NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.4386 8.3649 120.3046 53.0150 40.2223 177.3723 6 F 4.9127 9.1427 111.4023 55.8844 40.7700 171.9662 7 E 4.8717 9.5717 124.5904 54.5748 32.1691 174.0957 8 E 5.2237 8.7026 123.1019 54.4545 32.9201 174.5733 9 K 4.7786 8.9572 123.3220 54.7376 35.8256 174.3232 10 M 4.7987 8.5363 123.7531 54.5201 32.3179 175.9496 11 I 4.0848 9.3130 125.9848 63.6502 37.5925 176.0170 12 L 4.7530 7.5913 120.1046 54.6844 43.5686 173.2813 13 I 5.9398 8.6056 113.1731 58.3481 40.3281 174.5936 14 R 4.7866 8.7339 120.3765 54.5880 33.5360 173.9752 15 R 4.4968 8.5688 121.2878 54.8455 31.0183 175.6071 16 T 4.5032 8.2138 117.3144 61.1285 71.0502 173.1787 17 A 4.7726 8.2311 121.6884 50.3313 22.3786 175.4912 18 R 4.5894 8.6319 120.4560 54.7325 33.7152 174.0763 19 M 4.8999 8.4685 123.9637 54.1470 33.7607 175.3214 20 Q 4.4099 8.9711 122.2208 53.8488 32.6710 173.7365 21 A 4.1364 8.5186 125.2992 54.2962 18.5766 177.4958 22 G 3.9935 8.6274 111.2652 44.3198 0.0000 174.0081 23 G 3.8172 7.6613 106.5375 44.6846 0.0000 171.6766 24 R 4.5351 7.7420 118.8205 55.5489 31.5620 176.7542 25 R 4.2595 8.5380 120.9556 54.4904 33.5254 175.2056 26 F 5.1943 8.5471 122.4145 56.2370 41.0120 174.9560 27 R 4.8514 7.8851 119.5348 55.0297 35.2093 174.2095 28 F 5.2637 9.4254 118.6808 55.7215 43.1889 174.5233 29 G 4.6423 9.4356 108.7195 44.3804 0.0000 171.5095 30 A 5.4697 9.4314 126.3801 49.9909 22.2858 174.4418 31 L 5.2168 9.4784 125.5993 53.6531 43.9064 175.3080 32 V 4.8556 9.4463 126.9214 61.0935 34.8466 174.1415 33 V 4.8815 9.0167 127.8876 61.2198 33.9344 174.7466 34 V 4.8639 8.5210 125.9669 60.2883 35.0505 174.6409 35 G 4.8422 9.1290 110.1026 45.5525 0.0000 172.6345 36 D 5.1086 8.5745 116.2690 52.1685 40.2246 176.1094 37 R 4.1738 8.6888 118.2214 57.5337 28.0671 176.7289 38 Q 4.2698 9.1986 115.8635 55.5902 30.1876 176.1317 39 G 3.9585 9.1744 106.0929 45.0477 0.0000 173.5056 40 R 5.0799 8.0695 118.5007 54.3810 33.1603 174.9392 41 V 4.8921 8.5520 116.4953 59.6035 36.5453 174.9999 42 G 4.7524 8.9503 109.7055 44.3475 0.0000 171.0175 43 L 5.1688 8.3994 124.3541 52.9722 45.0496 175.2587 44 G 4.3733 9.1884 112.1933 44.6185 0.0000 171.0643 45 F 5.6863 9.2456 127.1813 56.6114 41.0408 173.9024 46 G 4.4758 9.1044 113.4456 44.2835 0.0000 170.6631 47 K 5.7245 8.4458 120.1777 53.5706 35.8868 175.1369 48 A 4.5072 8.2716 122.3944 50.8426 21.9847 175.6278 49 P 4.3650 0.0000 0.0000 64.9299 31.8959 177.3281 50 E 4.5267 7.8364 117.1723 53.2142 34.0661 175.2209 51 V 3.2822 7.5483 123.9476 65.8785 31.3243 176.3063 52 P 4.1500 0.0000 0.0000 65.8258 31.3288 178.3228 53 L 4.0946 7.8545 116.5685 57.6158 40.6023 178.7969 54 A 3.9775 7.7793 122.5775 55.3483 18.4235 179.6314 55 V 3.5633 8.3090 117.0957 66.1556 31.5779 177.7913 56 Q 3.9178 8.1953 119.3255 59.1987 28.9883 177.9231 57 K 3.6694 8.6792 120.6554 59.5608 32.0569 178.4246 58 A 4.3059 8.3405 121.0793 55.2698 18.5298 179.6222 59 G 3.6856 8.2115 104.2112 48.1851 0.0000 174.8440 60 Y 4.0927 7.7552 120.6913 60.8554 39.1617 177.5805 61 Y 4.2426 7.7760 117.0811 60.9912 37.8814 178.3454 62 A 4.2478 8.0934 122.9086 54.8955 18.2885 179.8829 63 R 3.4015 7.5610 114.4971 59.1180 30.2211 178.6176 64 R 4.0904 7.4435 116.3229 56.8964 31.7339 175.4152 65 N 5.0229 8.4868 117.4617 52.8622 37.9096 173.4239 66 M 4.7813 7.7192 119.3950 54.9012 34.3191 177.5734 67 V 4.2960 9.0974 122.3415 61.1039 35.0721 174.2629 68 E 4.4001 8.8386 129.0901 55.1805 29.6173 175.0855 69 V 3.9527 8.8948 129.0134 60.8751 32.5584 174.4590 70 P 4.8323 0.0000 0.0000 61.8489 29.0838 175.9481 71 L 4.2142 7.5896 124.4358 56.1612 42.6961 177.9049 72 Q 4.1870 8.7792 