NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2301 8.3144 121.7896 55.9698 33.4821 174.9893 2 E 4.0104 8.3861 126.1329 54.0134 30.5973 174.9141 3 T 4.1308 8.6593 117.9646 61.1954 72.0688 174.9959 4 A 3.9759 8.5123 123.4356 55.3520 18.4225 179.9015 5 A 4.0997 7.9896 118.4791 55.4422 18.5003 179.6339 6 A 4.3106 7.9537 120.3835 54.5145 18.3316 179.8333 7 K 4.2080 8.1787 119.7704 59.0393 32.2996 178.8611 8 F 4.0268 8.4008 121.0136 61.2014 38.8036 176.8967 9 E 4.0345 8.3962 118.2330 59.5408 29.1162 179.3746 10 R 3.9263 7.8856 117.2394 59.6487 30.2424 178.2862 11 Q 3.9402 7.9843 116.8149 58.1233 28.9547 176.4003 12 H 4.7874 7.7797 113.8274 54.2688 31.2792 173.4294 13 M 4.7452 8.0549 118.8722 53.9529 33.6331 176.5026 14 D 4.7287 8.8712 122.7729 53.2627 42.2501 175.3140 15 S 4.5834 8.4828 115.4009 58.3948 63.5260 175.1609 16 S 4.4932 7.8505 114.7498 59.1181 63.4467 174.0367 17 T 4.7324 7.4074 110.1343 59.9274 71.5656 173.9023 18 S 4.2466 8.4740 115.9750 59.4760 63.7885 173.5920 19 A 3.7401 7.0564 121.6801 51.0735 20.9870 175.3006 20 A 3.0623 8.9786 123.3816 52.3396 18.2457 178.3101 21 S 4.1746 8.5846 118.5350 61.2763 63.0129 173.4008 22 S 4.6105 7.5000 113.1664 57.0511 65.2548 175.0432 23 S 4.2619 8.6038 114.4474 60.8322 62.9437 174.6511 24 N 4.7245 7.9620 117.9212 53.4569 38.9772 175.9330 25 Y 4.0083 8.1025 120.9940 61.3170 38.6842 177.7044 26 C 4.1611 8.3747 116.8944 59.9584 36.9907 175.8557 27 N 4.3841 8.1601 117.6124 56.3755 38.1253 177.0808 28 Q 3.8604 7.9066 120.7812 59.4976 29.1226 178.1926 29 M 3.6186 7.7463 120.0584 58.4216 31.7149 178.7112 30 M 4.0043 8.1128 119.2593 57.8683 31.9566 178.8451 31 K 3.9387 7.6866 120.1358 59.4305 32.3022 179.1599 32 S 4.0825 7.9327 112.6755 61.2095 62.9976 175.0625 33 R 4.2709 8.1046 117.8923 55.4542 29.7013 175.7866 34 N 4.2084 7.7687 114.0810 54.7436 36.6754 174.7419 35 L 4.6513 8.1950 115.4488 54.8558 41.9599 177.7009 36 T 5.5017 7.4622 106.9547 60.3311 69.0021 175.6318 37 K 4.1109 8.1899 121.5086 59.5264 32.3791 177.5376 38 D 4.7849 7.5562 117.1686 53.4939 42.5584 176.0609 39 R 3.6470 7.1482 117.6002 55.3167 32.7322 173.8597 40 C 4.8583 8.4740 119.6549 55.2191 40.6280 173.9214 41 K 4.1765 8.5274 127.5508 55.8211 32.3661 174.9459 42 P 4.6764 0.0000 0.0000 65.4156 32.5756 176.4724 43 V 4.9842 7.5315 118.1447 61.1218 34.8521 174.2669 44 N 4.6311 9.2211 124.1803 52.9451 42.9376 172.8768 45 T 4.8128 7.9665 122.1168 61.7323 71.4511 173.0603 46 F 4.7835 8.8457 124.5667 55.6421 41.9202 174.5480 47 V 4.3618 8.7650 124.2380 61.6952 33.0645 175.3289 48 H 5.9831 8.8245 127.0355 53.5187 26.6878 173.1174 49 E 4.9403 7.8038 119.0661 54.3433 34.7073 175.7755 50 S 4.3419 8.6239 115.1591 58.0007 64.0239 175.0495 51 L 3.9706 8.0855 121.2410 58.4156 41.7445 179.2717 52 A 4.1283 8.0548 120.0873 55.5204 18.0983 179.1821 53 D 4.3229 8.0348 116.0520 57.4872 41.2720 178.9691 54 V 3.7936 7.8596 118.7368 66.1463 31.6782 178.2091 55 Q 3.9091 8.4717 117.8735 58.6919 28.5197 178.3997 56 A 4.0461 8.1795 121.5735 54.5638 18.2231 179.6710 57 V 3.4583 7.5157 116.8440 65.9272 31.3238 176.9960 58 C 3.6679 7.7065 114.6651 58.2571 39.8867 174.2765 59 S 4.6194 7.3827 115.3121 58.2205 64.1133 174.5871 60 Q 4.0318 7.3403 121.9895 55.5074 27.2465 177.7384 61 K 4.2867 8.1450 130.9532 56.9377 32.9928 175.1709 62 N 4.4021 8.8497 127.6121 53.4954 39.1548 174.2858 63 V 4.5931 7.8685 118.7453 59.0116 35.6576 175.7093 64 A 4.1163 8.3823 124.8030 52.2037 19.1606 178.3559 65 C 4.6930 8.4219 118.5183 55.8966 41.2350 175.4846 66 K 3.3939 8.5458 122.4669 59.1482 31.7065 