NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1083 7.8833 121.3814 61.1303 39.3677 173.7836 3 I 4.4333 8.1352 127.0533 59.3329 39.8238 172.6376 4 H 5.3502 9.3880 125.4113 54.1768 31.9668 172.4715 5 I 5.0271 9.0959 125.4349 59.5892 39.6461 174.9644 6 V 4.8129 9.3494 128.0643 61.5531 33.1499 175.2742 7 G 3.9535 9.0162 118.1019 45.1137 0.0000 173.1069 8 G 4.2347 8.4273 108.2318 46.0227 0.0000 174.4535 9 G 4.0402 8.1248 108.1066 44.4251 0.0000 172.3695 10 P 4.2634 0.0000 0.0000 62.8398 31.8029 177.5926 11 R 3.9431 8.8861 123.9431 59.2879 30.1152 177.9844 12 E 4.1506 8.0600 114.0891 58.2898 29.9830 177.4399 13 L 4.2809 7.9294 119.2670 55.7202 42.2166 176.8109 14 L 4.3993 7.4788 119.4737 53.6104 42.0081 175.2254 15 P 4.4799 0.0000 0.0000 61.9208 32.4291 175.2453 16 D 4.5168 8.5031 117.5328 54.1397 40.9103 176.6008 17 L 4.3143 8.6344 128.1005 57.6380 41.2922 179.2834 18 R 4.4662 8.3439 118.0754 59.4409 29.7781 178.1673 19 F 4.2805 8.6599 115.1305 58.5966 39.1788 175.5721 20 Y 4.6248 8.4426 115.4378 57.5965 38.6723 175.1368 21 D 4.8708 7.7999 119.7562 53.5030 42.6628 175.1609 22 G 3.9880 7.7168 110.1500 44.8906 0.0000 174.2208 23 E 3.8878 8.9037 120.3032 58.8842 29.6570 176.8710 24 D 4.5721 7.9348 115.3605 54.0759 41.3802 175.7169 25 V 4.5401 6.9680 117.7319 60.6973 33.8372 174.5093 *27 W 4.9842 8.0817 117.6400 56.8734 30.9405 174.8785 28 V 5.0193 9.3109 122.6137 61.3425 34.5426 174.3036 29 G 4.5960 8.9592 114.9677 44.2642 0.0000 172.6758 30 V 4.8369 8.5094 123.2960 61.4385 34.4652 174.4366 31 D 4.2469 9.0813 128.4337 55.0214 39.3707 176.5697 32 R 3.9892 8.8673 122.7731 59.7798 30.5335 177.7995 33 G 3.8840 8.3558 107.5509 49.0253 0.0000 176.4308 34 T 3.8623 7.7913 114.6945 64.2239 67.9721 176.2993 *36 T 4.2085 8.0600 120.2414 63.7205 70.6686 176.5041 37 L 3.7416 7.8961 121.0243 57.7311 42.1271 179.5316 38 L 3.6919 7.9364 118.5777 57.7043 41.6868 179.4150 39 E 3.8406 8.0163 116.4330 59.2186 29.4521 178.0141 40 A 3.6952 7.4340 120.0452 52.8568 18.5493 178.1060 41 G 3.6172 7.6752 103.6266 45.6451 0.0000 173.1241 42 F 4.9292 7.4028 118.4643 55.1087 40.0675 175.5683 43 R 4.0405 8.6021 126.8454 54.9553 30.5225 174.2508 44 P 4.7903 0.0000 0.0000 62.5686 32.0137 177.7933 45 V 3.8031 8.4853 115.3145 63.4280 32.1159 176.3401 46 R 4.6025 7.1367 117.7042 55.4051 33.8909 173.1904 47 A 5.3563 8.6293 125.9947 50.1848 23.2866 174.8265 48 F 5.0778 9.9063 118.3151 55.5022 42.7384 175.2259 49 G 4.1749 7.8743 109.3205 43.3068 0.0000 172.1213 50 D 5.1038 8.1677 118.6547 52.3004 43.5784 177.9097 51 F 4.1513 8.8582 120.0112 60.3873 39.3627 177.6576 52 D 4.4925 8.3750 119.6506 57.5126 40.6270 177.7151 53 S 4.3532 7.7259 112.8284 59.6371 63.1418 174.0489 54 L 4.6847 7.3795 120.4148 51.9873 43.5056 174.7177 55 P 4.3149 0.0000 0.0000 62.6579 32.1116 177.0575 56 A 3.9981 8.9427 124.2898 55.9333 18.2170 180.2551 57 E 3.9536 8.1811 115.9911 59.5822 29.4471 179.2727 58 D 4.4670 8.0601 119.1620 57.2714 40.8497 178.9034 59 V 3.7668 7.8161 118.4420 65.8839 31.5897 178.0436 60 V 3.5672 7.6604 118.2345 65.8650 31.6199 177.5978 61 K 3.8420 8.6520 119.6543 59.6628 31.8461 178.3577 62 L 4.2266 8.3561 120.3922 58.1894 42.0937 178.4328 63 Q 4.2713 8.1936 114.9235 57.4560 28.7136 177.2192 64 Q 4.2569 8.1120 120.2257 57.2313 29.7256 176.1622 65 A 4.4991 7.6445 118.1963 51.5201 22.0090 176.5069 66 F 4.8257 8.3722 115.7513 55.8465 39.8142 174.0528 