120.3736 55.4996 30.8603 174.6036 73 N 4.1466 9.7781 124.8102 54.4493 37.5007 175.2515 74 G 3.9325 8.3619 104.6693 45.3952 0.0000 172.8029 75 T 4.8296 7.5407 113.1518 59.0799 70.3310 172.4501 76 I 4.5317 7.9233 122.2349 59.5676 38.2032 174.7663 77 P 4.4833 0.0000 0.0000 65.5878 31.5477 175.2472 78 H 4.6218 7.1966 112.1732 54.8385 30.8412 173.2177 79 E 4.9988 8.7613 118.1912 55.7764 30.2956 176.7188 80 I 4.7848 8.2291 122.4383 59.5797 42.1003 173.7125 81 E 4.9964 8.8443 125.5052 54.5303 32.0610 174.8258 82 V 4.5695 8.7813 126.6992 61.0678 35.0374 173.7705 83 E 5.1347 8.8933 126.0195 54.5426 32.0255 175.2845 84 F 4.6833 9.4756 126.9439 57.0833 41.7702 175.3969 85 G 3.6046 7.9917 120.6173 46.8425 0.0000 173.1169 86 A 4.5476 8.5837 128.3488 51.5030 19.6647 176.0442 87 S 5.2606 7.8746 114.0430 56.4318 64.9415 173.2738 88 K 5.0638 9.0900 125.5424 54.5430 35.4117 174.4200 89 I 4.9756 9.0027 126.8106 59.1209 41.5910 174.0022 90 V 4.8539 8.6768 128.1740 61.1224 34.3181 173.9267 91 L 5.2344 8.8672 127.9473 52.7799 44.6946 175.4546 92 K 4.9448 9.2148 124.8838 53.5400 35.3641 173.6427 93 P 4.7102 0.0000 0.0000 63.2469 31.8053 175.3124 94 A 4.8697 8.6880 122.6527 49.9487 22.5319 175.7964 95 A 4.2273 8.4542 122.0960 50.8398 19.4243 175.7420 96 P 5.0289 0.0000 0.0000 63.5021 31.7961 177.5745 97 G 4.0312 8.8914 109.5870 45.8436 0.0000 175.0070 98 T 3.8730 7.4696 116.3223 64.8486 68.8455 175.6363 99 G 3.7005 9.7287 109.8442 43.5171 0.0000 171.8709 100 V 4.2447 7.9019 118.9614 61.5500 31.7077 175.9729 101 I 4.2708 8.6493 129.1730 60.3542 36.9719 174.6393 102 A 4.9163 7.4367 126.2469 51.3562 22.2233 176.0284 103 G 3.6826 8.6326 107.9604 44.9680 0.0000 174.6272 104 A 3.9589 8.8306 122.4813 55.6692 18.0042 180.1825 105 V 3.5323 7.7688 116.1850 65.4998 31.8229 176.2153 106 P 4.3216 0.0000 0.0000 65.1587 31.1032 178.3615 107 R 3.7940 8.1368 119.1241 59.3439 30.0983 177.7746 108 A 3.9813 7.8337 120.4960 55.5490 17.8486 179.5055 109 I 3.6113 7.4513 117.8668 64.5539 37.1878 178.7771 110 L 3.9750 7.9835 119.5000 57.8387 41.4384 179.2120 111 E 4.1211 8.7377 118.8237 59.6800 29.4129 179.5407 112 L 4.0447 8.1481 117.8468 56.7838 41.6281 178.4038 113 A 4.3256 7.6201 119.0357 52.0543 18.4148 178.0800 114 G 3.9531 8.0987 105.0320 46.9632 0.0000 173.8039 115 V 4.0175 7.6102 118.9429 61.9243 32.0480 175.5736 116 T 4.4795 9.2666 120.0686 62.0050 69.4784 173.0058 117 D 5.2017 7.6606 120.4971 52.8032 44.8244 174.3365 118 I 4.4018 8.8538 121.9991 60.0894 42.3691 172.6418 119 L 5.1644 8.7712 128.3274 53.3262 44.1197 175.7266 120 T 5.6410 8.3051 111.9147 59.6022 73.3894 172.3898 121 K 4.5570 8.2712 119.9112 55.5746 35.6954 173.4964 122 E 5.0313 8.8524 126.9398 55.0500 30.8522 175.2218 123 L 4.6361 8.8321 124.2070 53.3827 45.8319 177.4738 124 G 3.8084 8.6515 107.3192 45.7962 0.0000 173.3740 125 S 4.1144 8.6741 116.5998 58.8393 62.6874 175.4361 126 R 4.3581 8.5201 125.9302 56.1685 30.1339 176.1689 127 N 4.1570 7.9781 117.8162 53.7563 39.6119 172.8831 128 P 4.1737 0.0000 0.0000 66.0701 31.5041 178.1692 129 I 3.5251 7.7315 117.4159 64.8099 36.9728 178.1864 130 N 4.4639 8.1528 116.4096 56.1935 38.2502 177.5791 131 I 3.6894 8.4061 121.4343 64.6452 37.2169 177.6651 132 A 3.9539 8.5750 121.5260 55.8946 18.1462 179.0137 133 Y 3.7761 8.6536 113.7258 60.9538 37.8225 179.3443 134 A 3.9432 8.0893 121.7148 55.3713 18.4807 179.5418 135 T 3.7693 8.0831 114.5342 67.2014 68.5263 176.2978 136 M 3.9094 7.7950 120.2401 58.7323 31.8054 178.6583 137 E 3.8629 7.8377 116.6516 59.3514 29.9153 178.9330 138 A 4.1359 8.0277 120.6427 55.2778 18.3765 179.4853 139 L 3.8654 8.0117 117.0494 58.1448 