NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.3364 8.2493 123.5912 51.1875 20.2538 176.2113 9 P 4.2181 0.0000 0.0000 63.2504 32.2061 170.0219 10 V 4.2217 8.3099 125.0109 61.1525 33.6573 175.0524 11 E 5.1509 8.7484 128.5558 54.3660 32.2550 174.9624 12 V 4.5516 9.4477 126.0655 61.5425 34.6781 174.1730 13 T 5.0266 10.0930 123.6515 61.3202 71.8214 171.8484 14 Y 4.7473 7.8072 130.9680 57.0336 40.8922 170.5199 15 K 4.0984 8.0441 126.8385 57.6277 34.9684 176.8125 16 N 4.5343 7.4051 115.8324 50.8561 36.7154 174.5796 *18 R 4.1437 7.4436 118.3359 56.9043 32.2032 174.7609 19 F 5.5565 9.5428 124.8173 55.5948 43.2005 174.0684 20 L 5.0161 8.8654 124.2555 53.5263 44.2261 175.0518 21 I 4.9154 8.7411 129.0931 60.5282 38.5756 175.4183 22 T 4.6823 8.5399 116.2311 59.9663 72.8482 173.2589 23 H 4.6383 8.6222 119.1704 55.2421 30.6083 173.9116 24 N 4.7613 8.6058 118.2137 52.5429 39.5625 173.2217 25 P 4.4289 0.0000 0.0000 61.1648 33.7339 173.4384 26 T 4.8044 7.4710 107.0609 59.6749 71.8765 174.4989 27 N 4.3469 8.8041 118.1032 56.1562 38.5669 176.1005 28 A 4.4876 7.4964 117.9017 52.5451 18.5785 178.2744 29 T 4.5894 7.8268 110.6154 63.7257 72.9586 175.5611 30 L 3.9674 7.9559 124.8026 57.8697 42.0810 178.4585 31 N 4.3023 8.0899 116.2704 56.3272 38.7523 177.0554 32 K 3.9978 8.0167 120.4046 59.3709 32.4439 178.4414 33 F 4.2707 8.1185 120.7377 61.3124 39.2291 177.3015 34 I 3.5511 8.1191 119.7375 64.1424 36.9952 177.9676 35 E 3.9280 7.9977 119.2277 59.7004 29.4779 179.4505 36 E 4.0123 7.9971 117.7680 59.2942 29.6557 179.2910 37 L 3.9093 7.5196 118.6520 57.9451 41.6808 179.7049 38 K 3.9259 8.2985 118.5528 59.4818 31.7028 179.4983 39 K 3.9257 7.6481 117.6420 59.4521 32.0126 178.0667 40 Y 4.4188 7.7276 113.7177 57.1172 37.9426 175.5028 41 G 3.8161 8.0142 108.0122 46.5512 0.0000 174.2618 42 V 4.5447 7.9192 119.4286 61.7591 32.0035 175.3978 43 T 4.4458 8.5426 118.2071 63.8461 70.5003 174.6768 44 T 5.2220 7.6350 109.9915 60.1108 72.8473 172.6545 45 I 4.9402 9.0283 123.1762 59.3175 41.8531 174.1142 46 V 4.2584 8.9914 129.6505 61.2145 33.3841 174.5450 47 R 4.5655 8.6921 130.6137 55.7092 30.7511 176.6500 48 V 5.0211 8.5675 125.5392 61.2286 32.8449 174.9639 49 C 5.1372 7.3117 116.8451 56.4796 32.4579 173.2242 50 E 4.0409 8.6498 115.8996 56.1198 30.0029 176.2586 51 A 3.9582 8.3665 124.9220 52.6145 18.8110 177.4172 52 T 4.6009 8.1709 110.6811 61.0245 70.2853 172.7127 53 Y 4.6980 6.9082 118.5484 55.6891 40.9737 173.5443 54 D 4.5205 8.7622 120.6900 53.5084 41.3717 177.2079 55 T 4.1747 8.3530 118.7766 64.7805 69.0154 176.3872 56 T 3.9393 8.1092 112.4986 64.6139 68.2926 176.3933 57 L 4.0526 7.5668 121.6687 57.4945 41.9196 179.2635 58 V 3.7390 7.7264 117.7179 66.2690 31.7711 177.6188 59 E 4.6639 8.2554 119.5944 58.6285 28.9871 179.5273 60 K 3.9786 7.5921 118.4842 59.4742 32.3242 177.4393 61 E 4.2208 7.8606 115.5282 56.6320 28.9655 177.7635 62 G 3.8448 8.0730 106.6181 45.1420 0.0000 173.5386 63 I 4.4546 7.2410 121.1103 59.9447 39.0153 174.9773 64 H 4.7482 8.9782 124.9637 55.5424 30.1119 174.5737 65 V 4.9284 8.3242 120.5394 61.1229 34.5087 174.6108 66 L 4.4398 8.3917 126.0915 53.0396 45.0953 175.2111 67 D 5.0630 8.6520 124.4365 52.3663 40.9675 174.7138 68 W 5.1909 8.5575 125.2989 53.8502 29.3804 171.9710 69 P 5.6867 0.0000 0.0000 61.4559 32.3595 176.0339 70 F 5.1451 8.1330 116.0764 54.7989 41.0054 174.0315 71 D 4.3778 8.9843 119.5099 54.6150 41.2466 176.0171 72 D 4.3005 8.4663 122.4609 55.7815 41.8601 175.3559 73 G 4.2985 9.0635 118.6959 45.8193 0.0000 174.0979 74 A 4.1693 6.9998 121.2238 50.7989 