NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 S 4.4306 8.3193 115.2883 58.1527 63.4726 173.7270 9 S 4.1450 8.6126 120.0499 59.2871 63.5547 172.7681 10 L 4.7732 8.0363 121.7968 51.7610 45.0542 175.7047 11 P 4.3894 0.0000 0.0000 62.4151 32.0221 177.5384 12 Q 4.0743 8.8099 123.8948 58.9791 29.1359 178.1952 13 S 4.3134 8.0713 114.3987 60.3191 63.2346 176.0885 14 F 4.2753 8.2163 125.1096 61.3945 39.3104 177.2407 15 L 3.5959 7.9122 118.0409 57.4951 40.8356 179.4369 16 L 3.9250 7.8433 119.1073 57.7377 41.4971 179.6950 17 K 3.9820 7.8689 118.0401 59.3837 31.8713 179.1391 18 C 3.8684 8.0448 117.4365 62.9379 27.9570 176.3304 19 L 3.9205 7.7963 120.0941 57.3477 41.0142 179.2366 20 E 3.9646 7.6020 118.6404 59.1250 29.5776 178.6287 21 Q 3.7626 7.9100 118.3093 58.5804 28.5836 178.7104 22 V 3.5216 7.4218 119.3837 66.1160 31.5349 178.2948 23 R 4.1153 7.5675 118.8688 58.6230 29.9768 178.6827 24 K 3.7752 8.2552 119.7718 59.9726 32.0571 178.7700 25 I 4.0384 7.9454 121.3446 63.9182 36.8470 178.4911 26 Q 4.0992 8.2881 119.1788 58.5626 28.4309 178.9177 27 G 3.5649 8.1393 107.2244 47.7000 0.0000 175.6987 28 D 4.4696 8.2017 121.4705 57.1357 40.8014 179.1470 29 G 3.6752 8.3583 106.1458 47.6195 0.0000 175.6506 30 A 4.0034 8.0515 122.4399 54.4481 18.2356 179.7442 31 A 3.8593 7.6877 119.3341 55.2201 18.4815 179.2586 32 L 3.8419 7.9650 118.8850 58.7304 42.2802 179.1544 33 Q 3.9850 8.2759 117.7751 59.1580 28.6163 179.0517 34 E 3.9692 8.1638 119.5668 59.2066 29.3842 179.3024 35 K 3.8918 8.2550 120.0606 59.3667 32.1887 178.9793 36 L 3.9321 8.1143 119.5574 57.6515 41.4953 178.6647 37 C 4.6762 8.3270 119.2577 59.1375 43.4208 175.5289 38 A 3.8470 7.9373 121.2882 54.9800 18.0221 179.0691 39 T 4.0486 7.7580 113.0727 64.9570 68.6642 175.4648 40 Y 4.9766 7.5813 115.0692 56.7517 40.4616 175.4658 41 K 4.4536 8.1123 117.6236 57.3267 30.3260 175.7821 42 L 4.5105 7.4327 120.0702 54.1077 40.5934 176.0449 43 C 5.0326 8.4994 118.5092 56.3961 38.8921 175.1619 44 H 4.6607 7.8472 118.4846 53.0285 30.2359 172.0843 45 P 4.5109 0.0000 0.0000 65.5187 30.6205 177.9435 46 E 3.9966 8.1942 117.6054 59.6595 29.4633 178.5840 47 E 4.1448 8.5103 117.9360 58.7841 29.7768 178.5372 48 L 4.3564 7.8984 117.4547 55.7726 42.0104 178.9208 49 V 3.4171 7.4894 119.0484 66.1568 31.1361 177.9488 50 L 3.9064 7.9470 117.8234 57.4079 41.4610 178.9878 51 L 4.7038 7.7463 120.0263 55.9788 41.5453 179.2537 52 G 3.6005 8.0663 106.7449 48.3831 0.0000 174.7686 53 H 4.1378 7.5258 116.1679 59.0022 29.0656 177.3930 54 S 4.0958 8.1462 115.1529 62.4856 62.6396 176.7688 55 L 3.8993 8.2445 122.0793 56.3331 41.9484 178.5051 56 G 3.6275 8.3762 105.0638 46.1754 0.0000 173.8184 57 I 3.9014 7.5964 120.6045 59.7495 37.4595 174.9824 58 P 4.5585 0.0000 0.0000 61.7632 32.4584 175.1131 59 W 5.1110 8.3620 126.7358 55.2344 32.3333 174.3259 60 A 3.7978 8.3408 130.3504 51.6764 17.6647 174.8568 61 P 4.5483 0.0000 0.0000 61.9423 32.6911 176.9495 62 L 4.3776 8.8084 128.0968 59.2332 40.9251 179.0900 63 S 3.4839 7.7865 113.1728 60.0420 60.9631 173.6214 64 S 3.6321 7.3376 122.1215 59.4338 60.0136 172.2731 65 C 4.9455 7.9064 119.9973 53.1089 41.3422 172.7603 66 P 4.2601 0.0000 0.0000 65.1394 32.5594 176.6547 67 S 3.9617 7.5104 117.1255 56.8190 63.7229 175.3850 *71 Q 4.0854 8.5962 120.9587 56.5389 29.3384 172.2637 72 L 4.2515 8.4781 126.5849 57.3154 41.3003 179.3076 73 A 3.9189 8.2033 119.8952 