NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 M 4.5073 8.3049 120.3334 54.5646 32.6657 175.0813 3 P 4.2987 0.0000 0.0000 64.0522 31.7684 171.0939 4 V 4.8919 7.9606 118.5496 61.1351 35.1119 173.9177 5 E 4.5777 8.6467 126.0739 54.8425 32.6049 173.8664 6 Q 5.1207 8.7029 126.5495 54.6487 31.1003 174.4907 7 N 5.1376 9.0351 121.9907 51.4315 42.8779 172.6186 8 P 4.8597 0.0000 0.0000 61.5287 32.9017 174.1151 9 P 4.5497 0.0000 0.0000 65.2172 32.4319 175.9723 10 A 5.0222 7.5446 117.9707 51.1847 21.6303 175.4483 11 L 4.7739 8.8206 120.6572 54.3673 44.4413 175.2154 12 S 5.1618 8.2854 114.3695 57.3430 65.0739 172.2752 13 L 4.4754 7.7906 121.0136 54.6532 46.8119 172.8444 14 Y 5.3538 8.3121 117.0183 54.7286 41.8504 175.4023 15 E 4.1406 8.9620 119.1599 58.0458 30.4089 179.6518 16 G 4.1949 9.0980 112.7894 46.1992 0.0000 174.3353 17 A 4.5195 8.3299 121.1090 52.0345 19.6156 176.9177 18 D 5.0652 8.1512 119.6792 53.0791 43.7637 175.2359 19 S 4.4568 7.7270 112.3493 58.0679 66.5251 174.9144 20 G 4.4921 8.6680 109.5744 44.2562 0.0000 172.0927 21 L 5.0191 8.4490 119.3814 52.8613 45.3075 176.5828 22 R 4.6438 9.1311 123.7917 56.0241 32.2783 175.5602 23 C 5.7720 8.7621 122.0506 55.1891 42.4038 171.7228 24 N 5.0896 8.4552 123.6375 51.6571 40.2683 174.6032 25 F 5.7891 8.3358 121.6407 55.4036 41.5504 175.6261 26 S 4.5215 8.9176 113.9699 60.1572 64.2149 173.5089 27 T 4.8148 7.6279 113.4668 60.4223 69.8674 171.5754 28 T 4.3919 8.4779 117.4050 63.0969 69.2369 173.9247 29 M 4.5184 8.3820 126.0057 53.6540 34.2777 175.7978 *37 K 4.4890 8.5775 122.6237 55.8040 34.2874 176.0583 38 S 4.6979 7.4509 112.2055 56.3865 66.7465 172.8554 39 V 4.3423 7.2135 121.2739 60.3239 34.7351 174.4651 40 Q 4.8269 8.2664 121.4050 54.9942 32.8249 172.7468 41 W 5.0968 9.1972 127.2317 55.3784 31.4766 175.5499 42 F 5.6447 10.1415 123.4416 56.1617 43.0140 174.1632 43 Q 4.4927 8.6313 116.6021 55.7543 31.4068 173.4603 44 Q 4.6121 8.8162 127.2663 55.0993 30.0528 175.9737 45 N 4.6773 8.3241 126.0028 52.7912 38.8680 174.9795 46 H 4.4698 8.5999 113.7474 59.1658 29.2476 177.1007 47 R 3.9639 8.0296 117.8933 59.7069 29.9699 177.3381 48 G 4.1560 7.4178 105.6292 45.1674 0.0000 172.8018 49 R 4.5410 8.8978 120.9918 54.0527 32.3876 174.7279 50 L 4.5673 8.3784 128.3165 54.2869 43.0973 175.2412 51 I 4.6885 8.2401 127.3461 59.0131 40.4727 174.6022 52 T 4.1067 8.9255 120.5860 62.3614 68.7530 173.6374 53 L 4.3424 9.0692 125.5164 55.8904 43.4928 177.0495 54 F 5.1628 7.8215 115.5042 55.9178 43.7961 173.1101 55 Y 5.0133 8.9398 122.9675 55.9943 40.9503 174.3476 56 L 4.6169 8.2248 126.5404 52.9497 43.9983 177.3570 57 A 4.1891 8.3909 124.4283 52.8754 20.9444 176.4901 *64 Q 4.0902 7.1996 111.3275 56.5851 30.8316 177.4891 65 G 3.7078 8.1511 106.7090 46.8671 0.0000 174.3576 66 T 5.0410 8.2064 113.2283 59.9360 71.9708 172.6106 67 K 4.7455 8.6716 120.9735 54.8413 37.0297 174.8543 68 E 4.9456 8.5660 121.2347 54.9837 33.1829 174.6196 69 N 4.7310 9.6981 125.0289 52.7286 40.9746 176.8913 70 G 3.8147 8.8211 119.7421 46.7101 0.0000 173.2417 *78 R 4.6512 8.8060 123.9957 55.4016 32.9464 174.4003 79 L 5.3497 7.7986 119.0072 53.1310 45.8796 175.4804 80 K 4.7297 8.2684 120.2676 55.6876 36.1599 174.3565 81 S 4.9602 8.4504 121.1340 56.8380 66.5554 172.2451 82 T 5.1501 8.2609 112.2347 60.3241 72.7377 172.5833 83 F 5.0561 9.0749 124.5945 57.1024 42.9891 173.0394 84 N 4.4285 8.3077 124.6423 51.4760 40.6340 174.8224 84A S 3.8448 7.9478 121.6595 61.1113 63.3287 175.9206 84B K 4.0184 8.0700 120.8878 58.7769 31.9896 176.9365 84C E 4.3562 8.3956 114.6774 55.5379 30.5596 175.9629 85 R 4.1521 7.7796 117.8882 56.2174 28.0068 173.7202 86 Y 5.2652 7.2688 114.9345 57.7686 41.7317 174.7863 87 S 4.9942 8.2286 112.6347 57.6289 65.9291 173.3308 88 T 5.2288 8.5258 116.2816 59.1226 72.5686 173.0051 89 L 4.3444 7.8371 123.0367 53.7975 44.7594 173.9389 90 H 5.1194 9.0613 127.7349 54.3698 32.2712 172.7459 91 I 4.7100 