NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9818 8.3549 109.7391 45.5201 0.0000 172.6737 2 L 4.3977 8.2054 118.6256 51.0791 43.6984 175.3793 3 S 4.5449 9.5699 118.7534 57.7841 66.3038 174.9817 4 D 4.6426 8.6971 121.7277 57.5528 40.5219 179.2708 5 G 3.6579 8.1029 105.7383 47.8713 0.0000 175.4763 6 E 3.9286 8.1478 120.9798 58.9580 29.3775 179.4670 7 W 4.2974 8.3427 119.3002 59.7936 29.0799 178.3574 8 Q 4.0604 8.5077 119.6928 59.2273 28.3946 178.3624 9 Q 4.0289 8.1079 119.1787 58.8444 28.7583 178.6728 10 V 3.6914 8.1021 119.4823 66.3583 31.4304 178.2053 11 L 4.2311 8.1907 116.8643 57.2145 41.6834 178.8254 12 N 4.5135 8.2210 117.7552 56.6886 39.0105 177.1064 13 V 3.6053 8.2143 119.9904 65.7231 31.5451 177.7615 14 W 4.2325 8.6025 128.2031 59.9643 30.2537 178.0675 15 G 3.6400 7.8243 105.2707 47.5100 0.0000 175.6376 16 K 3.9594 7.7634 120.5727 59.3504 32.0641 179.4662 17 V 2.6694 7.0077 117.8380 65.7802 31.0439 177.7056 18 E 3.8609 7.5278 116.4808 58.7285 29.2613 178.7464 19 A 4.2006 7.3194 119.9789 53.8703 19.8833 177.6419 20 D 4.6602 7.7967 116.4807 52.0708 42.5837 175.1343 21 I 3.5884 7.8543 123.6910 63.8902 38.4656 176.6835 22 A 4.1506 7.4025 122.5714 54.4094 18.2892 179.7462 23 G 3.5546 8.0485 105.2790 47.7977 0.0000 175.7857 24 H 4.1753 8.4090 119.3255 58.2676 28.6800 178.1909 25 G 3.5352 8.3478 107.9385 47.6945 0.0000 175.4747 26 Q 3.8349 8.2011 122.3807 59.0455 29.0476 178.2820 27 E 3.8742 8.0990 119.4986 59.1850 29.4007 179.6188 28 V 3.5056 7.9081 118.4470 66.0568 31.5898 178.1593 29 L 3.4516 7.7471 118.6548 57.5755 41.2369 179.6071 30 I 3.5697 7.7829 120.1516 64.2218 37.0026 178.4530 31 R 3.7868 8.0973 119.8404 59.0987 29.8433 178.3071 32 L 3.9478 7.7984 120.0773 58.2775 42.1627 179.0176 33 F 4.5489 8.0578 118.2906 60.8893 38.6399 177.8885 34 T 4.1090 8.1623 108.8208 64.8174 68.7355 176.6758 35 G 3.6442 7.9949 107.5224 46.0696 0.0000 173.5881 36 H 4.7236 8.1437 117.7485 51.7545 29.8365 171.6587 37 P 4.4265 0.0000 0.0000 64.6160 31.5216 177.4733 38 E 4.1122 8.2433 116.1592 59.4672 29.5487 179.1115 39 T 3.7769 8.0863 111.0094 64.5123 68.6840 176.1523 40 L 3.5260 7.8547 122.7441 57.9440 41.8033 178.7937 41 E 4.0943 7.8834 117.0475 58.8732 29.4363 178.8394 42 K 4.4650 7.9901 117.0937 56.9818 32.7585 177.5134 43 F 4.6379 8.0844 119.1838 55.4722 39.2758 175.7354 44 D 4.3696 8.6265 124.5223 56.4897 40.8999 177.9113 45 K 4.2681 7.8158 115.6652 56.8926 33.2057 176.7098 46 F 5.0605 8.0815 117.2576 57.0517 40.6862 176.9986 47 K 3.9343 8.1822 120.0249 59.2265 31.9667 177.7919 48 H 4.3018 8.0923 113.0177 57.3263 28.7636 175.3019 49 L 4.2125 7.5893 121.2251 54.7686 41.0627 176.6060 50 K 4.3294 9.1700 124.5911 57.1043 33.3611 177.4203 51 T 4.7390 7.3403 107.8718 58.9874 73.1943 174.3017 52 E 3.9589 8.6416 121.2124 59.1028 29.6529 178.8199 53 A 3.9820 7.9073 120.6910 55.2077 18.3314 179.2669 54 E 3.9683 7.9497 115.9486 59.6130 29.7478 179.3337 55 M 4.1413 7.9604 118.7666 58.4257 31.9182 178.8243 56 K 3.9419 8.3025 118.2548 58.8891 32.4210 177.7154 57 A 4.4901 7.7145 118.6656 51.3941 19.1158 176.8859 58 S 4.3856 7.5939 114.0891 57.3435 62.6907 174.7395 59 E 4.0722 8.8120 128.5770 59.3465 29.2316 178.6553 60 D 4.4488 8.1574 117.8791 57.0022 41.3005 177.8703 61 L 3.6210 7.9708 120.8348 57.6735 42.0011 178.7991 62 K 3.8685 7.8853 119.5495 59.1731 32.1302 178.6865 63 K 3.9320 8.2257 120.0694 59.9879 32.2180 178.3750 64 H 4.4509 8.9536 118.9463 58.9940 29.7699 177.4245 65 G 3.6275 8.3395 108.1860 48.0758 0.0000 175.8777 66 T 3.9304 7.9844 118.2408 66.2203 68.5627 177.0699 67 V 3.6553 7.8024 120.2418 65.8819 31.6042 178.2337 68 V 3.6220 8.1725 118.2958 