67 P 4.3082 0.0000 0.0000 65.4474 31.9562 177.7877 68 D 4.6984 8.0236 115.6662 54.0640 40.7521 175.9689 69 L 3.9440 7.5179 122.9094 55.1945 42.4462 176.2844 70 D 4.4839 8.7127 125.8665 54.1152 41.6430 174.2283 71 V 4.6786 8.0890 125.8653 60.7634 33.6610 174.4898 72 W 4.6793 8.7962 128.6874 53.9692 30.8767 174.1604 73 P 4.9475 0.0000 0.0000 62.3398 31.5905 176.1926 74 A 4.2321 8.1236 123.7469 52.7430 18.5358 176.4616 75 E 4.8143 8.3367 118.0798 53.4345 33.2416 175.6102 76 K 4.1518 8.6865 118.9569 58.6686 32.4189 176.4144 77 D 4.4845 8.8717 124.3881 54.8631 38.6253 173.7208 78 K 4.8717 7.8903 114.6110 53.5354 36.3204 177.0831 79 T 4.2594 8.4036 112.6968 61.3142 69.9031 175.6841 80 D 4.4930 8.3697 120.0913 54.6096 40.2158 178.6574 *82 E 4.3422 8.4224 120.5982 56.2246 31.4838 177.6316 83 I 3.7559 7.5782 112.3098 63.8085 37.3108 177.9508 84 A 2.5800 7.4170 122.3167 54.3290 18.1068 179.4138 85 L 3.8005 7.6206 118.3145 58.2277 41.9777 178.5247 86 D 4.3512 8.3212 118.4897 57.0948 41.0993 178.4731 87 W 4.1187 8.0985 128.4117 60.3821 30.8171 177.7393 88 A 3.4305 8.3324 121.1055 55.2435 17.5748 179.8452 89 V 3.3118 7.5819 115.5393 65.6781 31.5370 177.4272 90 E 4.0505 7.4542 116.2878 57.5462 29.4213 177.1339 91 Q 4.0112 7.2716 117.5768 54.7220 29.4277 175.8454 92 T 3.2459 7.3818 106.7280 62.4111 67.0985 171.2936 93 A 4.5103 7.1249 123.4843 51.1166 21.1413 177.8211 94 R 3.8845 8.2394 119.8652 58.2170 30.5912 176.4793 *96 I 4.1818 7.5130 117.9502 61.9219 38.9471 174.4979 97 R 4.8365 8.8506 125.6199 54.2043 33.5725 174.5988 98 L 4.9353 8.5759 124.2519 53.4004 43.3731 176.0502 99 F 4.8846 9.5016 123.5627 55.9112 42.0850 176.3129 100 G 4.0529 8.7213 105.7355 46.8603 0.0000 174.8150 101 A 4.5261 8.1090 120.4123 51.6189 19.8711 177.2480 102 T 4.3718 7.5456 105.1466 60.1042 71.4775 174.4480 103 G 3.9047 8.6772 111.0110 45.2460 0.0000 175.9061 104 G 3.7234 8.1603 109.0349 46.4436 0.0000 177.3133 105 R 4.0165 8.5564 127.9357 55.7812 29.8585 177.1384 106 L 4.2682 8.6016 124.0320 57.0796 41.7931 178.9085 107 D 4.4660 8.1496 119.1895 56.5037 39.1724 178.2890 108 H 4.2718 8.0699 117.3414 58.6742 28.7539 177.1424 109 L 3.9786 7.9695 121.5066 58.5228 41.8651 178.9924 110 F 4.0974 8.6055 117.9368 60.3575 38.8511 177.9714 111 G 3.6746 8.3851 105.4880 47.9346 0.0000 175.5253 112 N 4.3716 8.5841 119.2952 56.0143 38.4852 177.6990 113 V 3.5585 7.9616 119.8188 65.9717 31.5048 177.9340 114 E 3.9918 8.2690 118.4187 59.2000 29.2484 179.3204 115 L 3.9276 7.7945 118.9647 57.9178 41.7639 179.4294 116 L 4.0631 7.9241 118.7789 57.8882 41.2672 179.7786 117 L 4.0871 7.5931 118.0847 57.5396 41.7190 178.7948 118 K 3.8639 8.0135 118.8143 58.8351 32.4697 177.4979 119 Y 4.9293 7.7357 116.5820 57.6252 38.8929 177.8439 120 A 4.1938 8.3646 123.9811 54.4165 18.9136 179.1351 121 D 4.6055 8.1491 113.4020 54.6172 40.0214 176.3415 122 R 4.5238 7.7121 119.6134 53.7905 31.9760 174.8284 123 P 4.5375 0.0000 0.0000 62.2551 30.4271 175.1438 124 I 4.8925 7.9002 123.9261 59.6268 40.8696 174.6647 125 E 4.8070 9.1502 125.5319 54.5529 33.2996 174.8823 126 I 4.5097 8.3925 124.3346 60.0532 38.9729 174.9840 127 V 4.8401 8.1155 126.7815 61.1716 34.5480 174.2373 128 D 4.8594 8.8146 125.8100 51.6952 42.4826 175.8825 129 R 4.1756 8.7043 115.3734 58.7811 29.3849 176.9646 130 Q 4.8173 8.9350 115.7088 55.4621 31.6390 174.3939 131 N 5.3466 8.6123 116.1964 51.6913 43.8818 173.6325 