NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 G 3.9355 8.3549 109.7311 45.7167 0.0000 173.1723 0 S 4.1859 8.6437 114.2700 59.4733 63.2914 172.5697 1 M 4.7326 7.9655 121.2684 52.7010 35.4136 174.9026 2 A 3.9879 8.5255 125.7573 52.2666 19.1514 176.2299 3 L 5.0610 8.0039 122.1321 52.8242 45.1768 175.9644 4 F 4.9038 9.1729 120.7665 55.2901 42.5583 174.9971 5 S 4.6642 9.0253 118.2081 59.2454 63.4875 171.8868 6 A 4.7518 8.9203 125.2868 52.0899 18.9969 181.0423 7 Q 4.2076 9.0927 120.3768 56.7583 29.8159 175.6058 8 S 4.4890 8.1081 112.7841 56.7804 64.0773 172.2513 9 P 4.6755 0.0000 0.0000 63.3873 32.1385 175.0009 10 Y 4.7801 8.5042 119.7555 57.4438 39.2915 174.4435 11 I 4.5118 8.4023 124.8729 60.3291 39.5827 175.8967 12 N 4.2946 8.4482 124.5899 52.4002 36.5125 173.4463 13 P 4.1992 0.0000 0.0000 62.7067 32.1169 176.4961 14 I 3.9550 8.2437 123.6160 61.0331 37.8858 175.1466 15 I 4.5321 8.0095 124.9878 58.9408 38.5923 173.8038 16 P 4.7252 0.0000 0.0000 62.7644 32.2819 175.1973 17 F 4.9127 9.3393 125.7900 56.7251 41.8947 174.1604 18 T 4.6949 7.4430 121.3486 61.6889 71.6318 173.2780 19 G 3.8944 8.3403 111.6187 44.1751 0.0000 170.5118 20 P 5.0562 0.0000 0.0000 62.6824 32.7273 176.0676 21 I 4.3079 8.6859 123.8785 59.7343 38.6251 175.3185 22 Q 4.2050 9.7214 129.3147 57.2165 28.4831 177.2173 23 G 3.8441 8.7623 112.4957 44.5438 0.0000 174.0246 24 G 4.6773 8.0034 103.5137 44.7352 0.0000 173.5488 25 L 4.3259 8.3646 118.6238 55.1100 42.5146 176.7752 26 Q 4.8125 8.3320 119.3542 53.6404 32.8418 174.2870 27 E 3.9851 8.8753 121.4942 58.1250 29.9906 177.5713 28 G 3.9702 9.4706 113.8419 45.1016 0.0000 172.7876 29 L 4.5479 7.8077 122.8061 54.9234 43.7477 175.4360 30 Q 5.1276 9.7217 124.7730 54.1546 32.0435 174.4461 31 V 4.7288 9.3754 124.8060 61.5175 33.9358 174.2286 32 T 5.1084 8.5657 125.0449 61.8064 71.3654 173.1262 33 L 5.1502 9.5426 127.1225 53.0475 44.4979 175.1266 34 Q 4.7572 8.6575 125.0449 54.6560 31.5973 174.6699 35 G 3.5531 7.0920 112.6793 46.0399 0.0000 171.1269 36 T 5.1112 8.1918 116.1532 61.7897 72.7059 174.0254 37 T 4.2655 8.9305 123.7714 63.2055 69.8128 174.2700 38 K 4.2945 8.8180 127.9470 56.3672 32.9894 178.1092 39 S 3.9800 8.7378 121.0586 60.8032 62.8927 175.0058 40 F 4.6774 7.6389 117.9377 56.2922 39.7159 175.0870 41 A 3.9961 7.3902 123.0774 53.2686 18.9044 177.7895 42 Q 4.6242 8.8573 120.8781 57.4453 30.8447 175.7940 43 R 5.2442 7.7508 115.8293 54.9602 35.1715 173.5440 44 F 5.3670 8.3148 114.7514 55.6342 42.3901 173.3717 45 V 4.7577 9.1906 118.4440 61.2310 35.0253 173.8581 46 V 4.7472 8.9810 127.7252 61.1756 34.1089 173.6678 47 N 5.2763 9.1059 125.7100 51.4617 41.8691 173.5397 48 F 5.1088 9.2454 123.6725 56.0568 40.8112 174.9121 49 Q 5.0925 9.2465 121.8861 54.3176 32.7183 173.9942 50 N 4.8490 9.0121 119.4860 53.0677 39.4847 175.4796 51 S 3.9881 9.3766 123.0931 57.4292 62.8727 169.5291 52 F 4.5821 7.8892 114.2704 57.9350 38.2784 176.3876 53 N 4.3507 7.1874 117.1337 53.0362 37.6143 175.9698 54 G 3.8616 8.0422 106.4714 45.9921 0.0000 174.1627 55 N 4.2837 7.8274 118.8669 55.2192 39.9765 173.7749 56 D 5.0987 7.9994 118.1264 52.4857 43.6771 175.0424 57 I 4.6567 8.4596 125.4959 59.2005 38.8639 176.5334 58 A 4.2747 8.8150 130.3884 54.6675 19.2297 177.5230 59 F 5.0680 8.3098 118.2338 57.4845 42.7366 172.6818 60 H 5.2520 9.7777 127.7365 54.4666 31.9316 172.9549 61 F 4.6069 8.7956 128.2418 56.4871 41.9383 173.2144 62 N 5.1297 8.0737 125.0593 49.5662 40.0271 170.8162 63 P 4.1127 0.0000 0.0000 61.7947 33.3472 175.3045 64 R 4.3635 7.9410 121.8067 53.8478 33.3655 175.9099 65 F 4.6409 8.9643 128.2135 56.0209 36.6142 175.2985 66 E 4.7378 7.4171 118.9783 55.4794 34.0953 175.3657 67 E 3.9512 10.1394 117.5764 57.4982 27.2901 176.0686 68 G 3.9371 8.2184 107.4284 44.3849 