NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 S 4.5280 8.3349 116.8085 58.6385 64.5553 172.9547 1 L 4.3991 8.3113 120.6646 55.1787 43.5359 175.2135 2 I 5.1576 8.4889 118.7987 59.3175 41.5263 174.4188 3 R 4.6697 9.2130 127.6997 54.3285 33.8789 174.0256 4 I 4.8060 8.3346 122.8619 59.4049 40.5857 174.3493 5 G 4.4097 9.1011 114.8285 44.8892 0.0000 170.7077 6 H 5.5205 8.8494 120.3992 54.1350 33.2482 172.7144 7 G 4.3168 9.1246 111.3625 44.5001 0.0000 171.1330 8 F 5.5194 8.7169 124.4784 56.5037 42.4739 172.8908 9 D 4.5738 8.0255 123.8955 52.9345 45.4075 173.6680 10 V 4.5190 7.7829 119.7829 61.5081 35.0879 173.2557 11 H 4.7035 8.9424 126.0803 54.1945 32.3428 172.1674 12 A 4.1854 8.0014 127.8572 51.0009 19.4815 176.8814 13 F 4.6840 8.1537 120.8085 57.8624 39.7014 175.2570 14 G 4.5198 8.6817 107.9188 45.0140 0.0000 171.3254 15 E 5.0609 9.3467 119.0837 54.4676 33.6708 173.9378 16 D 5.5552 8.6313 118.8218 52.8231 44.4937 175.6038 17 R 4.8105 8.8855 121.0565 54.4345 34.0225 172.0101 18 P 5.1404 0.0000 0.0000 62.2444 32.8262 174.9694 19 L 4.8970 9.1679 121.8040 53.0641 46.3804 175.5913 20 I 4.8550 8.3354 121.1123 59.9766 38.7911 175.3220 21 I 4.4170 8.8272 128.8720 60.4162 39.7502 176.4015 22 G 4.0007 9.8364 112.1660 46.5651 0.0000 174.2186 23 G 3.9011 8.5248 104.7468 45.0316 0.0000 173.9310 24 V 4.4823 7.8711 119.7005 60.6145 34.7350 174.1215 25 E 4.8578 8.7377 127.8560 55.9632 30.5402 175.8591 26 V 4.7488 8.9441 119.4346 58.9848 36.5873 172.6085 27 P 4.8962 0.0000 0.0000 62.5326 32.7509 174.5739 28 Y 4.6563 9.4755 124.5003 56.0484 41.5010 173.3532 29 H 5.3047 8.2248 126.2919 54.9116 31.8235 173.7063 30 T 4.3977 9.0802 122.1304 63.1066 71.3786 175.0361 31 G 3.7976 8.7093 111.7021 44.0178 0.0000 172.3295 32 F 4.0436 8.4499 120.2849 57.8744 39.7094 175.1545 33 I 3.4853 7.3394 128.1305 61.1621 37.2402 175.8858 34 A 4.2972 8.2329 128.8282 52.9939 18.7454 177.1455 35 H 4.8988 8.6550 113.7016 55.7269 30.5950 172.8724 36 S 4.5083 7.5565 113.5259 58.6143 64.8184 174.3885 37 D 4.4909 8.7923 119.1331 53.4555 39.4273 177.0157 38 G 3.5278 8.0658 107.7066 46.0952 0.0000 174.2654 39 D 4.4921 7.9425 120.8017 53.3358 39.7918 177.0426 40 V 3.8170 8.0496 126.9116 63.8039 31.6643 178.1439 41 A 3.8886 7.9438 121.5040 55.3188 18.4881 179.4588 42 L 4.0013 8.2694 117.3637 58.0150 41.6379 179.5882 43 H 4.0636 8.1890 115.6787 58.8756 28.6796 177.7094 44 A 3.9838 7.9513 122.5287 54.9265 18.0977 179.4065 45 L 3.8807 8.0061 118.8729 58.6135 42.1484 179.2725 46 T 3.8501 8.4529 115.9467 66.9418 68.3153 176.3712 47 D 4.3430 8.2915 120.4070 57.0740 40.7680 178.7684 48 A 4.1098 8.0801 121.5906 55.0389 18.3624 179.7858 49 I 3.6410 7.9795 118.4743 64.5755 37.2521 178.6653 50 L 4.0845 8.1197 119.9691 57.8351 41.5125 179.8986 51 G 3.6318 8.4473 105.7098 47.6776 0.0000 175.6215 52 A 4.3464 8.1781 123.3788 54.2317 18.5293 178.7996 53 A 3.9947 7.5892 115.3468 51.4358 18.9095 176.9930 54 A 3.6845 7.5413 119.1010 53.4703 16.5747 177.9185 55 L 4.5921 8.4927 117.1012 56.0045 43.6924 179.6779 56 G 3.7439 10.2153 112.7849 45.7360 0.0000 175.6053 57 D 4.4741 8.7107 123.0801 52.2425 42.6154 176.5336 58 I 3.6370 9.1551 119.5415 63.8734 37.9147 178.0211 59 G 3.6717 8.9825 109.2333 48.1867 0.0000 174.1354 60 K 4.4620 7.7972 117.8117 56.3515 31.9317 177.8834 61 L 3.9160 7.5159 120.7663 56.7141 41.7740 177.3912 62 F 5.0921 7.5256 115.7272 55.2420 42.7486 172.6708 63 P 4.3230 0.0000 0.0000 64.8427 31.2274 176.5537 *71 N 4.6177 7.9830 116.3821 53.1727 40.5552 173.8538 72 A 4.4237 7.9207 118.4597 54.5356 20.3961 176.9883 73 D 4.5629 7.8968 116.7313 54.3331 