8.4762 126.8454 59.2309 39.8598 174.0573 92 K 4.8182 8.6161 129.0252 55.6195 34.2189 174.6997 93 D 4.8750 10.0073 125.4061 53.7577 39.3772 171.5683 94 A 4.1308 8.2547 126.0524 51.6303 19.0431 177.4770 95 Q 4.9480 8.4100 120.6183 53.8348 32.3086 176.5634 96 L 3.8970 8.4482 117.5554 58.3293 41.7184 179.5017 97 E 3.9898 8.2499 114.4601 58.9024 29.2632 177.2266 98 D 4.7000 7.4754 117.7891 54.9419 40.9553 176.6937 99 S 4.5181 7.9521 116.8712 57.8888 64.2433 174.2866 100 G 3.9125 8.2316 105.4076 45.6960 0.0000 173.1875 101 T 4.7003 7.8623 115.7216 63.4756 70.2730 173.5241 102 Y 5.1888 8.2154 119.1234 56.3814 41.7664 174.7526 103 F 5.7792 9.5815 120.9975 54.7213 43.3932 171.3647 104 C 4.5994 8.8656 116.8079 53.3024 45.2118 172.4412 105 A 4.8925 8.7015 124.0299 49.9309 21.5883 175.1628 106 A 4.6694 8.1920 120.9684 49.8978 22.6940 174.9849 107 E 4.5323 8.5722 122.0198 55.5935 30.7483 175.8013 108 D 4.3145 8.8912 125.9081 56.3302 41.8587 178.8859 109 G 4.2586 8.1897 109.2199 46.2505 0.0000 175.0932 110 G 3.5186 8.3017 108.2707 48.0856 0.0000 174.7915 109 S 4.7685 8.1697 116.1199 59.4505 62.3142 174.7932 110 G 3.5186 8.3017 108.2707 48.0856 0.0000 174.7915 114 N 5.2036 8.2721 110.9773 51.1920 35.9191 174.3570 115 K 4.0897 7.8575 119.9789 57.7248 34.3467 177.2823 116 L 4.9282 8.3924 121.4743 53.5836 43.3066 176.2392 117 I 4.4461 8.5509 125.6319 59.7207 38.8072 175.0607 118 F 4.8397 9.0765 126.1325 56.7157 40.3224 176.9829 119 G 4.1262 8.5567 109.3098 45.6348 0.0000 173.4157 120 T 4.6577 8.5608 109.1891 61.4915 69.4430 173.8730 121 G 3.6268 8.4278 113.9957 46.1724 0.0000 174.6766 122 T 5.1516 7.4259 114.7448 60.5439 71.4972 171.8158 123 L 3.9959 8.4590 128.0678 55.3249 43.0312 174.9824 124 L 4.8666 8.6313 129.4845 54.0735 44.0275 175.2889 125 S 4.7732 9.0531 122.6383 57.0430 65.6240 173.5071 126 V 4.1159 7.9133 125.6246 60.7874 30.8618 175.6107 127 K 4.0376 8.8746 127.1211 55.7277 32.6852 176.4177 128 P 4.3544 0.0000 0.0000 63.2654 31.9129 174.5283 129 N 4.2794 7.9546 117.3477 53.9788 36.6652 172.7408 130 I 4.1204 7.7348 119.2369 60.4531 38.5233 175.7131 131 Q 4.4336 8.6921 124.1472 56.9308 30.6140 175.5269 132 N 4.9568 7.6390 114.2819 50.5149 38.3892 170.6235 133 P 4.5507 0.0000 0.0000 61.8114 32.2254 177.1628 134 E 4.7654 7.9051 124.4245 54.1814 28.6879 175.0223 135 P 4.8140 0.0000 0.0000 63.0876 32.4436 177.1628 136 A 4.9082 8.8212 125.4702 49.8995 22.7771 174.7492 137 V 4.7780 7.2689 118.3825 61.4113 34.7040 174.3772 138 Y 4.8503 8.8135 123.5756 56.2605 42.3812 173.8214 139 Q 5.1136 8.8013 122.7629 54.7093 30.8942 174.5941 140 L 4.9952 9.4606 126.4739 52.9497 45.1666 175.5150 141 K 5.0834 8.4660 119.7298 54.6800 36.0450 175.9740 142 D 4.5705 8.3973 123.1003 52.4533 40.2857 175.4006 143 P 4.4053 0.0000 0.0000 64.5412 31.4660 177.4956 144 R 4.5572 7.2383 117.0070 55.1944 30.6929 175.6553 145 S 4.3745 8.1165 108.9756 57.5788 65.6825 176.1724 146 Q 3.9616 9.1515 126.9941 59.6369 28.2454 177.1569 147 D 4.5782 7.9815 114.8889 53.9522 41.0391 175.3446 148 S 4.7313 7.8832 116.3321 58.4494 63.8146 173.3578 149 T 4.9923 8.4780 114.4894 60.0222 71.7554 172.9932 150 L 4.9465 8.9711 124.7617 53.9590 46.5040 173.9500 151 C 5.4290 9.2312 121.3607 55.3404 42.9641 172.5432 152 L 5.1226 8.7942 127.1381 53.3603 44.0811 174.8681 153 F 5.2730 8.9861 129.3271 57.3898 40.7747 173.8439 154 T 4.8500 8.9472 121.9702 60.8210 70.8540 173.0446 155 D 4.3163 9.0343 117.5423 55.0234 39.2511 173.8450 156 F 4.5299 7.7452 113.6165 56.4451 38.9015 174.0066 157 D 4.7693 8.5696 119.5309 53.0082 42.3681 176.9525 158 S 4.1824 8.8764 119.9475 62.1103 63.1195 175.9344 159 Q 4.3047 8.5912 117.9203 58.9153 28.5978 178.2238 160 I 3.9001 7.2202 109.6771 60.7726 38.0868 175.1275 161 N 4.6373 8.6039 121.8990 52.2646 39.2313 175.0823 162 V 3.7361 8.3627 123.6998 61.7528 32.2524 173.7500 163 P 4.2794 0.0000 0.0000 62.7257 31.9833 175.3602 164 K 4.5700 8.1090 