0.0000 175.1723 69 G 3.8670 9.5242 108.0860 45.9417 0.0000 172.3018 70 Y 5.1349 7.9218 120.7110 56.2041 42.2599 173.4670 71 V 4.3213 8.8596 119.9421 60.9871 34.6098 174.1903 72 V 4.5631 8.2834 128.2736 61.8564 33.2098 174.1839 73 C 5.4256 8.8050 125.2461 58.3637 31.5232 172.5974 74 N 5.5388 8.6231 119.9493 54.4088 43.1200 172.6707 75 T 5.4266 8.8575 115.7954 61.6796 72.9708 173.0279 76 K 4.7787 9.1950 126.9765 54.6446 34.7725 174.7520 77 Q 4.7240 8.7920 125.8856 54.6978 32.4344 175.2612 78 N 4.1812 10.8003 122.0605 54.0606 36.8897 175.5854 79 G 3.7507 8.4352 106.4081 44.9776 0.0000 173.8415 80 Q 4.4497 7.8501 122.0529 53.8527 30.4294 174.3964 81 W 4.8405 8.6299 125.5501 56.9041 30.0030 177.0948 82 G 4.2663 9.0313 112.5964 45.0251 0.0000 170.4734 83 P 4.6945 0.0000 0.0000 62.5037 31.9349 176.5049 84 E 4.4243 8.9543 124.0007 56.4135 30.6803 176.1697 85 E 4.6610 9.3253 122.6610 54.9337 32.0773 175.1716 86 R 4.9928 8.6322 124.2827 54.3132 32.1900 175.6702 87 K 4.2262 8.7751 126.5539 54.7459 33.3692 177.1079 88 M 4.5446 8.1917 131.4976 53.0231 30.7835 175.6501 89 Q 4.4746 7.4371 117.1972 55.2827 32.5473 172.8453 90 M 4.2879 8.5434 124.6568 53.2672 32.7006 173.5429 91 P 4.2098 0.0000 0.0000 63.1780 32.1288 176.0297 92 F 4.8837 7.3984 117.3685 56.1411 41.2144 174.8076 93 Q 4.7989 8.4362 120.0637 53.6639 31.9805 175.4573 94 K 3.8091 8.5590 121.8099 58.0504 32.3651 177.5231 95 G 3.8842 8.7486 112.4406 45.2168 0.0000 172.9409 96 M 4.8061 7.6772 119.7443 52.6335 34.5125 174.1546 97 P 4.9402 0.0000 0.0000 63.2813 32.5034 175.1866 98 F 5.3362 8.7388 115.2589 55.6027 42.1671 172.4856 99 E 5.1626 9.6143 120.9300 54.3871 32.3522 174.2606 100 L 5.1859 9.6150 128.8764 53.5217 45.1074 174.3048 101 C 5.2497 9.0030 127.3945 57.5633 34.6183 172.3123 102 F 5.2060 9.6534 125.3775 55.8597 41.0191 174.1334 103 L 5.1224 9.2245 127.3296 53.2913 44.2672 175.3274 104 V 3.9150 8.7544 127.4296 62.4655 32.1308 175.0837 105 Q 4.6364 8.5212 127.1301 53.7481 31.8261 176.9162 106 R 3.8698 8.7458 119.9269 59.7478 30.0143 177.3775 107 S 4.6976 7.9104 111.4865 58.8644 64.1407 173.0888 108 E 4.7564 7.2874 117.7364 55.0509 33.2340 174.3567 109 F 4.9455 9.0339 119.7144 56.9877 40.8976 174.9594 110 K 5.0817 9.3658 121.9364 54.6761 35.1676 175.1870 111 V 4.6758 8.8928 124.8670 61.4220 33.8227 174.0409 112 M 5.1048 8.8771 127.8996 53.5819 35.0228 175.0965 113 V 4.5453 8.4420 122.2149 61.5306 34.5710 175.3784 114 N 3.9842 10.2030 126.3624 54.4141 36.6179 175.5100 115 K 4.1775 8.4314 115.6878 56.0872 30.7642 176.8220 116 K 4.6253 7.6351 118.8060 53.8186 33.9501 175.5740 117 F 4.3781 8.9201 124.8268 59.2741 39.8286 173.3083 118 F 4.8313 8.2499 129.0187 59.2277 41.1274 175.5200 119 V 4.0340 6.4713 115.9101 60.2431 34.3606 172.3982 120 Q 5.2570 8.7585 123.4606 54.9423 31.6603 174.1795 121 Y 4.6285 8.8318 125.0462 55.8037 41.9084 174.2993 122 Q 4.2501 8.3034 126.4030 55.7340 29.6341 176.2400 123 H 4.4210 8.5363 121.6170 56.4807 29.2418 175.5795 124 R 4.4196 8.8396 122.3929 56.7144 31.4084 176.5609 125 V 4.5747 7.4816 108.4469 58.1456 35.4540 173.3929 126 P 4.1809 0.0000 0.0000 62.8587 31.6612 177.6053 127 Y 4.3842 8.0772 121.9098 59.8311 38.3350 177.6790 128 H 4.7424 7.4106 114.4887 57.5341 28.7173 176.1468 129 L 4.0771 7.0249 117.3001 55.7185 41.9751 176.9995 130 V 4.1001 7.9304 121.1166 62.7627 31.7919 175.2850 131 D 5.1791 8.9603 124.7280 53.1654 41.3120 175.0608 132 T 5.2066 7.9359 114.9936 62.4962 73.3816 172.2111 133 I 4.7992 9.0461 125.6844 59.0651 41.1898 173.9312 134 A 5.1058 8.9437 130.4221 50.1159 22.0323 174.7728 135 V 5.0332 9.1042 123.3884 61.2009 34.4713 174.7054 136 S 4.7337 9.2612 121.2075 57.7142 66.9597 173.4306 137 G 3.9883 8.7645 104.8095 44.6859 0.0000 173.3930 138 C 4.6868 8.4145 