NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.2581 8.3149 122.1279 54.1690 32.5352 174.1627 7 K 3.9900 7.6964 124.9095 54.7276 33.5760 174.0887 8 K 5.2156 8.7040 124.2457 54.8570 36.6881 173.9440 9 L 5.3933 9.3690 128.3987 53.4628 45.2429 175.1090 10 S 5.4172 9.3316 121.9808 56.8699 66.7073 173.0896 11 I 5.0038 9.2211 124.3995 59.6611 40.9697 174.5501 12 I 4.3017 9.0115 128.7757 60.4520 38.3388 175.3388 13 V 3.9563 8.2909 129.8826 61.8434 29.9629 175.6824 14 F 4.4867 8.8929 129.8555 59.9717 40.6792 176.1042 15 S 4.3801 8.1120 112.9879 58.3907 63.3484 173.9449 16 G 4.0804 8.3898 109.4238 44.8629 0.0000 173.6379 17 T 4.3573 7.4612 110.9155 60.7299 69.8871 175.4045 18 I 3.6536 8.6257 123.3052 64.2487 37.8298 178.1227 19 D 4.5140 8.0547 118.5577 55.7211 39.2644 177.7100 20 K 4.2785 7.3132 118.3243 57.6927 32.8333 178.2085 21 L 3.5800 7.6262 120.4978 54.0577 41.4961 177.4573 *23 P 4.3340 0.0000 0.0000 62.6522 33.8087 179.3981 24 V 3.6750 7.5670 116.1258 66.0594 31.2679 178.3611 25 G 3.8481 8.3216 105.3915 47.9580 0.0000 175.8026 26 I 3.8524 7.8219 121.8519 64.0792 37.1671 178.3809 27 L 3.9860 8.6229 120.1609 58.0456 41.3983 179.6934 28 T 3.8887 8.0835 115.6197 66.6618 68.4650 176.6051 29 S 4.2090 8.4224 115.2237 61.4280 62.4744 176.4554 30 G 3.5850 8.2781 108.1768 47.6224 0.0000 175.4923 31 A 3.7004 8.2888 123.4816 54.7930 18.4294 179.4873 32 A 4.1795 8.4139 119.4680 55.5079 18.2461 179.7796 33 A 4.0774 8.0137 117.9682 54.9414 18.4816 179.0317 34 S 4.6308 7.8533 111.4654 58.5315 63.0843 175.0697 35 G 3.9666 8.0167 110.0196 45.5978 0.0000 173.4143 36 Y 4.4461 7.9948 116.6971 57.2689 38.9891 174.9441 37 E 4.4842 9.0331 124.3649 55.9094 31.2524 175.3764 38 V 5.1018 9.1028 126.6075 61.2026 35.0455 173.6923 39 N 5.7451 9.3829 124.5584 51.5854 41.9377 173.2102 40 L 5.2514 9.5002 123.9156 52.8661 45.1213 175.3332 41 F 5.1193 8.7682 125.9936 56.3328 41.5955 173.6582 42 F 4.7321 9.3026 126.8414 56.9566 40.1034 175.2115 43 T 4.6966 8.4184 117.6613 59.8007 71.6712 177.8040 44 F 3.1839 8.7658 124.8125 58.0535 38.9713 179.5411 45 W 4.4528 7.0430 132.1994 60.3681 28.2232 177.6356 46 G 3.6941 7.8511 105.4524 47.4779 0.0000 175.3085 47 L 4.1356 7.7470 122.2491 58.0065 42.2340 178.5010 48 Q 3.8569 7.8528 119.2024 59.2498 28.7323 178.3182 49 A 4.2788 7.7993 120.1681 53.9881 18.5375 178.5112 50 I 4.3153 7.4079 110.9615 60.3512 38.2699 175.4512 51 T 4.4778 7.2994 111.9595 61.4781 70.9313 175.4631 52 K 3.8303 9.0536 126.1334 60.4513 31.8960 180.4766 53 R 3.9832 7.9921 121.7019 62.2726 29.5378 181.3086 54 S 4.5105 8.1482 119.7396 63.0940 62.0937 178.3489 55 L 4.1221 7.8959 121.8865 57.2897 41.4277 178.5788 56 N 4.5290 8.0214 113.9369 52.8242 39.2534 175.6081 57 S 4.1223 7.1561 118.4740 59.3459 62.8736 174.7434 58 Q 4.2452 8.6333 126.4964 56.7015 28.5870 175.8088 59 Q 4.2343 7.6972 115.6409 54.5538 28.6428 180.0946 60 P 4.4137 0.0000 0.0000 61.2064 31.8414 174.3408 61 P 4.3880 0.0000 0.0000 64.3510 31.9869 175.9250 62 Q 4.5058 8.5766 121.6515 54.6803 29.5341 175.2139 63 I 4.4665 8.2667 125.4205 58.9045 39.0192 175.5415 64 D 4.3464 8.9711 124.5298 54.6038 41.3933 177.8392 65 K 3.8747 8.7488 125.9935 59.5054 32.2400 178.0112 66 N 4.2605 8.6753 115.8139 55.4715 38.3641 174.9061 67 Y 4.9048 7.5758 115.7406 57.3049 39.2716 176.7893 68 E 4.0916 8.9376 123.2287 60.6330 29.5634 180.7430 69 Q 3.9752 8.1808 113.6431 55.7102 28.0773 179.7993 *71 G 4.1213 8.2140 108.0503 45.9770 0.0000 173.2250 72 P 4.3145 0.0000 0.0000 65.3745 31.9193 176.2103 73 I 3.7253 7.6486 120.9641 61.0836 36.9114 176.0845 *76 Q 4.1795 8.0194 126.4109 56.8598 30.9706 177.8537 77 K 4.0574 7.7940 116.8796 54.9067 31.1035 179.5739 *79 Q 4.4613 8.0964 120.2636 57.1389 30.2239 176.4194 80 E 4.1259 7.9827 116.9617 