NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 29 P 4.7005 0.0000 0.0000 62.6528 32.7622 175.5189 30 Y 4.2368 8.9944 128.1292 56.9770 40.0096 172.7789 31 R 5.1230 8.6797 127.1066 54.8593 32.5295 175.4012 32 V 4.7687 9.1728 124.2414 59.9883 34.4325 174.3754 33 D 5.4256 8.7789 124.7677 52.3804 44.2917 175.2345 34 F 5.1989 8.8195 120.1958 55.7919 41.9408 174.7076 35 I 4.3688 9.0571 126.3958 60.5635 38.0038 175.2979 36 L 4.1388 8.3999 129.2338 53.4140 41.9541 177.0126 37 L 4.2063 8.1235 124.3308 52.8990 43.9402 176.2859 38 E 3.9780 8.6324 121.8352 58.2145 29.9541 176.9237 39 H 4.0951 9.2479 122.1451 56.5522 27.0005 174.8318 40 F 4.2135 7.7395 114.4315 56.4834 38.4947 175.0654 41 S 4.3203 8.8423 118.2242 58.3090 63.1934 174.3629 *43 A 4.3510 8.3598 122.5973 52.3523 20.5239 179.3080 44 S 4.2286 8.2092 111.6209 61.7425 62.6962 176.6351 45 F 4.1716 8.0471 121.7571 61.5943 39.2817 177.0053 46 T 3.6089 7.8281 107.8629 64.4790 68.9612 176.4386 47 V 3.6929 7.6999 121.6200 64.2663 31.4010 178.8490 48 A 3.7028 7.4595 119.0581 52.6128 17.9350 178.5002 *50 D 4.3089 8.2567 119.5345 55.7604 43.1541 177.6041 51 V 3.5211 7.4682 118.0007 66.3207 31.1203 178.0639 52 L 3.7944 7.3830 118.0162 57.2670 41.3127 179.7866 53 V 3.8311 7.3810 117.8686 66.4661 31.3763 177.9711 54 T 3.8928 8.6523 115.8848 66.6009 68.1359 176.3002 55 A 4.1019 8.1680 122.6162 55.4633 18.2682 179.4998 56 N 5.1178 7.7843 114.8758 55.8826 38.6389 176.9891 57 L 4.0835 7.8427 121.1744 57.7438 42.1797 178.2598 58 L 4.6826 7.5265 116.7993 54.4527 42.6876 176.4577 59 R 4.2534 8.0627 118.3226 53.8613 31.6670 173.9127 60 A 4.1816 8.7400 128.4855 53.8394 19.0383 176.5687 61 D 4.3526 8.4902 118.7042 54.3719 38.6780 175.0989 62 S 3.9667 8.4253 117.5757 61.6500 64.2410 175.7679 63 F 5.7541 8.3467 115.6071 55.8815 43.2057 174.4419 64 Q 4.3498 9.3767 120.6405 53.9736 31.8595 174.5928 65 F 6.0732 7.2659 117.3011 55.0692 41.8394 174.0892 66 T 4.9620 8.7537 116.0150 61.6433 73.3132 171.4805 67 P 4.9787 0.0000 0.0000 62.7006 33.0055 175.1138 68 L 5.2873 9.1451 122.9437 52.9154 45.7363 175.2892 69 S 4.7603 8.8037 116.3870 56.4828 65.0741 175.1239 70 L 3.9152 8.6138 126.8374 57.1457 41.6563 176.9141 71 D 4.5730 8.1182 117.8139 55.4673 40.5085 173.3486 72 G 3.7496 7.9991 110.3523 44.2827 0.0000 171.8978 73 D 5.3283 8.5999 114.8691 52.0934 40.7378 175.6799 74 R 5.2417 7.7412 116.5820 55.1346 34.4181 174.5041 75 V 4.4743 8.5656 122.3829 60.9624 35.1462 173.9617 76 L 4.8413 8.6140 129.6221 54.6043 43.7505 176.0308 77 S 4.0594 8.7891 121.5091 56.0941 65.6212 174.4297 78 D 4.3390 7.8664 118.1737 54.7140 39.3445 176.8356 79 L 4.2957 7.6340 119.7635 54.3702 42.0049 178.1065 80 G 3.9637 8.0498 108.0834 45.0924 0.0000 173.9592 81 L 4.4887 7.1332 119.1065 54.0482 43.4226 175.5021 82 E 5.2415 8.6771 121.0686 54.7900 31.8653 175.2592 83 L 4.8741 8.6792 123.2581 52.8189 44.8341 176.0297 84 V 4.3568 8.3929 122.3342 62.9767 32.3722 174.8809 85 A 4.7955 8.6806 127.5620 50.6798 23.2810 175.1420 86 T 4.3700 8.6101 116.2935 62.7867 70.1704 174.1955 87 E 4.4299 8.6383 126.9249 55.6941 30.3202 176.1337 88 L 4.0475 8.8811 130.2007 55.4338 42.9162 176.1045 89 S 4.5830 8.4611 119.5971 56.0369 64.4094 173.1077 90 A 4.0393 8.9915 130.9900 55.5340 18.5033 178.4866 91 A 4.0017 8.1191 117.7657 55.5534 18.6038 179.8410 92 A 4.3694 7.5465 112.9530 53.1645 17.8786 178.0994 93 L 4.4436 7.5854 118.9337 56.0327 43.0431 178.5717 94 K 3.6279 8.0139 119.9527 59.2838 32.0468 176.8981 95 E 4.4569 7.9914 115.5309 56.1036 29.4678 175.6674 96 L 4.4315 7.6505 119.3562 54.0307 42.8409 176.2875 97 D 4.6184 8.2525 121.4090 55.4539 42.4686 177.0393 98 L 4.9396 7.3100 119.9050 53.9572 45.8561 173.8127 99 L 4.9068 8.6040 128.3171 53.3077 44.5384 174.6358 100 V 4.6053 8.5320 127.0899 61.0980 34.0879 174.3447 101 V 4.2872 8.9951 