NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 I 4.1532 8.0249 120.7873 60.7914 39.1801 174.6237 3 Q 4.5350 8.4591 124.4853 52.2666 31.9316 173.4233 4 S 4.9152 9.1975 116.4852 56.6598 67.1839 172.9134 5 Q 4.6716 8.6635 120.9279 54.5480 30.4111 175.8833 6 I 4.4354 8.1554 110.6464 60.1210 39.0376 174.6544 7 N 4.8996 7.8360 120.5685 51.2478 40.6933 174.8630 8 R 3.9859 8.5709 123.4038 59.0716 29.5302 178.3040 9 N 4.3572 8.7392 117.6243 55.8075 38.3797 177.3517 10 I 3.6875 7.4604 121.8347 64.5832 37.2675 178.6230 11 R 4.0395 7.8955 118.1949 58.9058 30.0164 178.9156 12 L 4.0476 8.2136 119.2950 57.6457 41.6167 179.0072 13 D 4.3688 8.5746 119.4789 57.2192 40.7212 178.5271 14 L 3.9188 7.9992 120.6074 58.0722 42.0106 178.8350 15 A 4.1075 8.0353 120.6290 55.4722 18.2745 179.3602 16 D 4.2901 8.1304 117.0410 57.3605 40.8022 178.9680 17 A 3.9728 7.9277 121.2757 55.2178 18.3532 179.6414 18 I 3.6463 8.3653 118.6629 64.6924 37.1972 178.7199 19 L 4.0447 8.2643 119.9001 57.3441 41.3517 179.2512 20 L 3.9301 8.1515 120.6840 58.1180 42.0749 178.9480 21 S 4.0244 8.1982 113.1395 61.2767 62.3481 175.8449 22 K 3.7742 8.3619 122.4724 59.6081 31.9688 178.5742 23 A 3.9574 8.0546 120.8480 55.0180 18.1146 179.6896 24 K 3.9205 8.0585 116.2525 59.3115 32.2348 178.8912 25 K 4.1446 8.0151 115.9100 55.5873 33.0200 175.9248 26 D 4.2809 7.5467 117.6268 55.2115 39.9564 172.8292 27 L 4.9069 8.0092 116.5612 52.6127 44.2951 177.2525 28 S 4.6787 8.1960 115.1396 56.6339 66.7331 175.2260 29 F 4.2626 8.4137 121.2884 60.6081 38.7759 177.7357 30 A 4.0404 8.1361 119.9838 55.4989 18.1651 179.4839 31 E 4.0210 8.3160 116.8659 59.3730 29.2450 179.6947 32 I 3.7388 7.5152 119.2525 64.1356 37.2121 177.8174 33 A 4.2937 8.1345 121.0543 52.8791 18.4481 177.0025 34 D 4.3017 7.2344 117.5270 55.9473 41.5103 176.4891 35 G 4.0080 9.1735 114.5664 45.5455 0.0000 173.4029 36 T 4.1748 7.8416 113.4913 61.1866 68.1775 175.8011 37 G 3.9617 8.2349 107.4376 46.1446 0.0000 172.9308 38 L 4.7153 7.0655 118.4566 51.9345 44.4860 177.0585 39 A 4.1873 8.3279 123.3591 52.0874 20.2824 178.8437 40 E 3.9616 8.8509 121.1555 59.6279 29.6594 179.5986 41 A 3.9325 7.9607 121.1509 54.5375 18.4758 179.3475 42 F 3.9047 8.0155 118.9624 61.3768 39.6155 177.4322 43 V 3.5904 8.0472 117.8997 66.3354 31.3495 177.9389 44 T 3.7553 8.0291 115.1874 66.7159 68.2638 176.3735 45 A 3.8496 7.7673 122.2175 54.9481 18.3319 179.5455 46 A 4.1760 7.6198 120.5627 54.7786 18.2171 179.7224 47 L 4.0120 7.8208 116.4677 57.6961 41.7170 178.7813 48 L 4.5375 7.6317 116.4447 54.5079 41.7630 177.5564 49 G 3.9502 8.1213 106.8607 45.5200 0.0000 174.4678 50 Q 4.5288 8.1882 116.4491 55.4850 29.8333 174.8680 51 Q 4.6176 7.4310 115.9738 54.5360 33.7325 172.8981 52 A 4.8890 8.4580 122.0352 50.4751 21.1073 176.4755 53 L 4.6439 8.7646 122.1666 52.9021 43.6136 175.2123 54 P 4.4323 0.0000 0.0000 62.7578 32.3211 177.1969 55 A 4.0472 8.6627 122.1474 55.6467 18.2540 180.0701 56 D 4.3395 8.1067 116.6798 57.2785 40.8752 178.6987 57 A 4.0150 7.9909 120.8347 54.8570 18.5119 179.1976 58 A 3.9490 8.0752 119.3426 55.4504 18.5964 180.0013 59 R 3.8340 8.0318 116.3552 59.4142 30.0461 178.9757 60 L 3.9717 7.8913 119.9719 58.4618 42.0670 179.5182 61 V 3.7837 8.2324 112.4250 64.0547 31.3577 178.7505 62 G 3.6566 8.0739 105.4510 47.1301 0.0000 175.9388 63 A 4.0016 7.8902 122.8379 55.1404 18.2642 179.7088 64 K 3.8942 7.5026 115.6180 59.3998 32.2860 178.7152 65 L 4.3071 7.7471 115.5546 53.6139 42.5923 176.0583 66 D 4.3586 7.6795 117.5389 55.2850 38.6492 173.6718 67 L 4.3366 8.3684 118.4440 54.0967 43.2338 177.4856 68 D 4.7559 8.1372 120.8247 52.5411 42.4455 177.1302 69 E 4.0258 8.5066 117.9837 59.5644 29.3906 179.2142 70 D 4.4285 8.0862 