NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.8639 8.3544 109.7356 45.4974 0.0000 172.8666 2 S 4.1996 8.1468 120.2888 55.7781 60.6595 171.5262 3 S 4.6539 8.7528 119.0741 55.3116 67.0540 174.1140 4 G 4.6546 7.4737 122.8344 46.0129 0.0000 171.5628 5 S 4.5731 7.8500 121.6867 56.0057 63.9030 173.5591 6 S 4.8046 8.1989 119.1513 56.8321 66.8090 175.4023 7 G 4.2224 8.2248 110.1472 44.5711 0.0000 172.5953 8 S 4.6274 7.6353 112.4706 56.7430 64.5231 173.0211 9 R 4.5409 8.2294 126.3968 55.2359 31.3032 175.0146 10 E 4.7484 8.2226 119.2870 55.4563 32.4475 175.2909 11 N 4.7809 8.3457 118.5800 52.1301 37.4667 174.5529 12 L 4.1902 7.9974 122.1742 54.7925 42.8779 177.5389 13 G 4.5422 9.0751 104.2228 45.1388 0.0000 171.6975 14 R 5.0261 8.3685 113.6427 54.5785 33.7321 173.9584 15 I 4.7371 8.7980 120.4073 59.3519 40.9372 173.7236 16 Q 4.1435 8.5385 129.8876 53.3637 30.7507 174.0691 17 F 5.3654 7.5280 118.8682 55.9878 41.1229 172.7610 18 S 5.0454 9.5046 115.6530 56.8754 65.8731 173.0093 19 V 4.6305 8.6372 121.5556 61.2601 35.0542 174.6005 20 G 4.3715 8.3828 108.2339 45.9809 0.0000 171.3941 21 Y 5.2991 8.9201 127.7552 56.0029 40.8822 174.3313 22 N 4.9165 8.3383 124.9587 52.7411 41.0948 175.6260 23 F 4.2100 9.2134 124.1174 60.5479 39.2893 177.5053 24 Q 3.9965 8.0085 117.1702 60.1101 28.7988 178.5734 25 E 4.0379 8.0526 118.5881 57.2594 30.2057 177.0461 26 S 4.3943 7.4321 111.7731 58.8519 62.5081 171.9281 27 T 4.8890 6.7770 114.0178 62.6847 73.2484 173.6974 28 L 5.0011 8.2436 124.6266 54.2510 44.1118 175.4966 29 T 4.8645 8.8650 121.4191 61.0115 71.7896 173.3538 30 V 4.6248 8.6172 127.5050 61.1230 34.0273 173.8223 31 K 5.1025 8.5091 130.6172 54.5962 33.6302 175.5734 32 I 4.2869 8.5995 129.5823 60.1230 35.9947 175.4800 33 M 3.7949 8.3806 123.2566 57.3207 32.2231 178.1569 34 K 4.8514 7.3680 114.9399 57.0984 36.2364 172.7279 35 A 5.2807 7.8050 120.5943 50.8077 22.5721 175.4037 36 Q 4.8903 8.6088 116.0290 55.3687 34.3213 174.4634 37 E 3.7336 8.9051 117.8162 57.5650 26.9836 174.0606 38 L 5.0806 8.1767 117.7128 52.6061 42.7469 175.7415 39 P 4.5759 0.0000 0.0000 62.9415 32.4264 175.1570 40 A 4.7014 8.3839 122.2316 50.7388 21.1063 176.7263 41 K 4.3022 8.4536 115.0382 57.9278 35.3502 177.7403 42 D 4.5680 7.7997 117.3812 53.5215 41.5832 177.2579 43 F 4.2017 8.7512 119.5081 61.1657 39.1473 177.1499 44 S 4.2861 8.4866 115.0307 62.6196 62.6670 175.2148 45 G 4.1014 7.0211 107.5545 46.1449 0.0000 173.4339 46 T 4.8292 7.9386 108.8005 60.0724 72.3439 172.8735 47 S 4.7319 8.3270 116.2603 58.1185 67.6876 173.6046 48 D 5.8500 8.7950 122.8068 51.4393 39.4471 174.1282 49 P 5.1597 0.0000 0.0000 62.9362 33.7236 175.8069 50 F 5.0699 8.6045 112.4188 56.2314 41.5406 173.3071 51 V 4.1608 7.3278 123.0503 61.9036 33.3545 174.5392 52 K 4.8315 8.5959 127.4100 54.7640 35.0184 174.8760 53 I 4.7675 8.9766 129.1935 60.9093 39.2769 174.8443 54 Y 4.4684 8.7453 123.1407 56.6299 42.3497 175.0023 55 L 4.5499 8.0183 126.0170 53.1632 40.0648 176.2928 56 L 4.1842 8.1629 121.6768 53.9620 42.8339 176.9259 57 P 4.0985 0.0000 0.0000 66.0663 31.6476 176.7103 58 D 4.2835 7.5437 116.4379 52.9449 39.3150 176.4768 59 K 4.5601 8.4459 120.9037 55.8358 33.1794 177.3215 60 K 3.8520 7.8588 118.7654 58.9598 32.2777 176.4120 61 H 4.7176 7.7951 118.8187 54.3336 29.3730 174.7558 62 K 4.3193 8.1901 123.1606 54.6645 35.5344 175.0541 63 L 4.9618 8.1560 122.2015 53.5738 45.9987 174.6232 64 E 4.9553 8.3015 119.6898 55.4398 32.8623 174.0037 65 T 4.7641 8.0587 110.8564 59.7946 71.1281 174.4168 66 K 4.1629 8.7031 121.8444 56.7928 32.6055 176.0646 67 V 4.6985 8.1748 118.6558 61.3699 34.1748 174.6496 68 K 4.6399 8.3767 127.7631 54.6229 33.9935 176.2626 69 R 4.6559 8.6994 124.1214 55.3747 31.0232 176.6545 70 K 3.8173 8.6855 119.1152 57.0350 29.6453 176.0507 71 N 4.8212 8.2904 114.9441 52.3653 42.1800 175.0945 72 L 4.4650 8.5817 123.4988 55.4390 43.1319 176.8386 73 N 5.4328 7.8748 115.6454 50.8723 39.4768 172.3580 74 P 4.3610 0.0000 0.0000 62.9159 33.2906 175.4012 75 H 4.7603 8.3267 117.1960 54.1576 29.4497 174.0110 76 W 4.2967 8.8916 123.7195 58.1495 30.6067 177.8288 77 N 4.4119 8.2779 115.5999 54.1349 37.6987 