NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 V 3.8588 7.9127 120.3786 62.2280 31.6677 175.2657 8 E 3.7511 8.4712 129.0583 58.2802 28.8111 176.5603 9 S 4.1777 8.7121 114.4057 61.4917 62.5796 174.9990 10 F 4.8872 7.5966 117.0564 58.9254 39.0843 175.8526 11 D 4.6689 8.3136 118.6832 54.9460 41.4282 176.2116 12 L 4.3498 7.4467 120.9330 54.5571 42.7366 176.2262 13 D 4.6498 9.0274 126.3526 53.6159 39.9356 176.4399 14 H 4.3687 8.8316 124.4601 58.1005 28.9705 177.0583 15 T 4.2249 8.2397 108.7089 62.8600 69.0856 175.5875 16 K 4.3527 7.8585 120.0242 56.5803 32.9793 177.1337 17 V 3.9408 7.5170 111.9109 60.7549 32.2675 176.1629 18 K 4.5762 8.9074 121.1565 54.4446 32.9394 176.3443 19 A 4.6087 9.1581 126.0583 50.8790 17.9783 175.1611 20 P 4.7377 0.0000 0.0000 63.0434 33.6135 174.3881 21 Y 5.1248 7.9867 118.0323 56.7025 42.0322 172.8327 22 V 5.0565 8.8842 118.9676 61.2555 34.6566 174.2601 23 R 5.0879 9.1567 126.7284 54.4968 34.0039 173.5512 24 L 4.1602 9.4739 129.0237 55.2254 41.8005 176.4296 25 A 4.3216 8.9551 129.5767 53.6623 19.6157 177.1917 26 G 3.9496 7.0963 100.9454 46.1040 0.0000 172.6228 27 V 4.9035 8.2881 119.6312 60.8867 34.5607 174.6396 28 K 4.8708 9.1595 126.5642 54.7075 36.0208 175.0121 29 T 5.1920 8.2750 111.9165 60.0366 71.5619 174.1099 30 T 4.2814 8.7637 114.6235 60.2644 70.0518 173.7971 31 P 4.2416 0.0000 0.0000 65.6194 31.2705 178.2814 32 K 4.0657 7.8640 115.5238 56.9640 32.3333 177.2909 33 G 4.0954 7.7522 106.8086 45.1271 0.0000 173.4372 34 D 4.6677 8.3075 120.9566 53.8000 42.2508 175.6388 35 Q 4.8056 8.6351 121.6974 55.2318 30.8939 174.7797 36 I 4.6936 8.9160 124.5471 59.9022 39.7969 174.6413 37 S 4.9865 9.0543 124.3253 56.6950 65.3669 173.3888 38 K 4.9154 8.5735 124.7389 54.7655 34.9532 174.2759 39 Y 5.1384 9.2659 124.4273 56.2227 41.7645 174.1463 40 D 4.8174 9.6764 123.6116 53.2278 42.8898 175.3027 41 L 4.5454 8.7785 128.1357 53.1988 42.9232 175.0243 42 R 4.4419 8.4934 125.8327 54.9904 30.9966 176.5295 43 F 4.1766 9.2503 125.3818 59.6394 39.7365 175.9956 44 L 4.9061 7.8938 116.4024 52.3834 44.7521 176.4978 45 Q 4.1027 8.5415 122.6097 55.1831 29.6950 173.9281 46 P 4.4314 0.0000 0.0000 64.4917 31.7461 175.7496 47 N 4.3188 8.9842 118.1343 54.3940 35.8318 174.5714 48 Q 4.4968 9.4421 114.5369 54.9005 29.3422 174.8840 49 G 4.3802 7.0180 103.9592 43.4545 0.0000 172.3942 50 A 4.8189 7.6545 121.3883 49.7088 22.5916 175.9476 51 I 3.8868 8.5837 121.1805 60.8444 37.8686 176.0999 52 D 4.4006 8.7231 125.9066 53.8250 42.1350 175.1479 53 P 4.1840 0.0000 0.0000 65.7679 31.3666 178.8771 54 A 4.1872 8.3386 120.0852 54.6350 18.2282 179.5863 55 A 4.1020 8.0387 118.8496 55.3266 18.4651 179.5240 56 I 3.5476 8.1087 117.3733 63.9597 37.9691 177.6794 57 H 4.2217 8.1504 119.5668 59.5353 29.6015 177.4181 58 T 3.9256 8.0043 117.5813 66.5686 68.2957 176.6411 59 L 4.0261 8.2520 121.3311 57.7437 41.6216 179.2364 60 E 3.9541 8.4906 119.3651 59.7582 29.3062 178.6500 61 H 4.1601 8.3527 116.2281 58.7752 28.6588 177.9388 62 L 3.7816 8.3186 121.1318 57.8116 41.5175 179.5055 63 L 4.2307 8.6774 118.7299 57.0459 41.0804 179.1494 64 A 4.1105 8.1480 121.5704 55.3034 18.2899 179.8941 65 G 3.3263 7.4749 103.6286 48.0141 0.0000 175.7696 66 Y 4.6855 7.8675 118.2771 60.9240 38.2765 177.9471 67 M 4.3634 8.6396 120.3482 58.5400 31.8824 178.9788 68 R 4.0244 7.6710 117.8698 59.2947 29.9516 178.8398 69 D 4.3008 8.1028 118.0093 56.4778 40.8894 176.7316 70 H 4.8876 7.7806 113.2515 55.2450 29.8537 173.9036 71 L 4.6194 7.4401 120.9048 53.5361 45.1242 175.2500 72 E 4.2385 8.7126 125.1685 57.0660 30.6229 