NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.9243 8.1316 120.0251 54.6462 43.1036 175.7610 1 V 3.9415 8.1470 120.6558 62.1277 32.6105 174.2519 2 K 4.5001 8.8294 123.3734 56.3160 36.8729 174.9781 3 K 4.8659 8.0932 121.6846 54.6947 34.0842 175.1948 4 V 4.9407 8.7252 127.6828 60.9567 34.9004 173.7522 5 L 5.1344 9.0725 129.5432 53.2153 44.4455 174.6986 6 L 4.9167 9.0660 129.8505 54.5785 43.5193 175.1939 7 I 5.1628 9.0267 127.4704 59.6262 40.3226 174.2347 8 N 5.4341 9.8948 124.7876 51.7390 41.4612 174.6607 9 G 4.3417 8.5953 114.1624 43.5926 0.0000 171.2417 10 P 4.2783 0.0000 0.0000 64.5486 31.6711 176.5518 11 N 4.7048 9.8600 118.7633 53.6357 38.4559 176.5642 12 L 3.9600 7.7430 118.0961 57.7716 41.8349 179.0581 13 N 4.1199 8.2225 114.3861 55.7887 37.0229 175.4953 14 L 4.2311 8.1587 117.8957 55.4115 42.4444 176.4603 15 L 4.3308 8.1603 121.4550 55.1113 41.0612 176.3755 16 G 4.2709 7.9491 108.3468 44.2670 0.0000 172.1475 17 T 4.2389 8.6073 122.9801 63.7446 69.3390 176.8910 18 R 3.9304 7.6507 121.3578 58.8482 30.4468 176.5187 *23 Y 4.5347 7.6411 116.3228 56.6193 40.7034 174.6421 24 G 4.1278 7.5768 107.8473 44.4372 0.0000 174.7178 25 T 3.9326 8.3140 108.7000 62.4827 67.6002 174.3338 26 T 3.9743 8.5038 121.3707 64.3458 68.2276 174.3445 27 S 5.5173 8.9087 121.2143 55.8723 65.5859 175.1138 28 L 3.8821 8.2807 121.1887 58.2890 41.8622 178.4234 29 S 4.0889 8.0783 112.5886 61.5816 62.1552 175.8354 30 D 4.3760 8.0510 121.6834 57.0475 40.5062 178.8217 31 I 3.5734 7.2485 119.4980 64.3039 37.1294 178.0148 32 E 3.8538 7.7798 119.0313 59.7182 29.4790 179.5532 33 Q 3.9536 7.8868 116.9926 58.8518 28.5531 178.7405 34 A 3.9733 7.8682 120.2361 55.3422 18.6504 179.0889 35 A 4.0346 7.9852 119.0112 55.5259 18.5150 179.7533 36 I 3.5492 7.7450 117.5110 64.6033 37.2454 177.6617 37 E 4.1962 8.0562 118.4874 57.8366 29.3800 178.3081 38 Q 3.9073 8.1902 120.0975 59.3955 29.2045 177.3717 39 A 4.0466 8.1243 121.3337 55.1049 18.4865 179.5968 40 K 4.0151 7.9795 115.6902 59.5589 32.0789 178.9166 41 L 4.0371 7.5470 118.3988 57.4663 42.0534 178.4767 42 K 4.0644 8.4522 117.3410 56.6507 32.9588 175.8748 43 N 4.1903 8.0598 117.9729 53.6202 37.7450 174.2601 44 N 4.7804 7.8283 108.3000 51.7211 37.5003 174.1503 45 D 4.4283 8.2225 112.8568 56.7905 38.6574 174.0089 46 S 5.0483 7.9601 113.1332 57.3475 65.2295 173.7403 47 E 4.6698 8.9292 123.0714 54.8666 33.4062 173.7245 48 V 4.8898 8.4731 126.4230 61.2928 33.3913 174.6234 49 L 4.7663 8.7830 128.0708 53.6668 43.8540 176.0669 50 V 5.0961 8.2626 114.0700 59.8267 35.2000 174.7574 51 F 5.0048 9.2154 125.1818 57.1531 43.2650 172.7790 52 Q 5.3817 6.8781 122.8134 55.6618 31.8997 173.2620 53 S 4.5170 8.1112 116.2014 57.9255 65.0480 174.7631 54 N 4.5987 9.0449 121.8102 53.5961 39.1854 174.9913 55 T 4.4000 7.6113 116.8231 62.0355 69.2378 174.6440 56 E 3.7298 9.0315 128.2249 59.4542 29.5664 179.2687 57 G 3.5970 7.8350 104.9496 47.8044 0.0000 175.5187 58 F 4.7914 8.1215 119.7176 60.5583 38.9407 177.8790 59 I 3.9665 7.9985 119.1367 64.3439 37.0097 178.3319 60 I 3.6149 7.8598 120.6665 64.4512 36.9657 177.8639 61 D 4.2395 8.5571 120.0216 57.6285 40.6154 179.2931 62 R 4.0105 7.5662 120.0281 58.8896 29.8484 178.5273 63 I 3.6331 7.7019 119.5900 64.6514 36.6884 178.0517 64 H 4.1741 8.2922 116.9960 58.8615 28.4033 177.4497 65 E 3.9215 8.2049 120.0328 59.4880 29.3686 179.0035 66 A 4.1243 7.9258 122.1127 54.6938 18.2948 179.1809 67 K 3.7542 7.7702 117.4444 60.1939 32.0104 179.1567 68 R 3.9521 7.4745 115.7602 58.8751 30.0650 178.1673 69 Q 4.3572 8.1389 116.3268 55.4875 28.4690 177.0122 70 G 3.9248 8.0507 108.1101 45.9390 0.0000 174.1727 71 V 3.6559 7.8140 120.0017 62.9432 31.6060 176.3593 72 G 3.9838 8.9272 115.1118 48.2106 0.0000 173.4582 73 F 4.9521 7.9940 120.9604 57.1792 42.9791 172.6524 74 V 5.0265 8.6471 125.8107 61.1820 34.2763 174.1941 75 V 4.9573 8.8990 127.5325 61.2919 33.7293 174.0632 76 I 5.1462 8.9648 127.8570 59.2235 41.7361 173.5199 77 N 5.3021 9.2594 126.9637 51.9440 40.9815 174.1892 78 A 4.4686 8.8716 128.7772 51.3110 20.3561 178.1113 79 G 3.7604 8.1637 105.7354 46.0674 0.0000 175.9548 80 A 4.1045 8.5457 121.0500 55.6749 18.7069 179.3420 81 