NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 H 4.6561 8.4444 120.3887 56.0011 30.8802 172.3040 1 M 3.9435 8.3665 127.3033 54.2357 32.6563 174.3376 2 L 4.3657 8.1456 126.6593 55.0219 43.6625 175.5597 3 T 4.9672 8.9226 110.8367 60.2425 72.2577 174.4414 4 M 4.1721 8.8516 119.5143 58.3365 32.0515 179.1627 5 K 4.0274 7.7507 117.8813 59.2868 32.5186 177.7146 6 D 4.4912 8.3556 117.4689 55.2100 41.2409 175.8784 7 I 4.4693 7.2460 121.3030 59.8961 37.4026 175.6144 8 I 4.0840 8.2888 120.4313 60.8590 38.5075 175.8352 9 R 4.8348 8.3926 122.5399 54.2627 33.0217 174.8428 10 D 4.4663 8.6052 120.6383 56.4022 40.8731 176.6090 11 G 4.1258 9.3523 113.5776 46.0532 0.0000 173.5576 12 H 4.2669 8.4992 120.8200 55.2436 30.5673 174.2161 13 P 4.3215 0.0000 0.0000 66.2357 30.9824 178.8809 14 T 3.9884 8.2868 113.8778 66.3158 68.4921 176.1680 15 L 4.1583 8.0888 120.2653 56.4573 41.4130 178.2762 16 R 4.5570 7.6262 116.1230 55.1369 30.9613 175.9666 17 Q 4.3993 7.2031 118.4682 55.2414 30.2864 175.4693 18 K 4.4605 8.3654 120.0614 55.1647 32.8480 177.0712 19 A 4.4888 9.0768 127.5407 51.0901 19.5179 176.6200 20 A 4.2372 8.6665 122.2966 51.2979 19.7423 177.0925 21 E 4.3610 8.8653 123.8186 56.3279 30.4465 176.0436 22 L 4.7352 8.9632 126.4083 53.0399 43.8565 176.2802 23 E 4.3834 8.4691 120.9401 55.7580 30.5846 176.0218 24 L 4.7909 8.0368 121.4113 52.0237 44.1539 174.9678 25 P 4.4715 0.0000 0.0000 62.2411 32.0752 176.3645 26 L 4.2793 8.1873 120.0163 54.8791 42.3678 177.7872 27 T 4.2333 8.9320 112.5687 61.0652 70.8613 175.7720 28 K 3.8919 8.4728 122.0082 59.6963 32.1503 178.3146 29 E 3.9172 8.1676 119.0592 59.3715 29.5812 178.5504 30 E 3.9646 8.4148 118.8257 59.2709 29.4942 179.4041 31 K 3.9908 8.2248 118.5859 59.6342 32.0615 179.2544 32 E 3.9938 8.5066 119.0136 59.5615 29.2221 179.6737 33 T 3.8746 8.0610 115.9989 66.5920 68.4883 176.7601 34 L 4.0050 7.9884 120.8427 57.9340 41.5735 179.6966 35 I 3.6985 8.0034 119.5733 64.3482 36.9345 178.4269 36 A 4.0139 8.4410 122.0513 55.1822 18.1753 179.6478 37 M 4.0108 8.4335 117.7239 58.5764 32.0048 178.8422 38 R 3.9090 8.2039 118.9647 59.5369 30.2239 178.0846 39 E 3.8970 8.5585 119.3754 59.1759 29.5443 178.5369 40 F 3.9497 8.4839 121.0258 61.1807 39.2403 177.1212 41 L 4.0310 7.7974 117.4993 57.6840 41.7231 179.2592 42 V 3.7118 7.9607 118.2978 66.2666 31.4723 177.7883 43 N 4.2846 8.4030 116.6923 56.3221 38.2389 177.5926 44 S 4.0043 8.1571 115.6976 60.7662 62.7728 175.6119 45 Q 4.4753 7.4739 119.1340 55.0871 29.1758 174.7670 46 D 4.6635 7.4512 121.6849 52.7999 42.1982 176.1237 47 E 3.9246 9.0690 126.9077 59.9542 29.4278 179.3645 48 E 3.9184 8.1392 117.5226 59.3641 29.5748 179.3032 49 I 3.7803 8.1700 119.5608 64.4345 37.2568 178.2913 50 A 3.9767 8.4105 121.9250 55.1101 18.0506 179.6593 51 K 3.8884 8.0624 118.1398 59.5626 32.0754 178.9387 52 R 3.6698 8.3452 118.9362 58.6267 29.8611 176.5257 53 Y 4.6531 7.6698 113.0000 57.0274 38.6246 175.6212 54 G 3.9414 7.7202 107.6027 46.5526 0.0000 174.0745 55 L 4.4630 8.2690 119.4585 53.5435 42.6400 176.8720 56 R 4.4248 8.4184 121.7204 54.6847 31.3109 176.5642 57 S 4.2841 7.9963 116.7043 58.1915 63.0079 173.3343 58 G 4.3304 8.4146 113.9180 44.8211 0.0000 173.0932 59 V 4.5437 7.8417 111.2497 59.9314 33.8798 175.4475 60 G 4.4194 7.8576 106.2925 44.8498 0.0000 172.2185 61 L 4.8227 8.8899 122.7347 53.6290 46.0525 174.0684 62 A 5.1208 9.0167 127.5961 49.8400 21.5756 177.2858 63 A 3.8820 8.9365 124.0094 54.8675 18.8835 178.6671 64 P 4.3954 0.0000 0.0000 65.0483 31.6372 178.3280 65 Q 4.0333 8.2444 116.9634 57.4967 28.6939 177.2067 66 I 4.8961 7.4039 110.7596 59.5900 37.7250 174.9018 67 N 4.0715 8.1067 116.5743 55.5761 37.1069 173.9395 68 I 4.3347 7.4794 117.2372 59.1970 39.0481 175.5776 69 S 4.8274 8.2967 124.7287 56.9786 60.2440 172.6884 70 K 4.6872 7.5215 119.6686 54.4024 36.7812 178.3606 71 R 