177.7222 67 N 4.5750 8.1212 113.9224 52.5324 37.7263 175.8651 68 G 3.9268 8.7087 109.0624 45.5106 0.0000 174.0433 69 Q 4.1386 8.3308 121.1600 56.6170 29.5462 176.1348 70 T 4.2978 8.3515 110.4587 61.4858 69.1385 174.0210 71 N 5.1119 8.0095 118.3643 53.6471 38.6589 174.5987 72 C 5.3846 7.8811 115.8810 56.7608 43.2771 172.4607 73 Y 5.0921 9.0414 118.7298 56.3875 41.9823 173.7954 74 Q 5.1106 9.0786 125.0696 53.9263 31.5299 174.9256 75 S 4.1825 8.9642 122.1165 58.6811 63.1028 174.4086 76 Y 4.4786 8.6837 120.8053 60.3456 37.9790 175.9766 77 S 5.0561 7.8610 112.7877 56.3900 65.8761 174.1249 78 T 4.3005 8.2685 110.3849 61.7774 69.8625 173.8465 79 M 5.0416 8.8486 122.3646 53.3092 36.6139 174.8293 80 S 4.7980 9.4550 117.6232 58.5792 63.7271 172.9040 81 A 5.1330 9.2960 127.8039 50.8472 23.3112 174.6497 82 T 5.0217 9.2720 115.8867 61.9125 72.2167 172.9090 83 D 5.0597 9.4455 126.6990 53.1345 43.1134 174.7228 84 C 5.6362 9.3879 120.8931 55.3636 42.9419 173.2690 85 R 5.3897 8.8090 121.2757 54.2396 34.2864 174.6692 86 E 4.1658 9.1316 123.5012 57.1021 30.4697 176.9517 87 T 4.4002 8.2358 113.5309 60.0738 71.0841 176.0525 88 G 3.6707 8.6600 110.4164 48.1299 0.0000 175.0327 89 S 4.2528 7.5072 112.8064 59.8436 63.5013 174.7951 90 S 4.2601 7.4306 116.2604 58.4496 62.6418 172.7533 91 K 4.5203 8.2210 123.2852 55.8229 37.9115 175.0851 92 Y 3.8374 8.1399 120.3403 57.1894 39.1197 167.2159 93 P 2.9700 0.0000 0.0000 63.1153 31.3790 176.9763 94 N 4.7702 7.4420 118.4069 51.9265 37.5606 174.4328 95 C 4.4800 7.9844 117.0058 56.8008 38.6890 173.3327 96 A 5.0658 8.2929 124.1075 50.5559 22.1613 174.6710 97 Y 5.1375 9.3422 118.7816 56.0747 42.2284 174.9398 98 K 4.4619 9.1782 124.3455 55.9685 34.1657 175.4293 99 T 4.8581 8.5883 123.3693 62.3089 70.5354 173.8465 100 T 4.5437 8.8565 123.9939 61.8269 71.1726 173.1051 101 Q 4.9066 8.5569 127.6946 55.2156 31.0046 174.4435 102 A 4.4973 8.2405 124.8227 51.7902 23.7062 174.2101 103 N 5.4450 8.8028 114.3142 51.7690 41.5955 174.4144 104 K 4.7514 8.8587 122.3500 55.1967 36.8849 175.1869 105 H 4.9642 9.8721 119.5482 55.7802 29.9106 174.8450 106 I 4.5251 8.5487 116.0646 59.3265 40.5812 174.4442 107 I 4.9527 7.8782 124.3798 59.7335 40.0252 175.0803 108 V 4.8188 8.7989 119.5369 59.3870 36.1870 174.2590 109 A 5.1209 8.7217 124.5981 50.7931 20.8693 175.6355 110 C 5.2291 8.6822 119.7108 55.2517 38.2706 173.0260 111 E 4.6853 8.4462 117.0984 56.7829 33.0814 175.7555 112 G 4.0475 9.7738 106.9258 44.7524 0.0000 171.7272 113 N 5.0113 8.1580 116.6801 50.9900 40.5140 172.4526 114 P 4.3246 0.0000 0.0000 63.1631 31.7606 175.9472 115 Y 4.7968 8.1945 121.0559 56.2737 38.2881 174.4866 116 V 4.3903 7.9057 118.9589 57.9829 36.1415 173.3714 117 P 4.3415 0.0000 0.0000 63.0041 31.0088 176.9317 118 V 4.4309 8.6049 115.4120 61.2158 33.9787 175.4649 119 H 5.1643 7.8969 116.5313 54.2951 33.5594 172.2771 120 F 4.7530 8.9853 124.5327 56.9739 39.4265 174.7364 121 D 4.5002 8.7379 127.5707 56.1276 41.9700 175.7643 122 A 4.4533 6.6048 118.1963 52.8577 23.3565 176.2015 123 S 4.9292 8.1027 115.0233 56.5956 61.5112 174.9706 124 V 3.7594 9.0157 133.3941 64.0470 31.8196 169.3229 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 K 8.31 4.23 0.00 1.74 1.78 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 2 E 8.39 4.01 0.00 2.13 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 0.00 2.39 2.37 0.00 3 T 8.66 4.13 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 4 A 8.51 3.98 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 5 A 7.99 4.10 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 