Y 4.7817 7.8454 113.4343 61.2314 37.6163 178.5194 82 T 3.9641 8.0640 117.2977 66.7449 68.3818 174.8405 83 H 5.1179 8.6402 115.0413 55.9864 29.6099 175.4010 84 T 4.7242 7.8966 108.1169 60.8213 70.2535 174.1517 85 S 4.5673 8.1061 117.6207 55.7399 61.3403 174.1584 86 V 3.3474 7.5917 126.7877 65.2185 31.4624 177.5164 87 G 3.4856 7.7822 105.2661 47.6185 0.0000 175.5925 88 I 3.6411 8.2560 122.5048 63.9762 37.0094 178.2536 89 R 3.7726 7.6020 119.6286 59.8562 29.9649 178.4162 90 D 4.3173 8.2762 117.9504 56.8855 40.7235 178.6743 91 A 4.0935 7.7481 121.5658 54.9636 18.4850 179.7077 92 L 3.8705 7.7616 117.5433 57.8254 41.4524 179.7187 93 L 4.1512 8.0742 118.3955 57.5909 41.6360 179.2612 94 G 3.8440 8.2360 105.3818 47.9449 0.0000 175.1200 95 T 4.1413 7.8432 108.9920 60.6501 69.6867 174.2222 96 A 3.7396 7.5476 123.3293 53.3426 16.5930 177.2851 97 I 4.2875 7.6632 120.8621 60.0644 38.7210 174.7045 98 P 4.4420 0.0000 0.0000 63.0720 32.5509 175.0939 99 F 5.5726 7.4495 114.0970 56.0359 41.5870 172.6351 100 I 4.7562 8.6080 120.3552 59.5576 40.4372 173.9553 101 E 4.9567 8.7987 127.8893 55.1205 31.0971 174.7091 102 V 4.7835 8.6461 127.3484 61.3408 33.8601 174.3132 103 H 4.8869 8.7938 124.3206 53.9941 31.6415 174.9584 104 I 3.8497 8.7098 123.9597 63.8734 38.1430 176.1111 105 T 4.7777 7.7105 109.4334 59.2036 71.4363 173.1365 106 N 4.5458 8.3500 119.7842 52.7573 38.3272 175.7644 107 V 3.6217 8.1941 120.6411 64.3989 31.8592 178.4254 108 H 3.8085 8.1071 116.0789 58.0593 28.4759 176.2123 109 Q 4.2413 7.8480 116.9760 56.6707 29.1523 175.7571 110 R 4.8314 7.4119 118.3786 54.3958 32.7062 174.7425 111 E 3.9199 8.5910 118.7291 57.1364 30.2823 176.4779 112 P 3.6930 0.0000 0.0000 65.5373 32.0115 178.1328 113 F 4.4869 7.9437 114.2482 58.6864 37.7653 176.7037 114 R 3.7295 7.6822 120.3188 57.7751 30.0571 177.3247 115 H 4.3177 8.1956 115.1265 57.8741 28.9190 175.8501 116 Q 4.1713 7.4617 118.0401 55.4257 29.0975 175.4341 117 S 4.8166 8.2002 116.1287 56.8191 65.1810 173.2042 118 Y 4.4502 8.9004 124.3153 59.0363 38.3507 176.0862 119 L 4.7050 7.9433 120.2011 56.5757 43.7321 178.5281 120 S 4.1798 8.3859 115.2132 61.8494 62.7669 176.4326 121 D 4.5732 8.1260 116.0666 54.7222 39.5056 176.6347 122 K 4.3320 7.9724 117.9303 56.3826 33.2363 176.5733 123 A 2.8189 7.2068 121.5553 51.2000 18.9987 177.7845 124 V 3.7722 8.0749 120.5836 65.5474 32.2927 175.7057 125 A 4.7791 7.4514 119.9207 50.4190 23.4020 175.1888 126 V 4.7055 8.0205 117.6253 60.5169 34.1236 174.6821 127 I 4.6001 8.5666 126.9462 59.4515 39.1899 174.6019 128 C 5.0153 8.3224 120.7745 57.3454 32.7803 174.1492 129 G 3.8563 8.6820 108.4581 46.4777 0.0000 173.8334 130 L 4.3236 7.9864 118.7935 54.2600 42.5452 177.8745 131 G 3.8983 7.9228 106.8209 45.3820 0.0000 174.1417 132 V 3.9002 8.4809 116.2530 66.3899 31.2144 178.0398 133 Y 4.3984 8.4669 119.0149 60.7457 38.4931 178.0977 134 G 3.6359 8.2898 106.6620 48.2240 0.0000 175.2126 135 Y 4.1108 8.1749 118.8247 61.1228 37.8273 178.5437 136 T 4.1845 8.0607 117.3650 66.0553 68.6430 176.4936 137 A 3.7711 7.8187 122.7713 54.9402 18.2834 179.4755 138 A 3.9675 7.8013 119.0870 55.4317 18.4082 179.9957 139 I 3.6432 7.8662 118.3429 64.2395 36.9064 178.1797 140 E 3.9142 8.2393 119.1801 59.7325 29.6843 178.5153 141 Y 3.9444 8.0602 118.7702 60.5654 38.6521 177.6433 142 A 2.7891 7.7705 120.4976 55.0948 18.5072 179.2174 143 L 4.1489 7.5169 113.4319 55.5203 42.6229 177.0576 144 N 4.9563 7.8238 116.5848 52.8819 39.2858 174.1215 145 Y 4.1685 7.3543 118.9694 57.8162 41.1487 175.3637 146 Q 2.9510 8.7104 119.0522 57.1598 25.0124 174.9334 147 L 4.1710 7.4646 124.7367 53.9866 41.1652 177.2490 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 0 L 8.13 4.92 0.00 1.65 1.67 0.88 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 1 V 8.15 3.94 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 0.83 0.00 0.00 1.21 0.00 0.00 2 K 8.83 4.50 0.00 1.69 1.98 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.35 7.81 3 K 8.09 4.87 0.00 1.85 1.70 0.00 1.67 0.00 0.00 1.83 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.42 7.81 4 V 8.73 4.94 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 1.02 0.00 