113.6872 58.8748 26.4269 172.2059 139 L 5.3034 7.3875 118.3326 54.0367 44.3468 176.8168 140 K 4.7494 8.9051 117.6291 55.0910 36.4071 175.0556 141 L 5.0167 8.0412 119.2422 53.2816 45.6207 177.2396 142 S 4.1403 9.1080 116.9517 59.4854 65.2635 173.9848 143 F 5.4039 7.6655 116.6660 55.8939 43.8956 173.4934 144 I 5.0354 8.9766 122.7119 59.8679 39.8733 174.9906 145 T 4.8825 8.7811 117.4302 59.8418 72.3608 173.2755 146 F 5.3757 8.5963 119.8446 56.0947 42.6095 174.0755 147 Q 5.1673 9.3215 121.6834 54.5581 33.6962 173.9511 148 T 5.3316 9.3019 115.5557 60.4818 70.6452 174.5128 149 Q 4.7263 8.5480 124.6792 57.2589 29.6319 175.8562 150 N 4.5441 8.3384 121.4586 53.2727 39.1625 175.7482 *151 F 3.6716 8.5450 120.5663 56.7320 38.1210 171.7480 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 -1 G 8.35 3.94 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 0.00 0 S 8.64 4.19 0.00 3.96 3.93 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 1 M 7.97 4.73 0.00 1.97 1.93 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.44 0.00 2 A 8.53 3.99 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 3 L 8.00 5.06 0.00 1.40 1.52 1.02 0.84 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 4 F 9.17 4.90 0.00 2.91 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 5 S 9.03 4.66 0.00 3.82 3.87 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 6 A 8.92 4.75 1.12 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 0.00 0.00 7 Q 9.09 4.21 0.00 2.08 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.95 0.00 0.00 0.00 0.00 0.00 1.79 1.90 0.00 8 S 8.11 4.49 0.00 4.01 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 9 P 0.00 4.68 0.00 2.24 2.14 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 10 Y 8.50 4.78 0.00 2.86 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 11 I 8.40 4.51 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.81 0.79 0.00 0.00 12 N 8.45 4.29 0.00 2.60 2.78 0.00 0.00 6.97 7.66 0.00 0.00 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 P 0.00 4.20 0.00 1.37 1.08 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.56 0.00 14 I 8.24 3.95 1.90 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 1.41 0.81 0.91 0.00 0.00 15 I 8.01 4.53 1.86 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 1.43 0.91 0.97 0.00 0.00 16 P 0.00 4.73 0.00 2.08 2.07 0.00 3.73 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 17 F 9.34 4.91 0.00 3.26 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 18 T 7.44 4.69 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 1.10 0.00 0.00 19 G 8.34 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 20 P 0.00 5.06 0.00 2.15 2.11 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.07 0.00 21 I 8.69 4.31 2.04 0.00 0.00 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 1.69 0.90 1.08 0.00 0.00 22 Q 9.72 4.20 0.00 1.95 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.38 2.24 0.00 23 G 8.76 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 24 G 8.00 4.68 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 25 L 8.36 4.33 0.00 2.21 1.74 1.19 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.33 4.81 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 7.02 0.00 0.00 0.00 0.00 0.00 2.65 2.33 0.00 27 E 8.88 3.99 0.00 1.96 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 2.28 2.25 0.00 28 G 9.47 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 0.00 0.00 0.00 29 L 7.81 4.55 0.00 1.94 1.73 1.16 0.87 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 30 Q 9.72 5.13 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.53 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 31 V 9.38 4.73 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 0.86 0.00 0.00 1.27 