55.3816 18.1826 179.6583 74 G 3.4253 7.8666 103.2686 47.1330 0.0000 176.4031 75 C 4.3359 8.9313 121.6668 59.1345 43.0718 175.3951 76 L 4.0171 8.6244 122.6792 57.9956 41.3924 178.9842 77 S 4.3582 7.7456 114.0119 61.1696 63.1273 176.5004 78 Q 4.1879 7.9753 121.3908 58.4929 28.3830 178.3438 79 L 4.0940 8.5069 121.9574 58.6058 42.1453 178.5826 80 H 4.2442 8.4134 118.4695 59.2115 29.7115 177.3878 81 S 4.3788 8.7148 116.6353 61.1595 62.9701 176.4989 82 G 3.4473 8.4626 109.5456 47.6397 0.0000 175.4671 83 L 4.2322 8.1506 122.0762 57.4939 41.6652 179.5169 84 F 4.4116 8.5306 120.8190 61.1008 39.1429 177.0167 85 L 3.6127 7.9409 120.3404 58.1977 41.8170 178.5628 86 Y 4.1054 7.7816 116.8341 60.6878 37.3311 177.9809 87 Q 4.2202 8.3400 118.3310 58.1099 28.7708 178.6987 88 G 3.3873 7.2895 107.9570 47.6898 0.0000 175.6713 89 L 4.1146 7.9176 122.3965 57.6091 41.5225 179.8958 90 L 4.0230 8.0108 117.3094 57.4728 41.7486 179.1780 91 Q 4.0649 7.7485 119.1666 59.0332 28.8232 177.6485 92 A 4.1357 8.0458 120.8536 55.2772 18.7567 179.1379 93 L 3.6563 7.8600 114.5086 55.7817 41.5801 177.5789 94 E 3.8510 9.1002 118.0239 57.2200 27.5191 176.2963 95 G 3.9228 8.0617 109.7444 44.3165 0.0000 174.9572 96 I 3.5937 8.2234 124.9321 60.0423 36.3746 173.9368 97 S 4.8407 7.4322 114.1272 56.0750 64.3486 175.7810 98 P 4.2486 0.0000 0.0000 66.7592 30.3500 178.4320 99 E 3.9627 8.2723 116.1687 58.1281 29.5860 178.0829 100 L 4.5964 8.3725 118.4643 55.0066 42.8887 178.6698 101 G 3.9925 7.4509 106.7205 47.3771 0.0000 173.6281 102 P 4.2161 0.0000 0.0000 65.7987 31.2674 178.2631 103 T 3.8295 7.8767 115.6528 65.9769 68.3578 176.0920 104 L 3.9138 8.1539 122.3031 58.2741 42.1184 178.4477 105 D 4.3806 8.6897 118.2319 57.5312 41.0387 178.4694 106 T 3.8368 8.0067 116.3342 66.5335 68.6340 176.1139 107 L 3.9440 7.8057 122.0781 58.3988 41.9533 178.8977 108 Q 3.9453 8.4703 119.4704 59.3508 29.0200 178.0773 109 L 4.0618 8.0736 119.9595 58.1754 41.5410 179.4635 110 D 4.3954 8.2698 118.6893 57.2425 40.7205 178.9621 111 V 3.8405 7.9022 118.5895 65.5573 31.5428 178.0235 112 A 4.2001 8.4606 121.1617 55.2670 18.3101 179.2695 113 D 4.3870 8.4723 117.6473 57.6816 41.0093 178.6685 114 F 4.6959 8.2128 120.9015 61.5347 39.2449 177.0197 115 A 4.0049 8.2252 120.1401 55.5749 18.2453 179.4263 116 T 3.9410 8.1153 114.1504 67.2655 68.6095 176.4369 117 T 4.0338 8.6702 117.6090 67.3365 68.6562 176.3773 118 I 4.0250 8.1534 121.1130 64.3498 37.1447 178.3736 119 W 3.8878 8.5173 129.2621 60.5153 30.5271 178.1423 120 Q 3.9651 8.7733 118.5700 58.6769 28.1747 178.4159 121 Q 3.6604 8.0300 120.5986 59.3675 28.9801 177.9344 122 M 3.7346 7.5441 119.6344 58.5464 31.9566 178.7346 123 E 3.6345 7.5635 118.5834 59.1452 29.4431 179.0623 124 E 4.0643 8.0015 115.6962 58.0348 29.7793 177.8916 125 L 4.4929 7.2684 118.3132 53.4225 42.2777 176.4813 126 G 3.8224 7.5679 106.6186 46.8651 0.0000 174.5486 127 M 4.2139 8.2775 117.6232 54.5135 32.6353 176.6809 128 A 3.6225 7.2866 122.3974 50.7870 19.0757 175.7464 129 P 4.2646 0.0000 0.0000 62.6256 32.1133 176.2682 130 A 4.0980 8.8598 126.2994 55.1661 18.3790 177.5661 131 L 4.3256 7.7419 116.1914 54.3984 42.8770 176.0387 132 Q 4.4597 8.5006 125.1726 54.2068 29.8104 174.0477 133 P 4.3776 0.0000 0.0000 62.8349 31.9205 175.8826 134 T 4.7547 8.2266 112.0211 59.3084 71.3305 173.6808 135 Q 3.6887 8.9629 125.5147 56.2924 29.6948 176.3156 136 G 3.8059 