NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.9859 8.0549 120.3872 62.4750 32.9404 175.6029 8 K 3.8396 7.9031 119.5431 55.7852 32.5229 178.1962 9 E 3.7489 7.0933 113.8802 59.2530 32.5723 178.9115 10 L 3.8899 7.7573 121.8612 58.1211 42.4784 178.8536 11 L 4.0705 7.8635 117.9036 58.3901 41.6168 179.0725 12 E 3.8689 8.3351 117.8871 59.5622 28.5788 178.9112 13 A 4.1469 7.6970 118.4367 52.2757 19.0891 179.6074 14 G 3.7216 8.0966 110.6789 47.0783 0.0000 174.0570 15 V 4.6767 5.5340 122.9744 61.6463 34.9697 171.2234 16 H 5.0538 7.1891 114.3761 53.6177 30.1192 174.9085 17 F 4.7973 8.6108 112.6710 56.8046 40.7938 174.6704 18 G 4.4335 9.3876 113.7538 44.0035 0.0000 171.7527 19 H 4.9999 8.2999 126.4947 55.5267 31.8414 171.3694 20 E 3.7269 7.8438 116.6678 55.6160 30.2956 176.5776 21 R 4.0747 7.9384 117.9322 55.1173 31.6920 175.4917 22 K 3.9318 8.1441 122.2691 56.9635 29.5415 176.7460 23 R 4.7077 7.9727 111.3461 56.9815 33.1416 176.8636 24 W 4.5482 8.5469 119.4051 56.4256 29.1975 176.1904 25 N 4.2083 8.8022 118.2891 52.0731 39.2849 173.9412 26 P 2.9807 0.0000 0.0000 64.4483 31.1511 177.4023 27 K 4.0107 7.9047 117.6215 58.1611 31.9349 177.2265 28 F 4.3279 8.7443 121.1670 57.7083 39.1111 177.0977 29 A 4.4232 7.9837 123.2083 54.1679 18.4378 179.7250 30 R 4.1163 7.5959 111.8840 58.7822 30.0596 176.6235 31 Y 4.7371 6.9199 114.4896 57.8238 38.0077 174.5372 32 I 4.7434 7.6487 118.7888 59.4784 40.6069 174.0616 33 Y 4.5237 8.7591 125.3357 58.7832 41.1545 175.0567 34 A 4.3241 7.1165 119.2576 52.2321 21.9600 174.9746 35 E 4.7357 8.0088 112.1267 54.8520 31.4588 175.9189 36 R 3.6733 7.5455 115.3226 56.7812 30.6838 175.5619 37 N 3.9837 9.5327 119.9116 54.3721 35.3389 173.6856 38 G 3.8164 6.8554 107.4176 45.1347 0.0000 174.1140 39 I 3.5032 7.1826 117.8970 60.5874 38.6875 174.8070 40 H 4.8814 8.2696 120.0781 54.7468 29.9459 175.0567 41 I 3.6542 8.2873 125.7554 60.9902 37.5638 175.3820 42 I 4.4337 8.1553 128.5132 60.3122 38.8280 174.5309 43 D 4.3002 8.6080 129.5812 54.8695 41.1523 175.9427 44 L 4.1153 8.8384 126.9519 58.1357 41.5115 178.9248 45 Q 3.7662 7.6551 117.4435 59.7674 28.2175 178.2669 46 K 3.5996 9.5704 120.7187 60.2200 32.2783 179.0078 47 T 3.8104 7.7947 115.5686 66.6123 68.2737 175.8170 48 M 4.0303 8.6297 119.4319 58.8992 30.7168 178.3907 49 E 4.5777 7.8270 120.1424 56.6886 29.5569 179.0671 50 E 3.9809 8.1103 119.9118 59.4143 29.8592 178.9718 51 L 4.1583 7.8482 119.6382 57.5100 41.6169 177.9839 52 E 3.9868 8.5456 119.2792 59.9249 29.1674 178.6875 53 R 4.0189 8.0446 120.5328 60.1887 30.7464 178.4591 54 T 3.8947 7.8711 115.6275 66.3863 68.3212 176.2259 55 F 4.2204 8.8918 120.5620 60.2366 39.1460 178.1591 56 R 3.9708 7.8252 118.4458 59.4205 29.7318 178.6994 57 F 4.0947 8.2108 119.0762 61.2226 39.5137 176.7848 58 I 3.7041 7.5516 119.7920 63.5559 36.9577 177.3355 59 E 4.0484 9.1219 120.1405 59.4293 30.1216 179.2229 60 D 4.5208 7.7189 116.7951 53.0680 40.3196 175.0922 61 L 4.4055 7.2074 121.4748 56.3450 49.6762 176.6061 62 A 3.8533 8.2098 122.1557 55.2156 18.3557 178.9787 63 M 5.0433 8.1437 110.9188 56.1964 31.5702 177.0317 64 R 4.3962 7.9950 114.5618 55.8445 30.0315 176.4872 65 G 3.8148 8.0645 106.0366 44.7981 0.0000 173.3277 66 G 3.8723 8.2995 107.9651 46.5914 0.0000 173.6463 67 T 4.2995 8.5863 117.4197 61.4236 70.1586 173.5071 68 I 4.7180 8.3705 123.3804 59.5116 41.5785 174.8968 69 L 5.7110 8.3277 124.6431 52.5095 44.5168 175.3882 70 F 5.1057 9.3634 125.8151 57.2247 40.9229 175.0133 71 V 4.6807 8.9312 122.6977 61.3762 34.1668 174.9426 72 G 4.6099 9.2418 114.6504 46.3596 0.0000 173.3406 73 T 4.5636 8.5237 117.7349 62.6798 69.6007 176.2408 74 K 4.2537 7.7810 122.0353 56.1586 33.6845 177.8349 75 K 3.9650 8.8111 121.7473 59.9798 32.4309 178.2816 76 Q 4.0212 8.2994 117.0630 58.6412 29.2507 177.1911 77 A 4.9857 7.5032 117.2154 50.7918 19.4418 174.1161 78 Q 4.2091 7.6325 123.8070 56.2892 30.4231 176.4642 79 D 4.4922 8.7809 118.6262 56.8607 40.0573 178.5556 80 I 3.5809 7.7920 119.0732 63.7085 37.7481 177.6473 81 V 3.8138 8.2537 119.4369 65.1735 31.3206 178.0077 82 R 3.0111 7.8800 119.0161 60.0758 29.9664 177.4563 83 M 3.9461 8.2598 116.4891 58.6595 31.6891 177.7114 84 E 3.9609 7.8454 120.1316 59.7928 30.1804 179.6861 85 A 3.5762 7.4145 120.7123 54.8748 