NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 C 4.4917 8.3293 120.8387 58.9357 31.5601 172.9444 11 P 4.4098 0.0000 0.0000 63.0591 32.8596 174.1553 12 L 4.9595 8.3075 123.2069 53.9201 44.8509 176.1409 13 M 4.9798 9.1183 125.8839 53.4242 36.3285 174.9030 14 V 4.8696 8.2577 120.3588 61.0145 35.3904 174.2120 15 K 5.0065 9.1016 128.0319 54.6344 35.5887 174.7888 16 V 4.8246 8.9129 127.0505 61.0940 34.4932 174.1758 17 L 4.9969 8.9275 127.3462 52.8955 45.7311 174.9701 18 D 5.1805 9.1412 121.3473 52.7252 42.5324 176.4861 19 A 4.2939 9.3644 128.9100 53.8633 18.6444 178.6221 20 V 3.9247 8.4846 114.6254 65.3663 32.0781 177.2869 21 R 4.1441 9.3108 117.4294 56.4176 30.7732 176.3327 22 G 3.9087 8.2787 105.4930 45.6771 0.0000 172.4898 23 S 4.8163 7.3212 111.6331 55.9158 67.0219 173.2333 24 P 4.5770 0.0000 0.0000 63.0636 31.6964 175.9092 25 A 4.3960 8.4926 123.8207 50.2623 19.4545 176.4118 26 I 4.2825 8.4927 122.7629 61.5590 38.7155 175.9441 27 N 4.1964 8.3392 121.9875 54.3325 36.7179 174.4805 28 V 4.0593 7.8980 118.5738 61.8644 33.0588 174.9983 29 A 4.6142 8.6490 130.3359 52.0782 19.7948 176.0112 30 V 4.7813 8.9482 122.4256 61.3175 34.9806 173.8125 31 H 5.1377 9.2726 125.0561 53.9171 31.5762 172.9830 32 V 4.8349 8.6425 123.6720 61.2828 33.7343 174.4854 33 F 5.5755 9.6184 125.4666 55.7621 43.1777 173.8625 34 R 4.7648 9.2412 121.7325 54.2379 32.9680 174.5877 35 K 3.9439 8.4074 127.3623 56.1428 32.1268 175.6299 36 A 4.2461 8.8536 129.9274 53.8054 20.5067 177.9670 *39 D 4.4004 8.0593 112.7157 54.3322 42.6814 175.1807 40 T 4.3484 7.6597 106.6840 59.5184 72.1210 172.6229 41 W 5.1211 8.4249 121.4200 55.4033 30.4509 175.8754 42 E 4.9752 9.1753 124.4513 53.6491 31.9259 173.9980 43 P 4.4978 0.0000 0.0000 63.5055 31.6166 175.3558 44 F 4.8891 9.1051 124.0739 59.6234 41.8302 174.5674 45 A 4.6365 7.6753 117.5195 51.3483 22.5128 174.7807 46 S 4.6434 7.5598 112.4893 57.8082 65.9589 174.0749 47 G 3.9489 7.5190 105.5503 46.3811 0.0000 171.9557 48 K 5.3571 8.4920 118.1531 54.2628 35.8023 176.9333 49 T 4.2846 8.4845 114.1329 61.8032 70.3241 174.9692 50 S 4.8699 8.9015 119.0093 57.4953 64.6583 174.5709 51 E 3.9634 8.7072 119.0034 59.2013 29.1022 178.1339 52 S 4.4343 7.9184 111.3955 57.6806 63.5033 174.7166 53 G 3.8461 8.3153 109.3690 45.6498 0.0000 172.8497 54 E 5.1082 7.7900 117.9182 54.1382 33.4403 175.1223 55 L 4.8684 8.6006 123.2692 54.1306 43.8850 175.0859 56 H 4.9796 8.7949 123.0646 53.3905 32.6800 174.3495 57 G 4.2040 8.6577 104.5117 46.7233 0.0000 175.4214 58 L 3.9933 7.3427 121.4801 57.2159 41.7521 177.0631 59 T 4.5358 7.3514 109.8661 60.0297 70.8392 172.3771 60 T 4.7950 8.1886 115.2231 59.9774 72.4761 175.1606 61 E 4.1516 8.8680 121.4297 61.8311 29.7079 180.1290 62 E 4.3738 8.2231 117.8637 59.2571 29.6271 178.6897 63 E 4.4348 7.8898 117.2666 57.9897 31.2043 177.9723 64 F 5.0360 8.1552 121.9058 56.6590 36.6023 174.9266 65 V 3.9933 7.1630 115.2163 59.6115 33.1080 176.0374 66 E 4.4814 7.9640 119.8786 55.5850 29.8414 177.5464 67 G 3.9104 7.7870 109.6314 44.9482 0.0000 170.6518 68 I 4.6411 7.0621 120.0013 60.0473 38.9568 175.0139 69 Y 5.1698 8.6715 123.8656 55.9167 42.0913 174.3191 70 K 4.8765 9.1230 123.5376 54.5865 35.3445 174.7533 71 V 4.7789 9.0655 128.0759 61.5269 33.3892 173.9402 72 E 5.0032 9.6116 128.7895 54.7336 32.0944 175.0701 73 I 4.4144 8.6402 126.1970 59.4861 39.1805 176.0457 74 D 4.8665 8.9446 131.0520 53.5325 37.4961 177.2055 75 T 3.8266 7.6902 113.8348 64.2609 69.3183 176.6617 76 K 4.1048 8.0645 122.0633 59.7613 32.3602 178.8597 77 S 4.1421 8.1089 114.8634 61.4979 62.2525 175.7262 78 Y 3.9540 7.7350 122.2030 60.6982 38.5180 178.3891 79 W 4.0788 8.4532 122.2362 60.2048 29.1591 179.1886 80 K 3.9863 8.5537 123.7998 59.9584 30.9356 180.8826 81 A 4.4036 8.0442 120.3002 53.3053 18.3018 178.4960 82 L 4.5718 6.9247 116.5780 54.7637 41.0146 176.3783 83 G 3.8360 8.0466 106.5300 47.3258 0.0000 173.8063 84 I 4.4294 7.6573 120.1329 58.6369 39.3236 