176.7216 73 G 3.8999 8.7968 108.0953 45.9387 0.0000 173.5404 74 V 4.0156 7.7014 119.2042 62.9307 32.0658 175.5999 75 V 4.1641 8.6624 127.1256 64.7261 32.8590 175.2673 76 D 4.6151 7.5465 116.3627 53.3234 44.6353 174.7337 77 V 4.7491 8.4728 122.9291 61.4863 33.9219 174.6051 78 S 5.0476 9.1870 124.4467 55.7635 66.6898 172.2463 79 P 4.7170 0.0000 0.0000 63.0829 32.0557 175.8042 80 M 4.3672 8.5535 121.6725 53.8505 33.1749 178.5432 81 G 3.8285 8.4957 111.6733 45.4561 0.0000 174.0917 *83 R 4.1413 7.9805 115.3107 56.0197 31.7164 176.8947 84 T 4.4837 7.4866 106.6707 61.4466 70.9158 173.1476 85 G 4.5161 7.0820 108.1359 46.5530 0.0000 171.8755 86 M 5.2850 8.6718 118.3953 53.6730 36.1959 174.6781 87 Y 5.3173 8.8773 119.1420 56.7607 40.9774 174.5445 88 M 5.3134 9.3127 122.2338 53.8616 35.9298 173.5368 89 A 5.2327 8.8227 127.8089 50.3944 21.7676 175.6939 90 V 4.8526 9.1168 121.5234 61.0790 35.3636 174.6099 91 I 4.3184 9.1902 129.5356 61.6840 37.1075 175.8848 92 G 4.3099 7.9944 119.0180 44.5793 0.0000 171.2608 93 E 4.4476 8.0206 118.9857 54.5931 30.1120 175.5827 94 P 4.4140 0.0000 0.0000 63.8166 32.2015 177.1760 95 D 4.8588 9.2980 121.0759 52.1439 42.6908 175.1377 96 E 4.0617 8.5161 123.6486 59.2511 30.0021 178.4816 97 Q 4.0551 8.1551 119.1506 59.1751 29.2379 178.3837 98 G 3.5839 8.6258 106.9717 47.8186 0.0000 175.8956 99 V 3.4749 7.9959 120.9014 65.6360 31.3108 177.8805 100 M 4.1150 8.1264 118.2746 58.6081 32.0826 178.3771 101 K 3.9250 8.2414 118.4672 59.3011 32.1506 179.2280 102 A 3.9640 8.1091 121.0658 55.1073 18.3107 179.4313 103 F 4.3918 8.6399 119.6504 61.4262 39.4716 176.8859 104 E 3.6098 8.4304 118.8553 59.1367 29.4346 178.6182 105 A 3.8040 8.0350 120.5582 55.1850 18.3509 179.5482 106 A 3.9882 8.3343 119.5456 55.1517 18.4165 179.8825 107 L 3.8641 8.0986 118.2063 57.6303 41.6055 179.7525 108 K 3.9368 7.9873 118.6379 59.4303 31.7235 179.0774 109 D 4.0449 7.5710 118.2058 57.4150 40.8385 178.7794 110 T 4.1607 7.8598 116.1015 66.7211 68.3195 176.7193 111 A 4.3295 8.3738 121.8177 54.5081 18.3881 178.8707 112 G 4.1709 7.5525 101.5977 43.9057 0.0000 173.3949 113 H 4.3822 8.0691 121.4672 56.0854 28.9956 174.4131 114 D 4.8337 8.4675 125.1308 53.0244 39.9160 176.2655 115 Q 4.4013 7.3383 118.8791 53.9289 30.2769 173.4777 116 P 4.4195 0.0000 0.0000 62.5932 31.8363 176.7171 117 I 3.8640 8.1268 122.0544 60.4793 37.4682 174.6595 118 P 4.2147 0.0000 0.0000 63.8952 31.6505 176.3419 119 G 3.7651 8.7631 109.4232 46.3325 0.0000 173.5143 120 V 4.1562 7.4328 119.7923 61.5129 31.6563 174.7869 121 S 4.3864 7.8344 119.8674 57.3877 64.8627 176.7262 122 E 3.8045 8.0513 121.9433 58.9484 29.6245 178.1729 123 L 4.1172 7.8036 118.0528 57.0672 41.8163 177.4738 124 E 4.4931 7.8811 115.0205 56.3669 30.4966 175.5190 125 C 4.9111 8.0181 118.4143 57.4717 34.5900 173.9162 126 G 3.8955 8.8118 113.4045 46.8179 0.0000 173.8207 127 N 5.0591 7.7207 118.0019 52.6556 39.5383 174.3900 128 Y 4.3753 8.0649 118.0528 59.7533 38.8199 178.6405 129 R 3.6815 7.1934 118.3651 58.1683 30.7937 176.6026 130 D 4.6097 7.8109 120.4516 53.2730 39.6693 174.3648 131 H 4.9841 7.4207 116.8276 54.4576 33.3022 174.4030 132 D 4.6578 8.6814 120.2863 52.2575 42.5661 175.4666 133 L 3.9974 8.3263 126.0860 57.4622 42.4532 177.7752 134 A 3.9732 8.0868 120.1509 55.1483 18.3289 179.3543 135 A 3.9101 8.5857 119.1317 55.1192 18.4639 179.7267 136 A 4.0277 8.1874 119.3619 55.3950 18.3815 180.0877 137 R 3.9264 8.3322 116.8751 59.4764 30.1583 179.1342 138 Q 3.9451 8.0901 119.2908 59.4892 29.0547 177.8815 139 H 4.3408 8.7284 117.5382 58.7803 28.7106 