4.4118 8.7083 123.2021 55.5270 28.6514 174.6388 72 M 5.4732 7.8967 120.4339 53.3862 37.0024 174.2284 73 I 5.1816 8.9302 114.9321 59.1696 42.0089 173.7072 74 A 5.2248 9.0598 125.0601 50.2020 22.0598 175.2460 75 V 4.5402 9.0158 122.0548 61.0549 34.5706 174.4757 76 L 4.9982 9.2940 129.4524 53.5647 44.0221 173.2615 77 I 4.7913 9.2047 126.2088 58.3238 39.0664 173.6657 78 P 4.7543 0.0000 0.0000 62.0442 32.5253 175.5297 79 D 5.0992 9.0398 119.2724 54.4596 41.6658 176.5677 80 D 4.7614 8.8381 124.2012 53.5209 39.7551 176.9961 81 G 4.0621 8.6701 108.5489 45.6666 0.0000 174.6647 82 S 4.4628 8.3185 112.5853 58.0119 63.8590 175.1765 83 G 4.1265 8.8339 110.2015 44.8568 0.0000 173.8154 84 K 4.3177 7.9917 120.8612 56.0956 33.0090 176.4282 85 S 4.9593 8.0788 118.1651 57.0880 66.7304 173.2528 86 Y 4.6641 9.3311 118.6404 56.5881 40.9311 174.2972 87 D 5.2840 8.4388 124.2958 52.4107 43.1432 173.5509 88 Y 4.8389 9.3585 122.7247 56.2710 42.2663 174.1617 89 M 5.0770 8.9995 123.8703 53.8385 33.7557 175.2934 90 L 5.1325 9.1696 124.3009 52.8221 45.7364 175.7695 91 V 4.6908 8.9792 122.4397 61.7199 34.2927 175.3261 92 N 4.4135 8.9794 124.6083 53.5243 36.7855 172.9577 93 P 4.7244 0.0000 0.0000 63.0172 32.6488 176.0662 94 K 4.6362 8.9252 122.9212 54.8388 36.1342 175.0164 95 I 4.2626 8.4933 128.2524 61.7835 36.9110 176.0651 96 V 4.2748 8.7893 121.4053 62.5429 32.9920 175.9961 97 S 4.7019 7.7004 113.3109 57.9061 66.1404 172.8826 98 H 5.3863 8.1071 115.1896 54.0388 31.6536 173.2910 99 S 4.3445 8.6837 114.5234 58.5545 63.3030 173.9354 100 V 3.8737 8.4892 118.0044 65.2531 31.8658 176.3585 101 Q 4.7426 7.4508 117.6867 54.4141 31.1552 175.1768 102 E 4.9546 8.6757 120.6756 55.8987 31.7094 175.1693 103 A 5.8086 9.5754 123.4956 49.9262 23.5038 174.3897 104 Y 5.1268 7.5317 115.1210 55.6557 41.7885 174.1678 105 L 4.4583 8.6163 121.8826 53.6372 42.4786 176.5809 106 P 4.5734 0.0000 0.0000 65.5665 31.3997 177.0322 107 T 4.2905 8.0070 107.3293 60.9693 69.0510 175.8152 108 G 3.8771 8.0388 111.6804 45.0742 0.0000 172.3876 109 E 4.6491 8.5484 116.8194 54.3413 33.1363 175.1707 110 G 3.9491 7.4809 107.5984 44.2532 0.0000 171.8532 *112 L 4.3960 8.4639 117.0845 54.9214 43.5705 177.9781 113 S 4.4410 7.9903 112.3309 58.9926 63.2393 173.3917 114 V 4.6201 7.6240 119.9655 61.1694 32.6643 174.4334 115 D 4.5490 8.7867 128.2975 56.3438 41.2723 176.8699 116 D 4.7403 7.7850 117.6616 52.1882 41.0308 174.9665 117 N 4.7251 8.3607 116.2631 52.6097 39.4119 175.2285 118 V 4.2998 8.3039 120.3570 61.0619 34.0071 174.3753 119 A 4.6391 10.0270 130.3555 49.8853 20.3991 174.6779 120 G 3.9221 8.4077 109.0388 43.6905 0.0000 173.0335 121 L 4.1762 8.5930 125.3294 54.1451 42.4017 176.3157 122 V 4.4163 8.1908 122.4154 61.5634 32.8424 174.3617 123 H 4.8848 8.7362 125.6492 55.5282 29.9542 175.0576 124 R 4.6449 9.1472 120.9627 54.6815 35.2433 173.6681 125 H 4.6229 8.7350 117.4027 56.1667 28.6606 176.2018 126 N 4.5539 9.4152 122.2269 55.9340 40.2511 174.9035 127 R 5.2803 7.9866 117.0736 54.2373 34.1743 174.6516 128 I 5.1324 8.7689 115.6581 59.6692 41.9755 173.8534 129 T 5.0260 8.8288 119.5241 61.8601 71.6231 173.1577 130 I 4.9630 8.7607 126.8823 59.3692 40.7049 174.6074 131 K 5.0714 8.6266 124.8324 54.9766 35.1356 175.1826 132 A 4.8872 8.7135 124.1666 51.5976 23.5671 174.8241 133 K 5.0852 9.0481 118.3354 54.9736 35.6081 176.7674 134 D 5.0671 8.7979 123.1253 52.1427 41.7057 176.9099 135 I 3.6309 8.5224 117.5430 63.8579 37.9420 176.2406 136 E 4.3130 8.4224 117.2018 55.9960 29.6089 176.7335 137 G 3.9128 8.4458 107.7528 45.4805 0.0000 173.7147 138 N 4.6987 8.4656 117.8358 52.5841 39.5445 173.5455 139 D 5.2545 8.2948 119.3050 53.7337 42.3689 176.4002 140 I 4.6954 8.7795 122.6388 59.5295 41.4263 174.1637 141 Q 4.8318 8.6841 126.5168 54.4127 31.5180 173.9901 142 L 4.6317 8.7926 126.9486 53.0066 44.4866 175.7018 143 R 4.9570 