NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4348 8.3044 118.1954 55.2295 32.5426 174.4318 1 V 4.2001 7.8707 118.5682 60.8762 34.1565 173.1595 2 L 4.2697 8.3376 127.8663 54.0078 43.4937 177.0392 3 S 4.5169 8.7712 118.0475 57.7706 65.2585 175.1820 4 E 4.3387 8.8092 122.0908 59.3824 29.3154 178.9324 5 G 3.6030 8.0809 105.5534 47.5077 0.0000 175.5792 6 E 3.8805 8.0371 120.3996 59.1373 29.4877 179.2278 7 W 4.3738 8.0366 118.9273 59.9713 29.0734 178.5120 8 Q 4.1214 8.5863 118.1284 59.0957 28.0817 178.8970 9 L 4.0719 7.9479 119.8885 57.8571 41.6650 179.8485 10 V 3.7664 7.9278 118.1147 66.1018 31.6018 177.8954 11 L 4.3694 8.6651 118.2495 56.9901 41.2210 178.8367 12 H 4.3198 8.4312 119.4061 59.1753 29.9403 177.5180 13 V 3.4275 7.7959 121.0907 64.2481 31.3237 178.1504 14 W 3.8045 8.5649 129.0303 60.1284 30.2500 177.7667 15 A 3.9691 7.9770 120.0496 54.7032 18.0094 179.6274 16 K 3.9093 7.2829 116.9782 59.4871 32.2089 179.3400 17 V 2.7636 7.0916 118.4389 66.0270 30.9813 177.7591 18 E 3.8644 7.5646 115.5914 58.2818 29.2875 178.5627 19 A 4.2474 7.4644 120.2458 53.5267 19.9560 177.6985 20 D 4.6401 7.7486 116.6593 52.1971 42.8439 175.5491 21 V 3.4897 7.9119 123.0166 65.3122 32.0093 176.8801 22 A 4.1101 7.9466 120.3640 54.8984 18.3393 179.6891 23 G 3.8040 8.3103 105.6365 47.7338 0.0000 175.7537 24 H 4.1175 8.3036 118.9433 58.3232 28.7184 177.8215 25 G 3.7540 8.3760 108.0400 48.0971 0.0000 175.4683 26 Q 3.9063 8.0327 120.5725 58.6528 28.8033 178.5781 27 D 4.3174 7.8545 119.6243 57.6055 40.8314 179.1362 28 I 3.6682 7.7890 119.9969 64.5052 37.0811 178.6199 29 L 3.5210 7.8029 119.7125 57.5398 41.2870 179.6526 30 I 3.7944 7.8013 120.0029 64.1980 36.9543 178.4274 31 R 3.8164 7.9998 119.7041 59.0837 29.8612 178.3751 32 L 3.8981 7.8297 120.3065 58.3658 41.6500 179.1197 33 F 4.8037 8.1396 117.8700 60.2548 38.5529 177.9072 34 K 4.1041 8.2861 118.2269 59.2571 32.0047 179.2006 35 S 4.3597 8.0615 114.8147 60.1891 63.8975 174.2440 36 H 4.7109 8.4381 119.5388 52.4543 29.5078 172.0524 37 P 4.6168 0.0000 0.0000 63.9907 31.5809 177.6030 38 E 4.3852 8.4548 118.2002 58.9037 29.5479 179.0236 39 T 3.8541 8.3188 111.2261 64.3845 68.7956 176.2688 40 L 3.7925 8.0160 122.9103 57.7199 41.5746 178.5894 41 E 4.0909 8.1964 118.0692 58.8116 29.1181 178.8009 42 K 4.3402 8.1100 117.2648 56.8738 32.4813 176.7755 43 F 4.2105 7.7964 119.2040 55.6636 38.5804 176.3300 44 D 4.3967 8.2539 126.5035 56.4776 41.1362 178.3395 45 R 4.0709 7.6483 119.1589 58.6841 30.5387 176.8137 46 F 5.1013 7.3016 113.6807 55.7970 37.9214 176.0896 47 K 4.1419 8.1987 120.9290 59.9275 33.1288 177.2524 48 H 4.4210 8.1275 114.0166 56.6225 28.9726 175.6161 49 L 4.0699 7.3556 121.6059 55.2328 41.7907 176.9438 50 K 4.3685 9.5398 122.7049 56.9396 33.7944 176.6978 51 T 4.7318 7.4531 107.6376 58.8531 73.1294 174.3291 52 E 3.8690 8.5895 120.6721 59.3011 29.7648 178.3272 53 A 3.9718 7.9980 120.3347 55.3831 18.2105 179.3065 54 E 3.9326 7.9186 115.8035 59.7014 29.7837 179.1135 55 M 4.1277 8.1669 118.9112 58.4794 31.8332 179.0197 56 K 3.9655 8.1922 117.4012 58.9600 32.3059 178.4027 57 A 4.3942 7.5032 117.9169 51.3629 19.3607 177.0193 58 S 4.2695 7.4566 114.4388 57.4663 63.1527 174.6433 59 E 4.0389 8.7984 128.4720 59.1408 29.5129 178.3352 60 D 4.4733 8.0702 118.8568 57.2038 40.9572 178.2227 61 L 3.1876 7.6514 120.8899 57.7291 41.9895 178.9444 62 K 3.8889 7.8629 119.2015 59.2194 32.0784 178.9548 63 K 3.9628 8.1905 118.8831 59.7068 31.9875 178.5963 64 Y 4.3339 8.2050 119.8223 60.5817 38.7024 178.2093 65 G 3.5582 8.2890 106.7964 47.9232 0.0000 175.7270 66 V 3.5868 7.7230 120.8836 65.8288 31.5130 178.1270 67 T 3.8269 7.8618 115.4766 66.5939 68.2240 176.7008 68 V 3.4578 