173.6006 78 E 4.3684 7.8160 116.0357 55.5626 31.6854 175.9534 79 T 4.6342 7.8021 117.4033 61.9803 71.1500 173.7004 80 F 4.7928 8.3027 123.6547 55.8877 42.5657 175.0985 81 L 5.0408 7.7612 119.1713 53.5693 45.5540 175.9792 82 F 4.7103 8.9029 123.7676 56.1885 39.9835 174.7779 83 E 4.6299 8.8608 123.3628 55.5765 31.2779 176.5758 84 G 3.9835 10.2394 109.4530 45.5645 0.0000 173.7483 85 F 4.4153 8.0448 118.4270 53.9265 41.9138 173.3902 86 P 4.5439 0.0000 0.0000 62.3516 33.2901 176.0792 87 Y 3.2034 8.5590 121.6472 60.9711 38.3833 178.5185 88 E 3.9629 8.3344 116.1532 59.1500 29.4100 178.2467 89 K 4.2129 7.5702 118.2072 58.3352 33.0524 178.7553 90 V 3.5944 8.1361 119.6303 65.2300 30.7268 178.8628 91 V 3.3489 7.1024 112.0851 64.2349 31.4841 177.7133 92 Q 3.9873 8.2519 116.0717 57.9439 28.6475 176.5519 93 R 4.5906 7.2854 117.9993 55.1308 32.4450 175.1140 94 I 4.6404 8.1910 119.3320 59.5310 41.5950 174.9908 95 L 4.2617 9.1767 129.6587 55.0683 43.1841 174.6758 96 Y 4.9662 8.5964 128.0864 55.7549 41.3106 174.1845 97 L 4.8907 7.8925 126.1930 52.8573 45.3059 175.1754 98 Q 4.5359 8.4581 125.4285 54.0779 31.7512 174.3749 99 V 4.3549 8.2906 127.0949 61.5710 32.4401 174.4478 100 L 4.8623 7.4189 127.9148 52.6705 45.1373 175.5490 101 D 5.3600 7.9282 119.9608 51.6970 40.4140 175.4075 102 Y 4.1499 9.3130 126.7068 58.2418 38.9716 175.1133 103 D 5.0068 8.3446 125.6320 51.4700 42.2372 176.1359 104 R 4.0022 7.9438 120.2213 58.8849 30.7177 177.4467 105 F 4.4723 7.0814 115.4434 60.5952 39.0635 175.8829 106 S 4.6195 7.8126 113.0613 56.9737 63.3165 173.8577 107 R 3.9516 8.4617 125.7721 58.3915 30.0579 176.8462 108 N 4.4457 7.6290 111.7181 52.8350 42.8419 173.9561 109 D 4.8412 8.6621 125.4330 51.6928 41.7512 172.6721 110 P 4.1799 0.0000 0.0000 62.8999 31.7112 176.5083 111 I 3.8930 8.3625 126.7813 63.2173 37.6312 176.3890 112 G 4.9748 7.5750 106.5836 45.0130 0.0000 170.3942 113 E 5.0445 8.4093 116.9285 54.6259 33.8100 174.1450 114 V 4.6776 8.1705 119.3119 61.0595 35.3933 174.0001 115 S 5.2023 8.6129 120.8768 56.6350 65.6104 173.4970 116 I 4.5993 8.4312 124.8729 58.9834 41.8047 172.4272 117 P 4.6266 0.0000 0.0000 62.5260 31.8085 177.4793 118 L 4.0822 8.1601 123.7604 56.5820 41.7276 177.7987 119 N 4.4316 7.8801 116.5515 55.5916 39.4113 176.0959 120 K 4.2043 8.0168 117.6030 58.6676 32.5220 178.2034 121 V 3.9600 7.5544 117.8142 61.4468 32.2096 177.0392 122 D 4.8711 8.7542 124.4643 54.4081 38.0538 176.8104 123 L 4.3730 8.2928 122.6426 56.9651 42.2989 179.5395 124 T 4.0893 8.0881 108.4515 64.3704 68.6869 173.4535 125 Q 4.6893 7.8967 117.9929 54.8520 31.8971 173.9585 126 M 4.5080 8.6736 120.5132 56.2697 32.9679 175.4631 127 Q 4.5250 9.4420 124.6257 54.7115 33.2656 175.0316 128 T 4.7072 8.3462 120.3427 63.3731 70.4415 173.9142 129 F 4.6104 7.8224 119.3429 56.1254 44.0239 173.9897 130 W 4.7890 8.9297 121.9795 55.0744 31.1846 174.7105 131 K 4.9066 8.5671 123.7662 54.2942 35.6224 175.7094 132 D 5.0968 8.7367 122.8766 51.7800 40.1042 175.1051 133 L 3.9197 8.5932 125.7561 53.2537 41.6282 177.5983 134 K 4.1297 8.6367 124.0134 55.7368 33.5434 175.2080 135 P 4.8404 0.0000 0.0000 63.0897 30.7948 176.7652 136 S 4.2688 8.3233 121.2154 59.4383 63.0698 175.2444 137 G 3.9839 7.7067 108.4385 44.3351 0.0000 172.7681 138 P 4.4429 0.0000 0.0000 61.9261 32.5952 175.1725 139 S 4.4867 8.3595 113.8791 56.8915 63.1877 173.9250 140 S 4.1656 8.5211 120.2375 59.0320 63.0395 174.7899 141 G 3.7196 8.3322 109.7866 46.2878 0.0000 172.8399 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 3.86 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 2 S 8.15 4.20 0.00 3.92 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 3 S 8.75 4.65 0.00 3.94 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 4 G 7.47 4.65 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 0.00 0.00 0.00 5 S 7.85 4.57 0.00 3.81 3.78 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 6 S 8.20 4.80 0.00 3.80 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 7 G 8.22 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 0.00 0.00 0.00 0.00 8 S 7.64 4.63 0.00 3.83 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 