NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.8744 8.0393 120.2910 61.3316 32.6809 174.3197 2 E 4.2380 8.2782 121.3863 53.9748 31.1599 173.8890 3 W 4.8983 9.1927 123.7097 55.5816 32.1047 177.9905 4 S 4.6828 9.4005 118.2305 58.2708 64.9053 175.9365 5 T 4.0706 8.3955 119.3074 66.1572 68.2684 177.1819 6 A 4.0113 8.0651 122.6080 55.6116 18.3582 178.7358 7 E 4.0011 8.5721 116.2110 59.8982 29.5564 179.7337 8 R 3.8921 8.3947 117.7899 59.5035 30.3227 179.1274 9 S 4.1341 8.2519 113.5816 61.0727 63.3590 175.8338 10 A 3.9978 8.1365 124.6945 55.3530 17.9955 179.7951 11 I 3.7707 8.6083 118.7118 64.4942 37.1292 178.6533 12 A 4.1391 8.1402 121.8867 55.0016 17.9615 179.9734 13 G 3.5745 8.4972 104.0552 47.4881 0.0000 175.7140 14 L 4.1832 7.8556 122.1468 57.9919 42.4093 178.7668 15 W 4.0055 8.6853 128.8186 60.4636 30.3161 178.0974 16 G 3.7010 8.1762 104.8709 46.9690 0.0000 174.9523 17 K 4.2902 7.8557 118.7300 55.7623 32.7166 176.9792 18 I 3.6584 6.7017 120.9561 61.0133 37.2833 176.4618 19 S 4.1979 8.4476 120.3587 57.2594 61.8069 174.0521 20 V 3.4244 8.1155 129.9703 66.3429 30.8667 177.0977 21 D 4.4603 7.9632 116.6303 56.0414 41.0268 177.2412 22 E 4.2816 7.7206 119.2605 58.3444 30.2630 177.6902 23 I 3.8181 8.0375 119.7209 65.3292 37.3076 178.4189 24 G 3.8908 7.7523 103.5104 48.1916 0.0000 173.7361 25 P 4.3473 0.0000 0.0000 64.2275 31.5916 178.7026 26 Q 3.9414 7.6093 117.1832 58.8050 29.1772 177.6391 27 A 3.9928 8.6536 122.2943 55.0564 18.4316 179.4315 28 L 3.8663 8.0362 118.8527 58.3434 42.2056 179.1923 29 S 4.0705 8.0272 115.1887 61.7068 62.7672 176.8165 30 R 3.8293 7.9595 121.2674 59.0828 29.8175 178.1692 31 L 3.9942 7.8013 120.0741 58.3732 41.9853 179.0493 32 L 3.9706 7.9358 118.3182 57.1380 41.2746 179.4275 33 I 3.7216 7.3601 119.4717 63.8047 37.2986 177.7952 34 V 3.6054 7.8253 117.9787 63.6361 33.0891 175.8084 35 Y 3.6944 7.1037 116.8234 55.1602 37.1900 174.2483 36 P 4.7185 0.0000 0.0000 62.8899 31.7427 178.0308 37 W 4.3803 7.3114 117.1763 59.5444 28.1788 177.8073 38 T 4.0833 7.6150 114.2124 64.6735 66.6411 175.9867 39 Q 4.1049 7.7644 120.3908 59.2203 28.5243 178.6794 40 R 3.8670 7.5760 118.0847 60.0304 30.0234 177.9359 41 H 4.2165 7.8402 114.7273 57.2185 28.9853 175.8493 42 F 4.2527 7.9857 120.0236 56.8833 39.3155 176.4711 43 A 4.3624 8.0746 121.6095 52.8608 18.5514 179.2089 44 A 4.2877 8.0126 118.8183 54.1789 18.6196 178.6288 45 F 4.3639 8.6627 113.6670 57.9910 39.4237 175.2388 46 G 3.9933 9.6106 105.5448 43.9060 0.0000 172.5093 47 N 4.1964 8.4210 114.2078 55.0804 35.5511 174.6960 48 L 4.8088 7.3700 112.1313 54.5690 43.1262 179.2243 49 S 4.1558 8.2141 114.1499 59.9252 63.6882 174.1662 50 S 4.5426 7.5564 114.5431 55.9310 66.8973 174.6192 51 P 4.1758 0.0000 0.0000 66.0777 31.0342 178.5828 52 A 3.9690 8.0584 118.4473 55.2817 18.0422 179.3742 53 A 4.0370 7.4061 117.0461 54.9038 18.8026 179.8150 54 I 3.8022 7.7313 118.4894 64.8360 37.0772 178.4627 55 N 4.4798 8.1808 115.8572 55.7541 38.4230 176.8639 56 G 4.0020 7.7342 104.8762 44.0612 0.0000 173.2188 57 N 4.5384 7.6829 121.6349 52.3793 39.2572 173.8940 58 P 4.3121 0.0000 0.0000 65.6139 31.2524 178.2547 59 K 3.8121 8.2797 119.6462 58.7462 32.0686 178.8111 60 V 3.7609 8.0554 117.9747 66.0280 31.4876 177.6267 61 A 3.9714 7.9058 120.2051 55.5383 18.4049 179.0247 62 H 4.0394 8.3375 116.7338 59.8027 29.9335 176.9528 63 H 4.4478 8.8583 120.4744 58.8184 29.7900 177.4034 64 G 3.6791 8.6695 108.3151 47.6999 0.0000 175.6262 65 K 3.9478 8.0052 121.0489 59.3215 32.1118 179.5709 66 V 3.5519 