NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4587 8.1927 115.4151 57.7878 64.1157 173.6050 4 L 3.7516 7.8173 127.5940 58.1748 42.2610 175.9591 5 C 4.3362 8.7964 120.8663 62.2126 31.9795 175.1845 6 L 4.0832 7.8972 119.6913 57.4391 41.2784 179.5168 7 Q 3.9737 8.0704 118.4135 58.9203 28.6336 178.4090 8 R 3.9313 8.1160 119.7330 59.6471 30.0923 178.5854 9 L 4.0227 8.2631 118.7493 57.8055 41.5719 179.5365 10 Q 4.0894 8.4478 118.3763 58.7129 28.5968 178.2097 11 E 3.9760 8.3417 120.4498 59.4869 29.6856 178.7688 12 E 4.1240 8.6852 118.9772 59.3152 29.4918 179.4388 13 R 4.2383 8.3890 118.7952 59.6148 30.3829 178.7411 14 K 4.0599 8.1336 118.2939 59.2682 31.9160 179.1183 15 K 4.0564 8.3731 119.9807 59.4575 31.9031 178.5903 16 W 4.3292 8.4276 127.2658 60.6688 30.7755 177.9548 17 R 4.2175 8.3748 116.5743 58.1536 29.5813 178.0026 18 K 4.6017 7.3924 114.9768 55.5260 33.1266 175.9838 19 D 4.2694 7.4339 118.3915 53.7544 43.6160 173.8580 20 H 4.2261 7.8113 120.9407 53.0601 30.9495 171.6901 21 P 4.2908 0.0000 0.0000 62.3518 31.7397 175.5608 22 F 4.3003 8.6449 122.7972 59.8080 39.8344 175.3673 23 G 3.7102 8.4875 115.9823 44.8336 0.0000 173.2403 24 F 5.0901 8.0301 117.7772 55.9744 40.7030 174.8407 25 Y 5.4419 8.0543 117.4594 56.0990 41.8662 173.6467 26 A 4.9804 8.9377 119.3274 51.0949 22.2178 175.9088 27 K 4.0934 8.9347 120.6022 54.5633 36.2912 173.7668 28 P 4.2124 0.0000 0.0000 62.9377 31.9276 176.6122 29 V 3.8987 8.6559 116.4408 61.2711 33.0059 175.3831 30 K 4.7763 8.3750 122.1813 55.6240 33.4430 177.2661 31 K 4.3286 8.9669 124.2780 54.8494 33.6683 177.6687 32 A 3.9676 8.4698 122.1754 55.1803 18.1858 178.1230 33 D 4.5292 8.0646 112.8255 53.4707 39.9891 177.4059 34 G 3.9102 8.3470 109.7374 45.3282 0.0000 174.0069 35 S 4.3891 8.3840 115.0701 57.9502 64.0015 172.8547 36 M 4.6060 8.1425 120.4884 54.2235 32.9649 176.4662 37 D 4.6023 8.8070 124.2030 52.9238 40.0847 176.6169 38 L 4.1560 8.3571 126.7091 57.2549 42.0970 178.3857 39 Q 4.5239 8.3788 116.2268 55.7050 29.0281 174.7973 40 K 5.1110 8.4862 120.5580 55.0221 35.2634 174.9628 41 W 5.2889 9.4275 127.6194 55.0298 32.7807 174.6198 42 E 5.2005 8.9675 121.4681 54.7906 31.6305 175.1739 43 A 4.8057 9.0515 125.1078 50.0006 23.2586 174.6366 44 G 3.7341 7.7526 104.9193 44.3001 0.0000 171.9936 45 I 4.2833 8.4148 125.0158 58.2317 39.6131 173.4218 46 P 4.6812 0.0000 0.0000 62.2457 32.0895 176.6772 47 G 4.5565 9.2047 110.3711 45.5965 0.0000 173.6311 48 K 4.5020 8.7482 121.3995 55.7643 33.8469 176.3491 49 E 4.0296 8.6717 121.6428 57.5132 30.1677 176.8158 50 G 4.0071 8.9871 111.6060 46.1434 0.0000 172.9323 51 T 4.8730 7.4826 109.1297 59.1774 71.6749 174.6143 52 N 4.5489 8.8789 118.3876 55.1324 38.6793 176.2371 53 W 4.4354 8.4201 117.3310 57.0492 29.7503 176.2677 54 A 4.2518 7.7667 122.3915 54.0119 18.3129 176.9237 55 G 4.1201 9.3368 109.5487 45.0774 0.0000 173.6358 56 G 3.6894 7.8974 106.2760 45.2301 0.0000 173.2485 57 V 4.4360 8.1234 123.6068 61.0102 33.1513 174.5219 58 Y 4.3587 8.5082 127.9541 56.1208 38.8287 173.5074 59 P 4.8780 0.0000 0.0000 62.4896 33.0592 175.3062 60 I 4.7635 8.7846 116.4608 59.1838 41.4544 174.0129 61 T 4.9396 8.5396 113.5229 59.9183 71.6744 173.1710 62 V 4.3716 8.6752 124.2463 61.0596 34.2846 173.9239 63 E 4.8048 8.6795 128.2108 54.8010 31.9123 174.6805 64 Y 4.4936 8.4138 123.9584 55.7388 38.8678 174.6678 65 P 4.5203 0.0000 0.0000 62.0651 32.4688 176.8578 66 N 4.3049 8.7901 116.6972 56.6411 38.6763 176.0458 67 E 4.3323 8.1173 115.0030 56.5835 29.8740 175.7083 68 Y 4.8347 8.2764 121.4310 56.7324 39.1519 174.4088 69 P 3.9879 0.0000 0.0000 62.8683 31.7193 177.9196 70 S 4.1973 8.2171 115.5505 60.7222 62.5100 174.3761 71 K 4.6022 7.7151 118.8242 53.5651 34.0558 174.0253 72 P 2.9700 0.0000 0.0000 60.9413 31.9608 174.2460 73 P 4.1666 0.0000 0.0000 62.5063 