9 R 8.23 4.54 0.00 1.79 1.80 0.00 3.34 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.67 0.00 10 E 8.22 4.75 0.00 2.06 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 2.18 2.28 0.00 11 N 8.35 4.78 0.00 2.73 2.82 0.00 0.00 6.95 7.86 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 12 L 8.00 4.19 0.00 1.81 1.71 1.04 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 13 G 9.08 4.54 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 14 R 8.37 5.03 0.00 2.35 2.14 0.00 2.84 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.10 0.00 15 I 8.80 4.74 1.98 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.68 1.07 0.00 0.00 16 Q 8.54 4.14 0.00 0.93 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.51 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 17 F 7.53 5.37 0.00 3.18 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 18 S 9.50 5.05 0.00 3.90 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 19 V 8.64 4.63 2.34 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 1.08 0.00 0.00 1.21 0.00 0.00 20 G 8.38 4.37 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 0.00 21 Y 8.92 5.30 0.00 3.10 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 22 N 8.34 4.92 0.00 2.74 2.48 0.00 0.00 7.22 7.74 0.00 0.00 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 F 9.21 4.21 0.00 3.10 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 24 Q 8.01 4.00 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 7.10 0.00 0.00 0.00 0.00 0.00 2.43 2.46 0.00 25 E 8.05 4.04 0.00 1.90 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 26 S 7.43 4.39 0.00 4.33 4.17 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 27 T 6.78 4.89 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 28 L 8.24 5.00 0.00 2.31 1.86 1.18 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 29 T 8.86 4.86 4.45 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 1.25 0.00 0.00 30 V 8.62 4.62 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 1.15 0.00 0.00 1.13 0.00 0.00 31 K 8.51 5.10 0.00 1.90 1.75 0.00 1.76 0.00 0.00 1.78 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.31 7.81 32 I 8.60 4.29 2.08 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 1.58 0.98 1.01 0.00 0.00 33 M 8.38 3.79 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.70 0.00 34 K 7.37 4.85 0.00 1.89 1.94 0.00 1.56 0.00 0.00 1.93 0.00 0.00 3.07 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.37 1.33 7.81 35 A 7.81 5.28 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.61 4.89 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.30 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 37 E 8.91 3.73 0.00 2.25 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 2.31 2.34 0.00 38 L 8.18 5.08 0.00 1.68 1.64 1.08 1.27 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 39 P 0.00 4.58 0.00 2.08 2.20 0.00 3.77 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 40 A 8.38 4.70 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 41 K 8.45 4.30 0.00 1.72 1.80 0.00 1.72 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.38 1.60 7.81 42 D 7.80 4.57 0.00 3.02 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 43 F 8.75 4.20 0.00 3.02 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 44 S 8.49 4.29 0.00 3.94 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 45 G 7.02 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 0.00 0.00 0.00 46 T 7.94 4.83 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 1.25 0.00 0.00 47 S 8.33 4.73 0.00 3.81 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 48 D 8.80 5.85 0.00 2.76 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 49 P 0.00 5.16 0.00 2.42 2.31 0.00 4.06 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.14 0.00 50 F 8.60 5.07 0.00 3.17 3.30 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 51 V 7.33 4.16 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 0.52 0.00 0.00 -0.23 0.00 0.00 52 K 8.60 4.83 0.00 1.97 1.72 0.00 1.78 0.00 0.00 2.02 0.00 0.00 3.27 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.72 1.69 7.81 53 I 8.98 4.77 1.88 