NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1373 8.2649 123.4977 52.4824 20.6255 178.2461 2 T 3.7573 6.9666 110.7003 65.8784 68.5025 172.4428 3 G 4.1201 8.2082 109.0565 44.7349 0.0000 170.8990 4 P 4.3301 0.0000 0.0000 65.2399 31.5209 177.5123 5 R 4.1425 7.8772 116.0545 57.1874 30.4867 175.7179 6 Y 3.8424 7.4636 118.1198 58.0805 39.1609 175.0048 7 K 4.2347 7.3205 127.6446 54.5508 33.2520 175.1511 8 V 4.3529 8.0998 126.3855 60.3636 32.8220 173.7841 9 P 4.4124 0.0000 0.0000 62.3484 32.0480 175.9791 10 M 4.0591 8.3124 119.3700 55.4973 32.7571 177.3550 11 R 3.9736 8.9084 123.1060 60.0697 30.3369 178.6308 12 R 4.2211 8.0641 115.1579 57.5499 30.0061 178.2940 13 R 4.1752 8.6722 120.6177 58.9550 30.3433 178.3616 14 R 4.0321 7.9731 113.7504 59.1139 29.3992 177.8477 15 E 4.0463 8.2540 117.8863 56.3966 30.2650 176.0381 16 A 3.8087 8.5330 120.9395 53.8785 16.2261 177.9991 17 R 4.5252 8.1053 118.8031 56.6914 33.0846 177.0263 18 T 4.3394 7.7791 113.4364 61.2318 71.0185 174.1663 19 D 4.6723 8.3252 126.4874 53.0656 40.3993 175.6909 20 Y 3.8853 8.5616 124.1584 60.8612 37.6079 177.9184 21 H 4.1224 8.4000 116.8657 58.9506 28.9358 177.4347 22 Q 4.0496 8.3949 121.3500 58.7666 28.7966 177.7924 23 R 3.8014 8.1773 120.2634 59.4125 30.0767 177.9024 24 L 3.9100 7.8190 119.7141 58.5425 41.8799 178.9005 25 R 3.9409 7.3952 115.2581 59.3684 30.3131 178.5570 26 L 4.0772 7.9883 119.7226 58.3291 42.3239 179.1426 27 L 4.0741 8.3244 119.0357 57.4491 41.2936 179.3605 28 K 4.1930 7.9422 117.5288 58.4041 31.9463 178.8464 29 S 4.2621 7.8194 114.8621 59.5151 63.0975 175.3380 30 G 3.9627 8.1699 110.0132 44.8269 0.0000 173.5159 31 K 4.4272 6.9997 116.8958 54.9390 33.6589 175.0473 32 P 4.6318 0.0000 0.0000 62.5789 32.9147 175.8685 33 R 4.7627 8.8171 121.8697 55.4889 32.0172 175.8851 34 L 4.6460 8.4221 126.3924 53.3766 41.8154 173.5188 35 V 4.1142 9.0187 122.3668 62.6978 32.3645 173.8826 36 A 4.9935 8.3942 130.8792 50.5007 20.1390 176.2608 37 R 4.6345 8.8240 121.0910 54.7113 34.7163 175.3479 38 K 4.7621 8.1036 121.0381 55.6442 35.0542 174.9118 39 S 4.5370 8.1950 112.2281 57.8401 65.6651 175.9542 40 N 4.3259 9.0636 122.2648 56.0562 38.3980 176.3360 41 K 4.2592 7.9774 114.6803 57.0033 33.5228 175.5041 42 H 5.0489 7.5103 111.4780 53.6808 32.2301 172.2530 43 V 4.5194 8.1352 118.8040 61.5246 35.3395 174.1724 44 R 5.0802 8.7646 124.9549 54.8362 34.0163 173.3017 45 A 5.2788 8.9515 127.5005 50.2392 22.1295 174.9363 46 Q 4.8096 8.7461 120.7267 54.0645 33.1682 174.4320 47 L 4.7674 9.4072 125.2641 54.1035 42.7644 175.9358 48 V 4.8658 9.2150 125.4872 61.3274 34.3277 174.3521 49 T 4.9300 9.0164 120.3669 59.8274 71.0385 172.7511 50 L 4.3737 8.5858 128.5755 55.1676 43.0164 176.0135 51 G 4.5576 8.2679 111.6651 42.1264 0.0000 171.6761 52 P 4.4258 0.0000 0.0000 64.6259 31.4149 177.3687 53 N 4.8990 9.1405 112.4112 51.6903 40.0915 174.0805 54 G 4.2338 6.9426 105.3019 43.5591 0.0000 172.3333 55 D 4.9498 7.9948 119.8867 54.2974 41.9887 175.9501 56 D 4.9591 9.5443 121.1767 52.9205 44.1571 175.3354 57 T 4.7457 8.4987 120.1079 62.5716 68.7610 174.6155 58 L 4.3796 8.8507 127.7635 56.9868 42.7051 177.3191 59 A 4.7724 7.6637 118.0469 51.1789 22.4177 175.3659 60 S 5.0235 8.2486 112.5744 57.6792 65.7865 173.9632 61 A 4.7970 9.0568 122.2210 50.6023 22.5964 174.5721 62 H 5.2456 8.7760 118.0067 54.0211 33.0453 174.8582 63 S 4.2209 8.6584 119.4833 61.0690 63.3858 176.2167 64 S 4.2708 8.5929 116.3589 61.5884 62.8537 176.0395 65 D 4.6392 7.5615 116.4871 53.0448 38.9719 177.3784 66 L 4.0810 8.0597 124.3058 58.1252 41.9838 178.3857 67 A 4.5446 8.0955 121.7987 54.5075 18.1893 178.5881 68 E 3.8722 8.4577 115.9274 58.6202 29.7739 177.2350 69 Y 4.6591 8.0028 113.7207 57.3364 39.2191 175.0314 70 G 4.2820 8.5413 111.1315 45.8270 0.0000 173.6848 71 W 4.8742 8.5651 129.3409 55.2631 32.4551 175.4553 