0.00 0.93 0.00 0.00 5 L 9.07 5.13 0.00 1.78 1.55 1.02 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.07 4.92 0.00 1.86 1.58 1.20 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 7 I 9.03 5.16 1.97 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 1.39 0.70 1.06 0.00 0.00 8 N 9.89 5.43 0.00 2.64 2.70 0.00 0.00 6.44 6.49 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 9 G 8.60 4.34 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 0.00 0.00 0.00 10 P 0.00 4.28 0.00 1.90 1.75 0.00 3.60 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.44 0.00 11 N 9.86 4.70 0.00 2.85 3.08 0.00 0.00 6.84 6.60 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 12 L 7.74 3.96 0.00 1.90 1.76 1.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.22 4.12 0.00 2.79 3.13 0.00 0.00 6.04 7.79 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 14 L 8.16 4.23 0.00 1.83 1.74 0.92 0.38 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 15 L 8.16 4.33 0.00 1.84 1.82 0.98 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.95 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 0.00 0.00 0.00 0.00 17 T 8.61 4.24 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 1.19 0.00 0.00 18 R 7.65 3.93 0.00 1.78 1.96 0.00 3.31 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 *23 Y 7.64 4.53 0.00 3.02 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 G 7.58 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.31 3.93 4.18 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 1.13 0.00 0.00 26 T 8.50 3.97 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 1.23 0.00 0.00 27 S 8.91 5.52 0.00 3.96 3.97 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 28 L 8.28 3.88 0.00 1.88 1.65 0.83 0.54 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 29 S 8.08 4.09 0.00 3.89 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 30 D 8.05 4.38 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 I 7.25 3.57 1.75 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.88 0.01 0.00 0.00 32 E 7.78 3.85 0.00 2.00 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 2.24 2.57 0.00 33 Q 7.89 3.95 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 34 A 7.87 3.97 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 35 A 7.99 4.03 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 36 I 7.74 3.55 2.06 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 1.60 1.13 0.91 0.00 0.00 37 E 8.06 4.20 0.00 2.16 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 0.00 2.28 2.36 0.00 38 Q 8.19 3.91 0.00 2.31 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 39 A 8.12 4.05 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.98 4.02 0.00 2.04 1.89 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.67 7.81 41 L 7.55 4.04 0.00 1.83 1.81 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.45 4.06 0.00 1.88 1.85 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.79 1.58 7.81 43 N 8.06 4.19 0.00 2.76 2.79 0.00 0.00 6.95 7.30 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 44 N 7.83 4.78 0.00 2.82 2.81 0.00 0.00 6.35 8.06 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 45 D 8.22 4.43 0.00 2.83 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.96 5.05 0.00 3.74 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 47 E 8.93 4.67 0.00 2.02 1.74 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 2.22 2.27 0.00 48 V 8.47 4.89 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 0.90 0.00 0.00 0.95 0.00 0.00 49 L 8.78 4.77 0.00 1.68 1.59 0.93 0.56 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 50 V 8.26 5.10 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 0.70 0.00 0.00 0.95 0.00 0.00 51 F 9.22 5.00 0.00 3.04 2.87 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 0.00 0.00 0.00 52 Q 6.88 5.38 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.54 0.00 0.00 0.00 0.00 0.00 2.35 2.07 0.00 53 S 8.11 4.52 0.00 3.78 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 54 N 9.04 4.60 0.00 2.75 2.79 0.00 0.00 6.88 7.54 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 55 T 7.61 4.40 