NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 P 4.3265 0.0000 0.0000 61.8643 32.7016 175.0343 17 R 3.7294 8.2316 118.9221 57.3397 30.0592 173.5963 18 G 4.1538 8.9298 114.2642 45.3021 0.0000 172.8943 19 S 4.9523 7.5015 112.6484 56.6270 65.4590 173.6469 20 T 4.4370 8.9463 108.5610 61.1519 70.3135 173.2943 21 Y 5.0590 7.9094 118.2117 55.8745 42.6377 174.1575 22 K 5.0910 8.8004 121.2068 54.7091 35.1811 174.9401 23 L 4.9669 9.3980 128.9619 53.5994 45.6663 174.8442 24 T 5.0716 8.6149 121.7487 61.8237 71.2252 173.2971 25 L 5.2368 9.0141 125.6920 53.0576 45.4859 175.4309 26 I 4.9030 8.6691 122.1413 59.5788 41.7390 174.0093 27 R 5.2857 8.8085 125.2709 54.0289 31.9866 175.4391 28 H 4.6247 8.4934 116.3427 55.8069 29.7101 175.5927 29 G 4.1622 8.2386 106.4623 45.4672 0.0000 172.6110 30 E 4.5861 9.2061 119.3194 56.6550 30.7951 177.3143 31 S 5.1078 9.1669 118.5653 56.9792 65.1023 174.9751 32 E 4.0848 9.1139 119.3781 59.1289 28.9350 179.4531 33 W 4.5854 8.2028 118.1660 58.7252 29.3301 178.1995 34 N 4.3002 8.1174 116.5797 56.2765 37.8117 176.9314 35 K 3.8747 7.6172 119.2434 59.5370 32.3492 177.6930 36 E 4.1929 7.7977 114.9063 55.2107 30.2345 175.6251 37 N 4.0636 7.9287 116.9222 54.8501 37.9526 173.7970 38 R 4.5448 7.8215 114.9036 53.7751 33.0216 176.7458 39 F 4.1575 8.2148 120.2524 58.2268 39.5311 175.4095 40 T 4.6630 8.6475 121.7559 65.1731 70.9872 176.6498 41 G 4.4843 7.5416 108.3571 47.1512 0.0000 175.4134 42 W 4.5068 9.7442 125.4139 57.0220 29.1784 176.5564 43 T 3.8197 7.7088 116.4063 64.3174 68.5049 174.7541 44 D 4.4623 8.2262 127.8682 53.0265 39.7337 175.5744 45 V 3.8773 6.8120 114.6084 60.0297 33.6835 176.8994 46 S 4.3953 8.1650 118.1303 57.8455 64.3015 173.9635 47 L 4.4164 8.2867 122.1471 55.0040 42.4482 177.4223 48 S 4.7910 8.6811 116.5539 56.7243 64.6075 175.1369 49 E 4.0039 8.6281 119.2238 59.4088 28.8772 179.3608 50 Q 4.0747 8.1261 119.4980 59.1364 29.2027 178.3572 51 G 3.6150 8.0150 106.7871 47.6745 0.0000 175.8135 52 V 3.5830 7.8549 120.5714 65.9101 31.5894 178.0627 53 S 4.1248 8.1723 112.8229 61.4805 62.1607 175.9834 54 E 3.9772 8.6466 121.4740 59.2513 29.1207 179.0884 55 A 4.0053 8.0483 120.8668 55.2310 18.4370 179.7122 56 I 3.6507 7.7841 118.2196 64.4820 37.1571 178.1949 57 E 3.9194 8.3311 119.8456 59.2096 29.4266 178.6404 58 A 4.0841 8.2633 120.9325 55.1043 18.3805 179.6712 59 G 3.6676 8.2543 104.2331 48.2787 0.0000 175.9629 60 R 3.9511 8.1173 121.0761 58.9155 30.0418 178.8692 61 M 4.0397 8.2730 117.9563 58.7291 32.3317 178.1788 62 L 3.9076 8.0460 119.1581 57.8170 41.6978 179.3631 63 L 4.0245 8.3032 120.4687 58.1509 41.8050 178.6394 64 E 4.0231 8.2222 118.4017 58.8557 29.6877 178.0507 65 K 4.4784 8.0410 115.8488 55.9636 32.5711 176.8975 66 G 3.7903 7.9081 107.1041 46.4636 0.0000 173.7822 67 F 4.2253 8.1664 117.6680 55.9300 40.0766 175.8015 68 K 4.3453 7.7744 124.1539 54.8548 35.0875 175.1599 69 F 5.2566 9.1816 124.9509 56.1566 41.2255 175.2005 70 D 4.9525 9.1583 123.2718 55.6034 42.2221 177.2112 71 V 4.6026 7.5917 116.0466 60.3783 34.8096 173.0078 72 V 4.7300 8.3898 122.5045 61.3781 34.4311 173.5720 73 Y 5.1109 8.8093 125.6885 56.9501 40.0418 174.7970 74 T 5.5526 9.1758 117.9779 59.3878 72.0551 172.3440 75 S 5.3836 8.2192 117.4166 56.8070 65.2950 174.5572 76 V 4.0169 7.9400 112.6581 61.5795 31.6796 176.3691 77 L 4.5331 7.5754 122.4669 53.0286 43.2409 177.4924 78 K 3.6633 9.0361 125.0447 60.1277 32.2617 179.4861 79 R 3.7367 7.7581 116.4645 58.9345 29.2995 178.5775 80 A 3.9332 7.6830 120.8989 54.6557 18.6514 179.4872 81 I 3.3399 7.3580 118.1865 64.6334 37.1265 178.3889 82 M 3.6561 8.0668 119.2609 58.6040 31.8825 178.3190 83 T 3.8471 7.5845 115.5130 66.8578 68.6098 176.5665 84 T 3.8841 7.9193 117.5392 66.5917 68.5238 176.7288 85 W 4.3863 8.2478 120.7142 60.0531 29.0498 178.7792 86 T 3.9348 8.2382 115.7012 66.6972 67.9479 176.7597 87 V 3.6394 8.1370 120.4182 66.2031 31.4867 178.0970 88 L 4.1010 8.2512 118.6857 57.4512 41.4732 179.2219 89 K 3.8889 8.2627 119.6941 59.8511 31.9523 178.7766 90 E 4.0757 8.0134 117.1246 59.1010 29.4503 178.6623 91 L 4.2985 8.0802 117.1382 54.3873 42.3781 176.7519 92 G 4.0502 7.9352 107.1485 46.8611 0.0000 173.1788 93 N 5.0901 8.5562 112.7544 52.8469 40.0760 176.0334 94 I 3.7623 8.1346 119.6092 63.9086 37.2722 177.2748 95 N 4.4291 8.0125 