18.9684 175.3867 75 P 4.0450 0.0000 0.0000 61.2309 32.2760 174.7807 76 P 3.3705 0.0000 0.0000 61.8359 32.0377 176.7479 77 S 4.2515 8.0080 115.7273 58.5246 64.7378 175.2754 78 N 4.3790 8.4834 118.8084 56.3570 38.1896 177.6393 79 Q 3.8992 7.9618 119.0032 59.0512 28.7986 178.9502 80 I 3.2961 7.5442 120.5997 64.2708 37.1156 178.6100 81 V 3.7053 7.5477 118.7135 65.9427 31.2906 177.4613 82 D 4.3267 8.2829 117.8238 57.5593 41.0827 177.9943 83 D 4.2092 8.1145 119.5826 56.9380 40.6141 178.2781 84 W 5.0057 8.4047 129.2330 61.1156 30.6042 177.9318 85 L 3.7996 8.2910 118.5362 57.8154 41.0679 179.7240 86 S 4.1108 8.1407 115.0868 61.4852 62.7706 176.4846 87 L 3.9603 8.3803 123.3327 58.1086 42.0286 179.1541 88 V 3.4908 7.6586 118.1988 65.8861 31.2699 177.6532 89 K 4.0023 7.9745 118.1115 59.7114 32.2758 178.3095 90 I 3.9774 7.7035 119.5705 63.8047 37.2459 177.8588 91 K 3.6755 7.9645 120.5060 59.8402 31.7728 178.6949 92 F 4.2748 7.2865 114.2603 59.3252 38.7908 177.1094 93 R 4.2397 7.6309 117.6479 58.8228 30.5380 177.1984 94 E 4.1954 8.5613 117.9421 57.7418 31.1122 176.3198 95 E 4.5435 8.6306 120.3647 52.4586 29.4830 171.5045 96 P 4.5342 0.0000 0.0000 63.8576 32.0499 177.1523 97 G 3.9546 9.0654 110.8609 45.4557 0.0000 172.9341 98 C 4.4914 7.6440 114.4472 57.8702 30.9759 172.1657 99 C 5.0381 8.3093 117.5874 57.8610 34.8490 172.4353 100 I 4.8888 8.5650 126.6034 59.7706 38.9987 174.3141 101 A 5.2050 8.5540 129.5160 50.6151 21.0511 175.8441 102 V 5.0536 8.9061 122.2812 61.3209 34.9962 174.0970 103 H 5.4307 9.2354 121.3298 53.5472 32.1747 172.6761 104 S 4.6952 8.1185 114.6556 57.7383 65.4421 173.1393 105 V 3.6367 8.6304 117.3009 66.2548 31.7198 178.2236 106 A 4.1436 7.8601 121.2409 52.6522 18.9831 178.1381 107 G 3.8004 7.8721 102.8781 46.3364 0.0000 174.1017 108 L 4.4346 7.8863 117.8193 53.8339 43.1413 176.3839 109 G 3.9422 6.9707 105.0072 45.8160 0.0000 174.9156 110 R 3.8445 8.0249 116.6620 58.4821 30.5715 178.8965 111 A 3.8314 7.6936 119.4866 54.8733 18.4686 177.5907 112 P 4.1752 0.0000 0.0000 65.7828 31.1933 179.0085 113 V 3.8546 8.0902 117.0559 66.1465 31.5413 178.1784 114 L 3.8854 7.6677 118.8584 57.5145 41.2189 179.6895 115 V 3.3969 7.7766 118.2413 65.6930 31.3654 177.9453 116 A 4.0409 8.2782 120.7157 55.3547 18.2889 179.6090 117 L 3.7334 8.3988 117.5849 57.6747 41.5512 179.8382 118 A 4.0796 8.0122 120.4141 55.2298 18.1819 179.6158 119 L 4.0659 7.7547 116.2404 57.9750 41.8586 179.6227 120 I 3.8990 8.0609 119.8594 64.5913 36.9283 178.4468 121 E 4.1927 8.3743 117.9001 58.8706 29.3220 178.7255 122 G 4.0431 7.8042 103.7624 44.2493 0.0000 174.0230 123 G 4.2387 7.8908 110.9454 46.2658 0.0000 174.1717 *125 K 4.1575 7.6508 119.6374 56.1564 35.2371 176.1139 126 Y 4.1291 8.4714 120.0017 60.6124 37.4499 178.6475 127 E 3.3276 7.3100 119.2929 58.3796 29.4327 178.7424 128 D 4.2991 7.6647 118.7382 57.0082 40.9507 178.3591 129 A 3.9586 8.1081 121.3911 54.7753 18.3264 179.9691 130 V 3.6420 7.6550 117.1283 66.1530 31.6134 178.4129 131 Q 4.0005 7.7843 117.3794 59.0046 28.4161 178.0369 132 F 4.0906 8.2592 120.5880 61.7260 39.5395 177.0907 133 I 3.9802 7.8045 119.0433 64.4566 36.9546 178.6243 134 R 4.5905 8.2219 119.8338 58.3378 29.5732 178.7098 135 Q 3.8515 8.0675 118.9881 58.3316 28.9688 177.4505 136 K 4.6383 8.1402 118.1212 55.6916 34.0368 175.9980 137 R 4.2649 7.1998 118.0053 54.7874 30.2816 176.3552 138 R 3.1506 6.8132 120.2154 56.6649 32.9130 176.6603 139 G 3.9808 7.6249 107.1466 44.4045 0.0000 174.4704 140 A 3.5568 7.5437 120.4534 54.1891 19.0690 177.8963 141 F 4.8869 7.4853 112.4822 55.2477 