NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.1674 8.0549 120.3871 62.0812 34.8238 175.8032 8 K 4.0859 7.7515 114.5347 54.6833 32.4923 175.2627 9 E 4.0242 10.1238 127.9564 60.1441 31.5246 179.9188 10 L 3.9624 7.8378 118.5030 57.2529 42.0731 178.3405 11 L 4.1706 8.9944 118.7628 57.8801 43.2495 178.6035 12 E 3.6891 7.9661 117.7243 56.0327 28.0100 180.2134 13 A 3.0716 9.3490 124.5782 54.9157 19.1610 179.5265 14 G 3.7077 9.6652 102.3684 48.5844 0.0000 175.1377 15 V 4.2763 6.8716 107.8865 59.9730 33.4122 173.6023 16 H 4.9939 7.5481 110.7537 56.4934 33.2186 174.0515 17 F 4.9869 7.4414 117.5026 57.0506 37.5509 178.1622 18 G 3.4359 7.3764 104.9015 43.2393 0.0000 172.5765 19 H 4.5991 8.5260 121.4914 55.7921 33.5896 173.0594 20 E 3.2376 8.2263 115.5121 57.4778 27.3971 175.4816 21 R 4.5516 8.0953 118.7069 56.6201 31.0715 175.2252 22 K 3.8668 9.2245 121.5734 57.1180 29.2157 176.4107 23 R 4.7108 7.6335 112.6487 55.5323 31.7208 176.4663 24 W 5.0693 8.0895 112.9101 56.1793 28.5916 174.5648 25 N 4.1227 8.3171 117.5889 51.6959 39.4969 173.9159 26 P 2.9700 0.0000 0.0000 64.6890 31.1528 178.3687 27 K 3.9348 8.7911 118.9261 58.7179 32.3389 178.0672 28 F 3.7723 9.2539 121.0463 60.7470 39.5648 177.9906 29 A 3.9995 7.7079 122.6018 54.8360 18.9835 179.3165 30 R 3.9906 7.8282 111.9678 59.1620 29.1714 176.7749 31 Y 5.0068 8.4057 115.5358 57.5814 38.1135 174.2585 32 I 4.7878 8.2571 120.6102 59.5405 40.3132 174.4701 33 Y 4.3989 8.9817 129.6403 59.3778 39.1433 174.8368 34 A 4.2469 7.3799 119.5745 51.5954 22.0467 175.0386 35 E 5.0191 8.0371 120.8404 53.8898 28.5744 175.0977 36 R 4.2961 7.5417 121.2007 55.4636 32.0475 176.0799 37 N 4.1673 9.5403 117.1413 54.5259 37.3170 175.6362 38 G 3.8960 8.2375 102.9603 45.0911 0.0000 174.1615 39 I 4.3169 7.3224 120.9941 59.5125 38.8575 174.5587 40 H 4.4406 8.5922 121.5904 56.0005 29.7473 174.3326 41 I 4.3849 9.0467 126.2294 59.4482 38.7679 175.4314 42 I 4.4577 8.3164 127.6854 60.9538 39.4551 174.8401 43 D 4.7250 8.5391 126.8033 53.2748 41.3608 177.1482 44 L 4.7510 8.6245 128.7107 56.8565 41.3689 178.9703 45 Q 4.0180 8.7473 120.2676 58.3274 28.8757 177.4960 46 K 4.1229 7.7465 120.7357 57.6466 32.5342 178.2193 47 T 3.7457 7.5500 115.9437 67.3234 68.3555 175.2547 48 M 3.8897 8.4814 119.5683 59.2286 32.2476 177.9819 49 E 3.8766 7.9427 117.5923 59.7788 29.7481 179.8643 50 E 4.0628 8.2466 118.3120 59.2219 29.5350 179.1083 51 L 4.1215 8.0689 119.2283 58.0935 41.5469 178.9619 52 E 3.9415 8.4966 119.3037 59.7194 29.2875 178.9305 53 R 4.1572 7.6921 116.9116 59.3308 30.1150 178.5918 54 T 3.8487 8.3187 116.2183 66.5059 68.4124 176.8966 55 F 4.0218 8.9539 119.7279 59.9397 38.8358 177.9131 56 R 3.9325 7.6428 117.1012 59.0511 29.7141 178.2174 57 F 4.0879 7.6213 119.4939 61.8013 39.3038 177.0583 58 I 3.2795 7.7593 119.1817 64.1051 36.8423 177.6403 59 E 4.0660 8.4078 120.0913 59.8219 29.2950 178.5665 60 D 4.5427 8.3508 115.6016 55.5833 40.9864 177.2447 61 L 4.1507 8.3239 121.3394 57.1326 42.1622 176.9312 62 A 3.9712 7.8139 121.3276 54.4229 19.0557 177.7493 63 M 4.5281 7.8718 116.8635 53.5856 29.8146 176.6094 64 R 4.2118 7.8282 115.5061 56.1267 35.8450 172.1873 65 G 3.7748 9.5305 110.0549 46.0667 0.0000 172.9423 66 G 3.9826 8.0238 111.1356 43.7901 0.0000 171.7160 67 T 4.0636 8.5003 115.2050 62.1406 70.1578 173.1590 68 I 5.3371 8.1956 123.5865 58.3608 40.1684 174.9533 69 L 4.4696 8.6431 130.4624 54.9291 43.2901 175.6818 70 F 4.8158 9.8166 127.5014 56.7864 40.3531 175.0304 71 V 4.8034 8.3884 125.0203 61.0484 34.0330 174.7548 72 G 4.2767 8.1850 110.4901 46.2337 0.0000 173.0704 73 T 4.9928 9.0372 113.6930 61.2757 71.2236 173.9880 74 K 3.7296 8.4978 121.4567 57.9864 32.3660 177.5576 75 K 4.4049 8.4266 125.0574 59.4368 33.3249 177.7498 76 Q 3.8369 7.9258 116.6371 58.5758 29.3101 178.2977 77 A 4.6928 8.7018 118.7989 51.3220 19.3122 177.4481 78 Q 4.0955 8.2497 119.1516 58.7361 28.1775 179.8971 79 D 4.3167 7.2970 119.8867 56.1596 41.0589 179.0114 80 I 3.6269 7.3278 121.2366 63.5424 37.0523 178.7835 81 V 3.5397 8.5335 119.7262 66.1273 31.4494 177.4822 82 R 2.9173 6.9952 117.2182 60.3049 29.7892 177.5553 83 M 3.8393 8.1850 116.2306 58.2193 31.8967 178.1563 84 E 4.0104 7.3551 121.7435 59.9371 30.3489 179.5547 85 A 3.4265 8.0727 120.8396 55.1059 18.5219 179.4991 86 E 4.0002 