7.5397 117.9246 65.8000 31.5226 177.9789 67 V 3.6346 8.1356 118.4715 66.6404 31.3465 177.9769 68 M 4.5326 8.2272 118.0563 58.3955 31.8674 178.9663 69 G 3.8953 8.6546 106.4207 47.7457 0.0000 175.8761 70 G 3.6722 8.2104 108.0228 47.5537 0.0000 175.8493 71 L 4.1457 8.0783 121.0542 57.7295 41.7824 178.9120 72 E 2.8511 8.4666 119.6122 59.2308 29.1052 178.9638 73 R 3.8853 7.7351 117.1615 59.2983 30.5990 178.1064 74 A 4.1692 8.0555 120.0176 54.5913 18.0823 179.7701 75 I 3.5086 7.2121 118.0781 64.5426 37.3239 178.5739 76 K 4.1895 7.7525 116.8980 57.9863 32.0498 177.1879 77 N 5.0988 7.6302 116.2570 52.7715 39.6629 176.3005 78 M 4.1362 8.3828 120.1231 58.2775 32.1083 177.4631 79 D 4.7824 8.0628 116.5529 55.2949 42.4354 175.8410 80 N 5.0854 8.2601 117.4475 52.1962 39.0395 175.1891 81 I 3.6837 7.5768 123.2932 64.3413 37.6461 177.9264 82 K 3.5927 7.9545 118.7250 59.5516 32.1818 178.0583 83 A 4.0639 7.9362 120.1464 54.8030 18.3336 179.2182 84 A 4.0768 7.7938 117.9205 54.7184 18.7329 178.3552 85 Y 4.3549 7.7199 113.7580 57.7829 38.4607 177.5063 86 S 4.1542 7.9111 116.9517 61.9509 62.7326 176.9524 87 S 4.0933 7.9595 117.9721 61.0518 62.6378 176.1754 88 L 3.8821 7.8350 121.2083 57.9604 41.2341 179.0056 89 S 4.9539 8.5211 114.4874 61.2146 62.2630 176.6160 90 V 3.5827 7.6236 120.1275 66.2356 31.2018 177.6612 91 M 4.0134 8.4168 118.3520 58.9134 32.0295 177.8887 92 H 4.4041 8.6641 116.7387 58.9965 29.0843 176.9341 93 S 4.4113 9.4891 118.9413 60.6259 62.1392 175.2118 94 E 4.0614 7.6817 130.9918 58.0928 30.6113 177.1559 95 K 4.3348 7.8783 116.5452 58.2651 34.0499 176.8783 96 L 4.0812 8.1694 116.8956 55.5309 42.3612 176.5277 97 H 4.0708 7.6886 115.0533 56.6229 26.5202 175.6424 98 V 3.7061 7.9412 117.9639 61.7315 32.2375 175.0317 99 D 4.3000 8.6132 127.6979 53.5164 41.7297 174.9110 100 P 3.3282 0.0000 0.0000 66.0154 30.6778 177.8824 101 D 4.3251 8.1732 117.3557 56.9175 41.0143 177.8413 102 N 4.3218 8.2191 117.7478 56.1931 38.4597 177.2764 103 F 4.4983 7.4834 119.3183 60.3973 38.8500 177.6890 104 R 3.9886 7.8752 118.1986 59.2134 29.9091 178.4513 105 L 3.8807 7.5424 119.1349 57.4011 41.5225 179.1430 106 L 3.9751 8.0331 120.0822 58.1494 42.0945 178.5369 107 A 4.0601 8.0315 120.7505 55.6672 18.2018 179.3281 108 D 4.4456 8.5430 117.4228 57.8854 40.8985 178.9537 109 C 4.2398 8.3824 117.2663 62.5429 28.0127 175.9708 110 I 3.7474 8.2546 121.9882 64.8850 36.7224 178.1644 111 T 4.1026 8.5198 116.7317 66.9841 68.3261 176.5504 112 V 3.5194 7.9791 119.7777 66.4300 31.6935 177.9462 113 C 4.0336 8.0619 116.3092 62.5025 27.8814 176.0784 114 V 2.7317 7.8010 120.0311 65.3453 30.9290 177.5797 115 A 3.3102 6.9879 120.5082 55.5510 17.9519 179.4706 116 M 3.9115 7.6768 115.4217 58.4884 32.0745 178.7193 117 K 4.1256 7.5609 118.3228 58.9883 32.4765 178.1575 118 F 4.7613 8.0725 116.5943 56.8471 40.0375 177.1895 119 G 4.0093 8.4660 107.8609 43.8210 0.0000 172.3249 120 P 4.3698 0.0000 0.0000 65.3226 31.4208 178.3035 121 S 4.3523 8.1375 112.9820 60.1763 63.3228 174.8370 122 A 4.4077 8.0453 121.3321 52.8978 19.9771 177.2662 123 F 4.8780 8.2267 119.6350 57.3177 38.1243 175.7998 124 T 4.1740 7.3041 120.7262 62.1282 70.9350 173.0159 125 P 4.1032 0.0000 0.0000 66.2500 31.3160 178.6699 126 D 4.4017 7.9172 116.7332 56.6919 40.8197 178.9634 127 V 3.5655 7.5095 118.5673 66.0690 31.6264 177.5068 128 Q 3.8377 7.6708 119.5714 59.1870 28.6991 177.9775 129 E 3.9471 8.4759 120.3769 59.2543 29.6343 178.6126 130 A 4.3356 7.7477 119.8318 54.3596 18.9161 179.0008 131 W 4.6605 8.7337 127.4233 