7.5953 120.2692 66.1307 31.5151 178.1945 69 L 4.1883 7.9094 118.5755 57.9167 41.5174 179.7234 70 T 3.9609 8.2653 116.0486 66.4535 68.3006 176.7423 71 A 3.9884 8.0540 122.7939 55.0847 18.3480 179.4937 72 L 3.7122 8.2793 119.3942 58.0274 42.1199 179.3754 73 G 3.3064 8.4759 105.8771 47.6294 0.0000 175.5394 74 A 4.0453 7.6707 121.8194 54.6960 18.7342 179.5893 75 I 3.8025 7.3106 118.4049 64.5056 37.2390 178.5868 76 L 3.9830 7.8612 120.1274 57.6338 41.1579 179.6735 77 K 3.9732 7.7507 117.2567 58.7489 32.2257 179.1335 78 K 3.9054 7.7810 118.5177 56.6227 32.0586 176.9578 79 K 2.0000 8.1552 117.5479 56.4773 29.6753 175.8530 80 G 4.0377 8.0311 106.9826 45.9963 0.0000 174.6458 81 H 4.8159 7.6303 118.1762 54.2273 27.2297 174.7278 82 H 5.2072 7.1737 111.9808 54.0958 29.7846 176.4066 83 E 3.9593 8.5199 121.4449 60.0411 28.9927 179.1766 84 A 4.0271 7.8784 118.3067 55.4003 19.2500 178.9112 85 E 4.0658 8.2825 116.5741 59.7434 29.4229 179.4514 86 L 3.9740 8.2618 118.5934 57.3196 41.7046 178.8811 87 K 3.9711 7.8813 119.0869 59.1412 31.9859 177.2582 88 P 4.3249 0.0000 0.0000 65.8334 31.1911 178.2987 89 L 4.0215 7.5086 118.5740 58.0596 42.0053 178.7868 90 A 4.2364 8.4391 121.1850 55.0270 18.3136 179.4025 91 Q 3.8883 8.2815 118.3914 59.4269 29.1427 178.7181 92 S 4.0215 8.0780 115.3115 61.8732 62.9682 176.1223 93 H 4.1373 8.7194 119.5300 57.9818 28.2376 177.3517 94 A 2.7269 8.0895 122.1580 53.5460 18.5761 178.6678 95 T 4.0162 7.4340 112.6577 64.1687 69.8592 175.6907 96 K 4.1063 7.4424 119.7645 58.5238 33.1153 177.0397 97 H 4.2733 7.9371 114.6638 56.4971 29.3301 174.8244 98 K 3.3293 7.5222 117.0487 56.6051 27.9389 174.5272 99 I 4.3480 8.0837 119.4308 58.4510 38.8193 174.7914 100 P 4.5277 0.0000 0.0000 62.3454 32.1303 177.3622 101 I 3.6583 8.1560 121.1721 64.5970 36.9168 178.5298 102 K 3.7971 7.9910 119.8597 59.9267 31.8447 178.2135 103 Y 4.1307 7.9886 116.8373 60.8536 37.7650 178.2450 104 L 4.1958 7.9077 119.6898 57.7268 41.7895 179.0823 105 E 4.0039 8.1938 118.5652 59.4467 29.4304 179.3119 106 F 4.5250 7.8184 117.7079 60.9440 38.9427 177.7143 107 I 3.8964 8.1648 117.8668 63.9502 37.7497 178.1030 108 S 4.2253 8.1516 116.4264 61.5263 62.6227 176.3926 109 E 4.0730 8.5633 121.1726 59.4525 29.2714 179.2980 110 A 4.1030 8.1780 120.7674 54.9402 18.2626 179.9000 111 I 3.6975 8.0602 118.8404 64.7962 37.2126 178.7112 112 I 3.8060 7.9689 120.5531 64.4916 36.8172 178.1373 113 H 4.1597 8.3529 119.3768 59.2577 29.6728 177.5776 114 V 3.5737 7.9102 120.1181 65.8263 31.2925 178.0088 115 L 3.7557 8.0209 119.1282 57.8315 41.0800 178.7814 116 H 4.3294 7.9553 117.1577 59.5598 29.8459 177.1747 117 S 4.1677 7.8934 115.5752 61.7062 62.7711 176.5205 118 R 4.0265 7.8994 119.3969 57.6172 31.4464 176.8557 119 H 5.0116 7.9965 114.8834 53.9279 28.9965 173.1212 120 P 4.3602 0.0000 0.0000 65.4557 31.9981 179.4825 121 G 3.7145 8.0987 106.7865 47.2871 0.0000 173.8366 122 N 4.9667 8.1463 115.3609 52.9806 39.2365 174.7245 123 F 4.9916 7.8282 119.3157 56.7512 39.7531 175.0193 124 G 3.8740 7.7236 108.4657 44.2493 0.0000 172.1927 125 A 3.8715 8.3707 120.6436 55.3135 18.4404 179.7731 126 D 4.1769 7.9420 116.7002 57.4931 40.9265 178.7703 127 A 3.9577 7.7588 120.7717 55.0324 18.3191 179.3262 128 Q 3.1553 7.9217 118.7297 58.7931 28.9353 178.5891 129 G 3.4768 8.1456 107.0021 47.6031 0.0000 175.6294 130 A 3.8487 8.0039 123.1840 54.9594 18.3468 179.4191 131 M 3.9713 8.3905 117.1975 58.7344 32.3013 177.8403 132 N 4.2987 8.4576 117.5672 56.6480 39.0247 176.5923 133 K 3.8056 8.1964 120.7905 59.5744 32.2014 178.5995 134 A 3.8302 8.0695 121.0507 55.0023 18.1431 179.4886 135 L 4.1583 8.1979 117.4904 57.5037 41.8098 179.4163 136 E 3.9740 8.4786 119.0984 