NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2703 8.1593 117.3737 63.5672 69.8233 173.7792 2 S 4.4951 8.2354 120.4524 55.7466 66.6833 173.5320 3 K 4.0245 9.1438 123.4912 59.5887 32.3432 179.6219 4 K 3.8238 8.0888 118.2270 59.7157 31.8329 178.9069 5 K 3.8829 7.7039 117.3208 59.1151 31.0763 177.9498 6 R 4.3111 7.9320 116.8434 57.1846 30.3730 178.2837 7 Q 4.0944 8.0259 118.5947 57.4949 28.5052 176.9776 8 R 4.0197 6.7190 116.4088 58.0617 30.3530 176.9712 9 G 4.0035 9.1747 111.4164 45.2148 0.0000 173.8123 10 S 4.2812 7.8883 113.0778 57.8895 63.4218 173.6921 11 R 4.0821 7.7445 123.7736 57.4197 29.4112 176.4212 12 T 4.2106 7.5843 105.2426 61.7150 69.8072 174.2218 13 H 4.4117 8.4071 117.9089 56.0011 26.8458 175.7342 14 G 3.9318 8.4002 104.7387 45.8639 0.0000 174.8461 15 G 3.7570 8.4512 108.0749 45.5715 0.0000 176.1977 16 G 3.8158 7.8767 106.7894 44.6102 0.0000 172.8725 17 S 4.0304 8.7131 114.2987 59.1133 62.5968 175.6460 18 H 4.3482 8.9548 120.9395 57.0401 28.1070 175.7764 19 K 4.1427 7.7700 118.9910 56.9641 31.8937 177.3481 20 N 4.3773 7.6999 117.8939 55.5974 39.1574 176.8845 21 R 4.3754 7.4343 121.3650 56.6965 28.8833 177.5698 22 R 4.5405 7.3062 122.6749 56.2828 31.2008 180.6235 23 G 4.0337 8.5216 118.7111 44.8697 0.0000 172.6194 24 A 4.4117 8.5207 121.5910 53.5272 18.4677 179.7673 25 G 3.5592 7.9488 104.9566 47.4930 0.0000 175.3008 26 H 4.4521 8.1036 118.8813 58.0995 29.9794 176.3344 27 R 4.4507 7.8294 117.2341 55.2237 30.7867 176.1055 28 G 3.7461 7.8239 106.8512 46.7311 0.0000 174.0849 29 G 3.9837 8.3099 105.2576 44.5318 0.0000 174.1407 30 R 4.4235 8.4173 117.5529 55.8524 32.3576 177.2790 31 G 3.9638 8.2059 109.3082 47.5495 0.0000 173.9028 32 D 4.7326 8.6000 124.1383 53.7540 40.8231 175.5160 33 A 4.0440 7.3236 122.5956 54.2851 18.6809 178.8945 34 G 3.8072 9.0410 109.7888 45.8581 0.0000 175.2104 35 R 3.9435 7.7415 116.0490 57.6563 29.2361 177.3722 36 D 4.8761 7.8286 115.8693 52.7600 42.0654 175.0379 37 K 4.5549 9.0285 117.0768 57.7400 32.4088 177.3253 38 H 4.5503 9.8927 123.2666 58.3040 29.7581 176.4429 39 E 4.7176 7.5858 119.5334 55.5235 30.1350 177.1181 40 F 4.8933 8.0649 115.2268 59.1997 38.6565 175.2473 41 H 3.5585 6.7674 117.1179 57.5300 28.6701 174.1330 42 N 4.2518 8.7679 119.0770 54.5119 36.1398 173.3772 43 H 4.8759 7.6778 114.2290 53.5544 30.8032 174.9019 44 E 4.0702 8.6672 122.9484 55.9559 29.8552 175.3767 45 P 4.5896 0.0000 0.0000 62.0123 32.4003 176.0366 46 L 4.1020 8.0082 118.8751 55.1256 42.1154 176.0914 47 G 4.2162 8.0960 106.2212 43.5214 0.0000 173.1872 48 K 4.5243 7.9360 119.8447 55.0481 34.2531 176.2920 49 S 4.4162 8.6493 112.3964 58.6646 65.4523 175.8308 50 G 3.9039 8.8630 117.0463 46.5011 0.0000 170.7487 51 F 4.9536 8.1632 113.2498 55.7033 41.0433 173.2072 52 K 4.3543 8.4691 118.7783 54.5837 35.0247 176.3900 53 R 4.7075 8.0840 120.8899 53.7684 32.0261 174.6199 54 P 4.3983 0.0000 0.0000 62.7583 31.7610 177.5270 55 Q 3.9304 8.8491 121.6122 58.3966 28.7638 177.5740 56 K 4.4776 7.9580 115.1380 56.5113 32.7240 176.7471 57 V 4.3734 8.0699 116.1371 62.7550 32.5819 174.9177 58 Q 4.6232 7.8901 117.1145 54.8623 30.3211 174.5365 59 E 5.3622 8.5015 120.4180 53.8450 31.4413 175.2878 60 E 4.4658 8.5371 122.6877 54.1660 31.9603 174.5754 61 A 3.6371 8.2444 128.4075 51.3493 19.9334 176.7826 62 A 4.4638 8.7478 123.5162 50.7533 19.8340 176.5746 63 T 5.2732 8.1309 111.0830 61.2679 70.9335 174.2368 64 I 4.6217 7.9276 121.5279 59.9559 41.8948 173.0254 65 D 5.2737 8.6050 127.5686 53.1966 42.6139 177.7729 66 V 3.5952 8.4745 116.1711 64.8138 31.7294 178.7485 67 R 3.8495 7.8628 117.8408 59.8353 29.5489 178.0451 68 E 3.9601 8.0553 117.5948 59.1276 29.7896 178.5012 69 I 3.8198 7.5564 119.3970 64.3336 36.8738 177.7103 70 D 4.3075 8.6535 119.0442 57.4971 40.9819 178.0356 71 E 4.2190 7.8630 116.5168 58.2462 29.5172 177.3186 72 N 5.0084 7.6127 116.2295 52.5658 39.5684 177.0059 73 V 3.2686 7.5275 113.0924 64.7743 31.2462 178.3929 74 T 3.6338 7.5865 107.9487 64.7876 68.4604 175.5473 75 L 4.2703 7.2187 120.5169 56.5489 41.9054 177.3788 76 L 4.4743 7.8004 117.9653 54.4747 43.0422 176.6591 77 A 4.2347 8.1316 124.9179 52.3978 19.4879 178.5948 *78 A 4.2594 8.0905 120.4706 51.9256 20.0663 177.5152 79 D 4.2544 