128.6083 62.0227 33.1361 174.1545 102 C 4.9146 9.0871 127.1256 58.5860 30.0243 173.1208 103 G 4.8570 7.7982 113.2718 45.2609 0.0000 171.1588 104 G 3.6438 8.3541 106.9317 45.1756 0.0000 174.3058 105 L 4.0116 7.4215 120.7710 58.2635 41.7236 178.0619 106 R 4.2733 7.5484 113.0445 56.2253 30.3944 176.6246 107 T 4.3732 7.7139 116.0440 62.2863 68.6860 172.4613 108 P 4.3276 0.0000 0.0000 62.9808 32.2835 177.3444 109 L 4.4806 8.0363 123.6628 53.4090 41.2423 175.8648 110 K 4.6557 7.1432 124.2840 55.6319 32.9857 178.3996 111 Y 3.8265 8.6024 112.0816 57.7271 35.2668 169.5400 112 P 4.3526 0.0000 0.0000 66.2150 31.2853 177.6144 113 E 4.0564 8.3694 116.7215 59.3006 29.2890 178.9046 114 L 4.0492 8.3618 119.9911 57.4069 41.6467 179.0314 115 D 4.3749 8.0524 119.1668 57.5358 40.8184 178.9664 116 R 4.0458 7.9159 115.8130 58.7237 29.7390 178.2643 117 L 3.9178 7.6809 121.3632 58.2036 42.0299 178.9993 118 L 4.0550 8.2240 119.0769 57.3729 41.4614 178.9346 119 N 4.2764 8.0709 116.9300 56.9352 38.8762 176.7637 120 D 4.3619 8.5116 120.6612 57.5430 40.6327 178.6037 121 C 4.1542 7.8633 116.4269 62.6028 27.8398 175.6546 122 A 4.1321 8.3227 122.6936 54.8859 17.7181 179.5951 123 A 3.9919 8.0776 119.0987 55.5347 18.5822 179.1251 124 H 4.2234 8.3932 116.1395 57.2293 31.2117 175.7208 125 G 4.0588 7.3184 108.7016 45.8976 0.0000 172.5078 *127 A 4.3106 7.6352 122.6409 52.1807 21.0744 176.2657 128 L 5.1536 8.7652 118.7066 53.1942 46.4488 175.9309 129 G 4.9020 8.9934 107.8690 45.5591 0.0000 171.4650 130 G 5.1783 8.4726 104.4680 44.8591 0.0000 172.2780 131 L 4.8993 8.7095 123.7079 54.6258 44.7644 174.9553 132 W 3.5326 9.5879 132.6145 57.3971 30.5677 174.2831 133 N 5.4373 8.8781 110.0102 51.9554 38.8139 177.0253 134 G 4.1223 8.5966 108.3597 48.4613 0.0000 175.9422 135 A 4.1911 8.2916 122.2940 54.5693 18.2915 179.1563 136 W 4.0462 8.7491 127.8090 60.8205 30.6980 178.2160 137 F 4.1438 8.3383 117.3628 60.5824 38.4377 177.7626 138 L 4.1877 8.1865 118.3528 57.4022 41.4363 179.7136 139 G 3.3894 8.3104 106.3220 47.8747 0.0000 175.8554 140 R 3.6264 7.4131 120.3282 58.6285 30.0475 178.0602 141 A 4.1701 7.7910 119.4227 52.7672 18.3701 177.8689 142 G 3.7600 7.8105 105.0630 46.7560 0.0000 174.6598 143 V 4.2347 7.6367 110.4384 60.9128 32.0260 176.5263 144 L 4.5581 7.5564 118.6293 54.3183 42.0606 175.8662 145 D 4.3604 8.1409 119.4684 55.5587 40.6240 175.5880 146 D 4.5012 9.1202 126.1006 55.6170 39.8519 172.8315 147 Y 4.9781 7.7534 112.9066 56.1433 42.8663 175.4667 148 G 4.5369 9.1974 109.2689 45.6493 0.0000 172.2599 149 C 4.9020 8.1136 113.6000 57.7103 33.3885 172.7101 150 S 5.1211 9.4584 116.2950 56.9246 65.0188 173.7859 151 I 4.7687 8.0852 122.2321 59.5236 41.3426 173.8696 152 H 3.9279 8.9445 127.3865 55.4919 30.5476 174.5162 153 P 4.1948 0.0000 0.0000 65.6686 31.3928 178.1507 154 E 3.9810 8.4416 117.5404 58.8133 29.7060 177.7386 155 Q 4.5636 8.0156 115.2397 55.4222 29.3644 177.2963 156 R 3.8928 8.0139 122.3746 59.4022 30.1400 178.3457 157 A 4.0248 7.9826 120.0246 55.4355 18.4062 179.6163 158 S 4.2063 8.1257 113.1612 61.7234 63.0225 176.4915 159 L 3.9348 8.2263 123.0795 58.3603 41.5843 179.3032 160 S 4.2048 7.8788 113.9500 61.4879 62.8608 176.1581 161 E 4.1253 8.1241 120.6422 59.1928 29.3076 178.9684 162 R 4.3174 8.1110 116.5724 56.7800 31.9644 176.9358 163 S 4.5859 7.9239 112.8841 55.1844 62.2942 172.0372 164 P 4.1934 0.0000 0.0000 65.5091 31.8695 177.6543 165 Q 4.2643 8.0741 114.5358 56.7285 28.9947 174.6881 166 T 5.1111 7.9247 116.2724 62.0591 70.0235 174.5342 167 R 4.4623 8.8506 125.5950 55.3198 32.2626 175.5197 168 I 4.4239 8.1428 123.6635 60.0795 38.3484 175.6175 169 T 4.1654 8.8846 125.8324 61.8592 68.9591 174.0690 170 P 4.5375 0.0000 0.0000 61.1630 29.7140 175.0216 171 A 4.6011 7.0826 120.0427 51.5420 22.5527 177.6557 172 S 4.5110 8.7128 114.5567 60.6624 