8.4244 121.3885 54.5144 32.1527 175.2686 144 L 5.0463 8.9458 124.1135 52.8109 45.8352 175.7903 145 K 4.8914 8.2889 119.1508 56.0572 35.5707 177.9420 146 G 3.7238 9.3425 109.9825 46.7342 0.0000 175.3364 147 Y 4.1117 8.8557 120.3007 60.5858 38.6756 176.6434 148 P 3.7975 0.0000 0.0000 65.3142 31.3080 178.4221 149 A 3.9679 7.7984 119.1384 55.0754 18.2549 179.5612 150 I 3.5962 7.7167 118.3920 64.4872 37.1920 178.7803 151 V 3.3204 7.4999 119.0952 66.0457 31.2144 178.1424 152 F 3.9589 8.3396 117.4978 60.4699 38.6586 177.7626 153 Q 4.0377 8.3222 117.8834 59.0636 28.2607 178.1864 154 H 4.0473 8.1841 118.4636 59.3720 30.2352 176.9332 155 E 4.2108 8.3121 120.3029 59.5489 29.2359 179.3507 156 I 3.7706 8.1983 120.2634 64.4803 37.0441 177.9962 157 D 4.3481 8.3008 119.8094 57.9347 40.7442 178.6266 158 H 4.1404 7.9403 115.9610 58.8804 28.6086 177.4806 159 L 4.2642 8.3164 120.1743 56.3686 41.1614 177.9650 160 N 4.8555 7.9123 115.3853 52.5513 38.8074 174.7985 161 G 4.1953 7.8541 105.0834 45.6700 0.0000 173.9235 162 V 4.3419 7.7706 118.2381 60.7469 33.7113 174.5673 163 M 4.4557 8.2831 126.4278 53.0936 34.2199 177.0190 164 F 4.1974 8.6698 117.5500 60.3843 37.8383 177.1053 165 Y 4.0311 6.1245 116.6862 58.9712 37.5390 177.5275 166 D 4.3431 7.3403 120.6277 57.2699 40.9022 177.4151 167 H 4.5967 7.8409 114.7878 55.8208 29.3179 175.7371 168 I 4.2276 6.9747 122.3624 60.3204 37.4926 175.8100 169 D 4.5432 8.5552 125.1878 54.1674 41.3652 176.6649 170 K 4.0271 8.6561 124.0351 58.5811 32.6048 176.5192 171 N 4.5863 8.0589 117.0880 53.5071 40.6274 174.3825 172 H 4.0681 8.6761 122.8015 56.0825 26.3190 173.7958 173 P 4.3100 0.0000 0.0000 65.3651 31.6614 178.3865 174 L 4.3977 7.8507 116.1811 54.6968 42.1411 175.8577 175 Q 4.5519 7.7361 118.9201 53.1286 30.2485 174.0183 176 P 4.0113 0.0000 0.0000 62.5092 32.2371 176.1091 177 H 4.4393 8.3953 118.2410 55.6183 29.3944 175.3467 178 T 4.0922 8.1946 119.1288 65.2576 68.6936 175.0134 179 D 4.6690 8.9409 123.1154 54.5985 39.4980 174.3770 180 A 4.5656 7.8026 120.7160 51.9742 19.4659 177.2167 181 V 4.4344 8.6636 113.8973 59.1789 34.4435 175.1416 182 E 3.0840 8.5304 126.4158 55.7465 30.2208 176.5905 183 V 3.7850 8.0070 126.5174 63.1489 31.2143 175.5574 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 H 8.44 4.66 0.00 3.08 3.30 0.00 5.89 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 1 M 8.37 3.94 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 2 L 8.15 4.37 0.00 1.86 1.63 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 3 T 8.92 4.97 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 1.23 0.00 0.00 4 M 8.85 4.17 0.00 2.14 2.26 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.75 0.00 5 K 7.75 4.03 0.00 1.72 1.91 0.00 1.64 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.52 1.50 7.81 6 D 8.36 4.49 0.00 2.79 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 I 7.25 4.47 1.92 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.17 0.86 0.00 0.00 8 I 8.29 4.08 1.74 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.43 0.79 0.00 0.00 9 R 8.39 4.83 0.00 1.81 1.90 0.00 3.19 0.00 0.00 3.29 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 10 D 8.61 4.47 0.00 2.90 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 11 G 9.35 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 12 H 8.50 4.27 0.00 3.33 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.32 0.00 2.20 2.10 0.00 3.39 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.16 0.00 14 T 8.29 3.99 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 1.19 0.00 0.00 15 L 8.09 4.16 0.00 1.87 1.74 1.