NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.7444 8.3149 120.0973 56.4290 33.7286 174.7425 6 V 4.3572 8.6020 117.8177 59.0146 35.4077 172.8217 7 A 5.0415 8.9560 127.8462 50.8920 20.7870 175.4604 8 R 4.3069 8.9395 123.8664 56.7703 33.6944 173.4109 9 I 4.7841 9.2076 117.0180 61.5071 38.7950 176.3386 *12 A 4.1391 8.1653 122.6693 51.7544 21.5151 175.9408 13 P 4.2376 0.0000 0.0000 65.5545 31.5071 179.0380 14 N 4.3740 8.1331 115.4414 55.8414 37.4240 176.9849 15 E 4.1471 8.1446 120.5665 59.1215 29.7586 179.0065 16 R 4.0547 7.8166 118.1437 58.8642 30.0978 178.7363 17 D 4.3397 8.2870 119.1528 57.2443 40.8307 178.5466 18 A 4.0323 7.9814 120.7456 54.7369 18.4383 179.6204 19 A 3.8520 7.7615 119.2327 55.5002 18.4181 180.1359 20 R 3.8938 7.9626 116.2812 59.0137 30.0774 179.5178 21 R 3.9035 7.8265 118.3974 59.1306 30.0279 179.0541 22 I 3.7001 7.5817 119.3254 64.0986 37.0989 178.5509 23 V 3.2745 7.4788 118.7232 65.7959 31.3187 177.8600 24 R 3.8359 8.0100 118.5440 60.0503 29.8951 178.6817 25 T 3.9454 7.8273 115.2612 66.7723 68.0008 177.1057 26 T 3.9146 8.0225 117.8200 66.9382 68.5479 176.4955 27 Y 4.1451 8.4206 118.5371 60.8012 37.6406 177.9518 28 E 4.2467 8.5500 119.4941 58.8798 29.3695 178.7647 29 A 4.0059 7.7250 119.5241 53.9946 18.6672 178.5779 30 Q 4.1726 7.4398 114.2327 55.5314 29.4705 176.6852 31 G 3.9557 7.1798 108.0363 45.1445 0.0000 172.9139 32 Y 4.9176 7.7805 116.8798 57.2622 38.9058 175.4438 33 A 4.5028 9.3315 125.3710 51.8094 20.3690 176.4222 34 I 5.0014 8.4889 121.2854 59.5996 39.7749 174.8908 35 D 5.0881 8.7709 125.6281 51.1361 42.3470 176.4567 36 E 4.3164 8.5712 118.2658 57.6226 29.0576 179.1345 37 S 4.0895 7.9514 115.2779 61.3123 63.0619 176.4114 38 F 4.5576 7.8549 120.3573 60.6159 38.6547 177.5236 39 A 4.1674 8.1006 119.8175 55.2351 17.9759 179.6915 40 T 3.8178 7.7455 114.0095 66.7673 68.7511 176.5797 41 F 4.4411 7.8965 118.7197 60.6895 38.7550 177.8143 42 L 4.1430 7.8766 117.0831 57.5923 41.5045 178.8841 43 E 4.3031 8.0314 116.9165 57.5293 29.7319 177.1739 44 G 3.9828 7.4099 107.7006 44.1219 0.0000 171.9342 45 P 4.4036 0.0000 0.0000 65.0446 31.5351 177.8598 46 S 4.6148 8.1782 110.9081 58.8654 64.2678 173.6969 47 A 5.1867 7.8938 122.2656 50.8352 21.2488 176.3450 48 T 4.4235 8.6406 116.5548 62.0005 72.7681 173.2514 49 T 4.6095 8.0671 121.3658 61.7111 71.8729 173.2550 50 F 5.6668 8.7429 122.5437 55.0209 43.3693 174.2743 51 G 4.3992 8.6545 106.3007 44.9889 0.0000 171.1520 52 L 5.2074 8.2656 120.8554 52.5729 44.6458 175.6445 53 F 4.9715 8.9010 121.8460 55.7524 41.6461 175.2000 54 N 4.5778 9.7992 124.0460 54.8803 38.7919 175.2595 55 G 4.0288 7.4400 106.5711 45.9572 0.0000 172.9457 56 E 4.5841 7.9486 117.6357 54.7420 31.8085 176.0751 57 V 4.0614 7.7893 120.5580 61.3893 31.5407 174.7077 58 L 4.0471 8.5352 130.6362 54.8107 42.4937 175.5057 59 Y 4.7291 8.0274 123.2395 56.8426 40.9022 175.7013 60 G 4.3741 7.0762 105.5081 44.6124 0.0000 171.5532 61 T 5.2178 8.8549 115.6128 60.7019 71.5151 172.2985 62 I 5.3545 8.6629 125.6130 59.8238 42.1773 173.6723 63 S 5.1931 9.2867 123.3097 56.6581 67.4184 172.9367 64 I 5.0666 8.6707 115.6289 59.1982 41.0253 174.2090 65 I 4.8927 8.4804 124.9265 59.5093 40.0261 174.9139 66 N 4.7852 8.9910 125.2095 53.0880 39.4667 175.4862 67 D 4.5367 8.7701 122.7552 53.3524 40.2355 176.8343 68 G 4.2033 8.4771 119.0016 45.4688 0.0000 174.3347 69 A 3.9669 8.8390 125.6018 54.2657 18.5938 178.1830 70 Q 4.4360 8.2100 112.2516 55.1021 30.0723 177.8794 71 G 3.9375 7.6401 106.2107 45.7941 0.0000 173.0401 72 L 4.5736 8.1730 120.2063 51.9049 44.7097 175.8568 73 P 4.3766 0.0000 0.0000 65.7790 31.6079 178.6917 74 M 4.1466 8.1389 117.6904 58.0183 30.2313 178.1055 75 D 4.0871 8.1906 119.3984 56.8186 40.7083 178.3040 76 S 4.1272 7.5004 113.2616 60.1803 63.1637 174.7946 77 