NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 17 S 4.4599 8.1814 115.4156 57.6965 64.7503 174.2831 18 G 3.4632 8.5878 106.9075 47.0239 0.0000 174.0996 19 L 3.9498 8.6284 123.7274 57.9922 42.6002 177.1353 20 E 3.9531 8.1714 118.5288 59.5088 29.3544 179.1723 21 D 4.2692 8.2296 118.9372 57.2121 40.8199 178.9502 22 K 3.9471 8.1360 119.0395 59.4547 32.0822 179.6294 23 V 3.5001 7.9194 118.5819 65.9498 31.4457 178.2735 24 S 3.7598 8.2411 117.4928 62.0801 62.6097 177.4559 25 K 4.1007 8.5825 129.2299 60.3674 31.4998 181.5763 26 Q 4.1973 8.2333 121.8306 60.2059 28.1091 180.8278 27 L 4.2255 7.8521 121.3815 57.6895 41.5387 179.6413 28 E 4.1722 8.4722 118.8025 59.3682 29.2137 179.5032 29 S 4.1506 8.3551 113.7529 60.7147 63.0226 175.7020 30 K 4.4601 7.8032 119.2714 55.2046 32.1006 176.7215 31 G 3.9225 7.9935 107.2437 46.4310 0.0000 173.6591 32 I 4.1700 8.3393 123.4828 60.3052 37.9107 177.1550 33 K 4.3686 8.5443 126.9891 54.3276 32.5471 172.4755 34 F 4.8610 7.4406 110.4539 57.4875 39.7314 172.9906 35 E 4.6783 9.1030 121.0886 54.7079 31.6075 174.9178 36 Y 4.7689 8.7298 124.1460 56.9862 40.3074 175.0954 37 E 3.5877 8.2958 127.9278 57.3328 27.2213 175.1479 38 E 4.0582 8.0972 118.0974 56.1836 30.7767 175.3973 39 W 4.8398 7.8851 117.5686 54.6196 32.0526 174.5184 40 K 4.5517 8.7783 122.0706 54.6362 33.4302 175.9568 41 V 4.3474 8.2089 122.5160 60.3780 32.6237 173.5706 42 P 4.5829 0.0000 0.0000 62.7617 31.9592 175.3426 43 Y 4.8908 7.8037 118.0038 55.9250 40.6034 173.9386 44 V 4.2483 8.2769 120.0513 61.0233 34.0498 174.7911 45 I 4.3499 8.1157 127.5176 59.1987 38.0627 174.1212 46 P 4.3386 0.0000 0.0000 62.3359 31.8411 176.1741 47 A 4.2708 8.3173 123.6542 52.2467 19.0313 177.2521 48 S 4.7490 8.2111 113.4932 56.5097 66.2106 173.1733 49 N 4.8863 8.4675 119.2035 52.4217 39.8725 174.0385 50 H 4.9637 8.3605 117.9573 54.7252 33.2666 172.4207 51 T 4.7662 8.2340 109.1405 60.0942 71.5110 172.5821 52 Y 4.7635 8.4632 123.2857 56.1810 41.2758 175.2398 53 T 4.0412 8.0224 123.7906 60.6896 68.6804 172.2815 54 P 4.2760 0.0000 0.0000 61.5617 32.0398 176.7561 55 D 4.2255 8.8817 121.6087 56.9035 41.2245 176.7058 56 F 4.9664 8.7518 117.7080 55.3380 42.0275 174.2155 57 L 4.7636 8.4615 124.7251 53.1320 44.1411 176.2402 58 L 4.4807 8.6160 126.4786 53.1213 42.7796 176.1893 59 P 4.2457 0.0000 0.0000 65.6012 31.5070 177.2202 60 N 4.5960 8.1725 114.0001 52.7765 37.3316 176.3537 61 G 3.8807 8.2697 106.7991 45.4486 0.0000 173.5246 62 I 4.1631 7.5242 121.5978 60.3950 38.6235 174.9958 63 F 5.0612 9.2431 126.3310 56.3818 41.1140 175.0271 64 V 4.9523 9.3078 122.4545 61.2314 34.4470 173.5506 65 E 5.1271 9.4956 130.0631 54.9576 31.1237 174.8418 66 T 4.6751 9.0360 118.2074 61.1451 70.6355 174.3724 67 K 4.1792 8.9890 125.1549 56.9173 35.6891 174.3098 68 G 3.8197 9.2560 117.0359 46.2303 0.0000 174.6496 69 L 4.3402 9.0046 118.8467 54.4351 43.5331 175.5249 70 W 4.8263 8.9948 135.0000 54.9557 31.1059 175.2614 71 E 4.1789 8.2673 124.5042 55.2545 31.1717 177.1224 72 S 3.7632 8.4660 115.0831 62.0513 62.3067 176.5052 73 D 4.2333 7.8657 120.6143 57.1139 40.6205 178.1451 74 D 4.2319 7.6160 118.3447 57.2173 41.4310 178.3389 75 R 3.1009 7.1090 118.5041 58.7898 29.7382 179.1283 76 K 3.9214 7.8577 118.3482 59.2123 31.9733 179.1080 77 K 3.7667 7.9790 119.8307 60.0214 32.0516 178.5183 78 H 4.0246 8.1435 116.0693 58.7857 28.6506 177.8685 79 L 4.0624 7.9454 120.4240 57.6756 41.3656 179.4994 80 L 3.9845 8.2082 119.2668 57.9519 41.5791 179.6939 81 I 3.7882 7.9542 119.7923 64.3691 36.7549 178.7469 82 R 4.0119 7.8406 118.3640 59.1391 29.9318 178.3671 83 E 4.0951 7.9594 118.2939 59.1419 29.7641 178.3438 84 Q 4.1906 8.2935 117.3418 57.4407 30.4749 176.1067 85 H 4.9394 8.6682 116.4882 52.9664 29.3801 172.0321 86 P 4.3178 0.0000 0.0000 65.6740 