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 16 R 7.63 4.56 0.00 1.78 1.94 0.00 3.32 0.00 0.00 3.28 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 17 Q 7.20 4.40 0.00 1.89 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 18 K 8.37 4.46 0.00 1.63 1.75 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 19 A 9.08 4.49 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 20 A 8.67 4.24 1.29 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 21 E 8.87 4.36 0.00 2.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 22 L 8.96 4.74 0.00 1.65 1.56 0.93 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 23 E 8.47 4.38 0.00 1.96 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 24 L 8.04 4.79 0.00 1.61 1.57 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.47 0.00 2.18 2.06 0.00 3.77 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 26 L 8.19 4.28 0.00 1.67 1.66 0.97 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 27 T 8.93 4.23 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 1.25 0.00 0.00 28 K 8.47 3.89 0.00 1.89 1.85 0.00 1.62 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.72 7.81 29 E 8.17 3.92 0.00 2.07 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 2.38 2.41 0.00 30 E 8.41 3.96 0.00 2.26 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 2.33 2.35 0.00 31 K 8.22 3.99 0.00 1.96 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.67 7.81 32 E 8.51 3.99 0.00 2.17 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 2.34 2.48 0.00 33 T 8.06 3.87 4.43 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 1.20 0.00 0.00 34 L 7.99 4.00 0.00 1.87 1.74 0.95 0.66 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 35 I 8.00 3.70 2.06 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 1.46 0.82 0.92 0.00 0.00 36 A 8.44 4.01 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 37 M 8.43 4.01 0.00 2.05 2.29 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.50 0.00 38 R 8.20 3.91 0.00 1.90 2.12 0.00 3.11 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 39 E 8.56 3.90 0.00 2.14 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 2.42 2.29 0.00 40 F 8.48 3.95 0.00 3.14 3.26 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 41 L 7.80 4.03 0.00 1.90 1.76 0.98 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 42 V 7.96 3.71 2.23 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 1.01 0.00 0.00 0.97 0.00 0.00 43 N 8.40 4.28 0.00 2.68 2.69 0.00 0.00 6.86 7.37 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 44 S 8.16 4.00 0.00 4.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 7.47 4.48 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.77 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 46 D 7.45 4.66 0.00 2.67 2.66 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 0.00 0.00 0.00 0.00 47 E 9.07 3.92 0.00 2.07 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 2.40 2.47 0.00 48 E 8.14 3.92 0.00 1.95 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 2.38 2.32 0.00 49 I 8.17 3.78 2.04 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 1.54 0.91 1.14 0.00 0.00 50 A 8.41 3.98 1.38 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 0.00 0.00 0.00 0.00 0.00 0.00 51 K 8.06 3.89 0.00 1.91 1.90 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.41 7.81 52 R 8.35 3.67 0.00 1.60 1.65 0.00 2.92 0.00 0.00 2.96 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.15 0.00 53 Y 7.67 4.65 0.00 2.97 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 54 G 7.72 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 55 L 8.27 4.46 0.00 1.51 1.44 0.64 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 56 R 8.42 4.42 0.00 1.90 1.92 0.00 3.30 0.00 0.00 3.28 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 57 S 8.00 4.28 0.00 3.82 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 58 G 8.41 4.33 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 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2.77 2.91 0.00 0.00 6.83 7.47 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 