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.87 0.84 0.00 0.00 54 Y 8.75 4.47 0.00 2.97 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 55 L 8.02 4.55 0.00 1.20 1.42 0.01 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.16 4.18 0.00 1.60 1.51 0.73 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 57 P 0.00 4.10 0.00 2.14 2.14 0.00 3.78 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 58 D 7.54 4.28 0.00 2.83 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 59 K 8.45 4.56 0.00 1.75 1.98 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.52 7.81 60 K 7.86 3.85 0.00 1.69 1.71 0.00 1.72 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.45 7.81 61 H 7.80 4.72 0.00 3.10 3.19 0.00 5.64 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.19 4.32 0.00 0.79 0.74 0.00 1.34 0.00 0.00 1.49 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.07 1.10 7.81 63 L 8.16 4.96 0.00 1.88 1.33 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.30 4.96 0.00 2.24 1.90 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 2.15 2.21 0.00 65 T 8.06 4.76 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 1.21 0.00 0.00 66 K 8.70 4.16 0.00 1.96 1.96 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.45 7.81 67 V 8.17 4.70 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 0.92 0.00 0.00 0.81 0.00 0.00 68 K 8.38 4.64 0.00 1.89 1.68 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.36 7.81 69 R 8.70 4.66 0.00 1.72 1.89 0.00 3.60 0.00 0.00 2.77 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.46 0.00 70 K 8.69 3.82 0.00 1.81 1.82 0.00 1.65 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.54 7.81 71 N 8.29 4.82 0.00 2.81 2.62 0.00 0.00 6.71 7.58 0.00 0.00 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 8.58 4.46 0.00 1.63 1.87 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 73 N 7.87 5.43 0.00 2.68 2.73 0.00 0.00 7.37 8.04 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 74 P 0.00 4.36 0.00 1.44 1.93 0.00 3.57 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 1.25 1.87 0.00 75 H 8.33 4.76 0.00 3.10 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 W 8.89 4.30 0.00 3.70 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 N 8.28 4.41 0.00 2.84 2.98 0.00 0.00 7.34 7.99 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 78 E 7.82 4.37 0.00 1.80 1.17 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 2.56 2.41 0.00 79 T 7.80 4.63 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 1.16 0.00 0.00 80 F 8.30 4.79 0.00 2.82 2.48 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 81 L 7.76 5.04 0.00 1.38 1.48 0.87 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.90 4.71 0.00 2.97 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 83 E 8.86 4.63 0.00 1.90 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 2.28 2.26 0.00 84 G 10.24 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 85 F 8.04 4.42 0.00 3.01 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 86 P 0.00 4.54 0.00 2.25 2.18 0.00 3.55 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 87 Y 8.56 3.20 0.00 2.43 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.33 3.96 0.00 2.17 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 0.00 2.27 2.39 0.00 89 K 7.57 4.21 0.00 1.96 1.85 0.00 1.49 0.00 0.00 1.72 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.39 7.81 90 V 8.14 3.59 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 0.27 0.00 0.00 0.87 0.00 0.00 91 V 7.10 3.35 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 -0.25 0.00 0.00 0.71 0.00 0.00 92 Q 8.25 3.99 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.77 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 93 R 7.29 4.59 0.00 1.75 1.87 0.00 3.37 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 94 I 8.19 4.64 1.85 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 1.08 1.22 0.97 0.00 0.00 95 L 9.18 4.26 0.00 1.66 1.59 0.83 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 8.60 4.97 0.00 3.09 2.92 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 97 L 7.89 4.89 0.00 1.15 1.11 -0.79 