NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 Y 4.6587 8.1449 121.6890 57.3468 39.9787 174.1236 6 V 4.0076 7.2219 119.1829 57.4116 34.6655 172.1616 7 E 4.2249 9.0478 123.4957 54.4103 31.9344 174.0449 8 P 4.4899 0.0000 0.0000 62.7224 32.0272 175.7628 9 K 4.7742 8.5980 122.7453 55.1160 35.1705 175.6554 10 F 4.7448 8.9754 121.6432 55.3175 40.5358 175.1487 11 L 4.0690 8.7926 126.0698 54.8781 42.6818 176.8682 12 N 4.1287 8.8847 122.9007 53.8709 40.1149 175.2282 13 K 3.8106 8.6309 128.0415 59.8831 32.4505 178.7534 14 A 4.0110 7.8897 120.7484 55.1181 18.2123 179.6642 15 F 4.2613 7.8767 116.0106 60.4597 38.8835 177.4341 16 E 4.0509 8.2757 119.0400 59.4718 29.5316 178.8404 17 V 3.6137 7.9752 118.0935 65.9932 31.5935 177.7787 18 A 4.0463 8.0586 120.1370 55.1472 18.2310 179.4762 19 L 4.0322 8.0322 117.4135 57.9931 41.6986 179.9184 20 K 4.0809 8.4049 118.1976 59.5366 31.9851 179.2278 21 V 3.6055 7.9632 118.4719 66.4801 31.5150 178.1083 22 Q 3.9817 7.9660 116.9118 59.0245 28.5495 178.9432 23 I 3.3899 8.0631 121.1982 64.3530 37.0445 178.6238 24 I 3.7097 7.9693 120.6161 63.8682 36.8631 178.2589 25 A 4.1498 8.3758 122.2864 55.0357 18.2189 179.8354 26 G 3.6095 7.9293 103.7780 48.1670 0.0000 175.6908 27 F 4.4350 8.3184 121.0532 60.5736 38.9512 177.6947 28 D 4.4527 8.7789 118.7701 57.2717 40.5458 178.8169 29 R 4.0997 8.6449 119.9552 59.3272 30.0785 178.7837 30 G 3.7003 8.4131 105.7102 47.6814 0.0000 175.4890 31 L 3.8943 8.0519 122.6691 57.7993 42.1589 179.1416 32 V 3.6568 7.9580 118.2184 66.0580 31.6239 178.1153 33 K 4.0192 8.4224 118.4129 59.2508 31.8983 179.1543 34 W 4.2989 8.5411 128.6202 60.6065 30.6881 178.0609 35 L 4.0941 8.8452 119.3548 57.6402 40.7798 179.2055 36 R 3.8693 7.7011 117.9163 59.4204 29.9689 178.1389 37 V 3.7014 6.9477 115.0037 64.8181 31.9181 176.7115 38 H 4.5306 7.7414 112.5776 55.1297 30.0073 175.5345 39 G 3.8446 8.2416 107.7576 45.2339 0.0000 176.0755 40 R 3.7716 7.3638 120.1661 59.4857 30.1899 177.0816 41 T 4.4272 7.7570 108.4602 61.5429 67.3736 173.4713 42 L 4.8802 7.7822 120.0048 52.6816 43.8228 177.2908 43 S 4.5031 9.1715 118.1311 58.0698 65.4484 175.5941 44 T 3.8837 8.2409 117.3379 66.9042 68.1402 177.4919 45 V 3.3261 7.6554 113.7889 64.0965 31.5716 178.5692 46 Q 4.0242 7.9072 117.8767 58.7576 28.5755 178.5415 47 K 3.9953 8.0161 119.5563 59.5784 32.1098 179.5661 48 K 4.0782 8.1317 118.6119 59.2806 31.7881 179.3201 49 A 4.4359 7.9644 121.1672 55.1766 18.1618 179.6562 50 L 4.0335 8.0141 117.7116 57.9130 41.5180 179.1205 51 Y 3.9359 8.0777 117.0019 60.9760 37.7640 178.3876 52 F 4.4895 8.6629 123.0962 60.6136 39.4397 177.1571 53 V 3.6666 8.2080 118.1992 66.2409 31.2924 177.6722 54 N 4.4116 8.0409 115.7127 56.5649 38.4475 177.6856 55 R 3.9776 7.7793 119.3790 59.1036 30.1239 178.9289 56 R 3.9032 7.7717 120.2112 58.9951 29.8916 177.5842 57 Y 3.8938 8.5941 119.5908 61.1423 38.5218 178.0015 58 M 4.4997 8.3402 118.3714 58.8391 32.0919 178.1196 59 Q 4.0565 8.1412 118.4364 59.1395 28.8161 178.3856 60 T 4.2908 7.9753 107.3095 62.7014 69.4726 175.1299 61 H 4.3291 7.6955 118.4088 54.9284 29.6831 175.3631 62 W 4.1527 7.8301 131.6836 60.7959 30.4225 177.6454 63 A 3.5069 7.8994 119.7589 54.9334 17.3748 179.1787 64 N 4.2336 7.7251 114.6876 56.7183 38.5560 177.0386 65 Y 4.4664 7.7968 118.3666 61.0982 37.9276 177.9914 66 M 3.8288 7.8496 120.0040 57.6643 32.0387 178.0313 67 L 3.9143 7.8132 120.7810 58.2257 42.1928 178.8849 68 W 4.1572 8.0176 127.0236 60.5514 30.7347 178.0978 69 I 3.1292 8.0915 119.8974 64.4140 36.4784 178.3016 70 N 4.4844 8.5367 117.8965 55.8446 38.3734 177.6822 71 K 3.8685 7.8121 120.4549 59.6200 32.4414 179.3327 72 K 3.5824 7.2332 119.8795 59.1822 32.2574 178.4612 73 I 3.5547 7.7584 120.3729 64.5673 36.7630 178.1400 74 D 4.3688 8.0786 118.2690 56.4523 40.6840 177.5745 75 A 4.3478 7.2377 119.3747 52.2881 18.5605 178.3324 76 L 4.0293 