NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 N 4.8908 8.2833 119.4835 53.4454 40.1869 170.8679 3 I 4.9013 9.2652 124.7437 58.6653 39.9998 172.6429 4 N 5.4722 10.2273 126.3276 51.5005 42.2631 173.6601 5 I 5.0205 8.6169 123.1150 59.7940 40.3792 174.9549 6 V 4.6765 8.9860 129.6949 61.7409 32.6352 174.8223 7 T 5.7581 8.6551 118.1296 59.2465 72.3105 172.8773 8 I 4.6639 8.0889 122.4672 60.3844 39.2934 176.1247 9 G 4.0096 9.5696 116.9290 45.2105 0.0000 173.3152 10 K 4.4122 8.4307 123.9673 55.1237 32.9401 176.7228 11 L 3.9510 8.5177 126.3459 55.5675 41.9423 175.1205 12 K 4.2915 7.8882 122.3646 57.5488 35.1519 175.5520 13 E 3.9940 7.8262 124.0774 56.7415 29.5948 178.0130 14 K 3.8228 8.8930 125.1024 59.9077 31.6637 178.2366 15 Y 4.2492 8.2526 117.1374 60.2957 37.5707 178.6364 16 L 3.8568 7.3367 120.7372 57.0931 41.6015 179.3057 17 K 3.8496 7.6041 118.0681 59.7011 31.9975 179.1452 18 Q 4.0344 8.0864 119.2645 58.8988 29.0011 178.2944 19 G 3.5877 7.7784 105.6301 47.8147 0.0000 175.7677 20 I 3.7690 7.8789 122.8266 64.0095 37.2492 177.8770 21 E 3.8696 8.2678 120.2190 59.6158 29.2020 178.6189 22 E 3.8404 8.3553 119.1446 59.3767 29.5562 178.4229 23 Y 3.9428 7.8617 116.8203 61.0550 38.0236 177.8999 24 T 3.9178 8.7944 117.5500 66.7666 68.3592 176.7484 25 K 3.9627 7.7146 118.8580 59.4830 31.9006 179.1836 26 R 3.9553 7.6336 119.0110 59.1992 29.8122 178.3027 27 L 3.9916 8.3043 120.6549 57.9563 41.3034 178.8197 28 S 4.5656 8.3033 116.5033 60.7832 62.5187 175.9757 29 A 3.9466 7.5428 121.0724 53.7254 18.2461 177.9185 30 Y 4.2885 7.7691 113.9592 57.9299 40.0028 175.5053 31 A 4.3919 6.5535 120.2053 50.6070 22.7534 174.8279 32 K 4.4917 8.4346 121.8934 56.3969 33.2472 175.8460 33 I 5.4399 8.2279 127.1545 58.7888 41.0337 174.6665 34 D 4.7807 8.5353 123.7939 53.1330 45.5425 173.9571 35 I 4.7971 8.4469 123.7338 59.8606 39.1720 175.2052 36 I 4.4024 9.1850 129.5266 59.7727 38.4072 174.1382 37 E 5.0394 8.6510 125.5069 54.6324 31.2746 175.3782 38 L 4.9584 8.5398 123.1512 51.9577 44.9647 174.4785 39 P 4.6874 0.0000 0.0000 62.6707 32.5050 175.5297 40 D 4.5956 8.3844 120.3377 53.6296 41.2909 175.6938 41 E 4.3140 7.5330 121.1904 58.5238 30.8593 181.3618 42 K 4.3850 7.3628 129.3976 55.8556 31.8108 180.1567 *50 Q 4.0787 8.4577 114.7302 55.6657 28.2404 174.3314 51 D 4.4046 8.1544 124.1481 54.3274 41.8009 177.0486 *53 K 4.2071 8.4047 122.0638 55.6126 34.1668 177.0496 54 I 3.6525 7.7529 118.0390 64.8379 37.6069 177.2605 55 I 3.9141 7.7017 113.5549 63.5903 37.6215 177.9276 56 K 3.9861 8.2631 121.7436 59.3453 31.9687 178.3738 57 D 4.4873 8.0285 118.4100 56.4413 40.8057 178.7447 58 K 3.9847 7.5099 118.3349 59.5138 32.1949 179.1958 59 E 4.0748 8.2886 119.0176 59.0148 29.2900 179.5098 60 G 3.6442 7.9579 105.9537 48.0453 0.0000 175.2722 61 D 4.3980 8.1914 122.0246 57.0990 40.6767 179.3187 62 R 3.9571 7.9328 117.1012 59.2596 30.3040 178.9460 63 I 3.8740 8.3396 120.0201 64.4050 37.1155 178.4796 64 L 4.0520 8.0253 120.0839 57.6689 41.2024 179.6015 65 S 4.2555 8.0905 113.1339 60.5906 62.9773 175.2350 66 K 4.2094 7.7143 120.3684 56.9209 32.4442 176.4397 67 I 4.2662 7.3491 121.2029 59.5528 38.0684 175.9045 68 S 4.4494 8.4109 120.5318 56.9945 63.8491 173.5297 69 P 4.3481 0.0000 0.0000 65.3412 31.1675 176.8474 70 D 4.5455 7.4531 116.9372 54.8938 41.3039 176.4492 71 A 4.4315 7.6478 121.7787 51.9173 19.5280 176.6566 72 H 4.6813 9.2483 122.1504 55.0317 31.4248 174.0552 73 V 4.5094 8.9088 127.4479 61.7466 33.2562 174.5152 74 I 4.6204 8.6327 129.2725 59.6114 39.4195 174.3258 75 A 4.8859 9.2209 130.3594 50.5294 20.7780 175.8820 76 L 4.9090 8.5509 123.1894 54.3027 41.9727 176.3092 77 A 4.7898 9.2723 125.5698 50.3913 23.0996 177.1688 78 I 3.7465 8.2899 112.0691 64.0313 37.8228 177.9040 79 E 4.1277 8.1237 117.3945 56.2942 29.6479 176.1702 80 G 4.0463 7.4946 107.0685 45.2982 0.0000 175.9688 81 K 4.3973 8.0984 117.8739 55.9321 33.7754 176.7447 *83 K 4.6118 8.5427 122.6521 57.6163 33.6610 175.7464 84 T 4.3979 8.4309 111.5333 60.3612 70.4394 176.0591 85 S 4.1555 8.5735 118.5826 61.9555 62.8605 176.8553 86 E 4.0228 7.9973 120.6064 59.5519 29.4621 178.7370 87 E 3.8792 8.1753 118.4652 59.6934 29.6075 