NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2925 8.3645 123.5906 51.8332 20.5051 177.4809 2 R 4.3453 8.7033 113.5744 53.3717 29.5398 179.7589 3 G 4.1029 7.5304 107.8475 46.0548 0.0000 173.1105 4 C 4.5704 7.9481 120.0843 55.5572 42.5241 172.3024 5 H 4.8147 8.3523 123.9063 53.3756 29.1225 173.2619 6 I 4.7236 7.8097 113.6099 60.2409 39.1946 178.1915 7 A 4.0714 7.9622 124.7233 54.7705 18.3265 178.8952 8 Q 4.0064 7.7404 112.2294 57.6390 28.8463 176.6363 9 F 4.9504 7.8306 117.0995 57.4005 39.4709 176.8183 10 K 4.1809 8.0044 123.1189 58.9524 31.8158 178.2219 11 S 4.6732 7.9096 109.6595 56.9360 65.7413 175.3701 12 L 3.5562 7.5506 119.9444 55.3462 40.5741 177.8824 13 S 4.6442 8.2873 118.1625 57.0282 65.6799 174.3414 14 P 4.3359 0.0000 0.0000 65.5703 30.9339 178.5736 15 Q 3.9715 7.9917 118.3353 59.3004 28.9450 178.1203 16 E 4.0388 8.1507 118.7771 59.5616 29.6496 179.2419 17 L 4.2695 8.2772 118.9623 58.0439 41.5582 179.7401 18 Q 4.0393 8.1049 117.7484 58.9119 28.6601 178.5748 19 A 3.9653 7.7476 121.9805 55.1925 18.3628 179.7659 20 F 4.1586 8.6577 116.8085 60.2773 38.9730 177.9483 21 K 4.0318 8.5444 119.8021 59.7800 32.1101 179.2303 22 R 3.9815 8.4855 118.5097 58.9629 29.8573 178.9555 23 A 3.9951 7.9681 120.8223 55.0902 18.4429 179.5979 24 K 3.9597 8.7212 118.5002 59.6695 32.3576 178.8091 25 D 4.3755 8.2770 119.0666 57.3498 40.8419 178.6236 26 A 4.0411 8.1726 121.2774 54.9209 18.3396 179.5821 27 L 3.9184 8.1391 117.6075 58.1966 41.8517 179.4650 28 E 4.0405 8.2907 118.3195 59.6414 29.1917 179.1762 29 E 3.9698 7.9204 117.8779 59.3171 28.4991 178.5430 30 S 4.2422 8.0115 112.7872 61.3253 62.2253 176.1228 31 L 4.2905 7.9418 121.7864 57.5235 41.0548 179.0019 32 L 4.0706 7.5665 118.4669 57.1084 42.4519 179.3692 33 L 4.7002 7.1796 117.7178 54.0725 40.5378 174.9301 34 K 4.4520 7.4847 116.8707 57.3070 35.5619 175.1771 35 D 4.5780 8.7835 116.1883 56.9618 39.4977 177.2672 36 C 4.1606 7.8710 121.3139 60.6292 28.4790 170.5954 37 K 4.5759 8.0594 122.2950 56.6086 34.9738 175.7391 38 C 4.7924 8.6336 117.9412 57.2874 41.5415 173.1379 39 R 4.2827 8.8497 117.7198 56.6688 31.3747 176.6045 40 S 4.6717 8.0871 112.0145 56.8229 67.0778 173.3272 41 R 4.4576 8.3277 121.1018 55.1485 30.8111 176.9367 42 L 3.8599 8.4276 123.3807 56.4464 42.2519 177.3067 43 F 5.1012 7.4858 116.1350 54.5391 39.1872 172.1716 44 P 4.5226 0.0000 0.0000 62.4063 32.1445 178.2910 45 R 4.1738 8.7829 122.1074 59.2430 30.3429 178.2816 46 T 4.0214 8.0052 107.4408 63.7776 69.1180 174.6110 47 W 4.3595 7.8885 131.8954 56.5688 31.6072 174.6638 48 D 4.7022 7.2837 123.0929 52.2442 44.1692 175.8747 49 L 3.6674 8.2499 123.8399 57.6677 41.8637 179.8390 50 R 3.9370 7.5493 116.5482 58.7591 30.1655 178.1025 51 Q 3.8904 7.2820 116.3387 58.4502 28.7383 176.9620 52 L 4.2201 7.0462 116.5433 53.8539 42.6479 176.6678 53 Q 4.2514 8.1931 118.7277 55.5495 29.3149 177.9089 54 V 3.6414 8.4540 113.8857 64.7490 31.3364 178.8584 55 R 4.1020 7.9549 113.3934 57.9649 29.9548 177.2761 56 E 4.5686 8.0262 118.2425 56.4906 30.4118 178.0085 57 R 3.9459 7.6623 118.8635 58.8097 30.0911 176.8390 58 P 4.2862 0.0000 0.0000 65.6151 31.2723 178.7545 59 V 3.6077 7.8452 116.1800 65.9455 31.4800 177.6885 60 A 4.4665 8.1097 120.4474 55.4165 18.2244 179.3275 61 L 4.0461 8.5097 119.2565 58.2240 42.0243 178.7767 62 E 3.9170 8.5133 119.2870 59.1935 29.6812 178.7485 63 A 3.9047 8.2966 120.8141 55.1416 18.3661 179.0364 64 E 3.9995 8.6388 118.2105 59.4386 29.7187 178.9228 65 L 3.9115 8.3658 120.2497 58.2645 42.3852 178.7339 66 A 4.0850 8.2206 120.9583 54.8910 18.2384 179.2273 67 L 3.7995 7.7994 118.6945 58.6890 42.1346 179.1754 68 T 3.8398 7.6800 113.0006 65.1304 66.8732 175.8448 69 L 3.8839 8.4730 122.3005 57.3019 41.8462 178.8157 70 K 