5.76 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 Q 8.29 3.52 0.00 2.22 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.91 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 28 R 9.40 4.54 0.00 1.81 2.11 0.00 3.34 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 29 F 6.75 5.92 0.00 3.18 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 30 F 8.82 5.14 0.00 3.09 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 31 I 9.02 5.41 2.14 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.46 1.01 0.00 0.00 32 V 8.45 5.11 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 0.99 0.00 0.00 1.06 0.00 0.00 33 A 9.38 5.54 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 34 D 9.54 4.78 0.00 2.73 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 8.85 4.49 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 0.00 0.00 0.00 0.00 36 M 8.74 5.34 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.43 0.00 37 G 8.97 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 38 G 8.52 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 39 H 9.18 3.95 0.00 3.25 3.34 0.00 6.05 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 40 A 7.46 4.31 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 41 G 8.39 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.06 3.64 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 0.00 0.00 0.00 43 E 8.15 3.99 0.00 2.07 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 2.41 2.66 0.00 44 E 7.90 3.97 0.00 2.24 2.00 0.00 0.00 0.00 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 2.48 0.00 45 A 8.17 3.99 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 46 S 8.22 4.13 0.00 4.21 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 47 R 8.11 3.83 0.00 1.96 2.17 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 48 L 8.23 3.96 0.00 1.98 1.74 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.20 3.91 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 50 V 7.87 3.48 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 1.02 0.00 0.00 1.03 0.00 0.00 51 D 8.51 4.20 0.00 2.71 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 52 H 8.45 4.14 0.00 3.29 3.29 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.92 3.58 1.78 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.55 0.74 0.00 0.00 54 R 7.86 3.68 0.00 1.78 1.95 0.00 3.03 0.00 0.00 3.02 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.59 0.00 55 Q 8.23 3.88 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.57 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 56 Y 8.05 3.89 0.00 3.24 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 57 L 8.07 3.88 0.00 1.06 1.04 0.17 1.07 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 58 E 7.90 4.15 0.00 1.93 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 0.00 2.59 2.68 0.00 59 T 7.05 4.18 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 0.91 0.00 0.00 60 H 7.50 4.69 0.00 2.95 3.14 0.00 5.82 0.00 0.00 0.00 0.00 5.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.82 3.92 0.00 1.54 1.67 0.92 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 62 E 8.15 4.10 0.00 1.98 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 2.23 1.91 0.00 63 D 8.14 4.58 0.00 2.59 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.40 4.73 0.00 1.78 1.50 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 65 Q 7.96 4.09 0.00 2.19 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 66 H 8.04 4.43 0.00 3.26 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.08 4.55 0.00 2.36 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 0.00 0.00 0.00 0.00 68 P 0.00 3.87 0.00 0.68 1.41 0.00 3.39 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 0.52 0.61 0.00 69 V 7.10 3.37 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.83 0.00 0.00 70 T 7.57 3.77 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 1.23 0.00 0.00 71 L 7.55 3.96 0.00 1.69 1.70 1.01 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.45 4.06 0.00 1.66 1.78 1.04 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.16 3.79 0.00 1.86 2.00 0.00 3.05 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 74 Q 8.60 3.74 0.00 2.32 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.38 2.26 0.00 75 A 7.85 3.14 1.35 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 76 F 8.63 3.71 0.00 3.19 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 77 L 7.87 4.01 0.00 1.77 1.66 0.86 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.83 3.93 1.20 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 0.00 0.00 79 A 7.67 3.79 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 80 N 8.49 4.18 0.00 2.77 2.96 0.00 0.00 6.93 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 8.79 3.99 0.00 3.26 3.39 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 A 7.67 3.94 1.16 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 0.00 0.00 83 I 7.76 3.58 1.99 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 1.40 0.72 0.91 0.00 0.00 84 V 7.71 3.99 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 1.26 0.00 0.00 0.92 0.00 0.00 85 E 8.15 3.89 0.00 2.17 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 2.24 2.50 0.00 86 Q 7.83 4.13 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.53 2.71 0.00 87 Q 8.00 3.99 0.00 2.22 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 88 R 7.65 4.00 0.00 2.21 1.99 0.00 3.26 0.00 0.00 3.22 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.55 0.00 89 Q 8.05 4.27 0.00 2.16 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.95 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 *90 N 8.73 4.30 0.00 2.65 2.76 0.00 0.00 6.72 8.07 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 91 S 8.55 4.33 0.00 3.62 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 92 A 7.92 4.22 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 93 R 7.64 4.63 0.00 1.83 1.91 0.00 3.15 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 94 A 8.30 4.02 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 95 D 7.92 4.86 0.00 2.82 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 96 M 7.93 4.43 0.00 2.21 2.26 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.65 0.00 97 G 8.50 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 0.00 0.00 0.00 98 T 8.36 5.20 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 