NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2962 8.3349 115.2506 57.9993 63.5441 173.2376 5 F 4.6257 8.4950 126.0586 55.3868 40.1380 173.3468 6 P 5.0940 0.0000 0.0000 62.6980 32.8571 176.3971 7 T 4.4833 9.4712 111.5903 62.2536 70.5615 174.1203 8 R 5.3366 7.9430 122.8642 53.4237 33.8064 173.7404 9 V 4.6038 8.7940 125.5534 61.2791 34.7043 173.4557 10 Y 5.1514 8.6525 125.2905 56.2802 40.7332 174.6450 11 L 4.7770 8.9849 123.3712 52.8064 45.1194 175.1113 12 L 5.5223 8.9549 126.6981 52.1560 44.4774 175.6518 13 R 4.6281 8.9725 127.2980 56.1390 31.7699 175.4372 14 H 4.7493 8.2511 119.1012 55.3345 29.9644 174.6040 15 A 4.6815 8.5724 122.4123 51.5905 19.5673 177.0659 16 K 4.2849 8.6040 120.1086 55.5175 33.4816 174.3846 17 A 4.7541 8.4216 128.7138 52.4465 18.6178 175.9959 *26 D 4.7145 8.9928 118.9851 56.7023 42.7734 176.7894 27 F 3.7276 8.2823 120.4131 60.8877 39.3628 175.5536 28 D 4.5892 7.9633 117.1891 53.9972 41.0910 176.4772 29 R 3.9514 7.5315 120.0170 55.9546 30.3368 177.1427 30 G 3.8534 8.3116 112.0531 44.2982 0.0000 172.5656 31 L 4.1587 8.2577 120.4571 53.5423 42.2902 177.9486 32 N 4.6573 8.1466 120.6720 52.4932 37.9953 175.1563 33 E 4.2656 8.7919 115.5941 58.3960 29.9620 178.0546 34 A 4.2894 7.9041 120.8147 52.4321 20.2058 179.0197 35 G 3.4758 7.8776 103.7541 47.7502 0.0000 175.9406 36 F 4.3556 7.9033 120.1454 59.7780 38.9077 177.5220 37 A 4.0475 7.7022 119.9483 55.5004 18.0470 179.6660 38 E 3.9722 8.1783 115.3488 59.8117 29.7370 178.4831 39 A 3.8891 8.1449 119.0962 55.8214 18.2897 179.0729 40 E 3.8362 8.4898 114.0756 59.7038 29.5657 179.9167 41 I 3.6594 7.4763 119.1327 64.7126 37.1409 178.0621 42 I 3.7583 8.0679 119.7448 63.1991 37.2481 178.1885 43 A 2.7092 7.5743 121.5202 54.7201 18.1512 179.2498 44 D 4.0011 7.8805 117.4122 57.0676 40.7057 178.5536 45 L 3.7405 7.3177 120.3991 58.2810 41.9458 179.0323 46 A 4.1001 7.7401 119.7426 54.4513 18.0578 178.8788 47 A 4.1190 7.3170 117.9083 53.8189 19.2296 178.7484 48 D 4.3315 8.2675 117.7661 57.2434 40.9759 178.2749 49 R 3.9925 7.1155 115.0758 54.8795 30.6287 176.3294 50 R 3.9394 7.6175 116.3943 57.6166 28.1599 176.8136 51 Y 5.1196 8.0639 113.5180 56.2394 36.6666 176.6063 52 R 3.8114 7.6961 119.6131 53.6931 30.7257 173.8663 53 P 4.5480 0.0000 0.0000 62.4269 32.1475 176.3214 54 D 4.5321 8.7669 121.5854 57.0298 41.3288 176.7788 55 L 4.8494 7.5658 117.3420 53.3675 45.5091 175.5963 56 I 4.1786 8.9479 127.1087 59.6045 39.4990 174.4552 57 L 4.9621 8.1928 127.2689 53.1504 43.4571 175.3350 58 S 4.9526 8.5012 119.1660 55.8100 65.5502 173.3063 59 S 4.9895 8.6183 121.4674 58.2768 62.8997 174.1928 60 T 4.3347 8.7725 112.9391 61.8290 69.3663 174.3490 61 A 2.6999 7.6343 124.7997 51.0712 20.3219 178.0153 62 A 3.7051 7.3824 126.6574 55.5419 18.5312 180.9012 63 R 3.9473 7.6565 113.5535 59.1482 29.5922 178.7201 64 C 4.0640 7.8416 117.1331 62.9072 28.4767 175.6100 65 R 4.0617 8.2555 120.0293 59.8146 29.4159 179.1402 66 Q 4.2829 8.0635 116.5542 59.2175 28.8950 178.2458 67 T 4.1412 7.8780 116.6945 67.1395 68.3662 176.7041 68 T 4.0075 8.3525 117.8324 66.7810 68.2614 176.5531 69 Q 4.5052 8.3880 120.6121 58.3893 28.6946 178.9513 70 A 4.1055 7.9469 120.3644 55.1458 18.6248 179.7862 71 W 4.2134 8.4908 117.1952 59.6553 28.9228 178.8374 72 Q 4.2585 8.3371 118.0814 59.0517 27.9836 178.7929 73 R 3.9587 7.6118 117.9042 59.0513 30.2818 178.3549 74 A 4.1235 7.8322 117.7412 51.3718 18.9352 176.8848 75 F 4.6105 8.1589 112.9866 57.1832 39.0446 177.9854 *79 I 3.9248 8.7433 121.4180 61.3990 38.5281 174.3299 80 D 4.4871 8.6392 126.8976 54.3102 41.8183 175.0587 81 I 4.6214 8.3142 124.4530 59.3088 39.6231 175.1367 82 V 4.3362 9.1351 127.7935 61.1400 34.5306 173.5928 83 Y 5.0787 8.5204 124.1281 56.4282 39.8668 175.1999 84 I 4.4635 9.2761 125.7849 59.4258 39.6222 176.0679 85 D 4.7694 9.0582 127.6201 56.7873 41.3368 178.2906 86 E 4.2557 7.9590 120.0008 55.9637 28.2251 176.0978 *88 Y 4.4014 7.4830 118.2199 58.9595 40.6403 174.4093 89 N 3.7469 7.8938 123.5419 54.0383 36.3591 174.2310 90 A 4.4193 7.5604 121.0856 51.5140 19.4721 179.2132 91 R 4.0947 8.5697 119.5288 