NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 T 4.3870 8.1593 115.5018 61.9675 68.5088 172.6780 25 E 4.6935 8.4340 125.4947 54.2714 33.4617 172.7166 26 Y 5.4064 9.2968 117.6310 56.3094 43.0727 176.0155 27 V 5.0766 9.3242 120.8028 61.3947 35.5628 174.9629 28 L 4.8425 9.0647 127.7298 53.3367 41.2265 176.3946 29 R 4.5600 8.4304 123.9081 56.1802 31.0201 175.8760 30 S 4.5899 8.6287 118.3607 58.6190 63.8896 174.1077 31 V 4.3959 8.5828 122.0067 59.7148 33.7276 175.2411 32 I 4.1680 8.3539 124.8256 61.8362 37.6426 175.8819 33 A 4.3224 9.0955 129.3474 50.8021 20.4145 176.2394 34 K 4.2058 9.1882 121.2229 58.4547 33.2990 177.6237 35 E 4.9219 7.8968 116.3221 53.6640 33.1538 176.8135 36 V 2.9325 8.2418 119.6593 66.0122 31.3206 178.5548 37 G 3.5143 7.8294 104.7777 47.4034 0.0000 175.1821 38 D 4.2082 7.4723 119.9550 56.9821 40.9458 178.6921 39 I 3.2697 6.8800 119.7364 63.9000 37.1221 178.0579 40 L 3.7389 6.9224 117.6737 57.5328 41.4174 179.2451 41 R 4.0742 7.7205 117.7584 58.1075 30.1756 177.3574 42 V 3.4504 6.8162 117.8347 62.4734 31.6122 174.0917 43 P 4.4417 0.0000 0.0000 62.1686 31.8968 176.9276 44 C 4.5392 8.6044 118.1808 57.1803 40.5020 173.9819 45 M 4.1934 9.3054 123.4308 55.3336 31.2384 176.5124 46 R 4.1887 8.2718 122.5302 55.5167 31.3166 175.9489 47 T 4.0282 8.1174 111.4921 59.7651 69.4887 173.0952 48 P 4.1888 0.0000 0.0000 61.5216 31.7556 175.4290 49 A 4.2192 8.2487 122.1563 52.4499 18.6580 178.4873 50 D 4.4455 8.5990 118.7992 57.2229 41.2040 177.8036 51 D 4.5264 8.3847 118.1169 57.3695 41.1241 177.1125 52 V 3.9677 7.2471 117.2574 62.9343 32.2325 176.0736 53 S 4.7879 8.7761 121.9098 56.3392 61.8482 172.5176 54 W 5.8612 7.9766 121.4510 53.9981 31.2686 175.3764 55 R 4.4698 8.3375 116.8521 54.8252 34.1011 174.5085 56 Y 4.6388 8.4137 120.5422 58.2450 38.8931 175.3575 57 E 4.4803 8.9921 125.0847 55.5100 29.9607 175.5462 58 A 4.7496 8.4646 129.5119 49.2241 21.7347 174.1037 59 P 3.8865 0.0000 0.0000 62.5027 31.8756 177.1588 60 S 4.2660 8.6294 117.8928 61.3503 62.9477 175.3488 61 V 4.3490 7.1465 115.9763 59.9985 34.0290 174.6871 62 I 4.0085 8.0666 122.6370 60.0613 36.9699 174.6502 63 D 4.7048 8.1265 125.4028 52.3166 42.6976 176.3846 64 Y 4.4820 8.3276 123.8219 60.3533 38.3365 176.6665 65 A 4.5142 8.1795 120.9508 52.4286 18.4705 177.2966 66 R 4.5655 7.9592 114.2156 55.9716 31.5571 174.6429 67 I 4.6534 7.5307 117.2586 60.4154 38.9019 174.8863 68 D 4.6925 9.2294 125.9923 55.6068 42.1649 177.3029 69 G 4.4572 8.1651 103.7431 44.8547 0.0000 172.0224 70 I 4.9734 8.2407 123.1519 59.4287 39.5880 175.5213 71 F 4.2420 9.5431 128.1260 56.1917 39.5694 175.2590 72 L 4.0100 7.9600 126.4823 53.2556 39.9675 177.3849 73 R 4.2627 8.3041 123.8625 55.0104 28.7845 176.6626 74 Y 4.7475 7.7696 114.6506 58.7501 38.1514 176.2983 75 H 4.6945 8.0064 115.1276 56.2485 29.7206 176.0008 76 C 4.6407 7.7712 118.9009 55.4546 40.9863 172.8676 77 P 4.0364 0.0000 0.0000 65.1525 31.0228 177.4396 78 G 4.0663 8.0850 104.2253 44.3465 0.0000 172.9219 79 L 3.7333 7.8213 117.5020 55.4590 40.0127 173.9512 80 D 4.4312 7.9330 118.0407 54.5684 41.7768 176.1676 81 T 5.0774 8.3511 114.1043 59.7671 71.5308 173.0138 82 F 5.0779 9.3088 124.5262 55.5557 42.0579 174.3828 83 L 4.9123 9.0877 123.8870 52.9029 43.9003 175.2574 84 W 5.1847 9.3049 135.0000 56.2917 31.8931 174.4925 85 D 4.9986 8.9031 128.5893 52.6581 41.5619 176.9379 86 R 3.2092 8.6840 128.1231 59.4043 30.3756 178.0976 87 H 4.0242 8.3124 115.6032 59.2442 29.7583 176.0775 88 A 4.0054 7.7648 120.0627 53.1169 18.5529 177.1544 89 Q 3.9619 