41.7845 176.9547 74 S 4.2888 9.0717 123.8877 61.8055 62.8050 176.7386 75 R 4.0738 8.2196 120.4421 59.2963 29.6762 179.0535 76 G 3.6859 8.0530 105.2784 47.9532 0.0000 175.7591 77 L 4.0429 7.5850 120.5147 57.1266 41.5006 179.3719 78 L 3.9363 8.4825 120.5871 58.2699 42.1033 179.2251 79 R 4.0222 8.4131 118.3225 59.3466 30.1477 178.5331 80 E 3.9229 8.5211 119.0382 59.4161 29.0948 178.8047 81 A 3.9673 8.4382 121.1124 55.0784 18.4437 179.4235 82 F 4.2618 8.5826 119.6443 61.2290 39.4979 177.2275 83 R 3.6699 8.6120 118.7656 59.6556 29.5762 178.4334 84 Q 4.8752 7.8938 117.8294 57.5652 28.6454 178.5069 85 V 3.9618 7.1812 119.3181 65.4812 31.5704 177.8934 86 Q 4.0341 7.5303 119.1695 58.4628 28.5295 178.3180 87 E 3.8259 7.8899 119.3824 59.4320 29.2592 178.8008 88 K 4.2451 7.2689 115.7244 55.9203 32.3192 177.2263 89 G 3.6405 8.6330 108.3000 46.2330 0.0000 172.6127 90 Y 5.3347 7.7828 116.4311 55.8354 40.7895 174.8918 91 K 4.8249 9.5059 123.1694 54.5345 36.5010 174.7360 92 I 4.2535 8.5693 124.1749 61.2491 37.4782 176.1147 93 G 3.9435 9.4445 116.0584 46.9175 0.0000 173.3163 94 N 4.7920 7.3371 115.9424 51.5853 40.1176 173.0263 95 V 4.9137 8.5678 113.9577 59.6425 35.9848 174.0783 96 D 5.2086 9.0534 123.2884 52.5653 44.1460 174.3092 97 I 4.9754 8.9001 126.6041 59.7684 40.9119 174.6698 98 T 4.8405 9.3603 123.7769 61.8245 71.0674 173.3380 99 I 4.3377 8.7045 129.3410 60.6842 38.6916 175.5653 100 I 4.8513 8.4561 129.2409 60.2179 37.9925 174.7503 101 A 4.8070 8.7909 128.2693 50.3256 22.3579 176.6035 102 Q 4.2169 8.4671 123.0508 54.1538 27.6516 174.3682 103 A 4.7825 7.4125 122.0055 50.1999 23.0225 173.8145 104 P 4.7172 0.0000 0.0000 65.0431 33.1015 177.3886 105 K 4.1861 7.7678 122.1736 54.2704 28.8626 177.5034 *107 R 4.4579 8.1133 124.8562 55.5298 32.0193 176.0155 108 P 4.2642 0.0000 0.0000 65.6246 31.0585 176.9454 109 H 4.6390 7.9868 112.9272 56.1725 29.3673 176.9182 110 I 3.7527 7.3825 120.1187 64.6351 37.2709 177.2625 111 D 4.4243 8.2014 119.2421 57.3540 41.0954 178.9579 112 A 4.3018 7.6979 118.3749 52.9296 18.0123 179.3307 *114 R 4.1590 8.2079 119.2401 57.8442 32.2921 177.7981 115 A 3.9521 8.1671 119.4575 55.4402 18.4414 179.8569 116 K 3.9309 7.9474 116.4644 59.6400 32.1337 179.7857 117 I 3.7209 7.5865 119.4538 64.2031 37.1881 178.0173 118 A 3.9340 8.5744 121.9985 54.9508 18.1183 179.4003 119 E 3.7783 8.1520 117.7823 59.6943 29.6440 178.9025 120 D 4.4611 7.7733 116.4441 56.2246 40.8956 177.6163 121 L 3.2839 7.2245 117.0592 52.8710 42.1526 176.0295 122 Q 3.3734 7.4438 116.8040 56.7562 27.0106 172.8171 123 C 4.8584 7.4604 112.0529 56.0527 32.5872 172.3441 124 D 4.6245 9.2180 118.7988 53.2853 41.8038 177.2327 125 I 3.7966 8.2407 124.4961 63.7316 38.1171 176.9747 126 E 4.1883 8.3377 119.2924 57.6867 29.6357 176.7335 127 Q 4.4261 8.6102 116.9607 56.2650 29.3898 174.6285 128 V 4.7783 7.5817 118.2976 60.9306 33.9026 174.0896 129 N 5.0810 9.1885 126.6472 51.7404 41.8329 173.1863 130 V 4.9261 8.3871 124.8003 61.0597 34.3258 174.3134 131 K 4.8814 9.2857 126.3362 54.9687 36.4494 174.7574 132 A 5.1216 8.4399 121.4268 50.6076 21.7062 175.1925 133 T 4.8320 9.2841 116.6776 60.5559 71.7960 172.1593 134 T 5.1176 8.4379 113.9030 59.7597 72.3577 173.5238 135 T 4.3301 8.2685 108.5346 60.7514 69.5058 174.5179 136 E 3.7115 8.6709 118.7156 58.2777 27.1861 175.3876 137 K 4.0505 8.6323 112.5864 56.9568 31.3925 176.4417 138 L 4.4726 7.5793 119.4893 53.8134 43.6923 177.5497 139 G 4.2757 8.4374 110.7600 44.3018 0.0000 174.5631 140 F 4.4875 8.5246 111.9959 59.1373 38.2015 177.6474 141 T 4.5270 6.5788 111.0099 63.3906 69.2220 177.0487 142 G 3.8847 