118.4911 54.7432 35.0033 175.8708 165 T 4.2749 8.1307 116.2765 61.3800 68.2510 174.3326 166 M 4.6138 8.3117 123.0086 54.8139 33.1650 175.5116 167 E 4.3300 7.8523 116.7407 54.9463 31.3334 175.3441 168 S 4.4496 8.2155 114.0539 58.3571 64.7107 173.6504 169 G 3.9936 8.6007 110.7304 44.8008 0.0000 172.8539 170 T 4.5193 6.6876 115.2629 61.7705 70.1010 174.5079 171 F 4.8954 8.2664 124.0645 55.6962 43.3256 173.9933 172 I 4.9239 7.9808 121.2172 59.8629 40.9269 174.8172 173 T 4.5933 8.4545 115.9184 60.2442 70.9463 174.1701 174 D 4.6760 8.5086 122.7885 53.5400 41.7782 177.4438 175 K 4.4456 8.2430 120.4127 56.6459 31.3828 175.8715 176 C 4.4010 8.6011 128.2457 59.7560 33.0513 171.8854 177 V 4.7952 8.2945 124.2523 60.9944 34.1275 174.0439 178 L 4.9464 8.7129 126.5999 54.4138 44.6246 174.6212 179 D 4.8048 8.3042 117.0374 53.8266 43.4283 174.3609 180 M 4.6398 8.6472 125.9939 53.8702 33.5925 177.6919 181 K 3.7431 8.7988 120.6917 58.9378 33.9952 178.1138 182 A 3.7582 7.3221 118.6709 55.1260 17.5196 177.8777 183 M 4.5156 6.0322 113.9791 54.7008 36.4779 174.7691 184 D 4.3165 8.5193 126.9742 54.8065 38.6211 174.7618 185 S 4.6479 7.8718 113.8436 59.6409 63.1488 174.7300 186 K 4.8378 7.5338 121.2569 56.5807 32.0952 176.5281 187 S 4.5561 8.4850 118.8747 56.7711 66.2335 173.4163 188 N 4.4107 8.7557 122.9772 52.8660 41.3167 173.2805 189 G 4.6797 6.1288 111.0356 45.0006 0.0000 171.9163 190 A 5.2735 8.1000 125.4165 50.6558 23.0469 174.5335 191 I 5.2549 8.4501 114.0906 60.9076 42.3878 174.3225 192 A 5.0539 9.1282 125.8350 50.9727 23.3012 174.8363 193 W 5.5592 8.0956 115.4773 56.4020 32.1601 172.9967 194 S 5.6841 8.9817 112.4249 58.0302 64.8097 173.6266 195 N 5.1178 8.5622 120.4024 52.9344 38.1365 173.8025 196 Q 4.4172 7.8112 120.8840 57.6243 31.2351 177.6718 197 T 2.9238 8.2057 119.0257 63.0304 70.0001 173.6209 198 S 4.8223 8.2361 125.1303 58.6260 65.6754 174.8267 199 F 4.4207 8.3817 121.7846 55.5838 40.5085 174.9307 200 T 3.8167 7.9642 116.3133 60.0257 70.1630 174.9299 201 C 4.6995 8.6267 117.5104 58.1141 41.7674 174.4105 202 Q 4.3046 7.7499 117.9787 55.8620 30.0796 176.8360 203 D 4.5202 7.9617 117.2560 55.9532 41.4525 176.6300 204 I 4.4344 7.6329 109.4661 61.5291 39.8025 176.6700 205 F 3.7679 8.8095 119.7135 59.8158 39.0482 180.4635 206 K 3.9163 8.0077 116.0289 59.3024 36.1250 175.9039 207 E 4.4342 7.9542 123.8857 55.0802 28.2429 175.8340 208 T 4.3463 6.9680 113.8636 60.9865 71.8252 171.1410 209 N 4.7858 8.0608 120.6936 51.6845 42.5502 174.3338 210 A 4.0172 8.7222 126.3293 53.8649 19.9288 177.9847 211 T 4.0015 7.9792 115.1312 63.8633 69.3308 173.9632 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 2 M 8.30 4.51 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.54 0.00 3 P 0.00 4.30 0.00 2.21 2.12 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.18 0.00 4 V 7.96 4.89 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 0.91 0.00 0.00 1.09 0.00 0.00 5 E 8.65 4.58 0.00 2.13 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 2.20 2.33 0.00 6 Q 8.70 5.12 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.63 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 7 N 9.04 5.14 0.00 2.83 2.62 0.00 0.00 6.64 6.98 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 8 P 0.00 4.86 0.00 2.23 2.08 0.00 3.83 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 1.95 0.00 9 P 0.00 4.55 0.00 2.15 2.36 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.98 0.00 10 A 7.54 5.02 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 11 L 8.82 4.77 0.00 1.64 1.70 0.87 0.62 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 12 S 8.29 5.16 0.00 3.86 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.79 4.48 0.00 1.57 1.48 0.87 0.89 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 14 Y 8.31 5.35 0.00 2.79 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 E 8.96 4.14 0.00 1.94 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 