7.9300 112.1739 43.9102 0.0000 173.0986 137 A 4.1320 8.1909 122.8285 51.5494 17.3451 177.3883 138 M 4.1619 8.1827 121.3970 55.1116 32.7844 175.4218 139 P 3.9096 0.0000 0.0000 62.7119 31.8948 176.5478 140 A 4.1733 7.8338 123.5283 51.4933 17.9477 177.8695 141 F 4.7026 7.9600 123.2092 56.6838 37.5433 175.8707 142 A 4.0388 7.5586 126.4672 54.5619 19.3303 179.3160 143 S 4.5931 7.6931 108.6541 56.8328 66.1263 174.8112 144 A 3.9312 8.5533 124.1720 55.7686 17.9165 179.9015 145 F 4.0162 8.1833 118.2006 61.3474 39.4334 177.2442 146 Q 3.8917 7.7085 116.5946 58.9039 28.4613 178.7911 147 R 3.6464 8.2199 119.3869 59.0851 30.0371 179.4692 148 R 3.7651 7.8985 117.6065 59.2596 30.1827 179.0462 149 A 3.8829 7.7308 120.9118 54.5663 18.1249 180.0075 150 G 3.3980 8.4239 105.1832 47.7945 0.0000 176.1089 151 G 3.5408 7.8671 108.8831 47.4977 0.0000 175.9269 152 V 3.5930 7.7298 120.6812 65.5234 31.4980 178.2158 153 L 3.9033 7.8679 118.6779 57.7763 41.5521 179.2655 154 V 3.6382 8.0492 118.3345 66.3647 31.4179 177.9444 155 A 4.0663 7.7312 120.1815 55.2724 18.0574 179.7192 156 S 4.2563 7.8734 113.6861 61.5160 62.9286 176.6997 157 H 4.6105 8.4689 119.3642 58.9219 28.5860 177.2046 158 L 2.9445 8.0317 122.5213 58.1227 41.6840 178.8114 159 Q 3.9637 8.0934 119.4539 59.2779 29.1013 178.4720 160 S 4.4569 8.1187 115.0403 61.1036 63.0565 176.2298 161 F 4.2086 8.3256 124.4148 61.2901 39.2367 176.9297 162 L 4.0130 8.3063 117.9250 56.5941 41.6337 179.0414 163 E 4.0044 7.8591 118.2688 59.0537 29.6576 179.3354 164 V 3.6390 7.6228 118.6856 65.8318 31.6445 177.9311 165 S 3.9593 7.9359 115.2198 62.0318 62.6828 176.2484 166 Y 3.9702 7.9866 121.7861 60.5859 38.4575 178.4374 167 R 3.8853 7.6096 117.8085 59.3964 30.2483 179.3807 168 V 3.5986 7.6835 112.0562 64.4630 31.5236 178.7546 169 L 3.9084 8.0133 118.7813 57.7749 41.2338 179.5424 170 R 3.6044 7.9345 117.8858 59.2899 29.9282 177.8547 171 H 4.2764 7.8544 117.4081 59.6503 30.0099 176.6781 172 L 4.1489 7.5158 118.6779 57.0299 41.8641 177.9796 173 A 3.9389 8.1303 131.0524 52.7908 17.0324 176.8421 174 Q 4.3282 8.0711 120.6570 54.2896 28.4127 174.7562 175 P 4.3991 0.0000 0.0000 62.6421 31.3155 176.8302 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 8 S 8.32 4.43 0.00 3.84 3.83 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 9 S 8.61 4.15 0.00 4.08 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 10 L 8.04 4.77 0.00 1.65 1.76 1.10 1.04 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 11 P 0.00 4.39 0.00 2.28 2.01 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 12 Q 8.81 4.07 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.93 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 13 S 8.07 4.31 0.00 4.12 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 0.00 14 F 8.22 4.28 0.00 3.16 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 15 L 7.91 3.60 0.00 1.81 1.59 0.97 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.84 3.93 0.00 1.85 1.68 0.96 0.92 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 17 K 7.87 3.98 0.00 1.91 1.83 0.00 1.70 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.45 1.85 7.81 18 C 8.04 3.87 0.00 2.80 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 19 L 7.80 3.92 0.00 1.77 1.65 0.76 -0.11 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 20 E 7.60 3.96 0.00 2.02 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 2.23 2.29 0.00 21 Q 7.91 3.76 0.00 1.