3.9560 7.7652 119.6193 59.3055 32.4080 178.5293 71 V 3.5405 7.7320 118.4300 66.2113 31.1977 178.0612 72 L 3.9688 8.2449 118.7382 57.7593 41.2835 179.0265 73 E 3.9276 7.5544 116.4342 59.4278 29.7087 179.0603 74 A 4.1265 8.2246 120.7068 55.5112 18.5070 179.6000 75 T 3.7872 7.8484 113.9348 66.8892 68.4443 176.4516 76 A 4.2502 8.1462 120.2372 54.1150 18.3633 178.2505 77 D 4.6026 7.8125 116.4781 56.2452 41.8171 178.6670 78 T 4.2780 7.7015 115.0598 64.8683 69.8618 174.3039 79 D 4.8188 8.3808 122.5352 50.9405 41.3148 174.0015 80 P 4.2824 0.0000 0.0000 64.9477 31.6656 177.6402 81 A 4.0162 7.7291 118.6816 55.0780 18.1775 179.3945 82 L 4.1797 8.2989 118.8891 57.8396 42.0682 179.1879 83 G 3.6037 7.8800 105.0081 47.1340 0.0000 175.0689 84 D 4.5077 7.5958 118.6933 56.0925 40.9601 177.8193 85 V 4.0316 7.3932 117.3657 64.6949 32.7350 177.1716 86 L 4.1324 8.2121 118.0877 56.9482 40.9837 177.7351 87 D 4.2412 7.8775 118.0638 58.2950 41.0565 178.1243 88 Q 3.9797 7.8019 118.4320 58.6177 29.4092 176.4619 89 P 3.5246 0.0000 0.0000 65.6644 31.3217 178.2367 90 L 3.9956 7.8859 117.2937 58.2538 41.4453 179.4315 91 H 4.2402 7.8985 115.2425 59.2278 28.6916 177.9692 92 T 3.9784 7.8796 117.0606 66.6432 68.0746 176.3093 93 L 3.9793 8.7623 122.5590 58.6455 42.0246 178.8725 94 H 4.1958 8.7847 116.4311 59.0757 28.5911 177.1640 95 H 4.2433 8.4825 120.4683 59.3650 29.6314 177.3478 96 I 3.0672 7.8191 114.7811 63.3286 37.2995 178.0989 97 L 3.8472 7.4324 122.1858 57.8808 41.7119 178.7699 98 S 4.0666 8.2239 112.2809 61.5720 62.5894 175.6645 99 Q 4.1782 8.1686 120.8491 58.9420 28.4486 178.6851 100 L 3.9376 8.0269 121.2325 58.4915 42.1351 179.1391 101 R 3.9492 8.1523 117.5526 59.3377 29.8058 178.4180 102 A 4.2506 7.7356 118.1585 53.8268 18.5628 177.7811 103 C 4.6349 8.2418 114.0034 57.0937 41.0761 172.5855 104 I 4.7080 7.4902 120.1504 59.6455 40.5208 174.1881 105 Q 4.2612 8.6234 116.3075 57.8845 31.4811 177.1096 *116 G 4.0751 8.0668 105.5992 45.5409 0.0000 174.7141 117 R 4.2605 7.8390 115.2775 57.3484 30.3664 178.1655 118 L 4.3362 7.9073 120.5075 58.4484 42.1498 177.4919 119 H 4.0944 8.4812 117.8005 59.8962 29.6378 176.3287 120 H 4.1697 8.3730 119.1375 58.8856 29.8488 176.7379 121 W 4.0009 7.8123 127.1577 60.3350 30.4869 177.4585 122 L 3.7436 7.9457 117.3326 57.1572 39.8952 177.9339 123 H 4.1778 7.3992 119.7379 58.9272 29.8951 176.8996 124 R 3.6127 7.5117 119.3484 58.9642 29.9607 178.0999 125 L 3.7394 7.0978 118.5785 57.2625 41.3981 178.9736 126 Q 3.8246 7.2620 118.7324 58.1528 28.7861 176.6403 127 E 4.2538 7.9054 118.4048 55.9503 29.6387 177.3877 128 A 3.7061 7.3045 121.3850 55.3101 18.3897 178.0208 129 P 4.3770 0.0000 0.0000 63.9156 31.3447 176.9180 130 K 4.6401 7.2589 116.0984 56.0945 33.0513 176.8746 131 K 4.3762 8.4994 120.3835 56.8220 34.3828 175.9038 132 E 4.7372 7.8040 116.1325 53.9024 32.4050 176.1728 133 S 4.3759 8.1588 115.5469 57.6642 65.5074 173.5824 134 P 4.2879 0.0000 0.0000 65.6319 31.1826 179.2355 135 G 4.1569 7.9317 105.7336 47.0039 0.0000 176.3273 136 C 4.3482 7.7882 120.5268 59.4135 37.8422 175.6444 137 L 3.8846 8.0214 120.6782 57.9216 41.0410 179.2079 138 E 3.9354 8.0858 118.3177 58.5381 29.3057 178.6355 139 A 3.4627 7.2351 119.7125 54.8312 18.9204 179.3779 140 S 4.1335 7.9449 113.6416 62.0224 62.7510 177.2317 141 V 3.7517 7.5003 112.4513 63.3140 31.7488 178.5214 142 T 4.0918 7.0066 116.3974 66.5774 68.2625 177.0387 143 F 4.5979 7.8102 118.3218 60.2623 39.2642 175.9040 144 N 4.5574 8.0058 117.6441 53.9590 39.1567 175.9366 145 L 3.7492 7.3883 119.1986 59.2075 41.8893 178.3165 146 F 3.9338 8.2064 119.2756 61.5373 39.4666 177.0829 147 R 3.8788 8.2741 117.5925 59.4291 29.6890 178.0476 148 L 3.9143 7.7463 120.1486 58.0418 41.8841 178.9243 149 L 3.7764 