7.7309 109.7006 47.8982 0.0000 174.2539 143 R 4.2816 8.3233 116.7565 55.5466 30.0616 176.1944 144 Q 3.7145 7.6862 115.8634 57.2412 26.9738 174.3941 145 E 4.4368 8.7539 117.3013 56.6480 30.3938 176.6503 146 G 2.8621 6.8803 106.0345 45.0319 0.0000 171.3293 147 I 4.7978 7.2363 111.0626 59.1363 41.3998 174.4766 148 A 5.2669 8.2128 125.2156 50.8346 23.1460 174.2293 149 C 5.0184 7.8109 114.2886 58.8530 35.7039 172.4112 150 E 5.3740 9.3390 127.2047 54.5443 32.3295 174.3810 151 A 5.2617 9.0965 126.8708 50.5709 23.3561 175.2980 152 V 5.0120 8.8168 112.2240 59.6406 36.1681 174.7038 153 A 5.1146 9.1022 125.0803 50.0426 23.2339 174.5862 154 L 4.9900 8.5883 121.7424 53.3371 44.9023 175.2585 155 L 5.1987 9.2701 127.7110 53.2366 44.0823 175.7115 156 I 5.1878 8.7689 115.8143 58.7505 41.1671 174.9499 157 R 4.3486 8.5913 123.9552 56.9107 30.5322 176.5709 158 Q 4.2423 8.7552 124.6222 56.2763 28.6922 175.2453 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 S 8.33 4.53 0.00 4.09 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 1 L 8.31 4.40 0.00 1.71 1.73 0.94 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 2 I 8.49 5.16 1.90 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 1.35 1.00 0.93 0.00 0.00 3 R 9.21 4.67 0.00 1.30 1.68 0.00 3.28 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.94 0.00 4 I 8.33 4.81 1.85 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 1.27 1.44 0.90 0.00 0.00 5 G 9.10 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 0.00 0.00 0.00 0.00 6 H 8.85 5.52 0.00 3.13 3.12 0.00 5.68 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 7 G 9.12 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 0.00 0.00 0.00 0.00 8 F 8.72 5.52 0.00 3.02 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 9 D 8.03 4.57 0.00 2.63 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 0.00 0.00 0.00 0.00 10 V 7.78 4.52 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.76 0.00 0.00 11 H 8.94 4.70 0.00 3.16 3.01 0.00 5.82 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 12 A 8.00 4.19 0.91 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 13 F 8.15 4.68 0.00 3.01 2.89 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 14 G 8.68 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 0.00 0.00 0.00 0.00 15 E 9.35 5.06 0.00 1.95 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 2.19 2.42 0.00 16 D 8.63 5.56 0.00 2.58 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 0.00 0.00 0.00 0.00 17 R 8.89 4.81 0.00 1.91 1.82 0.00 3.09 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 18 P 0.00 5.14 0.00 2.13 2.05 0.00 3.78 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 1.97 2.00 0.00 19 L 9.17 4.90 0.00 1.54 1.52 0.65 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 20 I 8.34 4.85 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 1.34 0.58 0.91 0.00 0.00 21 I 8.83 4.42 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.04 0.92 0.00 0.00 22 G 9.84 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.52 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 24 V 7.87 4.48 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 0.87 0.00 0.00 0.93 0.00 0.00 25 E 8.74 4.86 0.00 2.03 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 2.29 2.35 0.00 26 V 8.94 4.75 2.12 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 0.75 0.00 0.00 0.99 0.00 0.00 27 P 0.00 4.90 0.00 2.09 2.07 0.00 3.73 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 1.98 1.96 0.00 28 Y 9.48 4.66 0.00 2.98 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 29 H 8.22 5.30 