61.1338 30.7736 178.0254 132 Q 3.9242 8.7681 119.5574 59.1028 28.5503 177.8316 133 K 3.9299 8.2958 120.7502 59.4729 32.1311 178.4845 134 F 4.4532 8.5624 120.9139 61.5420 39.4003 177.2242 135 L 3.5914 8.0733 118.4787 57.4497 41.2795 179.4062 136 A 3.9457 8.0491 120.7817 54.6509 18.2306 179.8404 137 V 3.4520 7.5200 117.2336 65.8508 31.5414 178.5186 138 V 2.9605 7.2211 118.0220 65.7494 31.1297 178.2112 139 V 3.4610 7.5689 116.5758 65.7664 31.4223 177.3440 140 A 4.1105 7.6754 119.1828 55.4150 18.4037 179.4193 141 A 4.6294 7.8786 118.4971 53.9734 18.5270 179.5388 142 L 4.0556 7.8052 118.2042 56.3097 41.6709 175.9596 143 S 3.7136 8.3744 114.8572 58.5861 61.1927 172.3133 144 R 3.6663 8.4862 124.1112 57.1836 29.7246 175.8906 145 Y 4.1051 8.1600 122.6481 56.8433 37.3699 175.5788 146 H 4.5559 8.3405 120.5074 55.8237 28.9743 175.6864 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 8.04 3.87 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 0.78 0.00 0.00 0.24 0.00 0.00 2 E 8.28 4.24 0.00 2.12 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 2.08 2.28 0.00 3 W 9.19 4.90 0.00 3.39 3.25 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 4 S 9.40 4.68 0.00 3.92 3.84 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 5 T 8.40 4.07 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 6 A 8.07 4.01 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 7 E 8.57 4.00 0.00 2.57 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.57 0.00 8 R 8.39 3.89 0.00 2.05 1.95 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 2.06 0.00 9 S 8.25 4.13 0.00 4.07 4.11 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 10 A 8.14 4.00 1.49 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 0.00 0.00 0.00 11 I 8.61 3.77 1.65 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.59 0.55 0.00 0.00 12 A 8.14 4.14 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 13 G 8.50 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.86 4.18 0.00 1.93 1.87 0.68 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.69 4.01 0.00 3.58 3.34 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 16 G 8.18 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 17 K 7.86 4.29 0.00 1.59 1.43 0.00 1.39 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.09 1.32 7.81 18 I 6.70 3.66 1.06 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.30 0.52 0.00 0.00 19 S 8.45 4.20 0.00 3.82 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.12 3.42 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 1.05 0.00 0.00 0.61 0.00 0.00 21 D 7.96 4.46 0.00 2.66 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 E 7.72 4.28 0.00 1.99 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 0.00 2.27 2.35 0.00 23 I 8.04 3.82 1.79 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 0.80 0.87 0.00 0.00 24 G 7.75 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 25 P 0.00 4.35 0.00 2.16 2.12 0.00 3.69 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 2.29 2.38 0.00 26 Q 7.61 3.94 0.00 2.46 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 27 A 8.65 3.99 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 28 L 8.04 3.87 0.00 1.78 1.64 0.69 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.03 4.07 0.00 4.05 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 30 R 7.96 3.83 0.00 2.02 2.01 0.00 3.09 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 31 L 7.80 3.99 0.00 1.87 1.80 1.02 0.71 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 