NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 R 4.5736 8.2549 119.6570 55.6489 31.6254 174.8364 3 L 4.0335 8.4643 122.8114 53.0613 42.6179 175.6722 4 C 4.5770 8.5860 119.1049 57.6020 31.2822 173.9356 5 D 4.3696 9.0145 119.6811 56.9074 38.6526 178.8780 6 R 4.0955 7.9885 119.6642 59.2506 30.0396 178.0913 7 D 4.5156 8.0829 118.1940 57.1790 40.8523 178.3330 8 I 3.5636 7.9512 120.6327 64.6849 37.0969 178.2400 9 E 3.9729 8.2550 118.8546 59.3261 29.3479 179.3261 10 A 4.0444 8.2306 120.8374 55.0984 18.4802 179.8064 11 W 4.0469 8.7945 117.7569 59.6447 28.8379 178.9070 12 L 4.2299 8.1017 118.6570 57.9164 41.1287 178.8915 13 D 4.4841 8.2969 118.3871 57.2803 40.8129 178.1180 14 E 4.0801 8.0193 118.8422 56.9971 29.6592 177.7374 15 G 3.9383 7.7974 105.3965 45.6272 0.0000 174.3092 16 R 4.1165 7.7830 119.2523 57.9246 30.6930 176.6704 17 L 4.7971 7.8322 119.5842 54.3600 43.1210 176.3451 18 S 4.7598 9.1485 119.7697 56.7866 66.8754 173.0201 19 I 5.0434 8.3734 121.9309 59.8441 40.2541 173.5538 20 N 5.1735 8.8683 127.2890 51.0383 40.5377 172.5743 21 P 4.7255 0.0000 0.0000 62.3321 32.7871 176.0188 22 R 4.2568 8.3308 121.5455 54.7195 30.4105 174.7247 23 P 4.4141 0.0000 0.0000 61.6217 32.2468 174.5954 24 P 4.5805 0.0000 0.0000 62.0977 32.4376 177.2011 25 V 3.6938 8.2668 116.6380 65.8770 31.4920 177.7873 26 E 4.0581 8.2179 118.1894 58.5555 29.6230 177.5697 27 R 4.4769 7.9655 115.8483 55.5882 30.5647 175.2793 28 I 4.9250 7.4692 119.6051 59.7366 39.2026 174.5089 29 N 5.0598 8.5994 121.0943 53.0960 41.9221 178.0837 30 G 3.9786 9.6438 111.4195 46.6141 0.0000 174.8099 31 A 5.2878 9.3612 116.6576 50.4601 21.1720 177.8394 32 T 4.9545 8.5556 107.8685 61.7256 73.2373 172.5611 33 V 4.9433 8.6251 122.5172 61.0581 34.0022 174.6233 34 D 4.9904 8.9488 128.4510 54.6000 41.5563 176.1448 35 V 4.6166 8.7964 115.4179 59.6963 35.6777 174.7079 36 R 5.0434 9.1401 120.3572 54.1420 34.2518 174.9420 37 L 4.3840 8.4440 123.1069 55.1674 43.5085 177.2838 38 G 4.2284 8.6735 113.8125 45.7444 0.0000 173.0748 39 N 5.2138 8.7634 120.1174 53.1884 40.3397 175.0630 40 K 5.0574 7.5040 116.4343 55.2384 35.9012 174.9757 41 F 4.9457 8.9679 120.6414 56.4167 44.1569 173.6267 42 R 5.0713 9.0018 118.9161 54.9867 34.6227 174.5299 43 T 5.1529 8.4564 112.4492 60.0313 72.0599 172.8474 44 F 5.0896 8.9350 119.1119 56.0010 41.3608 176.4690 45 R 4.6565 8.9179 123.6184 54.1343 29.8644 176.7834 46 G 3.7244 8.3230 111.4071 47.9417 0.0000 172.7538 47 H 4.4024 8.3003 114.4444 57.5299 28.6337 175.8889 48 T 4.3036 7.3508 109.2409 61.7824 69.3756 174.2373 49 A 4.6617 7.5037 123.8531 50.8813 22.4341 176.1000 50 A 4.2928 8.7029 123.1841 54.7225 19.0582 177.4674 51 F 4.7181 7.3579 107.5055 56.7055 40.0398 172.7575 52 I 4.0101 8.2960 121.1821 59.3137 39.3551 175.4617 53 D 4.7355 8.0642 125.3769 52.9144 40.1306 176.3908 54 L 4.0634 8.5637 127.5814 57.0432 41.8357 178.4208 55 S 4.6049 7.8607 109.8581 57.6438 62.8256 173.7365 56 G 4.0016 7.7008 108.2781 43.2441 0.0000 172.5588 57 P 4.2296 0.0000 0.0000 62.6368 32.5169 177.0963 58 K 3.8274 8.7986 123.3109 59.9409 32.2443 178.1004 59 D 4.4115 8.2155 118.3325 58.0480 40.7414 179.1406 60 E 3.9687 8.0419 117.9274 59.3319 29.6157 179.4134 61 V 3.5484 7.6422 118.0005 66.1085 31.4683 178.0891 62 S 4.1499 8.3197 112.5518 60.8956 62.1547 176.0606 63 A 3.9548 