72 E 4.4438 7.8166 122.9170 55.3651 30.8081 175.2198 73 A 2.8838 5.8000 120.3216 50.0426 19.3623 174.4270 74 P 4.3830 0.0000 0.0000 63.0776 31.5801 176.1299 75 T 4.8991 7.6870 104.3219 60.5789 69.9947 175.4527 76 G 3.9559 8.2893 109.0263 46.1418 0.0000 173.1864 77 N 4.6391 8.1189 124.0686 53.2178 38.3575 175.2851 *78 M 4.4961 8.1128 116.7701 53.8453 33.7153 173.9670 79 P 4.8691 0.0000 0.0000 64.9641 31.3645 178.3728 80 S 3.7692 8.4141 111.9303 61.2515 62.4173 175.7247 81 A 3.9974 8.1019 123.6755 55.5587 18.1291 178.5512 82 Y 4.1574 7.7250 116.9648 61.3024 38.8106 178.4557 83 L 4.0352 8.2373 119.2715 58.2778 41.6279 179.8952 84 T 3.8074 7.9183 115.6622 66.5033 68.3575 176.9437 85 G 3.4969 7.8362 107.5423 47.5056 0.0000 175.5277 86 L 3.8828 7.6289 122.6090 57.6666 42.0426 178.6312 87 L 3.6894 8.0068 120.3955 58.1689 41.9202 178.7357 88 A 4.0029 8.2747 121.0519 55.0615 18.3178 179.7359 89 G 3.5124 8.4686 104.4329 47.9730 0.0000 175.7546 90 L 3.9826 8.3241 122.0964 57.6580 41.4350 179.9710 91 R 3.9195 8.0058 116.6087 58.9727 30.2038 178.7231 92 A 4.1094 8.1840 120.9909 55.2800 18.4394 179.4287 93 Q 4.1764 8.0000 117.8737 58.6932 28.5826 179.2684 94 E 4.0113 7.7824 118.0105 59.1478 29.5378 178.3614 95 A 4.4111 7.6096 118.0826 52.1293 18.7708 177.9097 96 G 3.9387 8.1250 108.6896 45.6369 0.0000 175.0439 97 V 3.6700 7.6376 119.4270 63.6711 32.0953 175.8029 98 E 4.7852 8.8403 123.8878 56.4214 32.8790 175.3312 99 E 5.2682 8.1206 114.4652 54.8138 33.3576 174.5258 100 A 4.8626 9.0636 121.9088 51.1400 23.9331 175.0073 101 V 4.5987 8.4700 118.2942 60.6968 34.6480 174.3082 102 L 4.2262 8.8094 130.0557 55.6364 42.8194 175.6564 103 D 4.7708 8.6695 128.4990 52.4021 42.6509 176.0370 104 I 4.1210 8.2614 120.3839 60.3356 39.1140 177.1891 105 G 3.7249 8.3552 112.5220 47.8963 0.0000 174.5882 106 L 4.4721 8.3723 121.2138 54.8876 41.8387 176.2334 107 N 4.7535 7.8214 116.1239 52.2195 40.1048 174.6774 108 S 4.7521 7.9952 115.3277 56.6360 64.4167 174.2074 109 P 4.3928 0.0000 0.0000 62.3900 30.8231 177.0245 110 T 3.9981 7.8199 115.2915 62.9685 68.9546 172.3935 111 P 4.7424 0.0000 0.0000 64.1925 31.7339 176.9863 112 G 4.0321 9.2308 111.2359 45.9651 0.0000 174.4530 113 S 4.3430 7.9402 116.1877 58.1490 64.6945 175.2693 114 K 3.9981 8.4905 122.6706 59.8541 31.7019 180.0435 115 V 3.3142 7.6474 111.7601 63.7129 31.3575 177.9939 116 F 4.7875 7.8427 116.8642 59.5371 39.1876 177.7131 117 A 4.1663 8.2445 120.8401 55.2062 18.2301 179.4796 118 I 3.5487 8.4437 119.0876 64.6213 37.1472 178.0628 119 Q 3.9513 7.7505 120.2377 59.4991 28.8179 178.1758 120 E 3.9878 8.5572 120.3045 59.2521 29.5909 179.0653 121 G 2.7435 7.8615 105.2939 47.5681 0.0000 175.5376 122 A 4.0286 7.8724 123.8811 54.6686 18.2518 179.8744 123 I 4.2705 7.8204 119.8422 64.2479 36.9769 178.3472 124 D 4.3418 8.2393 118.7583 57.1419 40.7103 178.1474 125 A 4.2025 7.6183 118.0508 52.8487 18.2784 178.1186 126 G 3.8733 8.0775 106.7486 44.6915 0.0000 173.6386 127 L 4.3316 7.5437 123.2202 54.6671 43.6512 175.5212 128 D 4.7833 9.2035 127.0919 53.7956 41.7690 175.5320 129 I 5.4487 7.9978 123.8531 57.4082 40.7413 173.6262 130 P 4.3978 0.0000 0.0000 63.3780 31.6970 175.2893 131 H 4.7850 8.3490 119.1262 54.1467 32.0118 171.9400 132 N 4.6598 8.2284 116.4670 52.0086 40.6947 174.0739 133 D 4.3691 9.0014 127.0477 57.7276 41.0023 178.5648 134 D 4.7746 7.8511 114.1878 53.8710 39.0733 176.8655 135 V 4.1809 7.6730 118.1031 61.4782 32.1492 174.7468 136 L 4.7044 7.6171 121.4559 52.7860 42.8628 176.3022 137 A 4.1560 8.7492 126.6428 52.1670 19.1174 176.7565 138 D 4.6157 8.6807 118.9981 52.9508 40.5604 177.4646 139 W 5.1888 8.9204 132.3668 61.1231 31.5174 177.7902 140 Q 3.7644 8.5414 117.0341 59.1426 28.0131 179.1206 141 R 3.8514 7.9197 119.3441 59.7693 30.0956 178.5542 142 T 3.6840 7.5339 115.5606 66.6829 68.1274 