8.1778 116.9127 59.4074 29.4134 179.2182 87 R 4.0334 8.2118 116.1242 57.8146 30.1949 176.3057 88 A 4.5304 7.4630 117.2937 51.2966 20.7783 176.1197 89 G 3.9430 8.7749 104.6000 46.8308 0.0000 173.8861 90 M 4.6751 7.7393 117.1802 52.2833 34.6090 174.4091 91 P 4.5461 0.0000 0.0000 63.0440 33.0312 174.9741 92 Y 5.9904 7.8058 119.4479 54.8229 42.6114 174.1948 93 V 4.6673 8.5504 118.5794 62.7935 33.7446 174.6278 94 N 4.7470 9.4251 125.9950 56.1643 40.3994 177.7051 95 Q 4.6726 7.8510 115.8751 55.7165 28.1162 179.9523 96 R 4.3593 8.6951 132.9679 54.5631 30.4847 174.2804 97 W 4.1611 8.9152 134.1322 57.0807 30.4582 175.4314 98 L 3.8054 7.8567 126.3686 54.1884 41.6292 177.5078 99 G 3.5641 8.1872 112.7255 46.8591 0.0000 173.8641 100 G 4.0987 11.2700 111.3111 43.8905 0.0000 174.7091 101 M 3.9125 6.7156 118.4935 57.2561 32.4034 175.7565 102 L 4.8955 7.8615 115.8598 57.0488 44.6168 178.4883 103 T 4.0717 9.2283 108.8683 64.1670 68.8437 174.7452 104 N 5.2341 8.1149 120.1733 52.5084 39.5998 175.9745 105 F 4.3228 8.6997 119.4342 61.4179 38.9023 176.1485 106 K 3.6819 8.2139 119.5531 59.3155 31.1688 178.1845 107 T 3.8408 7.9143 115.4013 65.8414 68.8764 176.6636 108 I 3.7136 7.6257 120.4963 62.8416 37.1160 178.4984 109 S 4.1181 7.2209 116.8438 61.7219 62.8024 176.1626 110 Q 3.9752 7.3437 121.0785 59.3069 28.5238 179.5837 111 R 4.0038 7.6219 117.3775 58.4484 29.8952 179.1806 112 V 3.6847 8.6991 119.7254 66.1587 31.6346 177.5895 113 H 4.2068 8.4278 113.8026 58.3449 28.6807 176.6671 114 R 4.2410 7.7936 119.8417 58.2799 30.3096 177.6039 115 L 3.6542 7.6117 120.3356 58.0321 42.0993 177.8007 116 E 4.5805 8.3074 113.8912 56.5390 29.9988 176.9379 117 E 4.4019 9.0548 121.5685 58.7704 30.2200 177.9859 118 L 3.9715 7.8465 118.4203 58.0509 41.7374 179.0418 119 E 4.1524 8.0522 118.6797 58.9685 29.3026 177.8591 120 A 4.6418 7.9936 120.5147 51.8960 19.1773 177.9203 121 L 4.6756 8.4338 120.2662 56.7078 47.3818 177.6737 122 F 4.4061 7.9802 120.7538 60.4829 39.4122 174.9895 123 A 4.5386 7.5846 122.4307 49.1683 18.2473 174.1875 124 S 4.6093 7.5214 115.0289 55.9414 65.7336 173.6848 125 P 4.3224 0.0000 0.0000 65.7002 30.0868 178.2797 126 E 4.9474 8.4402 117.6385 58.9937 29.5420 179.2016 127 I 3.4257 7.1886 117.5997 64.3674 36.9118 176.2613 128 E 3.4354 7.2411 117.0070 60.2258 29.7460 180.0865 129 E 3.9493 6.8794 114.8621 57.0169 30.4392 172.8010 130 R 3.9669 8.3547 124.8108 55.3870 27.3946 174.7253 131 P 4.2465 0.0000 0.0000 62.4186 33.1427 176.3435 132 K 3.7722 8.7646 119.9902 59.9878 31.9545 178.6614 133 K 3.8847 8.1419 117.8355 59.8008 31.9698 178.3741 134 E 3.9190 8.2201 117.6973 59.8047 29.5838 179.2764 135 Q 3.9916 8.1046 117.6344 59.3083 28.7397 179.5908 136 V 3.6392 8.5208 119.4202 66.2397 31.6449 177.3008 137 R 3.8054 8.5858 118.6485 59.5542 29.7971 178.0387 138 L 3.9893 8.6648 118.4437 58.2598 41.5680 179.3658 139 K 3.8120 7.9628 117.2236 60.3361 32.0510 178.4494 140 H 4.0753 8.3487 115.5500 59.1564 28.7039 177.3585 141 E 3.9092 7.9947 120.1652 59.3564 29.4823 178.6880 142 L 3.9082 8.5575 120.5922 58.4212 42.0193 177.9563 143 E 3.8003 9.2226 118.7313 60.2049 29.2955 179.7171 144 R 3.6222 8.3799 115.0172 59.5819 29.5405 178.6495 145 L 3.9208 7.8195 119.2545 57.5042 41.9002 179.3634 146 Q 4.0345 8.7486 119.4192 59.1777 28.8965 177.9148 147 K 3.8096 7.8339 119.4514 59.2936 32.2136 177.2391 148 Y 4.9669 7.9352 113.8680 57.9271 38.4182 175.8973 149 L 4.8182 7.3781 117.5608 54.0752 43.0885 177.6265 150 S 4.0809 8.2018 114.1313 62.3327 64.1446 176.8702 151 G 2.3068 7.9980 108.2483 45.9924 0.0000 171.9945 152 F 4.1002 5.4600 132.9726 58.5285 39.9324 173.1339 153 R 4.4489 7.9798 134.9238 57.2816 32.8981 176.0360 154 L 4.0310 7.7799 113.5563 55.1952 41.2428 176.4828 155 L 4.3943 7.6176 122.0284 53.0086 42.4253 175.4778 156 K 4.5199 8.2206 127.0302 55.4603 34.5170 172.2300 157 R 4.0341 8.9110 131.8563 56.2866 30.4736 174.9707 158 L 3.3509 7.6408 123.6327 53.1570 42.4048 175.3647 159 P 4.3819 0.0000 0.0000 63.4529 31.7403 175.7777 160 D 4.9206 8.1365 117.0004 53.7483 41.8565 176.8774 161 A 4.9126 6.9410 122.5372 51.6533 21.9296 175.3483 162 I 4.9134 7.9627 113.6684 58.9532 41.3594 174.1681 163 F 5.5158 8.9221 126.3433 56.7136 41.6480 174.1892 164 V 4.9631 9.1945 125.8927 61.5397 34.7608 177.1393 165 