59.1053 29.3545 178.8776 137 L 3.9161 8.1714 120.6275 58.1647 42.1545 178.5150 138 F 4.1576 8.4296 120.5456 61.6919 39.1862 177.2775 139 R 3.3835 8.2791 117.6677 58.8625 29.8242 178.9559 140 K 3.8080 8.4173 119.6827 59.7594 32.2653 178.6656 141 D 4.3616 8.1863 119.1152 57.2693 40.5812 178.9026 142 I 3.4934 7.5886 120.3555 64.0083 37.0012 178.2000 143 A 3.6654 7.9707 121.8132 55.0761 18.2480 179.5975 144 A 3.9896 7.9820 119.2046 55.0760 18.4128 179.9989 145 K 4.0718 7.9556 117.1449 59.4313 32.0698 179.0869 146 Y 4.3709 8.3687 117.5811 61.1518 37.8330 178.5699 147 K 3.9346 8.1755 120.3910 59.7643 32.0526 178.6807 148 E 4.0748 7.9876 117.2329 58.9660 29.4594 178.5759 149 L 4.3480 7.8659 117.3036 55.2992 41.9564 177.7317 150 G 4.0465 8.0655 107.3675 45.3876 0.0000 173.1915 151 Y 4.2815 7.9256 121.2091 58.8839 40.2785 176.8855 152 Q 3.0531 7.2833 113.8934 57.1181 26.6476 174.5152 153 G 2.8565 7.5197 115.6559 44.8151 0.0000 170.3745 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 0 M 8.30 4.43 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 7.87 4.20 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 0.87 0.00 0.00 0.95 0.00 0.00 2 L 8.34 4.27 0.00 1.04 0.64 0.59 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.77 4.52 0.00 4.05 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 4 E 8.81 4.34 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 2.52 0.00 5 G 8.08 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 E 8.04 3.88 0.00 1.94 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 2.26 0.00 7 W 8.04 4.37 0.00 3.55 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 8.59 4.12 0.00 2.37 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 9 L 7.95 4.07 0.00 1.89 1.76 0.89 0.87 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 7.93 3.77 2.43 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 1.20 0.00 0.00 0.93 0.00 0.00 11 L 8.67 4.37 0.00 1.83 1.81 0.94 0.94 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 12 H 8.43 4.32 0.00 3.43 3.54 0.00 5.78 0.00 0.00 0.00 0.00 6.87 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 3.43 2.42 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 1.08 0.00 0.00 0.88 0.00 0.00 14 W 8.56 3.80 0.00 3.65 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 15 A 7.98 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 16 K 7.28 3.91 0.00 1.51 1.66 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.72 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 17 V 7.09 2.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.37 0.00 0.00 18 E 7.56 3.86 0.00 1.98 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 2.22 2.18 0.00 19 A 7.46 4.25 1.28 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 0.00 0.00 0.00 20 D 7.75 4.64 0.00 2.70 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 V 7.91 3.49 2.03 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 0.97 0.00 0.00 0.83 0.00 0.00 22 A 7.95 4.11 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 23 G 8.31 3.80 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 0.00 0.00 0.00 24 H 8.30 4.12 0.00 3.23 3.21 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 25 G 8.38 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.03 3.91 0.00 2.20 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.71 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 27 D 7.85 4.32 0.00 2.86 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 28 I 7.79 3.67 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.65 0.90 0.00 0.00 29 L 7.80 3.52 0.00 1.51 1.23 1.