132 V 4.6309 8.5226 121.9314 61.0073 34.6813 173.7491 133 L 4.9319 9.0247 130.8962 53.4150 44.1365 175.1994 134 T 4.9837 8.3746 115.0326 60.0225 72.2059 173.2774 135 V 4.7624 8.0551 114.1392 60.1374 35.7108 174.8698 136 H 4.9911 8.9860 119.0527 54.4694 33.3676 173.2654 137 L 5.0006 8.6926 121.8883 52.4959 43.7847 174.5418 138 P 3.1969 0.0000 0.0000 62.0115 31.9430 176.9613 139 G 3.4364 6.1224 108.2077 45.9012 0.0000 170.3294 140 T 4.6790 7.2988 115.2535 61.7211 71.1333 173.5632 141 Y 4.6079 8.7196 123.8786 56.2974 41.5220 174.8212 142 T 5.0180 8.5864 119.3862 62.7774 70.3519 174.1869 143 V 4.6111 8.8458 125.7021 61.1234 35.4130 173.1917 *145 Y 4.5195 8.2233 120.4626 57.4402 39.5657 173.9370 146 D 4.5451 7.4703 124.4685 52.1008 43.8997 175.7355 147 A 3.8209 8.6551 129.8742 55.1776 18.5529 178.6407 148 R 3.5815 7.8888 114.0290 58.3091 30.0399 176.3993 149 Y 4.7469 7.4676 114.7765 56.6534 40.1377 172.2880 150 C 4.5182 8.5048 119.0138 55.3938 43.1970 173.0592 151 Y 5.2639 7.8764 118.0117 56.4330 41.2475 174.9141 152 V 4.6885 8.9708 121.7338 61.4877 34.7418 174.3181 153 S 5.0365 8.9943 123.8597 56.8321 66.1276 173.1500 154 Y 4.6203 8.4793 119.8350 56.2289 40.5652 175.4284 155 I 4.4757 8.1148 123.9984 58.3964 40.6755 173.4817 156 P 4.1782 0.0000 0.0000 62.8834 31.9422 175.8931 157 V 4.1621 8.3743 122.0972 64.6403 32.7329 176.3990 158 S 4.3919 7.8509 113.2469 57.6565 63.9151 174.0511 159 E 4.2303 8.9581 121.3219 59.1050 30.4292 176.5124 160 T 5.1230 7.8019 107.5291 59.7495 73.0122 172.8825 161 V 4.5497 8.5386 122.3375 61.1808 34.6016 174.0724 162 A 4.9843 9.0185 129.3212 50.5121 22.0718 176.1501 163 E 4.2449 8.5984 116.8939 56.2289 27.2552 174.7444 164 F 5.2963 8.1969 119.7205 58.5926 40.7190 175.0705 165 T 4.6342 8.6345 122.0409 61.7598 72.7340 172.6979 166 L 5.0907 8.6368 126.3106 52.9450 44.4246 176.0456 167 T 4.5476 9.2943 113.0065 61.0542 71.7444 174.7244 168 G 4.0659 9.4668 113.2090 45.1663 0.0000 172.4307 169 F 5.1642 7.7547 116.7841 54.9553 41.6186 175.7500 170 K 3.8334 9.1548 124.7352 58.7488 31.9895 176.3774 171 Y 4.8035 7.9593 116.7894 55.5084 38.3740 173.4964 172 P 4.7336 0.0000 0.0000 62.2773 32.7329 176.0835 173 L 4.8991 8.2293 120.7259 53.4702 46.2764 175.6621 174 T 4.6405 8.1339 118.2165 62.6500 72.1590 171.7874 175 N 3.6911 9.3360 125.5964 54.1422 38.9017 172.1114 *177 H 4.6453 8.4996 123.5430 56.1244 31.1511 172.0813 178 I 4.5285 8.2555 125.9091 59.5293 40.1123 174.5806 179 S 5.0479 8.3580 122.1827 56.2434 65.9271 173.7831 180 R 4.0251 8.8487 126.3584 57.6483 30.4384 175.4762 181 G 4.1446 9.0098 112.7000 45.3311 0.0000 174.1466 182 S 4.3099 7.8414 111.9644 59.4833 63.2844 173.7446 183 T 4.3951 8.2101 118.7275 61.8884 68.1526 174.4953 184 L 3.9239 8.2378 126.9190 56.5602 42.4127 177.3279 *186 I 3.9774 7.5039 118.4921 61.0294 38.2794 175.1186 187 S 4.7692 8.6128 123.1847 58.7323 64.0005 173.1326 188 N 5.0666 8.7115 120.6555 53.7154 43.4636 172.3257 189 E 4.9731 8.5529 119.9198 54.6503 33.2977 173.5019 190 L 3.9099 8.6351 129.7215 54.3285 42.6044 175.9718 191 I 4.4922 8.4274 119.9295 60.6577 38.3952 174.8468 192 Q 4.6256 7.6872 120.4138 54.1224 32.6836 175.3882 193 S 4.2765 8.5764 113.3867 60.9334 63.2627 174.6233 194 S 4.9528 7.7495 113.0442 56.5939 66.2242 173.3494 195 G 4.4640 9.3079 108.3866 45.1198 0.0000 170.9334 196 T 5.6708 9.2370 108.9700 59.7665 72.5778 173.0409 197 F 5.5688 9.1481 