115.8539 54.9930 38.7104 174.6716 96 C 4.2133 7.8728 119.8946 58.7882 32.1838 171.7362 97 P 4.3741 0.0000 0.0000 63.2221 32.1801 175.0864 98 I 4.9377 8.3401 123.8974 59.4921 40.0637 174.8206 99 I 4.4876 8.5648 127.8050 59.5905 39.6066 174.4536 100 N 5.2059 8.8397 124.9699 52.8593 40.0245 174.3511 101 H 4.7641 9.1302 122.3983 54.1766 33.3006 174.3467 102 W 4.2986 8.8307 122.1562 59.5039 27.9985 178.2876 103 R 3.0669 6.6987 116.5306 57.9431 29.3676 176.9834 104 L 4.3554 7.1593 115.6093 54.2799 42.1475 176.4663 105 N 4.1974 7.6729 117.1714 52.8291 38.9453 174.4914 106 E 4.0727 8.0524 120.8696 56.0720 30.5140 176.8033 107 R 4.2774 8.7517 123.4668 57.0294 30.3114 175.2733 108 H 4.6271 9.1286 124.4388 56.5905 30.6682 175.0002 109 Y 4.3025 8.9223 122.4821 56.8582 39.4006 176.4625 110 G 3.5922 7.8589 109.6524 46.7868 0.0000 176.4473 111 A 4.2948 8.8351 126.9242 53.4777 18.6244 178.5171 112 L 4.2794 7.6473 115.7922 56.2748 42.0992 177.2736 113 Q 4.5429 7.6363 118.2348 57.7208 28.8422 176.9753 114 G 3.6645 9.8755 112.5325 44.8901 0.0000 173.3235 115 L 4.6575 7.7049 120.0504 53.5924 43.2134 177.2753 116 N 5.0281 8.3377 119.7076 53.0271 40.9634 175.6040 117 K 4.4712 8.6652 119.7981 57.2739 32.0582 178.6429 118 S 4.3751 7.7923 114.6569 60.7824 63.6498 176.1454 119 E 4.0084 8.0288 121.9781 59.2809 28.8421 179.2365 120 T 4.1775 7.9933 109.4019 64.9099 68.7884 176.6485 121 A 4.1182 7.5040 122.6396 54.5914 18.3801 179.3715 122 S 4.2477 7.7188 112.9237 62.1194 62.6451 176.8496 123 K 3.9425 7.7969 125.1099 60.1133 31.8652 177.8302 124 F 5.5508 8.6782 118.1928 55.4156 42.2892 174.8635 125 G 4.3096 8.7025 106.9604 43.2518 0.0000 173.9658 126 E 4.1057 8.7147 122.1372 59.8011 29.4020 179.4597 127 D 4.2982 7.9799 122.1868 58.4018 39.9831 182.1524 128 Q 3.6894 7.6612 120.8639 59.2987 28.3764 179.5632 129 V 3.2733 6.8817 120.9050 65.3872 31.7759 181.0915 130 K 4.1098 7.4467 119.7295 59.4710 31.9813 178.9853 131 I 3.6837 7.0926 118.5737 64.2533 36.8060 178.4598 132 W 4.5133 7.7471 120.9596 60.2168 28.8441 178.7550 133 R 4.4616 7.7947 119.5756 60.0470 29.3480 181.4913 134 R 4.7152 7.6541 115.9162 56.4351 31.5279 177.2298 135 S 4.4602 7.7698 112.6931 58.0066 64.0857 173.8835 136 F 4.3940 8.8487 123.1031 59.9012 39.5791 176.5516 137 D 4.6510 8.1519 115.7358 52.5237 39.8461 175.2875 138 V 4.2231 7.5076 120.5567 60.6747 32.4966 173.4348 139 P 4.4759 0.0000 0.0000 60.8620 32.5453 174.0161 140 P 2.9700 0.0000 0.0000 61.1206 31.8836 174.6080 141 P 4.1629 0.0000 0.0000 62.3415 32.5302 176.0797 142 V 4.0573 7.9387 121.8997 62.6342 32.2846 175.7041 143 L 4.2494 8.6593 130.8189 55.1616 42.3059 177.7406 144 E 4.0093 8.8247 121.8089 55.7936 30.5573 176.5393 145 K 2.8504 8.0395 123.1779 56.7787 31.8209 178.6415 146 S 4.2699 7.7325 111.5324 60.7964 63.5762 174.3358 147 D 4.4294 7.9690 122.4642 53.4074 41.2215 175.1867 148 P 4.4216 0.0000 0.0000 65.6873 31.2941 177.6835 149 R 4.1361 8.2730 117.2304 57.8338 30.4826 176.8395 150 W 4.3607 8.3742 129.5211 56.7809 31.2175 174.9144 151 P 4.4180 0.0000 0.0000 64.6822 30.8305 178.4062 152 G 3.1687 5.3800 105.2437 47.2086 0.0000 173.9474 153 N 4.5611 7.6547 116.6696 54.7922 38.8398 175.2335 154 E 4.4335 7.8978 118.7476 54.9448 30.6373 177.6082 155 L 4.1099 8.3658 122.7276 57.5013 42.0064 179.5038 156 I 3.5569 7.4487 118.4340 63.6426 37.3104 176.1789 157 Y 4.6515 7.4161 116.3754 57.2672 38.1250 177.1965 158 K 3.7952 7.7064 121.0016 60.0763 32.2327 178.0647 159 G 4.0355 7.9281 105.6674 44.4844 0.0000 172.9923 160 I 4.0903 7.5670 120.9370 59.6247 38.0940 175.2967 161 C 3.8262 8.7949 124.1718 59.4321 31.7724 172.3768 162 P 4.1703 0.0000 0.0000 65.7798 31.0906 178.6703 163 S 4.2349 7.9882 111.0560 61.0387 63.0026 175.2722 164 C 4.0201 7.9980 118.7709 61.8998 27.8747 173.5818 165 L 3.5930 7.2226 120.0317 52.5357 40.4810 174.8540 166 P 4.2968 0.0000 0.0000 62.5842 32.1966 176.4165 167 T 4.3267 7.8498 108.7973 62.2865 70.2094 173.7009 168 T 4.2571 6.9926 114.7248 62.0721 70.0969 171.5650 169 E 4.8909 8.3739 123.5962 55.0931 33.9521 175.1093 170 C 4.3393 8.7937 118.7111 56.2786 32.0746 174.4350 171 L 3.7339 7.9667 120.2262 57.7614 41.4013 178.2278 172 K 2.9087 7.1599 119.9884 59.4582 32.0795 177.9910 173 D 4.3475 7.8612 118.2317 57.9290 40.6501 179.1841 174 T 3.8893 7.5107 115.5583 66.5853 