177.6824 140 A 4.0425 8.2739 122.6668 55.2253 18.2552 179.6542 141 R 3.8219 8.2986 117.4985 59.5633 30.0798 178.4317 142 D 4.3450 8.6348 119.1798 57.2878 40.7687 178.8475 143 V 3.4773 7.7513 118.6319 66.0708 31.2594 178.0529 144 L 3.8808 7.5164 117.2556 57.8190 41.4704 178.9458 145 D 4.4744 8.2553 118.3654 57.5224 40.8380 178.6133 146 Q 4.1098 7.9764 117.6295 56.5588 29.1338 177.7001 147 G 3.8546 8.0854 106.9717 45.7162 0.0000 173.1551 148 L 4.8164 8.0018 123.2011 54.2112 43.4941 175.5795 149 K 4.6195 8.1564 116.7938 55.9422 36.5998 174.8516 150 V 4.5396 8.2885 121.2166 62.2116 32.1647 174.6919 151 Q 4.3410 8.7320 130.4278 54.4432 29.8087 175.1331 152 E 4.0189 8.5955 127.2336 56.2308 30.4564 176.0294 153 T 4.0511 8.2908 121.9711 63.1625 69.0651 174.1649 154 I 4.3499 8.1519 127.9662 59.6702 38.7943 175.3413 155 L 4.8451 8.3978 127.1184 53.7310 43.2379 177.1625 156 L 4.2802 8.4433 120.1343 55.1891 41.2646 177.1025 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 7 V 7.91 3.86 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 0.02 0.00 0.00 0.82 0.00 0.00 8 E 8.47 3.75 0.00 2.12 1.88 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 2.32 2.40 0.00 9 S 8.71 4.18 0.00 3.87 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 10 F 7.60 4.89 0.00 3.21 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 11 D 8.31 4.67 0.00 2.91 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 12 L 7.45 4.35 0.00 1.67 1.62 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 13 D 9.03 4.65 0.00 2.71 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.83 4.37 0.00 3.18 3.44 0.00 5.94 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.24 4.22 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 1.24 0.00 0.00 16 K 7.86 4.35 0.00 1.79 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.49 7.81 17 V 7.52 3.94 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 0.57 0.00 0.00 1.16 0.00 0.00 18 K 8.91 4.58 0.00 1.72 1.78 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.50 7.81 19 A 9.16 4.61 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.74 0.00 2.02 2.24 0.00 3.76 0.00 0.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 1.90 0.00 21 Y 7.99 5.12 0.00 3.22 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 22 V 8.88 5.06 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 1.07 0.00 0.00 1.04 0.00 0.00 23 R 9.16 5.09 0.00 1.93 1.92 0.00 3.05 0.00 0.00 2.80 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 24 L 9.47 4.16 0.00 1.65 1.55 0.48 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.96 4.32 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 G 7.10 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 27 V 8.29 4.90 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 0.84 0.00 0.00 0.85 0.00 0.00 28 K 9.16 4.87 0.00 1.64 1.60 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.28 1.27 7.81 29 T 8.27 5.19 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 30 T 8.76 4.28 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 31 P 0.00 4.24 0.00 2.05 2.16 0.00 3.66 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 2.02 2.10 0.00 32 K 7.86 4.07 0.00 1.74 1.86 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.37 7.81 33 G 7.75 4.10 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 0.00 0.00 0.00 34 D 8.31 4.67 0.00 2.64 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 35 Q 8.64 4.81 0.00 2.01 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 36 I 8.92 4.69 1.83 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 