56.5310 28.8688 176.7981 *82 K 4.1698 7.8320 113.9439 55.6456 33.4690 175.7634 83 Y 4.0581 8.1029 119.6200 56.7768 40.4491 174.3098 84 P 4.7598 0.0000 0.0000 61.6936 31.3078 177.6210 *86 W 5.1087 8.7815 121.7111 57.7075 29.8492 177.2759 87 H 3.7240 6.2787 114.7049 57.9521 27.7046 177.5173 88 Q 3.8718 7.3507 120.4388 58.6556 28.5937 178.2718 89 L 3.9967 7.8007 119.6393 57.6963 41.7125 179.6354 90 V 3.7065 7.8714 117.9713 66.1061 31.4400 177.9487 91 Q 4.1266 8.3487 119.3840 59.3791 28.9236 178.1274 92 Q 4.0089 8.5542 119.3083 58.8308 28.6863 178.6268 93 A 4.0507 8.1325 121.9063 55.1541 18.2066 179.7797 94 K 4.0002 7.9766 116.0114 59.7061 32.1498 179.1232 95 E 4.1518 7.8344 118.1048 59.2705 29.4671 179.0848 96 I 4.0991 7.7821 119.2418 65.2942 37.8268 175.6162 97 G 4.0590 8.8464 108.6980 44.6176 0.0000 172.2080 98 E 4.4875 8.6657 120.0174 54.5625 29.8544 175.0171 99 V 4.9995 8.1265 123.9760 60.5451 34.4116 174.2542 100 K 4.7125 9.2029 126.9496 54.4878 35.7193 175.0758 101 V 4.7085 9.2457 125.1553 61.1824 33.6883 174.2500 102 F 5.5343 9.7617 126.5686 55.7068 42.4336 174.1445 103 A 4.8619 8.8127 123.9725 50.0739 20.8636 175.5948 104 C 4.5058 8.2826 123.1726 59.0104 31.7982 174.6943 105 S 4.4128 8.8695 122.6795 61.7022 63.3137 176.1433 106 T 3.7611 7.9633 117.6938 66.5936 68.5479 178.2707 107 T 3.0834 6.6099 113.8133 60.8855 68.0833 176.2323 *109 E 4.2585 8.3670 122.3936 57.7484 31.6350 178.5131 110 F 4.1645 7.7751 115.7449 60.2988 38.8500 176.3300 111 F 4.7950 8.1624 115.8818 56.4000 39.0495 175.7468 112 G 4.0116 7.6365 108.1646 46.5577 0.0000 173.9562 113 I 4.2814 7.8319 119.0152 59.6703 38.7066 175.8194 114 K 4.6844 8.5377 123.4887 54.2453 34.8340 177.4857 115 R 3.9205 8.6286 119.7289 59.7481 30.0839 179.2207 116 E 4.0759 8.0751 115.5198 59.0050 29.7960 177.5607 117 D 4.5250 8.2978 118.1475 55.4003 41.3300 176.2822 118 L 4.6864 7.4084 119.0851 53.0336 43.0444 176.5121 119 A 4.0075 8.4332 124.4004 52.3718 18.7858 178.8778 120 E 4.0239 8.5908 121.5207 58.8985 29.8730 177.8521 121 F 4.5057 8.1479 111.2887 57.3271 38.3091 175.4043 122 V 3.5437 7.7920 123.0229 63.1768 31.7387 175.3194 123 D 4.5420 8.8307 127.7922 56.9223 41.6325 175.9477 124 D 4.5702 7.5067 114.9133 53.5522 44.9200 174.2630 125 V 4.9064 8.5025 122.1271 61.4054 33.3189 174.9671 126 V 4.6648 9.0883 120.1404 60.0512 36.9734 174.5598 127 G 4.2598 8.5530 109.4513 45.1897 0.0000 175.5380 128 V 3.4230 8.4521 119.2856 64.6632 31.3033 178.3040 129 A 3.9296 7.9203 120.9904 55.1167 18.1354 179.5459 130 T 3.7193 7.7733 113.8298 66.6503 68.5585 176.5276 131 F 3.6018 7.7164 122.6870 60.9073 39.2382 177.1955 132 L 3.8606 7.9123 118.7231 57.9736 41.1579 179.3173 133 D 4.2672 7.8554 117.8443 57.4268 40.8068 178.7872 134 R 3.8787 7.1767 117.1905 58.9264 30.2920 178.6515 135 A 4.1668 7.5291 121.6474 52.5672 18.3309 177.2048 136 E 3.9668 7.0300 118.3575 58.1699 29.8899 177.3109 137 G 3.9336 9.2353 114.5740 44.8319 0.0000 172.2316 138 G 4.3805 7.4008 105.9284 44.4041 0.0000 172.5607 139 T 4.4676 8.4280 116.4281 63.6131 69.6534 174.5962 140 T 5.2389 8.4886 121.7303 61.8712 72.2178 173.2421 141 L 4.9588 9.0446 125.0374 52.8195 46.1399 175.2452 142 F 5.1729 8.9425 123.8640 56.6541 41.3300 175.1504 143 I 4.2093 8.2490 126.7051 61.3893 37.5551 175.6832 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 6 K 8.31 4.26 0.00 1.79 1.72 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.04 7.81 7 K 7.70 3.99 0.00 0.85 0.74 0.00 1.71 0.00 0.00 1.78 0.00 0.00 2.76 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.53 1.07 7.81 8 K 8.70 5.22 0.00 1.78 1.59 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.47 7.81 9 L 9.37 5.39 0.00 1.78 1.53 0.98 0.83 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 10 S 9.33 5.42 