41.6337 179.8552 140 R 3.8468 8.3918 117.0760 58.9118 29.9621 177.3020 141 Q 4.4650 7.7185 115.1858 54.6596 29.6217 175.7956 142 L 3.9914 7.5721 121.7348 55.0974 42.0088 176.9243 143 R 4.6512 8.6977 121.7132 54.7938 33.0497 175.2574 144 T 4.7306 8.1964 111.4808 59.3085 71.7449 174.0760 145 K 3.8144 8.6653 125.5530 59.6785 32.1668 178.5481 146 A 4.1424 8.0548 120.2611 55.5682 18.2349 179.0311 147 D 4.3245 8.0450 116.5815 57.5358 40.8341 179.2094 148 V 3.5780 8.1919 119.1602 66.0512 31.4915 177.9882 149 E 3.9599 8.6015 117.7248 59.1983 29.0614 179.1363 150 R 3.8880 7.7471 119.1227 59.3251 30.2760 178.1480 151 L 4.1513 7.8590 117.5618 57.6139 41.7663 178.9271 152 R 4.3177 8.0057 114.9687 56.3652 30.3428 178.1984 153 K 4.1883 7.7605 120.9338 58.0857 33.5253 176.3396 154 G 3.7033 7.8932 110.5546 46.4749 0.0000 173.6256 *155 E 4.1319 8.1624 118.7041 56.4147 30.4399 176.2272 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 5 D 8.36 4.44 0.00 2.38 2.27 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 6 F 9.14 4.91 0.00 3.07 2.87 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 7 E 9.57 4.87 0.00 2.04 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 2.25 2.26 0.00 8 E 8.70 5.22 0.00 2.06 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 2.20 2.30 0.00 9 K 8.96 4.78 0.00 1.82 1.63 0.00 1.62 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.35 7.81 10 M 8.54 4.80 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.58 0.00 11 I 9.31 4.08 1.95 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 1.29 0.80 0.91 0.00 0.00 12 L 7.59 4.75 0.00 1.68 1.74 0.90 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 I 8.61 5.94 2.01 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 1.08 1.09 0.99 0.00 0.00 14 R 8.73 4.79 0.00 1.91 2.08 0.00 3.00 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 15 R 8.57 4.50 0.00 1.61 1.75 0.00 2.21 0.00 0.00 2.85 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.52 0.00 16 T 8.21 4.50 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 17 A 8.23 4.77 1.09 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 0.00 0.00 18 R 8.63 4.59 0.00 1.80 1.78 0.00 3.04 0.00 0.00 3.13 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.50 0.00 19 M 8.47 4.90 0.00 1.88 1.91 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 20 Q 8.97 4.41 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.89 0.00 0.00 0.00 0.00 0.00 2.22 2.41 0.00 21 A 8.52 4.14 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 22 G 8.63 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 23 G 7.66 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 0.00 0.00 0.00 24 R 7.74 4.54 0.00 1.11 1.33 0.00 3.16 0.00 0.00 3.18 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 25 R 8.54 4.26 0.00 1.53 1.70 0.00 3.06 0.00 0.00 3.13 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 26 F 8.55 5.19 0.00 2.70 2.74 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 27 R 7.89 4.85 0.00 1.72 1.75 0.00 3.05 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.61 0.00 28 F 9.43 5.26 0.00 3.04 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 9.44 4.64 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 30 A 9.43 5.47 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 31 L 9.48 5.22 0.00 1.86 1.59 0.88 0.78 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 32 V 9.45 4.86 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 1.09 0.00 0.00 1.00 0.00 0.00 33 V 9.02 4.88 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 0.87 0.00 0.00 0.91 0.00 0.00 34 V 8.52 4.86 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 