V 3.6996 8.3994 120.6307 62.5577 31.6912 178.6678 166 D 4.5120 9.3868 135.0000 53.3462 40.9944 173.3837 167 P 4.2844 0.0000 0.0000 66.5274 30.8853 177.6203 168 T 3.7866 8.0183 109.5727 64.3885 68.1420 175.4325 169 K 3.9243 7.3030 121.1452 57.9820 32.2212 176.7956 170 E 4.5071 7.9860 116.1265 55.7121 30.3775 177.3660 171 A 3.6312 8.5074 124.7789 55.6987 18.2029 180.4497 172 I 3.6474 7.8348 117.3181 64.4912 37.1559 178.3834 173 A 2.5800 8.2837 122.4220 54.5908 18.1701 179.7511 174 V 3.3941 7.4346 116.2182 66.0103 31.1540 178.1667 175 R 3.7848 8.1914 117.9777 59.8500 30.2695 177.5819 176 E 3.9955 8.3600 117.8573 59.4334 29.5032 179.1767 177 A 3.9871 8.3942 120.1496 55.5582 18.6344 179.6136 178 R 3.7242 7.8361 116.7914 59.4775 29.9457 178.4845 179 K 3.8323 7.9979 117.7785 58.1199 32.3019 177.0565 180 L 4.5588 7.4530 118.0550 54.1342 41.9945 176.7841 181 F 3.8515 7.3300 114.8138 58.3291 37.0974 175.3643 182 I 4.1331 7.1788 119.8603 60.3471 37.7840 174.2605 183 P 4.7134 0.0000 0.0000 62.5845 32.6981 175.3003 184 V 4.9541 9.3091 124.1827 61.0060 34.4005 174.1554 185 I 5.0245 8.8771 120.7427 58.5833 40.6395 174.3143 186 A 5.1822 8.3228 123.7662 51.2399 22.8044 175.3344 187 L 4.5070 8.7301 122.8247 54.2745 41.2857 176.0493 188 A 4.9340 8.4458 127.4638 50.7496 22.2283 174.7097 189 D 5.3025 8.4056 117.3928 52.3265 42.9213 176.3036 190 T 2.8680 8.1526 107.7931 63.3935 68.4178 174.9322 191 D 4.2991 8.0000 122.6060 56.3835 41.6893 176.6981 192 S 4.6067 7.6049 113.5626 56.8859 64.8048 172.9305 193 D 4.6480 8.3591 121.1800 51.5697 39.8590 174.0160 194 P 3.8871 0.0000 0.0000 65.7190 30.9685 181.4321 195 D 3.7439 6.4753 117.2747 54.4859 42.6848 176.6280 196 L 4.3863 7.2806 120.7372 56.1255 40.2229 177.2594 197 V 4.2251 7.6528 119.7941 62.0068 33.0104 175.1375 198 D 4.2362 8.2286 128.6916 57.2989 41.4755 176.7881 199 Y 4.4846 7.5566 114.2542 57.1159 41.3047 174.6747 200 I 4.4326 8.3296 125.1630 60.1739 39.2344 176.3400 201 I 4.7791 8.0040 123.2537 58.4678 37.2029 172.4124 202 P 4.7937 0.0000 0.0000 62.5933 31.7865 177.5615 203 G 4.5312 9.9696 118.3510 46.1290 0.0000 171.3180 204 N 3.8063 7.7350 118.3870 52.5829 38.6807 173.9983 205 D 4.8291 8.4529 124.6389 53.2540 39.9747 176.4767 206 D 4.5748 7.6190 118.4788 54.6431 43.5982 175.5179 207 A 3.9958 7.5684 120.4139 52.3481 18.5562 177.5342 208 I 3.5189 8.4108 125.3482 65.9395 37.1579 177.9210 209 R 3.7728 8.0132 117.8759 59.6857 29.8771 178.7017 210 S 4.1285 7.8429 111.6913 61.5206 62.5790 176.2534 211 I 3.6993 8.4469 122.9286 65.1842 36.7904 177.2013 212 Q 3.8426 8.6492 119.5120 59.0242 28.5647 178.2548 213 L 3.9343 8.2924 120.2016 58.5332 42.5087 179.9221 214 I 3.8547 7.9669 119.2197 64.5490 37.0809 178.5007 215 L 4.2801 8.4722 120.2112 58.2119 41.5577 178.6579 216 S 4.5362 9.1881 111.2623 61.7816 61.9601 175.8655 217 R 4.0505 7.7074 121.4811 59.4748 30.2813 178.5617 218 A 4.4947 8.0720 119.7244 55.3909 18.7433 179.3273 219 V 3.7994 8.8204 117.4495 66.8973 31.2277 177.1467 220 D 4.3364 8.2971 117.5813 57.7397 40.4765 178.7519 221 L 3.7600 8.3384 122.6507 58.5122 42.5058 179.3295 222 I 4.0068 8.1204 120.0070 63.9149 37.0201 178.3348 223 I 3.7598 8.9267 121.6616 64.3699 36.9139 177.9695 224 Q 4.2402 7.9630 116.3764 57.4272 29.1733 176.8264 225 A 4.6790 7.4218 120.9886 51.9639 19.5960 177.0444 226 R 4.3068 9.7358 120.3086 60.1840 32.2452 173.8976 227 G 2.9531 9.0700 108.4069 45.4020 0.0000 173.0332 228 G 4.1492 8.6016 122.9022 45.3725 0.0000 172.1076 229 V 3.7957 7.6881 117.4430 63.4079 32.8941 175.5618 230 V 4.1954 7.7932 117.0277 60.6373 33.7464 173.8430 231 E 4.5580 8.4732 122.0786 54.8144 31.9862 173.9795 232 P 4.7572 0.0000 0.0000 62.6784 33.2623 175.4583 233 S 4.7118 7.8785 117.7665 58.2630 63.9905 175.4241 234 P 4.6169 0.0000 0.0000 62.0659 31.9308 173.7979 235 S 4.4904 8.2354 111.6975 59.6915 64.8189 175.1411 236 Y 4.1989 8.9830 120.4474 57.7233 37.0632 177.1610 237 A 4.0917 7.3907 124.7127 55.3599 19.1291 178.6895 238 L 4.4924 8.1174 111.4573 56.9036 41.5666 175.3137 239 V 3.2131 7.2766 121.5117 63.8679 29.5482 174.2122 240 Q 3.9715 8.4203 131.7651 56.3362 28.6106 173.6930 *241 E 4.1630 7.9125 116.0487 56.0702 30.4602 177.5072 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 7 V 8.05 4.17 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 