6 A 7.95 4.31 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 K 8.18 4.21 0.00 2.02 2.02 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.29 7.81 8 F 8.40 4.03 0.00 3.17 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 9 E 8.40 4.03 0.00 2.30 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 2.47 2.64 0.00 10 R 7.89 3.93 0.00 1.80 1.93 0.00 3.36 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 7.98 3.94 0.00 1.46 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.46 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 12 H 7.78 4.79 0.00 2.04 2.63 0.00 5.61 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 13 M 8.05 4.75 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 14 D 8.87 4.73 0.00 2.76 2.58 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 0.00 0.00 0.00 0.00 15 S 8.48 4.58 0.00 3.93 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 16 S 7.85 4.49 0.00 3.99 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 17 T 7.41 4.73 4.30 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 1.23 0.00 0.00 18 S 8.47 4.25 0.00 3.97 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 19 A 7.06 3.74 1.15 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 0.00 0.00 20 A 8.98 3.06 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 21 S 8.58 4.17 0.00 3.84 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 22 S 7.50 4.61 0.00 4.02 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 23 S 8.60 4.26 0.00 4.04 4.07 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 0.00 0.00 0.00 0.00 24 N 7.96 4.72 0.00 2.78 2.88 0.00 0.00 6.43 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.10 4.01 0.00 3.03 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 26 C 8.37 4.16 0.00 3.17 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 27 N 8.16 4.38 0.00 2.88 2.92 0.00 0.00 6.77 7.46 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 28 Q 7.91 3.86 0.00 2.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.82 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 29 M 7.75 3.62 0.00 0.63 1.09 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.62 0.00 30 M 8.11 4.00 0.00 1.63 1.72 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.40 0.00 31 K 7.69 3.94 0.00 1.80 1.88 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.44 7.81 32 S 7.93 4.08 0.00 3.93 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 33 R 8.10 4.27 0.00 1.99 2.12 0.00 3.59 0.00 0.00 3.19 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 34 N 7.77 4.21 0.00 2.88 2.90 0.00 0.00 6.82 7.33 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 35 L 8.20 4.65 0.00 1.77 1.64 0.79 0.75 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 36 T 7.46 5.50 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 1.47 0.00 0.00 37 K 8.19 4.11 0.00 1.80 1.90 0.00 1.76 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.60 1.43 7.81 38 D 7.56 4.78 0.00 2.57 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 39 R 7.15 3.65 0.00 1.55 1.58 0.00 3.12 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.46 0.00 40 C 8.47 4.86 0.00 3.08 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 41 K 8.53 4.18 0.00 1.90 1.79 0.00 1.76 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.39 7.81 42 P 0.00 4.68 0.00 2.18 2.30 0.00 3.72 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 43 V 7.53 4.98 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 0.82 0.00 0.00 0.97 0.00 0.00 44 N 9.22 4.63 0.00 2.66 2.31 0.00 0.00 6.82 