18.6435 179.4937 86 E 4.0193 8.3795 117.5743 59.0652 29.9618 178.4934 87 R 4.3360 8.2861 119.6765 54.9762 29.2948 176.3182 88 A 5.0609 8.4414 128.8012 52.4093 20.6682 177.1932 89 G 4.0118 8.1312 105.1551 46.5431 0.0000 173.6878 90 M 4.6703 7.4352 118.6040 52.3658 34.3265 175.3308 91 P 4.6186 0.0000 0.0000 63.9514 32.8863 174.6111 92 Y 5.4440 8.5207 120.0124 56.7778 41.7844 173.8032 93 V 4.6345 9.6270 119.0370 61.8141 34.1532 175.0209 94 N 5.1360 9.4506 124.7461 52.9015 41.2234 174.1138 95 Q 4.9446 7.8145 117.2770 54.6317 30.6085 174.6745 96 R 3.9929 8.8808 120.9342 57.3986 30.4859 177.8024 97 W 4.3249 8.8157 135.0000 56.3026 28.7467 174.6725 98 L 3.5110 7.1739 121.3076 53.3416 42.4845 177.1217 99 G 3.4224 8.1453 111.4973 46.9505 0.0000 173.7945 100 G 4.0076 10.0265 114.6677 45.2768 0.0000 174.7256 101 M 3.8503 6.5754 118.2193 57.4136 32.4158 176.6902 102 L 4.7237 8.7805 116.8979 56.7377 44.4599 178.9082 103 T 3.9447 8.6510 113.1659 66.1368 68.6707 175.1227 104 N 5.0184 8.1708 119.9324 52.5972 39.7435 176.2231 105 F 4.4203 8.3818 120.2555 61.3789 39.2275 175.6635 106 K 3.5096 8.1086 116.8875 60.0200 31.9102 177.6566 107 T 4.3271 7.7276 114.3341 65.5545 69.0151 176.7985 108 I 3.8324 7.6647 121.2790 63.5622 37.0555 178.3658 109 S 4.2749 8.1496 117.0524 61.1984 62.5224 175.9122 110 Q 4.1822 7.4581 118.4389 57.6683 28.7891 177.7706 111 R 4.3586 7.5642 118.1013 57.6992 31.0543 178.6230 112 V 3.7836 7.8726 118.3580 65.9889 31.4452 177.5959 113 H 4.5355 8.1271 119.0063 58.1714 29.5367 176.1877 114 R 4.3931 7.4442 119.1817 56.4023 30.1744 177.4795 115 L 4.1733 7.6920 119.9930 58.1369 41.8443 177.7931 116 E 4.2069 8.0014 116.4211 58.3844 29.7942 178.4964 117 E 3.9940 7.9154 120.0184 59.0240 29.3677 178.3941 118 L 4.4144 7.3580 115.2981 55.9301 42.0953 178.2702 119 E 4.1088 7.8652 118.8060 58.9750 29.9332 178.1974 120 A 4.1564 7.9541 120.6523 54.9595 18.4459 179.1647 121 L 4.0376 7.5750 117.6426 57.5634 42.1847 178.5470 122 F 4.3412 7.9633 119.3749 60.5346 39.7931 176.3079 123 A 4.1206 7.6196 121.2550 51.9140 19.7421 176.1536 124 S 4.7715 7.4292 114.0876 56.6079 65.5468 172.4218 125 P 4.3155 0.0000 0.0000 63.8799 30.5718 177.2277 126 E 4.5212 7.8725 116.6002 56.8978 29.4125 177.1985 127 I 4.1409 7.4114 118.8396 61.5401 37.7223 176.3726 128 E 4.1766 7.8927 122.4144 58.3089 31.4670 177.4359 129 E 4.2786 8.0389 112.9834 55.5471 28.8713 178.2700 130 R 3.7042 9.3115 121.2485 56.6932 26.9881 172.6975 131 P 4.1900 0.0000 0.0000 62.7059 31.2585 177.9224 132 K 3.4191 8.8958 122.1734 59.1146 32.1426 177.9641 133 K 4.2740 8.0109 116.0600 58.3146 32.3188 177.0170 134 E 4.6210 8.8814 118.2511 56.6069 31.7128 177.6624 135 Q 4.2576 7.6253 115.0447 57.3811 28.8805 176.9573 136 V 4.3132 7.4778 115.8944 62.6276 33.8536 177.1321 137 R 3.9898 7.8249 119.4252 59.4568 29.9893 178.2787 138 L 4.2881 8.2005 120.1133 56.9096 41.3773 179.4552 139 K 3.9245 7.9081 118.6118 59.9558 32.0946 177.7053 140 H 4.1868 8.9329 118.9140 59.2767 29.1075 176.7726 141 E 3.9684 8.2921 121.1419 59.1568 29.2763 178.1278 142 L 4.2437 8.2322 118.4194 57.0179 41.8851 177.8785 143 E 4.2401 7.9136 118.2248 59.2964 29.4133 178.6416 144 R 3.7442 7.6972 116.1742 59.2617 29.7887 178.9380 145 L 4.0235 7.7981 119.4427 57.8435 41.5383 179.0222 146 Q 4.0832 7.4105 115.4283 57.5453 28.9960 177.3913 147 K 4.0004 7.2895 119.8005 59.8146 32.6608 177.6742 148 Y 4.5583 8.1673 114.5812 59.0593 38.3846 176.2529 149 L 4.7654 7.8048 119.0975 54.3389 41.7895 178.0500 150 S 3.9482 7.7899 113.0191 63.0313 63.1597 175.1641 151 G 2.3256 7.5747 107.7914 46.4092 0.0000 172.9607 152 F 4.8761 7.5489 120.6549 57.6695 39.2349 175.1457 153 R 4.5791 7.4361 119.2430 57.3181 34.1644 178.9990 154 L 4.3896 7.6709 115.7995 54.2854 40.9306 180.2827 155 L 3.7020 7.6320 133.7943 55.4437 39.4001 177.2435 156 K 4.6563 7.9829 128.6853 55.0112 32.2006 177.7492 157 R 4.4891 8.0074 113.5105 56.3591 32.9343 173.0355 158 L 3.2892 8.1852 124.2739 53.3773 41.5017 175.3843 159 P 4.3315 0.0000 0.0000 62.3727 31.8172 175.4687 160 D 4.7551 8.6268 116.1918 53.1374 40.9853 176.3535 161 A 4.7693 7.1205 121.6685 52.6368 22.4835 175.7255 162 I 4.9772 7.5935 110.9750 60.6504 41.2195 173.6328 163 F 5.8074 8.6863 129.1128 55.9757 41.1728 174.3665 164 V 