7.8245 123.2451 54.9506 18.1563 179.4453 64 A 3.9040 8.3938 119.7560 55.2516 18.2220 179.8250 65 L 3.9716 7.6523 116.4154 58.2130 41.7966 179.3281 66 D 4.5025 7.7527 117.4334 57.0468 40.7440 178.8678 67 R 4.0734 7.7851 118.1661 58.8486 31.7493 178.9368 68 V 4.1384 7.5812 113.6980 59.3785 28.0889 175.1161 *70 S 4.4482 7.0130 113.4346 57.6213 64.6170 174.1834 71 D 4.5203 8.3449 120.3800 53.9884 41.1634 176.1080 72 E 4.2555 8.5949 122.5345 56.7777 30.5633 175.8710 73 I 4.4869 8.9569 128.0079 59.8256 39.3509 174.6432 74 V 4.8316 8.3758 127.1113 60.8925 33.2076 174.9861 75 L 4.2864 8.4876 129.3055 54.8104 42.2414 177.8295 76 D 4.6639 8.7479 123.4896 53.0737 42.4417 175.1745 77 E 3.7635 8.8607 117.0315 58.6631 29.2819 177.7343 78 G 4.0082 8.8631 109.8457 45.9537 0.0000 173.2581 79 E 4.2200 7.7653 118.5927 55.8111 30.2749 175.7314 80 A 4.7972 8.0978 121.9707 50.0973 22.3965 175.2963 81 F 4.1819 8.5334 122.1934 56.5370 41.4395 174.2680 82 Y 4.6860 7.7499 124.3601 56.5617 38.6902 175.4646 83 L 4.4771 8.6483 129.0180 54.1904 42.6922 175.6065 84 H 4.8191 8.5895 123.7308 54.0466 30.6375 173.4381 85 P 4.2454 0.0000 0.0000 64.6697 31.4917 177.0136 86 G 4.2882 8.5036 110.3328 44.9795 0.0000 172.5403 87 E 4.7779 7.6197 119.6563 54.2684 31.8444 174.8577 88 L 5.1855 8.7931 126.4881 54.3708 43.4777 175.3560 89 A 5.2409 9.2068 126.0973 50.6948 23.3874 174.7713 90 L 5.0286 8.8873 119.4744 53.7773 44.4170 176.2183 91 A 4.5410 8.5209 122.2060 50.9909 22.8573 175.0515 92 V 4.8032 7.5515 113.5381 60.3802 34.9971 174.7464 93 T 4.3771 8.5031 112.8242 61.6023 69.1158 174.5120 94 L 4.1220 8.8879 126.4288 58.4023 42.3772 177.5482 95 E 4.4581 8.1277 118.4388 56.1558 31.0452 175.9411 96 S 4.8108 9.0365 119.5080 57.6419 64.0913 172.8371 97 V 5.0665 8.7068 126.3682 61.4958 34.6809 174.3435 98 T 5.1003 9.2282 123.1694 61.9935 72.0243 172.8110 99 L 5.1358 8.9115 126.8563 52.3228 45.1002 175.0144 100 P 5.0855 0.0000 0.0000 61.9035 33.4508 176.6297 101 A 4.2713 8.8274 121.3080 54.2327 18.6496 178.3411 102 D 5.1534 8.1182 115.1323 52.6231 40.0975 175.0835 103 L 5.2999 7.7897 119.8440 54.2049 45.9040 175.0366 104 V 4.6089 8.9419 124.9156 59.7987 34.6879 174.6933 105 G 4.1712 8.5354 109.6832 44.2079 0.0000 172.0375 106 W 5.3587 8.2753 120.2070 54.5120 33.2916 174.0488 107 L 4.7969 8.7750 127.8684 54.2494 42.2464 175.5569 108 D 4.9283 9.2756 126.8635 52.4584 43.3072 176.7412 109 G 4.2942 8.4904 115.6634 45.8559 0.0000 174.1658 110 R 4.6805 8.2511 120.4312 53.4593 35.4964 175.6953 111 S 4.1658 8.7384 116.4931 61.7731 62.1914 176.8327 112 S 4.1803 8.0201 116.5897 61.1980 62.8581 175.8660 113 L 4.2368 7.7260 120.8385 57.0664 41.8247 178.7335 114 A 4.0570 8.4216 121.2341 55.1517 18.0995 179.3614 115 R 4.1861 7.7899 113.9259 57.5709 30.2747 177.2466 116 L 4.5039 7.6560 117.1283 54.1735 42.4959 177.2249 117 G 3.8841 8.3224 107.9552 44.8545 0.0000 173.8038 118 L 4.5177 7.3704 121.6099 54.3502 42.9870 176.8852 *120 V 4.3917 8.0363 112.1908 61.0634 33.1825 174.9825 121 H 4.9763 7.6965 113.5062 54.2481 31.1533 173.6077 122 V 4.0254 7.9949 119.6246 62.3752 31.6443 175.4860 123 T 3.6376 8.1917 119.5693 61.1912 67.6634 175.1975 124 A 4.3786 7.5547 126.5728 52.8266 21.0247 175.8838 125 H 4.7857 8.6396 115.6168 56.2899 31.0680 172.3772 126 R 3.7436 7.8973 119.4637 55.6342 