8.0756 113.9441 56.2922 27.2164 173.0860 90 R 5.0896 7.6540 113.6632 54.2373 33.9963 174.8898 91 A 5.2717 9.0373 124.8661 50.4998 21.7432 174.7868 92 Y 4.7870 8.9940 121.3983 56.4910 39.8473 174.7615 93 L 4.1663 8.4735 127.2319 54.4711 42.7874 175.9177 94 V 4.0812 7.6395 118.6898 58.4780 36.1172 174.5185 95 N 3.8932 8.2691 119.1047 53.7139 38.7872 173.0178 96 P 4.1852 0.0000 0.0000 66.0504 31.2981 178.6296 97 F 4.2098 8.0238 115.5193 60.6550 39.0339 177.7817 98 L 4.1284 9.4210 119.1058 57.3244 41.3180 179.3801 99 F 4.1202 8.5812 120.8568 61.0680 39.3550 176.8495 100 A 4.0663 8.4299 120.3594 55.2639 18.2377 179.3182 101 A 4.0463 8.3278 119.3099 55.3662 18.4671 180.1123 102 G 3.5287 8.1362 104.0835 47.9169 0.0000 175.7063 103 F 4.2248 7.9243 122.4857 60.7333 39.6529 176.6898 104 L 3.8993 7.9067 118.7133 57.8334 41.4223 178.8215 105 E 3.9767 7.9951 120.1932 58.9721 29.3168 178.7899 106 D 4.1532 7.9258 116.8103 56.9903 40.8916 178.3000 107 L 4.1340 7.4187 118.3818 56.2754 42.0951 178.3466 108 S 4.1596 7.9200 113.2421 58.6674 63.3739 173.6954 109 H 4.5484 7.4794 120.6532 55.5668 29.2727 175.4408 110 S 3.9638 9.0836 120.5316 61.7760 62.7653 174.3904 111 V 3.0473 7.4444 113.6313 64.6871 30.8349 172.2898 *115 D 4.4789 7.5628 120.5554 55.2059 42.2089 174.2495 116 T 4.4922 10.2659 106.6619 61.4916 70.8846 176.1470 117 Q 3.8642 8.3401 122.2607 58.8797 29.2774 177.2695 118 E 3.8634 8.3872 120.1656 59.8603 29.2241 179.1557 119 T 3.9757 7.8349 108.9726 64.6807 69.1225 176.4718 120 T 3.8316 8.2841 116.4539 65.1739 67.3848 176.0620 121 T 3.8718 8.1080 117.9777 66.8924 68.5485 176.5470 122 R 3.8772 7.7430 119.0886 59.4041 30.0523 179.1744 123 R 3.8486 8.3053 118.4383 59.6779 29.8640 177.5514 124 A 3.9776 8.2383 120.4896 55.1739 18.2914 178.9175 125 L 3.9016 8.4952 117.5564 58.2835 42.1332 179.3315 126 Y 3.7977 7.9909 119.3712 60.5964 38.9739 177.7987 127 K 4.1419 8.5951 120.5862 59.1348 31.8117 178.1325 128 E 4.1131 7.9947 119.6562 58.5954 29.6361 178.4112 129 I 3.7749 7.6624 119.8802 64.5008 37.2982 178.1804 130 R 3.7522 8.0769 119.8469 59.6261 29.6024 178.2189 131 D 4.3449 8.0066 117.8305 57.4335 40.6469 178.6707 132 A 4.1135 7.6057 119.4832 54.6370 18.6261 179.2518 133 L 3.8470 8.3221 119.4323 58.3857 42.1942 179.4656 134 G 3.7666 8.1241 105.4373 47.6818 0.0000 175.0828 135 S 4.3045 7.5689 114.5281 60.6580 62.4452 174.8764 136 R 4.6746 8.3446 118.8155 55.4474 31.3444 176.8030 137 K 4.1656 7.8304 117.4169 58.9280 32.3545 177.3566 138 Q 4.3794 8.0279 117.5912 56.1393 28.8528 175.7685 139 A 4.5557 8.0151 122.0378 52.5858 20.3583 178.4622 140 V 2.8491 7.7970 114.2257 61.9081 31.4811 176.1634 141 S 4.1915 7.9764 116.3055 58.7186 62.8575 173.3571 142 H 4.7814 8.3443 119.3791 55.1021 29.9605 173.9161 143 A 4.1418 7.8595 124.3343 51.2092 18.4941 176.1510 144 P 4.4532 0.0000 0.0000 61.7810 32.1973 176.9253 145 V 3.5949 8.1237 121.9638 61.6765 31.7145 176.4087 146 R 4.1350 8.1092 119.5844 55.0214 30.7145 175.4995 147 A 4.1371 7.9764 121.1745 51.8133 19.2584 176.9035 148 G 4.0731 8.6597 106.2347 44.3724 0.0000 174.8535 149 C 4.3651 8.7128 116.9757 57.1109 40.8619 173.4930 150 V 4.6985 7.7059 114.5636 59.7244 34.0079 175.8943 151 N 4.1327 8.2388 118.2417 52.7993 37.3362 174.2045 152 F 4.8868 8.8841 126.5015 56.3531 40.4423 175.2222 153 D 4.5692 7.9400 117.9964 53.2833 44.0068 175.4074 154 Y 4.4967 8.5797 124.2839 60.7307 38.0296 177.2704 155 S 4.4079 8.5944 114.5632 59.0478 63.7360 174.6350 156 R 4.3106 7.3778 119.0159 55.3165 31.6542 175.7994 157 T 4.2574 