NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.2369 8.1844 120.6307 54.8457 42.6222 178.3413 4 D 4.3295 7.7079 117.8771 52.5249 40.5088 169.2926 5 V 4.2551 8.1514 126.2519 60.5761 35.1255 174.7344 6 A 3.9662 8.5612 128.2385 55.5892 18.1508 179.7243 7 L 4.0527 7.8683 116.5725 57.7640 42.5517 178.6819 8 K 2.4800 7.6205 119.3526 58.8578 32.1599 178.3388 9 R 3.8890 8.0278 119.4002 59.6636 29.7973 178.3090 10 K 4.0044 7.9423 118.6425 59.3031 32.0288 178.2067 11 Y 3.9788 7.7484 120.0199 61.0540 38.5579 177.7520 12 Y 3.8062 7.4857 115.7413 60.7574 38.0958 177.9729 13 E 4.1364 8.1335 118.8731 59.1335 29.9032 177.4043 14 E 4.4468 8.2165 116.2739 57.9758 31.0822 178.3229 15 V 3.5821 7.6329 117.3490 66.2597 31.3958 178.1544 16 R 3.6026 8.3291 119.0857 58.7487 29.7785 176.7372 17 P 4.2530 0.0000 0.0000 65.8256 31.2197 177.8324 18 E 4.0204 8.0819 118.8425 58.6133 29.5336 178.6132 19 L 4.3247 7.8172 119.5339 57.5986 41.8038 178.6491 20 I 4.3962 7.8476 118.2496 62.6628 37.0535 177.4307 21 R 4.1818 7.2442 116.3081 58.2049 30.8443 178.3305 22 R 3.6744 7.8329 116.5015 58.6995 30.1976 177.6906 23 F 4.3830 7.9542 113.4164 56.0011 40.5192 175.7450 24 G 4.3912 7.1082 106.3494 46.3975 0.0000 171.5586 25 Y 4.3280 7.8873 119.6399 57.3558 39.2697 175.8131 26 Q 4.0361 8.7337 123.8727 58.5539 29.3848 176.3401 27 N 4.7036 7.3542 113.3792 50.8473 41.0192 176.6476 28 V 3.7123 8.0491 113.9727 63.8066 31.7876 177.8864 29 W 4.7231 7.8379 114.6729 57.2924 28.4866 176.4227 30 E 4.3902 7.5866 117.9740 56.4205 29.7061 176.3356 31 V 2.4527 6.9080 118.8861 61.2402 31.9463 173.7659 32 P 4.3354 0.0000 0.0000 63.6085 32.0265 175.3647 33 R 4.6042 9.3411 121.0568 54.1633 35.0819 173.6981 34 L 4.3643 8.0366 121.9431 54.9031 42.4717 174.9170 35 E 4.5262 8.6739 127.0172 57.1942 30.8947 175.5163 36 K 4.6465 7.3865 115.8623 55.9981 36.6125 173.9735 37 V 4.6474 8.5447 119.6342 61.3213 34.7427 173.9823 38 V 4.6061 8.5705 128.8439 61.4554 33.3874 174.3148 39 I 4.7007 8.4498 129.6885 59.6078 39.1192 174.2023 40 N 5.0956 8.9134 126.8046 51.9849 40.9494 173.8741 41 Q 4.4065 8.8011 129.7224 54.5192 29.6304 175.1106 42 G 4.1731 8.4937 113.1039 45.9336 0.0000 171.1367 43 L 4.4091 8.7542 119.5932 53.6742 43.6235 178.6117 44 G 3.9201 8.7811 105.1126 45.0935 0.0000 173.3383 45 E 4.7042 8.2092 113.3597 55.7141 29.1259 175.6610 46 A 4.1692 7.6714 122.6750 54.4169 18.7433 178.5006 47 K 4.6313 7.7250 115.4551 55.0046 35.3841 175.4040 48 E 4.5604 8.6078 122.8391 55.6713 31.5686 175.3020 49 D 4.5373 8.1355 118.2098 54.5667 41.8630 177.4450 50 A 4.0833 8.6048 128.0323 55.0947 18.7187 179.2559 51 R 4.2724 8.2128 113.7414 57.8673 30.7185 178.9291 52 I 3.7814 7.7605 120.0687 64.2159 37.2653 177.6203 53 L 3.9358 7.8945 120.6427 58.4258 41.7340 178.5526 54 E 4.1254 7.8600 117.5775 58.7278 29.5649 178.7254 55 K 3.8978 7.8398 119.8220 59.1817 32.2259 178.7867 56 A 3.8507 8.1110 120.8332 55.1888 18.4427 179.2438 57 A 3.9352 8.5496 119.6366 55.6801 18.2964 179.7744 58 Q 4.1431 7.9640 115.9520 58.5958 28.9140 178.4002 59 E 4.1611 8.0745 119.3531 59.0522 29.4698 178.8660 60 L 4.0736 8.4682 120.4084 57.9811 42.1100 178.8543 61 A 4.5369 7.6373 120.8198 54.0974 18.0802 179.6708 62 L 3.9780 7.2959 115.9704 57.8595 41.9547 179.3531 63 I 3.7551 7.6465 111.7856 63.0962 37.5336 177.2974 64 T 4.3915 7.4513 110.1991 60.5950 69.7742 174.8992 65 G 3.8544 8.6526 108.9389 45.9970 0.0000 172.8923 66 Q 4.4548 7.4671 117.9034 53.6611 32.2087 173.2467 67 K 4.3654 8.4157 124.3089 55.5875 32.6143 174.9665 68 P 4.6870 0.0000 0.0000 62.3952 32.4697 175.4042 69 A 4.6597 8.8647 124.8789 50.3696 21.4365 176.3427 70 V 4.2768 8.2359 122.1278 62.4224 32.2121 175.7004 71 T 4.3573 8.8916 123.7426 62.0242 68.6926 173.4278 72 R 5.2622 8.2272 123.3052 54.1609 34.6286 174.7288 73 A 4.0192 8.9280 124.2148 52.6776 18.8296 