68.3866 176.6530 175 V 3.5942 7.7602 120.1979 66.3689 31.2842 177.9749 176 E 4.0132 8.0786 116.8733 58.9926 29.3482 178.8849 177 R 4.3013 7.7983 114.3801 57.8781 30.3169 178.6306 178 V 3.7005 8.0499 119.9074 65.5309 31.4681 177.3126 179 K 3.8814 8.3740 120.1109 59.5196 31.9206 176.8353 180 P 4.4589 0.0000 0.0000 65.6608 31.2901 177.7170 181 Y 3.8107 7.8983 119.4491 60.3531 38.7442 177.1392 182 F 3.7844 8.2364 121.5940 61.2013 39.2964 176.7335 183 E 3.8400 8.2919 117.0556 59.4726 29.4798 178.5854 184 D 4.5419 7.8686 115.6565 54.3687 41.9367 176.6866 185 V 3.8707 6.7623 116.1165 64.1938 33.7829 177.5130 186 I 3.1110 6.7649 119.8546 63.7303 36.7518 178.1089 187 A 3.2540 7.3249 121.8904 54.6599 18.1104 177.9088 188 P 4.0191 0.0000 0.0000 65.6469 31.2716 178.9732 189 S 4.1066 7.4542 112.8304 61.6048 62.8048 176.7387 190 I 3.5974 7.4700 122.2786 64.8183 36.6685 178.5717 191 M 3.7997 7.7070 117.8085 57.9722 31.7783 178.5523 192 S 4.3377 7.8482 114.2442 59.6788 63.0354 175.2290 193 G 4.0679 7.9559 109.8460 44.7510 0.0000 173.8613 194 K 4.3536 7.4571 118.4953 56.3114 33.2030 176.8907 195 S 4.6352 9.6374 119.3653 57.6759 63.5947 172.8157 196 V 4.9452 8.6440 127.5865 61.0178 34.1561 173.6565 197 L 4.7267 8.3448 129.5238 53.0871 44.6248 174.9054 198 V 4.6707 8.9057 126.3381 61.4012 33.8016 174.2583 199 S 5.0600 9.1693 124.3049 56.0679 63.7620 171.2545 200 A 4.3943 8.8793 135.0000 51.6387 24.6956 176.0003 201 H 5.0442 8.8672 114.8614 54.8057 33.1643 174.1837 202 G 3.9253 8.9102 106.9556 48.8289 0.0000 175.6591 203 N 4.5378 8.7874 119.3829 55.4271 38.7013 177.8333 204 S 4.1645 8.1518 116.2587 61.8138 62.9848 176.6845 205 L 4.0696 8.3023 121.8028 57.7652 41.3444 179.7697 206 R 3.9677 8.2253 117.9468 59.0237 29.9881 178.6839 207 A 4.0717 8.3193 120.8798 55.4475 18.2945 179.6931 208 L 3.8926 7.8784 117.0336 57.9791 41.6850 179.8456 209 L 3.9594 8.1832 119.0216 57.7017 41.5361 178.8268 210 Y 4.0314 8.5718 119.9728 60.6922 38.6215 178.3573 211 L 3.8624 8.0353 119.6562 57.9782 41.8227 179.5876 212 L 3.9000 8.1681 118.5700 56.7196 41.7383 178.3329 213 E 4.2706 7.9173 116.1931 55.1157 30.4754 175.6844 214 G 3.6932 7.2153 107.0303 46.6589 0.0000 173.8981 215 M 4.6122 7.6127 116.6760 53.8534 33.2425 177.1922 216 T 4.2039 8.1648 110.4344 60.5700 69.9853 174.0403 217 P 3.5410 0.0000 0.0000 65.3051 30.8334 178.3937 218 E 4.0346 7.9458 117.9902 59.2017 29.2238 178.3131 219 Q 3.9952 7.8314 119.2086 59.1839 29.2339 177.9254 220 I 3.7167 7.6797 119.0080 63.1486 37.9306 177.6058 221 L 4.2506 7.7137 120.5279 57.7116 41.5106 178.7093 222 E 4.4507 7.5405 115.7875 57.1939 30.2130 180.5983 223 V 4.2448 7.2650 121.2215 63.3411 32.3646 175.3924 224 N 5.0672 8.7292 123.8636 50.4002 40.3763 170.3142 225 I 4.5509 8.2542 124.2033 57.8606 38.6275 174.0823 226 P 4.4186 0.0000 0.0000 62.4148 31.9630 176.2704 227 T 3.9771 8.2775 110.1891 62.6247 69.6482 173.8878 228 A 3.7395 8.5262 125.2687 53.5030 16.7106 177.7228 229 C 4.6424 7.8358 119.3260 57.6071 33.3191 171.1995 230 P 4.5314 0.0000 0.0000 62.7011 32.3807 175.1133 231 L 4.3716 9.3633 127.2017 53.1765 44.3518 175.0056 232 V 4.4459 8.2928 127.6980 61.6063 33.2131 174.3190 233 L 4.9877 9.0895 128.6275 53.0687 44.0497 175.3724 234 E 4.9549 9.0241 124.1776 55.4392 31.3666 175.4542 235 L 5.4087 8.8363 123.3582 52.7702 46.0052 176.3789 236 D 4.8943 9.1928 122.1563 54.0309 41.6207 177.3167 237 D 4.4429 8.5715 119.1412 57.6097 40.6554 177.3617 238 Y 4.4635 7.9350 113.8404 57.3452 38.2719 175.1000 239 L 3.8428 7.6668 118.4012 55.8634 39.9187 174.3637 240 K 4.7044 7.8105 116.4006 54.2929 34.2398 176.0185 241 V 4.1490 8.4538 123.6945 63.8657 31.2832 175.7593 242 T 4.4494 8.8022 119.2744 63.7709 69.7063 175.0539 243 K 4.8866 7.7571 119.8577 55.0638 36.1646 174.6526 244 K 5.0538 8.4515 119.3740 55.7917 35.7363 174.8545 245 Y 4.9296 7.9245 118.8355 56.2298 41.5019 173.6766 246 Y 4.8616 8.7096 119.0027 57.4909 38.9670 175.7554 247 L 4.4161 8.7906 123.8553 58.2182 43.2399 179.0818 248 I 3.8470 7.2966 107.0011 60.3974 35.1627 181.9441 *250 E 4.2533 8.6323 115.3579 57.4327 29.0632 174.8794 251 E 4.2564 8.0463 121.4814 56.0266 30.6581 175.4990 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 16 P 0.00 4.33 0.00 2.24 2.28 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.00 