66.2630 31.4817 178.1191 69 L 4.2890 8.1190 118.5792 57.9471 41.4422 179.6423 70 T 4.0510 8.2497 115.8168 66.4240 68.3443 176.5761 71 A 3.9919 7.9899 122.4017 55.1630 18.4062 179.4319 72 L 3.7249 8.0541 119.0392 58.0621 42.0976 179.3955 73 G 3.0829 8.6589 106.1582 47.4926 0.0000 175.8831 74 G 3.6068 7.8802 107.1619 47.5093 0.0000 175.5735 75 I 3.8464 7.5999 122.1952 64.1477 37.0615 178.5425 76 L 3.9460 7.8279 120.1027 57.6485 41.1600 179.6383 77 K 3.8599 7.6302 117.0307 58.4891 32.2242 178.6264 78 K 3.9669 7.8322 117.9929 55.8239 32.6805 176.5414 79 K 2.0000 8.4286 118.7064 56.4478 29.9636 174.1482 80 G 4.0515 7.8561 105.7700 46.3007 0.0000 174.3025 81 H 4.4879 7.4280 118.2264 55.0113 27.3412 174.8204 82 H 5.5295 7.3155 111.3768 54.2219 29.7534 176.1704 83 E 3.9095 8.6079 122.4889 60.2732 29.0260 178.6798 84 A 4.0194 7.9137 118.6343 55.0961 18.0621 178.9079 85 E 4.1247 8.1068 116.7130 59.0652 29.7084 178.8955 86 L 4.0664 8.5970 120.7854 57.6811 42.1577 178.3123 87 K 3.8106 8.3530 120.2618 59.3611 32.0108 176.6678 88 P 4.2410 0.0000 0.0000 65.9786 30.9923 178.2663 89 L 4.0219 7.4956 115.0812 57.5417 41.6073 179.2291 90 A 4.0718 8.1775 120.8196 55.4005 18.3317 179.7737 91 Q 3.9450 8.3985 116.9652 59.0379 28.7767 179.0968 92 S 4.1365 8.3671 115.5599 61.7043 63.0469 176.2718 93 H 4.3336 8.6735 119.4833 57.7888 28.3048 177.5055 94 A 2.5800 7.7320 122.6016 54.3947 18.5508 179.6461 95 T 3.7446 7.6606 112.9816 65.8532 68.7576 176.2932 96 K 4.0300 7.3507 119.8173 59.0005 32.6686 177.2646 97 H 4.3945 8.0520 113.7747 55.8177 29.2833 175.3101 98 K 3.5311 7.3980 116.7697 56.1491 29.1553 176.4041 99 I 4.2350 8.3144 120.7134 59.1624 37.4054 174.9637 100 P 4.5823 0.0000 0.0000 62.2864 31.9752 177.3719 101 I 3.6495 8.6218 119.5262 64.0687 37.6783 178.0546 102 K 3.7123 7.8720 120.2173 59.6570 31.9253 178.1581 103 Y 4.2393 8.0082 116.9557 60.9308 37.8515 178.3018 104 L 4.1775 7.8554 119.5580 57.2829 41.7622 178.9559 105 E 3.9604 7.8572 119.2416 59.2012 29.6174 178.6392 106 F 4.5197 7.9559 117.8683 60.9785 39.0555 177.6426 107 I 3.8529 8.3014 118.0901 63.9267 37.8450 178.1915 108 S 4.2231 8.1867 116.1392 61.8347 62.6638 176.3779 109 D 4.4974 8.3677 121.3321 57.2400 40.4170 178.7378 110 A 4.0470 8.2491 121.5433 55.1445 18.3598 179.7771 111 I 3.7035 7.9543 118.4432 64.5798 37.0409 178.7472 112 I 3.9323 7.8373 120.3826 64.5397 36.9346 177.9617 113 H 4.1698 8.6216 119.3684 59.3861 29.7614 177.5138 114 V 3.5757 8.1642 120.3217 65.9307 31.3160 177.9379 115 L 3.9035 7.9159 118.7661 58.1229 41.4453 179.2862 116 H 4.4123 8.1256 116.1169 58.7999 28.4150 177.8917 117 S 4.1481 7.9865 114.2615 61.2351 62.3656 175.9410 118 K 4.0933 8.2723 119.7625 57.7817 33.1156 176.7184 119 H 4.9523 8.2168 116.3578 53.5684 29.4242 172.0079 120 P 4.4873 0.0000 0.0000 63.7611 31.7273 177.3738 121 G 4.0059 9.1559 110.3724 45.7447 0.0000 172.7794 122 D 5.0041 8.3664 118.2896 53.7061 41.9006 176.0802 123 F 5.0600 8.1031 119.0218 54.3274 39.4444 174.4306 124 G 3.8426 8.1832 111.7426 43.9187 0.0000 170.6243 125 A 3.8843 8.4309 122.2299 55.1706 18.2822 179.8529 126 D 4.2469 8.0024 116.8504 56.4432 39.4540 178.5255 127 A 4.0582 7.7146 121.7192 54.9931 18.4527 179.2285 128 Q 3.5540 7.8902 118.5877 58.8744 29.0281 178.6113 129 G 3.5177 8.0485 106.5527 47.7532 0.0000 175.5496 130 A 3.8716 8.0853 123.7960 54.9794 18.4011 179.4173 131 M 4.0538 8.3284 116.8660 58.9491 32.2083 178.5997 132 T 3.8969 8.1812 116.1079 66.5474 68.6082 176.5747 133 K 3.9733 7.9976 120.0848 59.6023 32.0910 179.1655 134 A 3.8660 7.8910 120.7441 55.2302 18.2996 179.7142 135 L 4.1543 8.2191 117.3935 57.7162 41.6288 179.5369 136 E 