176.3207 74 K 4.1078 9.0199 126.2558 56.9939 30.9614 179.9283 75 K 4.2255 9.0378 110.3833 55.9795 33.1073 176.6607 76 S 4.4092 8.2753 117.0353 58.6459 63.5994 173.3794 77 I 4.5455 7.4348 120.4104 60.2949 40.6774 173.4349 78 S 3.8626 7.8395 112.9779 58.0673 62.1074 175.1587 79 N 4.8113 8.5613 127.7210 51.8422 37.2426 173.7169 80 F 4.6774 8.9785 122.5925 57.5469 40.9873 177.3382 81 K 5.1165 7.3657 129.2532 57.1621 30.1732 175.1429 82 L 4.5735 7.3948 123.8223 53.7060 38.9408 174.6525 83 R 4.4002 7.5020 123.3131 55.8451 32.9402 174.2265 84 K 4.6371 7.8478 117.1335 54.9236 36.1151 174.8672 85 G 3.8928 8.8613 116.3540 46.0791 0.0000 172.2296 86 M 4.8467 8.9272 125.6464 55.7127 40.5887 171.1428 87 P 4.9961 0.0000 0.0000 62.3761 32.3275 175.2619 88 I 4.3504 9.7863 117.5570 59.6575 39.2159 175.4207 89 G 4.3398 6.9667 109.9775 46.6709 0.0000 170.9454 90 L 5.4194 8.1951 119.3633 52.9962 45.3061 176.3013 91 R 5.1117 8.8036 121.1927 55.1140 33.9314 174.1857 92 V 4.6972 8.6604 118.4012 59.8648 36.1948 174.5719 93 T 4.7100 8.4790 120.8993 61.8884 70.5075 173.5629 94 L 4.4705 8.8181 128.2956 53.5988 43.0725 176.4463 95 R 4.7468 8.1421 121.6386 54.0934 34.2906 177.6645 96 R 3.5631 8.6786 118.6838 57.2651 29.2275 178.8675 97 D 4.7016 8.9993 119.9174 58.9471 41.1744 178.9632 98 R 4.2677 7.4479 115.5578 56.1751 29.5307 178.7081 *100 W 4.9949 8.1331 119.7728 56.9935 31.3344 178.1236 101 I 3.9250 8.0070 119.0438 64.1464 36.4763 178.2475 102 F 4.1703 8.3439 121.6070 61.3127 39.2953 177.3664 103 L 3.9735 8.0240 118.1579 57.5278 41.3098 178.9038 104 E 3.9641 8.0741 119.6905 58.8868 29.4542 178.9080 105 K 3.9125 7.8467 118.3978 58.7938 32.2641 178.9587 106 L 3.4080 7.8492 120.9539 58.1244 41.7923 179.1622 107 L 3.6965 7.4054 117.5475 57.3558 41.6356 178.0704 108 N 4.5610 7.5521 114.9102 53.8864 39.0961 176.1596 109 V 4.0242 7.3367 115.6050 62.8738 33.5527 177.7188 110 A 3.8720 7.5946 122.0591 54.2113 18.3036 178.6997 111 L 3.5982 7.6636 115.1682 57.0114 42.0362 177.3710 112 P 4.2154 0.0000 0.0000 65.7478 31.4397 178.8428 113 R 4.3017 7.1997 116.5703 55.9408 29.2835 176.3460 114 I 4.5140 7.8726 118.8004 59.3661 39.8553 175.9528 115 R 4.0447 8.7412 125.1943 59.7685 30.5554 178.0393 116 D 4.7739 7.7453 117.5555 53.1559 38.7433 175.4812 117 F 4.7371 7.7085 120.4574 57.0153 42.7198 173.6802 118 R 4.3019 9.2019 125.6369 55.1927 32.3651 175.6224 119 G 3.9170 6.0419 103.3378 42.9032 0.0000 172.1766 120 L 4.2298 8.9027 121.1542 53.7892 42.6546 176.5818 121 N 4.8181 8.7166 120.4073 52.3281 38.5519 173.9251 122 P 5.0033 0.0000 0.0000 64.5625 31.5011 176.5838 123 N 4.8830 9.4429 116.8911 54.1869 39.7554 175.6671 124 S 4.5164 8.2522 116.7967 58.2840 61.8230 173.6608 125 F 5.1640 7.8317 118.2784 55.7454 41.6363 176.1949 126 D 4.5233 8.9793 123.3789 53.9614 39.5573 177.4478 127 G 4.5764 9.1962 109.1117 45.9225 0.0000 174.0576 128 R 4.5751 8.4272 118.1293 55.9920 31.4547 176.1771 129 G 3.9978 9.0873 104.1243 45.4831 0.0000 173.3954 130 N 5.3220 8.2471 116.1257 51.3591 42.1563 172.6508 131 Y 4.6226 8.7022 123.3318 55.9273 41.2891 173.9522 132 N 5.1459 7.7441 122.9157 51.2140 41.4436 173.6293 133 L 4.6328 8.8810 125.3007 53.0530 46.1742 175.5619 134 G 4.1680 8.5648 109.7992 44.6757 0.0000 171.8635 135 L 4.7441 8.6206 126.8488 52.6123 44.1824 176.9436 136 R 4.5477 8.4159 123.7634 55.9811 30.1238 175.3978 137 E 4.6319 7.8427 116.6077 54.2176 31.7857 174.8119 138 Q 4.5166 8.3997 117.8257 56.2521 29.9096 175.5546 139 L 4.5979 9.1750 123.1562 53.1153 44.1857 175.6660 140 I 4.4242 8.1360 126.0654 60.4442 38.1423 175.5211 141 F 4.7217 8.4292 125.9527 54.5727 41.7340 174.1039 142 P 4.4481 0.0000 0.0000 65.7966 32.0037 178.0291 143 E 4.0596 8.5693 116.2364 56.9741 28.8774 178.4178 144 I 4.7742 8.3818 121.7234 59.6497 41.2863 173.7469 145 T 4.6784 8.3503 114.3238 60.9086 