32.4634 175.0703 74 K 4.2204 8.3978 122.6118 55.0138 34.0195 175.1715 75 V 4.6041 8.0434 126.6148 60.9088 34.3498 174.0711 76 K 5.0135 8.4726 126.4210 54.6035 36.0857 176.4468 77 F 4.9560 8.5337 123.3573 55.2236 41.0309 173.1112 78 P 4.7604 0.0000 0.0000 62.4106 32.4026 176.5175 79 A 4.3990 8.5979 125.9236 53.9636 18.7618 178.2077 80 G 4.1196 8.6516 111.4710 44.8903 0.0000 173.9427 81 F 4.1413 8.0192 122.2001 58.4805 39.5735 173.6529 82 Y 4.5827 8.1285 128.5894 56.1167 39.2602 173.9290 83 H 4.5257 7.9868 123.2000 54.7908 32.8340 172.9274 84 P 4.2878 0.0000 0.0000 65.2131 31.5057 177.4486 85 N 4.9648 8.2482 113.0774 51.7405 38.7737 173.6812 86 V 4.6287 7.3580 118.6301 60.8535 33.1923 175.2880 87 Y 4.6287 8.5226 125.3112 57.3546 38.4951 175.5037 88 P 4.3931 0.0000 0.0000 65.9709 31.4806 178.9111 89 S 4.2033 8.0907 110.9662 59.6414 63.3765 175.1074 90 G 4.4066 8.6396 110.2413 46.2168 0.0000 173.2897 91 T 4.2704 7.8510 117.5442 64.2156 69.3966 173.4158 92 I 4.2792 8.2448 127.8969 60.9141 38.2903 175.3165 93 C 4.5042 8.6075 125.3367 58.3731 28.9836 173.2852 94 L 4.5815 8.1833 125.4674 53.0446 45.2206 176.3152 95 S 4.8095 9.2998 120.3029 60.8627 62.7934 176.4613 96 I 3.8995 7.7902 113.0303 62.2994 37.6805 176.6614 97 L 4.4496 7.8493 120.1751 54.3549 41.9052 175.3291 98 N 4.8572 7.7968 119.2045 51.3197 40.0000 175.1278 99 E 4.1643 8.8217 124.4863 59.2639 29.8579 177.3410 100 D 4.8588 8.5051 117.7843 54.4004 42.9271 175.8718 101 Q 4.4342 8.9580 117.1178 56.4856 28.8240 176.2475 102 D 4.8389 6.0500 123.6939 54.0909 42.3177 176.3215 103 W 4.6743 8.0976 129.5616 57.0824 31.3094 175.2815 104 R 4.1621 6.9747 123.0537 53.3075 33.1071 174.4597 105 P 4.0420 0.0000 0.0000 64.3812 31.4228 177.3230 106 A 4.0449 7.3420 119.0017 53.3210 18.8770 177.7008 107 I 3.7473 7.0160 117.7105 62.1735 37.6032 176.6782 108 T 4.6991 8.7814 116.1235 60.2731 71.7807 175.7920 109 L 3.9341 8.6894 122.6157 58.0119 41.9936 178.6007 110 K 4.1343 8.4406 119.2251 59.9639 32.0896 178.5068 111 Q 4.0349 8.0827 117.6826 58.9369 28.5170 178.7304 112 I 3.7286 7.8085 120.7459 64.7256 37.1644 178.9733 113 V 3.7003 8.2021 113.3857 64.4501 31.3322 178.7806 114 L 4.2215 8.2658 119.0610 57.5690 41.5404 179.6860 115 G 3.6241 8.2617 105.8417 47.7473 0.0000 175.9441 116 V 3.5249 7.8618 120.0083 65.5984 31.7264 177.3620 117 Q 4.1392 8.3703 119.5013 59.6480 28.6825 178.2508 118 D 4.3952 8.2918 118.6156 57.4192 41.0958 178.4030 119 L 4.0279 7.7504 120.4721 57.7457 41.7684 178.7918 120 L 3.0889 7.0804 118.3101 57.3565 41.3812 177.6723 121 D 4.9135 7.6714 113.5412 54.5227 41.6596 176.5621 122 S 4.6926 7.5700 113.7597 56.4456 63.3166 171.0906 123 P 4.4316 0.0000 0.0000 62.0408 32.1078 175.6166 124 N 4.6115 9.1136 122.1047 51.7360 39.3862 174.2542 125 P 3.3860 0.0000 0.0000 64.8192 31.7483 176.6019 126 N 4.6003 8.4775 115.8306 53.4558 38.6898 175.2926 127 S 4.5428 7.2791 114.1804 56.9290 63.5768 174.0546 128 P 4.1479 0.0000 0.0000 62.0480 29.5626 176.2367 129 A 3.7697 8.2696 128.8996 54.2634 19.3499 178.3240 130 Q 4.4555 7.6099 115.9817 53.4065 31.7363 174.8605 131 E 4.1529 8.8800 128.6092 59.0872 29.8795 176.8806 132 P 4.3563 0.0000 0.0000 65.6990 31.3687 178.2383 133 A 3.9200 7.8834 121.4621 54.1499 18.3931 179.1619 134 W 4.3514 8.3896 127.0242 60.6985 30.7358 178.1852 135 R 3.7806 8.3408 118.7061 59.4731 29.4976 178.7570 136 S 4.1679 8.3974 115.1005 61.5660 62.6753 176.2173 137 F 3.5253 8.2088 122.4902 61.2627 38.9669 177.0211 138 S 3.8143 7.4561 113.4694 60.6639 62.8426 175.9259 139 R 4.3903 7.9911 118.9970 56.4499 32.4514 176.7858 140 N 4.9506 8.2342 116.9471 50.4381 40.0867 173.9402 141 K 3.7512 8.2378 123.4685 59.6357 32.5459 177.1813 142 A 4.0182 7.9634 120.1588 55.1691 18.4366 179.1286 143 E 3.8285 8.0840 117.2920 59.3430 29.8542 177.7758 144 Y 4.2096 