NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0998 8.0549 120.3919 62.5236 32.5359 175.1291 2 L 4.0799 8.3323 127.3852 52.4452 42.5177 175.8808 3 S 4.5643 8.9692 117.7031 57.5925 66.4214 174.8288 4 E 4.2952 8.8156 122.5924 59.4711 29.4132 179.0758 5 G 3.6363 8.0931 105.3635 47.8145 0.0000 175.4093 6 E 3.9136 8.0277 120.9145 58.9588 29.4498 179.4194 7 W 4.3961 8.1266 118.9639 60.0299 29.0323 178.6316 8 Q 4.2348 8.5584 118.1166 58.9095 27.7706 178.7632 9 L 4.0789 7.9467 119.7646 57.5224 41.5865 179.7581 10 V 3.7616 7.8265 118.3271 66.2353 31.6149 178.2746 11 L 4.2579 8.6220 119.0697 57.8768 41.1752 179.0127 12 H 4.4243 8.4511 118.3372 59.1022 30.1022 177.3366 13 V 3.7614 7.7965 120.7724 64.2445 31.4883 178.2408 14 W 3.8694 8.4890 128.8613 60.0141 30.2533 177.7570 15 A 4.0394 7.9316 120.3049 54.9511 18.0366 179.4542 16 K 3.9518 7.7818 117.1827 59.3502 32.1273 179.5804 17 V 2.7083 7.1009 117.9983 65.7245 31.0431 177.3195 18 E 3.9898 7.6019 115.4063 57.7990 29.2860 178.4745 19 A 4.2050 7.5763 121.1887 54.1845 19.7805 177.6805 20 D 4.6689 7.7997 115.2238 52.2420 43.3746 175.7985 21 V 3.4271 7.8447 123.9257 64.2067 31.7289 178.1709 22 A 4.0425 8.0257 121.0033 54.9923 18.4107 179.6857 23 G 3.6150 8.3342 105.4557 47.7428 0.0000 175.6455 24 H 4.1098 8.1533 118.4155 58.3738 28.6058 178.0857 25 G 3.3298 8.1612 107.6989 47.7243 0.0000 175.7008 26 Q 4.1302 7.9317 120.3917 58.9211 28.7729 178.6531 27 D 4.3335 7.8156 119.3070 57.4305 40.7489 179.0159 28 I 3.5587 7.6391 120.1836 63.9916 37.0244 178.5105 29 W 4.0253 7.8572 119.7896 59.7854 28.9009 178.5754 30 I 3.7684 7.8155 119.6634 64.3923 36.5677 178.4962 31 R 3.7982 8.0314 119.4572 59.1894 29.8336 178.2845 32 L 3.9205 8.0594 120.3885 58.4179 42.0737 179.1067 33 F 4.6148 8.2495 117.8374 60.1958 38.5174 177.7729 34 K 4.0916 7.8578 117.6226 59.1846 32.1892 179.1176 35 S 4.2842 7.9562 114.5272 60.4060 64.1918 174.5246 36 H 4.7188 8.3090 118.6785 51.8549 29.5877 171.6639 37 P 4.6529 0.0000 0.0000 64.6889 31.3187 177.4640 38 E 4.1014 8.2762 116.1137 59.5811 29.4438 179.2111 39 T 3.7533 7.9656 110.8776 64.4956 68.8009 176.3092 40 L 3.7923 8.0924 123.1551 57.8431 41.7553 178.6888 41 E 4.0936 7.8488 117.8227 58.8725 29.4138 178.8813 42 K 4.4048 8.0143 116.9879 57.1966 32.5841 177.4997 43 F 4.5444 8.0553 119.0088 55.7129 39.0267 175.9571 44 D 4.3014 8.4524 124.5864 56.9536 40.9822 178.3792 45 R 3.8370 7.6482 117.8138 57.7645 30.4282 176.4298 46 F 4.9970 7.4849 113.7286 56.6735 40.7253 176.4240 47 K 4.0676 8.3109 120.4028 58.7639 32.2924 177.5376 48 H 4.4182 8.0296 114.4458 57.0312 29.1811 175.5286 49 L 4.0203 7.3673 121.2356 55.1370 41.5008 176.9733 50 K 4.2488 9.1876 124.2459 57.6571 33.1198 177.0229 51 T 4.7483 7.3005 107.6687 58.8382 73.3516 174.2238 52 E 3.9428 8.6473 120.5445 59.2151 29.5753 178.3612 53 A 3.9995 7.9505 120.4128 55.3041 18.2789 179.3350 54 E 3.9175 7.8417 115.4444 59.6849 29.6729 179.1633 55 M 4.1292 8.1004 118.7368 58.3553 31.8467 178.7586 56 K 3.9495 8.3121 118.6115 59.3117 32.4821 178.1423 57 A 4.3993 7.9710 118.9735 52.4405 18.7911 177.2156 58 S 4.2243 7.4867 113.3858 57.5560 62.4024 174.3312 59 E 4.0152 8.8425 129.7532 59.3904 29.3957 178.2355 60 D 4.4637 8.1184 118.6884 57.2434 41.0402 178.2750 61 L 2.9957 7.9412 120.9598 57.4673 42.0718 178.9165 62 K 4.0306 8.0468 119.6673 59.5974 32.1919 178.9075 63 K 4.0583 8.3024 118.8294 59.8686 31.8860 178.8591 64 H 4.5557 8.8376 118.8275 59.1328 29.6970 177.5788 65 G 3.6715 8.6203 107.9061 47.6887 0.0000 175.8947 66 V 3.6023 7.8334 120.1583 66.0336 31.5504 178.2572 67 T 3.9151 7.9236 115.5006 66.6162 68.2855 176.7397 68 V 3.5991 8.1101 120.2961 66.2469 31.5962 178.1833 69 L 