117.5918 55.3927 41.3757 173.8981 198 S 5.5326 9.1055 114.3759 57.1945 66.9529 172.6067 199 F 6.0147 8.4840 114.4296 56.9831 40.4221 174.2748 200 S 4.6722 9.4186 114.3243 58.8325 64.8689 173.9833 201 E 4.6782 8.3966 118.8290 55.9940 34.0642 175.3696 202 G 4.2008 9.4868 106.5913 45.0824 0.0000 172.1328 203 I 4.9733 8.5362 118.5390 59.8123 41.5942 174.7353 204 L 4.6656 8.5010 127.8021 53.1048 46.3372 174.2943 *207 I 4.1687 8.1017 118.3165 61.3931 38.6615 175.0406 208 R 5.0129 8.4474 126.8784 54.5858 32.4453 175.8277 209 S 5.7282 9.3865 117.2997 57.0541 67.2588 172.4693 210 S 5.2878 8.6944 113.4307 57.6850 66.3017 172.8755 211 D 4.7060 8.4525 118.4216 52.7000 41.4316 175.5691 212 S 4.3307 8.7164 112.5952 60.6481 62.9825 174.6166 213 S 4.6232 8.4867 116.8776 58.6178 62.8693 173.1980 214 C 4.3787 8.0032 119.8161 56.2976 40.5172 173.5394 215 L 4.1822 8.4065 125.4076 55.2057 41.7002 175.9756 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 I 7.88 4.11 1.74 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 1.26 0.78 0.69 0.00 0.00 3 I 8.14 4.43 1.81 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.70 1.03 0.00 0.00 4 H 9.39 5.35 0.00 1.84 2.80 0.00 5.60 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 5 I 9.10 5.03 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.78 0.98 0.00 0.00 6 V 9.35 4.81 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 1.16 0.00 0.00 1.22 0.00 0.00 7 G 9.02 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 0.00 0.00 0.00 8 G 8.43 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 8.12 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 10 P 0.00 4.26 0.00 2.20 2.18 0.00 3.84 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 2.20 2.12 0.00 11 R 8.89 3.94 0.00 1.88 1.94 0.00 3.22 0.00 0.00 3.37 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 12 E 8.06 4.15 0.00 2.12 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 2.28 2.28 0.00 13 L 7.93 4.28 0.00 1.87 1.76 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.48 4.40 0.00 1.79 1.61 1.00 1.22 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 15 P 0.00 4.48 0.00 2.45 2.24 0.00 3.92 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 16 D 8.50 4.52 0.00 2.75 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 17 L 8.63 4.31 0.00 1.72 1.67 0.66 0.39 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 18 R 8.34 4.47 0.00 2.03 1.93 0.00 3.09 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 19 F 8.66 4.28 0.00 3.18 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 20 Y 8.44 4.62 0.00 3.26 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 7.80 4.87 0.00 2.49 2.61 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 22 G 7.72 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 23 E 8.90 3.89 0.00 1.94 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 2.29 2.31 0.00 24 D 7.93 4.57 0.00 2.62 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 25 V 6.97 4.54 1.93 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 0.74 0.00 0.00 *27 W 8.08 4.98 0.00 3.43 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 V 9.31 5.02 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 1.20 0.00 0.00 1.22 0.00 0.00 29 G 8.96 4.60 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 0.00 30 V 8.51 4.84 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 1.04 0.00 0.00 1.01 