69.4512 174.0900 146 Y 4.1229 9.2393 131.2212 57.0407 39.3574 173.3679 147 D 4.8226 8.3612 125.8033 52.0501 42.8278 174.3910 148 M 4.7547 8.0433 124.8736 54.4476 33.8297 178.0452 149 V 3.6365 7.6789 119.6545 66.2915 31.6880 177.1049 150 D 4.4480 8.0429 117.1045 56.6504 40.5543 177.0907 151 A 4.0245 7.3575 121.6786 53.0452 18.9460 178.4163 152 L 4.6118 7.9749 116.1611 52.6138 44.4130 177.0996 153 R 4.4789 8.1202 117.7349 56.1699 31.5560 175.5020 154 G 3.9000 8.2922 111.6820 45.5024 0.0000 173.2776 *156 D 4.4989 8.4944 122.3095 54.4162 42.5842 174.6710 157 I 4.8490 8.3594 124.7745 59.6465 39.7834 174.8773 158 A 4.8087 8.7139 127.7145 50.3052 21.8457 175.4194 159 V 4.3754 8.8187 124.4870 62.0769 32.1398 174.2077 160 V 4.6120 8.3120 128.1319 62.0397 32.6533 175.0217 161 T 4.9305 8.5938 119.0652 60.3124 71.3989 173.9910 162 T 4.4724 8.4288 109.8609 61.6292 69.3443 175.4632 163 A 4.1446 7.9907 125.6443 52.6611 18.9396 177.3898 164 E 4.3952 8.5783 119.0119 57.3102 30.6862 177.2260 165 T 4.7362 7.1017 108.8929 59.1145 73.0421 174.5977 166 D 4.1785 8.4995 122.0562 57.4300 40.4639 178.8739 167 E 3.7478 8.0303 117.5849 59.1645 29.3788 178.4703 168 E 3.9942 7.6483 117.8428 57.7042 29.6992 178.6024 169 A 4.0151 7.3847 121.7190 54.9160 18.3540 179.5961 170 R 3.9685 7.7465 114.0239 58.3511 29.5649 178.9390 171 A 4.3020 7.5166 121.0299 54.9843 18.4333 179.0665 172 L 3.9877 7.6314 118.9908 58.4735 42.3189 179.2732 173 L 3.9488 8.0251 118.6145 58.0049 41.3443 178.8705 174 E 4.2050 8.9720 118.0903 60.0930 29.5713 179.4610 175 L 4.1982 8.2903 118.5635 57.5564 41.7687 179.1693 176 L 4.3718 7.8633 120.1898 56.9958 42.1406 176.5826 177 G 3.6806 8.0789 113.0062 45.5131 0.0000 172.7818 178 F 3.6857 8.5829 119.6712 57.3343 38.6420 174.3664 179 P 4.6787 0.0000 0.0000 62.3204 29.7052 176.6480 180 F 5.2583 8.1388 125.3492 57.2704 41.1764 176.5146 181 R 4.7223 8.3895 123.9702 56.1011 31.4314 175.2600 182 K 4.0283 8.1043 124.8520 57.2864 32.1205 174.5403 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 3 L 8.18 4.24 0.00 1.67 1.84 0.95 0.74 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 4 D 7.71 4.33 0.00 2.70 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 5 V 8.15 4.26 1.97 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 1.21 0.00 0.00 1.01 0.00 0.00 6 A 8.56 3.97 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 7 L 7.87 4.05 0.00 1.79 2.03 1.12 0.82 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 8 K 7.62 2.48 0.00 0.80 1.49 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.74 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.87 0.21 7.81 9 R 8.03 3.89 0.00 1.99 2.08 0.00 3.15 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 10 K 7.94 4.00 0.00 2.03 2.00 0.00 1.74 0.00 0.00 1.78 0.00 0.00 3.16 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.68 7.81 11 Y 7.75 3.98 0.00 3.01 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 12 Y 7.49 3.81 0.00 3.00 2.93 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 13 E 8.13 4.14 0.00 2.24 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 2.35 2.40 0.00 14 E 8.22 4.45 0.00 2.08 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 2.23 2.28 0.00 15 V 7.63 3.58 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.09 0.00 0.00 16 R 8.33 3.60 0.00 1.25 1.67 0.00 3.23 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.38 0.00 17 P 0.00 4.25 0.00 2.29 2.28 0.00 3.53 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.16 0.00 18 E 8.08 4.02 0.00 2.06 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 2.34 2.43 0.00 19 L 7.82 4.32 0.00 1.94 1.99 1.01 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.85 4.40 2.09 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.85 1.03 0.00 0.00 21 R 7.24 4.18 0.00 2.00 1.91 0.00 3.14 