2.52 2.38 0.00 16 G 9.10 4.19 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 0.00 17 A 8.33 4.52 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 18 D 8.15 5.07 0.00 2.57 2.65 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 19 S 7.73 4.46 0.00 3.82 3.53 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 20 G 8.67 4.49 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 0.00 0.00 0.00 21 L 8.45 5.02 0.00 1.43 1.66 0.74 0.88 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 22 R 9.13 4.64 0.00 1.80 1.89 0.00 3.10 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.61 0.00 23 C 8.76 5.77 0.00 3.29 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 24 N 8.46 5.09 0.00 2.69 2.64 0.00 0.00 6.89 8.13 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 25 F 8.34 5.79 0.00 3.03 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 S 8.92 4.52 0.00 3.92 4.24 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 27 T 7.63 4.81 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 1.23 0.00 0.00 28 T 8.48 4.39 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 29 M 8.38 4.52 0.00 1.83 1.63 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 2.44 0.00 *37 K 8.58 4.49 0.00 1.76 1.92 0.00 1.69 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 38 S 7.45 4.70 0.00 3.53 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 39 V 7.21 4.34 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.63 0.00 0.00 40 Q 8.27 4.83 0.00 2.02 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.83 0.00 0.00 0.00 0.00 0.00 1.67 2.48 0.00 41 W 9.20 5.10 0.00 3.48 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 10.14 5.64 0.00 3.37 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 43 Q 8.63 4.49 0.00 0.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.95 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 44 Q 8.82 4.61 0.00 2.40 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.31 0.00 45 N 8.32 4.68 0.00 2.86 2.94 0.00 0.00 6.57 9.14 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 46 H 8.60 4.47 0.00 3.19 3.40 0.00 5.71 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 84A S 7.95 3.84 0.00 3.89 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 84B K 8.07 4.02 0.00 1.69 2.02 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.46 7.81 84C E 8.40 4.36 0.00 2.25 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 2.29 2.36 0.00 85 R 7.78 4.15 0.00 2.17 2.31 0.00 3.23 0.00 0.00 3.31 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.65 0.00 86 Y 7.27 5.27 0.00 3.04 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 87 S 8.23 4.99 0.00 4.33 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 88 T 8.53 5.23 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 1.46 0.00 0.00 89 L 7.84 4.34 0.00 0.27 0.57 0.75 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 90 H 9.06 5.12 0.00 3.19 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.48 4.71 1.69 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 1.14 1.09 0.81 0.00 0.00 92 K 8.62 4.82 0.00 1.67 1.70 0.00 1.91 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.40 7.81 93 D 10.01 4.88 0.00 2.87 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 94 A 8.25 4.13 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 95 Q 8.41 4.95 0.00 2.23 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.88 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 96 L 8.45 3.90 0.00 1.72 1.71 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 97 E 8.25 3.99 0.00 2.10 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 2.33 0.00 98 D 7.48 4.70 0.00 2.85 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 107 E 8.57 4.53 0.00 1.99 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 2.25 2.22 0.00 108 D 8.89 4.31 0.00 2.81 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 0.00 109 G 8.19 