179.4543 88 L 3.9991 8.0283 119.8081 57.7294 42.0021 178.6566 89 A 3.9766 8.0812 120.8060 54.4346 18.4466 178.9085 90 D 4.2770 7.8234 116.7392 57.1922 41.5471 178.1646 91 T 4.0003 7.8412 110.2863 64.2697 68.8180 176.7126 92 I 3.7284 7.4287 120.6105 63.5098 38.3540 176.9906 93 D 4.3484 7.6697 119.1864 57.0452 41.1743 178.3579 94 K 3.9860 7.9046 118.6441 59.0741 31.8611 179.0004 95 L 4.1206 7.6892 117.2398 56.3369 41.6465 178.0628 96 A 4.4702 7.4441 119.3204 52.6050 19.5022 178.4869 97 T 3.7053 6.9767 108.0249 63.6850 68.6348 173.4291 98 Y 4.6484 6.9988 116.7279 55.6138 40.0784 175.5843 99 G 3.7155 8.3410 109.7359 48.7276 0.0000 175.1891 100 K 4.3781 7.7009 121.4140 54.6970 31.1432 177.5769 101 S 4.6169 7.6444 113.2565 57.1307 65.1045 173.8373 102 K 4.8157 8.5334 124.3741 54.5733 35.1496 174.4398 103 V 4.8203 8.5913 126.5635 61.3576 34.6783 174.0438 104 T 5.1196 8.8206 124.5389 61.8855 71.4019 172.9547 105 F 5.1324 9.4029 126.2444 56.1865 41.3732 175.0935 106 V 4.8383 8.8054 122.7566 61.1940 34.3758 174.0631 107 I 4.5818 8.8301 129.2975 59.6274 39.5824 176.1588 108 G 4.0188 8.6852 115.4125 45.5403 0.0000 171.7337 109 G 4.0658 8.1755 108.5968 43.7689 0.0000 174.1477 110 S 4.1909 8.9515 114.7243 61.7143 62.6837 176.5564 111 L 3.9313 7.8072 118.2427 57.0023 40.3150 177.6690 112 G 3.9611 8.2805 105.0245 44.8608 0.0000 172.3769 113 L 4.3844 7.8962 118.5168 53.3372 42.5630 177.5274 114 S 4.4492 8.3309 117.3855 57.8276 63.8659 174.0859 115 D 4.5005 8.5192 120.6868 57.4393 40.7889 178.4341 116 T 4.0235 7.9183 109.3680 64.6052 69.1447 177.0807 117 V 3.6462 7.5013 120.9029 62.8453 30.7053 177.6343 *119 K 4.1907 8.0610 119.3153 55.7057 33.9125 177.2639 120 R 4.0064 7.6045 117.8498 58.2355 30.3319 176.8550 121 A 3.9677 7.9936 121.0251 53.0117 18.4878 177.0709 122 D 4.5794 8.5427 122.7492 56.4231 41.8030 176.2681 123 E 4.7467 8.2725 118.6322 54.7236 33.9663 173.7148 124 K 5.0875 8.7002 124.3658 54.5622 35.2926 174.7665 125 L 5.2436 9.5018 126.1942 53.3018 45.6285 174.8370 126 S 5.2712 9.0035 120.1794 55.9339 64.2393 173.6760 127 F 4.4308 9.1100 124.2087 58.9391 40.0076 175.7038 128 S 4.5516 7.2155 112.1224 57.2724 65.4011 173.7008 129 K 4.0838 8.1409 122.1453 56.7543 31.8490 178.3310 *131 T 3.9198 7.7380 114.8813 63.5458 69.1623 173.7782 132 F 5.2331 8.3135 125.6573 54.7583 40.9209 174.4313 133 P 4.3950 0.0000 0.0000 63.0070 31.5029 177.1142 134 H 4.2868 8.6177 116.2435 58.6658 28.2829 176.7898 135 Q 4.0990 7.9198 119.2447 58.6261 29.2224 176.4560 136 L 4.1443 7.5308 119.9236 55.1646 42.4088 178.4070 *138 R 4.0826 8.0680 119.3710 56.1888 32.1972 176.7069 139 L 3.8587 7.2530 115.6468 58.1516 41.9435 178.8260 140 I 3.5629 7.4016 119.4131 64.3258 37.0488 177.9673 141 L 3.7546 7.5682 120.4635 58.2492 41.8155 179.1297 142 V 3.4793 7.5710 118.0072 65.7801 31.3930 177.5501 143 E 3.0573 7.8268 119.1583 59.0844 29.3465 178.6316 144 Q 3.9410 8.2270 119.7292 59.2439 29.1463 178.3042 145 I 3.8010 7.8545 121.0520 64.4009 37.0087 177.7297 146 Y 4.2354 8.2237 120.4685 60.3436 38.5109 177.6771 147 R 3.6610 8.2205 119.9963 58.8536 30.0553 178.2383 148 A 3.8344 7.9891 120.7263 55.3457 18.4681 179.5551 149 F 3.7887 7.8333 115.5980 60.7567 38.4047 178.2809 150 R 3.7946 7.3906 117.7710 59.0697 29.6807 179.0106 151 I 3.6737 7.7620 119.8782 64.4411 36.8290 178.2784 152 N 4.3209 8.1788 116.7638 56.2580 38.5167 177.3695 153 R 4.1865 7.9585 117.6279 56.7724 30.1413 177.0642 154 G 3.8608 7.7951 106.9193 46.4743 0.0000 173.6545 155 E 4.2640 7.7805 122.6695 55.9490 29.6527 175.4898 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 N 8.28 4.89 0.00 2.84 2.85 0.00 0.00 6.90 6.89 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 3 I 9.27 4.90 2.03 0.00 0.00 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 1.45 1.27 1.24 0.00 0.00 4 N 10.23 5.47 0.00 2.70 2.73 0.00 0.00 6.35 7.07 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 5 I 8.62 5.02 1.92 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 1.26 1.16 0.93 0.00 0.00 6 V 8.99 4.68 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 1.13 0.00 0.00 0.96 0.00 0.00 7 T 8.66 5.76 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 