0.00 0.00 31 D 9.08 4.25 0.00 3.00 2.48 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 32 R 8.87 3.99 0.00 1.79 2.00 0.00 3.39 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 33 G 8.36 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 0.00 0.00 0.00 34 T 7.79 3.86 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 *36 T 8.06 4.21 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 1.13 0.00 0.00 37 L 7.90 3.74 0.00 1.78 1.79 1.09 0.09 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 38 L 7.94 3.69 0.00 1.54 1.47 0.61 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.02 3.84 0.00 1.94 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 2.26 2.32 0.00 40 A 7.43 3.70 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 G 7.68 3.62 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 0.00 0.00 0.00 42 F 7.40 4.93 0.00 2.49 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 R 8.60 4.04 0.00 1.88 1.95 0.00 3.42 0.00 0.00 3.35 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.71 0.00 44 P 0.00 4.79 0.00 2.34 2.04 0.00 3.58 0.00 0.00 3.79 0.00 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7.96 3.56 2.16 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 0.99 0.00 0.00 0.76 0.00 0.00 114 E 8.27 3.99 0.00 2.20 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 2.60 2.52 0.00 115 L 7.79 3.93 0.00 1.98 1.79 0.93 0.65 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 0.00 116 L 7.92 4.06 0.00 1.87 1.70 0.91 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 117 L 7.59 4.09 0.00 1.77 1.70 0.91 0.93 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 0.00 118 K 8.01 3.86 0.00 1.50 1.62 0.00 1.52 0.00 0.00 1.21 0.00 0.00 2.59 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.43 1.13 7.81 119 Y 7.74 4.93 0.00 3.13 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 0.00 120 A 8.36 4.19 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 0.00 121 D 8.15 4.61 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 0.00 122 R 7.71 4.52 0.00 1.84 1.81 0.00 3.26 0.00 0.00 3.28 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 123 P 0.00 4.54 0.00 2.23 2.12 0.00 3.39 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 124 I 7.90 4.89 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 1.26 0.77 0.84 0.00 0.00 125 E 9.15 4.81 0.00 1.70 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 2.15 2.20 0.00 126 I 8.39 4.51 1.73 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.47 0.77 0.00 0.00 127 V 8.12 4.84 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 0.74 0.00 0.00 0.62 0.00 0.00 128 D 8.81 4.86 0.00 3.16 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 0.00 129 R 8.70 4.18 0.00 1.96 2.15 0.00 3.02 0.00 0.00 3.43 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.65 0.00 130 Q 8.94 4.82 0.00 2.01 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 131 N 8.61 5.35 0.00 2.67 2.53 0.00 0.00 6.34 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 0.00 132 V 8.52 4.63 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 0.89 0.00 0.00 0.65 0.00 0.00 133 L 9.02 4.93 0.00 1.54 1.34 0.77 0.41 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 0.00 134 T 8.37 4.98 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 1.20 0.00 0.00 135 V 8.06 4.76 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 0.69 0.00 0.00 0.89 0.00 