NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 4.0014 8.0549 120.3868 62.7130 33.1175 176.1691 8 K 3.5688 7.7474 118.6084 57.5564 31.8198 176.7283 9 E 3.3125 8.2226 115.2166 57.1607 31.4138 179.5986 10 L 3.7413 7.5562 120.0085 58.2688 42.4579 178.7367 11 L 3.8700 7.9435 118.6737 58.6567 41.6011 179.1496 12 E 3.8146 8.1370 116.7673 59.7525 29.3690 179.2071 13 A 3.4017 8.1519 121.7143 55.7598 18.4265 178.7619 14 G 3.6941 7.7427 104.4685 45.9369 0.0000 174.4968 15 V 4.5668 7.0982 111.7043 59.7626 34.3163 173.7518 16 H 5.0679 8.3237 113.9286 53.7994 30.1683 173.2568 17 F 4.7851 8.7691 112.0685 56.7657 40.5438 169.8643 18 G 4.2951 9.0679 118.6350 43.3088 0.0000 171.1980 19 H 4.8411 8.1702 127.4313 55.1618 33.8260 174.2905 20 E 3.9569 8.5922 115.0208 55.0069 30.6870 175.3036 21 R 4.6675 8.1681 118.2507 55.3176 32.7548 175.3506 22 K 3.9376 9.1688 118.8457 57.2486 30.6638 175.4135 23 R 4.8242 7.6967 116.6314 54.8316 30.3159 173.7378 24 W 5.0272 8.3009 118.4310 55.6246 30.1952 175.1794 25 N 4.3563 8.4286 115.5054 51.3949 41.1722 174.3004 26 P 2.9700 0.0000 0.0000 65.2002 31.7536 177.7082 27 K 3.8953 8.7080 119.1996 59.5740 31.9784 179.2714 28 F 4.0056 7.9695 116.3112 58.8156 38.4843 176.2868 29 A 4.5484 8.2279 123.1341 53.4756 18.4470 179.7527 30 R 4.0688 7.6028 111.4442 57.7480 29.9743 176.3207 31 Y 4.7480 6.6856 116.6154 55.3653 37.5000 173.7040 32 I 4.3776 7.5968 123.0680 60.9928 40.9906 172.7765 33 Y 4.3247 9.5935 130.0764 59.2008 39.0349 174.6016 34 A 4.1897 7.2443 119.2412 52.0461 21.7875 174.3624 35 E 5.0266 8.2708 118.5029 53.7426 29.5529 174.0382 36 R 4.1176 8.1025 123.4152 55.8477 30.9079 176.0087 37 N 4.0272 9.7876 119.3803 53.7135 37.8452 172.6650 38 G 3.6257 7.5318 107.8115 45.6759 0.0000 175.2622 39 I 3.9039 7.4719 122.8536 60.9720 38.8924 174.5901 40 H 4.6699 8.3892 121.6369 55.3011 29.9726 174.9722 41 I 3.9889 9.4332 127.1490 59.5974 37.0749 175.0080 42 I 4.0927 8.2039 127.1710 61.0921 39.0576 175.1153 43 D 4.6115 9.0345 128.1584 53.5722 40.7766 176.6112 44 L 4.5668 8.5919 129.7167 57.1262 41.5576 178.7601 45 Q 3.8903 8.2126 119.3042 59.4791 28.9174 179.0834 46 K 4.6693 8.7511 121.6520 59.5600 32.1665 178.3251 47 T 3.6289 7.9168 115.3104 67.4968 68.3669 175.4306 48 M 3.7582 8.6956 119.0623 59.0072 32.5151 178.2516 49 E 3.9331 7.9356 117.7324 59.8671 29.8620 179.8208 50 E 4.0378 8.0567 117.9219 59.1703 29.4094 179.0181 51 L 4.0153 8.0580 119.4805 58.1332 41.8523 178.5651 52 E 3.8537 8.9226 115.3683 59.6183 29.1914 179.0305 53 R 3.9131 6.7022 116.6681 60.0776 31.0923 177.4225 54 T 3.8842 8.2012 115.7676 66.7083 67.7730 176.5498 55 F 4.0465 8.5290 119.7325 60.4814 38.9192 177.7306 56 R 4.0406 8.5165 118.3180 59.5210 29.7343 178.3914 57 F 4.3449 7.8733 118.4251 61.4806 39.3257 176.6044 58 I 3.4261 7.7279 119.5381 64.4753 37.0628 177.9106 59 E 4.0864 9.4071 119.9339 59.2865 29.3226 177.8666 60 D 4.5153 8.5786 114.7509 55.1774 41.3014 175.8073 61 L 4.3253 7.4737 119.2739 56.6710 44.1684 178.1890 62 A 4.0493 8.9241 121.2640 54.2913 18.3140 177.6310 63 M 4.4401 7.8613 111.4385 55.1179 31.8998 176.4623 64 R 4.4894 7.6920 116.5003 55.9247 30.1787 175.7349 65 G 3.9070 8.2575 102.9675 47.9604 0.0000 174.5571 66 G 4.1142 7.8675 106.0458 43.4231 0.0000 172.9615 67 T 4.5217 8.3496 113.6684 60.7784 70.8120 173.6547 68 I 4.8073 8.4510 123.7787 59.4269 41.0712 174.5755 69 L 5.1056 8.3778 126.7468 53.6598 44.4010 175.2990 70 F 5.6454 9.3373 124.9877 56.0429 40.9380 175.3176 71 V 4.9903 8.1728 120.4761 61.9293 35.6165 174.1641 72 G 4.1502 9.2937 113.2047 46.2234 0.0000 173.0449 73 T 4.8324 8.5552 116.0849 60.6673 69.4941 174.7848 74 K 4.5268 7.5880 121.8872 55.2158 34.6465 177.2507 75 K 3.9516 8.7031 123.2560 59.8804 32.2897 178.4539 76 Q 4.4745 7.9817 116.0058 55.9464 28.2874 175.5568 77 A 4.6331 7.9160 122.1783 52.0149 22.6212 178.4420 78 Q 4.0827 7.7634 117.9708 57.3217 28.3566 179.6768 79 D 4.1209 7.6193 119.2162 56.0874 42.3419 179.4049 80 I 3.5848 7.9929 113.9829 63.3349 37.7993 177.9867 81 V 3.4848 7.8198 121.1195 65.4012 30.5688 177.9593 82 R 3.5999 8.1820 118.6307 60.0067 29.9555 177.5038 83 M 4.0599 8.4527 118.7290 56.5887 31.5784 178.1900 84 E 3.6974 8.0067 122.4064 59.2619 30.3738 179.4602 85 A 3.5996 7.0890 120.2349 54.9401 18.5590 179.4652 86 E 3.9013 7.1255 114.8243 58.9470 