0.00 0.00 32 T 8.57 5.11 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 1.23 0.00 0.00 33 L 9.54 5.15 0.00 1.85 1.72 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 34 Q 8.66 4.76 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.45 0.00 0.00 0.00 0.00 0.00 2.33 2.24 0.00 35 G 7.09 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 0.00 0.00 0.00 36 T 8.19 5.11 4.15 0.00 0.00 0.00 0.00 0.00 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 37 T 8.93 4.27 4.55 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 1.16 0.00 0.00 38 K 8.82 4.29 0.00 1.78 1.73 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.59 7.81 39 S 8.74 3.98 0.00 3.73 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 40 F 7.64 4.68 0.00 2.97 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 41 A 7.39 4.00 0.98 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 42 Q 8.86 4.62 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 43 R 7.75 5.24 0.00 1.69 1.63 0.00 3.03 0.00 0.00 3.27 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 44 F 8.31 5.37 0.00 3.13 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 45 V 9.19 4.76 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 1.03 0.00 0.00 0.93 0.00 0.00 46 V 8.98 4.75 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 0.44 0.00 0.00 1.18 0.00 0.00 47 N 9.11 5.28 0.00 2.72 2.77 0.00 0.00 6.47 8.02 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 48 F 9.25 5.11 0.00 3.00 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 9.25 5.09 0.00 2.24 2.18 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 2.23 2.47 0.00 50 N 9.01 4.85 0.00 2.81 2.78 0.00 0.00 7.17 7.36 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 51 S 9.38 3.99 0.00 3.92 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 0.00 52 F 7.89 4.58 0.00 3.15 3.18 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 0.00 53 N 7.19 4.35 0.00 2.72 2.48 0.00 0.00 6.08 7.00 0.00 0.00 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 G 8.04 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 55 N 7.83 4.28 0.00 2.59 2.75 0.00 0.00 6.82 8.08 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 56 D 8.00 5.10 0.00 2.49 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 57 I 8.46 4.66 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.78 1.15 0.00 0.00 58 A 8.82 4.27 1.59 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 0.00 0.00 59 F 8.31 5.07 0.00 2.75 2.56 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 60 H 9.78 5.25 0.00 3.60 3.60 0.00 5.77 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 8.80 4.61 0.00 2.36 2.77 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 62 N 8.07 5.13 0.00 2.28 2.35 0.00 0.00 7.07 7.22 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 63 P 0.00 4.11 0.00 0.80 1.21 0.00 2.59 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.25 0.00 64 R 7.94 4.36 0.00 0.67 1.23 0.00 2.37 0.00 0.00 2.87 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.23 0.00 65 F 8.96 4.64 0.00 3.05 3.03 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 66 E 7.42 4.74 0.00 1.97 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 2.32 2.32 0.00 67 E 10.14 3.95 0.00 2.15 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 2.29 2.42 0.00 68 G 8.22 3.94 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 0.00 69 G 9.52 3.87 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 0.00 0.00 0.00 70 Y 7.92 5.13 0.00 3.19 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 71 V 8.86 4.32 2.26 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 0.29 0.00 0.00 0.77 0.00 0.00 72 V 8.28 4.56 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 0.80 0.00 0.00 0.97 0.00 0.00 73 C 