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 22 V 7.42 3.52 2.21 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 1.21 0.00 0.00 1.11 0.00 0.00 23 R 7.57 4.12 0.00 1.98 1.89 0.00 3.20 0.00 0.00 3.13 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.76 0.00 24 K 8.26 3.78 0.00 1.83 1.90 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.42 1.47 7.81 25 I 7.95 4.04 2.10 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 1.59 0.93 0.97 0.00 0.00 26 Q 8.29 4.10 0.00 2.17 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.62 0.00 27 G 8.14 3.56 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 0.00 0.00 0.00 28 D 8.20 4.47 0.00 2.84 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 29 G 8.36 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 0.00 0.00 0.00 30 A 8.05 4.00 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 31 A 7.69 3.86 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 32 L 7.97 3.84 0.00 1.75 1.87 0.90 0.72 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 33 Q 8.28 3.98 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.49 0.00 34 E 8.16 3.97 0.00 2.27 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 0.00 2.30 2.29 0.00 35 K 8.25 3.89 0.00 1.92 1.91 0.00 1.42 0.00 0.00 1.59 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.37 1.40 7.81 36 L 8.11 3.93 0.00 1.74 1.77 0.91 0.79 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 37 C 8.33 4.68 0.00 3.09 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 38 A 7.94 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 39 T 7.76 4.05 3.47 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 0.32 0.00 0.00 40 Y 7.58 4.98 0.00 3.13 2.81 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 41 K 8.11 4.45 0.00 1.98 1.93 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.43 7.81 42 L 7.43 4.51 0.00 1.77 1.69 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 C 8.50 5.03 0.00 2.74 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 44 H 7.85 4.66 0.00 3.22 3.48 0.00 5.83 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.51 0.00 2.27 2.34 0.00 3.72 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 46 E 8.19 4.00 0.00 1.97 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 2.50 0.00 47 E 8.51 4.14 0.00 2.06 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 2.35 2.37 0.00 48 L 7.90 4.36 0.00 1.81 1.69 0.93 0.94 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 49 V 7.49 3.42 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 1.02 0.00 0.00 50 L 7.95 3.91 0.00 1.76 1.78 0.94 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 51 L 7.75 4.70 0.00 1.95 1.74 1.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.07 3.60 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 53 H 7.53 4.14 0.00 3.27 3.27 0.00 5.72 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.15 4.10 0.00 3.94 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 55 L 8.24 3.90 0.00 1.57 1.72 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 56 G 8.38 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.60 3.90 1.83 0.00 0.00 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 1.63 0.83 0.95 0.00 0.00 58 P 0.00 4.56 0.00 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0.00 0.00 0.00 0.00 78 Q 7.98 4.19 0.00 2.36 