I 4.2642 7.0588 119.3200 61.8556 41.0307 176.6283 78 Y 5.1241 8.7594 120.0349 56.7394 37.1607 177.8854 79 A 4.1557 7.7776 124.0927 55.5157 18.8936 179.7673 80 V 3.6938 7.6885 108.8923 64.0421 31.8210 178.1344 81 E 4.0259 8.2494 117.7921 58.2221 29.3782 177.9522 82 L 4.4214 7.5226 116.2378 55.3096 42.2912 178.3810 83 A 4.0884 7.6098 120.6735 54.8140 18.0024 179.4584 84 A 3.9395 7.7307 118.5164 54.9669 18.4415 179.4087 85 W 4.6124 7.9422 117.1653 60.0467 29.1332 178.9491 86 R 4.1985 8.2351 117.8605 58.9738 29.2185 179.3202 87 G 3.6472 7.7959 105.3115 47.6805 0.0000 175.3137 88 E 4.2460 7.9608 119.7561 56.6973 30.9300 176.8212 89 G 3.8164 7.8602 105.9523 45.9126 0.0000 172.7950 90 K 4.6740 7.4126 116.7677 54.2935 35.5422 176.4542 91 K 4.2654 8.9218 124.5553 56.3249 33.0763 175.8092 92 L 5.4184 8.5307 126.4252 53.3729 45.6734 175.0799 93 A 5.0445 8.3860 120.6759 51.0015 23.3907 174.8681 94 E 5.0343 8.9923 120.7365 54.3192 32.4569 175.0938 95 V 4.5342 8.3265 127.7526 62.5216 32.4737 175.4941 96 V 4.3620 9.2314 126.1568 60.7156 34.7323 173.6162 97 Q 3.3331 8.1543 118.5357 56.8994 25.4898 173.7617 98 F 5.5088 8.0252 118.7905 57.2574 40.6928 175.5152 99 A 4.5031 8.7501 127.3516 50.7400 22.7637 174.5514 100 M 5.1411 8.3311 118.9705 53.9134 36.3488 176.3339 101 D 4.5119 8.8369 119.6420 54.9884 42.4501 176.1767 *106 E 4.2536 9.5966 112.9450 56.0119 31.3823 175.6924 107 A 4.1561 7.8730 119.5786 54.7021 18.8223 178.7728 108 V 3.8153 7.7059 108.1279 63.5197 32.0271 176.2473 109 A 4.3608 7.4609 121.5926 49.9244 19.2428 174.1269 110 G 3.5107 8.2063 108.1667 45.8949 0.0000 170.7101 *112 K 4.0380 8.1940 124.5656 54.7620 33.3238 174.8044 113 P 4.2858 0.0000 0.0000 62.9407 32.1053 175.8100 114 S 4.7491 8.1863 114.8529 56.0452 64.8636 173.4509 115 P 4.2496 0.0000 0.0000 65.2963 30.8115 178.8324 116 F 4.6221 7.8141 116.2542 60.0252 38.5441 177.2502 117 E 4.0445 8.1794 118.2063 59.3684 29.3859 178.9973 118 A 3.8037 7.9990 120.0255 55.1357 18.4455 179.3896 119 A 3.9086 7.5298 118.2108 55.3007 17.8637 180.0623 120 S 4.0950 7.9061 113.5418 61.5860 62.8746 176.9268 121 L 3.9636 7.3100 121.6845 57.8208 41.4384 179.4710 122 F 4.5350 7.8596 117.5213 60.7330 38.7241 177.8612 123 T 3.7726 7.9288 115.4615 66.9194 68.3273 176.2206 124 M 3.7360 7.4170 119.4355 58.3903 31.8172 179.0560 125 V 3.6196 7.4852 117.8269 66.0561 31.7795 177.8684 126 L 3.7907 7.9136 120.0218 58.4181 41.7104 179.0651 127 T 3.8259 8.2578 116.2084 66.4081 68.2082 176.2644 128 Y 3.9952 8.1370 121.4419 60.7016 38.8396 177.7740 129 A 3.9811 8.4531 122.0608 55.1368 18.3496 179.6292 130 L 3.8620 7.8676 117.6170 57.7814 41.4725 179.4572 131 E 4.0081 7.5769 117.8117 59.3998 29.5623 178.1245 132 T 3.7766 7.7087 113.4333 63.9586 68.7895 173.9047 133 H 4.0474 7.2974 116.2531 56.7257 26.5066 175.3140 134 I 3.9233 7.7354 119.9618 61.4618 38.0836 176.4278 135 D 4.2276 8.9279 126.0313 57.0105 41.6746 175.7859 136 Y 5.0106 7.5943 115.0174 56.0165 41.8197 174.4329 137 L 4.8703 8.8067 124.8179 53.7874 42.9164 175.7386 138 C 5.0581 9.4055 122.9481 59.3327 30.1123 173.2761 139 I 4.8702 8.8743 122.3475 59.5820 41.3356 174.2056 140 S 5.0879 8.5433 120.9232 56.4145 65.0490 173.2604 141 I 4.5429 8.0896 116.5651 58.5140 41.6608 174.1604 142 N 4.6229 8.4734 121.9785 52.9144 39.1372 174.1161 143 P 4.5243 0.0000 0.0000 64.3045 31.6746 178.1561 144 K 4.1982 8.0408 117.1053 59.3449 33.1488 177.9917 145 H 4.7347 8.7961 116.0436 56.2005 28.8491 176.4193 146 D 4.4722 7.7127 120.1228 57.8548 40.8692 178.0823 147 T 4.0056 7.9710 111.3924 64.4037 67.6088 175.6352 148 F 4.3267 8.2029 123.0296 61.6186 39.5987 177.0027 149 Y 3.9358 8.1433 115.6200 60.3840 37.2883 178.0295 150 S 4.5130 8.0627 115.4819 61.1014 63.3529 176.3958 151 L 3.8593 7.6407 122.4264 57.3313 41.1630 179.0968 