8.81 5.43 0.00 3.13 2.77 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 74 N 8.62 5.54 0.00 2.78 2.75 0.00 0.00 6.83 7.35 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 75 T 8.86 5.43 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 76 K 9.20 4.78 0.00 0.79 1.14 0.00 1.33 0.00 0.00 1.17 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.87 0.21 7.81 77 Q 8.79 4.72 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 5.96 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 78 N 10.80 4.18 0.00 2.70 2.82 0.00 0.00 7.28 7.58 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 79 G 8.44 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 0.00 0.00 0.00 80 Q 7.85 4.45 0.00 2.17 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.38 0.00 81 W 8.63 4.84 0.00 3.27 3.08 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 0.00 82 G 9.03 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 83 P 0.00 4.69 0.00 2.14 2.13 0.00 3.88 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 84 E 8.95 4.42 0.00 1.89 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 2.23 2.31 0.00 85 E 9.33 4.66 0.00 2.14 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 0.00 2.29 2.41 0.00 86 R 8.63 4.99 0.00 1.64 1.86 0.00 3.08 0.00 0.00 2.84 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 87 K 8.78 4.23 0.00 1.71 1.59 0.00 1.38 0.00 0.00 1.33 0.00 0.00 2.82 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.51 1.35 7.81 88 M 8.19 4.54 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 89 Q 7.44 4.47 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.87 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 90 M 8.54 4.29 0.00 1.91 1.68 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.26 0.00 91 P 0.00 4.21 0.00 1.26 1.45 0.00 3.29 0.00 0.00 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 92 F 7.40 4.88 0.00 3.23 3.18 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 0.00 93 Q 8.44 4.80 0.00 2.17 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 7.07 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 94 K 8.56 3.81 0.00 1.51 1.59 0.00 1.49 0.00 0.00 1.38 0.00 0.00 2.70 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.55 0.99 7.81 95 G 8.75 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 0.00 0.00 0.00 0.00 96 M 7.68 4.81 0.00 2.02 2.16 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 2.56 2.77 0.00 97 P 0.00 4.94 0.00 2.03 1.99 0.00 3.76 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 2.00 1.95 0.00 98 F 8.74 5.34 0.00 3.33 3.42 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 99 E 9.61 5.16 0.00 2.07 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 2.24 2.24 0.00 100 L 9.62 5.19 0.00 2.04 1.85 0.26 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 101 C 9.00 5.25 0.00 3.00 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 0.00 102 F 9.65 5.21 0.00 3.05 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 0.00 103 L 9.22 5.12 0.00 1.79 1.74 0.99 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 104 V 8.75 3.92 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 0.02 0.00 0.00 0.85 0.00 0.00 105 Q 8.52 4.64 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.23 0.00 106 R 8.75 3.87 0.00 1.89 1.99 0.00 3.37 0.00 0.00 3.61 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 107 S 7.91 4.70 0.00 3.90 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 0.00 108 E 7.29 4.76 0.00 2.20 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 2.16 2.54 0.00 109 F 9.03 4.95 0.00 2.84 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 0.00 110 K 9.37 5.08 0.00 1.80 1.98 0.00 1.79 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.55 7.81 111 V 8.89 4.68 