7.3747 122.5370 57.0713 42.2792 177.3859 77 G 4.2705 8.3198 114.1203 45.2497 0.0000 174.5134 78 R 4.3528 7.1802 115.8233 53.8843 31.3364 175.8628 79 T 4.1387 8.0889 108.3758 60.6818 69.4464 172.7244 80 P 4.4970 0.0000 0.0000 62.6805 32.3682 175.5114 81 V 4.7634 9.1955 113.6520 58.9721 34.8919 177.3790 82 V 4.1266 8.7114 120.5566 65.1157 30.8765 178.5130 83 G 3.7045 8.2641 106.1304 47.9256 0.0000 175.2233 84 D 4.2401 8.3105 121.4003 57.3345 40.6649 178.4164 85 Y 3.9458 7.8097 116.7912 61.0223 38.0410 177.8752 86 T 3.9185 8.1907 116.8817 66.6887 68.6118 176.5966 87 R 3.9094 7.8284 120.1199 59.4515 30.1686 178.6088 88 L 4.2445 8.0146 119.0046 57.5355 41.5170 179.6900 89 G 3.5684 8.5105 106.0557 47.8118 0.0000 175.7072 90 A 4.0240 8.1664 123.2350 54.5474 18.2301 179.7160 91 E 3.8647 8.1424 117.1584 59.6839 29.4919 179.3075 92 I 3.4820 7.6569 119.9286 64.4861 36.9398 178.7814 93 G 3.6008 8.0021 104.9895 46.7008 0.0000 174.6914 94 R 4.5574 7.4537 115.3320 56.4837 30.5870 177.6925 95 R 4.1862 8.1164 118.6973 57.1497 30.6193 176.9167 96 I 3.8046 6.9118 120.3168 61.0648 36.5780 177.4078 97 D 4.5548 8.2801 126.1143 53.9609 37.5986 176.5319 98 M 3.5243 7.3608 122.6388 57.3842 32.4312 177.8717 99 A 3.6356 7.6003 120.8096 55.1427 18.4707 178.8198 100 Y 4.3008 7.7701 117.2583 60.8550 38.8657 178.0609 101 F 3.7559 7.3594 121.1552 61.3423 39.3513 176.6152 102 Y 3.9629 7.3440 116.3479 61.1808 37.4655 178.3050 103 D 4.6751 8.6484 120.0635 57.4441 40.8683 178.6943 104 F 4.0326 8.5249 121.3197 61.3084 39.2962 176.7138 105 L 3.6928 7.7822 118.4662 57.8853 41.5109 179.3824 106 K 3.8703 8.3191 119.2977 59.8913 31.9295 178.2909 107 D 4.3557 8.0377 116.8452 56.8544 41.2091 177.3256 108 K 4.1047 7.7241 116.4404 54.9959 32.4184 175.9544 109 N 4.2048 7.8839 116.6519 55.2778 37.8044 173.6937 110 M 4.8332 7.9993 112.0819 54.5033 33.3768 176.5064 111 I 3.8206 7.9440 119.6282 60.6322 37.8015 174.6454 112 P 4.3224 0.0000 0.0000 62.3678 31.7568 176.0741 113 K 3.8262 8.7121 122.9485 56.9853 32.2222 175.4520 114 Y 4.3146 8.7422 127.5552 57.2866 39.4499 174.1416 115 L 4.7085 7.4858 126.0563 51.7352 45.4791 175.4241 116 P 4.0535 0.0000 0.0000 66.3039 31.0234 178.1404 117 Y 4.0578 7.9834 117.3386 61.1763 38.5059 178.0695 118 M 3.2974 7.5398 119.3490 57.9272 31.8018 178.3405 119 E 4.0436 7.5209 120.9116 58.5746 29.5539 178.3846 120 E 3.8717 7.9741 117.3788 59.7169 29.9072 179.1124 121 I 3.9045 7.2176 119.2787 64.3522 37.3238 178.2328 122 N 4.5224 8.5002 117.2974 56.1943 38.1405 177.1883 123 R 4.2514 7.9881 117.8210 57.1538 30.6015 176.9557 124 M 4.3390 6.9877 117.9154 54.4888 32.8950 176.4205 125 R 4.0829 8.3259 119.9475 55.7491 31.2032 176.3838 126 P 4.3098 0.0000 0.0000 65.5948 31.5896 178.5272 127 A 4.0502 8.0739 119.8241 54.6835 18.3107 177.5816 128 D 4.6145 8.0975 113.8135 54.0604 41.6371 176.9766 129 V 3.5190 7.3041 119.7356 62.6256 31.6912 173.6785 130 P 4.4198 0.0000 0.0000 62.3165 32.2494 175.8223 131 V 4.1908 7.7639 113.5297 59.4028 34.2474 175.7100 132 K 4.3070 8.2097 122.9812 54.7571 31.8893 174.1044 133 Y 4.7051 7.8959 125.1525 56.1222 41.1809 174.5266 134 M 3.6782 8.2169 127.9600 57.7706 32.8745 176.2172 *135 G 3.7389 7.9751 111.2107 45.6761 0.0000 172.2929 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 5 Y 8.14 4.66 0.00 2.91 2.95 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 6 V 7.22 4.01 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 0.68 0.00 0.00 0.69 0.00 0.00 7 E 9.05 4.22 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 2.25 2.37 0.00 8 P 0.00 4.49 0.00 1.99 1.82 0.00 3.65 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 2.01 0.00 9 K 8.60 4.77 0.00 1.77 1.75 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.58 7.81 10 F 8.98 4.74 0.00 2.80 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.79 4.07 0.00 1.79 1.75 1.07 