4.5733 7.3667 124.5112 61.9719 35.1621 174.7397 165 V 3.6422 8.5410 121.8225 62.3356 32.0634 178.6844 166 D 4.4523 6.0500 135.0000 53.1136 39.9505 173.1951 167 P 3.9894 0.0000 0.0000 66.1000 31.5025 177.3518 168 T 3.8440 7.6003 111.4156 63.8572 68.7728 175.4161 169 K 3.8753 7.8253 121.6432 59.1179 32.6683 177.7080 170 E 4.4220 8.2234 117.4170 56.3416 30.1532 178.1305 171 A 4.0738 7.6939 121.9352 53.9394 18.9370 180.3178 172 I 3.7600 7.5515 115.6727 63.5943 37.4588 177.6978 173 A 2.5800 7.3649 122.9803 53.9526 18.2784 179.9042 174 V 3.2792 6.9892 115.2373 66.6190 31.9162 177.2241 175 R 3.9141 8.1827 118.3248 57.8172 29.6662 178.1511 176 E 3.9672 8.1611 116.7555 60.3114 29.7036 178.6629 177 A 4.1051 8.5004 120.7784 53.6696 17.9026 179.4100 178 R 3.5193 7.8456 119.6700 58.5667 31.2285 178.6140 179 K 3.8984 8.3674 119.8208 59.3948 32.0511 178.4020 180 L 4.3374 7.6307 115.5471 53.6120 42.6585 177.0027 181 F 3.9401 7.3115 118.4676 58.1330 36.0073 173.2187 182 I 4.6161 8.0185 119.8899 58.4930 40.5804 173.6026 183 P 4.4635 0.0000 0.0000 63.4758 32.5118 175.3685 184 V 4.4327 9.7681 125.5323 61.6043 32.7392 173.9971 185 I 5.5785 8.5380 129.0842 58.8234 39.6868 174.9188 186 A 4.2073 8.2411 126.2521 50.8003 22.6429 175.1717 187 L 5.0226 8.6188 123.0523 53.8265 41.3510 175.8717 188 A 4.7694 7.8211 128.2548 50.9311 22.7858 173.7248 189 D 4.0444 7.8866 113.6473 53.7423 42.3004 175.6555 190 T 3.1587 8.3637 108.3836 65.5173 68.5271 174.3518 191 D 4.3891 8.0760 120.4533 56.4166 41.2578 176.4524 192 S 4.7119 7.3974 113.4092 56.7472 65.1610 172.3016 193 D 4.8884 8.2609 120.0444 51.2934 41.4331 173.1590 194 P 4.3698 0.0000 0.0000 66.9524 30.8514 179.5385 195 D 3.6455 6.6926 110.8649 54.5041 42.2383 175.9215 196 L 4.3010 7.8534 122.7473 56.5465 41.4835 177.8018 197 V 4.3008 7.6537 119.1859 62.0876 33.6678 174.4025 198 D 4.2271 8.9835 127.4853 57.0939 41.3871 176.5397 199 Y 4.5119 8.3351 118.7562 56.3401 41.1097 174.3283 200 I 4.7885 8.4546 125.1710 59.9539 39.4128 176.5415 201 I 4.5190 8.3460 127.8606 58.3412 37.4288 171.1262 202 P 5.0017 0.0000 0.0000 63.1240 31.7498 176.4987 203 G 4.1644 9.0247 112.7702 45.4199 0.0000 171.0879 204 N 4.2574 9.2144 121.6809 53.6270 38.5061 174.2890 205 D 4.7361 8.1846 129.1118 53.9464 39.4494 176.3583 206 D 5.3111 7.3906 115.5672 54.5211 44.8690 176.6270 207 A 3.9465 7.9035 117.3128 53.1276 19.8484 178.4169 208 I 3.8357 8.5847 125.3046 64.0801 37.0827 178.5244 209 R 3.8501 7.8596 119.1916 59.2055 29.9493 178.3150 210 S 4.2515 8.1306 112.1914 61.7058 62.3089 176.4457 211 I 3.6873 7.6370 121.7642 64.3411 36.8520 177.9169 212 Q 3.9130 8.3490 120.7320 59.1903 28.9901 177.9263 213 L 3.8848 8.0610 121.3436 58.6705 41.8464 179.2356 214 I 3.9807 7.4034 117.6176 64.2474 37.2837 178.1662 215 L 4.4918 8.8053 120.4033 57.8152 41.4415 179.1553 216 S 4.9710 8.5498 115.2424 60.7341 62.3119 175.9310 217 R 4.8371 8.1248 119.5195 57.0759 30.2130 177.7513 218 A 4.8313 8.0966 121.5147 54.4222 19.9575 179.6248 219 V 3.8097 7.6109 115.6586 65.2394 31.3953 177.9145 220 D 4.3090 7.7299 117.6288 57.5748 40.7293 177.8936 221 L 4.0997 7.8011 116.3967 56.5979 42.3057 177.6101 222 I 4.1867 7.4422 118.5864 64.0833 38.0890 177.7117 223 I 3.8124 7.6324 112.5750 63.4039 37.8062 177.1138 224 Q 4.1370 8.4435 120.5938 56.5563 28.8993 175.5573 225 A 4.7169 7.9701 118.2573 52.4849 19.7269 177.6785 226 R 4.4743 8.1701 113.7984 54.8600 32.2505 176.5229 227 G 3.8691 8.3109 106.2077 46.9355 0.0000 174.5655 228 G 4.1192 8.6059 113.1863 46.4860 0.0000 174.4493 229 V 3.9094 7.3198 124.2085 62.9206 29.5241 175.5865 230 V 3.8385 7.3824 115.3135 61.2541 32.2197 175.5558 231 E 4.5420 8.2609 117.8409 54.3273 31.2887 173.8433 232 P 4.2753 0.0000 0.0000 63.1652 31.8803 176.3636 233 S 4.4189 8.3274 115.7067 56.4589 63.2423 172.0131 234 P 4.3519 0.0000 0.0000 63.4918 29.3473 175.4204 235 S 4.3316 7.8483 119.3955 58.7365 64.4852 171.5926 236 Y 4.1049 7.7963 123.4141 57.2789 39.7491 176.5240 237 A 4.6520 9.0559 135.0000 51.9961 17.1428 180.2123 238 L 4.2561 9.2930 121.9264 58.3880 40.8253 176.6787 239 V 3.2253 7.5354 118.4738 63.1750 29.7460 177.2811 240 Q 2.7974 8.2466 126.6299 58.2664 29.6878 174.8795 *241 E 4.1515 7.7926 118.6734 56.3300 30.4602 177.8647 