4.0746 8.4458 119.1741 58.9679 29.3402 178.9268 137 L 3.9602 8.2134 120.6735 58.0750 42.3051 178.7509 138 F 4.1386 8.3321 120.5720 61.4126 39.2795 177.0622 139 R 3.5473 8.1822 118.2415 59.3742 30.0217 178.0107 140 N 4.2335 8.7125 117.2499 56.7217 38.5839 176.6510 141 D 4.3870 8.3086 120.4756 57.0212 40.7843 178.8426 142 I 3.4983 7.2997 119.9680 64.0255 37.0138 177.9979 143 A 3.7196 7.9819 121.7396 55.1237 18.0979 179.5373 144 A 3.9400 7.8232 118.7494 55.3901 18.5848 180.1090 145 K 4.0650 7.7363 116.5450 59.6132 32.0235 179.3495 146 Y 4.2712 8.3127 117.5536 60.9861 37.8839 178.2430 147 K 3.9941 8.4350 120.7527 59.2678 32.0496 178.3253 148 E 3.9349 8.0322 118.8904 59.4039 29.7101 178.4577 149 L 4.3042 7.8398 115.7621 54.7711 41.8836 177.6724 150 G 3.8771 7.6573 106.5844 46.0874 0.0000 173.2875 151 F 4.4030 8.1588 121.6548 57.2441 40.0839 175.6118 152 Q 3.7486 7.1695 125.0014 55.9002 29.3163 175.1579 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 G 8.35 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 0.00 0.00 0.00 2 L 8.21 4.40 0.00 0.38 0.68 0.52 -0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.57 4.54 0.00 4.03 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 4 D 8.70 4.64 0.00 2.77 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 G 8.10 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.15 3.93 0.00 2.03 1.73 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 2.23 2.27 0.00 7 W 8.34 4.30 0.00 3.51 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 8 Q 8.51 4.06 0.00 2.30 2.33 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 2.41 2.46 0.00 9 Q 8.11 4.03 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.55 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 10 V 8.10 3.69 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 1.20 0.00 0.00 0.82 0.00 0.00 11 L 8.19 4.23 0.00 1.75 1.81 0.91 1.31 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 12 N 8.22 4.51 0.00 2.96 3.02 0.00 0.00 6.65 7.77 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 13 V 8.21 3.61 2.37 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 0.79 0.00 0.00 1.23 0.00 0.00 14 W 8.60 4.23 0.00 3.59 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.82 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 16 K 7.76 3.96 0.00 1.62 1.46 0.00 1.36 0.00 0.00 0.87 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.26 7.81 17 V 7.01 2.67 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 0.00 0.00 0.09 0.00 0.00 0.19 0.00 0.00 18 E 7.53 3.86 0.00 1.96 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 2.31 2.10 0.00 19 A 7.32 4.20 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 20 D 7.80 4.66 0.00 2.71 2.52 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 21 I 7.85 3.59 1.79 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.30 0.89 0.00 0.00 22 A 7.40 4.15 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 23 G 8.05 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 0.00 0.00 0.00 24 H 8.41 4.18 0.00 3.15 3.21 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 8.35 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.20 3.83 0.00 2.11 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 27 E 8.10 3.87 0.00 1.97 1.91 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 2.25 2.41 0.00 28 V 7.91 3.51 2.17 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 1.02 0.00 0.00 0.98 0.00 0.00 29 L 7.75 3.45 0.00 1.46 0.75 0.79 0.51 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 30 I 7.78 3.57 1.76 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 1.34 0.70 0.86 0.00 0.00 31 R 8.10 