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.88 4.13 0.00 2.41 1.87 0.00 0.00 6.82 6.76 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 13 K 8.63 3.81 0.00 1.82 1.73 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.51 7.81 14 A 7.89 4.01 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 15 F 7.88 4.26 0.00 2.77 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 0.00 0.00 0.00 16 E 8.28 4.05 0.00 2.15 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 0.00 2.41 2.58 0.00 17 V 7.98 3.61 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 1.06 0.00 0.00 0.94 0.00 0.00 18 A 8.06 4.05 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 19 L 8.03 4.03 0.00 2.25 1.88 1.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 20 K 8.40 4.08 0.00 1.86 2.03 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.33 0.00 0.00 2.62 0.00 0.00 0.00 0.00 1.41 1.58 7.81 21 V 7.96 3.61 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 1.15 0.00 0.00 1.01 0.00 0.00 22 Q 7.97 3.98 0.00 2.25 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.85 0.00 23 I 8.06 3.39 1.73 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 1.23 0.84 0.10 0.00 0.00 24 I 7.97 3.71 1.98 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 1.51 0.63 0.99 0.00 0.00 25 A 8.38 4.15 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 26 G 7.93 3.61 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 0.00 0.00 0.00 27 F 8.32 4.43 0.00 3.20 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.78 4.45 0.00 3.12 2.95 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 29 R 8.64 4.10 0.00 1.98 2.15 0.00 3.14 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 30 G 8.41 3.70 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 0.00 0.00 0.00 31 L 8.05 3.89 0.00 1.55 1.61 0.16 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.96 3.66 2.34 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 1.05 0.00 0.00 1.14 0.00 0.00 33 K 8.42 4.02 0.00 2.09 1.94 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.51 1.51 7.81 34 W 8.54 4.30 0.00 3.65 3.36 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 0.00 0.00 0.00 0.00 35 L 8.85 4.09 0.00 1.98 1.77 1.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 36 R 7.70 3.87 0.00 2.01 2.20 0.00 3.25 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 37 V 6.95 3.70 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.82 0.00 0.00 38 H 7.74 4.53 0.00 1.40 2.35 0.00 5.70 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 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 40 R 7.36 3.77 0.00 1.74 1.96 0.00 3.27 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 41 T 7.76 4.43 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 1.22 0.00 0.00 42 L 7.78 4.88 0.00 1.84 1.60 1.00 0.98 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 43 S 9.17 4.50 0.00 3.99 4.03 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 0.00 0.00 0.00 44 T 8.24 3.88 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 1.15 0.00 0.00 45 V 7.66 3.33 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 0.86 0.00 0.00 0.94 0.00 0.00 46 Q 7.91 4.02 0.00 2.23 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.79 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 47 K 8.02 4.00 0.00 2.03 1.99 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.54 7.81 48 K 8.13 4.08 0.00 0.90 1.28 0.00 1.29 0.00 0.00 1.55 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.42 7.81 49 A 7.96 4.44 1.58 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 50 L 8.01 4.03 0.00 1.65 1.26 0.71 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 51 Y 8.08 3.94 0.00 3.27 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 52 F 8.66 4.49 0.00 3.36 3.47 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 53 V 8.21 3.67 2.43 