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.78 0.00 79 L 8.51 4.09 0.00 2.03 1.71 0.89 0.81 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 80 H 8.41 4.24 0.00 3.37 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 S 8.71 4.38 0.00 4.18 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.46 3.45 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 0.00 0.00 0.00 83 L 8.15 4.23 0.00 1.96 1.86 0.41 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 84 F 8.53 4.41 0.00 2.94 3.14 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 85 L 7.94 3.61 0.00 1.61 1.45 0.71 0.64 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 86 Y 7.78 4.11 0.00 3.08 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 87 Q 8.34 4.22 0.00 2.55 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.31 0.00 88 G 7.29 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 0.00 0.00 0.00 89 L 7.92 4.11 0.00 1.92 1.88 0.91 0.63 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 90 L 8.01 4.02 0.00 1.67 1.74 1.01 1.16 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 91 Q 7.75 4.06 0.00 2.42 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.35 2.42 0.00 92 A 8.05 4.14 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 0.00 0.00 0.00 0.00 0.00 93 L 7.86 3.66 0.00 1.75 1.51 0.72 -0.10 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 94 E 9.10 3.85 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 2.06 2.06 0.00 103 T 7.88 3.83 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 104 L 8.15 3.91 0.00 1.72 1.77 0.89 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.69 4.38 0.00 2.86 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 0.00 106 T 8.01 3.84 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 1.23 0.00 0.00 107 L 7.81 3.94 0.00 1.78 1.88 0.93 0.59 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 0.00 108 Q 8.47 3.95 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 109 L 8.07 4.06 0.00 1.88 1.75 1.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.27 4.40 0.00 3.00 2.75 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 0.00 111 V 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.38 0.00 128 A 7.29 3.62 0.45 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 0.00 0.00 129 P 0.00 4.26 0.00 2.39 2.10 0.00 3.55 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 130 A 8.86 4.10 1.30 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 0.00 0.00 131 L 7.74 4.33 0.00 1.63 1.63 0.94 0.74 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 0.00 132 Q 8.50 4.46 0.00 2.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.68 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 133 P 0.00 4.38 0.00 1.40 1.99 0.00 2.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.11 0.00 134 T 8.23 4.75 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 1.21 0.00 0.00 135 Q 8.96 3.69 0.00 1.92 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.86 0.00 0.00 0.00 0.00 0.00 2.11 2.21 0.00 136 G 7.93 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 0.00 0.00 0.00 137 A 8.19 4.13 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 0.00 138 M 8.18 4.16 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 139 P 0.00 3.91 0.00 1.01 1.73 0.00 3.60 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 2.01 0.00 140 A 7.83 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 