3.79 0.00 1.93 2.09 0.00 3.01 0.00 0.00 2.91 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 32 L 7.80 3.95 0.00 1.80 1.48 1.08 1.01 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 F 8.06 4.55 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.16 4.11 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 1.32 0.00 0.00 35 G 7.99 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 36 H 8.14 4.72 0.00 3.05 3.09 0.00 5.65 0.00 0.00 0.00 0.00 6.85 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 4.43 0.00 2.15 2.12 0.00 3.85 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 2.10 2.01 0.00 38 E 8.24 4.11 0.00 2.31 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 2.30 2.60 0.00 39 T 8.09 3.78 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 40 L 7.85 3.53 0.00 1.52 1.74 -0.13 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.88 4.09 0.00 2.27 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 7.99 4.47 0.00 1.98 1.81 0.00 1.94 0.00 0.00 1.81 0.00 0.00 3.21 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.78 2.00 7.81 43 F 8.08 4.64 0.00 3.22 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 44 D 8.63 4.37 0.00 2.62 2.73 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 45 K 7.82 4.27 0.00 1.60 1.72 0.00 1.30 0.00 0.00 1.48 0.00 0.00 2.76 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.78 0.21 7.81 46 F 8.08 5.06 0.00 2.79 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 47 K 8.18 3.93 0.00 1.76 1.89 0.00 1.87 0.00 0.00 1.96 0.00 0.00 3.07 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.81 7.81 48 H 8.09 4.30 0.00 3.25 3.46 0.00 5.72 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 7.59 4.21 0.00 1.63 1.60 0.81 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.17 4.33 0.00 1.72 1.85 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.51 7.81 51 T 7.34 4.74 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 52 E 8.64 3.96 0.00 2.04 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 2.35 2.36 0.00 53 A 7.91 3.98 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 7.95 3.97 0.00 2.13 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 2.36 0.00 55 M 7.96 4.14 0.00 2.06 2.27 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 2.86 2.54 0.00 56 K 8.30 3.94 0.00 1.65 1.88 0.00 1.80 0.00 0.00 1.66 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.48 7.81 57 A 7.71 4.49 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 58 S 7.59 4.39 0.00 4.05 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 59 E 8.81 4.07 0.00 2.06 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 2.42 2.32 0.00 60 D 8.16 4.45 0.00 2.92 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 61 L 7.97 3.62 0.00 1.38 1.63 0.73 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.89 3.87 0.00 1.80 2.01 0.00 1.69 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.42 7.81 63 K 8.23 3.93 0.00 2.05 2.05 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 64 H 8.95 4.45 0.00 3.75 3.52 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 65 G 8.34 3.63 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 0.00 0.00 0.00 66 T 7.98 3.93 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 67 V 7.80 3.66 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 1.05 0.00 0.00 1.03 0.00 0.00 68 V 8.17 3.62 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 1.06 0.00 0.00 1.04 0.00 0.00 69 L 8.12 4.29 0.00 1.80 1.85 0.83 0.69 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 70 T 8.25 4.05 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 1.26 0.00 0.00 71 A 7.99 3.99 