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 45 T 7.97 4.81 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 0.91 0.00 0.00 46 F 8.85 4.78 0.00 3.01 2.88 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 47 V 8.76 4.36 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.07 0.00 0.00 48 H 8.82 5.98 0.00 3.03 3.49 0.00 5.65 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 49 E 7.80 4.94 0.00 1.85 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 2.27 2.30 0.00 50 S 8.62 4.34 0.00 4.03 4.02 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 51 L 8.09 3.97 0.00 1.90 1.75 1.02 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.05 4.13 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 53 D 8.03 4.32 0.00 2.86 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 54 V 7.86 3.79 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 1.26 0.00 0.00 1.06 0.00 0.00 55 Q 8.47 3.91 0.00 2.09 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 56 A 8.18 4.05 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 57 V 7.52 3.46 2.13 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 1.08 0.00 0.00 0.95 0.00 0.00 58 C 7.71 3.67 0.00 2.85 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 S 7.38 4.62 0.00 3.89 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 Q 7.34 4.03 0.00 1.73 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.92 0.00 0.00 0.00 0.00 0.00 1.75 2.15 0.00 61 K 8.14 4.29 0.00 2.15 1.89 0.00 1.64 0.00 0.00 1.76 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.46 7.81 62 N 8.85 4.40 0.00 2.72 2.65 0.00 0.00 7.02 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.87 4.59 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 0.67 0.00 0.00 0.82 0.00 0.00 64 A 8.38 4.12 1.19 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 0.00 0.00 65 C 8.42 4.69 0.00 2.99 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 8.55 3.39 0.00 1.74 1.88 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.56 7.81 67 N 8.12 4.57 0.00 2.79 2.90 0.00 0.00 6.22 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.71 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 0.00 0.00 0.00 69 Q 8.33 4.14 0.00 2.28 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.42 0.00 70 T 8.35 4.30 4.19 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 1.18 0.00 0.00 71 N 8.01 5.11 0.00 3.10 3.18 0.00 0.00 6.06 7.68 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 72 C 7.88 5.38 0.00 2.92 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 73 Y 9.04 5.09 0.00 2.80 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 74 Q 9.08 5.11 0.00 2.02 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 75 S 8.96 4.18 0.00 3.89 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 76 Y 8.68 4.48 0.00 3.04 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 77 S 7.86 5.06 0.00 3.89 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 78 T 8.27 4.30 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 1.02 0.00 0.00 79 M 8.85 5.04 0.00 1.97 2.00 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 2.54 2.49 0.00 80 S 9.45 4.80 0.00 3.90 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 81 A 9.30 5.13 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 82 T 9.27 5.02 4.38 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 1.26 0.00 0.00 83 D 9.45 5.06 0.00 2.58 2.60 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 84 C 9.39 5.64 0.00 2.90 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 85 R 8.81 5.39 0.00 1.75 1.81 0.00 3.17 