58.0149 30.0952 177.0360 92 S 4.5796 7.1072 114.0275 57.1223 64.0557 174.0652 93 E 3.9610 8.6048 124.5347 59.0943 29.6222 176.2803 94 T 4.4719 7.1984 105.9879 61.0903 71.5655 172.4978 95 Y 4.8064 8.1834 116.0006 57.9929 38.2855 177.8980 96 L 4.0353 7.6609 123.9098 58.5274 41.5877 179.7717 97 S 4.2450 8.0472 114.1979 61.1327 62.6947 176.2132 98 L 3.9870 8.0009 120.6834 58.0664 41.2733 179.2788 99 I 3.8347 7.4500 117.8608 64.3466 36.9020 178.2599 100 A 4.2779 7.8882 119.3805 54.2024 18.3974 178.9401 101 A 4.2561 7.9765 118.3764 53.3358 19.7096 178.2356 102 Q 4.3880 7.2498 116.8326 54.8367 27.2762 175.6457 103 T 4.4411 7.9351 109.6892 63.1037 69.7470 176.0142 104 E 4.5314 7.9779 120.4196 55.7366 31.0598 174.8367 105 V 4.1430 7.4671 119.0299 60.7387 33.7518 175.8344 106 Q 4.3642 8.6190 129.0833 58.8755 30.1859 176.0418 107 S 5.2080 8.1867 112.5963 57.0213 66.6493 173.6207 108 V 5.0004 8.2721 124.8812 60.2586 34.9764 173.5912 *110 L 4.2648 8.3561 118.2338 55.1375 43.5675 176.1417 111 V 4.4366 8.6876 124.7134 61.3216 32.7837 173.6787 112 G 4.2738 8.5660 119.1609 45.3195 0.0000 169.2056 113 H 5.2374 8.8776 116.5149 53.9361 32.5466 172.7473 114 N 4.9148 8.4594 118.6085 52.0442 39.6124 174.0458 115 P 4.4696 0.0000 0.0000 64.5831 32.0173 178.3733 116 T 4.0728 7.1395 116.1485 63.9547 67.9094 176.0254 *118 E 4.2354 8.3896 123.9445 56.2528 31.6627 177.5358 119 A 3.9782 8.0583 120.3904 55.5699 18.1154 179.3506 120 T 3.6820 7.3230 113.1535 66.5007 68.5964 175.8546 121 L 4.0304 7.7923 121.2580 58.6857 42.4324 178.2699 122 E 4.0812 8.3167 118.5098 59.3097 29.1535 178.2797 123 A 4.2249 7.5637 118.5236 52.7051 18.8720 178.3801 *125 I 4.0071 7.8647 122.9914 61.3563 39.1867 177.3266 126 G 4.1720 8.1382 105.4838 45.5307 0.0000 174.5158 127 E 3.8091 8.5850 117.8708 59.7770 29.5002 178.3614 128 D 4.4600 8.2382 119.2248 57.6749 40.7856 178.6667 129 L 3.4426 7.7854 120.0382 57.7129 42.1522 179.1741 130 L 3.8876 7.5738 120.4405 58.6408 41.9573 178.6942 131 H 4.2493 8.5501 115.0793 58.3208 28.5924 177.6376 132 A 4.1011 8.7707 123.2744 55.1570 18.4722 179.2475 133 A 4.1765 7.9708 118.2498 53.8366 19.6592 177.8337 134 L 4.4884 8.4027 117.6091 52.0657 42.4683 175.2123 135 P 4.2529 0.0000 0.0000 64.5544 31.7946 177.6432 136 S 4.4916 8.0338 109.8673 57.7149 63.3269 173.6142 137 G 3.7053 7.4720 107.1650 44.3335 0.0000 172.8172 138 F 4.1119 9.0579 122.4959 56.7319 39.0730 173.8354 139 P 4.4819 0.0000 0.0000 62.3133 31.8323 175.9131 140 T 4.1644 8.6603 110.4505 63.8251 68.5965 173.3857 141 S 4.5981 7.9872 118.7667 58.0285 61.8735 172.2652 142 G 3.8973 8.1493 104.5311 45.5425 0.0000 173.5998 143 L 4.9542 7.7473 123.3497 52.8531 45.0246 175.1705 144 A 4.3580 8.8823 130.2995 50.8213 20.2656 175.7784 145 V 4.3065 8.1642 123.3343 61.7239 33.6223 174.9195 146 L 5.6166 8.2511 126.6031 52.5279 46.1134 175.1654 147 D 5.8500 8.6897 121.4473 51.4965 45.4036 174.5121 148 Q 4.3224 8.5286 118.3367 55.1392 29.7815 176.8154 149 D 4.6015 8.0033 123.1166 53.9285 42.5221 176.5591 *157 N 4.6481 8.3673 117.9057 53.1962 40.2866 174.9061 158 R 4.3494 6.8556 113.9479 55.2843 33.4794 173.2709 159 W 5.2214 8.8068 124.2140 55.3446 31.1361 175.4379 160 R 4.6598 9.0197 124.9442 54.2253 32.3325 174.5040 161 L 4.4003 8.6881 128.4779 55.3843 41.6973 175.9934 162 I 4.2355 8.3298 128.4694 63.3534 38.5002 176.2040 163 D 4.6649 7.5914 118.1700 53.2298 44.5127 174.1528 164 F 5.1323 8.9627 126.8529 56.3633 42.4979 173.5123 165 L 4.9718 8.1776 125.2983 53.0173 43.9387 175.3759 166 A 5.0480 8.6258 124.6274 50.3106 22.3995 174.3363 167 P 4.7598 0.0000 0.0000 61.4609 34.1490 176.3043 168 G 3.7326 8.4557 106.7635 46.2948 0.0000 172.5714 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 4 S 8.33 4.30 0.00 3.80 3.74 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 5 F 8.49 4.63 0.00 3.34 3.06 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 6 P 0.00 5.09 0.00 2.21 2.16 0.00 3.91 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.33 0.00 7 T 9.47 4.48 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 1.03 0.00 0.00 8 R 7.94 5.34 