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 72 L 8.05 3.72 0.00 1.59 1.80 -0.01 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.66 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 0.00 0.00 0.00 74 G 7.88 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 75 I 7.60 3.85 1.90 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.70 0.97 0.00 0.00 76 L 7.83 3.95 0.00 1.19 1.49 0.18 1.19 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 77 K 7.63 3.86 0.00 1.76 1.77 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.13 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.52 7.81 78 K 7.83 3.97 0.00 1.91 1.77 0.00 1.89 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.58 7.81 79 K 8.43 2.00 0.00 1.09 0.74 0.00 1.37 0.00 0.00 1.55 0.00 0.00 2.80 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.63 1.04 7.81 80 G 7.86 4.05 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 0.00 0.00 0.00 81 H 7.43 4.49 0.00 3.15 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.32 5.53 0.00 3.26 3.43 0.00 5.66 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.91 0.00 2.11 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 2.39 2.47 0.00 84 A 7.91 4.02 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 8.11 4.12 0.00 2.24 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 2.39 2.42 0.00 86 L 8.60 4.07 0.00 1.70 1.69 0.73 0.51 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 87 K 8.35 3.81 0.00 2.08 1.82 0.00 1.88 0.00 0.00 1.70 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.48 7.81 88 P 0.00 4.24 0.00 2.32 2.32 0.00 3.72 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.17 0.00 89 L 7.50 4.02 0.00 1.94 1.77 1.03 0.76 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 90 A 8.18 4.07 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 91 Q 8.40 3.95 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.58 0.00 92 S 8.37 4.14 0.00 3.93 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 93 H 8.67 4.33 0.00 3.49 3.56 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 7.73 2.58 0.37 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 95 T 7.66 3.74 4.15 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 1.11 0.00 0.00 96 K 7.35 4.03 0.00 1.53 1.56 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.26 1.35 7.81 97 H 8.05 4.39 0.00 2.99 3.15 0.00 5.86 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 98 K 7.40 3.53 0.00 1.93 2.02 0.00 1.84 0.00 0.00 2.43 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.30 1.35 7.81 99 I 8.31 4.24 2.09 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.93 1.18 0.00 0.00 100 P 0.00 4.58 0.00 1.91 1.89 0.00 3.09 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.22 0.00 101 I 8.62 3.65 1.89 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.07 0.88 0.00 0.00 102 K 7.87 3.71 0.00 1.74 1.59 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 0.65 7.81 103 Y 8.01 4.24 0.00 3.25 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 0.00 104 L 7.86 4.18 0.00 1.81 1.76 0.67 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.86 3.96 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 106 F 7.96 4.52 0.00 3.30 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 0.00 107 I 8.30 3.85 2.04 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.41 1.10 0.00 0.00 108 S 8.19 4.22 0.00 4.22 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 0.00 109 D 8.37 4.50 0.00 2.99 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 0.00 110 A 8.25 4.05 1.40 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 0.00 0.00 0.00 0.00 0.00 111 I 7.95 3.70 