7.5848 118.2054 57.2244 41.6714 178.0359 150 T 4.0702 7.5351 108.7862 63.4979 69.6545 177.0040 151 R 3.7756 7.3039 121.1662 58.5502 30.3904 178.3909 152 D 4.3081 8.5308 118.8490 57.2454 41.0020 178.5337 153 L 3.9253 7.9727 120.9073 58.2292 41.8855 178.3698 154 N 4.2753 7.6324 115.2648 56.9513 38.9977 175.4994 155 C 4.3490 8.2458 119.7739 59.7729 41.9301 175.7984 156 V 3.4738 7.6502 119.5481 65.5364 30.9453 177.2845 157 A 4.3509 7.8822 118.1823 53.4116 18.7013 178.3396 158 S 4.5960 7.8764 113.1122 56.3686 64.0157 175.7605 159 G 3.8024 8.1488 109.8696 46.3320 0.0000 175.7508 160 D 4.4449 8.7749 123.6116 57.1175 40.6451 177.4633 161 L 4.2433 7.8053 116.7697 55.0631 41.0689 176.5909 162 C 4.8018 7.8027 120.6060 54.5927 43.3922 174.3295 163 V 3.9298 7.9484 116.8159 60.9038 31.3655 176.1213 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 1 A 8.36 4.29 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 2 R 8.70 4.35 0.00 1.92 1.80 0.00 3.40 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.26 0.00 3 G 7.53 4.10 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 0.00 4 C 7.95 4.57 0.00 2.92 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 5 H 8.35 4.81 0.00 3.12 3.16 0.00 5.90 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 I 7.81 4.72 2.13 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 1.42 1.41 1.06 0.00 0.00 7 A 7.96 4.07 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 8 Q 7.74 4.01 0.00 1.78 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.13 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 9 F 7.83 4.95 0.00 3.13 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 10 K 8.00 4.18 0.00 1.70 1.87 0.00 1.67 0.00 0.00 1.75 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.50 7.81 11 S 7.91 4.67 0.00 3.95 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 12 L 7.55 3.56 0.00 1.84 0.84 0.89 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.29 4.64 0.00 3.86 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 P 0.00 4.34 0.00 2.23 2.12 0.00 3.68 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 2.14 2.17 0.00 15 Q 7.99 3.97 0.00 2.20 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 16 E 8.15 4.04 0.00 2.28 2.28 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 2.49 2.50 0.00 17 L 8.28 4.27 0.00 1.80 1.87 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 8.10 4.04 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 19 A 7.75 3.97 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 20 F 8.66 4.16 0.00 3.33 3.11 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 21 K 8.54 4.03 0.00 1.97 2.12 0.00 1.68 0.00 0.00 1.69 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.53 7.81 22 R 8.49 3.98 0.00 1.88 1.97 0.00 3.18 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 23 A 7.97 4.00 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 24 K 8.72 3.96 0.00 1.95 2.12 0.00 1.76 0.00 0.00 1.72 0.00 0.00 3.18 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.53 1.60 7.81 25 D 8.28 4.38 0.00 2.95 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 26 A 8.17 4.04 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 27 L 8.14 3.92 0.00 1.91 1.74 0.95 0.81 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 28 E 8.29 4.04 0.00 2.25 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 2.60 2.62 0.00 29 E 7.92 3.97 0.00 2.15 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 2.34 2.38 0.00 30 S 8.01 4.24 0.00 3.95 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 31 L 7.94 4.29 0.00 2.04 1.74 1.04 0.57 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 32 L 7.57 4.07 0.00 1.88 1.78 0.98 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 33 L 