9.4138 118.7417 55.1736 44.2056 175.7640 80 D 4.0923 7.4465 122.8575 52.7137 40.8496 176.0630 81 V 4.4422 7.8755 120.7737 61.1694 31.7098 175.7074 82 A 4.2901 7.4877 124.5610 51.5998 19.1794 177.5559 83 E 3.8196 8.7823 112.4815 59.2524 29.8937 177.0080 *89 F 4.4930 7.7334 118.0505 57.4867 40.9004 173.5057 90 R 5.1322 8.3084 122.8521 54.8774 31.4373 175.9630 91 V 4.4228 9.0590 125.7926 60.2713 35.1811 174.0852 92 D 4.9435 8.8342 125.1958 52.5133 40.6741 176.2569 93 V 3.6651 8.5622 126.5525 65.9144 31.8419 178.4660 94 R 3.7661 7.8316 117.4747 59.3675 29.9561 176.9550 95 D 4.7536 8.5062 115.5994 54.2884 40.7640 176.2552 96 V 4.1465 8.1585 117.9376 64.3072 33.2906 176.3371 97 V 3.6303 7.6290 118.3198 63.2365 31.9064 175.3475 98 E 4.3336 8.5178 125.3052 56.6821 30.8318 177.5311 99 E 3.8773 8.8336 118.0095 56.8749 27.7993 176.2079 100 A 4.1838 7.5846 119.3494 53.5939 18.3337 177.6780 101 D 4.6656 8.1549 117.3125 56.6445 41.9054 178.6100 102 D 4.4447 7.9307 115.7942 53.4817 38.4757 175.4857 103 A 4.9625 7.5480 121.7398 50.0139 21.4780 178.4376 104 D 4.5343 8.6522 121.5120 56.7343 41.3938 175.8462 105 Y 4.8034 6.4606 116.3766 56.7232 41.9559 172.4784 106 V 4.7786 8.8352 120.8642 61.1280 33.8029 174.2726 107 K 4.9360 8.7449 128.7678 54.5624 35.5143 174.5743 108 V 4.6004 8.3764 127.1410 61.4619 33.2298 174.7278 109 L 4.6017 9.3386 128.8925 53.1090 43.7984 177.0400 110 G 4.2058 7.8690 109.8969 45.1024 0.0000 173.1644 111 A 4.6242 8.1741 121.6996 51.7370 21.7218 178.3205 112 G 4.0323 8.9223 108.9042 44.3078 0.0000 172.3875 113 Q 4.6148 8.2146 116.8301 54.2595 31.0727 175.9366 114 V 4.4499 7.7658 118.3520 60.2481 31.9079 175.1009 115 R 4.3991 8.3461 128.9859 55.7623 30.5639 175.8989 116 H 4.8087 7.7566 112.7437 55.0987 32.9584 172.7528 117 E 4.8526 8.6885 120.1294 54.5926 30.3182 175.9735 118 L 5.0318 8.5768 124.1857 53.3567 45.7994 175.9291 119 T 5.0870 9.1097 120.1809 61.8525 69.1166 172.1338 120 L 4.8961 8.5840 125.1048 54.0169 43.9365 175.6512 121 I 5.7163 9.1996 123.6382 58.9355 40.1480 174.4966 122 A 4.9251 8.5230 127.4297 50.5638 23.1196 175.7557 123 D 4.5068 8.6696 116.9822 55.5679 41.8494 176.3347 124 D 4.5967 6.6703 116.9552 53.8634 44.2716 174.6573 125 F 5.5229 8.8973 121.4031 55.8805 43.5948 173.9186 126 S 4.7558 8.5187 114.4123 56.9647 65.4108 174.6705 127 E 3.9623 9.2368 122.4349 60.0856 29.1566 179.8591 128 G 3.7126 8.2188 104.4107 47.5566 0.0000 175.1810 129 A 4.0849 8.4150 123.5964 55.2024 18.2981 179.8647 130 R 3.7330 7.9807 116.0700 59.4627 29.9044 178.7669 131 E 3.6980 7.9763 117.8827 59.4100 29.2058 179.8432 132 K 4.0641 7.5387 117.4855 58.9070 32.7654 178.8012 133 V 3.7443 7.6919 118.2652 66.1773 31.4353 177.9561 134 E 4.8666 8.2576 119.9916 59.0116 29.2537 179.3862 135 G 3.9221 7.4446 101.6942 46.0896 0.0000 173.1344 136 A 4.7086 8.0607 124.6128 51.8135 19.6237 176.4491 137 G 3.6935 8.3664 104.5670 48.4101 0.0000 174.2178 138 G 4.5746 8.1185 104.2960 43.0672 0.0000 172.9029 139 S 5.3017 8.8470 114.5630 56.0757 66.5718 173.2756 140 V 4.4772 8.1422 120.1725 59.8664 33.5203 174.4848 141 E 4.6437 9.3874 125.4088 54.0798 31.9822 175.2352 142 L 4.8645 8.6489 127.3895 55.2409 43.2185 176.7588 143 T 4.2728 8.6479 122.3305 63.1011 69.7830 175.5577 144 D 4.4350 8.8310 122.5753 57.6262 41.1013 179.1302 145 L 3.9643 8.0233 119.5745 57.8890 42.1706 178.1046 146 G 4.0506 7.7759 106.5090 47.2075 0.0000 173.5045 147 E 4.3471 8.0380 121.8783 56.2375 28.0944 176.6047 148 E 4.5157 7.6953 113.2672 55.8233 31.6694 177.0559 149 R 4.3450 7.9870 118.9874 55.7800 29.8084 176.0333 150 Q 4.3318 8.3384 122.8498 56.8334 29.4421 173.1891 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 T 8.16 4.27 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 2 S 8.24 4.50 0.00 4.09 3.86 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 3 K 9.14 4.02 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.93 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.52 7.81 4 K 8.09 3.82 0.00 1.83 1.86 0.00 1.74 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.52 7.81 5 K 7.70 3.88 0.00 1.76 2.02 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.53 7.81 6 R 7.93 4.31 0.00 2.02 1.92 0.00 3.17 