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 3.99 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 0.95 0.00 0.00 0.90 0.00 0.00 8 K 7.90 3.84 0.00 1.87 1.82 0.00 1.67 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.42 7.81 9 E 7.09 3.75 0.00 2.00 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 2.35 2.26 0.00 10 L 7.76 3.89 0.00 1.58 1.69 0.91 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.86 4.07 0.00 1.74 1.69 0.92 0.90 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 12 E 8.34 3.87 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 13 A 7.70 4.15 0.92 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 0.00 0.00 14 G 8.10 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 V 5.53 4.68 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 0.63 0.00 0.00 0.73 0.00 0.00 16 H 7.19 5.05 0.00 3.15 3.25 0.00 5.92 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 17 F 8.61 4.80 0.00 3.12 2.89 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 18 G 9.39 4.43 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 0.00 19 H 8.30 5.00 0.00 3.10 3.00 0.00 5.73 0.00 0.00 0.00 0.00 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 7.84 3.73 0.00 1.91 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.07 0.00 21 R 7.94 4.07 0.00 1.74 1.65 0.00 3.12 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 22 K 8.14 3.93 0.00 1.85 1.94 0.00 1.84 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.36 1.32 7.81 23 R 7.97 4.71 0.00 1.76 1.87 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 24 W 8.55 4.55 0.00 3.60 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 N 8.80 4.21 0.00 2.60 2.78 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 2.98 0.00 1.84 1.35 0.00 3.23 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 27 K 7.90 4.01 0.00 1.95 1.94 0.00 1.61 0.00 0.00 2.12 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.25 7.81 28 F 8.74 4.33 0.00 2.99 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 29 A 7.98 4.42 1.53 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 30 R 7.60 4.12 0.00 1.93 1.97 0.00 2.86 0.00 0.00 3.03 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 31 Y 6.92 4.74 0.00 1.65 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 32 I 7.65 4.74 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.72 0.98 0.00 0.00 33 Y 8.76 4.52 0.00 2.93 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 34 A 7.12 4.32 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.01 4.74 0.00 1.84 1.77 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 2.23 2.21 0.00 36 R 7.55 3.67 0.00 1.81 1.80 0.00 3.46 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 37 N 9.53 3.98 0.00 2.82 2.85 0.00 0.00 7.08 7.65 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 38 G 6.86 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 39 I 7.18 3.50 1.79 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 1.37 1.21 0.89 0.00 0.00 40 H 8.27 4.88 0.00 3.21 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.29 3.65 2.01 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.32 0.96 0.00 0.00 42 I 8.16 4.43 2.07 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.26 1.09 0.00 0.00 43 D 8.61 4.30 0.00 2.87 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 44 L 8.84 4.12 0.00 1.74 1.67 1.04 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.66 3.77 0.00 2.05 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.78 0.00 0.00 0.00 0.00 0.00 2.43 2.44 0.00 46 K 9.57 3.60 0.00 1.97 1.74 0.00 1.75 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.17 1.44 7.81 47 T 7.79 3.81 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 48 M 8.63 4.03 0.00 2.39 2.34 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 2.59 2.60 0.00 49 E 7.83 4.58 0.00 2.14 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 2.50 2.21 0.00 50 E 8.11 3.98 0.00 2.14 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 2.26 2.17 0.00 51 L 7.85 4.16 0.00 2.03 2.30 1.06 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.55 3.99 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 53 R 8.04 4.02 0.00 1.92 2.06 0.00 3.33 0.00 0.00 3.24 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.82 0.00 54 T 