7.18 4.70 0.00 1.85 1.73 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 34 K 7.48 4.45 0.00 1.82 1.83 0.00 1.62 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.40 7.81 35 D 8.78 4.58 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 36 C 7.87 4.16 0.00 3.03 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 37 K 8.06 4.58 0.00 1.71 1.75 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.10 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.44 7.81 38 C 8.63 4.79 0.00 3.01 3.33 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 39 R 8.85 4.28 0.00 1.76 1.94 0.00 3.28 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.69 0.00 40 S 8.09 4.67 0.00 3.89 3.67 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 41 R 8.33 4.46 0.00 1.83 1.93 0.00 3.27 0.00 0.00 3.31 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 42 L 8.43 3.86 0.00 0.97 0.63 0.66 0.52 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 43 F 7.49 5.10 0.00 3.10 3.07 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 44 P 0.00 4.52 0.00 2.41 2.12 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.20 0.00 45 R 8.78 4.17 0.00 1.88 2.07 0.00 3.45 0.00 0.00 3.39 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.63 0.00 46 T 8.01 4.02 4.29 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 1.27 0.00 0.00 47 W 7.89 4.36 0.00 3.34 3.25 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 48 D 7.28 4.70 0.00 2.60 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 0.00 0.00 0.00 49 L 8.25 3.67 0.00 1.71 1.61 1.08 0.95 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 50 R 7.55 3.94 0.00 1.70 1.90 0.00 3.22 0.00 0.00 3.32 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 51 Q 7.28 3.89 0.00 1.57 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.96 0.00 0.00 0.00 0.00 0.00 2.15 1.99 0.00 52 L 7.05 4.22 0.00 1.65 1.56 1.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 53 Q 8.19 4.25 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.86 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 54 V 8.45 3.64 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 0.97 0.00 0.00 0.92 0.00 0.00 55 R 7.95 4.10 0.00 1.97 2.06 0.00 3.17 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 56 E 8.03 4.57 0.00 2.03 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 0.00 2.26 2.50 0.00 57 R 7.66 3.95 0.00 1.98 1.98 0.00 3.11 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.90 0.00 58 P 0.00 4.29 0.00 2.18 2.13 0.00 3.61 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 2.14 2.17 0.00 59 V 7.85 3.61 2.34 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 1.14 0.00 0.00 0.98 0.00 0.00 60 A 8.11 4.47 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.51 4.05 0.00 1.83 1.92 0.90 0.81 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 62 E 8.51 3.92 0.00 2.31 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 0.00 2.32 2.34 0.00 63 A 8.30 3.90 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 64 E 8.64 4.00 0.00 2.79 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.89 0.00 65 L 8.37 3.91 0.00 2.06 1.73 0.84 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.22 4.09 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 67 L 7.80 3.80 0.00 1.87 1.88 0.72 0.64 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 68 T 7.68 3.84 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 1.33 0.00 0.00 69 L 8.47 3.88 0.00 1.76 1.77 0.75 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 70 K 7.77 3.96 0.00 1.99 1.89 0.00 1.67 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.42 7.81 71 V 7.73 3.54 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 0.94 0.00 0.00 0.96 0.00 0.00 72 L 8.24 