43.3634 173.8633 142 N 4.9972 8.6481 121.3841 51.0512 40.8048 176.1355 143 S 4.1504 8.5828 116.0749 61.8524 62.8261 176.9984 144 K 3.9555 8.1184 121.2701 59.8205 32.0594 178.6208 145 Q 4.1384 8.6453 118.2864 59.0123 28.6315 178.8762 146 L 3.9648 8.2877 120.2349 57.6799 41.6397 179.3197 147 L 3.9278 8.1450 120.3830 58.0500 41.8528 178.4062 148 Y 4.0190 8.1668 119.5696 60.8218 38.5922 178.1543 149 L 3.7332 7.8495 118.4325 57.4654 41.6893 178.8205 150 E 2.5400 7.5276 118.7720 57.9959 29.5829 178.0505 151 K 4.1763 7.3698 115.5497 55.4286 32.8721 176.2811 152 Y 3.8712 6.9279 121.9561 57.2348 39.1705 174.9076 153 R 4.2350 7.5267 126.0500 53.5637 31.7482 174.2568 154 P 4.5807 0.0000 0.0000 62.0629 32.8772 176.1009 155 K 4.0457 8.5772 118.5983 56.9240 32.3213 175.1203 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 8 A 8.25 4.34 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 9 P 0.00 4.22 0.00 1.78 1.98 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.15 0.00 10 V 8.31 4.22 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 0.97 0.00 0.00 0.94 0.00 0.00 11 E 8.75 5.15 0.00 1.91 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 0.00 2.23 2.23 0.00 12 V 9.45 4.55 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 1.07 0.00 0.00 0.99 0.00 0.00 13 T 10.09 5.03 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 1.26 0.00 0.00 14 Y 7.81 4.75 0.00 3.09 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 15 K 8.04 4.10 0.00 1.54 1.07 0.00 1.36 0.00 0.00 1.46 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.80 1.10 7.81 16 N 7.41 4.53 0.00 2.76 2.77 0.00 0.00 5.91 7.66 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 *18 R 7.44 4.14 0.00 1.89 2.09 0.00 3.16 0.00 0.00 3.38 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 19 F 9.54 5.56 0.00 3.17 3.10 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 20 L 8.87 5.02 0.00 1.70 1.52 0.58 0.79 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 21 I 8.74 4.92 1.84 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 1.32 0.62 0.85 0.00 0.00 22 T 8.54 4.68 4.51 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 1.20 0.00 0.00 23 H 8.62 4.64 0.00 3.07 3.26 0.00 5.69 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.61 4.76 0.00 2.91 2.66 0.00 0.00 6.80 7.69 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 25 P 0.00 4.43 0.00 1.35 0.49 0.00 3.60 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.44 0.00 26 T 7.47 4.80 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 1.18 0.00 0.00 27 N 8.80 4.35 0.00 2.76 2.96 0.00 0.00 6.83 7.35 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 28 A 7.50 4.49 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.83 4.59 4.15 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 1.19 0.00 0.00 30 L 7.96 3.97 0.00 1.81 1.66 1.06 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.09 4.30 0.00 2.78 2.85 0.00 0.00 6.80 6.91 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 32 K 8.02 4.00 0.00 1.84 1.98 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 33 F 8.12 4.27 0.00 3.07 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 34 I 8.12 3.55 1.85 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 1.50 0.80 0.87 0.00 0.00 35 E 8.00 3.93 0.00 2.29 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 0.00 2.32 2.36 0.00 36 E 8.00 4.01 0.00 2.12 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.57 0.00 37 L 7.52 3.91 0.00 1.71 1.58 0.52 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.30 3.93 0.00 1.85 1.84 