0.00 17 R 8.23 3.73 0.00 1.87 1.90 0.00 3.20 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 18 G 8.93 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 19 S 7.50 4.95 0.00 3.98 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 T 8.95 4.44 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 21 Y 7.91 5.06 0.00 2.92 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 8.80 5.09 0.00 1.79 1.74 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.48 7.81 23 L 9.40 4.97 0.00 1.80 1.50 1.06 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.61 5.07 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 1.21 0.00 0.00 25 L 9.01 5.24 0.00 1.47 1.50 0.89 0.52 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 26 I 8.67 4.90 1.84 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 1.28 1.59 0.91 0.00 0.00 27 R 8.81 5.29 0.00 1.85 2.02 0.00 3.20 0.00 0.00 3.50 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.38 0.00 28 H 8.49 4.62 0.00 3.11 3.31 0.00 5.71 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.24 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 30 E 9.21 4.59 0.00 2.07 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 2.30 2.28 0.00 31 S 9.17 5.11 0.00 4.04 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 32 E 9.11 4.08 0.00 2.03 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 2.46 2.51 0.00 33 W 8.20 4.59 0.00 3.34 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 34 N 8.12 4.30 0.00 3.03 2.89 0.00 0.00 6.46 7.75 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 35 K 7.62 3.87 0.00 1.74 2.03 0.00 2.02 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.51 7.81 36 E 7.80 4.19 0.00 1.78 1.80 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 2.31 2.62 0.00 37 N 7.93 4.06 0.00 2.70 2.70 0.00 0.00 6.96 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 7.82 4.54 0.00 1.26 1.24 0.00 2.21 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.37 0.00 39 F 8.21 4.16 0.00 3.38 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 T 8.65 4.66 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 1.20 0.00 0.00 41 G 7.54 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 0.00 0.00 0.00 0.00 42 W 9.74 4.51 0.00 3.12 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 43 T 7.71 3.82 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 0.79 0.00 0.00 44 D 8.23 4.46 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 V 6.81 3.88 1.55 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 -0.73 0.00 0.00 0.68 0.00 0.00 46 S 8.17 4.40 0.00 3.71 3.70 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 47 L 8.29 4.42 0.00 1.48 1.58 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 48 S 8.68 4.79 0.00 4.01 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.63 4.00 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 50 Q 8.13 4.07 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 51 G 8.01 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 0.00 0.00 0.00 52 V 7.85 3.58 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 1.00 0.00 0.00 1.00 0.00 0.00 53 S 8.17 4.12 0.00 3.95 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 54 E 8.65 3.98 0.00 2.19 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 2.33 2.45 0.00 55 A 8.05 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.78 3.65 2.07 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 1.43 0.87 0.93 0.00 0.00 57 E 8.33 3.92 0.00 2.21 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 2.35 0.00 58 A 8.26 4.08 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 0.00 0.00 59 G 8.25 3.67 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 0.00 0.00 0.00 60 R 8.12 3.95 0.00 2.05 2.02 0.00 3.15 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.83 0.00 61 M 8.27 4.04 0.00 2.29 2.08 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 2.61 2.64 0.00 62 L 8.05 3.91 0.00 1.96 1.73 1.02 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 63 L 8.30 4.02 0.00 1.78 1.87 0.98 1.18 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 64 E 8.22 4.02 0.00 2.18 2.20 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 2.36 2.38 0.00 65 K 8.04 4.48 0.00 2.16 2.25 0.00 1.96 0.00 0.00 1.81 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.75 