7.87 3.89 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 0.80 0.00 0.00 55 F 8.89 4.22 0.00 3.04 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 56 R 7.83 3.97 0.00 2.13 2.08 0.00 3.34 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.87 0.00 57 F 8.21 4.09 0.00 2.33 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 I 7.55 3.70 2.07 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.07 0.89 0.00 0.00 59 E 9.12 4.05 0.00 2.07 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 2.30 2.33 0.00 60 D 7.72 4.52 0.00 2.80 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 61 L 7.21 4.41 0.00 1.45 1.57 0.65 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.21 3.85 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 63 M 8.14 5.04 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.67 0.00 64 R 7.99 4.40 0.00 1.85 1.96 0.00 3.00 0.00 0.00 3.13 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 65 G 8.06 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 0.00 0.00 0.00 66 G 8.30 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 67 T 8.59 4.30 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 68 I 8.37 4.72 2.13 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.04 1.22 0.00 0.00 69 L 8.33 5.71 0.00 1.85 1.68 1.30 1.13 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 70 F 9.36 5.11 0.00 3.19 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 71 V 8.93 4.68 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.95 0.00 0.00 72 G 9.24 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.52 4.56 4.32 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 1.38 0.00 0.00 74 K 7.78 4.25 0.00 1.96 1.98 0.00 1.48 0.00 0.00 1.78 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.45 7.81 75 K 8.81 3.97 0.00 1.78 1.93 0.00 1.81 0.00 0.00 1.79 0.00 0.00 2.95 0.00 0.00 3.31 0.00 0.00 0.00 0.00 1.47 1.43 7.81 76 Q 8.30 4.02 0.00 2.10 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.06 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 77 A 7.50 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 78 Q 7.63 4.21 0.00 2.36 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.78 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 79 D 8.78 4.49 0.00 2.89 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 7.79 3.58 1.85 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 1.53 1.31 0.92 0.00 0.00 81 V 8.25 3.81 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 1.06 0.00 0.00 1.04 0.00 0.00 82 R 7.88 3.01 0.00 1.73 2.00 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.66 0.00 83 M 8.26 3.95 0.00 2.03 2.05 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 2.67 2.56 0.00 84 E 7.85 3.96 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 2.53 2.56 0.00 85 A 7.41 3.58 0.99 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 0.00 0.00 86 E 8.38 4.02 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 87 R 8.29 4.34 0.00 1.80 1.85 0.00 3.52 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 88 A 8.44 5.06 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 89 G 8.13 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 M 7.44 4.67 0.00 2.12 1.95 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.51 0.00 91 P 0.00 4.62 0.00 2.13 1.97 0.00 3.84 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 2.10 2.10 0.00 92 Y 8.52 5.44 0.00 3.10 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 93 V 9.63 4.63 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 1.18 0.00 0.00 1.28 0.00 0.00 94 N 9.45 5.14 0.00 3.02 2.94 0.00 0.00 7.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.81 4.94 0.00 2.41 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 96 R 8.88 3.99 0.00 1.54 1.78 0.00 3.38 0.00 0.00 3.38 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 97 W 8.82 4.32 0.00 3.27 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.17 3.51 0.00 1.26 1.26 0.68 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.15 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 10.