1.21 1.11 0.89 0.00 0.00 37 S 9.05 4.99 0.00 3.78 3.34 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 0.00 38 K 8.57 4.92 0.00 1.60 1.41 0.00 1.05 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.24 1.22 7.81 39 Y 9.27 5.14 0.00 2.89 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 9.68 4.82 0.00 2.86 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 41 L 8.78 4.55 0.00 1.37 0.35 0.53 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.49 4.44 0.00 1.19 0.66 0.00 3.18 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.46 0.00 43 F 9.25 4.18 0.00 3.05 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 44 L 7.89 4.91 0.00 1.52 1.59 1.00 0.92 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 45 Q 8.54 4.10 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 7.03 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 46 P 0.00 4.43 0.00 2.31 2.13 0.00 3.95 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 47 N 8.98 4.32 0.00 2.90 2.94 0.00 0.00 6.93 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 48 Q 9.44 4.50 0.00 2.20 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.49 2.44 0.00 49 G 7.02 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 0.00 0.00 0.00 0.00 50 A 7.65 4.82 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 51 I 8.58 3.89 1.77 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.46 0.71 0.00 0.00 52 D 8.72 4.40 0.00 2.81 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 53 P 0.00 4.18 0.00 2.16 2.06 0.00 3.63 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 54 A 8.34 4.19 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 55 A 8.04 4.10 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.11 3.55 1.75 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.34 0.92 0.00 0.00 57 H 8.15 4.22 0.00 3.30 3.39 0.00 5.66 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 T 8.00 3.93 4.39 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 1.22 0.00 0.00 59 L 8.25 4.03 0.00 1.74 1.69 0.41 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.49 3.95 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 61 H 8.35 4.16 0.00 3.36 3.30 0.00 5.69 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 62 L 8.32 3.78 0.00 1.77 1.88 0.96 0.37 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 63 L 8.68 4.23 0.00 1.86 1.89 1.33 1.29 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 64 A 8.15 4.11 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 65 G 7.47 3.33 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 0.00 66 Y 7.87 4.69 0.00 3.05 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.64 4.36 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.97 0.00 68 R 7.67 4.02 0.00 1.86 1.99 0.00 3.23 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.82 0.00 69 D 8.10 4.30 0.00 2.89 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 H 7.78 4.89 0.00 3.22 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 L 7.44 4.62 0.00 1.64 1.69 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.71 4.24 0.00 2.01 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 73 G 8.80 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 74 V 7.70 4.02 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 0.83 0.00 0.00 1.03 0.00 0.00 75 V 8.66 4.16 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 0.78 0.00 0.00 0.94 0.00 0.00 76 D 7.55 4.62 0.00 2.80 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 77 V 8.47 4.75 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 0.94 0.00 