29.8198 178.1986 87 R 4.2783 7.8017 117.9590 56.2476 31.4631 175.7617 88 A 4.2184 8.0934 121.3589 51.1130 22.5773 178.5226 89 G 3.8891 8.0919 103.4395 46.0188 0.0000 173.3123 90 M 4.4964 7.3897 118.6710 53.5168 33.0167 174.7570 91 P 4.8246 0.0000 0.0000 63.5492 33.0531 174.0557 92 Y 5.9842 8.4410 117.9232 57.8509 41.4275 173.5819 93 V 4.3388 8.2698 118.4966 61.5854 34.0230 174.8653 94 N 5.1550 9.1073 125.0111 53.3088 41.7238 175.2007 95 Q 4.6122 7.7759 121.6113 55.9166 27.7980 177.4979 96 R 4.1760 8.8440 128.1458 56.0719 29.5325 176.6022 97 W 4.1610 8.6371 134.2229 56.5581 28.5912 174.9967 98 L 3.6043 7.4756 122.8846 54.1087 41.9389 177.2755 99 G 3.6502 8.1827 110.4399 46.1646 0.0000 174.0361 100 G 3.8318 10.9920 113.2113 45.9739 0.0000 175.0386 101 M 3.9784 6.9467 119.1350 56.9516 32.2545 178.4007 102 L 4.0497 8.5795 122.7536 58.8313 42.2852 179.4648 103 T 4.1702 9.0856 114.8519 65.8913 68.7494 174.5389 104 N 4.7974 8.8375 121.6964 51.3497 39.3043 175.7990 105 F 4.5830 8.6533 120.5138 60.5930 38.8685 175.2863 106 K 3.7628 8.2306 118.0384 60.2526 31.8188 178.5418 107 T 4.5436 7.6352 115.2536 65.8157 68.8033 176.7125 108 I 3.8094 8.0122 122.2148 64.2102 37.0729 178.2286 109 S 3.9555 8.7955 117.3684 62.5162 62.5652 177.3071 110 Q 3.8005 7.5135 119.1120 58.9227 28.2569 180.2954 111 R 3.9736 8.3161 119.5570 58.8611 29.9936 178.6442 112 V 3.6143 7.9744 118.5524 66.7723 31.3560 177.7912 113 H 4.2182 8.2528 114.9841 58.9339 28.4072 177.6356 114 R 3.9218 7.7834 120.4325 59.1463 29.7352 177.8432 115 L 4.0385 8.2193 121.4517 57.9933 42.0346 178.5119 116 E 3.9065 8.1541 117.1150 59.5913 29.1333 178.7039 117 E 3.9294 8.2553 119.4809 59.1903 29.4581 178.9760 118 L 4.1710 7.5397 117.7576 56.6381 42.3246 178.2581 119 E 3.9709 8.5424 118.5837 59.2518 29.7466 178.5788 120 A 4.3078 8.4127 120.8046 54.6152 18.9299 179.0249 121 L 4.1176 7.2795 116.2600 56.9948 42.1289 178.4018 122 F 4.6074 8.5068 120.4638 60.5137 39.5893 175.0346 123 A 3.9367 7.0632 126.6809 51.2163 18.0633 176.0309 124 S 4.5003 7.5029 114.2175 58.0611 65.2078 175.1591 125 P 4.4776 0.0000 0.0000 64.2924 31.9173 177.6797 126 E 4.1859 7.9135 119.1086 58.2109 29.4581 178.6963 127 I 3.9515 7.1867 118.5271 63.4476 37.5253 176.8536 128 E 4.0840 8.0307 121.1204 58.6578 30.1842 176.7024 129 E 4.5081 7.3774 119.4515 56.1870 29.6942 171.8168 130 R 3.9357 8.7652 132.1654 56.1409 30.4309 174.9981 131 P 4.5154 0.0000 0.0000 62.2162 33.6728 177.2281 132 K 3.9647 8.5703 118.8603 59.1452 31.9880 178.9350 133 K 3.8896 8.0384 118.6836 59.7235 32.0712 178.7261 134 E 4.0540 8.0751 117.9432 59.2662 29.3552 178.7141 135 Q 4.1588 8.1484 118.1409 58.9914 28.6376 179.4915 136 V 3.6717 7.7307 118.4091 65.5214 31.6109 177.4073 137 R 3.8855 7.9792 118.2841 59.8131 29.7714 178.0975 138 L 3.9928 8.7029 118.4500 57.8562 41.8574 179.5850 139 K 3.8956 7.7181 117.6710 60.1386 32.2207 178.7570 140 H 4.1256 8.5426 118.1751 59.3206 29.4454 176.8213 141 E 3.9736 9.2172 121.8679 58.7928 28.8207 178.2648 142 L 4.1327 8.1570 120.3246 57.2642 42.3155 177.8287 143 E 3.9869 7.7518 117.9903 59.6075 29.7495 179.5563 144 R 3.8420 7.7110 115.0774 59.0238 29.6409 178.0397 145 L 3.9103 7.4312 120.8428 58.2092 41.8156 178.9803 146 Q 4.0105 8.9799 117.8449 58.3894 29.0463 177.4485 147 K 3.9071 8.0726 120.0840 58.3793 32.1857 177.1850 148 Y 4.7634 7.4577 115.0274 58.1778 39.9605 176.7689 149 L 4.6084 7.6350 117.4348 54.5685 42.0245 177.9992 150 S 4.2990 8.1523 116.4129 60.9443 63.0083 175.0503 151 G 3.2716 7.6256 106.6815 44.4204 0.0000 171.7611 152 F 4.9040 8.5068 122.2319 55.7302 38.0701 173.4861 153 R 4.4000 7.3371 120.2048 54.1491 37.7400 181.4558 154 L 2.8048 7.2123 116.9410 54.6442 43.7833 176.0984 155 L 4.4418 8.3284 122.9121 54.3034 43.9045 177.8735 156 K 4.5407 8.4033 126.0960 54.7921 31.6215 176.8563 157 R 4.7237 7.4976 116.3193 54.8480 33.3938 174.1653 158 L 3.6013 8.2468 124.3977 54.2321 42.1821 175.3017 159 P 4.5269 0.0000 0.0000 62.7315 31.9404 176.3746 160 D 4.5907 7.9973 117.9966 54.5591 41.3801 175.9571 161 A 4.7479 7.3261 120.1026 51.9483 22.8066 174.9271 162 I 4.6888 8.0462 111.3227 59.9675 41.2268 173.8790 163 F 5.9312 8.4511 128.6465 56.2768 41.5280 174.4503 164 V 4.7929 8.1223 122.5258 61.9304 35.3276 176.1376 165 V 3.9322 8.3995 123.0783 61.9012 31.9518 179.1436 166 D 4.4453 