7.9961 112.8924 62.6482 67.8607 174.9312 158 R 5.1295 8.1067 122.8230 55.1080 30.8012 176.5816 159 R 4.0194 7.9123 117.0049 56.4787 30.5783 176.8513 160 C 4.5288 8.5740 119.3901 56.0776 41.0349 173.3316 161 V 4.2846 8.2815 124.8121 61.4017 32.6566 175.1731 162 G 4.4204 8.0961 115.6475 44.0950 0.0000 171.9929 163 R 3.9895 8.6156 118.1240 59.6270 30.2499 179.7806 164 R 4.0471 8.0199 114.4844 58.2694 31.0034 177.0630 165 D 4.6243 7.5354 123.8662 54.2362 40.7994 175.7686 *197 P 4.3028 0.0000 0.0000 62.4983 33.3291 174.5694 198 V 4.6902 8.2034 121.5078 60.9507 35.3207 180.9918 199 L 4.5750 8.8254 126.9540 53.6803 41.8017 174.6097 200 A 4.7151 8.5215 124.1900 53.0278 18.3236 177.4953 201 L 3.5460 7.7720 121.7041 54.5091 42.1403 180.3476 202 S 4.4491 8.5816 122.2816 57.7756 63.2038 172.3356 203 N 4.6888 8.5239 116.9236 52.8158 37.9805 175.7903 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 24 T 8.16 4.39 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 25 E 8.43 4.69 0.00 2.25 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 2.17 2.36 0.00 26 Y 9.30 5.41 0.00 2.98 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 27 V 9.32 5.08 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.01 0.00 0.00 28 L 9.06 4.84 0.00 1.85 1.76 0.70 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 29 R 8.43 4.56 0.00 1.85 1.88 0.00 3.56 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 30 S 8.63 4.59 0.00 3.72 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 31 V 8.58 4.40 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 0.88 0.00 0.00 0.88 0.00 0.00 32 I 8.35 4.17 1.84 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 1.26 0.51 0.90 0.00 0.00 33 A 9.10 4.32 1.06 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 34 K 9.19 4.21 0.00 1.82 1.94 0.00 1.66 0.00 0.00 1.83 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.42 7.81 35 E 7.90 4.92 0.00 1.92 1.78 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 2.31 2.29 0.00 36 V 8.24 2.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.78 0.00 0.00 37 G 7.83 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 D 7.47 4.21 0.00 2.66 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 39 I 6.88 3.27 0.88 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.36 -0.77 0.00 0.00 40 L 6.92 3.74 0.00 1.47 1.62 0.91 1.12 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 41 R 7.72 4.07 0.00 1.59 1.91 0.00 3.08 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.77 0.00 42 V 6.82 3.45 1.86 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 0.85 0.00 0.00 0.83 0.00 0.00 43 P 0.00 4.44 0.00 2.06 1.95 0.00 3.71 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 2.00 2.07 0.00 44 C 8.60 4.54 0.00 2.97 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 M 9.31 4.19 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.70 0.00 46 R 8.27 4.19 0.00 1.73 1.83 0.00 3.15 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.57 0.00 47 T 8.12 4.03 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 1.30 0.00 0.00 48 P 0.00 4.19 0.00 1.88 1.77 0.00 3.12 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.44 0.00 49 A 8.25 4.22 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 50 D 8.60 4.45 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 51 D 8.38 4.53 0.00 2.65 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 52 V 7.25 3.97 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 0.93 0.00 0.00 0.88 0.00 0.00 53 S 8.78 4.79 0.00 4.00 