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 M 6.58 3.85 0.00 1.54 1.11 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 102 L 8.78 4.72 0.00 1.99 1.72 1.42 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 103 T 8.65 3.94 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 104 N 8.17 5.02 0.00 2.75 2.78 0.00 0.00 6.84 8.33 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 0.00 105 F 8.38 4.42 0.00 3.23 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 0.00 106 K 8.11 3.51 0.00 1.77 1.84 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.50 7.81 107 T 7.73 4.33 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 1.18 0.00 0.00 108 I 7.66 3.83 2.09 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.37 0.85 0.00 0.00 109 S 8.15 4.27 0.00 3.71 3.57 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 0.00 110 Q 7.46 4.18 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 111 R 7.56 4.36 0.00 2.10 1.98 0.00 3.27 0.00 0.00 3.10 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.74 0.00 112 V 7.87 3.78 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 0.99 0.00 0.00 1.19 0.00 0.00 113 H 8.13 4.54 0.00 3.24 3.28 0.00 5.95 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 7.44 4.39 0.00 2.19 2.01 0.00 3.17 0.00 0.00 3.38 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.52 0.00 115 L 7.69 4.17 0.00 1.94 1.81 0.90 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.00 4.21 0.00 2.24 2.19 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 2.52 2.39 0.00 117 E 7.92 3.99 0.00 1.93 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 2.23 2.22 0.00 118 L 7.36 4.41 0.00 1.67 1.74 1.01 0.90 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 0.00 119 E 7.87 4.11 0.00 2.15 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 2.32 2.41 0.00 120 A 7.95 4.16 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 0.00 121 L 7.58 4.04 0.00 1.63 1.77 0.95 0.82 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 0.00 122 F 7.96 4.34 0.00 3.14 3.32 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 0.00 123 A 7.62 4.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 7.43 4.77 0.00 3.93 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 0.00 125 P 0.00 4.32 0.00 2.23 2.23 0.00 3.71 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 1.97 0.00 126 E 7.87 4.52 0.00 1.99 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 2.32 2.23 0.00 127 I 7.41 4.14 1.82 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 1.50 0.68 0.89 0.00 0.00 128 E 7.89 4.18 0.00 1.94 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 2.31 2.32 0.00 129 E 8.04 4.28 0.00 2.09 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 2.30 2.35 0.00 130 R 9.31 3.70 0.00 1.87 1.94 0.00 3.41 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.68 0.00 131 P 0.00 4.19 0.00 2.21 2.21 0.00 3.73 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 2.08 1.99 0.00 132 K 8.90 3.42 0.00 1.80 1.88 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.51 7.81 133 K 8.01 4.27 0.00 1.79 1.85 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.40 7.81 134 E 8.88 4.62 0.00 1.99 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 135 Q 7.63 4.26 0.00 2.09 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 136 V 7.48 4.31 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 0.99 0.00 0.00 0.99 0.00 0.00 137 R 7.82 3.99 0.00 1.98 1.90 0.00 3.58 0.00 0.00 3.36 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 138 L 8.20 4.29 0.00 1.85 1.73 0.93 0.59 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 0.00 139 K 7.91 3.92 0.00 1.84 1.94 0.00 1.86 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.60 7.81 140 H 8.93 4.19 0.00 3.55 3.39 0.00 5.84 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 8.29 3.97 0.00 2.18 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 2.32 2.33 0.00 142 L 8.23 4.24 0.00 1.90 1.63 0.98 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 143 E 7.91 4.24 0.00 2.21 1.77 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 2.55 2.41 0.00 144 R 7.70 3.74 0.00 2.09 2.16 0.00 3.02 0.00 0.00 3.40 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.82 0.00 145 L 7.80 4.02 0.00 1.81 1.78 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.41 4.08 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 147 K 7.29 4.00 0.00 1.48 1.48 0.00 1.53 0.00 0.00 0.92 0.00 0.00 2.49 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.49 1.13 7.81 148 Y 8.17 4.56 0.00 2.96 2.89 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 0.00 149 L 7.80 4.77 0.00 1.95 1.74 1.