64.0784 173.6716 173 F 5.5517 7.6531 113.8370 55.8315 41.5853 174.4311 174 T 4.3938 9.1203 115.5809 62.4704 72.9605 173.2142 175 L 5.0897 8.6871 126.7207 52.5710 42.6142 174.1885 176 D 4.8075 8.8768 121.5721 52.6483 42.8323 178.5796 177 R 3.8763 8.4696 129.2666 57.3987 29.0160 177.2825 178 D 5.0712 9.1582 125.1759 54.0751 41.0265 175.5417 179 R 4.8155 8.2830 118.8768 55.6825 33.5693 174.0690 180 L 5.4191 8.6802 125.0998 52.9138 44.1263 176.1893 181 S 5.3103 9.0228 117.0046 57.0955 67.0561 172.8357 182 A 5.2759 9.4044 122.2796 50.6830 22.3404 176.4168 183 A 4.8181 9.3941 121.8370 52.1205 20.3380 176.7085 184 S 4.4010 7.6598 108.8419 56.0421 66.2261 173.4964 185 P 4.3264 0.0000 0.0000 65.8344 31.1961 177.8184 186 N 4.4133 8.3232 115.0693 56.4521 39.2559 176.0349 187 G 3.7572 8.3955 107.2475 48.5926 0.0000 175.4619 188 A 4.3765 7.9060 121.3125 52.4345 17.9121 178.2247 *190 E 4.0119 8.2973 121.1665 57.8798 31.3705 178.5605 191 L 4.0827 7.7520 116.7860 56.1012 41.8093 178.2567 *193 L 4.2879 8.0380 119.3092 54.3401 43.7371 179.4086 194 G 3.6544 8.4111 105.7792 47.5730 0.0000 175.6226 195 L 3.9292 7.9791 122.7203 57.9371 42.0720 179.2050 196 V 3.9129 7.7970 117.7874 66.0392 31.4473 177.7341 197 R 4.0710 8.3795 118.8524 59.5789 29.7771 178.4526 198 R 3.9777 7.9230 116.6447 58.1629 30.0703 177.3365 199 L 4.1135 7.1260 117.2829 55.6633 42.8737 176.7714 200 Y 4.5917 8.0457 112.5494 57.2854 38.9412 176.6882 201 G 4.1114 7.9751 106.0186 45.4949 0.0000 174.7249 202 D 4.4730 8.7023 119.0255 56.9356 40.7724 179.3396 203 G 3.7027 8.1360 105.9884 47.8213 0.0000 175.2847 204 L 3.9557 7.9223 122.5432 57.6371 42.2419 178.5116 205 A 4.0365 7.7524 120.8255 55.3454 18.2695 179.2217 206 E 3.9779 8.7926 118.2918 59.3609 29.2597 179.3346 207 G 3.6107 8.0201 105.7108 47.5330 0.0000 175.9628 208 V 3.6467 8.2558 121.0553 65.8523 31.5134 177.6806 209 E 3.9235 8.3847 119.1678 59.3219 29.1768 178.5448 210 E 3.9596 7.7739 117.3174 59.7159 29.6051 179.1206 211 I 3.8197 7.2142 117.3418 64.3147 37.2729 177.9603 212 L 4.0377 7.7159 119.2482 58.0764 41.7421 177.7439 213 S 4.3360 8.3040 118.4971 58.7785 62.8967 174.2886 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 29 P 0.00 4.70 0.00 2.10 2.15 0.00 3.75 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 1.89 1.97 0.00 30 Y 8.99 4.24 0.00 3.18 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.68 5.12 0.00 1.67 1.75 0.00 3.08 0.00 0.00 3.38 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 32 V 9.17 4.77 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 1.00 0.00 0.00 0.48 0.00 0.00 33 D 8.78 5.43 0.00 2.52 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.82 5.20 0.00 2.96 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 35 I 9.06 4.37 1.71 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 1.11 0.64 0.66 0.00 0.00 36 L 8.40 4.14 0.00 0.97 0.52 -0.01 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.12 4.21 0.00 1.66 1.44 0.31 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.63 3.98 0.00 2.12 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 2.06 2.25 0.00 39 H 9.25 4.10 0.00 3.35 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 F 7.74 4.21 0.00 3.12 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.84 4.32 0.00 3.19 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 A 8.36 4.35 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 44 S 8.21 4.23 0.00 4.29 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.05 4.17 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 46 T 7.83 3.61 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 47 V 7.70 3.69 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 0.91 0.00 0.00 0.87 0.00 0.00 48 A 7.46 3.70 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 D 8.26 4.31 0.00 2.82 