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 54 W 7.98 5.86 0.00 3.44 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.34 4.47 0.00 1.79 1.83 0.00 3.12 0.00 0.00 3.31 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.62 0.00 56 Y 8.41 4.64 0.00 2.96 3.12 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 57 E 8.99 4.48 0.00 2.13 2.19 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 2.58 2.41 0.00 58 A 8.46 4.75 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 59 P 0.00 3.89 0.00 1.93 1.55 0.00 3.47 0.00 0.00 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.94 0.00 60 S 8.63 4.27 0.00 3.81 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 V 7.15 4.35 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 0.68 0.00 0.00 0.87 0.00 0.00 62 I 8.07 4.01 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.91 0.67 0.00 0.00 63 D 8.13 4.70 0.00 2.59 2.45 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 64 Y 8.33 4.48 0.00 3.13 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 65 A 8.18 4.51 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 66 R 7.96 4.57 0.00 1.83 1.87 0.00 3.57 0.00 0.00 3.28 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.72 0.00 67 I 7.53 4.65 2.07 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.08 1.09 0.00 0.00 68 D 9.23 4.69 0.00 1.97 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 69 G 8.17 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 I 8.24 4.97 1.77 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.78 0.00 0.00 71 F 9.54 4.24 0.00 2.96 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 72 L 7.96 4.01 0.00 1.16 0.58 0.88 1.03 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 73 R 8.30 4.26 0.00 1.78 1.91 0.00 3.12 0.00 0.00 3.34 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.00 0.00 74 Y 7.77 4.75 0.00 2.97 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 75 H 8.01 4.69 0.00 3.30 3.45 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 C 7.77 4.64 0.00 3.15 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 77 P 0.00 4.04 0.00 2.06 2.17 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.13 0.00 78 G 8.08 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 0.00 0.00 0.00 79 L 7.82 3.73 0.00 1.51 1.64 0.90 0.05 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 80 D 7.93 4.43 0.00 2.73 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 81 T 8.35 5.08 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 1.40 0.00 0.00 82 F 9.31 5.08 0.00 2.84 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 83 L 9.09 4.91 0.00 1.67 1.67 0.86 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 84 W 9.30 5.18 0.00 3.60 3.42 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 85 D 8.90 5.00 0.00 3.04 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.68 3.21 0.00 0.71 1.52 0.00 2.67 0.00 0.00 2.86 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.11 0.00 87 H 8.31 4.02 0.00 3.07 3.30 0.00 5.80 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 A 7.76 4.01 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 0.00 0.00 89 Q 8.08 3.96 0.00 2.27 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.00 6.69 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 90 R 7.65 5.09 0.00 1.33 1.17 0.00 3.05 0.00 0.00 2.99 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 91 A 9.04 5.27 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 92 Y 8.99 4.79 0.00 2.86 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 93 L 8.47 