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 1.18 0.00 0.00 1.25 0.00 0.00 54 N 8.04 4.41 0.00 3.09 3.11 0.00 0.00 7.08 8.98 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 55 R 7.78 3.98 0.00 1.84 1.91 0.00 3.56 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.71 0.00 56 R 7.77 3.90 0.00 1.35 1.79 0.00 3.41 0.00 0.00 3.16 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.43 0.00 57 Y 8.59 3.89 0.00 3.06 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 M 8.34 4.50 0.00 2.42 2.25 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 2.97 3.01 0.00 59 Q 8.14 4.06 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 60 T 7.98 4.29 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 1.13 0.00 0.00 61 H 7.70 4.33 0.00 2.70 2.08 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 W 7.83 4.15 0.00 3.51 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 63 A 7.90 3.51 1.43 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 0.00 0.00 0.00 64 N 7.73 4.23 0.00 2.59 2.73 0.00 0.00 7.18 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 65 Y 7.80 4.47 0.00 2.71 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 66 M 7.85 3.83 0.00 1.83 1.51 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.37 0.00 67 L 7.81 3.91 0.00 2.03 1.80 0.96 1.02 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 68 W 8.02 4.16 0.00 3.44 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 69 I 8.09 3.13 1.81 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.50 0.76 0.00 0.00 70 N 8.54 4.48 0.00 2.77 2.85 0.00 0.00 6.83 8.00 0.00 0.00 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 K 7.81 3.87 0.00 1.99 2.15 0.00 1.12 0.00 0.00 1.54 0.00 0.00 2.78 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.32 1.28 7.81 72 K 7.23 3.58 0.00 1.06 1.29 0.00 1.06 0.00 0.00 0.61 0.00 0.00 3.26 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.89 1.15 7.81 73 I 7.76 3.55 1.69 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.50 0.76 0.00 0.00 74 D 8.08 4.37 0.00 2.59 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 75 A 7.24 4.35 1.23 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 0.00 0.00 0.00 76 L 7.37 4.03 0.00 1.67 1.58 0.79 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 77 G 8.32 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 78 R 7.18 4.35 0.00 1.92 1.96 0.00 3.02 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 79 T 8.09 4.14 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 1.25 0.00 0.00 80 P 0.00 4.50 0.00 1.96 1.88 0.00 3.80 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 2.10 2.03 0.00 81 V 9.20 4.76 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 0.89 0.00 0.00 0.99 0.00 0.00 82 V 8.71 4.13 2.38 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 0.99 0.00 0.00 1.16 0.00 0.00 83 G 8.26 3.70 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 0.00 0.00 0.00 84 D 8.31 4.24 0.00 2.35 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 0.00 0.00 0.00 0.00 85 Y 7.81 3.95 0.00 3.17 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 8.19 3.92 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 1.24 0.00 0.00 87 R 7.83 3.91 0.00 1.91 2.09 0.00 3.07 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.65 0.00 88 L 8.01 4.24 0.00 1.61 1.69 0.42 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 89 G 8.51 3.57 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 0.00 0.00 0.00 90 A 8.17 4.02 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 91 E 8.14 3.86 0.00 2.29 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 2.37 2.71 0.00 92 I 7.66 3.48 1.53 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.31 0.13 0.00 0.00 93 G 8.00 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 94 R 7.45 4.56 0.00 1.92 2.05 0.00 3.06 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 