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 0.00 0.00 0.00 0.00 110 G 8.30 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.17 4.77 0.00 3.86 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 0.00 110 G 8.30 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.27 5.20 0.00 2.76 2.88 0.00 0.00 5.90 7.13 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 0.00 115 K 7.86 4.09 0.00 1.71 1.81 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.72 1.45 7.81 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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 P 0.00 4.55 0.00 2.01 2.08 0.00 3.65 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.16 0.00 134 E 7.91 4.77 0.00 1.93 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 2.26 2.48 0.00 135 P 0.00 4.81 0.00 2.09 2.42 0.00 4.07 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 136 A 8.82 4.91 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 0.00 137 V 7.27 4.78 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 0.45 0.00 0.00 0.13 0.00 0.00 138 Y 8.81 4.85 0.00 3.00 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 0.00 139 Q 8.80 5.11 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 140 L 9.46 5.00 0.00 1.62 1.55 0.96 -0.25 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 0.00 141 K 8.47 5.08 0.00 1.60 1.68 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.35 1.42 7.81 142 D 8.40 4.57 0.00 2.76 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 0.00 143 P 0.00 4.41 0.00 2.07 2.10 0.00 3.67 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 144 R 7.24 4.56 0.00 1.73 1.88 0.00 3.19 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 145 S 8.12 4.37 0.00 3.79 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 0.00 146 Q 9.15 3.96 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.06 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 147 D 7.98 4.58 0.00 2.66 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.88 4.73 0.00 3.95 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 0.00 149 T 8.48 4.99 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 1.30 0.00 0.00 150 L 8.97 4.95 0.00 1.87 1.57 1.29 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 151 C 9.23 5.43 0.00 3.17 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 L 8.79 5.12 0.00 1.88 1.67 1.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 153 F 8.99 5.27 0.00 2.46 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 0.00 154 T 8.95 4.85 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 1.50 0.00 0.00 155 D 9.03 4.32 0.00 2.97 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 0.00 156 F 7.75 4.53 0.00 3.19 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 D 8.57 4.77 0.00 2.79 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 0.00 158 S 8.88 4.18 0.00 4.19 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 0.00 159 Q 8.59 4.30 0.00 2.27 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.58 2.55 0.00 160 I 7.22 3.90 1.94 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 1.73 0.75 1.00 0.00 0.00 161 N 8.60 4.64 0.00 2.76 2.82 0.00 0.00 6.99 7.68 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 0.00 162 V 8.36 3.74 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 0.83 0.00 0.00 0.89 0.00 0.00 163 P 0.00 4.28 0.00 1.82 1.88 0.00 3.73 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 1.98 2.11 0.00 164 K 8.11 4.57 0.00 1.65 1.63 0.00 1.71 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.34 7.81 165 T 8.13 4.27 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 166 M 8.31 4.61 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 167 E 7.85 4.33 0.00 1.95 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 168 S 8.22 4.45 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 0.00 169 G 8.60 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 0.00 