8.2592 119.8636 61.2752 38.7678 178.1631 145 D 4.2978 8.8456 119.7324 57.2120 40.9274 178.7919 146 K 3.8129 7.9975 120.1734 59.2561 32.0853 179.0981 147 K 3.5570 7.6134 118.4958 59.1204 31.7491 179.3938 148 V 2.8108 7.0804 118.3993 65.8176 31.3335 178.0992 149 L 3.8322 7.7237 118.6658 57.6918 41.3085 179.5761 150 L 3.9048 7.7896 119.0184 57.6711 41.5350 179.2950 151 Q 3.8400 8.0679 119.5299 58.8181 28.6784 178.0277 152 A 4.5083 7.9143 122.8858 54.6385 18.7688 179.0865 153 K 3.9661 7.9554 118.0455 59.7468 31.9849 178.6031 154 Q 3.8626 8.0412 119.0132 58.6404 29.0163 177.1059 155 Y 4.7071 7.7394 115.6710 57.0158 38.4137 175.8777 156 S 5.0641 7.0290 115.7978 57.2676 63.9044 174.6635 157 K 4.1726 8.4068 120.2060 56.9121 31.9066 177.2760 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 3 S 8.19 4.46 0.00 4.04 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 L 7.82 3.75 0.00 1.85 1.72 0.89 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 5 C 8.80 4.34 0.00 3.32 2.98 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 6 L 7.90 4.08 0.00 1.76 1.73 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.07 3.97 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.78 0.00 0.00 0.00 0.00 0.00 2.39 2.57 0.00 8 R 8.12 3.93 0.00 1.97 2.22 0.00 3.29 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 1.44 1.89 0.00 9 L 8.26 4.02 0.00 1.76 1.77 0.80 -0.74 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 10 Q 8.45 4.09 0.00 2.22 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.53 0.00 11 E 8.34 3.98 0.00 2.18 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 0.00 2.37 2.40 0.00 12 E 8.69 4.12 0.00 2.25 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 2.60 2.48 0.00 13 R 8.39 4.24 0.00 2.12 2.19 0.00 2.93 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.41 0.00 14 K 8.13 4.06 0.00 1.94 1.90 0.00 1.77 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.50 1.50 7.81 15 K 8.37 4.06 0.00 1.91 2.22 0.00 1.70 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.60 1.54 7.81 16 W 8.43 4.33 0.00 3.78 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.37 4.22 0.00 1.93 2.06 0.00 3.27 0.00 0.00 3.28 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.92 0.00 18 K 7.39 4.60 0.00 1.78 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.55 7.81 19 D 7.43 4.27 0.00 2.46 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.81 4.23 0.00 1.40 1.40 0.00 5.59 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 P 0.00 4.29 0.00 1.78 1.91 0.00 3.03 0.00 0.00 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 1.17 0.00 22 F 8.64 4.30 0.00 3.04 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 23 G 8.49 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 24 F 8.03 5.09 0.00 3.11 3.40 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 25 Y 8.05 5.44 0.00 3.15 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 26 A 8.94 4.98 0.22 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 27 K 8.93 4.09 0.00 1.63 1.81 0.00 1.33 0.00 0.00 1.73 0.00 0.00 3.09 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.53 1.38 7.81 28 P 0.00 4.21 0.00 1.57 1.83 0.00 2.94 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 29 V 8.66 3.90 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 0.80 0.00 0.00 0.96 0.00 0.00 30 K 8.37 4.78 0.00 1.61 1.70 0.00 1.92 0.00 0.00 1.64 0.00 0.00 2.85 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.37 7.81 31 K 8.97 4.33 0.00 1.92 1.74 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.49 7.81 32 A 8.47 3.97 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 33 D 8.06 4.53 0.00 2.77 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 34 G 8.35 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 0.00 0.00 0.00 35 S 8.38 4.39 0.00 