0.00 3.77 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 11 I 9.22 5.00 1.85 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 1.26 0.91 0.88 0.00 0.00 12 I 9.01 4.30 1.97 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.92 1.05 0.00 0.00 13 V 8.29 3.96 1.13 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 0.62 0.00 0.00 0.27 0.00 0.00 14 F 8.89 4.49 0.00 2.66 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 15 S 8.11 4.38 0.00 3.90 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.39 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 0.00 0.00 0.00 17 T 7.46 4.36 4.45 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 1.18 0.00 0.00 18 I 8.63 3.65 1.91 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.24 0.96 0.00 0.00 19 D 8.05 4.51 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 20 K 7.31 4.28 0.00 1.77 1.82 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.40 1.47 7.81 21 L 7.63 3.58 0.00 1.02 0.13 0.51 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 *23 P 0.00 4.33 0.00 2.18 2.11 0.00 3.59 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 2.00 2.04 0.00 24 V 7.57 3.67 2.25 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 1.07 0.00 0.00 0.84 0.00 0.00 25 G 8.32 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 26 I 7.82 3.85 1.93 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 1.86 0.80 0.98 0.00 0.00 27 L 8.62 3.99 0.00 1.72 1.71 0.92 0.84 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 28 T 8.08 3.89 4.51 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 1.30 0.00 0.00 29 S 8.42 4.21 0.00 4.01 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 30 G 8.28 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 8.29 3.70 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 32 A 8.41 4.18 1.43 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 0.00 0.00 0.00 33 A 8.01 4.08 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 34 S 7.85 4.63 0.00 4.24 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 35 G 8.02 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 Y 7.99 4.45 0.00 2.90 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 37 E 9.03 4.48 0.00 2.09 1.85 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 2.36 2.31 0.00 38 V 9.10 5.10 2.17 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 1.14 0.00 0.00 1.02 0.00 0.00 39 N 9.38 5.75 0.00 2.75 3.02 0.00 0.00 6.54 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 40 L 9.50 5.25 0.00 1.74 1.36 1.13 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.77 5.12 0.00 1.51 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 0.00 0.00 0.00 42 F 9.30 4.73 0.00 2.85 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.42 4.70 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 1.46 0.00 0.00 44 F 8.77 3.18 0.00 2.87 1.45 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 45 W 7.04 4.45 0.00 3.38 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 46 G 7.85 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.75 4.14 0.00 1.86 1.79 0.91 0.50 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 48 Q 7.85 3.86 0.00 2.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 49 A 7.80 4.28 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 I 7.41 4.32 1.88 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.66 0.62 0.00 0.00 51 T 7.30 4.48 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 52 K 9.05 3.83 0.00 1.73 1.86 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.38 1.53 7.81 53 R 7.99 3.98 0.00 1.91 1.85 0.00 3.27 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.27 0.00 54 S 8.15 4.51 0.00 3.74 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 55 L 7.90 4.12 0.00 1.44 