31.0526 175.4003 127 I 3.7295 7.6849 127.7834 59.3804 38.9253 175.2053 128 D 4.7875 8.0339 127.3544 52.7062 42.5578 174.4370 129 P 4.8113 0.0000 0.0000 63.9205 31.2978 177.6363 130 G 4.1288 8.8438 109.0690 45.9953 0.0000 173.3054 131 W 4.3856 8.1541 130.5169 57.8488 30.1222 175.0448 132 S 4.4556 6.9912 118.7444 57.0606 64.1809 173.4449 133 G 4.2715 8.0191 117.2424 44.0352 0.0000 170.9028 134 C 4.9088 7.5276 117.2322 59.4286 29.0130 173.7138 135 I 4.3204 8.3938 122.9603 59.9582 38.5297 175.1871 136 V 4.1053 8.2190 127.5412 62.4458 32.3896 174.8457 137 L 4.4091 8.4459 127.8062 52.9319 43.9154 175.4153 138 A 4.8305 8.3219 125.4699 50.4782 20.1224 175.6360 139 F 5.1104 9.0450 121.2800 57.6797 41.3439 174.9538 140 Y 5.1647 8.6011 123.0994 56.0869 42.4672 173.2400 141 N 4.6898 7.8395 126.0560 52.4850 39.3093 174.8264 142 S 4.5991 9.1836 121.4319 58.6013 64.5867 174.9102 143 G 4.1843 7.9746 110.4129 44.9716 0.0000 173.2159 144 K 4.3778 8.4802 116.5234 56.2429 33.2354 176.4614 145 L 4.8105 7.4436 118.0365 51.6942 44.3751 174.4013 146 P 4.5732 0.0000 0.0000 62.9213 32.3594 175.6154 147 L 4.7848 8.5027 122.1046 52.7594 44.9871 175.5357 148 A 4.3783 8.7089 126.1122 51.4837 19.2884 176.2903 149 L 4.5683 8.8888 123.7979 53.4471 43.7045 176.1044 150 R 4.9614 8.3913 122.1055 53.3191 33.2343 173.8597 151 P 4.3242 0.0000 0.0000 64.1042 31.7971 176.9764 152 G 3.7499 8.3728 112.0735 46.0244 0.0000 172.9543 *154 L 4.2029 7.2680 116.2523 55.0178 43.0496 176.8654 155 I 4.3680 8.0663 123.4507 61.3774 40.4346 174.9317 156 G 4.1923 7.5391 105.6950 46.5471 0.0000 171.8191 157 A 5.2864 8.4578 120.0409 50.5084 23.1841 175.7040 158 L 5.1142 9.2021 120.3795 52.7921 44.9663 176.0268 159 S 5.0316 8.4430 116.9048 56.4962 66.7778 172.8233 160 F 5.2825 8.3881 117.7043 55.8171 43.4846 173.4794 161 E 4.8157 9.2891 123.2820 53.6386 32.3965 173.0609 162 P 4.8054 0.0000 0.0000 63.0763 32.1127 176.3626 163 L 4.6208 8.5371 123.8065 53.4544 42.7846 177.3038 164 S 4.2417 8.7979 115.0162 61.3575 63.0740 173.9333 165 G 4.1398 7.4667 107.1042 43.5087 0.0000 169.8285 166 P 4.4789 0.0000 0.0000 61.9649 31.7851 176.1941 167 A 4.0826 8.7266 126.8749 52.3013 18.7933 177.8053 168 V 3.7724 8.5308 122.7443 65.1113 32.2871 176.5277 169 R 4.6240 7.5513 117.4333 53.7083 30.1091 172.7878 170 P 4.6453 0.0000 0.0000 61.9488 32.7193 177.8344 171 Y 4.0322 9.2137 120.6299 60.6693 39.0462 177.9771 172 N 4.4328 8.0116 117.3245 54.8450 37.4318 176.1794 173 R 4.4725 7.4990 115.4101 55.7861 31.7939 175.9469 174 R 4.0756 7.4765 119.9024 55.5320 30.3116 176.9560 175 E 3.9781 8.7607 124.1112 58.5278 30.0813 177.0544 176 D 4.6342 7.8606 116.9326 52.6494 39.7656 176.0791 177 A 3.9628 7.3098 123.2674 52.5952 18.6503 178.5151 178 K 4.0418 8.5779 121.3654 57.8045 32.7477 177.2253 179 Y 5.0635 7.8767 115.1974 57.6127 38.7728 176.1724 180 R 3.8065 8.3045 118.0180 57.0756 31.2116 176.0653 181 N 3.8488 7.4298 115.1831 54.4710 37.4514 174.6128 182 Q 4.3085 7.3717 119.9320 55.7843 30.2179 175.3052 183 Q 4.5411 8.8383 124.7448 55.4919 31.8422 174.9162 184 G 4.2206 7.7525 106.6723 44.7183 0.0000 173.5820 185 A 4.1888 8.3248 118.7927 50.9111 16.9063 176.6694 186 V 3.6921 7.5142 120.1603 61.7864 32.6597 176.0112 187 A 4.3121 8.3451 129.8183 51.1485 19.2536 176.7835 188 S 4.4398 8.5520 114.1361 