31.7951 178.0343 87 E 4.1875 8.0403 115.2518 57.6614 29.8705 176.8801 88 L 4.1887 7.8765 119.7325 54.3387 42.4187 176.1853 89 D 4.8046 8.6768 122.4854 52.7326 42.5529 173.9995 90 I 5.0395 8.2791 125.8818 59.5497 39.4990 175.2978 91 R 4.8415 9.1426 125.9227 54.3274 34.1417 174.8251 92 I 4.8744 8.5909 120.3614 59.5250 40.8347 174.9477 93 V 4.7207 8.6511 126.8758 61.3783 33.3818 174.5396 94 F 5.2408 9.1115 127.4424 56.3562 40.7209 177.4881 95 S 4.2976 9.1391 118.0641 61.7142 63.8606 174.7922 96 S 4.4407 8.0076 114.2987 57.5605 64.0944 174.5734 97 S 3.8405 9.1532 123.0164 59.3300 63.1970 175.8967 98 R 4.0943 7.3481 118.9448 57.6520 30.4911 177.1209 99 T 3.6031 6.9821 115.5138 63.6007 68.8270 173.9133 100 K 4.4152 7.9644 124.5582 55.6301 33.0056 177.0977 101 L 4.2256 8.1514 122.5754 58.1514 41.8686 176.8215 102 Y 4.7645 7.2744 116.3860 56.3463 40.5954 176.0569 103 K 4.0990 8.7456 121.4881 57.3422 31.7428 175.5140 104 G 4.2417 8.2608 104.1917 44.7525 0.0000 172.7056 105 S 3.8823 7.4636 114.2401 57.4340 62.6219 172.4595 106 P 4.4625 0.0000 0.0000 63.7658 32.0502 176.3534 107 T 4.5111 7.5555 116.2249 62.3837 69.7577 174.6033 108 S 4.9598 8.4523 120.9612 56.9630 66.3681 175.0939 109 Y 4.5746 8.1988 120.1822 61.3688 37.3700 179.4602 110 G 2.8243 8.1327 106.8294 47.6575 0.0000 175.6124 111 E 4.1956 8.2765 121.1428 58.9182 29.5321 179.2845 112 F 4.1376 8.4247 120.8153 61.5390 39.4445 176.9881 113 C 4.3722 8.4636 116.3976 62.9176 27.7302 175.9217 114 E 4.1048 8.5732 120.4901 59.4957 28.8958 179.3751 115 K 3.8788 8.0847 118.3358 58.9209 32.1903 177.5300 116 H 4.7661 7.5280 113.3262 54.6128 29.0438 174.7722 117 G 3.8996 7.6555 108.1478 46.5667 0.0000 173.6579 118 I 4.4056 7.9594 120.9810 59.5941 38.3357 176.1556 119 K 4.5596 8.7044 127.2548 56.4521 33.2174 176.0457 120 F 5.8120 8.6733 117.7714 56.5359 41.4465 172.2131 121 A 4.5118 9.2170 120.0345 51.5653 22.9814 174.5295 122 D 5.3765 8.3853 117.6484 53.9996 43.3541 177.1862 123 K 4.1746 9.6654 127.1171 57.3926 31.4386 176.0242 124 L 4.7386 7.1395 113.8615 52.5104 45.7478 175.9035 125 I 3.5109 7.8879 121.1718 60.0713 37.7162 174.7892 126 P 3.9725 0.0000 0.0000 62.1432 31.8206 177.2103 127 A 3.9817 8.5425 124.9378 55.4607 18.5926 179.7123 128 E 4.0323 8.1148 114.2887 59.3081 29.8633 179.0944 129 W 4.7530 7.9901 120.0159 59.5001 28.9320 178.5898 130 I 3.8201 7.8830 117.9919 64.1915 36.6606 177.8350 131 K 4.2068 7.6205 117.3138 56.6928 32.6589 177.3986 132 E 4.1016 7.6155 120.3570 55.3090 30.0325 174.7862 133 P 4.3787 0.0000 0.0000 62.6456 31.7909 176.0452 134 K 4.4330 8.4756 122.4657 56.9609 32.7488 175.6266 135 K 4.7983 8.4592 125.8927 55.5969 36.0380 176.3555 136 E 4.2717 8.8087 119.2318 56.5658 30.5888 177.3111 137 V 4.1804 8.1970 123.0054 59.8059 33.8660 175.1272 138 P 4.7058 0.0000 0.0000 61.9021 29.6285 176.8241 139 F 4.2884 8.0217 123.5131 60.7751 39.6417 177.6350 140 D 4.4672 8.2287 119.4243 55.9456 39.2935 177.2617 141 R 4.2707 7.9357 116.6622 56.3820 30.4861 175.8503 142 L 4.6793 7.7516 120.2362 53.3042 44.2246 176.2938 143 K 4.5883 8.3294 123.2407 53.2195 34.4200 177.3324 144 R 4.2878 8.6079 124.7960 55.1580 30.2648 174.1616 145 K 4.2569 8.4753 118.2782 55.5763 31.6678 178.1305 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 17 S 8.18 4.46 0.00 4.03 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 18 G 8.59 3.46 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 0.00 19 L 8.63 3.95 0.00 1.76 1.67 0.91 0.98 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 20 E 8.17 3.95 0.00 2.28 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 2.43 2.40 0.00 21 D 8.23 4.27 0.00 2.82 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 22 K 8.14 3.95 0.00 1.92 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.62 7.81 