152 L 4.1489 7.4656 117.7817 55.9173 41.6339 177.4042 153 G 4.0734 7.0753 106.0725 45.9749 0.0000 173.7059 154 F 4.7052 8.2697 119.5942 56.4413 39.2019 175.9100 155 T 4.1998 8.4903 121.8615 63.0965 69.6616 174.2156 156 Q 4.5588 8.8089 127.8489 56.3517 29.3643 175.4896 157 I 4.3821 8.4860 118.8145 60.4998 38.7162 175.6384 158 G 4.0884 7.4632 109.1033 44.9517 0.0000 173.0390 159 A 4.4137 8.6766 125.8633 50.9352 19.9071 176.6774 160 L 4.3930 8.4118 121.6036 55.5057 42.5091 176.3693 161 K 4.7197 9.2808 125.2010 54.6896 36.9719 175.4816 162 H 4.7072 8.8826 123.1735 55.8354 30.1954 174.0398 163 Y 4.1623 8.8159 129.2285 57.7870 38.9972 176.5925 164 G 3.7574 8.3911 115.3099 46.6792 0.0000 174.6873 165 T 3.8006 7.2296 116.2142 65.4922 68.6772 175.1772 166 V 4.9152 7.4612 117.2452 59.2573 33.0876 174.6090 167 N 4.2815 8.1851 117.5054 53.9935 37.2465 172.5587 168 A 4.8304 7.8544 116.4946 49.8499 23.4873 175.3346 169 P 4.7362 0.0000 0.0000 63.0866 32.3295 176.0413 170 A 4.8813 9.1772 123.4948 50.4782 23.2318 175.0084 171 I 4.7389 8.5838 121.8202 59.3303 40.6011 174.5788 172 A 4.6181 7.8234 127.5896 51.0826 19.9552 176.4724 173 R 5.2603 8.9959 120.5921 54.6186 35.1052 174.1489 174 A 5.8471 9.2714 121.5377 49.8601 23.6381 174.8460 175 L 4.7067 8.4618 120.2921 53.1898 45.7064 174.8971 176 Y 4.1765 8.3190 127.9642 57.2997 38.5005 175.8799 177 V 3.5121 7.8922 127.9514 65.6242 31.4035 175.5092 178 P 4.1693 0.0000 0.0000 64.8758 31.3522 176.4965 179 E 4.7198 7.1830 115.1609 55.1207 29.7366 177.5033 180 W 3.8986 8.0150 115.8465 59.0328 28.9778 178.2587 181 R 3.2068 6.9063 118.6373 58.5261 29.6219 177.8191 182 S 4.4780 7.2232 109.2525 58.6913 63.0683 174.4170 183 Q 4.4796 7.7728 119.1035 56.0041 30.1462 174.7709 184 T 4.6700 7.1957 110.9383 59.9858 69.8951 173.8122 185 L 4.2366 7.8138 123.8009 54.9941 41.7227 176.7995 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 5 K 8.31 4.74 0.00 1.72 1.93 0.00 1.74 0.00 0.00 1.87 0.00 0.00 3.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.54 7.81 6 V 8.60 4.36 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 0.68 0.00 0.00 1.04 0.00 0.00 7 A 8.96 5.04 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 8 R 8.94 4.31 0.00 2.02 1.94 0.00 3.04 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 9 I 9.21 4.78 1.95 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 2.08 0.88 0.00 0.00 *12 A 8.17 4.14 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.24 0.00 2.17 2.11 0.00 3.61 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 2.11 2.14 0.00 14 N 8.13 4.37 0.00 2.93 3.09 0.00 0.00 6.29 7.66 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 15 E 8.14 4.15 0.00 2.24 2.17 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 2.66 2.50 0.00 16 R 7.82 4.05 0.00 2.03 1.97 0.00 3.11 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 17 D 8.29 4.34 0.00 2.80 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 18 A 7.98 4.03 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 19 A 7.76 3.85 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 7.96 3.89 0.00 2.02 1.95 0.00 3.12 0.00 0.00 3.18 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 21 R 7.83 3.90 0.00 2.09 1.95 0.00 3.12 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.80 0.00 22 I 7.58 3.70 1.92 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.86 0.93 0.00 0.00 23 V 7.48 3.27 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 0.24 0.00 0.00 0.80 0.00 0.00 24 R 8.01 3.84 0.00 2.06 1.90 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 25 T 7.83 3.95 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 26 T 8.02 3.91 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 1.28 0.00 0.00 27 Y 8.42 4.15 0.00 3.11 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 