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.00 0.00 56 E 9.03 3.73 0.00 1.16 1.63 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 2.11 1.82 0.00 57 G 7.84 3.60 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 0.00 0.00 0.00 58 F 8.12 4.79 0.00 3.36 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 59 I 8.00 3.97 2.13 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 1.96 1.35 1.02 0.00 0.00 60 I 7.86 3.61 1.91 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.83 0.76 0.00 0.00 61 D 8.56 4.24 0.00 2.82 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 7.57 4.01 0.00 1.12 1.66 0.00 2.91 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 1.22 0.00 63 I 7.70 3.63 1.95 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 1.47 1.28 0.88 0.00 0.00 64 H 8.29 4.17 0.00 3.30 3.31 0.00 5.65 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 65 E 8.20 3.92 0.00 2.11 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 2.27 2.28 0.00 66 A 7.93 4.12 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 67 K 7.77 3.75 0.00 1.81 1.97 0.00 1.53 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.54 7.81 68 R 7.47 3.95 0.00 1.81 1.97 0.00 3.20 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.79 0.00 69 Q 8.14 4.36 0.00 2.26 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.95 0.00 0.00 0.00 0.00 0.00 2.36 2.55 0.00 70 G 8.05 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 71 V 7.81 3.66 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 0.90 0.00 0.00 0.95 0.00 0.00 72 G 8.93 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 73 F 7.99 4.95 0.00 3.03 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 74 V 8.65 5.03 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 1.08 0.00 0.00 0.95 0.00 0.00 75 V 8.90 4.96 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 1.12 0.00 0.00 1.08 0.00 0.00 76 I 8.96 5.15 1.91 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 1.15 1.55 1.01 0.00 0.00 77 N 9.26 5.30 0.00 2.85 2.83 0.00 0.00 6.90 7.82 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 78 A 8.87 4.47 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 79 G 8.16 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.55 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 81 Y 7.85 4.78 0.00 3.15 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 82 T 8.06 3.96 3.88 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 1.31 0.00 0.00 83 H 8.64 5.12 0.00 3.27 3.48 0.00 5.60 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 84 T 7.90 4.72 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 85 S 8.11 4.57 0.00 3.69 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 86 V 7.59 3.35 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 0.83 0.00 0.00 -0.03 0.00 0.00 87 G 7.78 3.49 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 0.00 88 I 8.26 3.64 1.83 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.67 0.83 0.00 0.00 89 R 7.60 3.77 0.00 2.04 2.12 0.00 3.17 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.77 0.00 90 D 8.28 4.32 0.00 2.84 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 91 A 7.75 4.09 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 92 L 7.76 3.87 0.00 1.62 1.49 -0.49 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.07 4.15 0.00 1.61 1.75 0.96 1.27 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 94 G 8.24 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 95 T 7.84 4.14 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 1.19 0.00 0.00 96 A 7.55 3.74 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 97 I 7.66 4.29 1.84 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 1.47 0.63 0.86 0.00 0.00 98 P 0.00 4.44 0.00 1.09 1.92 0.00 3.72 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.84 0.00 99 F 7.45 5.57 0.00 3.08 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 0.00 100 I 8.61 4.76 2.03 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 1.18 1.08 0.87 0.00 0.00 101 E 8.80 4.96 0.00 2.21 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 2.16 2.29 0.00 102 V 8.65 4.78 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 