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 7.47 3.52 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 0.91 0.00 0.00 0.89 0.00 0.00 52 L 7.38 3.79 0.00 0.96 1.30 0.81 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 V 7.38 3.83 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 1.14 0.00 0.00 0.88 0.00 0.00 54 T 8.65 3.89 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 1.22 0.00 0.00 55 A 8.17 4.10 1.69 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 56 N 7.78 5.12 0.00 3.06 2.98 0.00 0.00 6.89 7.62 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 57 L 7.84 4.08 0.00 1.83 1.83 0.94 0.80 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 58 L 7.53 4.68 0.00 1.66 1.70 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 59 R 8.06 4.25 0.00 1.67 1.69 0.00 2.88 0.00 0.00 2.47 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.40 0.00 60 A 8.74 4.18 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.49 4.35 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 62 S 8.43 3.97 0.00 3.57 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 63 F 8.35 5.75 0.00 3.37 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 64 Q 9.38 4.35 0.00 1.92 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.69 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 65 F 7.27 6.07 0.00 3.29 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 66 T 8.75 4.96 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 1.25 0.00 0.00 67 P 0.00 4.98 0.00 2.04 2.29 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 2.11 2.10 0.00 68 L 9.15 5.29 0.00 1.53 1.48 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.80 4.76 0.00 3.74 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 70 L 8.61 3.92 0.00 1.59 1.68 0.59 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 71 D 8.12 4.57 0.00 2.72 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 72 G 8.00 3.75 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 0.00 73 D 8.60 5.33 0.00 2.69 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.74 5.24 0.00 1.66 1.82 0.00 3.16 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 75 V 8.57 4.47 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.87 0.00 0.00 76 L 8.61 4.84 0.00 1.81 1.48 0.93 0.90 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 77 S 8.79 4.06 0.00 2.76 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 78 D 7.87 4.34 0.00 2.57 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.63 4.30 0.00 1.57 1.63 0.87 1.42 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 80 G 8.05 3.96 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 0.00 0.00 0.00 81 L 7.13 4.49 0.00 1.74 1.59 0.90 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.68 5.24 0.00 1.85 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 83 L 8.68 4.87 0.00 1.69 1.58 1.21 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 84 V 8.39 4.36 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 0.76 0.00 0.00 0.95 0.00 0.00 85 A 8.68 4.80 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.61 4.37 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 1.20 0.00 0.00 87 E 8.64 4.43 0.00 1.96 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 2.27 2.28 0.00 88 L 8.88 4.05 0.00 1.68 1.51 0.85 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.46 4.58 0.00 3.80 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 90 A 8.99 4.04 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 91 A 8.12 4.