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 1.58 1.78 0.00 7 Q 8.03 4.09 0.00 1.88 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.94 0.00 0.00 0.00 0.00 0.00 2.57 2.40 0.00 8 R 6.72 4.02 0.00 1.77 1.90 0.00 3.31 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 9 G 9.17 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 0.00 0.00 0.00 10 S 7.89 4.28 0.00 4.00 3.99 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 11 R 7.74 4.08 0.00 1.97 2.05 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 12 T 7.58 4.21 4.37 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 1.30 0.00 0.00 13 H 8.41 4.41 0.00 3.24 3.37 0.00 5.71 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 14 G 8.40 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 8.45 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.88 3.82 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 0.00 0.00 0.00 17 S 8.71 4.03 0.00 3.87 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 18 H 8.95 4.35 0.00 3.31 3.37 0.00 5.57 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.77 4.14 0.00 1.75 1.83 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.32 1.40 7.81 20 N 7.70 4.38 0.00 2.64 2.57 0.00 0.00 6.96 7.49 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 21 R 7.43 4.38 0.00 1.77 1.90 0.00 3.16 0.00 0.00 3.24 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 22 R 7.31 4.54 0.00 1.73 0.95 0.00 3.15 0.00 0.00 3.19 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.51 0.00 23 G 8.52 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 0.00 0.00 0.00 24 A 8.52 4.41 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 25 G 7.95 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 26 H 8.10 4.45 0.00 3.21 3.48 0.00 5.93 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.83 4.45 0.00 2.08 1.93 0.00 3.32 0.00 0.00 3.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 28 G 7.82 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.31 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 0.00 0.00 0.00 30 R 8.42 4.42 0.00 1.89 1.85 0.00 3.25 0.00 0.00 3.35 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 31 G 8.21 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 32 D 8.60 4.73 0.00 2.74 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 33 A 7.32 4.04 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 34 G 9.04 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 35 R 7.74 3.94 0.00 1.60 2.11 0.00 2.74 0.00 0.00 3.16 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 36 D 7.83 4.88 0.00 2.70 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 37 K 9.03 4.55 0.00 1.78 1.67 0.00 1.75 0.00 0.00 1.78 0.00 0.00 2.87 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.38 1.52 7.81 38 H 9.89 4.55 0.00 3.31 3.44 0.00 5.47 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 39 E 7.59 4.72 0.00 1.83 1.91 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 2.15 2.01 0.00 40 F 8.06 4.89 0.00 3.19 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 41 H 6.77 3.56 0.00 2.92 3.08 0.00 5.85 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.77 4.25 0.00 2.82 2.86 0.00 0.00 6.93 8.16 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 43 H 7.68 4.88 0.00 3.31 3.24 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.67 4.07 0.00 1.98 1.91 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 2.32 2.26 0.00 45 P 0.00 4.59 0.00 2.19 2.09 0.00 3.79 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 2.00 2.00 0.00 46 L 8.01 4.10 0.00 1.66 1.64 0.96 0.92 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 47 G 8.10 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 K 7.94 4.52 0.00 1.76 1.77 0.00 1.81 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.65 4.42 0.00 3.79 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.86 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 0.00 0.00 0.00 51 F 8.16 4.95 0.00 3.14 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 52 K 8.47 4.35 0.00 1.72 1.66 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.74 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.22 1.37 7.81 53 R 8.08 4.71 0.00 1.80 1.91 0.00 3.35 0.00 0.00 3.32 