68 I 7.48 4.33 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 1.29 1.16 0.90 0.00 0.00 69 S 8.30 4.83 0.00 3.90 3.76 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 70 K 7.52 4.69 0.00 1.61 1.63 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.44 7.81 71 R 8.71 4.41 0.00 1.98 1.89 0.00 3.16 0.00 0.00 3.18 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 72 M 7.90 5.47 0.00 1.92 1.89 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 2.58 2.53 0.00 73 I 8.93 5.18 1.85 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 1.23 1.38 0.93 0.00 0.00 74 A 9.06 5.22 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 75 V 9.02 4.54 1.77 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 0.74 0.00 0.00 0.02 0.00 0.00 76 L 9.29 5.00 0.00 1.74 1.50 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 I 9.20 4.79 2.24 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.69 1.21 0.00 0.00 78 P 0.00 4.75 0.00 2.10 2.08 0.00 3.91 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.00 0.00 79 D 9.04 5.10 0.00 2.74 2.64 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 80 D 8.84 4.76 0.00 2.86 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 81 G 8.67 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.32 4.46 0.00 4.00 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 83 G 8.83 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 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118 V 8.30 4.30 2.49 0.00 0.00 0.00 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 1.05 0.00 0.00 119 A 10.03 4.64 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 0.00 120 G 8.41 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 8.59 4.18 0.00 1.57 1.29 0.53 0.74 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 0.00 122 V 8.19 4.42 2.29 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 0.96 0.00 0.00 1.26 0.00 0.00 123 H 8.74 4.88 0.00 3.02 3.34 0.00 5.89 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 R 9.15 4.64 0.00 1.63 1.97 0.00 3.10 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 125 H 8.74 4.62 0.00 3.19 3.37 0.00 5.67 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 0.00 126 N 9.42 4.55 0.00 2.86 2.83 0.00 0.00 6.71 8.50 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 0.00 127 R 7.99 5.28 0.00 1.76 1.74 0.00 3.13 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 128 I 8.77 5.13 1.84 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 1.16 1.17 0.93 0.00 0.00 129 T 8.83 5.03 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 1.20 0.00 0.00 130 I 8.76 4.96 1.62 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.72 0.87 0.00 0.00 131 K 8.63 5.07 0.00 1.66 1.66 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.32 1.32 7.81 132 A 8.71 4.89 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 K 9.05 5.09 0.00 1.65 1.71 0.00 1.89 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.50 7.81 134 D 8.80 5.07 0.00 2.83 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 8.52 3.63 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.83 0.93 0.00 0.00 136 E 8.42 4.31 0.00 2.12 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 2.27 2.24 0.00 137 G 8.45 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 N 8.47 4.70 0.00 3.11 2.77 0.00 0.00 6.97 8.76 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 0.00 139 D 8.29 5.25 0.00 2.56 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 I 8.78 4.70 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 1.16 1.08 0.92 0.00 0.00 141 Q 8.68 4.83 0.00 1.97 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 6.73 0.00 0.00 0.00 0.00 0.00 2.16 2.47 0.00 142 L 8.79 4.63 0.00 1.18 1.13 -0.38 0.21 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 0.00 143 R 8.42 4.96 0.00 1.63 1.80 0.00 