0.00 2.00 1.80 0.00 3.02 0.00 0.00 2.25 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.91 0.00 9 V 8.79 4.60 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 0.34 0.00 0.00 10 Y 8.65 5.15 0.00 2.78 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 11 L 8.98 4.78 0.00 1.63 1.46 0.91 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.95 5.52 0.00 1.49 1.41 1.16 0.96 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 13 R 8.97 4.63 0.00 2.26 2.15 0.00 3.51 0.00 0.00 3.72 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 14 H 8.25 4.75 0.00 3.48 3.41 0.00 5.52 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.57 4.68 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 16 K 8.60 4.28 0.00 1.88 1.70 0.00 1.70 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.53 1.49 7.81 17 A 8.42 4.75 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *26 D 8.99 4.71 0.00 2.88 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 27 F 8.28 3.73 0.00 2.83 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 28 D 7.96 4.59 0.00 2.76 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 29 R 7.53 3.95 0.00 1.76 1.84 0.00 3.18 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 30 G 8.31 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 0.00 0.00 0.00 31 L 8.26 4.16 0.00 0.45 1.15 0.66 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.15 4.66 0.00 2.90 2.98 0.00 0.00 6.69 8.59 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 33 E 8.79 4.27 0.00 2.11 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 0.00 2.54 2.40 0.00 34 A 7.90 4.29 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.88 3.48 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 36 F 7.90 4.36 0.00 3.13 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 A 7.70 4.05 1.39 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 0.00 0.00 38 E 8.18 3.97 0.00 2.15 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 2.38 2.36 0.00 39 A 8.14 3.89 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.49 3.84 0.00 2.04 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 0.00 2.33 2.43 0.00 41 I 7.48 3.66 2.10 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 1.53 0.71 0.92 0.00 0.00 42 I 8.07 3.76 1.99 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 1.07 0.00 0.00 43 A 7.57 2.71 0.61 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 44 D 7.88 4.00 0.00 2.58 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 7.32 3.74 0.00 1.67 1.78 0.90 1.13 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 46 A 7.74 4.10 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 47 A 7.32 4.12 0.29 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 48 D 8.27 4.33 0.00 2.65 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 49 R 7.12 3.99 0.00 0.67 0.75 0.00 3.38 0.00 0.00 3.10 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.53 0.00 50 R 7.62 3.94 0.00 1.97 2.11 0.00 3.53 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 51 Y 8.06 5.12 0.00 3.31 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 52 R 7.70 3.81 0.00 1.89 1.90 0.00 3.44 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.00 0.00 53 P 0.00 4.55 0.00 2.19 1.91 0.00 3.36 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.33 0.00 54 D 8.77 4.53 0.00 2.78 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 55 L 7.57 4.85 0.00 1.55 1.40 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.95 4.18 1.62 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 0.89 0.54 0.59 0.00 0.00 57 L 8.19 4.96 0.00 1.39 1.42 0.83 0.61 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 58 S 8.50 4.95 0.00 3.59 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.62 4.99 0.00 4.17 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 60 T 8.77 4.33 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 1.45 0.00 0.00 61 A 7.63 2.70 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 7.38 3.71 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 63 R 7.66 3.95 0.00 1.90 2.27 0.00 2.67 