9.3449 135.0000 53.6612 40.6527 173.5039 167 P 4.1601 0.0000 0.0000 66.4742 30.8408 177.9939 168 T 3.8906 7.3418 109.7805 64.1223 68.3954 175.6373 169 K 4.1327 7.8398 121.2902 58.3526 32.4948 177.3251 170 E 4.5446 8.3004 118.2856 55.4604 30.3296 177.7541 171 A 3.8997 8.0505 123.7507 55.4936 18.0777 180.1166 172 I 3.5603 7.6570 117.5244 64.4906 37.1280 177.9552 173 A 2.5800 7.4249 121.3108 54.6721 17.9384 179.6407 174 V 3.3355 7.2040 115.8202 66.6562 31.6419 177.3765 175 R 3.7512 8.7173 118.4977 59.5904 29.8127 178.0110 176 E 3.9808 8.7046 118.7627 59.3308 29.4233 179.3712 177 A 3.9992 8.2433 120.8008 55.6112 18.5148 179.6371 178 R 3.9391 8.3025 117.0908 59.4690 29.8769 178.6546 179 K 3.7578 7.9778 118.5402 58.5660 32.2343 177.8160 180 L 4.5110 7.3976 116.3056 52.8095 42.4850 175.5531 181 F 3.7338 7.1953 119.4866 57.8080 36.0129 173.8488 182 I 4.4041 8.1570 124.1470 59.2305 40.5940 173.1853 183 P 4.3723 0.0000 0.0000 62.7615 32.4053 175.1913 184 V 4.7734 8.6962 125.6312 61.0667 33.4964 174.4548 185 I 5.2229 8.4441 121.0180 59.3301 40.7162 174.2481 186 A 5.1490 8.8175 124.0978 51.6734 23.3886 175.4158 187 L 5.3903 9.8816 123.3657 53.4762 41.9383 175.4218 188 A 4.9382 8.5834 127.6730 50.1778 21.1950 175.5818 189 D 4.7785 8.0837 120.2202 52.3005 41.7712 176.9057 190 T 2.4936 8.1371 107.3917 63.6815 69.2683 173.6239 191 D 4.7083 7.0365 122.5699 53.6024 41.4106 175.6148 192 S 4.5338 7.2430 111.4618 57.3984 66.9904 173.8496 193 D 4.8385 8.3801 122.4944 50.8727 40.1372 173.8613 194 P 4.0314 0.0000 0.0000 62.6944 30.9291 182.0099 195 D 3.7097 6.8812 117.3031 55.0292 43.4983 176.1816 196 L 4.3060 7.5086 120.8423 56.0078 40.5981 176.8982 197 V 4.3374 7.8888 119.0308 61.9742 33.6277 174.6354 198 D 4.1254 8.6240 128.0277 56.6415 40.9785 176.7074 199 Y 4.2889 8.6740 124.8869 56.3458 39.1366 173.8808 200 I 4.4657 8.1449 125.1896 60.7067 38.3914 176.2777 201 I 4.3897 9.2952 130.6079 58.8679 37.3833 172.0625 202 P 5.2365 0.0000 0.0000 61.8101 31.8520 176.2769 203 G 4.6343 9.3789 119.3984 46.3714 0.0000 171.2314 204 N 3.7346 7.3388 120.1821 51.2343 40.1040 173.7689 205 D 4.8870 8.1929 122.9599 53.1986 40.6869 175.6933 206 D 4.5850 7.7860 118.1001 55.9023 43.0985 176.1633 207 A 4.0618 7.9734 124.2920 52.1506 18.0205 177.7055 208 I 3.7171 8.5211 124.4895 65.2363 36.4978 178.1649 209 R 3.8865 8.0817 118.6066 59.7527 29.9305 178.6430 210 S 4.2792 8.1291 112.1350 61.2951 62.4218 176.0050 211 I 3.6734 7.7889 122.1312 64.7215 36.7962 177.3811 212 Q 3.8954 8.3604 120.3015 59.9433 28.9086 177.8879 213 L 4.0273 7.7485 118.9124 59.2618 41.8097 179.1030 214 I 3.9268 8.1249 121.1714 64.2945 37.4006 177.9091 215 L 4.4617 8.2670 121.2692 58.4252 42.0109 177.5871 216 S 4.9765 9.1506 115.5649 60.0283 61.9644 175.4976 217 R 3.8841 8.1982 122.0543 58.6121 30.5410 178.7440 218 A 4.5550 7.8415 121.2793 55.2708 18.7278 179.7525 219 V 3.6077 8.0795 116.7889 66.2828 31.5126 177.4617 220 D 4.3544 8.2227 118.0675 57.7576 39.6947 178.4324 221 L 3.5110 7.7871 120.4019 58.6642 41.7224 179.3577 222 I 4.0795 7.6723 118.8237 63.9579 37.3813 177.7669 223 I 4.0530 7.9076 120.5696 63.4405 37.1032 177.6275 224 Q 3.9866 8.7374 120.8024 58.0927 30.0343 177.8494 225 A 4.5794 6.7706 123.0529 48.7681 16.0599 175.0977 226 R 4.3551 7.8263 129.4259 54.5904 33.1838 173.1867 227 G 3.8428 7.5502 108.9191 46.0397 0.0000 171.9148 228 G 3.1396 8.7058 115.7066 44.9697 0.0000 174.0457 229 V 3.6504 7.8270 121.0357 62.9895 32.2094 174.8869 230 V 4.5020 7.9020 122.3006 60.1643 34.4437 174.7859 231 E 4.3224 8.5405 119.2420 55.3997 30.7497 173.8992 232 P 4.3992 0.0000 0.0000 62.8538 31.7907 175.5538 233 S 4.6193 8.0679 113.8798 55.5876 64.9487 171.7009 234 P 4.2973 0.0000 0.0000 63.6743 30.2513 175.6033 235 S 4.4320 8.7213 118.0726 59.8086 64.3606 174.5039 236 Y 4.4954 7.8629 117.1472 56.6931 38.8745 174.0803 237 A 4.5715 8.1560 125.3787 53.2756 24.6552 176.9265 238 L 4.5002 7.6458 112.8819 56.0617 41.5824 176.3196 239 V 3.8042 7.9963 120.1574 64.4731 28.6710 174.1788 240 Q 3.5891 8.1097 130.5067 57.4559 29.0283 173.6184 *241 E 4.1630 7.9843 115.9961 56.0704 30.4602 177.5158 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 4.00 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 0.96 0.00 0.00 0.90 0.00 0.00 8 K 7.75 3.57 0.00 1.87 1.63 