0.00 0.00 170 T 6.69 4.52 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 1.05 0.00 0.00 171 F 8.27 4.90 0.00 1.68 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 0.00 172 I 7.98 4.92 1.70 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.33 0.78 0.00 0.00 173 T 8.45 4.59 4.34 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 1.44 0.00 0.00 174 D 8.51 4.68 0.00 2.73 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 0.00 175 K 8.24 4.45 0.00 1.97 2.07 0.00 1.83 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.48 7.81 176 C 8.60 4.40 0.00 3.20 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 V 8.29 4.80 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 0.83 0.00 0.00 0.96 0.00 0.00 178 L 8.71 4.95 0.00 1.70 1.71 0.90 0.68 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 0.00 179 D 8.30 4.80 0.00 2.63 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 0.00 180 M 8.65 4.64 0.00 2.00 1.94 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 2.62 2.51 0.00 181 K 8.80 3.74 0.00 1.84 1.95 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.49 7.81 182 A 7.32 3.76 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 0.00 183 M 6.03 4.52 0.00 1.88 1.90 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 184 D 8.52 4.32 0.00 3.02 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 0.00 185 S 7.87 4.65 0.00 4.12 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 0.00 186 K 7.53 4.84 0.00 1.56 1.74 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 187 S 8.48 4.56 0.00 3.79 3.58 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 0.00 188 N 8.76 4.41 0.00 1.51 1.74 0.00 0.00 6.91 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 0.00 189 G 6.13 4.68 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 0.00 0.00 0.00 190 A 8.10 5.27 1.49 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 0.00 0.00 191 I 8.45 5.25 2.14 0.00 0.00 1.00 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 0.54 1.40 0.00 0.00 192 A 9.13 5.05 1.24 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 0.00 0.00 193 W 8.10 5.56 0.00 3.53 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 194 S 8.98 5.68 0.00 3.77 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 N 8.56 5.12 0.00 2.86 3.11 0.00 0.00 5.50 7.04 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 0.00 196 Q 7.81 4.42 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.48 6.24 0.00 0.00 0.00 0.00 0.00 2.17 2.11 0.00 197 T 8.21 2.92 4.93 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 1.37 0.00 0.00 198 S 8.24 4.82 0.00 3.79 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 199 F 8.38 4.42 0.00 3.05 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 0.00 200 T 7.96 3.82 4.24 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 1.17 0.00 0.00 201 C 8.63 4.70 0.00 2.95 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 0.00 202 Q 7.75 4.30 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.91 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 203 D 7.96 4.52 0.00 2.84 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 204 I 7.63 4.43 1.74 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 1.46 0.83 0.89 0.00 0.00 205 F 8.81 3.77 0.00 3.25 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 0.00 206 K 8.01 3.92 0.00 1.92 2.33 0.00 1.60 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 207 E 7.95 4.43 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.28 0.00 208 T 6.97 4.35 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 0.98 0.00 0.00 209 N 8.06 4.79 0.00 2.55 2.54 0.00 0.00 6.65 7.35 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 0.00 210 A 8.72 4.02 1.24 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 0.00 0.00 211 T 7.98 4.00 4.14 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 1.14 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.