7.81 66 G 7.91 3.79 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 0.00 0.00 0.00 67 F 8.17 4.23 0.00 3.02 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 K 7.77 4.35 0.00 1.52 1.49 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.47 7.81 69 F 9.18 5.26 0.00 3.10 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 70 D 9.16 4.95 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.59 4.60 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 0.64 0.00 0.00 0.44 0.00 0.00 72 V 8.39 4.73 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 0.98 0.00 0.00 0.86 0.00 0.00 73 Y 8.81 5.11 0.00 3.08 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 74 T 9.18 5.55 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 1.25 0.00 0.00 75 S 8.22 5.38 0.00 4.09 3.95 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 76 V 7.94 4.02 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 0.69 0.00 0.00 0.91 0.00 0.00 77 L 7.58 4.53 0.00 1.65 1.47 0.61 0.60 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 78 K 9.04 3.66 0.00 1.73 1.90 0.00 1.18 0.00 0.00 1.56 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.48 1.30 7.81 79 R 7.76 3.74 0.00 1.80 2.22 0.00 2.71 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.25 0.00 80 A 7.68 3.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 I 7.36 3.34 1.40 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.76 0.04 0.00 0.00 82 M 8.07 3.66 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 83 T 7.58 3.85 4.35 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 1.20 0.00 0.00 84 T 7.92 3.88 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 85 W 8.25 4.39 0.00 3.53 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 86 T 8.24 3.93 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 87 V 8.14 3.64 2.32 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 1.13 0.00 0.00 1.02 0.00 0.00 88 L 8.25 4.10 0.00 1.97 1.76 1.00 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 89 K 8.26 3.89 0.00 1.91 2.09 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.51 7.81 90 E 8.01 4.08 0.00 2.19 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 2.54 2.72 0.00 91 L 8.08 4.30 0.00 1.95 1.77 1.11 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 92 G 7.94 4.05 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 0.00 0.00 0.00 93 N 8.56 5.09 0.00 2.72 2.78 0.00 0.00 7.28 7.56 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 94 I 8.13 3.76 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 0.65 0.82 0.00 0.00 95 N 8.01 4.43 0.00 2.69 2.86 0.00 0.00 6.85 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.87 4.21 0.00 3.13 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 97 P 0.00 4.37 0.00 2.04 1.93 0.00 3.80 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 2.09 2.11 0.00 98 I 8.34 4.94 1.97 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 1.42 0.85 1.01 0.00 0.00 99 I 8.56 4.49 1.74 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 1.22 0.65 1.15 0.00 0.00 100 N 8.84 5.21 0.00 2.61 2.86 0.00 0.00 6.87 8.16 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 0.00 101 H 9.13 4.76 0.00 3.00 2.25 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 W 8.83 4.30 0.00 3.33 3.34 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 0.00 103 R 6.70 3.07 0.00 0.68 1.46 0.00 2.86 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 104 L 7.16 4.36 0.00 1.62 1.65 1.08 1.07 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 0.00 105 N 7.67 4.20 0.00 2.32 1.89 0.00 0.00 6.84 8.21 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 0.00 106 E 8.05 4.07 0.00 1.70 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 2.44 2.65 0.00 107 R 8.75 4.28 0.00 1.93 1.94 0.00 3.01 0.00 0.00 3.13 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.51 0.00 108 H 9.13 4.63 0.00 2.72 2.87 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Y 8.92 4.30 0.00 3.05 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 0.00 110 G 7.86 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 A 8.84 4.29 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 0.00 112 L 7.65 4.28 0.00 1.76 1.31 0.50 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 113 Q 7.64 4.54 