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.42 7.81 9 E 8.22 3.31 0.00 1.94 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 10 L 7.56 3.74 0.00 1.66 1.65 0.90 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.94 3.87 0.00 1.70 1.58 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.14 3.81 0.00 1.99 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 13 A 8.15 3.40 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 7.74 3.69 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 0.00 0.00 0.00 15 V 7.10 4.57 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 0.69 0.00 0.00 0.83 0.00 0.00 16 H 8.32 5.07 0.00 3.10 3.28 0.00 5.89 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 17 F 8.77 4.79 0.00 3.15 2.90 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 18 G 9.07 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 0.00 0.00 0.00 0.00 19 H 8.17 4.84 0.00 3.08 2.60 0.00 5.97 0.00 0.00 0.00 0.00 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.59 3.96 0.00 1.87 1.81 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 2.42 2.29 0.00 21 R 8.17 4.67 0.00 1.97 1.96 0.00 2.97 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 22 K 9.17 3.94 0.00 1.91 1.95 0.00 1.65 0.00 0.00 1.62 0.00 0.00 2.67 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.31 1.32 7.81 23 R 7.70 4.82 0.00 1.68 1.81 0.00 3.25 0.00 0.00 3.27 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 24 W 8.30 5.03 0.00 3.54 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 25 N 8.43 4.36 0.00 2.54 2.56 0.00 0.00 6.68 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 1.54 0.00 3.36 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 27 K 8.71 3.90 0.00 1.84 1.83 0.00 1.60 0.00 0.00 1.73 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.37 1.39 7.81 28 F 7.97 4.01 0.00 3.21 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.23 4.55 1.60 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 0.00 0.00 30 R 7.60 4.07 0.00 1.79 1.92 0.00 2.63 0.00 0.00 2.96 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 31 Y 6.69 4.75 0.00 1.85 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 32 I 7.60 4.38 2.14 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 1.37 0.45 1.14 0.00 0.00 33 Y 9.59 4.32 0.00 2.90 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 34 A 7.24 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.27 5.03 0.00 1.59 1.68 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 2.04 2.14 0.00 36 R 8.10 4.12 0.00 1.90 1.80 0.00 3.37 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 37 N 9.79 4.03 0.00 2.76 2.80 0.00 0.00 7.30 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 7.53 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 7.47 3.90 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.97 0.92 0.00 0.00 40 H 8.39 4.67 0.00 3.34 3.25 0.00 5.80 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 9.43 3.99 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.54 0.83 0.00 0.00 42 I 8.20 4.09 2.10 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.97 1.11 0.00 0.00 43 D 9.03 4.61 0.00 3.06 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 8.59 4.57 0.00 1.75 1.70 1.11 0.65 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 45 Q 8.21 3.89 0.00 2.02 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.92 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 46 K 8.75 4.67 0.00 2.17 1.80 0.00 1.88 0.00 0.00 2.06 0.00 0.00 3.24 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.55 7.81 47 T 7.92 3.63 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 1.30 0.00 0.00 48 M 8.70 3.76 0.00 2.21 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 2.61 2.64 0.00 49 E 7.94 3.93 0.00 2.30 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 2.55 0.00 50 E 8.06 4.04 0.00 2.04 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 2.07 1.92 0.00 51 L 8.06 4.02 0.00 2.01 2.08 1.03 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.92 3.85 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 2.38 2.40 0.00 53 R 6.70 3.91 0.00 2.04 1.97 0.00 3.16 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.85 0.00 54 T 8.20 3.88 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 0.81 0.00 0.00 55 F 8.53 4.05 0.00 3.08 