0.00 141 F 7.96 4.70 0.00 3.05 2.88 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 0.00 142 A 7.56 4.04 1.27 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 0.00 143 S 7.69 4.59 0.00 4.11 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 0.00 144 A 8.55 3.93 1.32 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 0.00 0.00 145 F 8.18 4.02 0.00 3.11 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 7.71 3.89 0.00 2.45 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.58 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 147 R 8.22 3.65 0.00 1.91 1.86 0.00 3.09 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 148 R 7.90 3.77 0.00 1.52 1.82 0.00 2.72 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.60 0.00 149 A 7.73 3.88 0.66 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 0.00 0.00 150 G 8.42 3.40 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 0.00 151 G 7.87 3.54 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 0.00 152 V 7.73 3.59 2.02 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 1.01 0.00 0.00 0.98 0.00 0.00 153 L 7.87 3.90 0.00 1.68 1.54 0.92 0.61 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 0.00 154 V 8.05 3.64 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 1.18 0.00 0.00 0.98 0.00 0.00 155 A 7.73 4.07 1.32 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 0.00 0.00 156 S 7.87 4.26 0.00 4.02 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 0.00 157 H 8.47 4.61 0.00 3.70 3.94 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.03 2.94 0.00 1.26 1.66 0.57 0.67 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 0.00 159 Q 8.09 3.96 0.00 2.47 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.59 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 160 S 8.12 4.46 0.00 4.29 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 F 8.33 4.21 0.00 3.15 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 0.00 162 L 8.31 4.01 0.00 1.75 1.73 0.99 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 163 E 7.86 4.00 0.00 2.15 2.41 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 2.36 2.31 0.00 164 V 7.62 3.64 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 0.96 0.00 0.00 0.97 0.00 0.00 165 S 7.94 3.96 0.00 3.70 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 0.00 166 Y 7.99 3.97 0.00 3.21 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 7.61 3.89 0.00 2.18 1.96 0.00 3.19 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.93 0.00 168 V 7.68 3.60 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 1.01 0.00 0.00 0.94 0.00 0.00 169 L 8.01 3.91 0.00 1.53 1.53 0.97 0.74 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 0.00 170 R 7.93 3.60 0.00 1.37 1.80 0.00 3.26 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 171 H 7.85 4.28 0.00 3.22 3.49 0.00 6.01 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 L 7.52 4.15 0.00 1.72 1.64 0.94 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 173 A 8.13 3.94 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 Q 8.07 4.33 0.00 2.01 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.01 0.00 0.00 0.00 0.00 0.00 2.55 2.23 0.00 175 P 0.00 4.40 0.00 2.02 1.95 0.00 3.67 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.03 0.00 * Residues marked with a * may have inaccurate shift predictions.