118.5140 57.1799 40.8844 178.7447 71 S 4.2180 8.3350 115.9166 61.3891 62.7465 176.6335 72 I 3.7405 7.5137 121.5537 64.0873 37.0957 177.9681 73 L 4.3505 7.8469 122.5759 57.7644 41.7702 179.0531 74 L 4.0314 7.7403 117.5545 57.8049 41.7384 179.3213 75 L 4.1666 8.0167 118.6299 56.6273 42.2782 177.2917 76 Q 4.7890 7.5828 120.1725 53.7080 27.3692 174.1367 *78 I 4.3150 7.3265 119.4414 60.4320 39.2513 174.7836 79 P 4.7508 0.0000 0.0000 62.1603 33.0333 175.9276 80 L 4.3755 8.2610 122.9318 53.8539 41.6708 176.4505 81 R 4.1287 8.2807 125.2156 55.8050 30.8542 175.1257 82 G 3.0414 8.1957 106.9042 44.9629 0.0000 173.4550 83 C 4.3857 8.2240 121.8997 57.8265 30.7630 173.9663 84 I 4.2133 7.3779 122.0323 59.9424 37.9676 174.8359 85 D 4.4734 8.8736 125.4380 57.1645 41.5302 176.6099 86 D 4.6431 7.3579 115.3082 53.2285 41.5892 173.9618 87 R 4.2878 8.2468 126.9101 56.4325 29.3567 177.1579 88 I 4.1485 7.1591 115.9117 58.3032 39.5050 173.8878 89 P 4.4595 0.0000 0.0000 62.9084 31.8432 176.3202 90 T 4.2607 8.2646 110.6285 62.8592 69.9661 175.0678 91 D 4.4976 7.9700 121.7279 53.2431 42.1162 173.9312 92 P 4.4898 0.0000 0.0000 66.2503 31.5307 178.8242 93 T 3.7911 7.5470 108.4866 65.1618 68.1984 174.1473 *95 Y 4.6251 7.8688 124.9633 57.6711 40.4427 177.2625 96 R 4.0295 8.0396 117.9020 59.2810 30.0417 178.7158 97 F 4.1731 7.9836 116.4618 60.5144 39.2228 176.5375 98 Y 4.1452 7.9311 118.8200 60.2067 38.8598 178.3513 99 E 4.0136 8.1131 122.4707 55.6768 29.3667 178.5619 *101 L 4.2316 7.9306 118.9431 54.6525 43.8611 179.6473 102 Q 3.7687 7.6117 116.5967 58.3830 28.4850 178.5585 103 V 3.7099 7.5732 118.3697 64.8975 32.0926 176.7912 104 Y 4.6920 7.4861 113.0997 57.4703 38.5872 177.5804 105 G 3.6327 8.2854 109.6596 48.1554 0.0000 176.2578 106 T 4.0334 7.8305 111.6853 64.4673 68.8809 176.9133 107 T 3.9349 7.8725 118.4625 66.4370 68.5345 176.4201 108 L 3.9952 8.3514 121.3639 57.6112 41.6187 179.3758 109 K 3.7749 8.1470 119.2275 59.6227 32.1580 178.6988 110 A 4.0361 8.1474 120.9183 55.1829 18.2230 179.6038 111 L 4.0468 8.3955 117.9061 57.5475 41.6400 179.8549 112 V 3.8092 8.2029 118.9116 66.3771 30.9510 177.8563 113 H 4.9150 8.2735 117.4531 58.4408 28.2931 177.4824 114 E 3.9915 8.1917 120.3133 59.1164 29.5846 178.5736 115 K 3.9647 8.2047 117.6482 57.7788 32.2147 177.1704 116 F 4.1207 9.2363 114.8917 59.4912 41.2650 176.0171 117 G 4.1228 7.6295 104.8294 44.3528 0.0000 171.6005 118 D 4.6844 8.3843 119.6128 54.5293 42.4586 175.7472 119 G 4.1381 7.8934 111.4640 45.3472 0.0000 172.3904 120 I 4.8069 8.3889 115.5260 59.3315 41.8433 174.6885 121 I 4.6735 8.1187 123.6725 59.8561 38.0551 175.9001 122 S 4.2508 9.0935 123.0678 58.2874 62.8575 173.7161 123 A 3.9530 8.4804 127.3782 51.9494 19.3612 176.8618 124 I 4.3187 7.6430 115.7993 63.4076 39.3426 176.6732 125 N 4.7983 8.1397 122.5450 51.9570 37.3534 172.2448 126 F 5.4659 7.9753 122.4505 56.3236 43.0000 172.8152 127 K 4.5888 8.2409 124.2109 54.8404 36.1062 174.9773 128 L 5.6014 8.3791 120.8006 53.0925 43.7037 175.0688 129 D 4.8394 8.4034 118.6179 51.9253 43.3574 173.7673 130 V 4.8176 8.3656 119.3737 61.1549 33.8461 174.7161 131 K 4.7314 8.9587 126.6036 54.4295 35.8522 174.7893 132 K 4.9573 8.6178 124.5854 55.1653 33.5779 175.7296 133 V 4.7115 8.7167 119.4289 59.1262 36.3686 174.9550 134 A 4.5039 8.5610 123.7474 52.1079 19.3489 176.6746 135 D 4.6186 8.8095 120.3481 52.5327 42.2880 175.9194 136 P 4.2358 0.0000 0.0000 65.8623 31.4224 177.1753 137 E 4.1374 8.5492 115.2215 56.2178 29.6536 176.2436 138 G 4.0899 8.6605 106.6676 44.9841 0.0000 176.1206 139 G 3.8446 8.8979 108.3205 44.3715 0.0000 171.9703 140 E 5.2084 8.4369 116.8890 54.7228 33.6024 175.5618 141 R 4.8142 9.2968 120.1164 54.4248 34.6354 174.0665 