176.6342 143 R 2.5100 6.7445 119.0236 56.8535 30.2807 177.5482 144 G 4.0360 8.0066 105.9164 45.0808 0.0000 175.0272 145 A 3.9495 8.2771 123.2524 55.5395 17.9749 179.6095 146 H 4.1030 8.3196 111.7491 58.9872 28.5132 177.0840 147 I 3.8424 7.4593 120.8457 63.5490 37.7583 177.2489 148 A 3.9095 7.9563 121.1298 55.6448 18.1897 179.2245 149 E 3.8770 8.1390 115.9152 59.7680 29.6850 179.2079 150 Y 4.3425 7.8213 119.2203 60.5803 38.3043 177.1969 151 D 4.2271 8.3374 118.8297 56.1660 41.0609 177.7201 152 E 3.9336 7.6995 119.6040 59.1235 30.1968 178.1156 153 Q 4.4037 7.4492 116.7267 54.9678 29.7791 177.1557 154 L 3.9083 6.8037 120.4748 54.9102 41.6276 179.6099 155 E 4.0830 10.7800 117.1822 56.1994 29.1549 173.6331 156 E 4.5227 7.8348 114.2077 54.6839 33.9333 173.2612 157 P 4.0987 0.0000 0.0000 62.7567 32.0401 176.2130 158 L 3.8942 8.3126 123.8291 57.3995 42.2263 176.8032 159 Y 4.9733 7.3795 115.0476 56.1364 39.2993 175.1631 160 S 4.1324 8.7666 120.0339 61.4572 62.8396 175.1195 161 G 3.8686 7.7891 108.0970 45.5648 0.0000 173.3069 162 D 4.7839 8.1422 119.5921 52.4176 39.9437 176.1780 163 F 4.3414 8.6359 125.7664 58.6977 40.3113 175.0863 164 D 4.7304 7.7805 120.6050 52.3132 41.0015 176.4360 165 A 3.9551 7.7786 124.1034 54.2811 17.7204 178.8108 166 A 4.3812 8.5142 118.0642 50.5049 19.0323 178.5861 167 D 5.2482 7.6475 117.6729 53.8307 40.9665 173.3973 168 L 4.6010 8.0333 117.3076 52.1819 44.4601 175.8589 169 P 4.5281 0.0000 0.0000 64.9209 31.3854 178.4640 170 E 4.3878 8.2228 118.9356 59.0065 29.2473 178.4308 171 H 4.5206 8.1957 118.0276 59.2379 29.8590 176.8933 172 F 4.6056 8.3883 122.2889 61.8116 38.9749 176.9211 173 D 4.2005 8.1944 117.8319 57.3469 40.5456 178.4086 174 E 4.0326 8.7914 119.5666 59.2567 29.4457 179.1957 175 L 4.1025 8.4450 120.7146 57.9484 42.1848 178.7505 176 R 3.7584 8.0410 119.1313 59.4090 29.6819 177.9975 177 E 3.9410 8.3846 119.2223 59.6827 29.3480 179.0414 178 T 3.9670 7.3925 114.9836 66.5160 68.5904 176.5216 179 L 4.1885 7.8756 119.9709 57.7878 41.8463 179.2270 180 L 4.0969 8.0811 118.0348 56.4850 41.8675 177.6592 181 D 4.3670 7.3660 118.3772 53.9864 41.2005 175.6707 182 G 3.9089 8.7524 115.0723 49.1181 0.0000 175.1623 183 D 3.5532 8.7340 111.3355 54.7490 40.6364 179.4454 184 I 2.9798 8.9349 117.1466 62.8568 37.4226 173.0451 185 E 4.3206 8.4427 128.0467 55.1185 28.0985 176.6330 186 L 4.3338 8.2294 122.1418 54.8919 41.6710 177.3704 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 A 8.26 4.14 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 T 6.97 3.76 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 1.23 0.00 0.00 3 G 8.21 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.33 0.00 2.07 2.14 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 5 R 7.88 4.14 0.00 1.79 1.97 0.00 3.25 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 6 Y 7.46 3.84 0.00 3.10 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 7 K 7.32 4.23 0.00 1.53 1.36 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.20 1.30 7.81 8 V 8.10 4.35 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.21 0.00 0.00 9 P 0.00 4.41 0.00 2.09 1.96 0.00 3.79 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 2.05 2.09 0.00 10 M 8.31 4.06 0.00 1.88 1.66 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 11 R 8.91 3.97 0.00 1.89 2.00 0.00 3.20 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.79 0.00 12 R 8.06 4.22 0.00 2.16 2.12 0.00 3.18 0.00 0.00 3.26 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 13 R 8.67 4.18 0.00 1.91 2.07 0.00 3.25 0.00 0.00 3.34 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.70 0.00 14 R 7.97 4.03 0.00 2.03 2.09 0.00 3.11 0.00 0.00 3.26 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 15 E 8.25 4.05 0.00 2.09 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 2.36 2.46 0.00 