1.83 1.70 0.00 95 R 8.12 4.19 0.00 1.73 1.88 0.00 3.23 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 96 I 6.91 3.80 1.77 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 1.58 1.00 0.64 0.00 0.00 97 D 8.28 4.55 0.00 2.73 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 98 M 7.36 3.52 0.00 0.89 1.48 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.58 0.00 99 A 7.60 3.64 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.77 4.30 0.00 3.15 2.98 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 0.00 101 F 7.36 3.76 0.00 2.92 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.34 3.96 0.00 1.91 1.43 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 0.00 103 D 8.65 4.68 0.00 3.04 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 0.00 104 F 8.52 4.03 0.00 2.79 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 0.00 105 L 7.78 3.69 0.00 1.80 1.65 1.02 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 106 K 8.32 3.87 0.00 2.08 2.02 0.00 1.82 0.00 0.00 1.79 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.56 7.81 107 D 8.04 4.36 0.00 2.81 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 0.00 108 K 7.72 4.10 0.00 1.22 1.49 0.00 1.50 0.00 0.00 1.39 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.92 0.21 7.81 109 N 7.88 4.20 0.00 2.77 2.80 0.00 0.00 6.87 6.96 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 0.00 110 M 8.00 4.83 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.77 0.00 111 I 7.94 3.82 1.91 0.00 0.00 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 1.43 0.47 0.97 0.00 0.00 112 P 0.00 4.32 0.00 2.21 2.15 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 113 K 8.71 3.83 0.00 1.74 1.77 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.41 7.81 114 Y 8.74 4.31 0.00 3.15 2.86 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 0.00 115 L 7.49 4.71 0.00 1.51 1.39 0.88 1.04 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 0.00 116 P 0.00 4.05 0.00 2.11 2.08 0.00 3.53 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00 117 Y 7.98 4.06 0.00 2.98 2.85 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 0.00 118 M 7.54 3.30 0.00 1.37 1.18 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.81 0.00 119 E 7.52 4.04 0.00 2.02 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 2.32 2.27 0.00 120 E 7.97 3.87 0.00 1.71 1.86 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 2.40 2.33 0.00 121 I 7.22 3.90 2.12 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.48 0.98 0.00 0.00 122 N 8.50 4.52 0.00 2.97 2.97 0.00 0.00 7.08 7.17 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 0.00 123 R 7.99 4.25 0.00 1.84 1.98 0.00 3.16 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.88 0.00 124 M 6.99 4.34 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.49 0.00 125 R 8.33 4.08 0.00 2.02 1.86 0.00 3.14 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 126 P 0.00 4.31 0.00 2.20 2.14 0.00 3.62 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 2.15 2.14 0.00 127 A 8.07 4.05 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 0.00 128 D 8.10 4.61 0.00 2.74 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 0.00 129 V 7.30 3.52 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 0.73 0.00 0.00 0.94 0.00 0.00 130 P 0.00 4.42 0.00 2.19 2.00 0.00 3.75 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 2.00 2.00 0.00 131 V 7.76 4.19 1.53 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 -0.01 0.00 0.00 0.02 0.00 0.00 132 K 8.21 4.31 0.00 1.66 1.71 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.36 7.81 133 Y 7.90 4.71 0.00 3.03 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 0.00 134 M 8.22 3.68 0.00 1.79 1.83 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 *135 G 7.98 3.74 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.