0.00 3.13 2.98 0.00 5.93 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 30 T 9.08 4.40 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 31 G 8.71 3.80 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 0.00 0.00 0.00 32 F 8.45 4.04 0.00 2.95 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 33 I 7.34 3.49 1.39 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.64 0.74 0.00 0.00 34 A 8.23 4.30 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 H 8.66 4.90 0.00 3.25 3.33 0.00 5.59 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.56 4.51 0.00 3.92 3.78 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 37 D 8.79 4.49 0.00 2.79 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 38 G 8.07 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 7.94 4.49 0.00 2.72 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 40 V 8.05 3.82 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 0.77 0.00 0.00 0.83 0.00 0.00 41 A 7.94 3.89 1.36 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 0.00 0.00 42 L 8.27 4.00 0.00 1.76 1.75 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 43 H 8.19 4.06 0.00 3.32 3.32 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 A 7.95 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.01 3.88 0.00 1.86 1.83 0.91 0.59 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 46 T 8.45 3.85 4.35 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 1.17 0.00 0.00 47 D 8.29 4.34 0.00 2.84 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 48 A 8.08 4.11 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 49 I 7.98 3.64 2.03 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 1.55 1.32 1.00 0.00 0.00 50 L 8.12 4.08 0.00 1.67 1.70 0.89 0.83 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 51 G 8.45 3.63 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 0.00 0.00 0.00 52 A 8.18 4.35 1.27 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 53 A 7.59 3.99 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 54 A 7.54 3.68 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 55 L 8.49 4.59 0.00 1.68 1.66 0.97 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 56 G 10.22 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 57 D 8.71 4.47 0.00 3.08 2.76 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 58 I 9.16 3.64 1.87 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 1.23 0.86 0.00 0.00 59 G 8.98 3.67 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 0.00 0.00 0.00 60 K 7.80 4.46 0.00 1.74 1.80 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.39 7.81 61 L 7.52 3.92 0.00 1.56 1.01 0.86 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 62 F 7.53 5.09 0.00 3.03 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 63 P 0.00 4.32 0.00 2.22 2.22 0.00 4.11 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 2.07 2.04 0.00 *71 N 7.98 4.62 0.00 2.55 2.86 0.00 0.00 6.90 7.96 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 72 A 7.92 4.42 1.27 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 73 D 7.90 4.56 0.00 2.78 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 9.07 4.29 0.00 3.98 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 75 R 8.22 4.07 0.00 2.08 2.10 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 76 G 8.05 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 0.00 0.00 0.00 77 L 7.59 4.04 0.00 1.94 1.72 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.48 3.94 0.00 1.71 1.86 0.93 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.41 4.02 0.00 2.04 2.06 0.00 3.24 