0.96 0.00 0.00 0.91 0.00 0.00 8 K 7.75 4.09 0.00 1.82 1.25 0.00 1.67 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 9 E 10.12 4.02 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 10 L 7.84 3.96 0.00 1.69 1.74 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.99 4.17 0.00 1.62 1.62 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 E 7.97 3.69 0.00 1.87 1.28 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 2.34 2.24 0.00 13 A 9.35 3.07 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 14 G 9.67 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 6.87 4.28 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 0.61 0.00 0.00 0.71 0.00 0.00 16 H 7.55 4.99 0.00 2.99 3.23 0.00 5.83 0.00 0.00 0.00 0.00 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 F 7.44 4.99 0.00 3.12 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 0.00 0.00 0.00 18 G 7.38 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 H 8.53 4.60 0.00 3.03 3.16 0.00 6.01 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.23 3.24 0.00 2.04 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 2.28 2.19 0.00 21 R 8.10 4.55 0.00 2.10 1.99 0.00 3.03 0.00 0.00 3.31 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 22 K 9.22 3.87 0.00 1.95 2.00 0.00 1.61 0.00 0.00 1.58 0.00 0.00 2.61 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.28 1.32 7.81 23 R 7.63 4.71 0.00 1.67 1.84 0.00 3.35 0.00 0.00 3.29 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 24 W 8.09 5.07 0.00 3.50 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 25 N 8.32 4.12 0.00 2.64 2.58 0.00 0.00 6.64 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 26 P 0.00 2.97 0.00 1.92 1.70 0.00 3.10 0.00 0.00 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.68 0.00 27 K 8.79 3.93 0.00 1.69 1.78 0.00 1.61 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.30 7.81 28 F 9.25 3.77 0.00 3.10 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 29 A 7.71 4.00 1.45 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 30 R 7.83 3.99 0.00 1.92 2.02 0.00 2.86 0.00 0.00 2.95 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.50 0.00 31 Y 8.41 5.01 0.00 2.76 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.26 4.79 2.21 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.11 1.10 0.00 0.00 33 Y 8.98 4.40 0.00 2.95 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 34 A 7.38 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.04 5.02 0.00 1.59 1.64 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 2.00 1.95 0.00 36 R 7.54 4.30 0.00 1.89 1.77 0.00 3.29 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 37 N 9.54 4.17 0.00 2.80 2.81 0.00 0.00 7.06 7.98 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 38 G 8.24 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.32 4.32 1.80 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 1.26 1.00 0.93 0.00 0.00 40 H 8.59 4.44 0.00 3.23 3.21 0.00 5.79 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.05 4.38 1.99 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 0.88 0.20 0.82 0.00 0.00 42 I 8.32 4.46 1.99 0.00 0.00 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 1.41 1.37 1.05 0.00 0.00 43 D 8.54 4.73 0.00 3.04 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 44 L 8.62 4.75 0.00 1.82 1.76 1.19 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 8.75 4.02 0.00 2.04 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 46 K 7.75 4.12 0.00 2.36 1.69 0.00 2.06 0.00 0.00 1.88 0.00 0.00 3.01 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.29 1.58 7.81 47 T 7.55 3.75 4.39 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 1.32 0.00 0.00 48 M 8.48 3.89 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.62 0.00 49 E 7.94 3.88 0.00 2.21 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 2.34 2.61 0.00 50 E 8.25 4.06 0.00 2.08 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 51 L 8.07 4.12 0.00 1.97 2.11 1.01 1.32 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 52 E 8.50 3.94 0.00 2.05 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 0.00 2.36 2.37 0.00 53 R 7.69 4.16 0.00 2.04 2.12 0.00 3.18 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 54 T 8.32 3.85 