4.1536 8.1869 118.8552 57.9982 41.3974 179.7500 70 T 4.0256 8.2357 115.8323 66.4362 68.4289 176.7040 71 A 4.0046 8.0753 122.8496 55.0569 18.3419 179.4755 72 L 3.7205 8.1965 119.1766 58.0227 42.0811 179.3639 73 G 3.1949 8.4525 105.9107 47.6435 0.0000 175.4961 74 A 3.9719 7.8425 122.1582 54.8135 18.6501 179.5997 75 I 3.7748 7.3691 117.8422 64.5361 37.1884 178.6278 76 L 3.9661 7.7886 120.0056 57.7278 41.1919 179.7089 77 K 3.9305 7.8134 116.9739 58.5785 32.2310 178.8273 78 K 3.9433 7.7811 118.1646 56.1363 32.4952 176.6927 79 K 2.0000 8.2673 118.3031 56.3740 29.8889 175.1326 80 G 3.9716 7.8645 105.8741 45.9162 0.0000 174.0874 81 H 4.7543 7.3893 118.8048 55.5021 27.7085 175.5128 82 H 5.5527 7.1564 112.6572 54.8155 29.6237 175.9860 83 E 3.9797 8.3041 122.8989 60.4393 29.0824 178.8959 84 A 4.0296 7.9113 118.5408 55.3192 17.3263 179.1058 85 E 4.1027 8.1441 116.5995 59.4253 29.6192 179.3286 86 L 4.3625 8.2421 119.0961 57.2019 41.6495 179.1938 87 K 3.8941 7.8390 119.2213 59.2808 32.0746 177.4286 88 P 4.3341 0.0000 0.0000 65.6422 31.2975 178.2034 89 L 3.9954 7.5488 119.6026 58.0476 42.0591 178.8115 90 A 4.1944 8.5099 121.2091 55.1484 18.2851 179.3945 91 Q 3.9299 8.2673 118.3573 59.3995 29.1231 178.7052 92 S 4.0488 8.1639 115.3617 61.8521 63.1493 176.1264 93 H 4.2345 8.7158 119.4585 57.7805 28.2063 177.6551 94 A 2.8286 7.9047 122.1982 54.6727 18.7007 179.2736 95 T 3.8640 7.4822 112.4850 65.6895 68.9297 176.2526 96 K 4.0689 7.4607 119.6834 58.9677 32.8438 177.3892 97 H 4.2391 8.0456 115.2344 56.5397 29.3230 175.6908 98 K 3.1864 7.4614 117.0556 56.9679 28.5588 174.7862 99 I 4.3455 8.1977 118.6331 58.8022 38.5263 174.9776 100 P 4.4448 0.0000 0.0000 62.0673 32.0925 177.7221 101 I 3.7486 8.3297 121.3837 64.5163 36.8935 178.5506 102 K 3.8381 7.9357 119.9875 59.8227 31.9805 178.2848 103 Y 4.2121 7.8736 116.7989 60.8824 37.8015 178.1651 104 L 4.2670 7.9243 119.6723 57.6865 41.7809 179.1499 105 E 4.0660 8.2702 118.9188 59.2498 29.3512 179.3053 106 F 4.5509 7.8754 117.9266 60.8478 38.9553 177.6464 107 I 3.8742 8.2084 118.1646 64.0426 37.7646 178.1050 108 S 4.1710 8.3347 116.4032 61.4703 62.6292 176.1850 109 E 4.0311 8.5616 121.9039 59.1975 29.4054 178.7816 110 A 3.9999 8.0908 120.9016 55.0924 18.4461 179.6085 111 I 3.6013 7.9997 118.5165 64.7216 37.1476 178.7686 112 I 3.7750 7.8859 120.5438 64.5370 36.9335 178.0060 113 H 4.1060 8.4492 119.1821 59.2953 29.7178 177.5691 114 V 3.5476 7.8987 120.0243 65.9610 31.2762 178.0234 115 L 3.7792 7.7794 118.7920 57.7889 41.0299 178.9231 116 H 4.3814 8.0249 117.6364 59.2583 29.8706 177.1177 117 S 4.1193 7.7871 113.8446 61.5799 62.4300 176.0401 118 R 4.0051 8.0778 119.3911 57.6796 31.2520 176.5924 119 H 5.0477 8.2294 115.4988 53.9774 29.0468 173.1903 120 P 4.3601 0.0000 0.0000 65.3756 31.7876 178.5269 121 G 3.7668 8.0501 106.8781 47.6727 0.0000 173.8230 122 N 5.0622 8.3102 114.6480 52.7366 40.7961 174.3977 123 F 4.8515 8.0097 118.6182 56.6094 39.6966 174.4507 124 G 3.8890 7.6822 108.4854 43.8471 0.0000 172.1461 125 A 3.8943 8.4393 120.6814 55.4789 18.2722 179.7157 126 D 4.1870 7.9516 116.4817 57.3803 40.9379 178.7372 127 A 3.8817 7.7095 120.7865 55.1403 18.3923 179.3122 128 Q 2.9626 7.7570 118.4675 58.7401 28.9872 178.6453 129 G 3.4997 8.0523 106.6763 47.6603 0.0000 175.5624 130 A 3.8421 7.9711 123.3016 54.9573 18.2989 179.4246 131 M 3.9927 8.1409 116.8120 58.7877 32.3114 177.8956 132 N 4.2944 8.5239 117.6585 56.5681 39.1137 176.6813 133 K 3.8346 8.1471 120.7933 59.3825 32.2804 178.6414 134 A 3.8389 7.9128 120.9972 55.2067 18.2301 179.6920 135 L 4.1154 8.2537 117.7548 57.8914 41.5757 179.6037 136 E 3.9862 8.6565 119.1996 59.1214 29.2734 179.0741 137 L 3.9524 8.1155 