3.99 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 36 M 8.14 4.61 0.00 1.88 1.95 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.39 0.00 37 D 8.81 4.60 0.00 2.65 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 38 L 8.36 4.16 0.00 1.73 1.83 0.95 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 39 Q 8.38 4.52 0.00 2.22 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.75 0.00 0.00 0.00 0.00 0.00 2.38 2.34 0.00 40 K 8.49 5.11 0.00 1.87 1.79 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.42 7.81 41 W 9.43 5.29 0.00 3.14 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 42 E 8.97 5.20 0.00 1.99 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 2.26 2.27 0.00 43 A 9.05 4.81 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 0.00 0.00 0.00 0.00 0.00 0.00 44 G 7.75 3.73 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 0.00 0.00 0.00 45 I 8.41 4.28 1.97 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.87 0.91 0.00 0.00 46 P 0.00 4.68 0.00 2.01 1.88 0.00 2.20 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.62 0.00 47 G 9.20 4.56 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 48 K 8.75 4.50 0.00 2.07 2.08 0.00 1.59 0.00 0.00 1.84 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.53 7.81 49 E 8.67 4.03 0.00 2.03 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 2.37 2.44 0.00 50 G 8.99 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 51 T 7.48 4.87 4.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 52 N 8.88 4.55 0.00 2.68 2.77 0.00 0.00 6.93 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 53 W 8.42 4.44 0.00 3.56 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.77 4.25 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 55 G 9.34 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 G 7.90 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.12 4.44 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 0.89 0.00 0.00 0.87 0.00 0.00 58 Y 8.51 4.36 0.00 3.10 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 59 P 0.00 4.88 0.00 2.18 2.29 0.00 3.12 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 60 I 8.78 4.76 1.44 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.78 0.10 0.00 0.00 61 T 8.54 4.94 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 1.19 0.00 0.00 62 V 8.68 4.37 1.66 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 0.04 0.00 0.00 0.61 0.00 0.00 63 E 8.68 4.80 0.00 1.70 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 2.13 2.11 0.00 64 Y 8.41 4.49 0.00 2.62 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 65 P 0.00 4.52 0.00 2.22 2.13 0.00 3.67 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 2.11 2.01 0.00 66 N 8.79 4.30 0.00 2.75 2.97 0.00 0.00 6.96 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 67 E 8.12 4.33 0.00 2.10 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 2.39 2.37 0.00 68 Y 8.28 4.83 0.00 3.13 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 69 P 0.00 3.99 0.00 2.13 1.33 0.00 3.61 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 1.89 1.69 0.00 70 S 8.22 4.20 0.00 3.90 4.18 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 71 K 7.72 4.60 0.00 1.84 1.58 0.00 1.93 0.00 0.00 1.90 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.62 1.41 7.81 72 P 0.00 2.97 0.00 1.50 0.81 0.00 3.51 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 73 P 0.00 4.17 0.00 1.23 0.71 0.00 2.74 0.00 0.00 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.45 0.00 74 K 8.40 4.22 0.00 1.65 1.50 0.00 1.46 0.00 0.00 1.65 0.00 0.00 2.69 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.25 7.81 75 V 8.04 4.60 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.59 0.00 0.00 76 K 8.47 5.01 0.00 1.59 1.58 0.00 1.63 