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.67 0.00 54 P 0.00 4.40 0.00 2.23 2.21 0.00 3.79 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 2.10 2.02 0.00 55 Q 8.85 3.93 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.39 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 56 K 7.96 4.48 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.42 7.81 57 V 8.07 4.37 2.24 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 0.86 0.00 0.00 0.95 0.00 0.00 58 Q 7.89 4.62 0.00 2.23 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.77 6.49 0.00 0.00 0.00 0.00 0.00 2.27 2.53 0.00 59 E 8.50 5.36 0.00 1.99 1.90 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 2.28 2.26 0.00 60 E 8.54 4.47 0.00 1.93 1.71 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 0.00 2.15 2.20 0.00 61 A 8.24 3.64 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.75 4.46 1.16 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 63 T 8.13 5.27 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 64 I 7.93 4.62 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 1.35 1.38 0.96 0.00 0.00 65 D 8.61 5.27 0.00 2.64 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 66 V 8.47 3.60 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 0.91 0.00 0.00 1.00 0.00 0.00 67 R 7.86 3.85 0.00 2.10 1.97 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 68 E 8.06 3.96 0.00 2.00 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 2.31 2.33 0.00 69 I 7.56 3.82 2.00 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 1.53 0.66 0.90 0.00 0.00 70 D 8.65 4.31 0.00 2.82 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 71 E 7.86 4.22 0.00 2.06 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 2.50 0.00 72 N 7.61 5.01 0.00 2.62 2.70 0.00 0.00 6.84 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 73 V 7.53 3.27 0.67 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 0.45 0.00 0.00 0.47 0.00 0.00 74 T 7.59 3.63 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 75 L 7.22 4.27 0.00 1.59 1.75 0.97 0.94 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 76 L 7.80 4.47 0.00 1.73 1.66 0.88 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 77 A 8.13 4.23 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 *78 A 8.09 4.26 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 79 D 9.41 4.25 0.00 2.91 2.62 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 80 D 7.45 4.09 0.00 3.17 2.80 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 81 V 7.88 4.44 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 0.43 0.00 0.00 0.99 0.00 0.00 82 A 7.49 4.29 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 83 E 8.78 3.82 0.00 2.05 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 0.00 2.26 2.33 0.00 *89 F 7.73 4.49 0.00 2.98 3.26 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 90 R 8.31 5.13 0.00 1.81 1.86 0.00 3.22 0.00 0.00 3.53 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 91 V 9.06 4.42 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 0.73 0.00 0.00 0.96 0.00 0.00 92 D 8.83 4.94 0.00 2.78 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 93 V 8.56 3.67 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 0.89 0.00 0.00 1.00 0.00 0.00 94 R 7.83 3.77 0.00 2.02 2.01 0.00 3.21 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 95 D 8.51 4.75 0.00 2.72 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 96 V 8.16 4.15 2.22 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 0.75 0.00 0.00 0.94 0.00 0.00 97 V 7.63 3.63 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 0.82 0.00 0.00 0.97 0.00 0.00 98 E 8.52 4.33 0.00 2.05 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 2.35 2.31 0.00 99 E 8.83 3.88 0.00 2.17 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 0.00 2.25 2.27 0.00 100 A 7.58 4.18 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 0.00 101 D 8.15 4.67 0.00 2.70 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 0.00 102 D 7.93 4.44 0.00 2.76 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 0.00 103 A 7.55 4.96 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 0.00 104 D 8.65 4.53 0.00 2.64 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 