4.17 0.00 1.08 1.47 -0.13 0.91 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 94 V 7.64 4.08 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 0.64 0.00 0.00 0.69 0.00 0.00 95 N 8.27 3.89 0.00 2.95 2.84 0.00 0.00 6.85 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 P 0.00 4.19 0.00 1.29 1.96 0.00 3.77 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 97 F 8.02 4.21 0.00 3.22 3.12 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 98 L 9.42 4.13 0.00 1.90 1.81 0.97 1.27 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 99 F 8.58 4.12 0.00 3.18 3.28 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 0.00 100 A 8.43 4.07 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 A 8.33 4.05 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 0.00 102 G 8.14 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 F 7.92 4.22 0.00 1.98 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 0.00 104 L 7.91 3.90 0.00 1.89 1.64 0.72 0.02 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 0.00 105 E 8.00 3.98 0.00 2.18 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 2.35 2.22 0.00 106 D 7.93 4.15 0.00 2.93 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 L 7.42 4.13 0.00 1.75 1.64 0.26 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 108 S 7.92 4.16 0.00 3.89 3.98 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 0.00 0.00 0.00 109 H 7.48 4.55 0.00 3.25 3.24 0.00 5.73 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 0.00 110 S 9.08 3.96 0.00 3.84 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.44 3.05 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 0.74 0.00 0.00 0.96 0.00 0.00 *115 D 7.56 4.48 0.00 2.75 2.67 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 0.00 116 T 10.27 4.49 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 0.00 117 Q 8.34 3.86 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.42 2.41 0.00 118 E 8.39 3.86 0.00 2.12 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 2.38 2.41 0.00 119 T 7.83 3.98 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 1.26 0.00 0.00 120 T 8.28 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 1.28 0.00 0.00 121 T 8.11 3.87 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 1.21 0.00 0.00 122 R 7.74 3.88 0.00 2.00 1.91 0.00 3.16 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.00 123 R 8.31 3.85 0.00 1.83 1.89 0.00 3.07 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 124 A 8.24 3.98 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 0.00 125 L 8.50 3.90 0.00 1.79 1.71 1.01 0.84 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 0.00 126 Y 7.99 3.80 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 K 8.60 4.14 0.00 1.99 1.99 0.00 1.72 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.52 7.81 128 E 7.99 4.11 0.00 2.25 1.94 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 2.30 2.40 0.00 129 I 7.66 3.77 1.91 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.84 1.01 0.00 0.00 130 R 8.08 3.75 0.00 1.41 1.80 0.00 3.13 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 131 D 8.01 4.34 0.00 3.04 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 0.00 132 A 7.61 4.11 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 L 8.32 3.85 0.00 1.78 1.80 0.62 1.12 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 0.00 134 G 8.12 3.77 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 0.00 0.00 0.00 135 S 7.57 4.30 0.00 3.87 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 R 