120.5026 57.9973 42.1338 178.6488 138 F 4.1304 8.3558 120.5440 61.6702 39.3030 177.4268 139 R 3.4375 8.2731 117.6901 58.6730 29.7560 179.0483 140 K 3.8314 8.2682 119.8981 59.7174 32.3557 178.7520 141 D 4.3442 8.2490 119.3441 57.1745 40.6723 178.9273 142 I 3.3453 7.5429 120.4008 63.9972 37.0096 178.1297 143 A 3.7657 7.9559 121.7984 55.1165 18.2659 179.5296 144 A 3.9325 7.8655 119.1759 55.1857 18.3905 179.8369 145 K 3.9519 7.9477 117.9663 59.7069 32.1815 178.5202 146 Y 4.4741 8.5044 117.5687 61.1732 37.7827 178.6534 147 K 3.9318 8.2470 120.2931 59.7869 32.1107 178.7430 148 E 4.0648 7.9034 117.1651 59.0443 29.4591 178.5845 149 L 4.3598 8.0112 117.0837 55.1755 41.9878 177.8018 150 G 3.9157 7.8637 107.0175 45.2838 0.0000 172.2161 151 Y 4.7462 7.8083 120.6406 55.2826 40.1306 175.6377 152 Q 3.7391 8.3910 128.4139 57.0806 29.5608 176.0297 153 G 3.6807 5.4518 109.9963 45.6344 0.0000 173.0373 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 4.10 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 1.06 0.00 0.00 0.95 0.00 0.00 2 L 8.33 4.08 0.00 0.96 0.68 0.59 -0.71 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 3 S 8.97 4.56 0.00 4.04 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 4 E 8.82 4.30 0.00 2.20 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 0.00 2.43 2.51 0.00 5 G 8.09 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 6 E 8.03 3.91 0.00 1.91 1.71 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 2.21 2.25 0.00 7 W 8.13 4.40 0.00 3.55 3.17 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 8 Q 8.56 4.23 0.00 2.28 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.60 0.00 9 L 7.95 4.08 0.00 1.88 1.73 0.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.83 3.76 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 1.18 0.00 0.00 0.93 0.00 0.00 11 L 8.62 4.26 0.00 1.81 1.81 0.96 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.45 4.42 0.00 3.30 3.40 0.00 5.94 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 3.76 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.88 0.00 0.00 14 W 8.49 3.87 0.00 3.68 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 7.93 4.04 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.78 3.95 0.00 1.47 1.56 0.00 1.64 0.00 0.00 1.50 0.00 0.00 2.85 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.40 7.81 17 V 7.10 2.71 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 0.04 0.00 0.00 0.20 0.00 0.00 18 E 7.60 3.99 0.00 2.05 1.92 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 2.25 2.25 0.00 19 A 7.58 4.20 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 20 D 7.80 4.67 0.00 2.72 2.50 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 21 V 7.84 3.43 1.96 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 0.71 0.00 0.00 0.85 0.00 0.00 22 A 8.03 4.04 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 23 G 8.33 3.61 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 0.00 24 H 8.15 4.11 0.00 3.20 3.15 0.00 5.82 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 25 G 8.16 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 0.00 0.00 0.00 26 Q 7.93 4.13 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.74 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 27 D 7.82 4.33 0.00 2.75 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 28 I 7.64 3.56 1.56 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.65 0.56 0.00 0.00 29 W 7.86 4.03 0.00 3.34 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 30 I 7.82 3.77 2.00 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 0.96 0.92 0.00 0.00 31 R 8.03 3.80 0.00 1.96 2.01 0.00 3.03 0.00 0.00 2.92 