28 E 8.55 4.25 0.00 2.25 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 2.35 2.37 0.00 29 A 7.72 4.01 1.31 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 30 Q 7.44 4.17 0.00 1.34 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.73 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 31 G 7.18 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 32 Y 7.78 4.92 0.00 2.87 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 33 A 9.33 4.50 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 34 I 8.49 5.00 1.95 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 1.47 0.82 0.97 0.00 0.00 35 D 8.77 5.09 0.00 2.77 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 36 E 8.57 4.32 0.00 2.03 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 2.41 2.38 0.00 37 S 7.95 4.09 0.00 3.91 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 38 F 7.85 4.56 0.00 3.33 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 39 A 8.10 4.17 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 40 T 7.75 3.82 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 41 F 7.90 4.44 0.00 3.48 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 42 L 7.88 4.14 0.00 1.71 1.75 0.91 0.78 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 43 E 8.03 4.30 0.00 1.92 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 44 G 7.41 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 45 P 0.00 4.40 0.00 2.09 2.14 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 46 S 8.18 4.61 0.00 4.07 4.16 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 47 A 7.89 5.19 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 48 T 8.64 4.42 3.59 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 0.69 0.00 0.00 49 T 8.07 4.61 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 1.17 0.00 0.00 50 F 8.74 5.67 0.00 3.00 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 51 G 8.65 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 8.27 5.21 0.00 0.54 1.01 0.85 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.90 4.97 0.00 2.97 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 54 N 9.80 4.58 0.00 2.86 2.87 0.00 0.00 7.03 7.37 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 55 G 7.44 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 56 E 7.95 4.58 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.25 0.00 57 V 7.79 4.06 2.21 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 1.05 0.00 0.00 1.01 0.00 0.00 58 L 8.54 4.05 0.00 1.22 1.41 -0.10 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 59 Y 8.03 4.73 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 60 G 7.08 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 0.00 0.00 0.00 0.00 61 T 8.85 5.22 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 1.21 0.00 0.00 62 I 8.66 5.35 2.11 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 1.38 2.00 1.16 0.00 0.00 63 S 9.29 5.19 0.00 3.75 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 64 I 8.67 5.07 1.89 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 0.87 1.02 0.96 0.00 0.00 65 I 8.48 4.89 1.76 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.72 0.87 0.00 0.00 66 N 8.99 4.79 0.00 2.84 2.81 0.00 0.00 7.03 8.13 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 67 D 8.77 4.54 0.00 2.81 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 68 G 8.48 4.20 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 0.00 69 A 8.84 3.97 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 70 Q 8.21 4.44 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 71 G 7.64 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.17 4.57 0.00 1.80 1.67 0.99 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.38 0.00 2.41 2.14 0.00 3.44 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.62 0.00 74 M 8.14 4.15 0.00 2.23 2.30 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.86 0.00 75 D 8.19 4.09 0.00 2.94 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 76 S 7.50 4.13 0.00 3.77 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 77 I 7.06 4.26 1.69 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.37 -0.18 0.00 0.00 78 Y 8.76 5.12 0.00 3.06 2.88 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 79 A 7.78 4.