1.26 0.00 0.00 99 T 8.27 4.81 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 100 A 8.54 5.14 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.86 5.17 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 1.02 0.00 0.00 1.08 0.00 0.00 102 V 9.20 5.53 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 1.53 0.00 0.00 1.06 0.00 0.00 103 I 8.79 5.36 2.28 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.00 1.18 0.00 0.00 104 L 9.31 5.34 0.00 1.89 1.77 1.12 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 105 L 9.24 5.04 0.00 1.71 1.74 1.23 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 106 D 8.99 4.71 0.00 2.86 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 *107 E 9.30 3.93 0.00 1.98 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 2.24 1.91 0.00 108 K 8.25 4.36 0.00 1.67 1.80 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.41 1.00 7.81 109 G 7.67 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 0.00 0.00 0.00 0.00 110 D 8.28 4.75 0.00 2.81 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.02 5.02 0.00 1.93 2.06 0.00 3.15 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.44 0.00 112 A 8.79 5.00 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 0.00 113 W 9.54 4.75 0.00 3.50 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 C 9.26 5.48 0.00 2.98 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 0.00 115 A 8.82 5.81 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.91 5.16 0.00 3.35 3.38 0.00 5.42 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 0.00 117 V 9.11 4.23 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.99 0.00 0.00 118 G 8.43 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 0.00 119 D 8.66 5.01 0.00 2.92 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 0.00 120 S 7.93 4.72 0.00 3.87 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 0.00 121 R 8.36 4.99 0.00 1.76 1.44 0.00 3.19 0.00 0.00 3.17 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.41 0.00 122 I 7.78 5.07 1.82 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.85 0.94 0.00 0.00 123 Y 9.23 5.24 0.00 2.82 2.81 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 0.00 0.00 0.00 124 R 9.59 5.03 0.00 1.81 1.78 0.00 3.22 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 125 W 9.42 5.23 0.00 3.39 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 0.00 126 R 8.09 4.19 0.00 1.78 1.49 0.00 3.20 0.00 0.00 3.09 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.50 0.00 127 K 8.70 3.40 0.00 1.62 1.59 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 1.24 7.81 128 D 6.08 4.45 0.00 2.79 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 0.00 129 Q 5.98 4.20 0.00 2.10 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.83 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 130 L 8.51 5.14 0.00 1.90 1.63 1.10 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 9.23 4.68 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.73 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 132 Q 8.82 3.89 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.81 0.00 0.00 0.00 0.00 0.00 1.96 1.16 0.00 133 I 8.51 4.07 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.92 0.86 0.00 0.00 134 T 7.50 4.12 3.54 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 1.09 0.00 0.00 135 S 7.99 4.50 0.00 3.85 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 0.00 136 D 8.47 4.41 0.00 2.63 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 0.00 137 H 8.90 4.67 0.00 3.18 3.06 0.00 5.56 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.22 4.69 4.33 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 1.22 0.00 0.00 139 W 7.70 4.46 0.00 3.50 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.08 3.93 1.96 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.71 1.09 0.00 0.00 141 A 7.95 4.13 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 0.00 142 Q 8.05 4.62 0.00 2.16 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.81 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 143 A 7.71 4.53 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 0.00 144 V 6.68 3.71 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 0.80 0.00 0.00 0.99 0.00 0.00 145 Q 8.52 3.45 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.94 0.00 0.00 0.00 0.00 0.00 2.17 1.91 0.00 *151 I 7.94 4.16 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.11 0.91 0.00 0.00 152 E 7.71 4.98 0.00 1.95 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.67 0.00 153 Q 7.78 4.60 0.00 1.96 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.16 0.00 0.00 0.00 0.00 0.00 2.28 1.90 0.00 154 A 8.41 4.43 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.69 4.44 0.00 1.90 2.04 0.00 3.10 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 156 Q 8.24 4.12 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.97 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 *157 H 8.36 4.63 0.00 2.86 2.92 0.00 7.17 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 P 0.00 4.42 0.00 2.47 2.16 0.00 3.78 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.09 0.00 159 W 8.42 4.49 0.00 3.45 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 7.82 3.91 0.00 1.83 1.86 0.00 3.25 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.28 0.00 161 H 9.17 4.86 0.00 2.99 3.37 0.00 5.63 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.93 3.83 2.60 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 1.42 0.00 0.00 1.39 0.00 0.00 163 L 8.47 4.52 0.00 1.68 1.68 0.94 0.95 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 0.00 164 S 8.30 4.15 0.00 2.72 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 0.00 165 Q 7.00 4.55 0.00 1.91 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.95 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 166 C 7.92 4.92 0.00 3.20 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 0.00 167 L 7.90 4.04 0.00 1.77 1.64 0.84 1.21 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 0.00 168 G 8.98 4.45 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 0.00 0.00 0.00 169 R 8.01 4.64 0.00 1.84 1.80 0.00 3.16 0.00 0.00 3.43 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 170 E 9.12 4.06 0.00 2.33 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 0.00 2.27 1.87 0.00 171 D 7.88 