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 32 L 8.06 3.92 0.00 1.74 1.54 1.10 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.25 4.61 0.00 3.12 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 34 K 7.86 4.09 0.00 1.82 1.84 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.63 1.63 7.81 35 S 7.96 4.28 0.00 3.77 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.31 4.72 0.00 2.87 2.76 0.00 5.64 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 37 P 0.00 4.65 0.00 2.16 2.12 0.00 3.84 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 2.10 2.17 0.00 38 E 8.28 4.10 0.00 2.31 2.30 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 2.21 2.53 0.00 39 T 7.97 3.75 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 0.94 0.00 0.00 40 L 8.09 3.79 0.00 1.17 1.69 -0.14 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.85 4.09 0.00 2.19 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 0.00 2.38 2.54 0.00 42 K 8.01 4.40 0.00 1.87 1.69 0.00 1.89 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.77 1.97 7.81 43 F 8.06 4.54 0.00 3.25 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.45 4.30 0.00 2.59 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 45 R 7.65 3.84 0.00 1.35 0.74 0.00 3.00 0.00 0.00 3.02 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 1.32 0.00 46 F 7.48 5.00 0.00 2.79 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 47 K 8.31 4.07 0.00 1.83 2.21 0.00 1.60 0.00 0.00 1.91 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.39 7.81 48 H 8.03 4.42 0.00 3.29 3.45 0.00 5.54 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.37 4.02 0.00 1.52 1.55 0.79 0.55 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 50 K 9.19 4.25 0.00 1.70 1.84 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.50 7.81 51 T 7.30 4.75 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 1.20 0.00 0.00 52 E 8.65 3.94 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 2.38 2.39 0.00 53 A 7.95 4.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 7.84 3.92 0.00 2.11 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 2.34 2.34 0.00 55 M 8.10 4.13 0.00 2.11 2.29 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.54 0.00 56 K 8.31 3.95 0.00 1.77 2.00 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.50 7.81 57 A 7.97 4.40 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 58 S 7.49 4.22 0.00 3.89 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 59 E 8.84 4.02 0.00 2.14 1.96 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 2.40 2.50 0.00 60 D 8.12 4.46 0.00 2.98 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 7.94 3.00 0.00 1.02 1.51 -1.13 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.05 4.03 0.00 1.91 2.01 0.00 1.88 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.51 7.81 63 K 8.30 4.06 0.00 2.12 1.95 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.52 1.68 7.81 64 H 8.84 4.56 0.00 3.63 3.54 0.00 5.78 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 65 G 8.62 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 66 V 7.83 3.60 2.32 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 1.06 0.00 0.00 0.99 0.00 0.00 67 T 7.92 3.92 4.49 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 0.00 0.00 0.00 1.32 0.00 0.00 68 V 8.11 3.60 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 1.22 0.00 0.00 69 L 8.19 4.15 0.00 1.73 1.86 0.76 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.24 4.03 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 1.26 0.00 0.00 71 A 8.08 4.00 1.43 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 0.00 0.00 72 L 8.20 3.72 0.00 1.55 1.70 0.25 