23 V 7.92 3.50 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 0.89 0.00 0.00 0.91 0.00 0.00 24 S 8.24 3.76 0.00 3.96 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 25 K 8.58 4.10 0.00 1.71 1.82 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.33 7.81 26 Q 8.23 4.20 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.27 0.00 27 L 7.85 4.23 0.00 1.66 1.84 0.38 0.69 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 28 E 8.47 4.17 0.00 2.23 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 2.46 2.74 0.00 29 S 8.36 4.15 0.00 4.01 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 30 K 7.80 4.46 0.00 1.80 1.89 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.58 1.58 7.81 31 G 7.99 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 32 I 8.34 4.17 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 1.20 0.92 1.00 0.00 0.00 33 K 8.54 4.37 0.00 1.78 1.60 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.36 0.99 7.81 34 F 7.44 4.86 0.00 3.11 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 35 E 9.10 4.68 0.00 2.18 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 2.30 2.40 0.00 36 Y 8.73 4.77 0.00 3.24 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 37 E 8.30 3.59 0.00 1.58 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 1.72 1.47 0.00 38 E 8.10 4.06 0.00 1.79 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 2.24 1.47 0.00 39 W 7.89 4.84 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.78 4.55 0.00 1.79 1.77 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.38 7.81 41 V 8.21 4.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.99 0.00 0.00 42 P 0.00 4.58 0.00 2.12 1.97 0.00 3.81 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.11 0.00 43 Y 7.80 4.89 0.00 3.02 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 44 V 8.28 4.25 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.91 0.00 0.00 45 I 8.12 4.35 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 1.61 0.76 0.95 0.00 0.00 46 P 0.00 4.34 0.00 2.05 2.01 0.00 3.72 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 2.05 2.12 0.00 47 A 8.32 4.27 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 48 S 8.21 4.75 0.00 3.93 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 49 N 8.47 4.89 0.00 2.67 2.76 0.00 0.00 6.74 8.16 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 50 H 8.36 4.96 0.00 3.07 3.21 0.00 5.84 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 T 8.23 4.77 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 52 Y 8.46 4.76 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 T 8.02 4.04 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 1.09 0.00 0.00 54 P 0.00 4.28 0.00 2.07 1.93 0.00 3.31 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 1.17 1.12 0.00 55 D 8.88 4.23 0.00 2.92 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 0.00 0.00 0.00 0.00 56 F 8.75 4.97 0.00 3.13 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 57 L 8.46 4.76 0.00 1.31 1.47 -0.07 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.62 4.48 0.00 1.89 1.66 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.25 0.00 2.03 2.12 0.00 3.67 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 2.03 2.08 0.00 60 N 8.17 4.60 0.00 2.98 3.03 0.00 0.00 6.37 7.04 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 61 G 8.27 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 I 7.52 4.16 1.93 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.55 0.80 0.00 0.00 63 F 9.24 5.06 0.00 3.17 2.96 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 64 V 9.31 4.95 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 1.22 0.00 0.00 1.19 0.00 0.00 65 E 9.50 5.13 0.00 2.31 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 