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.80 3.79 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.78 0.90 0.00 0.00 31 R 8.00 3.82 0.00 1.93 2.09 0.00 3.01 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 32 L 7.83 3.90 0.00 1.72 1.36 1.07 1.20 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 33 F 8.14 4.80 0.00 3.08 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 34 K 8.29 4.10 0.00 1.68 1.84 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.78 7.81 35 S 8.06 4.36 0.00 3.74 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 36 H 8.44 4.71 0.00 2.98 2.87 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 37 P 0.00 4.62 0.00 2.17 2.11 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.99 0.00 38 E 8.45 4.39 0.00 2.30 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 2.33 2.41 0.00 39 T 8.32 3.85 4.44 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 0.80 0.00 0.00 40 L 8.02 3.79 0.00 1.35 1.75 0.27 0.54 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 41 E 8.20 4.09 0.00 2.40 2.03 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 2.35 2.37 0.00 42 K 8.11 4.34 0.00 1.60 1.54 0.00 1.82 0.00 0.00 1.69 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.66 1.88 7.81 43 F 7.80 4.21 0.00 2.86 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 0.00 0.00 0.00 44 D 8.25 4.40 0.00 2.54 2.66 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 45 R 7.65 4.07 0.00 1.44 1.55 0.00 3.24 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.62 0.00 46 F 7.30 5.10 0.00 3.13 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 47 K 8.20 4.14 0.00 1.86 2.19 0.00 1.56 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.38 1.43 7.81 48 H 8.13 4.42 0.00 3.30 3.50 0.00 5.54 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.36 4.07 0.00 1.59 1.58 0.85 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.54 4.37 0.00 1.66 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.51 7.81 51 T 7.45 4.73 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 1.20 0.00 0.00 52 E 8.59 3.87 0.00 2.05 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 2.36 2.37 0.00 53 A 8.00 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 54 E 7.92 3.93 0.00 2.13 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 8.17 4.13 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.57 0.00 56 K 8.19 3.97 0.00 1.82 1.84 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.42 7.81 57 A 7.50 4.39 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 7.46 4.27 0.00 3.90 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 59 E 8.80 4.04 0.00 2.13 1.95 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 2.39 2.47 0.00 60 D 8.07 4.47 0.00 2.92 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 61 L 7.65 3.19 0.00 0.98 1.51 0.73 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.86 3.89 0.00 1.85 1.91 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 63 K 8.19 3.96 0.00 2.14 1.94 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.75 7.81 64 Y 8.21 4.33 0.00 3.42 3.28 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 0.00 65 G 8.29 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.72 3.59 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 1.10 0.00 0.00 0.94 0.00 0.00 67 T 7.86 3.83 4.29 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 1.30 0.00 0.00 68 V 7.60 3.46 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 1.12 0.00 0.00 0.37 0.00 0.00 69 L 7.91 4.19 0.00 1.77 1.83 0.89 0.82 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 70 T 8.27 3.96 4.29 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 1.24 0.00 0.00 71 A 8.05 3.99 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 72 L 8.28 3.71 0.00 1.60 1.62 