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 0.43 0.00 0.00 1.18 0.00 0.00 112 M 8.88 5.10 0.00 1.97 1.92 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 113 V 8.44 4.55 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.46 0.00 0.00 114 N 10.20 3.98 0.00 2.77 2.85 0.00 0.00 7.24 7.58 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 0.00 115 K 8.43 4.18 0.00 1.92 2.11 0.00 1.74 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.31 1.39 7.81 116 K 7.64 4.63 0.00 1.84 1.76 0.00 1.71 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.51 7.81 117 F 8.92 4.38 0.00 2.98 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 0.00 118 F 8.25 4.83 0.00 2.75 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 0.00 119 V 6.47 4.03 1.34 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 0.99 0.00 0.00 0.69 0.00 0.00 120 Q 8.76 5.26 0.00 2.44 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.71 0.00 121 Y 8.83 4.63 0.00 2.82 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 8.30 4.25 0.00 1.75 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.25 0.00 123 H 8.54 4.42 0.00 3.24 3.52 0.00 5.63 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 8.84 4.42 0.00 1.92 2.04 0.00 3.33 0.00 0.00 3.31 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 125 V 7.48 4.57 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 0.81 0.00 0.00 1.07 0.00 0.00 126 P 0.00 4.18 0.00 1.98 1.86 0.00 3.58 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.03 0.00 127 Y 8.08 4.38 0.00 3.06 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 0.00 128 H 7.41 4.74 0.00 3.25 3.25 0.00 5.13 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.02 4.08 0.00 1.79 1.71 0.85 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.93 4.10 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 1.21 0.00 0.00 131 D 8.96 5.18 0.00 2.88 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 0.00 132 T 7.94 5.21 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 1.25 0.00 0.00 133 I 9.05 4.80 1.94 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.99 1.33 0.00 0.00 134 A 8.94 5.11 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 V 9.10 5.03 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 1.14 0.00 0.00 0.99 0.00 0.00 136 S 9.26 4.73 0.00 3.92 3.93 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 0.00 137 G 8.76 3.99 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 0.00 0.00 0.00 138 C 8.41 4.69 0.00 3.08 2.92 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 0.00 139 L 7.39 5.30 0.00 1.49 0.93 0.46 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 140 K 8.91 4.75 0.00 1.69 1.83 0.00 1.16 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.21 1.25 7.81 141 L 8.04 5.02 0.00 1.39 1.37 0.85 0.59 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 0.00 142 S 9.11 4.14 0.00 3.22 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 7.67 5.40 0.00 2.98 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 0.00 144 I 8.98 5.04 2.04 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 1.28 0.63 0.66 0.00 0.00 145 T 8.78 4.88 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 1.12 0.00 0.00 146 F 8.60 5.38 0.00 2.95 3.03 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 0.00 147 Q 9.32 5.17 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 148 T 9.30 5.33 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 1.45 0.00 0.00 149 Q 8.55 4.73 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.63 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 150 N 8.34 4.54 0.00 2.77 2.80 0.00 0.00 6.85 6.89 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 *151 F 8.54 3.67 0.00 2.30 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.