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 22 R 7.83 3.67 0.00 1.41 1.03 0.00 3.09 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.80 0.00 23 F 7.95 4.38 0.00 2.29 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 24 G 7.11 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 0.00 0.00 0.00 0.00 25 Y 7.89 4.33 0.00 2.94 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 26 Q 8.73 4.04 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.29 0.00 27 N 7.35 4.70 0.00 1.44 1.42 0.00 0.00 7.16 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 28 V 8.05 3.71 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.14 0.00 0.00 29 W 7.84 4.72 0.00 3.35 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 30 E 7.59 4.39 0.00 1.99 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 2.27 1.78 0.00 31 V 6.91 2.45 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 0.59 0.00 0.00 0.78 0.00 0.00 32 P 0.00 4.34 0.00 1.93 1.93 0.00 3.30 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.98 0.00 33 R 9.34 4.60 0.00 1.63 1.66 0.00 3.20 0.00 0.00 3.27 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.80 0.00 34 L 8.04 4.36 0.00 1.17 1.03 0.82 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.67 4.53 0.00 1.98 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 2.19 2.20 0.00 36 K 7.39 4.65 0.00 1.75 1.79 0.00 1.45 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.37 7.81 37 V 8.54 4.65 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 0.88 0.00 0.00 0.94 0.00 0.00 38 V 8.57 4.61 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 0.89 0.00 0.00 0.87 0.00 0.00 39 I 8.45 4.70 1.60 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.22 0.70 0.00 0.00 40 N 8.91 5.10 0.00 2.62 2.76 0.00 0.00 7.10 7.16 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 41 Q 8.80 4.41 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.68 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 42 G 8.49 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 43 L 8.75 4.41 0.00 1.64 1.71 0.96 1.08 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 44 G 8.78 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 45 E 8.21 4.70 0.00 2.33 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 2.22 2.20 0.00 46 A 7.67 4.17 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 47 K 7.72 4.63 0.00 1.66 1.62 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.31 1.45 7.81 48 E 8.61 4.56 0.00 2.00 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 2.29 2.20 0.00 49 D 8.14 4.54 0.00 2.70 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 50 A 8.60 4.08 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 R 8.21 4.27 0.00 1.91 1.96 0.00 3.11 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 1.64 1.59 0.00 52 I 7.76 3.78 2.00 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 1.49 1.03 0.90 0.00 0.00 53 L 7.89 3.94 0.00 1.70 1.67 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.86 4.13 0.00 2.17 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 2.29 2.34 0.00 55 K 7.84 3.90 0.00 1.95 1.92 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.39 7.81 56 A 8.11 3.85 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 57 A 8.55 3.94 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 58 Q 7.96 4.14 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 59 E 8.07 4.16 0.00 1.90 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 2.27 2.50 0.00 60 L 8.47 4.07 0.00 2.12 1.75 0.68 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 61 A 7.64 4.54 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 62 L 7.30 3.98 0.00 1.83 1.74 0.93 0.83 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 63 I 7.65 3.76 0.56 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.32 0.82 0.00 0.00 64 T 7.45 4.39 