176.0056 85 S 4.2236 8.6835 120.4498 57.5831 62.8607 172.1243 86 P 4.4040 0.0000 0.0000 61.3222 33.1108 175.2990 87 F 4.1550 8.3685 120.6593 60.0575 39.8755 175.9938 88 H 4.4965 7.7645 115.5755 54.4643 29.8932 175.2538 89 E 4.0328 8.6172 122.7250 59.6128 29.4628 176.4144 90 H 4.9006 7.6068 109.9561 55.7275 31.3693 172.8108 91 A 4.0065 8.1218 120.4228 50.4562 20.5133 175.9946 92 E 4.9720 8.5179 122.1474 54.3581 32.7482 174.9980 93 V 4.4743 8.9183 126.6039 61.2760 34.3468 174.0334 94 V 5.1375 8.6629 128.4074 61.1457 33.3069 174.5585 95 F 5.1578 9.1258 122.1189 55.8150 41.8186 173.2945 96 T 4.7404 8.7071 116.8540 62.9151 69.7061 173.9456 97 A 4.7113 9.1966 131.3602 51.1842 20.9090 176.2590 98 N 5.3598 9.7065 120.8932 51.2924 41.2394 172.3182 99 D 4.5554 9.1080 122.3908 56.9787 41.6037 177.5746 100 S 4.5085 7.7355 115.5226 57.9638 62.9168 179.2948 *104 R 4.3684 7.8168 121.9191 57.0220 31.6330 173.5035 105 Y 5.1071 9.1459 124.2194 56.4948 41.0423 174.6223 106 T 4.8959 8.9094 121.4245 61.8965 71.2276 173.3766 107 I 4.6894 8.7312 128.1408 59.7874 39.0326 174.5662 108 A 5.2884 8.8173 129.0073 50.0011 21.9464 174.8431 109 A 5.2725 9.2197 122.3866 49.9991 23.2228 174.8772 110 L 5.0330 9.2402 122.8817 53.3796 45.0668 175.0281 111 L 5.3050 8.9281 126.8139 53.4164 43.9986 176.0081 112 S 5.1588 9.3250 118.4398 56.1014 67.2822 173.4581 113 P 3.3591 0.0000 0.0000 65.2164 31.1097 177.8452 114 Y 4.7555 7.7095 112.2253 57.2071 38.5000 174.9410 115 S 4.8101 8.1001 113.4714 57.7191 65.6994 172.8345 116 Y 5.4917 8.0451 122.1067 55.8745 41.0291 173.7071 117 S 4.8190 9.2656 114.7612 56.9099 65.9015 172.6111 118 T 5.2934 8.4022 118.5438 60.9913 70.7306 172.4172 119 T 4.8310 8.8885 119.8549 60.5690 71.6704 171.9033 120 A 5.1434 8.5520 126.5775 50.0369 21.6496 175.8408 121 V 4.1397 8.8080 123.0166 61.2281 33.5396 174.7507 122 V 4.6252 8.3797 128.9030 61.2157 33.1768 175.3067 123 T 4.2333 8.3609 117.9674 61.8664 68.4602 173.8014 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 10 C 8.33 4.49 0.00 2.95 2.96 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 11 P 0.00 4.41 0.00 2.45 2.48 0.00 3.41 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.31 0.00 12 L 8.31 4.96 0.00 0.60 0.99 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 13 M 9.12 4.98 0.00 1.78 1.81 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 14 V 8.26 4.87 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 0.88 0.00 0.00 15 K 9.10 5.01 0.00 1.71 1.53 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.46 7.81 16 V 8.91 4.82 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 0.75 0.00 0.00 0.80 0.00 0.00 17 L 8.93 5.00 0.00 1.59 1.52 0.92 0.81 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 18 D 9.14 5.18 0.00 2.62 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 19 A 9.36 4.29 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 20 V 8.48 3.92 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 0.95 0.00 0.00 0.96 0.00 0.00 21 R 9.31 4.14 0.00 1.91 2.05 0.00 3.42 0.00 0.00 3.36 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.09 0.00 22 G 8.28 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 0.00 0.00 0.00 23 S 7.32 4.82 0.00 3.89 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 24 P 0.00 4.58 0.00 2.12 2.17 0.00 3.76 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 1.99 2.02 0.00 25 A 8.49 4.40 0.52 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 26 I 8.49 4.28 1.93 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 1.35 0.62 0.96 0.00 0.00 27 N 8.34 4.20 0.00 2.91 2.92 0.00 0.00 6.93 7.04 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 28 V 7.90 4.06 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 0.75 0.00 0.00 0.54 0.00 0.00 29 A 8.65 4.61 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 30 V 8.95 4.78 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 0.97 0.00 0.00 0.91 0.00 0.00 31 H 