142 A 4.9912 8.5908 123.2307 50.6548 20.9846 176.7875 143 V 4.2105 8.9293 123.1860 61.4164 33.4115 174.1806 144 I 4.9434 8.3672 129.0381 59.9197 39.1770 175.3403 145 T 4.5040 8.7656 124.1915 61.8431 70.6968 173.3974 146 L 4.5680 8.5811 127.2680 53.2545 43.2651 175.9144 147 D 4.7134 8.6452 124.9906 52.3456 43.3502 174.4913 148 G 4.6443 8.5250 112.2351 43.8079 0.0000 170.9503 149 K 4.3280 8.9867 124.6186 56.1133 33.6040 175.3699 150 Y 4.7177 8.6359 128.2200 57.5259 40.2860 173.8642 151 L 4.5500 8.7353 127.2804 51.9753 44.3015 174.5065 152 P 4.6008 0.0000 0.0000 62.8364 32.7512 175.9449 153 T 4.5785 8.5654 118.0658 62.0824 70.1522 174.0439 154 K 4.6825 8.5000 125.1125 53.3996 35.7393 174.4550 155 P 4.4247 0.0000 0.0000 62.8544 31.9475 176.7059 156 F 4.5537 7.7544 113.5666 57.2367 37.9827 174.6219 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 2 I 8.02 4.15 1.88 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 1.42 1.36 0.91 0.00 0.00 3 Q 8.46 4.53 0.00 2.11 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.66 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 4 S 9.20 4.92 0.00 3.91 3.78 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 5 Q 8.66 4.67 0.00 2.02 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.73 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 6 I 8.16 4.44 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 0.66 0.91 0.00 0.00 7 N 7.84 4.90 0.00 2.76 2.68 0.00 0.00 6.93 7.65 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 8 R 8.57 3.99 0.00 2.06 2.30 0.00 3.10 0.00 0.00 3.32 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 9 N 8.74 4.36 0.00 2.85 2.91 0.00 0.00 6.84 8.03 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 10 I 7.46 3.69 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 1.52 0.81 0.91 0.00 0.00 11 R 7.90 4.04 0.00 1.81 1.96 0.00 3.28 0.00 0.00 3.47 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 12 L 8.21 4.05 0.00 1.68 1.71 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 13 D 8.57 4.37 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 14 L 8.00 3.92 0.00 1.77 1.83 0.92 1.17 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 15 A 8.04 4.11 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 16 D 8.13 4.29 0.00 2.86 2.74 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 17 A 7.93 3.97 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 18 I 8.37 3.65 2.10 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 1.53 0.75 0.95 0.00 0.00 19 L 8.26 4.04 0.00 1.83 1.74 0.99 0.78 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 20 L 8.15 3.93 0.00 1.75 1.79 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 21 S 8.20 4.02 0.00 3.92 3.94 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 22 K 8.36 3.77 0.00 1.78 1.90 0.00 1.11 0.00 0.00 1.16 0.00 0.00 2.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.20 1.22 7.81 23 A 8.05 3.96 1.37 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 0.00 0.00 0.00 0.00 0.00 24 K 8.06 3.92 0.00 1.87 1.88 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.58 7.81 25 K 8.02 4.14 0.00 1.70 1.82 0.00 1.83 0.00 0.00 1.69 0.00 0.00 3.08 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.43 1.53 7.81 26 D 7.55 4.28 0.00 2.77 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 L 8.01 4.91 0.00 1.71 1.43 1.00 0.66 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 28 S 8.20 4.68 0.00 4.03 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 29 F 8.41 4.26 0.00 3.12 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 30 A 8.14 4.04 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 31 E 8.32 4.02 0.00 2.03 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 