1.49 0.56 0.68 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 56 N 8.02 4.53 0.00 2.65 2.81 0.00 0.00 6.97 7.12 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 57 S 7.16 4.12 0.00 3.90 3.87 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 58 Q 8.63 4.25 0.00 2.11 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.70 0.00 0.00 0.00 0.00 0.00 2.25 1.91 0.00 59 Q 7.70 4.23 0.00 2.10 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.17 0.00 60 P 0.00 4.41 0.00 2.18 2.10 0.00 3.76 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 61 P 0.00 4.39 0.00 2.14 2.21 0.00 3.78 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 2.04 2.07 0.00 62 Q 8.58 4.51 0.00 1.76 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.02 0.00 0.00 0.00 0.00 0.00 2.30 1.95 0.00 63 I 8.27 4.47 1.89 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 1.26 0.98 0.00 0.00 64 D 8.97 4.35 0.00 3.08 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 65 K 8.75 3.87 0.00 1.72 1.82 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.63 1.43 7.81 66 N 8.68 4.26 0.00 2.05 1.87 0.00 0.00 6.77 7.44 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 67 Y 7.58 4.90 0.00 2.89 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 68 E 8.94 4.09 0.00 1.95 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 69 Q 8.18 3.98 0.00 2.07 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.29 1.95 0.00 *71 G 8.21 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 0.00 0.00 0.00 72 P 0.00 4.31 0.00 2.19 2.21 0.00 3.89 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 2.00 2.01 0.00 73 I 7.65 3.73 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.54 0.90 0.00 0.00 *76 Q 8.02 4.18 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 7.22 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 77 K 7.79 4.06 0.00 1.84 1.67 0.00 1.89 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.25 7.81 *79 Q 8.10 4.46 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.69 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 80 E 7.98 4.13 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.29 0.00 *82 K 7.83 4.17 0.00 1.81 1.86 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.45 7.81 83 Y 8.10 4.06 0.00 2.96 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 84 P 0.00 4.76 0.00 1.97 1.37 0.00 2.84 0.00 0.00 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.89 0.00 *86 W 8.78 5.11 0.00 3.85 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 87 H 6.28 3.72 0.00 2.64 1.80 0.00 5.65 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.35 3.87 0.00 1.96 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.94 0.00 0.00 0.00 0.00 0.00 2.30 2.05 0.00 89 L 7.80 4.00 0.00 1.99 1.92 1.15 0.80 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 90 V 7.87 3.71 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 1.16 0.00 0.00 1.37 0.00 0.00 91 Q 8.35 4.13 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 92 Q 8.55 4.01 0.00 2.18 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 93 A 8.13 4.05 1.47 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 0.00 0.00 94 K 7.98 4.00 0.00 1.97 1.92 0.00 1.64 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.64 1.76 7.81 95 E 7.83 4.15 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 96 I 7.78 4.10 2.02 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 1.47 0.35 0.94 0.00 0.00 97 G 8.85 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 0.00 0.00 0.00 98 E 8.67 4.49 0.00 2.13 1.89 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 2.33 2.39 0.00 99 V 8.13 5.00 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 0.93 0.00 0.00 1.00 0.00 0.00 100 K 9.20 4.71 0.00 1.83 1.25 0.00 1.58 