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 V 7.69 3.69 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 0.81 0.00 0.00 0.94 0.00 0.00 81 E 8.25 4.03 0.00 2.13 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 2.56 2.42 0.00 82 L 7.52 4.42 0.00 1.82 1.83 1.04 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 83 A 7.61 4.09 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 84 A 7.73 3.94 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 85 W 7.94 4.61 0.00 3.60 3.12 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 86 R 8.24 4.20 0.00 1.91 2.05 0.00 3.20 0.00 0.00 3.42 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.91 0.00 87 G 7.80 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 88 E 7.96 4.25 0.00 2.24 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 2.41 2.40 0.00 89 G 7.86 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 90 K 7.41 4.67 0.00 1.80 1.84 0.00 2.05 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.53 1.45 7.81 91 K 8.92 4.27 0.00 1.86 1.68 0.00 1.57 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.43 7.81 92 L 8.53 5.42 0.00 1.68 1.60 1.13 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 93 A 8.39 5.04 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 94 E 8.99 5.03 0.00 2.04 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 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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 0.00 108 V 7.71 3.82 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.91 0.00 0.00 109 A 7.46 4.36 1.19 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 0.00 0.00 0.00 110 G 8.21 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 0.00 0.00 0.00 *112 K 8.19 4.04 0.00 1.75 1.77 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.44 7.81 113 P 0.00 4.29 0.00 2.01 1.99 0.00 3.60 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 114 S 8.19 4.75 0.00 4.08 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 0.00 115 P 0.00 4.25 0.00 1.79 1.99 0.00 3.31 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 1.89 2.04 0.00 116 F 7.81 4.62 0.00 3.11 3.01 0.00 0.00 0.00 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1.01 0.00 0.00 133 H 7.30 4.05 0.00 3.28 3.30 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 I 7.74 3.92 1.97 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 1.32 0.44 0.90 0.00 0.00 135 D 8.93 4.23 0.00 2.66 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 0.00 136 Y 7.59 5.01 0.00 2.39 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 0.00 137 L 8.81 4.87 0.00 1.67 1.82 0.96 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 138 C 9.41 5.06 0.00 2.97 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 0.00 139 I 8.87 4.87 1.74 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 1.13 0.10 0.28 0.00 0.00 140 S 8.54 5.09 0.00 3.43 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 I 8.09 4.54 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.86 0.25 0.00 0.00 142 N 8.47 4.62 0.00 2.73 2.82 0.00 0.00 6.93 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 P 0.00 4.52 0.00 2.26 2.12 0.00 3.67 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 144 K 8.04 4.20 0.00 1.91 2.00 0.00 1.63 0.00 0.00 1.83 0.00 0.00 3.