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.45 3.19 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 74 A 7.84 3.97 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 75 I 7.37 3.77 1.85 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 1.53 0.81 0.90 0.00 0.00 76 L 7.79 3.97 0.00 1.38 1.57 -0.14 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.81 3.93 0.00 1.77 1.79 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.56 7.81 78 K 7.78 3.94 0.00 1.91 1.75 0.00 1.90 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.76 7.81 79 K 8.27 2.00 0.00 1.18 0.74 0.00 1.36 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.41 1.01 7.81 80 G 7.86 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 H 7.39 4.75 0.00 3.18 3.21 0.00 5.62 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 82 H 7.16 5.55 0.00 3.34 3.46 0.00 5.66 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.30 3.98 0.00 2.09 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 0.00 2.42 2.47 0.00 84 A 7.91 4.03 1.31 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 0.00 0.00 0.00 85 E 8.14 4.10 0.00 2.24 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 2.40 2.47 0.00 86 L 8.24 4.36 0.00 1.71 1.69 0.80 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.84 3.89 0.00 1.78 1.90 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.71 7.81 88 P 0.00 4.33 0.00 2.31 2.34 0.00 3.94 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.06 0.00 89 L 7.55 4.00 0.00 1.95 1.91 0.96 1.16 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 90 A 8.51 4.19 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 91 Q 8.27 3.93 0.00 2.18 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 92 S 8.16 4.05 0.00 4.04 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 93 H 8.72 4.23 0.00 3.62 3.65 0.00 5.80 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 94 A 7.90 2.83 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 95 T 7.48 3.86 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 1.12 0.00 0.00 96 K 7.46 4.07 0.00 1.56 1.66 0.00 1.70 0.00 0.00 1.59 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.36 7.81 97 H 8.05 4.24 0.00 3.02 3.16 0.00 5.86 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.46 3.19 0.00 1.77 1.69 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.84 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.08 1.21 7.81 99 I 8.20 4.35 2.15 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 1.37 1.00 1.20 0.00 0.00 100 P 0.00 4.44 0.00 1.78 1.75 0.00 2.87 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.92 0.00 101 I 8.33 3.75 1.83 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.82 0.85 0.00 0.00 102 K 7.94 3.84 0.00 1.69 1.66 0.00 1.72 0.00 0.00 1.91 0.00 0.00 3.39 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.78 1.28 7.81 103 Y 7.87 4.21 0.00 3.29 3.13 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 0.00 104 L 7.92 4.27 0.00 1.92 1.85 0.79 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.27 4.07 0.00 2.05 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 2.33 2.50 0.00 106 F 7.88 4.55 0.00 3.27 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 0.00 107 I 8.21 3.87 2.07 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 1.51 1.60 1.10 0.00 0.00 108 S 8.33 4.17 0.00 4.20 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 0.00 109 E 8.56 4.03 0.00 2.27 2.31 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 2.39 2.42 0.00 110 A 8.09 4.00 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 0.00 111 I 8.00 3.60 2.07 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 1.50 0.81 1.02 0.00 0.00 112 I 7.89 3.77 2.12 