2.33 2.35 0.00 32 I 7.52 3.74 1.94 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 1.43 0.51 0.96 0.00 0.00 33 A 8.13 4.29 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 34 D 7.23 4.30 0.00 2.69 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 35 G 9.17 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 36 T 7.84 4.17 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 1.34 0.00 0.00 37 G 8.23 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.07 4.72 0.00 1.90 1.64 1.03 0.60 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 39 A 8.33 4.19 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 40 E 8.85 3.96 0.00 2.25 2.27 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 2.38 2.39 0.00 41 A 7.96 3.93 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 42 F 8.02 3.90 0.00 3.18 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 43 V 8.05 3.59 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 1.08 0.00 0.00 44 T 8.03 3.76 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 0.39 0.00 0.00 45 A 7.77 3.85 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 46 A 7.62 4.18 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 47 L 7.82 4.01 0.00 1.85 1.85 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.63 4.54 0.00 1.54 1.63 0.75 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.12 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 0.00 0.00 0.00 50 Q 8.19 4.53 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 51 Q 7.43 4.62 0.00 1.39 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.89 0.00 0.00 0.00 0.00 0.00 2.07 1.59 0.00 52 A 8.46 4.89 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 53 L 8.76 4.64 0.00 1.64 1.66 0.95 1.07 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 54 P 0.00 4.43 0.00 2.20 2.01 0.00 3.72 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 55 A 8.66 4.05 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 56 D 8.11 4.34 0.00 2.71 2.74 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 57 A 7.99 4.02 1.37 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 0.00 0.00 0.00 0.00 0.00 58 A 8.08 3.95 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 59 R 8.03 3.83 0.00 2.10 2.00 0.00 3.15 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 60 L 7.89 3.97 0.00 1.91 1.84 0.93 1.11 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 61 V 8.23 3.78 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 0.84 0.00 0.00 1.02 0.00 0.00 62 G 8.07 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 0.00 0.00 0.00 0.00 63 A 7.89 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 64 K 7.50 3.89 0.00 1.85 1.89 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.75 7.81 65 L 7.75 4.31 0.00 1.63 1.69 0.96 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 66 D 7.68 4.36 0.00 2.85 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 67 L 8.37 4.34 0.00 1.60 1.60 0.93 0.94 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 68 D 8.14 4.76 0.00 2.94 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 69 E 8.51 4.03 0.00 2.00 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 2.40 2.34 0.00 70 D 8.09 4.43 0.00 2.76 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 71 S 8.34 4.22 0.00 4.15 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 72 I 7.51 3.74 1.88 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 1.57 0.47 0.97 0.00 0.00 73 L 7.85 4.35 0.00 1.78 1.94 0.93 0.59 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 74 L 7.74 4.03 0.00 1.83 1.72 0.92 0.93 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 75 L 8.02 4.17 0.00 1.89 1.73 