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 98 Q 8.46 4.54 0.00 1.89 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.77 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 99 V 8.29 4.35 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 1.08 0.00 0.00 0.87 0.00 0.00 100 L 7.42 4.86 0.00 1.13 1.44 0.41 0.73 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 0.00 101 D 7.93 5.36 0.00 2.85 2.77 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 0.00 102 Y 9.31 4.15 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.34 5.01 0.00 2.72 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 0.00 104 R 7.94 4.00 0.00 1.54 1.28 0.00 3.29 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.47 0.00 105 F 7.08 4.47 0.00 3.13 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 0.00 106 S 7.81 4.62 0.00 3.89 4.08 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 0.00 107 R 8.46 3.95 0.00 1.82 1.94 0.00 3.44 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 108 N 7.63 4.45 0.00 2.53 2.69 0.00 0.00 6.74 7.98 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 0.00 109 D 8.66 4.84 0.00 2.95 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 0.00 110 P 0.00 4.18 0.00 2.04 2.06 0.00 3.73 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 1.97 1.98 0.00 111 I 8.36 3.89 2.03 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.99 0.91 0.00 0.00 112 G 7.58 4.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 E 8.41 5.04 0.00 1.41 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 114 V 8.17 4.68 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 1.04 0.00 0.00 0.94 0.00 0.00 115 S 8.61 5.20 0.00 3.92 3.86 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 0.00 116 I 8.43 4.60 1.81 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 1.24 0.48 0.66 0.00 0.00 117 P 0.00 4.63 0.00 2.07 2.16 0.00 3.65 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 2.04 1.97 0.00 118 L 8.16 4.08 0.00 1.73 1.67 0.92 1.04 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 0.00 119 N 7.88 4.43 0.00 2.68 2.79 0.00 0.00 7.03 6.68 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 0.00 120 K 8.02 4.20 0.00 1.92 1.86 0.00 1.80 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.46 1.51 7.81 121 V 7.55 3.96 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 0.73 0.00 0.00 1.24 0.00 0.00 122 D 8.75 4.87 0.00 2.84 2.77 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 0.00 123 L 8.29 4.37 0.00 2.10 2.15 0.90 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.09 4.09 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 1.30 0.00 0.00 125 Q 7.90 4.69 0.00 2.09 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 126 M 8.67 4.51 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.62 0.00 127 Q 9.44 4.52 0.00 2.11 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.63 0.00 0.00 0.00 0.00 0.00 2.56 2.59 0.00 128 T 8.35 4.71 4.09 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 1.07 0.00 0.00 129 F 7.82 4.61 0.00 2.19 2.57 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 0.00 130 W 8.93 4.79 0.00 3.12 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 0.00 131 K 8.57 4.91 0.00 1.91 1.75 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.61 7.81 132 D 8.74 5.10 0.00 2.73 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 0.00 133 L 8.59 3.92 0.00 1.58 1.72 1.03 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 134 K 8.64 4.13 0.00 1.82 1.74 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.55 7.81 135 P 0.00 4.84 0.00 2.11 2.45 0.00 3.70 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.07 0.00 136 S 8.32 4.27 0.00 3.89 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 7.71 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 0.00 138 P 0.00 4.44 0.00 2.18 2.11 0.00 3.75 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 1.98 1.95 0.00 139 S 8.36 4.49 0.00 3.99 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.52 4.17 0.00 3.99 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 0.00 141 G 8.33 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00