0.41 0.00 0.00 0.94 0.00 0.00 35 G 9.13 4.84 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 36 D 8.57 5.11 0.00 2.83 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 37 R 8.69 4.17 0.00 2.04 2.06 0.00 3.25 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 38 Q 9.20 4.27 0.00 2.23 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.30 2.52 0.00 39 G 9.17 3.96 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 0.00 0.00 0.00 40 R 8.07 5.08 0.00 2.28 1.91 0.00 3.15 0.00 0.00 3.66 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.77 0.00 41 V 8.55 4.89 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 0.86 0.00 0.00 0.87 0.00 0.00 42 G 8.95 4.75 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 43 L 8.40 5.17 0.00 1.52 1.24 0.68 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.19 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 0.00 0.00 0.00 45 F 9.25 5.69 0.00 3.01 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 46 G 9.10 4.48 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 0.00 47 K 8.45 5.72 0.00 1.48 1.61 0.00 0.88 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.05 0.74 7.81 48 A 8.27 4.51 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 49 P 0.00 4.37 0.00 2.12 2.22 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 50 E 7.84 4.53 0.00 2.00 1.67 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 2.17 2.23 0.00 51 V 7.55 3.28 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 0.74 0.00 0.00 0.11 0.00 0.00 52 P 0.00 4.15 0.00 2.13 2.08 0.00 3.48 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 53 L 7.85 4.09 0.00 1.85 1.89 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 54 A 7.78 3.98 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 55 V 8.31 3.56 2.24 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 1.01 0.00 0.00 0.98 0.00 0.00 56 Q 8.20 3.92 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.49 0.00 0.00 0.00 0.00 0.00 2.31 2.35 0.00 57 K 8.68 3.67 0.00 2.00 1.99 0.00 1.96 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.31 7.81 58 A 8.34 4.31 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 G 8.21 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 60 Y 7.76 4.09 0.00 2.77 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 61 Y 7.78 4.24 0.00 3.24 2.91 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 62 A 8.09 4.25 1.41 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 63 R 7.56 3.40 0.00 1.89 2.06 0.00 3.22 0.00 0.00 3.30 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 64 R 7.44 4.09 0.00 1.79 1.84 0.00 2.54 0.00 0.00 2.91 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 65 N 8.49 5.02 0.00 2.73 2.68 0.00 0.00 7.04 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 66 M 7.72 4.78 0.00 1.89 1.94 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 67 V 9.10 4.30 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 0.90 0.00 0.00 0.85 0.00 0.00 68 E 8.84 4.40 0.00 1.99 1.88 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 2.25 2.36 0.00 69 V 8.89 3.95 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.90 0.00 0.00 70 P 0.00 4.83 0.00 2.21 2.07 0.00 3.81 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 71 L 7.59 4.21 0.00 1.65 1.65 0.99 0.98 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 72 Q 8.78 4.19 0.00 2.06 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.26 0.00 0.00 0.00 0.00 0.00 2.28 2.47 0.00 73 N 9.78 4.15 0.00 2.80 2.83 0.00 0.00 7.34 7.98 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 74 G 8.36 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 