0.00 1.03 0.00 0.00 78 S 9.19 5.05 0.00 3.84 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 79 P 0.00 4.72 0.00 2.05 2.02 0.00 3.78 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 80 M 8.55 4.37 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 81 G 8.50 3.83 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 0.00 0.00 0.00 *83 R 7.98 4.14 0.00 1.88 2.09 0.00 3.21 0.00 0.00 3.36 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.79 0.00 84 T 7.49 4.48 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 85 G 7.08 4.52 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 0.00 0.00 0.00 86 M 8.67 5.29 0.00 2.01 1.94 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.79 0.00 87 Y 8.88 5.32 0.00 2.94 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 88 M 9.31 5.31 0.00 2.13 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.57 0.00 89 A 8.82 5.23 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 90 V 9.12 4.85 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 1.19 0.00 0.00 1.09 0.00 0.00 91 I 9.19 4.32 1.89 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 1.17 0.67 0.92 0.00 0.00 92 G 7.99 4.31 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 0.00 93 E 8.02 4.45 0.00 1.98 1.92 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 2.33 2.69 0.00 94 P 0.00 4.41 0.00 2.07 2.03 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.07 0.00 95 D 9.30 4.86 0.00 2.74 2.53 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 96 E 8.52 4.06 0.00 2.13 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 2.67 2.58 0.00 97 Q 8.16 4.06 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 98 G 8.63 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.00 3.47 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 0.56 0.00 0.00 0.11 0.00 0.00 100 M 8.13 4.12 0.00 2.29 2.09 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 101 K 8.24 3.93 0.00 1.94 1.83 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.66 1.60 7.81 102 A 8.11 3.96 1.47 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 0.00 103 F 8.64 4.39 0.00 3.02 3.16 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 0.00 104 E 8.43 3.61 0.00 2.05 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 2.20 2.20 0.00 105 A 8.04 3.80 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.33 3.99 1.56 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 0.00 107 L 8.10 3.86 0.00 1.47 1.46 -0.31 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.99 3.94 0.00 1.86 1.75 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.56 7.81 109 D 7.57 4.04 0.00 1.76 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 0.00 110 T 7.86 4.16 4.44 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 1.35 0.00 0.00 111 A 8.37 4.33 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 0.00 112 G 7.55 4.17 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 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.07 4.38 0.00 3.51 3.44 0.00 5.91 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 0.00 114 D 8.47 4.83 0.00 2.77 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 0.00 115 Q 7.34 4.40 0.00 1.89 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 7.02 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 116 P 0.00 4.42 0.00 2.05 2.00 0.00 3.69 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 117 I 8.13 3.86 1.75 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.46 0.79 0.00 0.00 118 P 0.00 4.21 0.00 1.98 1.94 0.00 3.68 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.03 