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.92 1.15 0.00 0.00 113 H 8.45 4.11 0.00 3.36 3.43 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.90 3.55 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 0.84 0.00 0.00 0.93 0.00 0.00 115 L 7.78 3.78 0.00 0.46 0.46 0.77 0.62 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 0.00 116 H 8.02 4.38 0.00 3.45 3.57 0.00 5.75 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.79 4.12 0.00 3.90 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 0.00 118 R 8.08 4.01 0.00 1.54 1.57 0.00 3.16 0.00 0.00 2.97 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.60 0.00 119 H 8.23 5.05 0.00 3.18 3.19 0.00 5.62 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 0.00 120 P 0.00 4.36 0.00 2.17 2.15 0.00 3.83 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 121 G 8.05 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 N 8.31 5.06 0.00 2.67 2.74 0.00 0.00 6.65 7.01 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 0.00 123 F 8.01 4.85 0.00 2.97 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.68 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.44 3.89 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 0.00 126 D 7.95 4.19 0.00 2.64 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 0.00 127 A 7.71 3.88 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 0.00 128 Q 7.76 2.96 0.00 1.18 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.25 2.33 0.00 129 G 8.05 3.50 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 0.00 130 A 7.97 3.84 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 0.00 131 M 8.14 3.99 0.00 2.51 2.40 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.90 0.00 132 N 8.52 4.29 0.00 2.86 2.93 0.00 0.00 6.88 6.30 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 0.00 133 K 8.15 3.83 0.00 1.91 1.73 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.27 1.36 7.81 134 A 7.91 3.84 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 0.00 135 L 8.25 4.12 0.00 1.75 1.82 0.98 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.66 3.99 0.00 2.13 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 2.34 2.56 0.00 137 L 8.12 3.95 0.00 1.88 1.98 1.03 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 0.00 138 F 8.36 4.13 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 0.00 139 R 8.27 3.44 0.00 1.84 1.84 0.00 3.20 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.04 0.00 140 K 8.27 3.83 0.00 1.81 2.00 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.44 7.81 141 D 8.25 4.34 0.00 2.73 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 0.00 142 I 7.54 3.35 1.33 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.36 -0.08 0.00 0.00 143 A 7.96 3.77 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 0.00 144 A 7.87 3.93 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 0.00 145 K 7.95 3.95 0.00 1.99 1.93 0.00 1.57 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.60 7.81 146 Y 8.50 4.47 0.00 3.23 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.25 3.93 0.00 1.97 2.06 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.90 4.06 0.00 2.22 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 2.36 2.50 0.00 149 L 8.01 4.36 0.00 1.84 1.74 1.04 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.86 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 0.00 151 Y 7.81 4.75 0.00 2.60 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 0.00 152 Q 8.39 3.74 0.00 1.89 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.77 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 153 G 5.45 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