0.11 0.00 0.00 0.73 0.00 0.00 103 H 8.79 4.89 0.00 3.04 3.19 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.71 3.85 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.20 1.01 0.00 0.00 105 T 7.71 4.78 4.25 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 1.24 0.00 0.00 106 N 8.35 4.55 0.00 2.82 2.75 0.00 0.00 6.88 7.71 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 0.00 107 V 8.19 3.62 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 0.57 0.00 0.00 0.64 0.00 0.00 108 H 8.11 3.81 0.00 3.19 3.24 0.00 5.65 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.85 4.24 0.00 2.29 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.60 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 110 R 7.41 4.83 0.00 1.78 1.71 0.00 3.13 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 111 E 8.59 3.92 0.00 1.25 1.64 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 2.41 2.28 0.00 112 P 0.00 3.69 0.00 2.15 2.16 0.00 3.58 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 113 F 7.94 4.49 0.00 3.23 3.35 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 0.00 114 R 7.68 3.73 0.00 1.49 1.75 0.00 2.96 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.56 0.00 115 H 8.20 4.32 0.00 3.06 3.35 0.00 5.67 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.46 4.17 0.00 2.12 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.59 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 117 S 8.20 4.82 0.00 3.82 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 Y 8.90 4.45 0.00 3.13 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 0.00 119 L 7.94 4.70 0.00 2.03 2.09 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.39 4.18 0.00 3.92 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 0.00 121 D 8.13 4.57 0.00 2.80 2.81 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 0.00 122 K 7.97 4.33 0.00 2.03 2.03 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.47 1.61 7.81 123 A 7.21 2.82 0.94 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 0.00 124 V 8.07 3.77 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 0.95 0.00 0.00 0.77 0.00 0.00 125 A 7.45 4.78 0.94 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 0.00 126 V 8.02 4.71 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.95 0.00 0.00 127 I 8.57 4.60 1.77 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.67 0.85 0.00 0.00 128 C 8.32 5.02 0.00 2.96 2.90 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 0.00 129 G 8.68 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 0.00 130 L 7.99 4.32 0.00 1.62 1.80 1.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.92 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 0.00 132 V 8.48 3.90 2.20 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 1.23 0.00 0.00 1.05 0.00 0.00 133 Y 8.47 4.40 0.00 3.07 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 G 8.29 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 0.00 135 Y 8.17 4.11 0.00 3.15 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 0.00 136 T 8.06 4.18 4.08 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 0.00 0.00 1.31 0.00 0.00 137 A 7.82 3.77 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.80 3.97 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 0.00 139 I 7.87 3.64 2.03 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.96 0.94 0.00 0.00 140 E 8.24 3.91 0.00 2.04 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 2.35 2.49 0.00 141 Y 8.06 3.94 0.00 3.10 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 0.00 142 A 7.77 2.79 0.92 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 0.00 143 L 7.52 4.15 0.00 1.70 1.68 0.90 0.79 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 0.00 144 N 7.82 4.96 0.00 2.47 2.65 0.00 0.00 6.68 7.03 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 0.00 145 Y 7.35 4.17 0.00 2.99 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 0.00 146 Q 8.71 2.95 0.00 1.40 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.49 0.00 0.00 0.00 0.00 0.00 1.52 1.99 0.00 147 L 7.46 4.17 0.00 1.65 1.55 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.