59.0662 62.9483 174.4600 189 R 4.9298 8.7455 125.3507 54.8066 30.8661 178.2548 190 I 3.6890 7.6955 121.3513 64.0162 37.8159 177.1787 191 D 4.5012 8.2053 119.1090 55.4326 39.0632 177.6022 192 K 4.2613 8.0016 118.2200 56.9054 32.6057 176.5389 193 D 4.5390 7.8707 124.3553 54.7094 40.6580 176.1597 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 2 R 8.25 4.57 0.00 1.71 1.94 0.00 3.35 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 3 L 8.46 4.03 0.00 1.54 1.46 -0.17 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 4 C 8.59 4.58 0.00 3.01 3.09 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 0.00 0.00 0.00 0.00 5 D 9.01 4.37 0.00 2.99 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 6 R 7.99 4.10 0.00 1.89 2.00 0.00 3.38 0.00 0.00 3.38 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 7 D 8.08 4.52 0.00 2.86 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 8 I 7.95 3.56 2.03 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.81 0.87 0.00 0.00 9 E 8.26 3.97 0.00 2.26 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 10 A 8.23 4.04 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 11 W 8.79 4.05 0.00 3.35 3.20 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 12 L 8.10 4.23 0.00 1.81 1.74 0.93 0.99 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 13 D 8.30 4.48 0.00 2.80 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 14 E 8.02 4.08 0.00 1.87 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.19 0.00 15 G 7.80 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 16 R 7.78 4.12 0.00 1.73 1.99 0.00 3.15 0.00 0.00 3.06 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 17 L 7.83 4.80 0.00 1.75 1.70 0.59 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 18 S 9.15 4.76 0.00 3.87 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 19 I 8.37 5.04 1.91 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 1.02 0.00 0.00 20 N 8.87 5.17 0.00 2.77 2.67 0.00 0.00 6.58 7.16 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 21 P 0.00 4.73 0.00 2.13 2.04 0.00 3.83 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 2.00 1.97 0.00 22 R 8.33 4.26 0.00 1.89 1.90 0.00 3.07 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 23 P 0.00 4.41 0.00 2.11 1.99 0.00 3.77 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 24 P 0.00 4.58 0.00 2.45 2.23 0.00 3.72 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 2.08 1.96 0.00 25 V 8.27 3.69 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 1.00 0.00 0.00 0.99 0.00 0.00 26 E 8.22 4.06 0.00 1.99 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 2.32 2.40 0.00 27 R 7.97 4.48 0.00 1.86 1.94 0.00 3.24 0.00 0.00 3.19 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 28 I 7.47 4.93 1.90 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 1.40 0.76 0.95 0.00 0.00 29 N 8.60 5.06 0.00 2.93 2.88 0.00 0.00 6.72 6.59 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 30 G 9.64 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 A 9.36 5.29 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 32 T 8.56 4.95 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 1.18 0.00 0.00 33 V 8.63 4.94 2.25 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 0.88 0.00 0.00 1.15 0.00 0.00 34 D 8.95 4.99 0.00 2.63 