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.42 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 114 G 9.88 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 0.00 0.00 0.00 115 L 7.70 4.66 0.00 2.21 1.76 1.10 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 0.00 116 N 8.34 5.03 0.00 2.73 2.78 0.00 0.00 6.87 7.91 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 0.00 117 K 8.67 4.47 0.00 1.79 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.44 7.81 118 S 7.79 4.38 0.00 4.03 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 0.00 119 E 8.03 4.01 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 120 T 7.99 4.18 4.62 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 1.68 0.00 0.00 121 A 7.50 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 S 7.72 4.25 0.00 3.96 4.05 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 0.00 123 K 7.80 3.94 0.00 1.92 1.71 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.39 1.35 7.81 124 F 8.68 5.55 0.00 3.26 3.33 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 0.00 125 G 8.70 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 0.00 0.00 0.00 0.00 126 E 8.71 4.11 0.00 2.19 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 2.34 2.34 0.00 127 D 7.98 4.30 0.00 2.71 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 0.00 128 Q 7.66 3.69 0.00 1.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.92 6.88 0.00 0.00 0.00 0.00 0.00 2.11 1.16 0.00 129 V 6.88 3.27 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 0.77 0.00 0.00 0.93 0.00 0.00 130 K 7.45 4.11 0.00 1.89 1.91 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.49 7.81 131 I 7.09 3.68 1.73 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 1.45 0.45 0.90 0.00 0.00 132 W 7.75 4.51 0.00 3.40 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 R 7.79 4.46 0.00 1.85 1.83 0.00 3.24 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.53 0.00 134 R 7.65 4.72 0.00 1.92 2.04 0.00 3.15 0.00 0.00 3.31 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 135 S 7.77 4.46 0.00 4.00 3.95 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 0.00 136 F 8.85 4.39 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 0.00 137 D 8.15 4.65 0.00 2.78 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 0.00 138 V 7.51 4.22 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 0.95 0.00 0.00 0.96 0.00 0.00 139 P 0.00 4.48 0.00 2.00 1.93 0.00 3.80 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 1.84 1.87 0.00 140 P 0.00 2.97 0.00 1.63 1.27 0.00 3.43 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 141 P 0.00 4.16 0.00 1.79 1.77 0.00 2.21 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.34 0.00 142 V 7.94 4.06 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 0.64 0.00 0.00 0.80 0.00 0.00 143 L 8.66 4.25 0.00 1.60 1.65 1.06 1.08 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 0.00 144 E 8.82 4.01 0.00 1.89 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 2.31 1.87 0.00 145 K 8.04 2.85 0.00 1.77 1.76 0.00 1.78 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.00 7.81 146 S 7.73 4.27 0.00 3.95 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 7.97 4.43 0.00 2.76 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 P 0.00 4.42 0.00 2.28 2.24 0.00 3.87 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 2.06 2.05 0.00 149 R 8.27 4.14 0.00 2.06 2.15 0.00 3.31 0.00 0.00 3.28 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.73 0.00 150 W 8.37 4.36 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 0.00 151 P 0.00 4.42 0.00 1.33 1.67 0.00 3.51 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.79 0.00 152 G 5.38 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 0.00 0.00 0.00 153 N 7.65 4.56 0.00 2.88 2.93 0.00 0.00 6.95 7.27 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 0.00 154 E 7.90 4.43 0.00 2.36 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 2.29 2.31 0.00 155 L 8.37 4.11 0.00 1.64 1.66 0.90 0.85 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 0.00 156 I 7.45 3.56 1.13 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.14 0.49 0.00 0.00 157 Y 7.42 4.65 0.00 3.03 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 K 7.71 3.80 0.00 1.82 2.04 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.43 