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.98 0.99 0.00 0.00 112 I 7.84 3.93 2.16 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 1.14 0.00 0.00 113 H 8.62 4.17 0.00 3.37 3.54 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.16 3.58 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 0.87 0.00 0.00 0.96 0.00 0.00 115 L 7.92 3.90 0.00 1.33 0.63 0.49 0.68 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 0.00 116 H 8.13 4.41 0.00 3.34 3.36 0.00 5.62 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 0.00 117 S 7.99 4.15 0.00 3.81 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 0.00 118 K 8.27 4.09 0.00 1.54 1.49 0.00 1.65 0.00 0.00 1.30 0.00 0.00 2.50 0.00 0.00 2.37 0.00 0.00 0.00 0.00 1.29 1.46 7.81 119 H 8.22 4.95 0.00 3.22 3.18 0.00 5.63 0.00 0.00 0.00 0.00 6.76 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 4.49 0.00 2.19 2.16 0.00 3.47 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.92 0.00 121 G 9.16 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 0.00 122 D 8.37 5.00 0.00 2.62 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 8.10 5.06 0.00 2.78 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.18 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 0.00 0.00 0.00 125 A 8.43 3.88 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 8.00 4.25 0.00 2.93 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 0.00 127 A 7.71 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 0.00 128 Q 7.89 3.55 0.00 1.20 1.90 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 2.22 0.00 129 G 8.05 3.52 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 0.00 130 A 8.09 3.87 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 0.00 131 M 8.33 4.05 0.00 2.42 2.37 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.80 0.00 132 T 8.18 3.90 4.40 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 0.00 0.00 1.23 0.00 0.00 133 K 8.00 3.97 0.00 1.83 1.66 0.00 1.60 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 134 A 7.89 3.87 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 0.00 135 L 8.22 4.15 0.00 1.91 1.83 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.45 4.07 0.00 2.17 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 2.35 2.49 0.00 137 L 8.21 3.96 0.00 1.88 2.00 1.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.33 4.14 0.00 3.16 3.29 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 0.00 139 R 8.18 3.55 0.00 2.15 2.05 0.00 3.20 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 140 N 8.71 4.23 0.00 2.94 2.78 0.00 0.00 7.26 9.08 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 0.00 141 D 8.31 4.39 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 7.30 3.50 1.47 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.08 0.16 0.00 0.00 143 A 7.98 3.72 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 0.00 144 A 7.82 3.94 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 7.74 4.07 0.00 2.01 1.95 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.31 4.27 0.00 3.20 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 K 8.43 3.99 0.00 1.86 1.98 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.46 7.81 148 E 8.03 3.93 0.00 2.17 2.25 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 2.34 2.38 0.00 149 L 7.84 4.30 0.00 1.83 1.69 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.66 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 0.00 151 F 8.16 4.40 0.00 2.74 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 7.17 3.75 0.00 1.71 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.42 0.00 0.00 0.00 0.00 0.00 2.08 2.12 0.00