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 55 F 8.95 4.02 0.00 3.16 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.64 3.93 0.00 2.14 2.03 0.00 3.36 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.83 0.00 57 F 7.62 4.09 0.00 2.35 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 58 I 7.76 3.28 1.75 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 1.00 0.58 0.75 0.00 0.00 59 E 8.41 4.07 0.00 2.20 2.11 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 2.31 2.39 0.00 60 D 8.35 4.54 0.00 2.69 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 61 L 8.32 4.15 0.00 0.81 1.38 0.76 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.81 3.97 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 63 M 7.87 4.53 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.67 0.00 64 R 7.83 4.21 0.00 1.77 1.95 0.00 3.38 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.55 0.00 65 G 9.53 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.02 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 67 T 8.50 4.06 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 1.21 0.00 0.00 68 I 8.20 5.34 2.14 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.54 0.79 0.00 0.00 69 L 8.64 4.47 0.00 1.87 1.66 1.22 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.82 4.82 0.00 3.31 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.39 4.80 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 0.82 0.00 0.00 1.02 0.00 0.00 72 G 8.18 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 73 T 9.04 4.99 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 1.41 0.00 0.00 74 K 8.50 3.73 0.00 1.96 2.07 0.00 1.53 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.50 1.47 7.81 75 K 8.43 4.40 0.00 1.81 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.48 7.81 76 Q 7.93 3.84 0.00 2.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.16 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 77 A 8.70 4.69 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 78 Q 8.25 4.10 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.36 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 79 D 7.30 4.32 0.00 2.86 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 80 I 7.33 3.63 1.84 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 1.38 0.79 0.90 0.00 0.00 81 V 8.53 3.54 2.11 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 1.16 0.00 0.00 1.05 0.00 0.00 82 R 7.00 2.92 0.00 1.71 1.95 0.00 3.08 0.00 0.00 3.10 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 83 M 8.19 3.84 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.84 0.00 84 E 7.36 4.01 0.00 2.01 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 2.45 2.54 0.00 85 A 8.07 3.43 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 86 E 8.18 4.00 0.00 2.05 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 0.00 2.63 2.64 0.00 87 R 8.21 4.03 0.00 1.90 2.04 0.00 3.36 0.00 0.00 3.23 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 88 A 7.46 4.53 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 89 G 8.77 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 90 M 7.74 4.68 0.00 2.39 1.79 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 91 P 0.00 4.55 0.00 2.14 1.92 0.00 3.82 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.05 0.00 92 Y 7.81 5.99 0.00 3.08 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 93 V 8.55 4.67 2.38 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 1.24 0.00 0.00 1.32 0.00 0.00 94 N 9.43 4.75 0.00 3.04 2.91 0.00 0.00 7.07 7.30 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 95 Q 7.85 4.67 0.00 2.37 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.88 0.00 0.00 0.00 0.00 0.00 2.55 2.66 0.00 96 R 8.70 4.36 0.00 1.52 1.78 0.00 3.37 0.00 0.00 3.28 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 97 W 8.92 4.16 0.00 3.22 3.25 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 98 L 7.86 3.81 0.00 1.24 1.25 0.65 0.61 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 99 G 8.19 3.56 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 0.00 0.00 0.00 100 G 11.27 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 6.72 3.91 0.00 1.35 1.17 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 102 L 7.86 4.90 0.00 