0.00 136 H 8.99 4.99 0.00 3.39 3.03 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.69 5.00 0.00 1.64 1.70 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 138 P 0.00 3.20 0.00 1.93 1.89 0.00 3.86 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.34 0.00 139 G 6.12 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 T 7.30 4.68 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 141 Y 8.72 4.61 0.00 1.43 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 0.00 142 T 8.59 5.02 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 1.29 0.00 0.00 143 V 8.85 4.61 2.37 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 1.19 0.00 0.00 1.51 0.00 0.00 *145 Y 8.22 4.52 0.00 3.20 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 0.00 146 D 7.47 4.55 0.00 2.68 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 0.00 147 A 8.66 3.82 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 0.00 148 R 7.89 3.58 0.00 0.79 0.69 0.00 3.00 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.34 0.00 149 Y 7.47 4.75 0.00 2.85 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 C 8.50 4.52 0.00 2.67 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 0.00 151 Y 7.88 5.26 0.00 2.95 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 0.00 152 V 8.97 4.69 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.03 0.00 0.00 153 S 8.99 5.04 0.00 3.54 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 0.00 154 Y 8.48 4.62 0.00 2.72 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 I 8.11 4.48 1.79 0.00 0.00 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 1.40 0.51 0.90 0.00 0.00 156 P 0.00 4.18 0.00 2.21 1.87 0.00 3.64 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.83 0.00 157 V 8.37 4.16 2.16 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 0.78 0.00 0.00 0.88 0.00 0.00 158 S 7.85 4.39 0.00 3.91 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 8.96 4.23 0.00 2.11 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 2.38 2.37 0.00 160 T 7.80 5.12 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 1.23 0.00 0.00 161 V 8.54 4.55 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 0.61 0.00 0.00 0.66 0.00 0.00 162 A 9.02 4.98 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 0.00 163 E 8.60 4.24 0.00 2.26 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 2.59 2.30 0.00 164 F 8.20 5.30 0.00 2.88 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 0.00 165 T 8.63 4.63 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 1.21 0.00 0.00 166 L 8.64 5.09 0.00 1.23 1.24 0.51 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 167 T 9.29 4.55 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 168 G 9.47 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 0.00 169 F 7.75 5.16 0.00 3.02 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 0.00 170 K 9.15 3.83 0.00 1.46 1.42 0.00 1.53 0.00 0.00 1.13 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 1.06 7.81 171 Y 7.96 4.80 0.00 3.11 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 0.00 172 P 0.00 4.73 0.00 1.98 2.03 0.00 3.74 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 173 L 8.23 4.90 0.00 1.29 1.41 1.10 0.67 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 0.00 174 T 8.13 4.64 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 1.20 0.00 0.00 175 N 9.34 3.69 0.00 2.86 2.75 0.00 