32 L 7.94 3.97 0.00 1.64 1.60 0.68 0.28 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 33 I 7.36 3.72 1.76 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.52 0.82 0.00 0.00 34 V 7.83 3.61 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 0.02 0.00 0.00 0.73 0.00 0.00 35 Y 7.10 3.69 0.00 2.54 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 36 P 0.00 4.72 0.00 2.26 2.29 0.00 3.57 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.84 0.00 37 W 7.31 4.38 0.00 3.59 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 T 7.61 4.08 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 1.28 0.00 0.00 39 Q 7.76 4.10 0.00 2.27 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.50 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 40 R 7.58 3.87 0.00 1.80 2.18 0.00 3.24 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 41 H 7.84 4.22 0.00 2.72 2.76 0.00 5.66 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.99 4.25 0.00 2.75 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 0.00 0.00 0.00 43 A 8.07 4.36 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 44 A 8.01 4.29 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 45 F 8.66 4.36 0.00 3.21 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 46 G 9.61 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 47 N 8.42 4.20 0.00 2.87 2.87 0.00 0.00 6.61 7.85 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 48 L 7.37 4.81 0.00 1.69 1.61 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 49 S 8.21 4.16 0.00 3.99 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 50 S 7.56 4.54 0.00 4.08 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 51 P 0.00 4.18 0.00 2.15 2.13 0.00 3.59 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 52 A 8.06 3.97 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 53 A 7.41 4.04 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 54 I 7.73 3.80 2.02 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 1.50 0.97 0.87 0.00 0.00 55 N 8.18 4.48 0.00 2.68 2.87 0.00 0.00 7.07 7.27 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 56 G 7.73 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 N 7.68 4.54 0.00 3.02 2.87 0.00 0.00 6.82 7.71 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 58 P 0.00 4.31 0.00 2.34 2.28 0.00 3.47 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 59 K 8.28 3.81 0.00 1.61 1.25 0.00 1.35 0.00 0.00 0.95 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.51 1.08 7.81 60 V 8.06 3.76 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 0.94 0.00 0.00 1.04 0.00 0.00 61 A 7.91 3.97 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 H 8.34 4.04 0.00 3.34 3.44 0.00 5.59 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 H 8.86 4.45 0.00 3.62 3.75 0.00 5.84 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 64 G 8.67 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 65 K 8.01 3.95 0.00 2.01 1.84 0.00 1.65 0.00 0.00 1.57 0.00 0.00 3.20 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.45 7.81 66 V 7.54 3.55 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 1.02 0.00 0.00 0.92 0.00 0.00 67 V 8.14 3.63 2.28 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 1.08 0.00 0.00 1.02 0.00 0.00 68 M 8.23 4.53 0.00 2.41 2.39 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 3.00 0.00 69 G 8.65 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 8.21 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 71 L 8.08 4.15 0.00 2.27 1.97 