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 150 S 7.79 3.95 0.00 3.89 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 G 7.57 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 7.55 4.88 0.00 2.95 2.96 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 0.00 153 R 7.44 4.58 0.00 1.74 1.87 0.00 3.25 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.94 0.00 154 L 7.67 4.39 0.00 1.57 0.82 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.63 3.70 0.00 1.57 1.50 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 156 K 7.98 4.66 0.00 1.76 1.84 0.00 1.79 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.57 7.81 157 R 8.01 4.49 0.00 1.80 1.80 0.00 3.30 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.55 0.00 158 L 8.19 3.29 0.00 1.62 1.52 1.06 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.33 0.00 2.15 2.13 0.00 3.65 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 160 D 8.63 4.76 0.00 2.85 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 0.00 161 A 7.12 4.77 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 0.00 162 I 7.59 4.98 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.51 1.00 0.00 0.00 163 F 8.69 5.81 0.00 2.37 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 V 7.37 4.57 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 0.81 0.00 0.00 0.76 0.00 0.00 165 V 8.54 3.64 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 0.65 0.00 0.00 0.94 0.00 0.00 166 D 6.05 4.45 0.00 2.67 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 3.99 0.00 2.15 1.97 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 168 T 7.60 3.84 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 1.17 0.00 0.00 169 K 7.83 3.88 0.00 2.02 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.51 7.81 170 E 8.22 4.42 0.00 1.93 1.65 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 2.22 2.26 0.00 171 A 7.69 4.07 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 I 7.55 3.76 2.12 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 1.42 0.47 1.06 0.00 0.00 173 A 7.36 2.58 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 V 6.99 3.28 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 0.94 0.00 0.00 0.83 0.00 0.00 175 R 8.18 3.91 0.00 1.92 1.96 0.00 3.24 0.00 0.00 3.19 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 176 E 8.16 3.97 0.00 2.55 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 2.58 2.80 0.00 177 A 8.50 4.11 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 R 7.85 3.52 0.00 1.84 2.13 0.00 3.32 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 179 K 8.37 3.90 0.00 1.89 1.97 0.00 1.65 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.37 7.81 180 L 7.63 4.34 0.00 1.72 1.73 1.08 0.77 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 7.31 3.94 0.00 3.29 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 0.00 182 I 8.02 4.62 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.83 1.01 0.00 0.00 183 P 0.00 4.46 0.00 2.32 2.02 0.00 3.85 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.30 0.00 184 V 9.77 4.43 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 0.93 0.00 0.00 0.95 0.00 0.00 185 I 8.54 5.58 2.04 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 1.20 0.43 1.09 0.00 0.00 186 A 8.24 4.21 1.03 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 0.00 187 L 8.62 5.02 0.00 1.36 1.41 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 188 A 7.82 4.77 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 0.00 189 D 7.89 4.04 0.00 2.61 2.89 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 0.00 190 T 8.36 3.16 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 1.27 0.00 0.00 191 D 8.08 4.39 0.00 2.57 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 0.00 192 S 7.40 4.71 0.00 3.86 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 0.00 193 D 8.26 4.89 0.00 2.93 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 0.00 194 P 0.00 4.37 0.00 2.13 2.27 0.00 3.80 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.79 0.00 195 D 6.69 