0.22 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.48 3.31 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 0.00 74 A 7.67 4.05 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 75 I 7.31 3.80 1.80 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.00 0.85 0.00 0.00 76 L 7.86 3.98 0.00 1.36 1.56 -0.09 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.75 3.97 0.00 1.65 1.80 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.12 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.78 3.91 0.00 1.84 1.80 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.59 1.83 7.81 79 K 8.16 2.00 0.00 1.32 0.74 0.00 1.47 0.00 0.00 1.44 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.32 0.80 7.81 80 G 8.03 4.04 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 0.00 0.00 0.00 81 H 7.63 4.82 0.00 3.20 3.21 0.00 5.76 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.17 5.21 0.00 3.33 3.45 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.52 3.96 0.00 2.10 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 0.00 2.43 2.51 0.00 84 A 7.88 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 8.28 4.07 0.00 2.27 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 2.40 2.48 0.00 86 L 8.26 3.97 0.00 1.95 1.73 0.99 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.88 3.97 0.00 1.82 1.85 0.00 1.69 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 1.65 7.81 88 P 0.00 4.32 0.00 2.30 2.35 0.00 3.82 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 2.12 2.06 0.00 89 L 7.51 4.02 0.00 1.96 1.95 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.44 4.24 1.50 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 91 Q 8.28 3.89 0.00 2.16 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 92 S 8.08 4.02 0.00 3.97 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 93 H 8.72 4.14 0.00 3.63 3.64 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 8.09 2.73 0.71 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 0.00 0.00 95 T 7.43 4.02 4.16 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 1.10 0.00 0.00 96 K 7.44 4.11 0.00 1.53 1.60 0.00 1.69 0.00 0.00 1.56 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.19 1.33 7.81 97 H 7.94 4.27 0.00 2.98 3.13 0.00 5.82 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.52 3.33 0.00 1.77 1.82 0.00 1.48 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.22 1.23 7.81 99 I 8.08 4.35 2.13 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 1.16 0.00 0.00 100 P 0.00 4.53 0.00 1.94 2.02 0.00 3.17 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 0.61 1.44 0.00 101 I 8.16 3.66 1.81 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.05 0.81 0.00 0.00 102 K 7.99 3.80 0.00 1.67 1.64 0.00 1.72 0.00 0.00 1.94 0.00 0.00 3.15 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.66 1.38 7.81 103 Y 7.99 4.13 0.00 3.22 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 0.00 104 L 7.91 4.20 0.00 1.81 1.80 0.72 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.19 4.00 0.00 2.06 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 2.33 2.43 0.00 106 F 7.82 4.53 0.00 3.19 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 0.00 107 I 8.16 3.90 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.66 1.11 0.00 0.00 108 S 8.15 4.23 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 E 8.56 4.07 0.00 2.31 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 2.45 2.76 0.00 110 A 8.18 4.10 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.06 3.70 2.12 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 1.62 0.84 1.04 0.00 0.00 112 I 7.97 3.81 2.01 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 