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.52 4.04 0.00 1.99 2.08 0.00 3.35 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 1.73 1.87 0.00 57 F 7.87 4.34 0.00 2.41 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 7.73 3.43 2.01 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.56 0.88 0.00 0.00 59 E 9.41 4.09 0.00 2.03 2.22 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 2.29 2.46 0.00 60 D 8.58 4.52 0.00 2.78 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 61 L 7.47 4.33 0.00 1.19 1.39 0.78 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.92 4.05 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 63 M 7.86 4.44 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 64 R 7.69 4.49 0.00 1.88 1.97 0.00 3.14 0.00 0.00 3.19 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 65 G 8.26 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 66 G 7.87 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 0.00 0.00 0.00 0.00 67 T 8.35 4.52 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 1.24 0.00 0.00 68 I 8.45 4.81 2.16 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 1.20 0.50 0.67 0.00 0.00 69 L 8.38 5.11 0.00 1.80 1.61 1.23 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.34 5.65 0.00 3.20 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 71 V 8.17 4.99 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 1.02 0.00 0.00 1.09 0.00 0.00 72 G 9.29 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 73 T 8.56 4.83 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 74 K 7.59 4.53 0.00 1.96 1.97 0.00 1.51 0.00 0.00 1.84 0.00 0.00 2.84 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.42 1.41 7.81 75 K 8.70 3.95 0.00 1.79 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.90 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.43 7.81 76 Q 7.98 4.47 0.00 2.09 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 77 A 7.92 4.63 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 78 Q 7.76 4.08 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.36 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 79 D 7.62 4.12 0.00 2.83 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 80 I 7.99 3.58 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.66 0.86 0.00 0.00 81 V 7.82 3.48 2.44 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 1.10 0.00 0.00 1.04 0.00 0.00 82 R 8.18 3.60 0.00 1.91 2.05 0.00 3.21 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.81 0.00 83 M 8.45 4.06 0.00 1.99 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.81 0.00 84 E 8.01 3.70 0.00 1.78 1.83 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 2.33 2.34 0.00 85 A 7.09 3.60 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.13 3.90 0.00 1.86 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 2.30 2.17 0.00 87 R 7.80 4.28 0.00 1.73 1.82 0.00 3.42 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.74 0.00 88 A 8.09 4.22 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 8.09 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 0.00 0.00 0.00 90 M 7.39 4.50 0.00 2.44 1.90 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.90 0.00 91 P 0.00 4.82 0.00 2.20 2.14 0.00 4.04 0.00 0.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.17 0.00 92 Y 8.44 5.98 0.00 3.11 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 93 V 8.27 4.34 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 1.24 0.00 0.00 1.22 0.00 0.00 94 N 9.11 5.15 0.00 2.99 2.94 0.00 0.00 7.33 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 7.78 4.61 0.00 2.34 2.25 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 2.36 2.50 0.00 96 R 8.84 4.18 0.00 1.45 1.72 0.00 3.39 0.00 0.00 3.43 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.68 0.00 97 W 8.64 4.16 0.00 3.24 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.48 3.60 0.00 1.03 1.23 0.62 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.18 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 G 10.99 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 0.00 0.00 0.00 101 M 6.95 3.98 0.00 1.83 1.39 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.60 0.00 102 L 8.58 4.05 0.00 1.81 1.84 1.48 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 103 T 9.09 4.17 4.38 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 