0.00 119 G 8.76 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 0.00 120 V 7.43 4.16 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 0.92 0.00 0.00 0.68 0.00 0.00 121 S 7.83 4.39 0.00 3.83 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 0.00 122 E 8.05 3.80 0.00 1.47 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 2.18 2.27 0.00 123 L 7.80 4.12 0.00 1.63 1.68 0.88 0.83 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 0.00 124 E 7.88 4.49 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.20 0.00 125 C 8.02 4.91 0.00 3.28 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 G 8.81 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 0.00 127 N 7.72 5.06 0.00 2.75 2.63 0.00 0.00 6.93 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 0.00 128 Y 8.06 4.38 0.00 3.17 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 0.00 129 R 7.19 3.68 0.00 1.56 1.79 0.00 2.98 0.00 0.00 2.97 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 130 D 7.81 4.61 0.00 2.71 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 0.00 131 H 7.42 4.98 0.00 3.10 3.10 0.00 5.78 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 0.00 132 D 8.68 4.66 0.00 2.61 2.49 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 0.00 133 L 8.33 4.00 0.00 1.82 1.67 0.98 1.19 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 A 8.09 3.97 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 0.00 135 A 8.59 3.91 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 0.00 136 A 8.19 4.03 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 0.00 137 R 8.33 3.93 0.00 2.09 2.02 0.00 3.39 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.83 0.00 138 Q 8.09 3.95 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.41 0.00 139 H 8.73 4.34 0.00 3.43 3.52 0.00 5.67 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 A 8.27 4.04 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 0.00 141 R 8.30 3.82 0.00 1.91 2.08 0.00 3.13 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 1.61 1.84 0.00 142 D 8.63 4.34 0.00 2.90 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 0.00 143 V 7.75 3.48 1.88 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 0.71 0.00 0.00 0.58 0.00 0.00 144 L 7.52 3.88 0.00 1.73 1.63 0.86 0.95 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 0.00 145 D 8.26 4.47 0.00 2.75 2.71 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 0.00 146 Q 7.98 4.11 0.00 2.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.24 0.00 0.00 0.00 0.00 0.00 2.39 2.41 0.00 147 G 8.09 3.85 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 0.00 0.00 0.00 148 L 8.00 4.82 0.00 1.52 1.65 0.72 0.89 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 0.00 149 K 8.16 4.62 0.00 1.75 1.89 0.00 1.55 0.00 0.00 1.79 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.56 7.81 150 V 8.29 4.54 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 0.80 0.00 0.00 0.97 0.00 0.00 151 Q 8.73 4.34 0.00 1.57 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.64 0.00 0.00 0.00 0.00 0.00 1.16 1.88 0.00 152 E 8.60 4.02 0.00 1.92 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 2.25 2.30 0.00 153 T 8.29 4.05 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 1.20 0.00 0.00 154 I 8.15 4.35 1.85 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 1.29 0.97 0.90 0.00 0.00 155 L 8.40 4.85 0.00 1.53 1.60 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 156 L 8.44 4.28 0.00 1.57 1.60 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.