16 A 8.53 3.81 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 17 R 8.11 4.53 0.00 1.82 1.93 0.00 3.36 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.74 0.00 18 T 7.78 4.34 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 0.45 0.00 0.00 19 D 8.33 4.67 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 Y 8.56 3.89 0.00 3.10 3.01 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 21 H 8.40 4.12 0.00 3.40 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 8.39 4.05 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 23 R 8.18 3.80 0.00 1.72 1.93 0.00 2.74 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 24 L 7.82 3.91 0.00 1.84 1.82 0.93 1.05 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 25 R 7.40 3.94 0.00 2.04 2.02 0.00 3.25 0.00 0.00 3.38 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 26 L 7.99 4.08 0.00 2.01 1.71 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.32 4.07 0.00 1.83 1.71 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 28 K 7.94 4.19 0.00 1.94 1.87 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.63 7.81 29 S 7.82 4.26 0.00 4.05 3.99 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 30 G 8.17 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 7.00 4.43 0.00 1.70 1.76 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.41 7.81 32 P 0.00 4.63 0.00 2.06 2.02 0.00 3.83 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 2.10 2.10 0.00 33 R 8.82 4.76 0.00 1.73 1.81 0.00 3.30 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.55 0.00 34 L 8.42 4.65 0.00 1.76 1.55 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 35 V 9.02 4.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.90 0.00 0.00 36 A 8.39 4.99 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 37 R 8.82 4.63 0.00 1.67 1.74 0.00 3.22 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.69 0.00 38 K 8.10 4.76 0.00 1.59 1.73 0.00 1.75 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.35 7.81 39 S 8.20 4.54 0.00 3.79 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 40 N 9.06 4.33 0.00 2.75 2.89 0.00 0.00 6.87 7.61 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 41 K 7.98 4.26 0.00 1.65 1.64 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.41 7.81 42 H 7.51 5.05 0.00 3.23 3.10 0.00 5.56 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.14 4.52 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 0.89 0.00 0.00 0.96 0.00 0.00 44 R 8.76 5.08 0.00 1.74 1.61 0.00 3.08 0.00 0.00 3.20 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 45 A 8.95 5.28 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 46 Q 8.75 4.81 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.87 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 47 L 9.41 4.77 0.00 1.64 1.59 0.90 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.22 4.87 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 1.03 0.00 0.00 0.96 0.00 0.00 49 T 9.02 4.93 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 1.21 0.00 0.00 50 L 8.59 4.37 0.00 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0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 59 A 7.66 4.77 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 60 S 8.25 5.02 0.00 3.96 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 61 A 9.06 4.80 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 62 H 8.78 5.25 0.00 3.19 3.35 0.00 5.60 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 S 8.66 4.22 0.00 4.06 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 64 S 8.59 4.27 0.00 3.93 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 65 D 7.56 4.64 0.00 3.08 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 8.06 4.08 0.00 1.68 1.76 0.57 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 67 A 8.10 4.54 