1.25 0.00 0.00 104 N 8.84 4.80 0.00 2.64 2.83 0.00 0.00 6.62 6.87 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 0.00 105 F 8.65 4.58 0.00 3.39 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 0.00 106 K 8.23 3.76 0.00 1.89 1.85 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.96 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.54 7.81 107 T 7.64 4.54 4.48 0.00 0.00 0.00 0.00 0.00 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 0.00 108 I 8.01 3.81 2.03 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 1.68 0.85 0.77 0.00 0.00 109 S 8.80 3.96 0.00 3.65 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 Q 7.51 3.80 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.65 0.00 111 R 8.32 3.97 0.00 1.94 1.96 0.00 3.29 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.73 0.00 112 V 7.97 3.61 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 1.04 0.00 0.00 1.01 0.00 0.00 113 H 8.25 4.22 0.00 3.37 3.34 0.00 5.87 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 0.00 114 R 7.78 3.92 0.00 1.88 2.03 0.00 3.15 0.00 0.00 3.10 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 115 L 8.22 4.04 0.00 1.74 1.86 0.95 0.76 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 0.00 116 E 8.15 3.91 0.00 2.22 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 2.35 2.31 0.00 117 E 8.26 3.93 0.00 2.22 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 0.00 2.55 2.50 0.00 118 L 7.54 4.17 0.00 1.78 1.73 0.99 0.75 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 8.54 3.97 0.00 2.06 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 2.33 2.42 0.00 120 A 8.41 4.31 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.28 4.12 0.00 1.90 1.76 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 122 F 8.51 4.61 0.00 3.03 3.28 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 0.00 123 A 7.06 3.94 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 0.00 124 S 7.50 4.50 0.00 3.77 3.61 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 0.00 125 P 0.00 4.48 0.00 2.24 2.25 0.00 3.72 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.96 0.00 126 E 7.91 4.19 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 2.27 0.00 127 I 7.19 3.95 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 1.26 0.60 0.89 0.00 0.00 128 E 8.03 4.08 0.00 1.98 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 2.33 0.00 129 E 7.38 4.51 0.00 2.06 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 2.26 2.25 0.00 130 R 8.77 3.94 0.00 1.98 2.00 0.00 3.38 0.00 0.00 3.28 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 131 P 0.00 4.52 0.00 2.26 2.18 0.00 3.70 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 2.07 2.02 0.00 132 K 8.57 3.96 0.00 1.84 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.51 1.54 7.81 133 K 8.04 3.89 0.00 1.80 1.85 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.49 7.81 134 E 8.08 4.05 0.00 1.99 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 2.40 2.34 0.00 135 Q 8.15 4.16 0.00 2.26 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.72 0.00 0.00 0.00 0.00 0.00 2.40 2.64 0.00 136 V 7.73 3.67 2.26 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 1.05 0.00 0.00 1.02 0.00 0.00 137 R 7.98 3.89 0.00 2.17 1.89 0.00 3.34 0.00 0.00 3.19 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 138 L 8.70 3.99 0.00 1.70 1.72 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 139 K 7.72 3.90 0.00 2.16 1.94 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.55 1.69 7.81 140 H 8.54 4.13 0.00 3.46 3.43 0.00 5.80 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 E 9.22 3.97 0.00 2.04 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 2.32 2.35 0.00 142 L 8.16 4.13 0.00 1.78 1.79 0.86 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 143 E 7.75 3.99 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.47 0.00 144 R 7.71 3.84 0.00 2.09 2.10 0.00 2.84 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.72 0.00 145 L 7.43 3.91 0.00 2.07 1.85 0.99 0.56 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 8.98 4.01 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 147 K 8.07 3.91 0.00 1.71 1.44 0.00 1.54 0.00 0.00 1.15 0.00 0.00 2.68 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.54 1.13 7.81 148 Y 7.46 4.76 0.00 2.89 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 L 7.63 4.61 0.00 1.73 1.96 0.99 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 150 S 8.15 4.30 0.00 3.84 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 0.00 151 G 7.63 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 F 8.51 4.90 0.00 2.88 2.90 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 0.00 153 R 7.34 4.40 0.00 1.79 1.73 0.00 3.28 0.00 0.00 3.24 7.