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 0.84 0.00 0.00 65 G 8.65 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 66 Q 7.47 4.45 0.00 1.98 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 67 K 8.42 4.37 0.00 1.74 1.69 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.40 1.44 7.81 68 P 0.00 4.69 0.00 1.96 1.93 0.00 3.69 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 2.22 2.05 0.00 69 A 8.86 4.66 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.24 4.28 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 0.77 0.00 0.00 0.92 0.00 0.00 71 T 8.89 4.36 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 1.27 0.00 0.00 72 R 8.23 5.26 0.00 1.66 1.81 0.00 3.26 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 73 A 8.93 4.02 1.21 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 74 K 9.02 4.11 0.00 1.70 1.30 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.52 7.81 75 K 9.04 4.23 0.00 1.79 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.44 1.46 7.81 76 S 8.28 4.41 0.00 3.86 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 77 I 7.43 4.55 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 1.31 0.88 0.92 0.00 0.00 78 S 7.84 3.86 0.00 3.89 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 79 N 8.56 4.81 0.00 2.77 2.78 0.00 0.00 7.02 7.45 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 80 F 8.98 4.68 0.00 2.89 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 81 K 7.37 5.12 0.00 1.47 1.73 0.00 1.53 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.11 1.04 7.81 82 L 7.39 4.57 0.00 1.81 1.70 0.99 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 0.00 0.00 0.00 0.00 0.00 0.00 83 R 7.50 4.40 0.00 1.76 1.84 0.00 3.28 0.00 0.00 3.30 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 84 K 7.85 4.64 0.00 1.87 1.80 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.48 7.81 85 G 8.86 3.89 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 0.00 0.00 0.00 86 M 8.93 4.85 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 87 P 0.00 5.00 0.00 2.11 2.04 0.00 3.78 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 88 I 9.79 4.35 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 1.28 0.70 0.97 0.00 0.00 89 G 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0.00 2.94 3.00 0.00 0.00 6.98 5.12 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 0.00 124 S 8.25 4.52 0.00 3.83 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 7.83 5.16 0.00 3.07 3.27 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 0.00 126 D 8.98 4.52 0.00 2.79 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 G 9.20 4.58 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 0.00 128 R 8.43 4.58 0.00 1.75 1.89 0.00 3.37 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 129 G 9.09 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 0.00 130 N 8.25 5.32 0.00 3.05 2.70 0.00 0.00 6.56 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Y 8.70 4.62 0.00 2.54 2.57 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 0.00 132 N 7.74 5.15 0.00 2.32 2.49 0.00 0.00 6.68 8.49 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 0.00 133 L 8.88 4.63 0.00 1.63 1.46 1.08 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.56 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 0.00 135 L 8.62 4.74 0.00 1.61 1.62 0.93 0.87 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 0.00 136 R 8.42 4.55 0.00 1.71 1.91 0.00 3.34 0.00 0.00 3.33 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 137 E 7.84 4.63 0.00 2.01 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 2.29 2.38 0.00 138 Q 8.40 4.52 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.39 0.00 139 L 9.17 4.60 0.00 1.95 1.80 1.13 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.14 4.42 1.75 