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.46 3.87 0.00 2.06 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.36 0.00 69 Y 8.00 4.66 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.54 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 0.00 0.00 0.00 0.00 71 W 8.57 4.87 0.00 3.42 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 72 E 7.82 4.44 0.00 1.98 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 2.32 2.30 0.00 73 A 5.80 2.88 -0.08 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 74 P 0.00 4.38 0.00 1.99 1.94 0.00 3.17 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.37 0.00 75 T 7.69 4.90 4.35 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0.00 0.00 1.66 1.78 0.00 92 A 8.18 4.11 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 93 Q 8.00 4.18 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.72 0.00 0.00 0.00 0.00 0.00 2.50 2.55 0.00 94 E 7.78 4.01 0.00 2.11 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 2.35 2.49 0.00 95 A 7.61 4.41 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 96 G 8.13 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 97 V 7.64 3.67 2.13 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 0.97 0.00 0.00 0.92 0.00 0.00 98 E 8.84 4.79 0.00 1.90 1.89 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 2.27 2.50 0.00 99 E 8.12 5.27 0.00 1.97 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 2.15 2.28 0.00 100 A 9.06 4.86 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 A 8.24 4.17 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 I 8.44 3.55 2.05 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.99 0.86 0.00 0.00 119 Q 7.75 3.95 0.00 2.20 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 120 E 8.56 3.99 0.00 2.18 2.35 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 2.79 2.43 0.00 121 G 7.86 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 7.87 4.03 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 0.00 123 I 7.82 4.27 1.91 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.78 0.84 0.00 0.00 124 D 8.24 4.34 0.00 2.81 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 0.00 125 A 7.62 4.20 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 0.00 126 G 8.08 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 L 7.54 4.33 0.00 1.84 1.56 0.93 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.20 4.78 0.00 2.76 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 0.00 0.00 0.00 0.00 129 I 8.00 5.45 1.87 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 1.35 1.88 0.93 0.00 0.00 130 P 0.00 4.40 0.00 1.94 2.01 0.00 3.69 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 131 H 8.35 4.78 0.00 3.23 3.23 0.00 5.48 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 8.23 4.66 0.00 2.58 2.51 0.00 0.00 6.89 8.49 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 0.00 133 D 9.00 4.37 0.00 2.72 2.70 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 0.00 134 D 7.85 4.77 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 7.67 4.18 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 0.14 0.00 0.00 0.74 0.00 0.00 136 L 7.62 4.70 0.00 1.75 1.68 0.91 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.75 4.16 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 0.00 138 D 8.68 4.62 0.00 2.91 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 0.00 139 W 8.92 5.19 0.00 3.28 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 0.00 140 Q 8.54 3.76 0.00 2.24 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.38 0.00 141 R 7.92 3.85 0.00 1.84 1.97 0.00 3.01 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.39 0.00 142 T 7.53 3.68 3.99 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 1.14 0.00 0.00 143 R 6.74 2.51 0.00 1.62 1.64 0.00 2.73 0.00 0.00 2.77 