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.67 7.81 39 K 7.65 3.93 0.00 1.92 1.56 0.00 1.55 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.54 7.81 40 Y 7.73 4.42 0.00 2.95 2.98 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 41 G 8.01 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 42 V 7.92 4.54 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 1.07 0.00 0.00 0.99 0.00 0.00 43 T 8.54 4.45 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 1.25 0.00 0.00 44 T 7.63 5.22 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 1.22 0.00 0.00 45 I 9.03 4.94 1.89 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.63 0.99 0.00 0.00 46 V 8.99 4.26 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 0.54 0.00 0.00 1.05 0.00 0.00 47 R 8.69 4.57 0.00 2.06 1.77 0.00 3.36 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 48 V 8.57 5.02 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 0.06 0.00 0.00 1.31 0.00 0.00 49 C 7.31 5.14 0.00 2.80 2.76 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 50 E 8.65 4.04 0.00 2.05 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 2.22 2.20 0.00 51 A 8.37 3.96 1.12 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 52 T 8.17 4.60 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 1.20 0.00 0.00 53 Y 6.91 4.70 0.00 3.05 2.92 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 54 D 8.76 4.52 0.00 2.73 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 55 T 8.35 4.17 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 0.98 0.00 0.00 56 T 8.11 3.94 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 1.22 0.00 0.00 57 L 7.57 4.05 0.00 1.68 1.82 0.98 0.90 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 58 V 7.73 3.74 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 1.15 0.00 0.00 1.08 0.00 0.00 59 E 8.26 4.66 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 60 K 7.59 3.98 0.00 1.99 2.09 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.06 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.49 7.81 61 E 7.86 4.22 0.00 2.00 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 2.54 2.39 0.00 62 G 8.07 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 63 I 7.24 4.45 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.88 0.89 0.00 0.00 64 H 8.98 4.75 0.00 3.15 3.22 0.00 5.75 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 V 8.32 4.93 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 0.88 0.00 0.00 0.97 0.00 0.00 66 L 8.39 4.44 0.00 0.89 0.14 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.65 5.06 0.00 2.62 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 68 W 8.56 5.19 0.00 3.51 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 69 P 0.00 5.69 0.00 2.08 2.22 0.00 3.52 0.00 0.00 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.83 0.00 70 F 8.13 5.15 0.00 2.90 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 71 D 8.98 4.38 0.00 2.86 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 72 D 8.47 4.30 0.00 2.54 2.54 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 73 G 9.06 4.30 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 0.00 74 A 7.00 4.17 1.25 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 0.00 0.00 75 P 0.00 4.04 0.00 1.88 1.67 0.00 3.73 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 1.90 1.91 0.00 76 P 0.00 3.37 0.00 1.48 0.49 0.00 2.93 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.58 0.00 77 S 8.01 4.25 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 78 N 8.48 4.38 0.00 