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.02 0.87 0.00 0.00 141 F 8.43 4.72 0.00 3.16 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 0.00 142 P 0.00 4.45 0.00 2.11 2.16 0.00 3.92 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 2.08 2.13 0.00 143 E 8.57 4.06 0.00 2.01 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 2.52 2.40 0.00 144 I 8.38 4.77 1.91 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.08 0.93 0.00 0.00 145 T 8.35 4.68 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 146 Y 9.24 4.12 0.00 3.30 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 D 8.36 4.82 0.00 2.70 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 M 8.04 4.75 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.07 0.00 149 V 7.68 3.64 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 0.82 0.00 0.00 1.07 0.00 0.00 150 D 8.04 4.45 0.00 2.68 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 0.00 151 A 7.36 4.02 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 0.00 152 L 7.97 4.61 0.00 1.69 1.79 0.91 1.05 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 0.00 153 R 8.12 4.48 0.00 1.93 1.94 0.00 3.03 0.00 0.00 3.24 7.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 154 G 8.29 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 *156 D 8.49 4.50 0.00 2.68 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 0.00 157 I 8.36 4.85 1.92 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.81 1.01 0.00 0.00 158 A 8.71 4.81 1.17 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 0.00 159 V 8.82 4.38 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 1.20 0.00 0.00 160 V 8.31 4.61 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 0.94 0.00 0.00 0.91 0.00 0.00 161 T 8.59 4.93 4.41 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 1.26 0.00 0.00 162 T 8.43 4.47 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 1.20 0.00 0.00 163 A 7.99 4.14 1.21 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 0.00 164 E 8.58 4.40 0.00 1.96 2.01 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 2.26 2.24 0.00 165 T 7.10 4.74 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 1.19 0.00 0.00 166 D 8.50 4.18 0.00 2.57 2.41 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 0.00 167 E 8.03 3.75 0.00 2.20 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 0.00 2.35 2.39 0.00 168 E 7.65 3.99 0.00 1.95 1.60 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 1.47 2.07 0.00 169 A 7.38 4.02 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 0.00 170 R 7.75 3.97 0.00 1.54 1.27 0.00 2.55 0.00 0.00 3.13 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.38 0.00 171 A 7.52 4.30 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 0.00 172 L 7.63 3.99 0.00 1.86 1.93 1.25 0.65 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 0.00 173 L 8.03 3.95 0.00 1.94 1.75 0.74 0.57 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 0.00 174 E 8.97 4.20 0.00 2.03 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 0.00 2.27 2.13 0.00 175 L 8.29 4.20 0.00 1.74 1.81 0.99 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 176 L 7.86 4.37 0.00 2.12 2.16 1.26 1.35 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 0.00 177 G 8.08 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 F 8.58 3.69 0.00 3.27 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.68 0.00 2.41 2.30 0.00 3.49 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 2.25 2.04 0.00 180 F 8.14 5.26 0.00 3.04 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 0.00 181 R 8.39 4.72 0.00 1.81 1.89 0.00 3.21 0.00 0.00 3.05 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 182 K 8.10 4.03 0.00 1.68 1.61 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.21 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.