9.27 5.14 0.00 3.11 2.60 0.00 5.83 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.64 4.83 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.96 0.00 0.00 33 F 9.62 5.58 0.00 2.86 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 34 R 9.24 4.76 0.00 1.54 1.64 0.00 2.71 0.00 0.00 2.93 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.50 0.00 35 K 8.41 3.94 0.00 0.91 1.19 0.00 0.98 0.00 0.00 1.26 0.00 0.00 2.72 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.83 0.21 7.81 36 A 8.85 4.25 1.20 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 0.00 0.00 0.00 *39 D 8.06 4.40 0.00 2.61 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 40 T 7.66 4.35 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 1.16 0.00 0.00 41 W 8.42 5.12 0.00 3.03 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 42 E 9.18 4.98 0.00 2.11 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 2.26 2.42 0.00 43 P 0.00 4.50 0.00 2.00 2.00 0.00 3.77 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 2.15 2.36 0.00 44 F 9.11 4.89 0.00 3.08 3.17 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 45 A 7.68 4.64 1.14 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 0.00 0.00 46 S 7.56 4.64 0.00 3.57 3.54 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 47 G 7.52 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 48 K 8.49 5.36 0.00 1.57 1.65 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.35 7.81 49 T 8.48 4.28 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 1.17 0.00 0.00 50 S 8.90 4.87 0.00 3.98 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 51 E 8.71 3.96 0.00 1.97 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 0.00 2.31 2.24 0.00 52 S 7.92 4.43 0.00 4.01 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 53 G 8.32 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 54 E 7.79 5.11 0.00 1.93 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 2.25 2.42 0.00 55 L 8.60 4.87 0.00 1.64 1.39 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 56 H 8.79 4.98 0.00 3.12 3.16 0.00 6.02 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 57 G 8.66 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 0.00 0.00 0.00 0.00 58 L 7.34 3.99 0.00 1.71 1.68 0.86 0.61 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 59 T 7.35 4.54 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 1.04 0.00 0.00 60 T 8.19 4.80 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 61 E 8.87 4.15 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 2.24 1.99 0.00 62 E 8.22 4.37 0.00 1.98 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 2.36 2.45 0.00 63 E 7.89 4.43 0.00 2.04 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 0.00 2.38 2.32 0.00 64 F 8.16 5.04 0.00 3.19 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 65 V 7.16 3.99 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 0.84 0.00 0.00 0.95 0.00 0.00 66 E 7.96 4.48 0.00 1.91 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 2.41 2.29 0.00 67 G 7.79 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 0.00 0.00 0.00 68 I 7.06 4.64 1.64 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 1.27 0.59 1.06 0.00 0.00 69 Y 8.67 5.17 0.00 1.76 2.55 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 70 K 9.12 4.88 0.00 0.79 0.74 0.00 1.28 0.00 0.00 0.95 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.07 1.09 7.81 71 V 9.07 4.78 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 0.92 0.00 0.00 1.17 0.00 0.00 72 E 9.61 5.00 0.00 2.02 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 2.05 2.29 0.00 73 I 8.64 4.41 1.71 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.16 0.77 0.00 0.00 74 D 8.94 4.87 0.00 2.76 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 75 T 7.69 3.83 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 1.14 0.00 0.00 76 K 8.06 4.10 0.00 2.20 1.89 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.58 