3.13 0.00 0.00 3.20 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 144 L 8.95 5.05 0.00 1.36 1.34 0.09 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 145 K 8.29 4.89 0.00 1.70 1.72 0.00 1.71 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.33 1.47 7.81 146 G 9.34 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 Y 8.86 4.11 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 0.00 148 P 0.00 3.80 0.00 1.69 0.83 0.00 3.84 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.90 0.00 149 A 7.80 3.97 1.29 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 0.00 150 I 7.72 3.60 1.88 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 1.60 0.86 0.89 0.00 0.00 151 V 7.50 3.32 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.17 0.00 0.00 152 F 8.34 3.96 0.00 3.07 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 0.00 153 Q 8.32 4.04 0.00 2.31 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 154 H 8.18 4.05 0.00 3.13 3.44 0.00 5.95 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 0.00 155 E 8.31 4.21 0.00 1.96 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 2.39 2.35 0.00 156 I 8.20 3.77 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 1.58 0.85 0.94 0.00 0.00 157 D 8.30 4.35 0.00 2.86 2.83 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 0.00 158 H 7.94 4.14 0.00 3.39 3.32 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 8.32 4.26 0.00 1.79 1.72 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 160 N 7.91 4.86 0.00 2.77 2.79 0.00 0.00 6.97 8.19 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 0.00 161 G 7.85 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 V 7.77 4.34 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 0.81 0.00 0.00 0.92 0.00 0.00 163 M 8.28 4.46 0.00 1.28 0.79 0.00 0.00 0.00 0.00 0.00 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 164 F 8.67 4.20 0.00 3.33 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 0.00 165 Y 6.12 4.03 0.00 2.95 2.53 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 0.00 166 D 7.34 4.34 0.00 2.39 2.58 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 0.00 167 H 7.84 4.60 0.00 3.33 3.37 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 6.97 4.23 2.05 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 1.57 0.98 0.95 0.00 0.00 169 D 8.56 4.54 0.00 2.71 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 0.00 170 K 8.66 4.03 0.00 1.69 1.83 0.00 1.64 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.41 1.47 7.81 171 N 8.06 4.59 0.00 2.69 2.71 0.00 0.00 7.18 7.89 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 0.00 172 H 8.68 4.07 0.00 3.40 3.26 0.00 5.88 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 P 0.00 4.31 0.00 2.23 2.51 0.00 3.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.00 0.00 174 L 7.85 4.40 0.00 1.67 1.75 0.94 0.90 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 0.00 175 Q 7.74 4.55 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.96 6.86 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 176 P 0.00 4.01 0.00 1.98 1.56 0.00 3.62 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 2.02 1.76 0.00 177 H 8.40 4.44 0.00 3.06 3.12 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 T 8.19 4.09 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 1.22 0.00 0.00 179 D 8.94 4.67 0.00 2.88 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 0.00 180 A 7.80 4.57 1.51 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 0.00 181 V 8.66 4.43 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 0.71 0.00 0.00 0.94 0.00 0.00 182 E 8.53 3.08 0.00 1.85 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.09 0.00 183 V 8.01 3.78 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 0.79 0.00 0.00 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.