1.31 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.47 2.85 0.00 1.16 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 2.32 2.19 0.00 73 R 7.74 3.89 0.00 1.89 2.19 0.00 3.29 0.00 0.00 3.15 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 74 A 8.06 4.17 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 75 I 7.21 3.51 1.60 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 1.04 -0.36 0.61 0.00 0.00 76 K 7.75 4.19 0.00 1.70 1.83 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.23 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.56 7.81 77 N 7.63 5.10 0.00 2.91 2.75 0.00 0.00 6.82 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 78 M 8.38 4.14 0.00 1.52 1.94 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.37 0.00 79 D 8.06 4.78 0.00 2.70 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.26 5.09 0.00 2.72 2.66 0.00 0.00 7.04 6.97 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 81 I 7.58 3.68 1.73 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 1.52 0.68 0.32 0.00 0.00 82 K 7.95 3.59 0.00 1.52 1.67 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.82 0.53 7.81 83 A 7.94 4.06 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 84 A 7.79 4.08 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 85 Y 7.72 4.35 0.00 3.00 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 86 S 7.91 4.15 0.00 4.07 4.10 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 0.00 0.00 0.00 0.00 87 S 7.96 4.09 0.00 3.84 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 88 L 7.84 3.88 0.00 1.62 1.51 0.20 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.52 4.95 0.00 4.21 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 90 V 7.62 3.58 2.22 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 0.97 0.00 0.00 1.03 0.00 0.00 91 M 8.42 4.01 0.00 2.02 2.00 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 2.55 2.48 0.00 92 H 8.66 4.40 0.00 3.35 3.67 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 9.49 4.41 0.00 3.76 3.73 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 94 E 7.68 4.06 0.00 1.94 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 2.25 0.00 95 K 7.88 4.33 0.00 1.67 1.91 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.27 1.39 7.81 96 L 8.17 4.08 0.00 1.62 1.66 0.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.69 4.07 0.00 3.28 3.33 0.00 5.84 0.00 0.00 0.00 0.00 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 7.94 3.71 2.18 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 0.43 0.00 0.00 0.82 0.00 0.00 99 D 8.61 4.30 0.00 2.66 2.46 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 0.00 100 P 0.00 3.33 0.00 2.25 2.36 0.00 3.64 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 2.01 2.02 0.00 101 D 8.17 4.33 0.00 2.86 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 8.22 4.32 0.00 2.59 2.83 0.00 0.00 6.85 7.85 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 0.00 103 F 7.48 4.50 0.00 3.07 2.97 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 0.00 104 R 7.88 3.99 0.00 1.89 2.09 0.00 3.18 0.00 0.00 3.35 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.72 0.00 105 L 7.54 3.88 0.00 1.73 1.39 0.64 -0.05 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 0.00 106 L 8.03 3.98 0.00 1.99 1.77 1.05 1.38 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 0.00 107 A 8.03 4.06 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.54 4.45 0.00 2.96 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 0.00 