0.00 6.35 7.90 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 *177 H 8.50 4.65 0.00 3.26 3.27 0.00 5.73 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 I 8.26 4.53 1.78 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.48 0.74 0.00 0.00 179 S 8.36 5.05 0.00 3.72 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 R 8.85 4.03 0.00 1.83 1.79 0.00 3.35 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.53 0.00 181 G 9.01 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 0.00 0.00 0.00 0.00 182 S 7.84 4.31 0.00 3.82 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 0.00 183 T 8.21 4.40 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 0.00 184 L 8.24 3.92 0.00 1.61 1.69 0.90 0.90 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 *186 I 7.50 3.98 2.11 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.89 1.10 0.00 0.00 187 S 8.61 4.77 0.00 3.78 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 0.00 188 N 8.71 5.07 0.00 2.95 3.02 0.00 0.00 6.60 7.50 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 0.00 189 E 8.55 4.97 0.00 2.12 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 2.26 2.48 0.00 190 L 8.64 3.91 0.00 1.34 1.46 0.45 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 191 I 8.43 4.49 1.82 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 1.34 0.77 0.87 0.00 0.00 192 Q 7.69 4.63 0.00 2.12 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 7.13 0.00 0.00 0.00 0.00 0.00 2.24 2.20 0.00 193 S 8.58 4.28 0.00 3.95 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 0.00 194 S 7.75 4.95 0.00 3.87 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 0.00 195 G 9.31 4.46 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 0.00 196 T 9.24 5.67 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 1.26 0.00 0.00 197 F 9.15 5.57 0.00 2.83 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 198 S 9.11 5.53 0.00 3.89 3.85 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 0.00 199 F 8.48 6.01 0.00 3.38 3.39 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 0.00 200 S 9.42 4.67 0.00 3.84 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 E 8.40 4.68 0.00 1.97 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 2.33 2.37 0.00 202 G 9.49 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 0.00 0.00 0.00 0.00 203 I 8.54 4.97 1.88 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 1.21 0.88 0.94 0.00 0.00 204 L 8.50 4.67 0.00 0.73 0.91 0.37 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 *207 I 8.10 4.17 1.72 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.22 0.79 0.00 0.00 208 R 8.45 5.01 0.00 1.27 1.61 0.00 3.09 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.38 0.00 209 S 9.39 5.73 0.00 4.01 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 S 8.69 5.29 0.00 3.86 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 0.00 211 D 8.45 4.71 0.00 2.94 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 0.00 212 S 8.72 4.33 0.00 4.02 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 213 S 8.49 4.62 0.00 4.17 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 0.00 214 C 8.00 4.38 0.00 2.93 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 0.00 215 L 8.41 4.18 0.00 1.58 1.53 0.92 0.91 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 * Residues marked with a * may have inaccurate shift predictions.