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 35 V 8.80 4.62 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 0.86 0.00 0.00 0.95 0.00 0.00 36 R 9.14 5.04 0.00 1.84 1.80 0.00 3.30 0.00 0.00 3.11 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 37 L 8.44 4.38 0.00 1.89 1.59 1.15 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 38 G 8.67 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 0.00 0.00 0.00 0.00 39 N 8.76 5.21 0.00 2.86 2.77 0.00 0.00 6.71 6.21 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 40 K 7.50 5.06 0.00 1.56 1.71 0.00 1.65 0.00 0.00 1.98 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.40 7.81 41 F 8.97 4.95 0.00 2.97 2.58 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 50 A 8.70 4.29 1.52 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 51 F 7.36 4.72 0.00 3.13 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 52 I 8.30 4.01 1.88 0.00 0.00 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 1.25 0.65 0.89 0.00 0.00 53 D 8.06 4.74 0.00 2.57 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 54 L 8.56 4.06 0.00 1.71 1.76 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 55 S 7.86 4.60 0.00 3.94 3.81 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 56 G 7.70 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 57 P 0.00 4.23 0.00 2.16 2.01 0.00 3.63 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 2.13 2.17 0.00 58 K 8.80 3.83 0.00 1.81 1.81 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.50 1.66 7.81 59 D 8.22 4.41 0.00 2.71 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 60 E 8.04 3.97 0.00 1.97 1.94 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 2.38 2.35 0.00 61 V 7.64 3.55 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 0.98 0.00 0.00 1.07 0.00 0.00 62 S 8.32 4.15 0.00 4.08 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 A 7.82 3.95 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 64 A 8.39 3.90 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 65 L 7.65 3.97 0.00 1.66 1.77 1.01 1.20 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 66 D 7.75 4.50 0.00 2.75 2.73 0.00 0.00 0.00 0.00 0.00 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0.00 3.13 3.18 0.00 5.70 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.25 0.00 2.01 2.15 0.00 3.77 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 2.02 2.07 0.00 86 G 8.50 4.29 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 0.00 0.00 0.00 87 E 7.62 4.78 0.00 2.04 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 0.00 2.36 2.44 0.00 88 L 8.79 5.19 0.00 1.80 1.54 1.10 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 89 A 9.21 5.24 1.48 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 0.00 0.00 0.00 0.00 0.00 0.00 90 L 8.89 5.03 0.00 1.52 1.47 0.86 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 91 A 8.52 4.54 0.80 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 92 V 7.55 4.80 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 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 L 7.37 4.52 0.00 1.55 1.70 0.67 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 *120 V 8.04 4.39 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 1.05 0.00 0.00 1.02 0.00 0.00 121 H 7.70 4.98 0.00 3.29 3.20 0.00 5.66 