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.98 0.00 154 L 7.21 2.80 0.00 1.73 1.84 1.08 1.00 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 0.00 155 L 8.33 4.44 0.00 1.64 1.63 0.94 0.88 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 0.00 156 K 8.40 4.54 0.00 1.79 1.83 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.43 7.81 157 R 7.50 4.72 0.00 1.78 1.77 0.00 3.27 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.68 0.00 158 L 8.25 3.60 0.00 1.55 1.44 0.90 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 159 P 0.00 4.53 0.00 2.10 2.06 0.00 3.58 0.00 0.00 3.40 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 8.00 4.59 0.00 2.61 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 0.00 161 A 7.33 4.75 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 0.00 162 I 8.05 4.69 1.94 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 1.14 0.52 0.97 0.00 0.00 163 F 8.45 5.93 0.00 2.35 1.71 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 0.00 164 V 8.12 4.79 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 1.05 0.00 0.00 0.87 0.00 0.00 165 V 8.40 3.93 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.89 0.00 0.00 166 D 9.34 4.45 0.00 2.92 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 P 0.00 4.16 0.00 2.28 2.29 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 2.07 2.07 0.00 168 T 7.34 3.89 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 1.21 0.00 0.00 169 K 7.84 4.13 0.00 1.93 1.96 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.62 7.81 170 E 8.30 4.54 0.00 1.86 1.56 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 2.11 2.19 0.00 171 A 8.05 3.90 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 0.00 172 I 7.66 3.56 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.42 1.14 0.00 0.00 173 A 7.42 2.58 -0.19 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 0.00 174 V 7.20 3.34 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 0.81 0.00 0.00 175 R 8.72 3.75 0.00 1.94 2.04 0.00 3.19 0.00 0.00 3.15 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 176 E 8.70 3.98 0.00 2.52 2.22 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 2.50 2.68 0.00 177 A 8.24 4.00 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 0.00 178 R 8.30 3.94 0.00 1.91 1.97 0.00 3.11 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 179 K 7.98 3.76 0.00 1.70 1.87 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.36 7.81 180 L 7.40 4.51 0.00 1.80 1.71 1.05 0.87 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 7.20 3.73 0.00 3.27 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 0.00 182 I 8.16 4.40 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.57 0.96 0.00 0.00 183 P 0.00 4.37 0.00 2.51 2.27 0.00 3.88 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.29 0.00 184 V 8.70 4.77 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 0.97 0.00 0.00 185 I 8.44 5.22 1.64 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.89 1.05 0.00 0.00 186 A 8.82 5.15 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 0.00 187 L 9.88 5.39 0.00 1.81 1.78 1.05 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 188 A 8.58 4.94 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 0.00 189 D 8.08 4.78 0.00 2.82 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 0.00 190 T 8.14 2.49 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 191 D 7.04 4.71 0.00 2.75 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 7.24 4.53 0.00 3.77 3.69 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 0.00 193 D 8.38 4.84 0.00 2.75 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 0.00 194 P 0.00 4.03 0.00 2.18 2.14 0.00 3.74 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.80 0.00 195 D 6.88 3.71 0.00 2.70 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 7.51 4.31 0.00 1.70 1.72 1.12 0.50 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 0.00 197 V 7.89 4.34 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 0.86 0.00 0.00 1.02 0.00 0.00 198 D 8.62 4.13 0.00 2.