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.50 0.00 144 G 8.01 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 0.00 145 A 8.28 3.95 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 0.00 146 H 8.32 4.10 0.00 3.30 3.42 0.00 5.53 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 I 7.46 3.84 1.68 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.34 0.99 0.00 0.00 148 A 7.96 3.91 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 0.00 149 E 8.14 3.88 0.00 2.09 2.05 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 2.33 2.49 0.00 150 Y 7.82 4.34 0.00 3.03 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 0.00 151 D 8.34 4.23 0.00 2.61 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 7.70 3.93 0.00 1.98 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 2.31 2.38 0.00 153 Q 7.45 4.40 0.00 2.24 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 154 L 6.80 3.91 0.00 1.92 0.63 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 155 E 10.78 4.08 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.28 0.00 156 E 7.83 4.52 0.00 1.92 1.76 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 2.18 2.19 0.00 157 P 0.00 4.10 0.00 2.02 2.01 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 158 L 8.31 3.89 0.00 1.33 1.32 0.82 0.95 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 0.00 159 Y 7.38 4.97 0.00 3.06 2.82 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 0.00 160 S 8.77 4.13 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 0.00 161 G 7.79 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 D 8.14 4.78 0.00 2.69 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 0.00 0.00 0.00 0.00 163 F 8.64 4.34 0.00 2.80 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 0.00 164 D 7.78 4.73 0.00 2.75 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 0.00 0.00 0.00 0.00 165 A 7.78 3.96 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 0.00 166 A 8.51 4.38 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 0.00 167 D 7.65 5.25 0.00 2.83 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 0.00 168 L 8.03 4.60 0.00 1.66 1.55 0.75 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 169 P 0.00 4.53 0.00 2.16 2.16 0.00 3.62 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 170 E 8.22 4.39 0.00 2.10 2.05 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 2.42 2.33 0.00 171 H 8.20 4.52 0.00 3.36 3.49 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 F 8.39 4.61 0.00 3.44 3.40 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 0.00 173 D 8.19 4.20 0.00 3.01 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 E 8.79 4.03 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.65 0.00 175 L 8.45 4.10 0.00 2.07 1.81 1.07 0.76 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 0.00 176 R 8.04 3.76 0.00 1.32 1.64 0.00 3.27 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 177 E 8.38 3.94 0.00 2.18 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 0.00 2.34 2.43 0.00 178 T 7.39 3.97 4.51 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 1.35 0.00 0.00 179 L 7.88 4.19 0.00 1.58 1.64 0.73 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 180 L 8.08 4.10 0.00 1.73 1.76 1.03 1.10 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 0.00 181 D 7.37 4.37 0.00 2.74 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 0.00 182 G 8.75 3.91 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 0.00 183 D 8.73 3.55 0.00 2.94 2.47 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 0.00 184 I 8.93 2.98 1.98 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 1.68 1.05 1.06 0.00 0.00 185 E 8.44 4.32 0.00 1.90 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 186 L 8.23 4.33 0.00 1.67 1.62 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.