7.81 159 G 7.93 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 I 7.57 4.09 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.53 0.00 0.00 161 C 8.79 3.83 0.00 2.99 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 0.00 162 P 0.00 4.17 0.00 2.24 2.17 0.00 3.66 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 163 S 7.99 4.23 0.00 3.98 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 0.00 164 C 8.00 4.02 0.00 2.44 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 0.00 0.00 0.00 165 L 7.22 3.59 0.00 1.09 0.76 0.45 0.38 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 0.00 166 P 0.00 4.30 0.00 1.80 1.75 0.00 2.20 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.62 0.00 167 T 7.85 4.33 4.35 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 1.17 0.00 0.00 168 T 6.99 4.26 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 1.03 0.00 0.00 169 E 8.37 4.89 0.00 2.01 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 2.14 2.08 0.00 170 C 8.79 4.34 0.00 3.02 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 0.00 171 L 7.97 3.73 0.00 1.64 1.32 0.90 0.70 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 0.00 172 K 7.16 2.91 0.00 1.01 1.41 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.45 1.48 7.81 173 D 7.86 4.35 0.00 2.79 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 0.00 174 T 7.51 3.89 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 1.32 0.00 0.00 175 V 7.76 3.59 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 1.27 0.00 0.00 0.75 0.00 0.00 176 E 8.08 4.01 0.00 2.13 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 2.39 2.57 0.00 177 R 7.80 4.30 0.00 2.09 2.24 0.00 3.17 0.00 0.00 3.30 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.09 0.00 178 V 8.05 3.70 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 1.04 0.00 0.00 0.99 0.00 0.00 179 K 8.37 3.88 0.00 2.04 1.89 0.00 1.77 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.66 1.57 7.81 180 P 0.00 4.46 0.00 2.33 2.33 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.07 0.00 181 Y 7.90 3.81 0.00 2.85 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 0.00 182 F 8.24 3.78 0.00 3.18 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 0.00 183 E 8.29 3.84 0.00 2.08 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 2.45 2.66 0.00 184 D 7.87 4.54 0.00 2.60 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 185 V 6.76 3.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.54 0.00 0.00 186 I 6.76 3.11 1.35 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 0.23 -0.36 0.78 0.00 0.00 187 A 7.32 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 P 0.00 4.02 0.00 2.02 1.99 0.00 3.31 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.00 0.00 189 S 7.45 4.11 0.00 4.14 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 0.00 190 I 7.47 3.60 1.70 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 1.51 0.95 0.42 0.00 0.00 191 M 7.71 3.80 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.25 0.00 192 S 7.85 4.34 0.00 4.02 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 G 7.96 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 K 7.46 4.35 0.00 1.86 1.82 0.00 1.72 0.00 0.00 1.65 0.00 0.00 2.70 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.41 7.81 195 S 9.64 4.64 0.00 3.92 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 196 V 8.64 4.95 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 1.12 0.00 0.00 1.10 0.00 0.00 197 L 8.34 4.73 0.00 0.27 0.73 0.65 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 198 V 8.91 4.67 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 1.04 0.00 0.00 1.03 0.00 0.00 199 S 9.17 5.06 0.00 3.81 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 0.00 200 A 8.88 4.39 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 H 8.87 5.04 0.00 3.18 3.36 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 G 8.91 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 0.00 0.00 0.00 203 N 8.79 4.54 0.00 3.12 2.94 0.00 0.00 7.13 7.19 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 0.00 204 S 8.15 4.16 0.00 4.08 3.95 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 0.00 205 L 8.30 4.07 0.00 1.76 1.74 0.98 1.15 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 