3.97 0.00 1.77 1.70 0.96 1.15 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 73 E 7.55 3.93 0.00 2.15 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 2.55 2.49 0.00 74 A 8.22 4.13 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 75 T 7.85 3.79 4.39 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 1.27 0.00 0.00 76 A 8.15 4.25 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 77 D 7.81 4.60 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 78 T 7.70 4.28 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 79 D 8.38 4.82 0.00 2.57 2.51 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 80 P 0.00 4.28 0.00 2.19 2.08 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 81 A 7.73 4.02 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 82 L 8.30 4.18 0.00 1.96 1.79 0.97 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 83 G 7.88 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 84 D 7.60 4.51 0.00 2.86 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 85 V 7.39 4.03 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 0.88 0.00 0.00 0.92 0.00 0.00 86 L 8.21 4.13 0.00 1.78 1.68 0.94 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 87 D 7.88 4.24 0.00 2.90 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 88 Q 7.80 3.98 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 89 P 0.00 3.52 0.00 2.15 1.35 0.00 3.60 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.67 0.00 90 L 7.89 4.00 0.00 1.84 1.72 0.91 0.89 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 91 H 7.90 4.24 0.00 3.40 3.35 0.00 5.62 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 92 T 7.88 3.98 4.66 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 1.54 0.00 0.00 93 L 8.76 3.98 0.00 2.05 1.78 0.88 1.31 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 94 H 8.78 4.20 0.00 3.52 3.36 0.00 5.88 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 H 8.48 4.24 0.00 3.42 3.59 0.00 5.78 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 96 I 7.82 3.07 1.10 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.19 0.22 0.00 0.00 97 L 7.43 3.85 0.00 1.92 1.79 0.92 0.72 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 98 S 8.22 4.07 0.00 3.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 Q 8.17 4.18 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.54 0.00 0.00 0.00 0.00 0.00 2.46 2.82 0.00 100 L 8.03 3.94 0.00 1.87 1.86 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 101 R 8.15 3.95 0.00 2.07 1.99 0.00 3.19 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.95 0.00 102 A 7.74 4.25 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 0.00 103 C 8.24 4.63 0.00 3.11 3.15 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 0.00 104 I 7.49 4.71 1.89 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 1.32 0.81 0.93 0.00 0.00 105 Q 8.62 4.26 0.00 1.99 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 *116 G 8.07 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 0.00 117 R 7.84 4.26 0.00 2.13 2.25 0.00 2.84 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 118 L 7.91 4.34 0.00 2.05 1.83 1.21 0.99 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 0.00 119 H 8.48 4.09 0.00 3.36 3.39 0.00 5.92 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 0.00 120 H 8.37 4.17 0.00 3.40 3.44 0.00 5.93 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 0.00 121 W 7.81 4.00 0.00 3.32 3.29 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 0.00 122 L 7.95 3.74 0.00 1.89 1.87 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 123 H 7.40 4.18 0.00 3.26 3.34 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 7.51 3.61 0.00 1.59 1.57 0.00 3.20 0.00 0.00 3.14 