0.00 0.00 0.00 75 T 7.54 4.83 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 76 I 7.92 4.53 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 1.43 0.50 0.87 0.00 0.00 77 P 0.00 4.48 0.00 2.20 2.17 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.95 0.00 78 H 7.20 4.62 0.00 3.08 3.30 0.00 5.72 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.76 5.00 0.00 1.89 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 2.26 0.00 80 I 8.23 4.78 1.89 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 0.58 0.96 0.00 0.00 81 E 8.84 5.00 0.00 1.93 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 2.19 2.27 0.00 82 V 8.78 4.57 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 1.01 0.00 0.00 0.98 0.00 0.00 83 E 8.89 5.13 0.00 1.89 1.85 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 2.22 2.28 0.00 84 F 9.48 4.68 0.00 2.99 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 85 G 7.99 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.58 4.55 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 87 S 7.87 5.26 0.00 4.00 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 88 K 9.09 5.06 0.00 1.79 1.73 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 9.00 4.98 1.89 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 1.12 1.60 0.92 0.00 0.00 90 V 8.68 4.85 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 0.93 0.00 0.00 0.94 0.00 0.00 91 L 8.87 5.23 0.00 1.60 1.51 0.90 0.16 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 92 K 9.21 4.94 0.00 1.73 1.69 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.36 7.81 93 P 0.00 4.71 0.00 2.11 2.23 0.00 3.77 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 1.99 1.99 0.00 94 A 8.69 4.87 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 95 A 8.45 4.23 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 96 P 0.00 5.03 0.00 2.05 2.00 0.00 3.73 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.04 0.00 97 G 8.89 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 T 7.47 3.87 4.26 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 1.21 0.00 0.00 99 G 9.73 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.90 4.24 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 0.83 0.00 0.00 0.99 0.00 0.00 101 I 8.65 4.27 1.99 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 1.16 1.02 0.91 0.00 0.00 102 A 7.44 4.92 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 0.00 103 G 8.63 3.68 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 0.00 104 A 8.83 3.96 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 0.00 105 V 7.77 3.53 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.92 0.00 0.00 106 P 0.00 4.32 0.00 2.29 2.29 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 2.26 2.11 0.00 107 R 8.14 3.79 0.00 1.92 2.12 0.00 3.11 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.71 0.00 108 A 7.83 3.98 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 0.00 109 I 7.45 3.61 1.84 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.15 0.85 0.00 0.00 110 L 7.98 3.98 0.00 1.88 1.69 0.96 0.70 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 0.00 111 E 8.74 4.12 0.00 1.96 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 2.33 2.52 0.00 112 L 8.15 4.04 0.00 1.74 1.76 0.97 0.75 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 0.00 113 A 7.62 4.33 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 0.00 114 G 8.10 3.95 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 0.00 0.00 0.00 115 V 7.61 4.02 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 0.82 0.00 0.00 0.95 0.00 0.00 116 T 9.27 