0.00 206 R 8.23 3.97 0.00 2.00 2.07 0.00 3.22 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 207 A 8.32 4.07 1.44 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 0.00 208 L 7.88 3.89 0.00 1.92 1.65 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 209 L 8.18 3.96 0.00 1.91 1.74 0.96 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 210 Y 8.57 4.03 0.00 3.15 3.26 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 0.00 211 L 8.04 3.86 0.00 1.78 1.60 0.98 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 212 L 8.17 3.90 0.00 1.53 1.55 0.60 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 213 E 7.92 4.27 0.00 2.03 1.92 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 2.22 2.26 0.00 214 G 7.22 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 0.00 215 M 7.61 4.61 0.00 2.02 1.88 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 216 T 8.16 4.20 4.18 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 1.16 0.00 0.00 217 P 0.00 3.54 0.00 1.60 0.49 0.00 3.55 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.68 0.00 218 E 7.95 4.03 0.00 2.09 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 2.37 1.93 0.00 219 Q 7.83 4.00 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 220 I 7.68 3.72 2.13 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 1.71 1.20 1.12 0.00 0.00 221 L 7.71 4.25 0.00 1.89 1.78 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 222 E 7.54 4.45 0.00 2.00 1.84 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 2.22 2.17 0.00 223 V 7.27 4.24 2.30 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 0.96 0.00 0.00 1.01 0.00 0.00 224 N 8.73 5.07 0.00 2.74 2.54 0.00 0.00 6.80 7.72 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 0.00 225 I 8.25 4.55 1.94 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 1.47 1.04 1.03 0.00 0.00 226 P 0.00 4.42 0.00 2.03 1.88 0.00 3.75 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.26 0.00 227 T 8.28 3.98 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 1.20 0.00 0.00 228 A 8.53 3.74 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 0.00 229 C 7.84 4.64 0.00 3.01 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 230 P 0.00 4.53 0.00 2.03 1.87 0.00 3.65 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 2.06 2.07 0.00 231 L 9.36 4.37 0.00 1.41 1.52 0.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 232 V 8.29 4.45 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 0.60 0.00 0.00 1.05 0.00 0.00 233 L 9.09 4.99 0.00 1.55 1.50 0.85 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 234 E 9.02 4.95 0.00 1.96 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 2.37 2.34 0.00 235 L 8.84 5.41 0.00 1.77 1.68 1.04 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 236 D 9.19 4.89 0.00 3.01 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 0.00 237 D 8.57 4.44 0.00 2.31 2.34 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 0.00 238 Y 7.94 4.46 0.00 3.02 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 0.00 239 L 7.67 3.84 0.00 2.00 2.04 0.88 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 240 K 7.81 4.70 0.00 2.04 1.70 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.33 7.81 241 V 8.45 4.15 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 0.79 0.00 0.00 0.88 0.00 0.00 242 T 8.80 4.45 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 1.32 0.00 0.00 243 K 7.76 4.89 0.00 1.88 1.95 0.00 1.57 0.00 0.00 1.96 0.00 0.00 3.45 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.67 1.65 7.81 244 K 8.45 5.05 0.00 1.51 1.65 0.00 1.49 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.27 1.39 7.81 245 Y 7.92 4.93 0.00 3.12 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 0.00 246 Y 8.71 4.86 0.00 2.96 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 0.00 247 L 8.79 4.42 0.00 1.66 1.80 0.67 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 248 I 7.30 3.85 1.87 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 1.30 0.61 0.91 0.00 0.00 *250 E 8.63 4.25 0.00 1.97 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 2.20 2.37 0.00 251 E 8.05 4.26 0.00 1.93 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 2.20 2.29 0.00 * Residues marked with a * may have inaccurate shift predictions.