0.00 105 Y 6.46 4.80 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.84 4.78 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 0.90 0.00 0.00 0.92 0.00 0.00 107 K 8.74 4.94 0.00 2.09 1.62 0.00 1.92 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.54 7.81 108 V 8.38 4.60 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 1.08 0.00 0.00 0.89 0.00 0.00 109 L 9.34 4.60 0.00 1.81 1.57 0.92 0.73 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 0.00 110 G 7.87 4.21 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 0.00 0.00 0.00 111 A 8.17 4.62 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 0.00 112 G 8.92 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 0.00 0.00 0.00 113 Q 8.21 4.61 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.01 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 114 V 7.77 4.45 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 1.08 0.00 0.00 0.94 0.00 0.00 115 R 8.35 4.40 0.00 1.64 1.81 0.00 3.24 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 116 H 7.76 4.81 0.00 3.14 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.69 4.85 0.00 1.91 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.24 0.00 118 L 8.58 5.03 0.00 1.59 1.57 1.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 119 T 9.11 5.09 4.36 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 1.24 0.00 0.00 120 L 8.58 4.90 0.00 1.77 1.86 1.03 0.66 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 0.00 121 I 9.20 5.72 2.06 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.74 1.03 0.00 0.00 122 A 8.52 4.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 D 8.67 4.51 0.00 2.82 2.62 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 0.00 124 D 6.67 4.60 0.00 2.56 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.90 5.52 0.00 2.88 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 0.00 126 S 8.52 4.76 0.00 3.89 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 9.24 3.96 0.00 2.07 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 2.59 2.43 0.00 128 G 8.22 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.41 4.08 1.54 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 0.00 130 R 7.98 3.73 0.00 2.00 1.92 0.00 3.15 0.00 0.00 3.43 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 131 E 7.98 3.70 0.00 2.19 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 2.34 2.40 0.00 132 K 7.54 4.06 0.00 1.68 1.86 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.59 7.81 133 V 7.69 3.74 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 1.03 0.00 0.00 1.02 0.00 0.00 134 E 8.26 4.87 0.00 2.14 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 2.36 2.10 0.00 135 G 7.44 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 0.00 0.00 0.00 136 A 8.06 4.71 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 0.00 137 G 8.37 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.12 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.85 5.30 0.00 3.83 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 0.00 140 V 8.14 4.48 1.70 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 0.34 0.00 0.00 -0.50 0.00 0.00 141 E 9.39 4.64 0.00 2.02 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 2.21 2.20 0.00 142 L 8.65 4.86 0.00 1.77 1.63 1.13 1.13 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 0.00 143 T 8.65 4.27 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 144 D 8.83 4.44 0.00 2.71 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 0.00 145 L 8.02 3.96 0.00 1.60 1.84 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 146 G 7.78 4.05 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 0.00 0.00 0.00 147 E 8.04 4.35 0.00 2.04 1.93 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 2.34 2.47 0.00 148 E 7.70 4.52 0.00 1.78 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 2.15 2.46 0.00 149 R 7.99 4.34 0.00 1.77 1.89 0.00 3.34 0.00 0.00 3.16 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 150 Q 8.34 4.33 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.65 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 * Residues marked with a * may have inaccurate shift predictions.