1.20 0.00 0.00 8 I 8.09 4.66 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 1.25 0.90 0.87 0.00 0.00 9 G 9.57 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 10 K 8.43 4.41 0.00 1.76 1.75 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.42 1.41 7.81 11 L 8.52 3.95 0.00 1.56 1.54 0.84 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 12 K 7.89 4.29 0.00 1.73 1.71 0.00 1.83 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.36 7.81 13 E 7.83 3.99 0.00 1.83 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 14 K 8.89 3.82 0.00 1.84 1.92 0.00 1.70 0.00 0.00 1.88 0.00 0.00 3.02 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.56 7.81 15 Y 8.25 4.25 0.00 3.14 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 L 7.34 3.86 0.00 1.47 1.51 0.65 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 17 K 7.60 3.85 0.00 1.93 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.41 7.81 18 Q 8.09 4.03 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 19 G 7.78 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.88 3.77 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.04 0.92 0.00 0.00 21 E 8.27 3.87 0.00 2.19 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 2.29 2.36 0.00 22 E 8.36 3.84 0.00 2.22 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 2.04 2.17 0.00 23 Y 7.86 3.94 0.00 3.28 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 24 T 8.79 3.92 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 1.22 0.00 0.00 25 K 7.71 3.96 0.00 1.70 1.83 0.00 1.68 0.00 0.00 1.61 0.00 0.00 3.07 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.62 7.81 26 R 7.63 3.96 0.00 1.73 1.66 0.00 2.21 0.00 0.00 2.81 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.47 0.00 27 L 8.30 3.99 0.00 2.11 1.80 1.01 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 28 S 8.30 4.57 0.00 4.14 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 29 A 7.54 3.95 1.09 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 30 Y 7.77 4.29 0.00 2.67 2.35 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 0.00 31 A 6.55 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.43 4.49 0.00 1.87 1.81 0.00 1.68 0.00 0.00 1.98 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.53 1.49 7.81 33 I 8.23 5.44 1.91 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 1.41 1.86 1.04 0.00 0.00 34 D 8.54 4.78 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.45 4.80 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 1.36 0.57 0.91 0.00 0.00 36 I 9.19 4.40 1.89 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 1.31 0.97 0.92 0.00 0.00 37 E 8.65 5.04 0.00 2.09 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 2.19 2.31 0.00 38 L 8.54 4.96 0.00 1.58 1.57 0.92 0.71 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 39 P 0.00 4.69 0.00 2.07 2.06 0.00 3.76 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 40 D 8.38 4.60 0.00 2.81 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 41 E 7.53 4.31 0.00 2.11 1.81 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 2.48 2.28 0.00 42 K 7.36 4.38 0.00 1.76 1.33 0.00 1.86 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.43 7.81 *50 Q 8.46 4.08 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.03 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 51 D 8.15 4.40 0.00 2.69 2.64 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 *53 K 8.40 4.21 0.00 1.81 1.83 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 54 I 7.75 3.65 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 1.69 1.18 0.91 0.00 0.00 55 I 7.70 3.91 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 0.49 0.91 0.00 0.00 56 K 8.26 3.99 0.00 1.84 1.94 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.44 1.56 7.81 57 D 8.03 4.49 0.00 2.92 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 58 K 7.51 3.98 0.00 2.12 1.84 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.73 7.81 59 E 8.29 4.07 0.00 2.02 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 2.51 2.56 0.00 60 G 7.96 3.64 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 61 D 8.19 4.40 0.00 2.85 