2.23 1.77 1.51 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.23 4.07 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 104 N 8.11 5.23 0.00 2.80 2.78 0.00 0.00 6.75 7.02 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 0.00 105 F 8.70 4.32 0.00 3.21 3.19 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 0.00 106 K 8.21 3.68 0.00 1.93 1.84 0.00 1.84 0.00 0.00 1.79 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.41 7.81 107 T 7.91 3.84 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 1.15 0.00 0.00 108 I 7.63 3.71 1.68 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.48 0.00 0.00 109 S 7.22 4.12 0.00 3.53 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 0.00 110 Q 7.34 3.98 0.00 2.21 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.25 2.52 0.00 111 R 7.62 4.00 0.00 2.07 1.95 0.00 3.23 0.00 0.00 3.04 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 112 V 8.70 3.68 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.11 0.00 0.00 113 H 8.43 4.21 0.00 3.23 3.40 0.00 5.94 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 0.00 114 R 7.79 4.24 0.00 1.95 2.02 0.00 3.17 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 115 L 7.61 3.65 0.00 1.88 1.85 0.90 0.82 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 0.00 116 E 8.31 4.58 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 2.47 2.25 0.00 117 E 9.05 4.40 0.00 2.12 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 2.26 2.61 0.00 118 L 7.85 3.97 0.00 1.83 1.74 0.95 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.05 4.15 0.00 2.18 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 0.00 2.33 2.32 0.00 120 A 7.99 4.64 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 0.00 121 L 8.43 4.68 0.00 1.82 1.70 0.94 0.89 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 0.00 122 F 7.98 4.41 0.00 2.93 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 0.00 123 A 7.58 4.54 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.52 4.61 0.00 3.90 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 0.00 125 P 0.00 4.32 0.00 2.25 2.29 0.00 3.78 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 2.07 1.99 0.00 126 E 8.44 4.95 0.00 2.06 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 2.41 2.33 0.00 127 I 7.19 3.43 1.84 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 1.38 0.65 0.88 0.00 0.00 128 E 7.24 3.44 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 129 E 6.88 3.95 0.00 2.20 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 0.00 2.29 2.34 0.00 130 R 8.35 3.97 0.00 2.01 2.10 0.00 3.42 0.00 0.00 3.29 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.78 0.00 131 P 0.00 4.25 0.00 2.25 2.23 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 132 K 8.76 3.77 0.00 1.84 1.87 0.00 1.75 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.52 1.56 7.81 133 K 8.14 3.88 0.00 1.80 1.86 0.00 1.75 0.00 0.00 1.81 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.50 7.81 134 E 8.22 3.92 0.00 2.22 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 2.37 0.00 135 Q 8.10 3.99 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 136 V 8.52 3.64 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 0.95 0.00 0.00 1.01 0.00 0.00 137 R 8.59 3.81 0.00 2.01 2.06 0.00 3.33 0.00 0.00 3.17 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.82 0.00 138 L 8.66 3.99 0.00 1.71 1.75 0.94 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.96 3.81 0.00 2.09 1.91 0.00 1.77 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.65 1.72 7.81 140 H 8.35 4.08 0.00 3.31 3.39 0.00 5.82 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 7.99 3.91 0.00 2.07 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 142 L 8.56 3.91 0.00 1.69 1.76 0.87 0.86 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 0.00 143 E 9.22 3.80 0.00 2.04 1.86 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 2.43 2.37 0.00 144 R 8.38 3.62 0.00 1.90 2.07 0.00 2.82 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.68 0.00 145 L 7.82 3.92 0.00 1.89 1.81 0.97 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.75 4.03 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 147 K 7.83 3.81 0.00 1.58 1.65 0.00 1.54 0.00 0.00 0.94 0.00 0.00 2.63 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.80 1.28 7.81 148 Y 7.94 4.97 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.38 4.82 0.00 1.83 1.70 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.20 4.08 0.00 4.12 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 0.00 151 G 8.