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.97 0.00 80 E 8.52 3.92 0.00 2.10 2.15 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 1.77 2.16 0.00 81 A 8.44 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 82 F 8.58 4.26 0.00 3.03 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.61 3.67 0.00 1.99 2.04 0.00 3.14 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 84 Q 7.89 4.88 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.26 0.00 85 V 7.18 3.96 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 1.15 0.00 0.00 1.01 0.00 0.00 86 Q 7.53 4.03 0.00 2.08 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 87 E 7.89 3.83 0.00 2.16 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 2.29 2.47 0.00 88 K 7.27 4.25 0.00 1.95 1.80 0.00 1.78 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.63 7.81 89 G 8.63 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 90 Y 7.78 5.33 0.00 3.20 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 91 K 9.51 4.82 0.00 1.84 1.85 0.00 1.69 0.00 0.00 1.90 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.53 7.81 92 I 8.57 4.25 1.87 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.56 0.91 0.00 0.00 93 G 9.44 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 94 N 7.34 4.79 0.00 2.81 2.86 0.00 0.00 5.84 7.68 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 95 V 8.57 4.91 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 0.69 0.00 0.00 0.90 0.00 0.00 96 D 9.05 5.21 0.00 2.70 2.47 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 97 I 8.90 4.98 1.87 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 1.22 0.69 0.91 0.00 0.00 98 T 9.36 4.84 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 1.23 0.00 0.00 99 I 8.70 4.34 1.88 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 1.23 0.65 0.92 0.00 0.00 100 I 8.46 4.85 1.88 0.00 0.00 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 1.18 0.93 0.86 0.00 0.00 101 A 8.79 4.81 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 Q 8.47 4.22 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.72 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 103 A 7.41 4.78 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 0.00 104 P 0.00 4.72 0.00 2.15 2.13 0.00 3.79 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 105 K 7.77 4.19 0.00 1.80 1.69 0.00 1.84 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.00 7.81 *107 R 8.11 4.46 0.00 1.90 1.98 0.00 3.20 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 108 P 0.00 4.26 0.00 1.87 2.00 0.00 3.69 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 1.97 2.07 0.00 109 H 7.99 4.64 0.00 3.20 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 I 7.38 3.75 1.87 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 1.36 0.74 0.97 0.00 0.00 111 D 8.20 4.42 0.00 2.74 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 0.00 112 A 7.70 4.30 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 *114 R 8.21 4.16 0.00 2.05 2.01 0.00 3.14 0.00 0.00 3.47 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.87 0.00 115 A 8.17 3.95 1.35 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 0.00 0.00 116 K 7.95 3.93 0.00 1.84 1.87 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.65 7.81 117 I 7.59 3.72 1.97 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 1.55 1.03 0.86 0.00 0.00 118 A 8.57 3.93 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 0.00 119 E 8.15 3.78 0.00 2.04 2.12 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 2.29 2.34 0.00 120 D 7.77 4.46 0.00 2.66 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 