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 7.58 4.79 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.57 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 *78 I 7.33 4.31 1.88 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 1.42 0.85 0.92 0.00 0.00 79 P 0.00 4.75 0.00 2.12 2.04 0.00 3.75 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 80 L 8.26 4.38 0.00 1.67 1.65 0.91 0.93 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 81 R 8.28 4.13 0.00 1.82 1.81 0.00 3.24 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 1.70 1.61 0.00 82 G 8.20 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 0.00 0.00 0.00 83 C 8.22 4.39 0.00 3.05 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 84 I 7.38 4.21 1.85 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 1.29 0.56 0.89 0.00 0.00 85 D 8.87 4.47 0.00 2.61 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 86 D 7.36 4.64 0.00 2.58 2.48 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 R 8.25 4.29 0.00 1.98 2.06 0.00 3.20 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 1.51 1.62 0.00 88 I 7.16 4.15 1.74 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.74 0.55 0.00 0.00 89 P 0.00 4.46 0.00 2.17 2.04 0.00 3.31 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 2.07 2.10 0.00 90 T 8.26 4.26 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 1.19 0.00 0.00 91 D 7.97 4.50 0.00 2.68 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 92 P 0.00 4.49 0.00 2.26 2.12 0.00 3.70 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 93 T 7.55 3.79 4.49 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 1.35 0.00 0.00 *95 Y 7.87 4.63 0.00 3.21 3.20 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 96 R 8.04 4.03 0.00 1.53 1.74 0.00 3.40 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.78 0.00 97 F 7.98 4.17 0.00 3.10 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 98 Y 7.93 4.15 0.00 2.91 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 99 E 8.11 4.01 0.00 1.92 1.95 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 2.29 2.36 0.00 *101 L 7.93 4.23 0.00 1.60 1.59 0.91 1.04 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 0.00 102 Q 7.61 3.77 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.89 0.00 0.00 0.00 0.00 0.00 1.65 2.30 0.00 103 V 7.57 3.71 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.00 0.00 0.86 0.00 0.00 104 Y 7.49 4.69 0.00 3.00 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 0.00 105 G 8.29 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 0.00 106 T 7.83 4.03 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 1.20 0.00 0.00 107 T 7.87 3.93 4.63 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 1.34 0.00 0.00 108 L 8.35 4.00 0.00 1.84 1.73 0.95 0.69 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 0.00 109 K 8.15 3.77 0.00 1.83 1.99 0.00 1.67 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.48 1.45 7.81 110 A 8.15 4.04 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 0.00 111 L 8.40 4.05 0.00 1.78 1.75 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 112 V 8.20 3.81 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 1.03 0.00 0.00 0.97 0.00 0.00 113 H 8.27 4.91 0.00 3.26 3.32 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 8.19 3.99 0.00 1.98 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 115 K 8.20 3.96 0.00 1.61 1.19 0.00 1.71 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.51 7.81 116 F 9.24 4.12 0.00 2.40 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 0.00 117 G 7.63 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 0.00 118 D 8.38 4.68 0.00 2.71 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 