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.99 4.03 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 1.01 0.00 0.00 0.99 0.00 0.00 123 T 8.19 3.64 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 1.20 0.00 0.00 124 A 7.55 4.38 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 0.00 125 H 8.64 4.79 0.00 3.14 2.77 0.00 5.47 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.90 3.74 0.00 1.60 1.53 0.00 2.96 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.50 0.00 127 I 7.68 3.73 1.52 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.53 0.42 0.00 0.00 128 D 8.03 4.79 0.00 2.43 2.61 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 0.00 129 P 0.00 4.81 0.00 2.34 2.36 0.00 3.87 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 2.13 1.96 0.00 130 G 8.84 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 8.15 4.39 0.00 3.27 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 0.00 132 S 6.99 4.46 0.00 3.67 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 0.00 133 G 8.02 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 0.00 134 C 7.53 4.91 0.00 2.94 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 0.00 135 I 8.39 4.32 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.85 0.67 0.00 0.00 136 V 8.22 4.11 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 0.60 0.00 0.00 0.97 0.00 0.00 137 L 8.45 4.41 0.00 0.80 0.72 0.67 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.32 4.83 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 0.00 139 F 9.05 5.11 0.00 3.25 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 0.00 140 Y 8.60 5.16 0.00 3.09 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 0.00 141 N 7.84 4.69 0.00 2.49 2.63 0.00 0.00 6.54 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 S 9.18 4.60 0.00 4.08 4.37 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 0.00 143 G 7.97 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.48 4.38 0.00 1.74 1.85 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.38 7.81 145 L 7.44 4.81 0.00 1.55 1.52 0.91 1.02 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 0.00 146 P 0.00 4.57 0.00 1.90 1.80 0.00 3.61 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 147 L 8.50 4.78 0.00 1.48 1.45 0.84 0.73 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 0.00 148 A 8.71 4.38 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 0.00 149 L 8.89 4.57 0.00 1.56 1.61 0.47 0.47 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 0.00 150 R 8.39 4.96 0.00 1.65 1.80 0.00 3.22 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.57 0.00 151 P 0.00 4.32 0.00 1.99 2.07 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 152 G 8.37 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 *154 L 7.27 4.20 0.00 1.69 1.70 0.93 0.87 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 0.00 155 I 8.07 4.37 1.97 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.02 0.93 0.00 0.00 156 G 7.54 4.19 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 0.00 157 A 8.46 5.29 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 0.00 158 L 9.20 5.11 0.00 1.33 0.79 0.98 0.61 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 0.00 159 S 8.44 5.03 0.00 3.81 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 0.00 160 F 