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 5.46 4.10 0.00 3.11 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 R 7.98 4.45 0.00 2.06 2.10 0.00 3.36 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 154 L 7.78 4.03 0.00 1.58 1.66 0.90 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.62 4.39 0.00 1.42 1.12 0.54 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 156 K 8.22 4.52 0.00 1.72 1.66 0.00 1.89 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.51 7.81 157 R 8.91 4.03 0.00 2.02 2.01 0.00 3.32 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.63 0.00 158 L 7.64 3.35 0.00 1.55 1.49 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.38 0.00 2.05 2.12 0.00 3.58 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 160 D 8.14 4.92 0.00 2.53 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 A 6.94 4.91 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 0.00 162 I 7.96 4.91 1.91 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.86 0.94 0.00 0.00 163 F 8.92 5.52 0.00 2.47 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 9.19 4.96 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 1.20 0.00 0.00 0.83 0.00 0.00 165 V 8.40 3.70 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 0.63 0.00 0.00 0.90 0.00 0.00 166 D 9.39 4.51 0.00 2.84 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 0.00 167 P 0.00 4.28 0.00 2.30 2.34 0.00 3.77 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 168 T 8.02 3.79 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 0.00 169 K 7.30 3.92 0.00 1.85 2.01 0.00 1.76 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.67 7.81 170 E 7.99 4.51 0.00 1.95 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 171 A 8.51 3.63 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 0.00 172 I 7.83 3.65 2.11 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 1.67 0.61 1.08 0.00 0.00 173 A 8.28 2.58 -0.17 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 0.00 174 V 7.43 3.39 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 0.96 0.00 0.00 0.88 0.00 0.00 175 R 8.19 3.78 0.00 1.81 2.17 0.00 3.38 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 176 E 8.36 4.00 0.00 2.56 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.86 0.00 177 A 8.39 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 0.00 178 R 7.84 3.72 0.00 2.02 2.05 0.00 3.01 0.00 0.00 2.99 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.56 0.00 179 K 8.00 3.83 0.00 1.71 1.94 0.00 1.82 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 180 L 7.45 4.56 0.00 1.89 1.68 1.00 0.85 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 0.00 181 F 7.33 3.85 0.00 3.26 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 182 I 7.18 4.13 2.03 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 1.36 0.65 0.97 0.00 0.00 183 P 0.00 4.71 0.00 2.36 2.05 0.00 3.79 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.20 0.00 184 V 9.31 4.95 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 0.98 0.00 0.00 0.97 0.00 0.00 185 I 8.88 5.02 1.60 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.44 0.95 0.00 0.00 186 A 8.32 5.18 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 0.00 187 L 8.73 4.51 0.00 1.73 1.64 1.04 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.45 4.93 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 189 D 8.41 5.30 0.00 2.61 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 0.00 190 T 8.15 2.87 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 1.05 0.00 0.00 191 D 8.00 4.30 0.00 2.72 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 S 7.60 4.61 0.00 4.08 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 0.00 193 D 8.36 4.65 0.00 2.74 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 0.00 194 P 0.00 3.89 0.00 2.02 1.93 0.00 3.59 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 1.85 1.62 0.00 195 D 6.48 3.74 0.00 2.81 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 