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.29 0.00 64 C 7.84 4.06 0.00 3.11 2.99 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 65 R 8.26 4.06 0.00 1.95 1.94 0.00 2.91 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.57 0.00 66 Q 8.06 4.28 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.93 0.00 0.00 0.00 0.00 0.00 2.55 2.48 0.00 67 T 7.88 4.14 4.42 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 1.33 0.00 0.00 68 T 8.35 4.01 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 1.32 0.00 0.00 69 Q 8.39 4.51 0.00 2.47 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.44 0.00 70 A 7.95 4.11 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 71 W 8.49 4.21 0.00 3.50 3.35 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 72 Q 8.34 4.26 0.00 2.36 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.92 0.00 0.00 0.00 0.00 0.00 2.55 2.81 0.00 73 R 7.61 3.96 0.00 1.98 1.98 0.00 3.16 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 74 A 7.83 4.12 1.14 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 75 F 8.16 4.61 0.00 3.18 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 0.00 0.00 0.00 0.00 *79 I 8.74 3.92 1.92 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.86 0.00 0.00 80 D 8.64 4.49 0.00 2.57 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 81 I 8.31 4.62 1.79 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 1.05 0.64 0.30 0.00 0.00 82 V 9.14 4.34 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 1.03 0.00 0.00 0.87 0.00 0.00 83 Y 8.52 5.08 0.00 2.91 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 84 I 9.28 4.46 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.84 0.95 0.00 0.00 85 D 9.06 4.77 0.00 2.73 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 86 E 7.96 4.26 0.00 2.07 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 2.45 2.28 0.00 *88 Y 7.48 4.40 0.00 3.14 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 N 7.89 3.75 0.00 2.42 2.63 0.00 0.00 7.07 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 90 A 7.56 4.42 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.57 4.09 0.00 1.92 2.07 0.00 3.03 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 92 S 7.11 4.58 0.00 3.92 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 93 E 8.60 3.96 0.00 1.87 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 2.23 0.00 94 T 7.20 4.47 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 1.10 0.00 0.00 95 Y 8.18 4.81 0.00 2.98 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 96 L 7.66 4.04 0.00 1.63 1.77 0.91 0.81 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 97 S 8.05 4.25 0.00 3.89 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 98 L 8.00 3.99 0.00 1.72 1.69 0.98 0.82 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 99 I 7.45 3.83 1.97 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.07 0.88 0.00 0.00 100 A 7.89 4.28 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 0.00 101 A 7.98 4.26 1.40 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 0.00 0.00 0.00 102 Q 7.25 4.39 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.91 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 103 T 7.94 4.44 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 1.26 0.00 0.00 104 E 7.98 4.53 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 105 V 7.47 4.14 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 1.00 0.00 0.00 0.88 0.00 0.00 106 Q 8.62 4.36 0.00 2.02 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.63 0.00 0.00 0.00 0.00 0.00 2.60 2.78 0.00 107 S 8.19 5.21 0.00 4.20 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 0.00 108 V 8.27 5.00 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 0.78 0.00 0.00 0.85 0.00 0.00 *110 L 8.36 4.26 0.00 1.43 1.24 0.80 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.69 4.44 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 0.90 0.00 0.00 0.60 0.00 0.00 112 G 8.57 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.88 5.24 0.00 3.26 3.22 0.00 5.61 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.46 