4.48 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 1.26 0.00 0.00 117 D 7.66 5.20 0.00 2.57 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 0.00 118 I 8.85 4.40 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 1.22 1.26 0.90 0.00 0.00 119 L 8.77 5.16 0.00 1.61 1.54 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.31 5.64 4.31 0.00 0.00 0.00 0.00 0.00 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 0.00 121 K 8.27 4.56 0.00 1.86 1.64 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.51 7.81 122 E 8.85 5.03 0.00 1.89 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 2.24 2.32 0.00 123 L 8.83 4.64 0.00 1.54 1.53 0.93 0.61 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 0.00 124 G 8.65 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 0.00 0.00 0.00 125 S 8.67 4.11 0.00 3.80 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 0.00 126 R 8.52 4.36 0.00 1.84 1.93 0.00 3.56 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 127 N 7.98 4.16 0.00 2.76 2.71 0.00 0.00 7.18 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 0.00 128 P 0.00 4.17 0.00 2.14 2.09 0.00 3.64 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.20 0.00 129 I 7.73 3.53 1.80 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 1.01 -0.09 0.40 0.00 0.00 130 N 8.15 4.46 0.00 2.78 3.19 0.00 0.00 7.12 7.38 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 0.00 131 I 8.41 3.69 2.08 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 1.61 1.19 0.97 0.00 0.00 132 A 8.57 3.95 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 0.00 133 Y 8.65 3.78 0.00 2.02 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.09 3.94 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 0.00 135 T 8.08 3.77 4.38 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 1.18 0.00 0.00 136 M 7.79 3.91 0.00 1.89 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.74 0.00 137 E 7.84 3.86 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 138 A 8.03 4.14 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 0.00 139 L 8.01 3.87 0.00 1.80 1.70 0.88 0.74 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 0.00 140 R 8.39 3.85 0.00 1.75 2.18 0.00 3.50 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 141 Q 7.72 4.47 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 142 L 7.57 3.99 0.00 1.68 1.55 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 143 R 8.70 4.65 0.00 1.82 1.88 0.00 3.32 0.00 0.00 3.17 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 144 T 8.20 4.73 4.51 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 1.26 0.00 0.00 145 K 8.67 3.81 0.00 1.87 1.81 0.00 1.79 0.00 0.00 1.82 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.53 7.81 146 A 8.05 4.14 1.33 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 0.00 0.00 147 D 8.04 4.32 0.00 2.93 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 0.00 148 V 8.19 3.58 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.98 0.00 0.00 149 E 8.60 3.96 0.00 2.20 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 0.00 2.62 2.39 0.00 150 R 7.75 3.89 0.00 1.98 2.14 0.00 3.27 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 L 7.86 4.15 0.00 1.81 1.72 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 152 R 8.01 4.32 0.00 1.76 1.96 0.00 3.16 0.00 0.00 3.15 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 153 K 7.76 4.19 0.00 1.98 1.94 0.00 1.95 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 154 G 7.89 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *155 E 8.16 4.13 0.00 1.75 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.