0.84 1.14 0.00 0.00 113 H 8.35 4.16 0.00 3.46 3.47 0.00 5.78 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 7.91 3.57 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 0.99 0.00 0.00 0.99 0.00 0.00 115 L 8.02 3.76 0.00 0.40 0.58 0.74 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.96 4.33 0.00 3.46 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.89 4.17 0.00 3.90 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 0.00 118 R 7.90 4.03 0.00 1.59 1.52 0.00 2.80 0.00 0.00 2.99 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.49 0.00 119 H 8.00 5.01 0.00 3.23 3.21 0.00 5.62 0.00 0.00 0.00 0.00 6.79 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 2.21 2.25 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.10 3.71 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 0.00 0.00 0.00 122 N 8.15 4.97 0.00 2.81 2.93 0.00 0.00 6.67 7.48 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 0.00 123 F 7.83 4.99 0.00 2.97 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 0.00 124 G 7.72 3.87 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 0.00 0.00 0.00 125 A 8.37 3.87 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 7.94 4.18 0.00 2.65 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 7.76 3.96 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 0.00 128 Q 7.92 3.16 0.00 1.13 1.86 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 2.23 2.27 0.00 129 G 8.15 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 A 8.00 3.85 1.28 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 0.00 0.00 0.00 131 M 8.39 3.97 0.00 2.38 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 2.78 2.91 0.00 132 N 8.46 4.30 0.00 2.88 2.97 0.00 0.00 6.88 7.40 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 0.00 133 K 8.20 3.81 0.00 1.94 1.65 0.00 1.60 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.38 7.81 134 A 8.07 3.83 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 0.00 135 L 8.20 4.16 0.00 1.78 1.83 1.01 0.72 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 8.48 3.97 0.00 2.15 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 2.55 0.00 137 L 8.17 3.92 0.00 1.87 1.98 1.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.43 4.16 0.00 3.07 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 0.00 139 R 8.28 3.38 0.00 1.92 1.82 0.00 3.16 0.00 0.00 3.30 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.98 0.00 140 K 8.42 3.81 0.00 1.72 2.00 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.19 4.36 0.00 2.87 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 0.00 142 I 7.59 3.49 1.25 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.06 0.10 0.00 0.00 143 A 7.97 3.67 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 0.00 144 A 7.98 3.99 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 0.00 145 K 7.96 4.07 0.00 2.06 1.92 0.00 1.57 0.00 0.00 1.90 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.54 7.81 146 Y 8.37 4.37 0.00 3.41 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 0.00 147 K 8.18 3.93 0.00 1.87 1.98 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.50 7.81 148 E 7.99 4.07 0.00 2.19 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 2.37 0.00 149 L 7.87 4.35 0.00 1.82 1.71 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.07 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 0.00 151 Y 7.93 4.28 0.00 2.50 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 0.00 152 Q 7.28 3.05 0.00 2.09 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.61 0.00 0.00 0.00 0.00 0.00 2.28 2.37 0.00 153 G 7.52 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 0.00 0.00 0.00