2.27 2.21 0.00 66 T 9.04 4.68 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 1.40 0.00 0.00 67 K 8.99 4.18 0.00 1.43 1.08 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.69 1.44 7.81 68 G 9.26 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 69 L 9.00 4.34 0.00 1.73 1.70 1.08 0.96 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 70 W 8.99 4.83 0.00 2.60 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 0.00 0.00 0.00 71 E 8.27 4.18 0.00 1.99 1.79 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 2.42 2.40 0.00 72 S 8.47 3.76 0.00 3.77 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 73 D 7.87 4.23 0.00 2.64 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 74 D 7.62 4.23 0.00 2.65 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 0.00 0.00 0.00 0.00 75 R 7.11 3.10 0.00 1.18 0.66 0.00 2.21 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 76 K 7.86 3.92 0.00 1.85 1.79 0.00 1.59 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.53 7.81 77 K 7.98 3.77 0.00 1.82 1.88 0.00 1.41 0.00 0.00 1.50 0.00 0.00 2.74 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 1.34 7.81 78 H 8.14 4.02 0.00 3.69 3.55 0.00 5.87 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 79 L 7.95 4.06 0.00 1.86 1.71 0.78 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.21 3.98 0.00 1.81 1.70 0.88 1.02 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 81 I 7.95 3.79 1.84 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.74 0.95 0.00 0.00 82 R 7.84 4.01 0.00 1.99 2.02 0.00 3.26 0.00 0.00 3.22 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.90 0.00 83 E 7.96 4.10 0.00 1.99 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 0.00 2.31 2.48 0.00 84 Q 8.29 4.19 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.04 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 85 H 8.67 4.94 0.00 3.15 3.13 0.00 5.64 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 86 P 0.00 4.32 0.00 2.03 2.14 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.37 0.00 87 E 8.04 4.19 0.00 1.96 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 2.32 2.27 0.00 88 L 7.88 4.19 0.00 1.73 1.56 0.71 0.88 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 89 D 8.68 4.80 0.00 2.69 2.55 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 90 I 8.28 5.04 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 1.31 0.80 1.12 0.00 0.00 91 R 9.14 4.84 0.00 1.36 1.44 0.00 2.21 0.00 0.00 2.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.30 0.00 92 I 8.59 4.87 1.32 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.83 -0.62 0.00 0.00 93 V 8.65 4.72 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 1.02 0.00 0.00 0.92 0.00 0.00 94 F 9.11 5.24 0.00 3.34 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 95 S 9.14 4.30 0.00 3.92 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 96 S 8.01 4.44 0.00 3.84 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 97 S 9.15 3.84 0.00 3.83 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 0.00 98 R 7.35 4.09 0.00 1.79 1.95 0.00 3.18 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.59 0.00 99 T 6.98 3.60 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 0.81 0.00 0.00 100 K 7.96 4.42 0.00 1.57 1.50 0.00 1.87 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.29 1.27 7.81 101 L 8.15 4.23 0.00 1.29 1.75 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 102 Y 7.27 4.76 0.00 3.12 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 0.00 103 K 8.75 4.10 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.73 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.07 7.81 104 G 8.26 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 0.00 0.00 0.00 0.00 105 S 7.46 3.88 0.00 2.72 