0.00 121 L 7.22 3.28 0.00 1.43 1.20 0.81 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 122 Q 7.44 3.37 0.00 2.24 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.64 0.00 0.00 0.00 0.00 0.00 2.35 2.27 0.00 123 C 7.46 4.86 0.00 3.29 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 0.00 124 D 9.22 4.62 0.00 2.72 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 0.00 125 I 8.24 3.80 1.86 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 1.29 1.17 0.90 0.00 0.00 126 E 8.34 4.19 0.00 2.05 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 0.00 2.32 2.42 0.00 127 Q 8.61 4.43 0.00 2.28 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.53 0.00 0.00 0.00 0.00 0.00 2.40 2.27 0.00 128 V 7.58 4.78 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 0.89 0.00 0.00 129 N 9.19 5.08 0.00 2.83 2.76 0.00 0.00 6.15 8.56 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 0.00 130 V 8.39 4.93 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 0.90 0.00 0.00 0.93 0.00 0.00 131 K 9.29 4.88 0.00 1.81 1.85 0.00 1.31 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.51 1.36 7.81 132 A 8.44 5.12 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 T 9.28 4.83 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 134 T 8.44 5.12 4.42 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 1.24 0.00 0.00 135 T 8.27 4.33 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 136 E 8.67 3.71 0.00 2.11 1.99 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 2.25 2.24 0.00 137 K 8.63 4.05 0.00 1.91 1.93 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.36 1.54 7.81 138 L 7.58 4.47 0.00 1.75 1.53 0.90 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.44 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 0.00 0.00 0.00 0.00 140 F 8.52 4.49 0.00 3.29 3.33 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 0.00 141 T 6.58 4.53 4.14 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 0.88 0.00 0.00 142 G 7.73 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 0.00 143 R 8.32 4.28 0.00 1.87 2.03 0.00 3.36 0.00 0.00 3.26 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 144 Q 7.69 3.71 0.00 2.32 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.66 6.85 0.00 0.00 0.00 0.00 0.00 2.39 2.52 0.00 145 E 8.75 4.44 0.00 2.17 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 0.00 2.37 2.49 0.00 146 G 6.88 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 0.00 0.00 0.00 147 I 7.24 4.80 1.89 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.76 1.05 0.00 0.00 148 A 8.21 5.27 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 0.00 0.00 0.00 0.00 0.00 0.00 149 C 7.81 5.02 0.00 2.87 2.75 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 0.00 150 E 9.34 5.37 0.00 2.20 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 151 A 9.10 5.26 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 8.82 5.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 1.00 0.00 0.00 153 A 9.10 5.11 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 0.00 154 L 8.59 4.99 0.00 1.75 1.50 0.91 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 155 L 9.27 5.20 0.00 1.21 1.28 0.55 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 156 I 8.77 5.19 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.04 0.95 0.00 0.00 157 R 8.59 4.35 0.00 1.78 1.92 0.00 3.19 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 158 Q 8.76 4.24 0.00 2.09 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 * Residues marked with a * may have inaccurate shift predictions.