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 62 R 7.93 3.96 0.00 1.93 1.99 0.00 3.17 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 1.67 1.83 0.00 63 I 8.34 3.87 2.04 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 0.93 0.92 0.00 0.00 64 L 8.03 4.05 0.00 1.92 1.72 0.92 0.73 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 65 S 8.09 4.26 0.00 4.03 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 66 K 7.71 4.21 0.00 1.94 1.90 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.63 1.55 7.81 67 I 7.35 4.27 1.99 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 1.35 0.65 0.90 0.00 0.00 68 S 8.41 4.45 0.00 4.01 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 69 P 0.00 4.35 0.00 2.20 2.22 0.00 3.75 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 70 D 7.45 4.55 0.00 2.74 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 71 A 7.65 4.43 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 72 H 9.25 4.68 0.00 3.15 3.14 0.00 5.58 0.00 0.00 0.00 0.00 6.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.91 4.51 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 0.86 0.00 0.00 0.88 0.00 0.00 74 I 8.63 4.62 1.52 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.49 1.07 0.00 0.00 75 A 9.22 4.89 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 76 L 8.55 4.91 0.00 1.75 1.66 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 77 A 9.27 4.79 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 78 I 8.29 3.75 1.86 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 1.36 0.59 0.89 0.00 0.00 79 E 8.12 4.13 0.00 2.08 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 2.27 2.36 0.00 80 G 7.49 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 81 K 8.10 4.40 0.00 1.98 1.72 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.47 7.81 *83 K 8.54 4.61 0.00 1.55 1.76 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.41 7.81 84 T 8.43 4.40 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 1.17 0.00 0.00 85 S 8.57 4.16 0.00 3.80 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 86 E 8.00 4.02 0.00 2.01 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 2.42 0.00 87 E 8.18 3.88 0.00 2.10 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 2.30 2.30 0.00 88 L 8.03 4.00 0.00 1.75 1.76 0.93 1.30 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 89 A 8.08 3.98 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 90 D 7.82 4.28 0.00 2.75 2.83 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 91 T 7.84 4.00 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 1.24 0.00 0.00 92 I 7.43 3.73 1.88 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.46 0.73 0.00 0.00 93 D 7.67 4.35 0.00 2.88 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 94 K 7.90 3.99 0.00 1.81 1.77 0.00 1.67 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.40 1.68 7.81 95 L 7.69 4.12 0.00 1.80 1.68 0.85 0.26 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 96 A 7.44 4.47 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 97 T 6.98 3.71 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 1.07 0.00 0.00 98 Y 7.00 4.65 0.00 3.01 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 99 G 8.34 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 0.00 0.00 0.00 100 K 7.70 4.38 0.00 1.79 1.84 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.46 7.81 101 S 7.64 4.62 0.00 4.04 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 0.00 102 K 8.53 4.82 0.00 1.85 1.68 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.78 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.55 7.81 103 V 8.59 4.82 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 0.65 0.00 0.00 0.93 0.00 0.00 104 T 8.82 5.12 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 1.27 0.00 0.00 105 F 9.40 5.13 0.00 2.98 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 0.00 106 V 8.81 4.84 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 1.00 0.00 0.00 0.95 0.00 0.00 107 I 8.83 4.58 1.85 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.90 0.89 0.00 0.00 108 G 8.69 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 