0.00 119 G 7.89 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 0.00 0.00 0.00 120 I 8.39 4.81 1.86 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 1.20 1.22 0.92 0.00 0.00 121 I 8.12 4.67 1.82 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.68 0.91 0.00 0.00 122 S 9.09 4.25 0.00 3.91 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 0.00 123 A 8.48 3.95 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 0.00 124 I 7.64 4.32 1.88 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 1.27 0.96 0.93 0.00 0.00 125 N 8.14 4.80 0.00 2.79 2.74 0.00 0.00 6.72 7.68 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 0.00 126 F 7.98 5.47 0.00 3.11 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 0.00 127 K 8.24 4.59 0.00 1.61 1.64 0.00 1.21 0.00 0.00 1.61 0.00 0.00 2.80 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 1.15 7.81 128 L 8.38 5.60 0.00 1.73 1.35 1.04 0.84 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 0.00 129 D 8.40 4.84 0.00 2.65 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 0.00 130 V 8.37 4.82 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 0.88 0.00 0.00 0.91 0.00 0.00 131 K 8.96 4.73 0.00 1.69 1.65 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.51 1.48 7.81 132 K 8.62 4.96 0.00 1.78 1.72 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.35 1.47 7.81 133 V 8.72 4.71 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 0.64 0.00 0.00 0.99 0.00 0.00 134 A 8.56 4.50 1.23 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 0.00 0.00 135 D 8.81 4.62 0.00 2.68 2.61 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 0.00 136 P 0.00 4.24 0.00 2.08 2.11 0.00 3.73 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 2.03 2.12 0.00 137 E 8.55 4.14 0.00 2.05 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 2.34 2.25 0.00 138 G 8.66 4.09 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 0.00 0.00 0.00 139 G 8.90 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 0.00 0.00 0.00 140 E 8.44 5.21 0.00 1.82 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 0.00 2.21 2.31 0.00 141 R 9.30 4.81 0.00 1.66 1.77 0.00 3.21 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 142 A 8.59 4.99 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 0.00 143 V 8.93 4.21 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 0.97 0.00 0.00 0.94 0.00 0.00 144 I 8.37 4.94 2.00 0.00 0.00 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 1.42 0.84 1.00 0.00 0.00 145 T 8.77 4.50 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 1.18 0.00 0.00 146 L 8.58 4.57 0.00 1.65 1.98 1.02 1.21 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 0.00 147 D 8.65 4.71 0.00 2.64 2.43 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 0.00 148 G 8.53 4.64 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 0.00 0.00 0.00 149 K 8.99 4.33 0.00 1.91 1.70 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.43 1.45 7.81 150 Y 8.64 4.72 0.00 2.67 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 0.00 151 L 8.74 4.55 0.00 1.42 1.39 0.87 0.66 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 0.00 152 P 0.00 4.60 0.00 2.02 1.90 0.00 3.43 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.86 0.00 153 T 8.57 4.58 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 1.31 0.00 0.00 154 K 8.50 4.68 0.00 1.74 1.71 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.44 7.81 155 P 0.00 4.42 0.00 2.02 1.92 0.00 3.64 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 2.02 2.06 0.00 156 F 7.75 4.55 0.00 3.02 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 * Residues marked with a * may have inaccurate shift predictions.