0.00 196 L 7.28 4.39 0.00 1.66 1.69 0.88 0.45 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 0.00 197 V 7.65 4.23 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.01 0.00 0.00 198 D 8.23 4.24 0.00 2.56 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 0.00 0.00 0.00 199 Y 7.56 4.48 0.00 2.72 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 0.00 200 I 8.33 4.43 1.89 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.55 1.02 0.00 0.00 201 I 8.00 4.78 2.01 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.33 1.05 0.00 0.00 202 P 0.00 4.79 0.00 2.24 2.23 0.00 3.92 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 1.88 1.40 0.00 203 G 9.97 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 0.00 0.00 0.00 0.00 204 N 7.73 3.81 0.00 3.15 2.73 0.00 0.00 7.10 8.35 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 0.00 205 D 8.45 4.83 0.00 2.82 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 0.00 206 D 7.62 4.57 0.00 2.66 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 0.00 207 A 7.57 4.00 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 0.00 208 I 8.41 3.52 1.81 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 1.62 0.55 0.88 0.00 0.00 209 R 8.01 3.77 0.00 1.75 1.90 0.00 3.07 0.00 0.00 3.14 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 210 S 7.84 4.13 0.00 3.92 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 0.00 211 I 8.45 3.70 1.86 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 1.39 0.62 0.88 0.00 0.00 212 Q 8.65 3.84 0.00 2.31 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.48 0.00 213 L 8.29 3.93 0.00 1.75 1.85 0.82 1.22 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 0.00 214 I 7.97 3.85 2.09 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 1.76 1.11 1.18 0.00 0.00 215 L 8.47 4.28 0.00 1.77 1.83 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 216 S 9.19 4.54 0.00 4.07 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 R 7.71 4.05 0.00 1.92 1.92 0.00 3.29 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.79 0.00 218 A 8.07 4.49 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 0.00 0.00 0.00 0.00 0.00 219 V 8.82 3.80 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 1.15 0.00 0.00 1.09 0.00 0.00 220 D 8.30 4.34 0.00 3.01 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 0.00 221 L 8.34 3.76 0.00 2.03 2.04 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 222 I 8.12 4.01 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.06 0.94 0.00 0.00 223 I 8.93 3.76 1.89 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 1.42 1.32 0.92 0.00 0.00 224 Q 7.96 4.24 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.49 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 225 A 7.42 4.68 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 0.00 226 R 9.74 4.31 0.00 1.78 2.02 0.00 3.26 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 227 G 9.07 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 0.00 0.00 0.00 228 G 8.60 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 0.00 229 V 7.69 3.80 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 0.83 0.00 0.00 0.93 0.00 0.00 230 V 7.79 4.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.93 0.00 0.00 231 E 8.47 4.56 0.00 2.06 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 2.20 2.31 0.00 232 P 0.00 4.76 0.00 2.09 2.11 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 233 S 7.88 4.71 0.00 3.91 2.84 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 0.00 234 P 0.00 4.62 0.00 2.21 2.09 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 235 S 8.24 4.49 0.00 4.00 3.81 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 0.00 236 Y 8.98 4.20 0.00 2.94 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 0.00 237 A 7.39 4.09 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 0.00 238 L 8.12 4.49 0.00 1.72 1.70 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 239 V 7.28 3.21 2.27 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 0.78 0.00 0.00 0.65 0.00 0.00 240 Q 8.42 3.97 0.00 2.27 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.42 0.00 0.00 0.00 0.00 0.00 2.22 2.35 0.00 *241 E 7.91 4.16 0.00 1.77 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.