7.81 77 S 8.11 4.14 0.00 3.94 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 78 Y 7.73 3.95 0.00 2.83 2.84 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 79 W 8.45 4.08 0.00 3.50 3.39 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 80 K 8.55 3.99 0.00 1.75 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.34 7.81 81 A 8.04 4.40 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 82 L 6.92 4.57 0.00 1.65 1.65 0.92 0.07 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 83 G 8.05 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 84 I 7.66 4.43 2.18 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.80 0.71 0.00 0.00 85 S 8.68 4.22 0.00 3.99 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 86 P 0.00 4.40 0.00 2.28 2.27 0.00 3.75 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 1.97 2.26 0.00 87 F 8.37 4.16 0.00 1.71 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 88 H 7.76 4.50 0.00 3.21 3.35 0.00 5.95 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.62 4.03 0.00 1.74 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 2.18 2.15 0.00 90 H 7.61 4.90 0.00 3.23 3.22 0.00 5.12 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.12 4.01 0.31 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 92 E 8.52 4.97 0.00 1.99 1.84 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 2.10 2.15 0.00 93 V 8.92 4.47 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 1.04 0.00 0.00 1.02 0.00 0.00 94 V 8.66 5.14 2.21 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 1.13 0.00 0.00 0.93 0.00 0.00 95 F 9.13 5.16 0.00 3.11 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 96 T 8.71 4.74 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 1.22 0.00 0.00 97 A 9.20 4.71 0.76 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 98 N 9.71 5.36 0.00 2.41 2.53 0.00 0.00 7.09 8.20 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 99 D 9.11 4.56 0.00 2.83 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 0.00 100 S 7.74 4.51 0.00 3.62 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 *104 R 7.82 4.37 0.00 1.88 1.81 0.00 3.08 0.00 0.00 3.46 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 105 Y 9.15 5.11 0.00 2.90 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 0.00 106 T 8.91 4.90 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 1.17 0.00 0.00 107 I 8.73 4.69 1.81 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.90 0.87 0.00 0.00 108 A 8.82 5.29 1.20 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 0.00 0.00 0.00 109 A 9.22 5.27 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 0.00 110 L 9.24 5.03 0.00 1.75 1.57 0.98 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.93 5.30 0.00 1.80 1.98 0.51 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 112 S 9.32 5.16 0.00 3.91 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 0.00 113 P 0.00 3.36 0.00 2.01 1.72 0.00 3.32 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.53 0.00 114 Y 7.71 4.76 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 0.00 115 S 8.10 4.81 0.00 3.81 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 0.00 116 Y 8.05 5.49 0.00 3.12 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 0.00 117 S 9.27 4.82 0.00 3.90 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 0.00 118 T 8.40 5.29 4.47 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 1.34 0.00 0.00 119 T 8.89 4.83 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 1.21 0.00 0.00 120 A 8.55 5.14 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 0.00 121 V 8.81 4.14 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 0.98 0.00 0.00 0.91 0.00 0.00 122 V 8.38 4.63 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 0.44 0.00 0.00 0.92 0.00 0.00 123 T 8.36 4.23 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 1.16 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.