8.39 5.28 0.00 2.83 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 0.00 161 E 9.29 4.82 0.00 2.19 1.94 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 2.28 2.32 0.00 162 P 0.00 4.81 0.00 2.04 2.11 0.00 3.71 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 163 L 8.54 4.62 0.00 1.74 1.66 1.02 0.79 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 0.00 164 S 8.80 4.24 0.00 4.01 4.04 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 0.00 165 G 7.47 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 0.00 0.00 0.00 0.00 166 P 0.00 4.48 0.00 2.22 2.11 0.00 3.81 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 167 A 8.73 4.08 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 0.00 168 V 8.53 3.77 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 0.84 0.00 0.00 0.95 0.00 0.00 169 R 7.55 4.62 0.00 1.82 1.84 0.00 3.27 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 170 P 0.00 4.65 0.00 2.44 2.25 0.00 3.75 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 1.98 0.00 171 Y 9.21 4.03 0.00 3.29 3.11 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 0.00 0.00 0.00 0.00 172 N 8.01 4.43 0.00 3.06 3.26 0.00 0.00 6.84 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 R 7.50 4.47 0.00 1.80 1.96 0.00 3.15 0.00 0.00 3.14 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 174 R 7.48 4.08 0.00 1.73 1.59 0.00 3.11 0.00 0.00 3.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 175 E 8.76 3.98 0.00 2.06 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 2.23 2.25 0.00 176 D 7.86 4.63 0.00 2.75 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 0.00 177 A 7.31 3.96 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 K 8.58 4.04 0.00 1.22 0.74 0.00 1.64 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.13 1.27 7.81 179 Y 7.88 5.06 0.00 3.52 3.43 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 0.00 180 R 8.30 3.81 0.00 1.75 1.78 0.00 3.25 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.54 0.00 181 N 7.43 3.85 0.00 2.62 2.71 0.00 0.00 7.10 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 0.00 182 Q 7.37 4.31 0.00 2.47 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.44 0.00 0.00 0.00 0.00 0.00 2.72 2.46 0.00 183 Q 8.84 4.54 0.00 1.97 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.20 2.36 0.00 184 G 7.75 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 0.00 0.00 0.00 0.00 185 A 8.32 4.19 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 V 7.51 3.69 2.16 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 1.03 0.00 0.00 1.00 0.00 0.00 187 A 8.35 4.31 1.26 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 0.00 0.00 188 S 8.55 4.44 0.00 3.95 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 0.00 189 R 8.75 4.93 0.00 1.68 1.74 0.00 2.88 0.00 0.00 3.05 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 190 I 7.70 3.69 1.94 0.00 0.00 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 1.39 1.25 0.95 0.00 0.00 191 D 8.21 4.50 0.00 2.85 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 0.00 192 K 8.00 4.26 0.00 1.78 1.83 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.33 7.81 193 D 7.87 4.54 0.00 2.82 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 * Residues marked with a * may have inaccurate shift predictions.