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.50 0.00 125 L 7.10 3.74 0.00 1.14 1.20 -0.71 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 7.26 3.82 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.08 6.92 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 127 E 7.91 4.25 0.00 1.95 1.65 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 2.11 2.24 0.00 128 A 7.30 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 0.00 129 P 0.00 4.38 0.00 1.97 2.06 0.00 3.63 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 1.94 2.06 0.00 130 K 7.26 4.64 0.00 1.66 1.78 0.00 1.50 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.24 1.34 7.81 131 K 8.50 4.38 0.00 1.69 1.70 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.33 7.81 132 E 7.80 4.74 0.00 1.89 1.77 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 2.13 2.11 0.00 133 S 8.16 4.38 0.00 4.03 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 0.00 134 P 0.00 4.29 0.00 2.16 2.13 0.00 3.57 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 135 G 7.93 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 C 7.79 4.35 0.00 3.12 3.36 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 0.00 137 L 8.02 3.88 0.00 1.65 1.66 0.84 0.96 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 0.00 138 E 8.09 3.94 0.00 2.15 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 2.25 2.30 0.00 139 A 7.24 3.46 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 0.00 140 S 7.94 4.13 0.00 3.94 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 0.00 141 V 7.50 3.75 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 0.94 0.00 0.00 0.99 0.00 0.00 142 T 7.01 4.09 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 1.30 0.00 0.00 143 F 7.81 4.60 0.00 3.05 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 0.00 144 N 8.01 4.56 0.00 2.60 2.24 0.00 0.00 6.70 7.06 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 0.00 145 L 7.39 3.75 0.00 2.00 1.70 1.06 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 146 F 8.21 3.93 0.00 3.13 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 0.00 147 R 8.27 3.88 0.00 2.05 2.11 0.00 3.32 0.00 0.00 3.36 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 148 L 7.75 3.91 0.00 1.72 1.71 0.87 0.57 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 0.00 149 L 7.58 3.78 0.00 1.38 1.31 -0.16 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 150 T 7.54 4.07 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 0.18 0.00 0.00 151 R 7.30 3.78 0.00 1.89 2.10 0.00 3.19 0.00 0.00 3.37 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 152 D 8.53 4.31 0.00 2.87 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 0.00 153 L 7.97 3.93 0.00 1.81 1.73 0.84 0.63 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 0.00 154 N 7.63 4.28 0.00 2.86 2.95 0.00 0.00 7.24 8.97 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 0.00 155 C 8.25 4.35 0.00 3.14 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 0.00 156 V 7.65 3.47 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 0.98 0.00 0.00 1.01 0.00 0.00 157 A 7.88 4.35 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 0.00 158 S 7.88 4.60 0.00 3.93 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 0.00 159 G 8.15 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 0.00 0.00 0.00 160 D 8.77 4.44 0.00 2.74 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 0.00 161 L 7.81 4.24 0.00 1.73 1.67 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 162 C 7.80 4.80 0.00 2.90 3.11 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 0.00 163 V 7.95 3.93 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 0.75 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.