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 A 7.55 4.37 1.25 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 0.00 0.00 93 L 7.59 4.44 0.00 1.64 1.63 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.01 3.63 0.00 1.80 1.81 0.00 1.77 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.45 1.36 7.81 95 E 7.99 4.46 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 2.25 2.24 0.00 96 L 7.65 4.43 0.00 1.85 1.49 0.93 0.83 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 97 D 8.25 4.62 0.00 1.65 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 0.00 0.00 0.00 98 L 7.31 4.94 0.00 1.82 1.44 0.98 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 99 L 8.60 4.91 0.00 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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 1.53 0.00 0.00 108 P 0.00 4.33 0.00 2.04 2.02 0.00 4.06 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.99 0.00 109 L 8.04 4.48 0.00 1.18 0.20 0.09 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 110 K 7.14 4.66 0.00 1.65 0.74 0.00 1.31 0.00 0.00 1.42 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.86 0.21 7.81 111 Y 8.60 3.83 0.00 3.27 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 0.00 112 P 0.00 4.35 0.00 2.32 2.41 0.00 3.78 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.09 0.00 113 E 8.37 4.06 0.00 2.24 2.31 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 2.47 2.45 0.00 114 L 8.36 4.05 0.00 1.91 1.81 0.56 1.02 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 0.00 115 D 8.05 4.37 0.00 2.86 2.72 0.00 0.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 G 7.81 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 0.00 0.00 0.00 143 V 7.64 4.23 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 0.76 0.00 0.00 0.93 0.00 0.00 144 L 7.56 4.56 0.00 1.59 1.67 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.14 4.36 0.00 2.72 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 D 9.12 4.50 0.00 2.71 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 0.00 147 Y 7.75 4.98 0.00 2.96 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 9.20 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.11 4.90 0.00 2.96 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 S 9.46 5.12 0.00 3.92 3.80 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 0.00 151 I 8.09 4.77 1.94 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.78 0.94 0.00 0.00 152 H 8.94 3.93 0.00 2.73 3.04 0.00 5.85 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 P 0.00 4.19 0.00 2.07 2.02 0.00 2.82 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 154 E 8.44 3.98 0.00 2.08 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 2.35 2.43 0.00 155 Q 8.02 4.56 0.00 2.24 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.58 0.00 0.00 0.00 0.00 0.00 1.96 2.08 0.00 156 R 8.01 3.89 0.00 1.90 2.00 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 157 A 7.98 4.02 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 S 8.13 4.21 0.00 4.15 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 0.00 159 L 8.23 3.93 0.00 2.06 1.99 0.84 1.10 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 0.00 160 S 7.88 4.20 0.00 4.09 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 0.00 161 E 8.12 4.13 0.00 2.18 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 2.37 2.44 0.00 162 R 8.11 4.32 0.00 1.66 1.80 0.00 3.17 0.00 0.00 2.80 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.75 0.00 163 S 7.92 4.59 0.00 3.69 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.19 0.00 2.07 2.12 0.00 3.71 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.24 0.00 165 Q 8.07 4.26 0.00 2.13 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.90 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 166 T 7.92 5.11 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 1.24 0.00 0.00 167 R 8.85 4.46 0.00 1.78 1.83 0.00 3.10 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 168 I 8.14 4.42 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.82 0.91 0.00 0.00 169 T 8.88 4.17 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 