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 Y 8.67 4.29 0.00 2.80 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 8.14 4.47 1.96 0.00 0.00 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 1.41 0.50 1.14 0.00 0.00 201 I 9.30 4.39 2.16 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 1.23 1.00 1.05 0.00 0.00 202 P 0.00 5.24 0.00 2.18 2.05 0.00 3.86 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.55 0.00 203 G 9.38 4.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 N 7.34 3.73 0.00 2.73 2.73 0.00 0.00 6.87 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 8.19 4.89 0.00 2.77 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 0.00 206 D 7.79 4.58 0.00 2.79 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 0.00 207 A 7.97 4.06 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 0.00 208 I 8.52 3.72 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 1.72 0.64 0.86 0.00 0.00 209 R 8.08 3.89 0.00 1.79 1.94 0.00 3.26 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.63 0.00 210 S 8.13 4.28 0.00 4.02 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 0.00 211 I 7.79 3.67 1.97 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 1.51 0.62 0.88 0.00 0.00 212 Q 8.36 3.90 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.68 0.00 0.00 0.00 0.00 0.00 2.28 2.38 0.00 213 L 7.75 4.03 0.00 1.76 1.80 0.71 0.99 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 0.00 214 I 8.12 3.93 2.00 0.00 0.00 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 1.65 1.04 1.19 0.00 0.00 215 L 8.27 4.46 0.00 2.01 1.79 1.08 0.60 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 9.15 4.98 0.00 4.06 3.93 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 0.00 217 R 8.20 3.88 0.00 1.87 1.83 0.00 3.27 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 1.79 1.77 0.00 218 A 7.84 4.56 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 0.00 0.00 0.00 0.00 0.00 219 V 8.08 3.61 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 1.10 0.00 0.00 0.93 0.00 0.00 220 D 8.22 4.35 0.00 2.78 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 0.00 221 L 7.79 3.51 0.00 1.83 2.01 0.99 0.97 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 0.00 222 I 7.67 4.08 2.12 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.08 0.96 0.00 0.00 223 I 7.91 4.05 1.98 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.17 0.90 0.00 0.00 224 Q 8.74 3.99 0.00 1.93 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.29 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 225 A 6.77 4.58 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 0.00 226 R 7.83 4.36 0.00 1.75 2.07 0.00 3.24 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.42 0.00 227 G 7.55 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 0.00 0.00 0.00 228 G 8.71 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 V 7.83 3.65 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 0.82 0.00 0.00 0.92 0.00 0.00 230 V 7.90 4.50 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 0.87 0.00 0.00 0.92 0.00 0.00 231 E 8.54 4.32 0.00 2.07 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 2.25 2.32 0.00 232 P 0.00 4.40 0.00 2.10 2.10 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 8.07 4.62 0.00 3.93 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 0.00 234 P 0.00 4.30 0.00 2.20 2.18 0.00 3.73 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 1.97 1.95 0.00 235 S 8.72 4.43 0.00 3.68 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 0.00 236 Y 7.86 4.50 0.00 2.91 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 237 A 8.16 4.57 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 0.00 238 L 7.65 4.50 0.00 1.72 1.70 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 239 V 8.00 3.80 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 0.63 0.00 0.00 0.74 0.00 0.00 240 Q 8.11 3.59 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.42 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 *241 E 7.98 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.