4.91 0.00 2.73 2.75 0.00 0.00 6.99 8.02 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 0.00 115 P 0.00 4.47 0.00 2.23 2.26 0.00 3.35 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 2.00 2.06 0.00 116 T 7.14 4.07 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 0.42 0.00 0.00 *118 E 8.39 4.24 0.00 2.23 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 0.00 2.35 2.52 0.00 119 A 8.06 3.98 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 0.00 120 T 7.32 3.68 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 0.00 121 L 7.79 4.03 0.00 1.72 2.02 1.27 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.32 4.08 0.00 2.21 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 123 A 7.56 4.22 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 I 7.86 4.01 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.93 0.00 0.00 126 G 8.14 4.17 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 0.00 127 E 8.59 3.81 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.40 0.00 128 D 8.24 4.46 0.00 2.70 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 0.00 129 L 7.79 3.44 0.00 1.76 1.68 0.93 0.50 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 0.00 130 L 7.57 3.89 0.00 1.82 1.82 0.93 0.99 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 0.00 131 H 8.55 4.25 0.00 3.14 3.32 0.00 5.72 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.77 4.10 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 0.00 133 A 7.97 4.18 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 0.00 134 L 8.40 4.49 0.00 1.60 1.48 0.48 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.25 0.00 2.00 2.08 0.00 3.57 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.03 0.00 136 S 8.03 4.49 0.00 3.95 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 0.00 137 G 7.47 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 0.00 0.00 0.00 138 F 9.06 4.11 0.00 3.08 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 0.00 139 P 0.00 4.48 0.00 2.34 2.18 0.00 3.29 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.90 0.00 140 T 8.66 4.16 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 1.28 0.00 0.00 141 S 7.99 4.60 0.00 4.20 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 0.00 142 G 8.15 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 0.00 0.00 0.00 143 L 7.75 4.95 0.00 1.83 1.44 1.02 1.82 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 0.00 144 A 8.88 4.36 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 0.00 145 V 8.16 4.31 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 0.46 0.00 0.00 0.48 0.00 0.00 146 L 8.25 5.62 0.00 1.48 1.42 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.69 5.85 0.00 2.68 2.59 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 0.00 148 Q 8.53 4.32 0.00 1.73 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.51 0.00 0.00 0.00 0.00 0.00 1.85 2.22 0.00 149 D 8.00 4.60 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 *157 N 8.37 4.65 0.00 2.62 2.82 0.00 0.00 6.92 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 0.00 158 R 6.86 4.35 0.00 1.76 1.61 0.00 3.15 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 159 W 8.81 5.22 0.00 3.24 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 R 9.02 4.66 0.00 1.91 1.82 0.00 3.11 0.00 0.00 3.32 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 161 L 8.69 4.40 0.00 1.75 1.65 1.07 1.19 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 0.00 162 I 8.33 4.24 1.88 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.61 0.96 0.00 0.00 163 D 7.59 4.66 0.00 2.77 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 0.00 164 F 8.96 5.13 0.00 3.03 2.78 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 0.00 165 L 8.18 4.97 0.00 1.68 1.62 1.20 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 166 A 8.63 5.05 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 0.00 167 P 0.00 4.76 0.00 2.22 2.14 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 168 G 8.46 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.