8.34 4.67 0.00 1.72 1.78 0.00 3.37 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.62 0.00 137 K 7.83 4.17 0.00 1.85 1.96 0.00 1.61 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.67 1.44 7.81 138 Q 8.03 4.38 0.00 2.10 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.94 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 139 A 8.02 4.56 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.80 2.85 1.80 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 0.65 0.00 0.00 0.56 0.00 0.00 141 S 7.98 4.19 0.00 3.77 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.34 4.78 0.00 3.14 3.24 0.00 5.75 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 7.86 4.14 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 0.00 144 P 0.00 4.45 0.00 2.03 1.98 0.00 3.68 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 2.01 2.06 0.00 145 V 8.12 3.59 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 0.66 0.00 0.00 0.33 0.00 0.00 146 R 8.11 4.14 0.00 1.89 1.96 0.00 3.01 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 147 A 7.98 4.14 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 0.00 148 G 8.66 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 0.00 0.00 0.00 149 C 8.71 4.37 0.00 2.97 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 0.00 150 V 7.71 4.70 2.29 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 0.82 0.00 0.00 1.03 0.00 0.00 151 N 8.24 4.13 0.00 2.34 2.36 0.00 0.00 5.92 7.43 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 0.00 152 F 8.88 4.89 0.00 2.88 3.08 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 0.00 153 D 7.94 4.57 0.00 2.67 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 0.00 154 Y 8.58 4.50 0.00 2.92 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 S 8.59 4.41 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 0.00 156 R 7.38 4.31 0.00 2.00 1.95 0.00 3.33 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.78 0.00 157 T 8.00 4.26 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 1.22 0.00 0.00 158 R 8.11 5.13 0.00 1.79 1.95 0.00 3.54 0.00 0.00 4.01 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.00 159 R 7.91 4.02 0.00 1.79 1.86 0.00 3.36 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 160 C 8.57 4.53 0.00 2.94 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 0.00 161 V 8.28 4.28 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 0.79 0.00 0.00 0.92 0.00 0.00 162 G 8.10 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 0.00 0.00 0.00 0.00 163 R 8.62 3.99 0.00 1.85 1.92 0.00 3.21 0.00 0.00 3.33 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 164 R 8.02 4.05 0.00 1.83 2.00 0.00 3.24 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 165 D 7.54 4.62 0.00 2.59 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *197 P 0.00 4.30 0.00 1.92 1.97 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 198 V 8.20 4.69 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 0.66 0.00 0.00 0.93 0.00 0.00 199 L 8.83 4.58 0.00 1.42 1.48 0.92 0.70 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 0.00 200 A 8.52 4.72 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 0.00 201 L 7.77 3.55 0.00 1.69 1.47 0.92 0.87 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 0.00 202 S 8.58 4.45 0.00 3.62 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 0.00 203 N 8.52 4.69 0.00 2.70 2.57 0.00 0.00 6.56 7.56 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 * Residues marked with a * may have inaccurate shift predictions.