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.36 1.26 7.81 77 F 8.53 4.96 0.00 2.76 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 0.00 0.00 0.00 0.00 78 P 0.00 4.76 0.00 2.37 2.16 0.00 3.73 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.24 0.00 79 A 8.60 4.40 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 80 G 8.65 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 8.02 4.14 0.00 3.24 3.04 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 82 Y 8.13 4.58 0.00 2.84 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 83 H 7.99 4.53 0.00 3.34 3.17 0.00 5.74 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 84 P 0.00 4.29 0.00 2.10 2.40 0.00 3.09 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 2.31 0.00 85 N 8.25 4.96 0.00 2.76 2.67 0.00 0.00 7.04 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 86 V 7.36 4.63 2.27 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 1.11 0.00 0.00 1.14 0.00 0.00 87 Y 8.52 4.63 0.00 3.09 2.79 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 88 P 0.00 4.39 0.00 2.25 2.21 0.00 3.85 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.21 0.00 89 S 8.09 4.20 0.00 3.98 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 G 8.64 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 4.27 4.48 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 1.29 0.00 0.00 92 I 8.24 4.28 1.68 0.00 0.00 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.44 0.81 0.00 0.00 93 C 8.61 4.50 0.00 2.75 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 94 L 8.18 4.58 0.00 1.58 1.38 0.88 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 95 S 9.30 4.81 0.00 4.19 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 I 7.79 3.90 2.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.13 0.94 0.00 0.00 97 L 7.85 4.45 0.00 1.72 1.59 0.77 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 98 N 7.80 4.86 0.00 2.69 2.83 0.00 0.00 6.89 7.65 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 99 E 8.82 4.16 0.00 2.22 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 2.26 2.35 0.00 100 D 8.51 4.86 0.00 2.85 2.75 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 0.00 101 Q 8.96 4.43 0.00 2.32 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.72 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 102 D 6.05 4.84 0.00 2.79 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 0.00 103 W 8.10 4.67 0.00 3.44 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 0.00 104 R 6.97 4.16 0.00 1.41 1.42 0.00 3.24 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.39 0.00 105 P 0.00 4.04 0.00 1.87 2.10 0.00 3.46 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.15 0.00 106 A 7.34 4.04 1.13 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 0.00 0.00 107 I 7.02 3.75 1.23 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.23 1.02 0.00 0.00 108 T 8.78 4.70 4.34 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 1.24 0.00 0.00 109 L 8.69 3.93 0.00 1.75 1.80 0.59 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.44 4.13 0.00 1.96 1.88 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.48 7.81 111 Q 8.08 4.03 0.00 2.39 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 112 I 7.81 3.73 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.01 0.81 0.00 0.00 113 V 8.20 3.70 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 0.80 0.00 0.00 1.19 0.00 0.00 114 L 8.27 4.22 0.00 1.71 1.73 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.26 3.62 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 0.00 0.00 0.00 116 V 7.86 3.52 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 0.71 0.00 0.00 0.83 0.00 0.00 117 Q 8.37 4.14 0.00 2.59 2.