109 C 8.38 4.24 0.00 3.17 3.02 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 0.00 0.00 0.00 110 I 8.25 3.75 2.25 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.07 1.33 0.00 0.00 111 T 8.52 4.10 4.61 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 1.49 0.00 0.00 112 V 7.98 3.52 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 1.08 0.00 0.00 0.99 0.00 0.00 113 C 8.06 4.03 0.00 3.06 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.80 2.73 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 -0.44 0.00 0.00 0.45 0.00 0.00 115 A 6.99 3.31 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 0.00 116 M 7.68 3.91 0.00 1.93 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 117 K 7.56 4.13 0.00 1.79 1.85 0.00 1.69 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.71 1.74 7.81 118 F 8.07 4.76 0.00 2.91 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 0.00 119 G 8.47 4.01 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 0.00 0.00 0.00 120 P 0.00 4.37 0.00 2.09 2.17 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 2.06 2.16 0.00 121 S 8.14 4.35 0.00 3.87 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 0.00 122 A 8.05 4.41 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.23 4.88 0.00 2.92 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 0.00 124 T 7.30 4.17 4.21 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 1.26 0.00 0.00 125 P 0.00 4.10 0.00 2.12 2.10 0.00 3.56 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 2.11 2.18 0.00 126 D 7.92 4.40 0.00 2.68 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 V 7.51 3.57 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 1.15 0.00 0.00 0.93 0.00 0.00 128 Q 7.67 3.84 0.00 1.37 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.55 0.00 0.00 0.00 0.00 0.00 2.48 2.65 0.00 129 E 8.48 3.95 0.00 2.08 2.14 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 2.38 2.38 0.00 130 A 7.75 4.34 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 W 8.73 4.66 0.00 3.59 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 0.00 132 Q 8.77 3.92 0.00 2.41 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 2.42 2.45 0.00 133 K 8.30 3.93 0.00 1.96 2.20 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.13 0.00 0.00 2.43 0.00 0.00 0.00 0.00 1.22 1.27 7.81 134 F 8.56 4.45 0.00 3.34 3.21 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 0.00 135 L 8.07 3.59 0.00 1.49 1.51 0.52 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 136 A 8.05 3.95 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 0.00 137 V 7.52 3.45 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 0.98 0.00 0.00 0.91 0.00 0.00 138 V 7.22 2.96 1.80 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 0.84 0.00 0.00 0.13 0.00 0.00 139 V 7.57 3.46 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 0.93 0.00 0.00 1.01 0.00 0.00 140 A 7.68 4.11 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 0.00 141 A 7.88 4.63 1.14 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 0.00 142 L 7.81 4.06 0.00 1.45 0.35 0.21 0.70 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 0.00 143 S 8.37 3.71 0.00 4.18 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 R 8.49 3.67 0.00 1.68 1.65 0.00 3.18 0.00 0.00 3.16 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.53 0.00 145 Y 8.16 4.11 0.00 3.27 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 0.00 146 H 8.34 4.56 0.00 3.12 3.17 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00