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 0.00 106 P 0.00 4.46 0.00 2.04 2.05 0.00 3.60 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.06 0.00 107 T 7.56 4.51 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 1.29 0.00 0.00 108 S 8.45 4.96 0.00 4.06 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 0.00 109 Y 8.20 4.57 0.00 2.49 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 0.00 0.00 0.00 110 G 8.13 2.82 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 0.00 111 E 8.28 4.20 0.00 2.20 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 2.36 2.32 0.00 112 F 8.42 4.14 0.00 3.24 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 C 8.46 4.37 0.00 2.77 3.42 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 0.00 114 E 8.57 4.10 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.90 0.00 115 K 8.08 3.88 0.00 1.69 1.83 0.00 1.68 0.00 0.00 1.51 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.90 1.29 7.81 116 H 7.53 4.77 0.00 2.95 3.19 0.00 6.00 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.66 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 0.00 118 I 7.96 4.41 2.10 0.00 0.00 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 1.39 0.77 1.06 0.00 0.00 119 K 8.70 4.56 0.00 1.44 1.50 0.00 1.43 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.39 7.81 120 F 8.67 5.81 0.00 3.45 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 9.22 4.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.39 5.38 0.00 2.57 2.63 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 0.00 123 K 9.67 4.17 0.00 1.83 1.93 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.41 7.81 124 L 7.14 4.74 0.00 1.44 1.38 0.86 0.76 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 0.00 125 I 7.89 3.51 1.71 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.30 0.88 0.00 0.00 126 P 0.00 3.97 0.00 1.22 1.61 0.00 2.20 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.39 0.00 127 A 8.54 3.98 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 0.00 128 E 8.11 4.03 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 129 W 7.99 4.75 0.00 3.43 3.15 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 0.00 0.00 0.00 0.00 130 I 7.88 3.82 2.04 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 1.65 0.51 0.92 0.00 0.00 131 K 7.62 4.21 0.00 1.85 1.87 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.47 1.63 7.81 132 E 7.62 4.10 0.00 2.21 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 2.36 2.55 0.00 133 P 0.00 4.38 0.00 2.17 2.07 0.00 3.78 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 134 K 8.48 4.43 0.00 1.79 1.76 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.46 7.81 135 K 8.46 4.80 0.00 1.71 1.69 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.47 1.35 7.81 136 E 8.81 4.27 0.00 1.78 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 2.23 1.88 0.00 137 V 8.20 4.18 1.16 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 0.16 0.00 0.00 0.74 0.00 0.00 138 P 0.00 4.71 0.00 2.24 2.18 0.00 3.64 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 1.99 1.95 0.00 139 F 8.02 4.29 0.00 3.22 3.15 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 0.00 0.00 0.00 0.00 140 D 8.23 4.47 0.00 2.82 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 0.00 141 R 7.94 4.27 0.00 1.92 2.03 0.00 3.15 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 142 L 7.75 4.68 0.00 1.88 1.65 0.79 0.52 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 0.00 143 K 8.33 4.59 0.00 1.72 1.54 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 0.95 7.81 144 R 8.61 4.29 0.00 1.82 1.75 0.00 3.24 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 145 K 8.48 4.26 0.00 1.77 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.01 7.81