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.56 1.61 7.81 145 H 8.80 4.73 0.00 3.58 3.95 0.00 5.83 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 7.71 4.47 0.00 2.82 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 T 7.97 4.01 4.30 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 1.29 0.00 0.00 148 F 8.20 4.33 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 0.00 149 Y 8.14 3.94 0.00 3.10 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 0.00 150 S 8.06 4.51 0.00 4.06 4.20 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 0.00 151 L 7.64 3.86 0.00 1.71 1.66 0.93 0.94 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 0.00 152 L 7.47 4.15 0.00 1.72 1.98 0.83 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.08 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 0.00 154 F 8.27 4.71 0.00 3.18 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 0.00 155 T 8.49 4.20 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 1.26 0.00 0.00 156 Q 8.81 4.56 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.84 0.00 0.00 0.00 0.00 0.00 2.52 2.35 0.00 157 I 8.49 4.38 1.59 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.82 0.92 0.00 0.00 158 G 7.46 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 0.00 159 A 8.68 4.41 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 L 8.41 4.39 0.00 1.69 1.65 1.02 0.54 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 0.00 161 K 9.28 4.72 0.00 1.59 1.53 0.00 1.40 0.00 0.00 1.49 0.00 0.00 2.81 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.35 1.58 7.81 162 H 8.88 4.71 0.00 3.13 3.28 0.00 5.93 0.00 0.00 0.00 0.00 6.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 Y 8.82 4.16 0.00 3.04 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 0.00 164 G 8.39 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 0.00 0.00 0.00 165 T 7.23 3.80 3.18 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 0.70 0.00 0.00 166 V 7.46 4.92 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 1.25 0.00 0.00 167 N 8.19 4.28 0.00 2.93 3.00 0.00 0.00 6.77 7.96 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 0.00 168 A 7.85 4.83 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 0.00 169 P 0.00 4.74 0.00 1.98 2.04 0.00 3.69 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 170 A 9.18 4.88 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 0.00 171 I 8.58 4.74 1.84 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 1.18 1.09 0.90 0.00 0.00 172 A 7.82 4.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 9.00 5.26 0.00 1.66 1.92 0.00 3.11 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.43 0.00 174 A 9.27 5.85 1.51 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 0.00 0.00 175 L 8.46 4.71 0.00 0.42 1.03 0.76 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 176 Y 8.32 4.18 0.00 3.07 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 0.00 177 V 7.89 3.51 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 0.61 0.00 0.00 0.78 0.00 0.00 178 P 0.00 4.17 0.00 1.29 1.81 0.00 2.20 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.68 0.00 179 E 7.18 4.72 0.00 2.15 1.85 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 2.23 2.35 0.00 180 W 8.02 3.90 0.00 3.46 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 181 R 6.91 3.21 0.00 1.39 1.13 0.00 2.46 0.00 0.00 3.09 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.97 0.00 182 S 7.22 4.48 0.00 3.76 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 Q 7.77 4.48 0.00 2.08 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.32 0.00 184 T 7.20 4.67 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 1.23 0.00 0.00 185 L 7.81 4.24 0.00 1.77 1.55 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.