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.45 1.58 7.81 101 V 9.25 4.71 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 0.57 0.00 0.00 0.59 0.00 0.00 102 F 9.76 5.53 0.00 3.34 3.19 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 0.00 103 A 8.81 4.86 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 0.00 104 C 8.28 4.51 0.00 2.23 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 S 8.87 4.41 0.00 4.03 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 0.00 106 T 7.96 3.76 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 0.46 0.00 0.00 107 T 6.61 3.08 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 0.59 0.00 0.00 *109 E 8.37 4.26 0.00 2.17 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 2.28 2.28 0.00 110 F 7.78 4.16 0.00 2.37 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.16 4.79 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 G 7.64 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.83 4.28 1.89 0.00 0.00 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 1.43 0.70 0.91 0.00 0.00 114 K 8.54 4.68 0.00 1.91 1.81 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.36 1.24 7.81 115 R 8.63 3.92 0.00 1.87 2.01 0.00 3.14 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 116 E 8.08 4.08 0.00 1.93 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.39 0.00 117 D 8.30 4.53 0.00 2.80 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 0.00 118 L 7.41 4.69 0.00 1.78 1.59 0.91 0.80 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 0.00 119 A 8.43 4.01 1.13 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 0.00 0.00 0.00 120 E 8.59 4.02 0.00 2.15 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 2.29 1.87 0.00 121 F 8.15 4.51 0.00 3.13 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 0.00 122 V 7.79 3.54 2.09 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 0.80 0.00 0.00 0.95 0.00 0.00 123 D 8.83 4.54 0.00 2.19 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.51 4.57 0.00 2.85 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 0.00 125 V 8.50 4.91 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.96 0.00 0.00 126 V 9.09 4.66 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 0.91 0.00 0.00 1.09 0.00 0.00 127 G 8.55 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 0.00 128 V 8.45 3.42 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 0.83 0.00 0.00 0.86 0.00 0.00 129 A 7.92 3.93 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 0.00 130 T 7.77 3.72 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 1.14 0.00 0.00 131 F 7.72 3.60 0.00 2.46 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 L 7.91 3.86 0.00 1.78 1.64 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 133 D 7.86 4.27 0.00 2.69 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 0.00 134 R 7.18 3.88 0.00 1.27 1.70 0.00 2.89 0.00 0.00 2.55 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.55 0.00 135 A 7.53 4.17 1.13 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 0.00 0.00 0.00 136 E 7.03 3.97 0.00 1.82 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 2.29 2.23 0.00 137 G 9.24 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.40 4.38 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 0.00 139 T 8.43 4.47 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 140 T 8.49 5.24 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 1.35 0.00 0.00 141 L 9.04 4.96 0.00 1.60 1.55 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 142 F 8.94 5.17 0.00 2.99 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 0.00 143 I 8.25 4.21 1.75 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 1.09 0.66 0.87 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.