4.65 0.00 2.71 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 0.00 172 L 7.40 3.82 0.00 1.76 1.64 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 173 S 7.99 4.66 0.00 3.61 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 0.00 174 Q 7.46 4.36 0.00 1.95 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.51 6.97 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 175 I 8.03 4.14 1.69 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 1.22 0.70 0.20 0.00 0.00 176 D 8.43 4.44 0.00 2.62 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 0.00 177 I 8.04 5.21 1.92 0.00 0.00 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 1.28 0.65 1.10 0.00 0.00 178 Q 9.12 4.79 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.27 0.00 179 P 0.00 4.67 0.00 1.22 0.49 0.00 3.55 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.30 0.00 180 I 8.08 4.62 1.80 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 1.31 1.19 0.83 0.00 0.00 181 D 8.59 4.92 0.00 2.53 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 0.00 182 L 9.08 4.62 0.00 1.56 1.61 0.97 1.08 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 0.00 183 E 8.86 4.45 0.00 2.03 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 2.23 2.23 0.00 184 P 0.00 4.24 0.00 2.07 1.96 0.00 3.66 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.16 0.00 185 G 9.21 4.33 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 0.00 186 D 8.05 4.95 0.00 3.07 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 0.00 187 R 9.50 5.21 0.00 1.80 1.81 0.00 3.17 0.00 0.00 3.20 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.42 0.00 188 L 9.23 5.31 0.00 1.45 1.50 0.94 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 189 L 8.99 5.22 0.00 1.73 1.58 0.94 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 190 L 8.89 5.39 0.00 1.68 1.60 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 191 C 9.55 5.96 0.00 2.96 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 0.00 192 S 8.61 5.15 0.00 4.08 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 0.00 193 D 8.99 4.54 0.00 2.91 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.13 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 0.00 195 L 8.48 4.08 0.00 1.73 1.72 0.87 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 196 T 7.72 4.15 4.33 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 1.37 0.00 0.00 197 E 8.32 4.17 0.00 2.02 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 2.48 2.52 0.00 198 E 8.05 4.29 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 199 L 7.89 4.72 0.00 1.66 1.55 0.95 0.73 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 0.00 200 T 8.10 4.23 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 201 D 8.70 4.44 0.00 2.77 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 0.00 202 D 8.12 4.33 0.00 2.67 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 0.00 203 V 7.66 3.46 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.94 0.00 0.00 204 I 8.11 3.69 1.90 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.63 0.00 0.00 205 S 8.07 4.13 0.00 4.00 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 0.00 206 I 7.69 3.71 1.64 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.52 0.45 0.00 0.00 207 Y 7.41 4.23 0.00 2.99 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 0.00 208 L 7.63 3.82 0.00 1.55 0.99 0.85 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 209 S 7.21 3.18 0.00 3.90 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 0.00 210 E 7.07 3.75 0.00 1.90 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 2.33 2.54 0.00 211 P 0.00 4.23 0.00 2.04 2.09 0.00 3.67 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 2.01 2.05 0.00 212 N 9.02 4.59 0.00 2.70 2.76 0.00 0.00 7.25 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 0.00 213 V 8.45 3.72 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.88 0.00 0.00 214 Q 7.94 4.00 0.00 2.06 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.93 0.00 0.00 0.00 0.00 0.00 2.36 2.02 0.00 215 K 7.76 4.13 0.00 2.13 1.83 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.46 1.32 7.81 216 A 8.38 3.85 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 0.00 217 A 8.15 3.80 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 0.00 218 A 7.69 3.81 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 219 A 8.10 3.69 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 220 L 8.32 3.64 0.00 1.79 1.62 0.82 0.87 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 0.00 221 V 7.55 3.48 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 1.01 0.00 0.00 0.87 0.00 0.00 222 D 8.40 4.17 0.00 2.71 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 0.00 223 A 8.02 3.85 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 224 A 7.76 3.91 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 0.00 225 K 8.15 4.33 0.00 1.90 1.86 0.00 1.84 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.40 7.81 226 T 7.71 3.96 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 1.21 0.00 0.00 227 H 7.88 4.42 0.00 3.14 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 228 G 6.21 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 G 8.20 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 0.00 230 R 7.86 3.90 0.00 1.85 1.91 0.00 3.21 0.00 0.00 3.15 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 231 D 7.57 5.06 0.00 2.57 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 232 N 8.76 4.98 0.00 3.01 2.96 0.00 0.00 7.15 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 0.00 233 V 8.44 4.60 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 0.80 0.00 0.00 0.92 0.00 0.00 234 T 8.43 4.98 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 1.23 0.00 0.00 235 V 8.71 4.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.78 0.00 0.00 236 V 8.65 4.55 2.06 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 0.88 0.00 0.00 0.81 0.00 0.00 237 V 8.66 4.69 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.82 0.00 0.00 238 I 8.81 4.82 1.62 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.41 0.62 0.00 0.00 239 S 8.77 4.80 0.00 3.82 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 0.00 240 V 8.42 3.88 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 0.92 0.00 0.00 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.