3.65 0.00 2.67 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 0.00 196 L 7.85 4.30 0.00 1.69 1.72 0.93 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 197 V 7.65 4.30 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 0.94 0.00 0.00 0.98 0.00 0.00 198 D 8.98 4.23 0.00 2.72 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 0.00 199 Y 8.34 4.51 0.00 2.85 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 0.00 200 I 8.45 4.79 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 1.15 0.00 0.00 201 I 8.35 4.52 1.93 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 1.41 1.81 1.00 0.00 0.00 202 P 0.00 5.00 0.00 2.33 2.34 0.00 3.85 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.66 0.00 203 G 9.02 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 0.00 0.00 0.00 204 N 9.21 4.26 0.00 2.93 2.92 0.00 0.00 7.02 8.47 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 0.00 205 D 8.18 4.74 0.00 2.75 2.77 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 0.00 206 D 7.39 5.31 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 A 7.90 3.95 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 0.00 0.00 0.00 0.00 0.00 208 I 8.58 3.84 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.62 0.90 0.00 0.00 209 R 7.86 3.85 0.00 1.78 1.94 0.00 3.23 0.00 0.00 3.32 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 210 S 8.13 4.25 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.64 3.69 2.03 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 1.39 0.76 0.92 0.00 0.00 212 Q 8.35 3.91 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 213 L 8.06 3.88 0.00 1.73 1.59 0.56 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 214 I 7.40 3.98 1.98 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 1.70 1.00 1.15 0.00 0.00 215 L 8.81 4.49 0.00 1.88 1.87 1.48 0.95 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 0.00 216 S 8.55 4.97 0.00 3.96 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 217 R 8.12 4.84 0.00 2.07 1.95 0.00 3.22 0.00 0.00 3.03 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 218 A 8.10 4.83 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 0.00 219 V 7.61 3.81 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 1.10 0.00 0.00 0.98 0.00 0.00 220 D 7.73 4.31 0.00 2.77 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 7.80 4.10 0.00 1.61 1.87 0.97 0.87 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 0.00 222 I 7.44 4.19 2.05 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 1.72 1.18 0.92 0.00 0.00 223 I 7.63 3.81 1.86 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 1.49 0.72 0.90 0.00 0.00 224 Q 8.44 4.14 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.87 0.00 0.00 0.00 0.00 0.00 2.35 2.28 0.00 225 A 7.97 4.72 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 0.00 226 R 8.17 4.47 0.00 1.89 1.91 0.00 3.12 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.69 0.00 227 G 8.31 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 0.00 228 G 8.61 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 0.00 229 V 7.32 3.91 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 0.91 0.00 0.00 230 V 7.38 3.84 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 0.85 0.00 0.00 0.93 0.00 0.00 231 E 8.26 4.54 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 232 P 0.00 4.28 0.00 2.10 2.09 0.00 3.68 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 233 S 8.33 4.42 0.00 3.82 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 0.00 234 P 0.00 4.35 0.00 2.23 2.13 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 235 S 7.85 4.33 0.00 3.81 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 0.00 236 Y 7.80 4.10 0.00 2.94 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 A 9.06 4.65 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 238 L 9.29 4.26 0.00 1.78 1.81 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 239 V 7.54 3.23 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 0.74 0.00 0.00 0.93 0.00 0.00 240 Q 8.25 2.80 0.00 2.21 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.42 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 *241 E 7.79 4.15 0.00 1.73 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.