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.54 0.00 0.00 0.00 0.00 0.00 2.46 2.64 0.00 118 D 8.29 4.40 0.00 2.83 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 0.00 119 L 7.75 4.03 0.00 1.82 1.76 0.95 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.08 3.09 0.00 1.01 0.13 0.79 0.76 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 0.00 121 D 7.67 4.91 0.00 2.65 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 0.00 122 S 7.57 4.69 0.00 3.87 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 0.00 123 P 0.00 4.43 0.00 1.37 1.60 0.00 3.46 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 0.95 1.79 0.00 124 N 9.11 4.61 0.00 2.60 2.52 0.00 0.00 6.80 7.78 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 0.00 125 P 0.00 3.39 0.00 2.29 2.53 0.00 3.78 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.11 0.00 126 N 8.48 4.60 0.00 2.73 2.80 0.00 0.00 6.74 7.18 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 0.00 127 S 7.28 4.54 0.00 3.55 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.15 0.00 1.79 0.93 0.00 3.51 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.67 0.00 129 A 8.27 3.77 0.49 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 0.00 0.00 0.00 0.00 0.00 0.00 130 Q 7.61 4.46 0.00 2.34 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 131 E 8.88 4.15 0.00 2.15 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 2.46 2.47 0.00 132 P 0.00 4.36 0.00 2.50 2.40 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.14 0.00 133 A 7.88 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 W 8.39 4.35 0.00 3.41 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 0.00 135 R 8.34 3.78 0.00 2.05 2.15 0.00 3.19 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 136 S 8.40 4.17 0.00 4.29 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 0.00 137 F 8.21 3.53 0.00 2.17 2.72 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 0.00 138 S 7.46 3.81 0.00 3.47 3.53 0.00 0.00 0.00 0.00 0.00 0.00 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 7.99 4.39 0.00 1.92 1.91 0.00 3.09 0.00 0.00 3.09 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 140 N 8.23 4.95 0.00 2.65 2.65 0.00 0.00 6.67 6.72 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 0.00 141 K 8.24 3.75 0.00 1.68 1.74 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.69 1.43 7.81 142 A 7.96 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 0.00 143 E 8.08 3.83 0.00 2.15 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 2.39 2.34 0.00 144 Y 8.26 4.21 0.00 3.32 3.25 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 0.00 145 D 8.85 4.30 0.00 2.68 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 0.00 146 K 8.00 3.81 0.00 1.82 1.86 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.30 1.38 7.81 147 K 7.61 3.56 0.00 1.47 0.74 0.00 0.61 0.00 0.00 1.05 0.00 0.00 2.63 0.00 0.00 2.58 0.00 0.00 0.00 0.00 1.06 1.02 7.81 148 V 7.08 2.81 1.72 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 -0.29 0.00 0.00 0.30 0.00 0.00 149 L 7.72 3.83 0.00 1.71 1.60 0.91 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 150 L 7.79 3.90 0.00 1.63 1.56 0.80 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.07 3.84 0.00 1.88 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 152 A 7.91 4.51 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 K 7.96 3.97 0.00 1.96 1.86 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.88 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.43 7.81 154 Q 8.04 3.86 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.05 0.00 0.00 0.00 0.00 0.00 1.46 2.07 0.00 155 Y 7.74 4.71 0.00 3.15 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 0.00 156 S 7.03 5.06 0.00 4.11 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 0.00 157 K 8.41 4.17 0.00 1.76 1.72 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.43 7.81