2.73 2.90 0.00 0.00 6.80 8.05 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 79 Q 7.96 3.90 0.00 1.97 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.34 0.00 80 I 7.54 3.30 1.64 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.53 0.86 0.00 0.00 81 V 7.55 3.71 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 1.19 0.00 0.00 1.04 0.00 0.00 82 D 8.28 4.33 0.00 3.08 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 83 D 8.11 4.21 0.00 1.60 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 W 8.40 5.01 0.00 3.56 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.29 3.80 0.00 1.91 1.73 1.08 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.14 4.11 0.00 4.07 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 87 L 8.38 3.96 0.00 2.02 2.16 0.93 1.06 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 88 V 7.66 3.49 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 1.22 0.00 0.00 -0.06 0.00 0.00 89 K 7.97 4.00 0.00 1.87 1.99 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.52 7.81 90 I 7.70 3.98 1.87 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 1.62 0.80 0.91 0.00 0.00 91 K 7.96 3.68 0.00 1.82 1.26 0.00 1.42 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.15 1.24 7.81 92 F 7.29 4.27 0.00 3.12 3.22 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 93 R 7.63 4.24 0.00 1.99 2.03 0.00 3.25 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.69 0.00 94 E 8.56 4.20 0.00 1.93 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 2.29 2.30 0.00 95 E 8.63 4.54 0.00 1.90 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 2.16 2.21 0.00 96 P 0.00 4.53 0.00 2.09 2.02 0.00 3.78 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 2.04 2.25 0.00 97 G 9.07 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 98 C 7.64 4.49 0.00 3.08 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 99 C 8.31 5.04 0.00 3.09 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 0.00 100 I 8.56 4.89 2.17 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 -0.10 1.26 0.00 0.00 101 A 8.55 5.20 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 0.00 102 V 8.91 5.05 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 0.81 0.00 0.00 1.16 0.00 0.00 103 H 9.24 5.43 0.00 3.41 3.44 0.00 5.53 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.12 4.70 0.00 3.66 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 0.00 105 V 8.63 3.64 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.86 0.00 0.00 106 A 7.86 4.14 1.25 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 0.00 0.00 107 G 7.87 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 0.00 0.00 0.00 108 L 7.89 4.43 0.00 1.53 1.70 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 109 G 6.97 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 0.00 0.00 0.00 110 R 8.02 3.84 0.00 1.53 1.43 0.00 2.21 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 1.44 0.00 111 A 7.69 3.83 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 0.00 112 P 0.00 4.18 0.00 1.88 1.71 0.00 3.54 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.98 0.00 113 V 8.09 3.85 2.36 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 1.23 0.00 0.00 1.29 0.00 0.00 114 L 7.67 3.89 0.00 1.15 0.13 0.24 0.62 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 0.00 115 V 7.78 3.40 2.26 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 0.99 0.00 0.00 0.87 0.00 0.00 116 A 8.28 4.04 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 0.00 117 L 8.40 3.73 0.00 1.93 1.68 0.87 -0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.01 4.08 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 0.00 119 L 7.75 4.07 0.00 1.78 1.57 1.04 1.01 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 0.00 120 I 8.06 3.90 2.10 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 1.56 1.01 1.07 0.00 0.00 121 E 8.37 4.19 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.61 0.00 122 G 7.80 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 7.89 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *125 K 7.65 4.16 0.00 1.93 1.96 0.00 1.64 0.00 0.00 1.86 0.00 0.00 3.10 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.43 1.49 7.81 126 Y 8.47 4.13 0.00 3.19 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 0.00 127 E 7.31 3.33 0.00 1.79 1.66 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 2.07 1.47 0.00 128 D 7.66 4.30 0.00 2.92 2.56 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 0.00 129 A 8.11 3.96 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 0.00 130 V 7.66 3.64 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 1.05 0.00 0.00 0.68 0.00 0.00 131 Q 7.78 4.00 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.48 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 132 F 8.26 4.09 0.00 3.08 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 0.00 133 I 7.80 3.98 2.17 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.75 0.91 0.00 0.00 134 R 8.22 4.59 0.00 2.00 2.02 0.00 3.29 0.00 0.00 3.27 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 135 Q 8.07 3.85 0.00 2.17 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.32 2.42 0.00 136 K 8.14 4.64 0.00 1.73 1.77 0.00 1.44 0.00 0.00 1.40 0.00 0.00 3.20 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.55 1.39 7.81 137 R 7.20 4.26 0.00 1.85 1.65 0.00 3.12 0.00 0.00 3.03 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.47 0.00 138 R 6.81 3.15 0.00 1.79 1.71 0.00 3.31 0.00 0.00 3.22 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 139 G 7.62 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 0.00 140 A 7.54 3.56 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 7.49 4.89 0.00 3.13 2.92 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 0.00 142 N 8.65 5.00 0.00 2.96 2.98 0.00 0.00 7.16 8.23 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 0.00 143 S 8.58 4.15 0.00 3.92 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 0.00 144 K 8.12 3.96 0.00 1.85 1.96 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.57 7.81 145 Q 8.65 4.14 0.00 2.46 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.74 0.00 146 L 8.29 3.96 0.00 1.93 1.79 1.00 0.41 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 0.00 147 L 8.15 3.93 0.00 1.88 1.85 0.89 0.68 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 0.00 148 Y 8.17 4.02 0.00 3.12 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 0.00 149 L 7.85 3.73 0.00 1.73 1.68 0.46 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 E 7.53 2.54 0.00 1.51 1.79 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 1.86 1.78 0.00 151 K 7.37 4.18 0.00 1.66 1.72 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.31 1.48 7.81 152 Y 6.93 3.87 0.00 2.38 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 0.00 153 R 7.53 4.23 0.00 1.53 1.62 0.00 3.15 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.55 0.00 154 P 0.00 4.58 0.00 2.21 2.20 0.00 3.66 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 155 K 8.58 4.05 0.00 1.58 1.62 0.00 1.68 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.