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 86 E 9.13 4.17 0.00 1.74 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 1.66 2.08 0.00 87 T 8.24 4.40 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 1.23 0.00 0.00 88 G 8.66 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.51 4.25 0.00 4.00 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 90 S 7.43 4.26 0.00 3.85 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 91 K 8.22 4.52 0.00 1.81 1.74 0.00 1.88 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.40 1.40 7.81 92 Y 8.14 3.84 0.00 3.26 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 93 P 0.00 2.97 0.00 1.77 1.27 0.00 3.63 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.76 0.00 94 N 7.44 4.77 0.00 2.78 2.74 0.00 0.00 7.07 7.66 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 95 C 7.98 4.48 0.00 3.15 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 96 A 8.29 5.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.34 5.14 0.00 2.81 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 98 K 9.18 4.46 0.00 1.87 1.73 0.00 1.62 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.46 7.81 99 T 8.59 4.86 4.32 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 1.32 0.00 0.00 100 T 8.86 4.54 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 101 Q 8.56 4.91 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.21 2.38 0.00 102 A 8.24 4.50 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 0.00 103 N 8.80 5.44 0.00 2.54 2.72 0.00 0.00 6.55 7.61 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 0.00 104 K 8.86 4.75 0.00 2.16 1.89 0.00 1.40 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.38 1.50 7.81 105 H 9.87 4.96 0.00 3.10 3.29 0.00 5.78 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.55 4.53 1.78 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 1.28 1.13 1.16 0.00 0.00 107 I 7.88 4.95 1.66 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 1.15 0.75 0.80 0.00 0.00 108 V 8.80 4.82 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 0.68 0.00 0.00 0.81 0.00 0.00 109 A 8.72 5.12 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 0.00 110 C 8.68 5.23 0.00 1.84 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 0.00 0.00 0.00 0.00 111 E 8.45 4.69 0.00 2.04 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 2.04 2.16 0.00 112 G 9.77 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 0.00 113 N 8.16 5.01 0.00 2.63 2.70 0.00 0.00 6.88 7.69 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 0.00 114 P 0.00 4.32 0.00 2.22 2.06 0.00 3.81 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 1.96 0.00 115 Y 8.19 4.80 0.00 2.83 2.89 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 0.00 116 V 7.91 4.39 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 0.65 0.00 0.00 0.84 0.00 0.00 117 P 0.00 4.34 0.00 0.49 1.05 0.00 3.32 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 118 V 8.60 4.43 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 0.67 0.00 0.00 0.92 0.00 0.00 119 H 7.90 5.16 0.00 3.07 3.18 0.00 5.59 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 0.00 120 F 8.99 4.75 0.00 2.82 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 0.00 121 D 8.74 4.50 0.00 2.60 2.54 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 0.00 122 A 6.60 4.45 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 0.00 123 S 8.10 4.93 0.00 3.96 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 V 9.02 3.76 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 0.90 0.00 0.00 0.93 0.00 0.00