1.12 0.00 0.00 170 P 0.00 4.54 0.00 2.15 2.08 0.00 3.75 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 1.93 1.93 0.00 171 A 7.08 4.60 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 0.00 172 S 8.71 4.51 0.00 3.98 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 0.00 173 F 7.65 5.55 0.00 3.14 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 0.00 174 T 9.12 4.39 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 1.27 0.00 0.00 175 L 8.69 5.09 0.00 1.53 1.65 1.13 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.88 4.81 0.00 2.83 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 0.00 177 R 8.47 3.88 0.00 2.31 1.36 0.00 3.23 0.00 0.00 3.23 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 178 D 9.16 5.07 0.00 2.74 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 0.00 179 R 8.28 4.82 0.00 1.62 1.61 0.00 2.90 0.00 0.00 2.92 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.00 180 L 8.68 5.42 0.00 1.69 1.63 0.97 0.60 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 0.00 181 S 9.02 5.31 0.00 4.04 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 0.00 182 A 9.40 5.28 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 0.00 183 A 9.39 4.82 1.18 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 0.00 0.00 184 S 7.66 4.40 0.00 3.91 3.80 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 0.00 185 P 0.00 4.33 0.00 2.14 2.26 0.00 3.79 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 186 N 8.32 4.41 0.00 2.68 2.85 0.00 0.00 6.92 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 G 8.40 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 0.00 0.00 0.00 188 A 7.91 4.38 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *190 E 8.30 4.01 0.00 1.16 1.12 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 2.11 1.73 0.00 191 L 7.75 4.08 0.00 1.95 1.83 1.18 0.69 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 *193 L 8.04 4.29 0.00 1.84 1.70 0.84 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 194 G 8.41 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 L 7.98 3.93 0.00 1.79 1.65 0.70 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 196 V 7.80 3.91 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 1.32 0.00 0.00 1.08 0.00 0.00 197 R 8.38 4.07 0.00 2.09 2.11 0.00 3.18 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 198 R 7.92 3.98 0.00 1.82 2.13 0.00 3.30 0.00 0.00 3.21 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 199 L 7.13 4.11 0.00 0.89 0.36 0.25 0.35 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 0.00 200 Y 8.05 4.59 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 0.00 201 G 7.98 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 D 8.70 4.47 0.00 2.72 2.76 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 0.00 203 G 8.14 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 0.00 0.00 0.00 204 L 7.92 3.96 0.00 1.85 1.78 0.92 1.21 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 0.00 205 A 7.75 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 206 E 8.79 3.98 0.00 2.13 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 2.31 2.34 0.00 207 G 8.02 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 0.00 208 V 8.26 3.65 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.05 0.00 0.00 209 E 8.38 3.92 0.00 2.13 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 2.30 2.34 0.00 210 E 7.77 3.96 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.51 0.00 211 I 7.21 3.82 2.00 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 1.52 0.66 0.91 0.00 0.00 212 L 7.72 4.04 0.00 1.60 1.70 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 213 S 8.30 4.34 0.00 3.97 3.75 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 * Residues marked with a * may have inaccurate shift predictions.