0.00 0.00 0.00 109 G 8.18 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 0.00 110 S 8.95 4.19 0.00 3.90 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 0.00 111 L 7.81 3.93 0.00 1.75 1.82 0.92 0.41 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 0.00 112 G 8.28 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 0.00 113 L 7.90 4.38 0.00 1.65 1.61 0.94 0.89 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 0.00 114 S 8.33 4.45 0.00 4.08 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 0.00 115 D 8.52 4.50 0.00 2.69 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 0.00 116 T 7.92 4.02 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 1.21 0.00 0.00 117 V 7.50 3.65 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 1.04 0.00 0.00 0.93 0.00 0.00 *119 K 8.06 4.19 0.00 1.97 1.89 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.74 7.81 120 R 7.60 4.01 0.00 1.72 2.08 0.00 3.31 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 121 A 7.99 3.97 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 0.00 122 D 8.54 4.58 0.00 2.32 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 E 8.27 4.75 0.00 1.99 1.72 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 2.23 2.31 0.00 124 K 8.70 5.09 0.00 1.78 1.69 0.00 1.55 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.43 1.48 7.81 125 L 9.50 5.24 0.00 1.80 1.64 0.99 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 126 S 9.00 5.27 0.00 4.18 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 0.00 127 F 9.11 4.43 0.00 3.05 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 0.00 128 S 7.22 4.55 0.00 3.72 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 0.00 129 K 8.14 4.08 0.00 1.74 1.76 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.43 7.81 *131 T 7.74 3.92 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 1.22 0.00 0.00 132 F 8.31 5.23 0.00 3.00 2.83 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 0.00 133 P 0.00 4.40 0.00 2.18 2.20 0.00 3.82 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 134 H 8.62 4.29 0.00 3.22 3.51 0.00 5.73 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 0.00 135 Q 7.92 4.10 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.34 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 136 L 7.53 4.14 0.00 1.71 1.71 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *138 R 8.07 4.08 0.00 1.86 2.02 0.00 3.19 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 139 L 7.25 3.86 0.00 1.78 1.76 1.06 1.08 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 0.00 140 I 7.40 3.56 1.67 0.00 0.00 0.55 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 0.45 1.06 0.00 0.00 141 L 7.57 3.75 0.00 1.31 1.62 0.27 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 142 V 7.57 3.48 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 0.97 0.00 0.00 0.95 0.00 0.00 143 E 7.83 3.06 0.00 1.26 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 1.92 2.31 0.00 144 Q 8.23 3.94 0.00 2.48 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 145 I 7.85 3.80 1.92 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 1.23 0.00 0.00 146 Y 8.22 4.24 0.00 3.05 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 0.00 147 R 8.22 3.66 0.00 2.00 2.05 0.00 3.29 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 148 A 7.99 3.83 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 0.00 149 F 7.83 3.79 0.00 2.72 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 0.00 150 R 7.39 3.79 0.00 1.60 1.78 0.00 2.73 0.00 0.00 2.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.00 151 I 7.76 3.67 1.91 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.85 0.00 0.00 152 N 8.18 4.32 0.00 2.76 2.83 0.00 0.00 7.09 7.38 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 0.00 153 R 7.96 4.19 0.00 1.98 2.08 0.00 3.58 0.00 0.00 3.37 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 154 G 7.80 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 0.00 0.00 0.00 155 E 7.78 4.26 0.00 2.11 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 2.42 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.