NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 P 4.5481 0.0000 0.0000 62.4979 32.9895 176.7865 5 S 4.4826 8.8406 118.6794 57.0443 65.9936 173.7316 6 M 4.1001 9.2298 121.5591 58.7260 31.9299 179.9926 7 E 3.8267 8.0238 118.1864 59.2670 29.6976 178.9472 8 D 4.3545 7.6996 119.1691 57.5349 40.8012 178.4836 9 Y 3.9060 8.0187 116.8611 61.1870 37.8478 178.5633 10 I 3.7454 7.9911 120.8435 64.3075 37.2383 178.0406 11 E 3.9576 8.3750 120.2194 59.6008 29.5104 178.9923 12 Q 4.1078 8.0859 117.6078 58.6581 28.8020 178.6472 13 I 3.7786 8.2116 121.4215 64.4755 37.1851 177.6711 14 Y 4.0643 8.3907 120.6618 61.0693 38.5410 178.0686 15 M 4.0925 8.1589 119.2973 58.5463 32.0823 178.8163 16 L 3.9138 8.0355 118.9750 57.8516 41.7655 179.6649 17 I 3.7730 7.8119 119.7553 64.3218 36.7373 178.3453 18 E 3.8738 7.7132 118.7806 58.8133 29.3397 178.6837 19 E 3.9945 8.1563 118.9137 58.8381 29.9434 178.0680 20 K 4.1600 8.2327 116.0395 55.7244 33.5049 177.4888 21 G 4.0108 8.6852 106.1783 45.1888 0.0000 172.5187 22 Y 4.6722 6.4563 114.9626 55.9520 40.4217 174.2051 23 A 4.6285 8.4652 123.0672 50.0015 20.2075 176.6395 24 R 4.3366 8.4410 120.8889 56.4819 32.4141 177.8587 25 V 3.6885 8.4445 121.6610 66.2311 31.5578 178.6666 26 S 4.1333 8.0493 113.6169 61.5880 62.9366 176.1305 27 D 4.4209 8.0090 122.0233 56.9362 40.6504 178.6780 28 I 3.7216 8.0621 120.3077 64.3144 37.1903 178.1641 29 A 4.0294 8.2503 121.8512 55.2359 17.9702 179.3663 30 E 3.8687 8.3044 117.5145 59.3949 29.5381 178.9171 31 A 4.0038 8.0021 119.7405 54.4111 18.5389 178.5932 32 L 4.2408 7.8122 114.2610 53.2632 43.2610 176.1274 33 A 3.7554 7.4864 121.2488 53.2839 16.3068 176.1198 34 V 4.6003 7.7232 112.7141 59.3655 36.6464 175.7751 35 H 4.4132 8.5496 120.4247 55.3195 30.5503 174.1087 36 P 4.3011 0.0000 0.0000 65.9301 31.0665 178.9124 37 S 4.1638 8.2301 112.3898 61.8113 62.8790 176.6541 38 S 4.1727 8.2553 118.7602 61.1459 62.5544 176.9778 39 V 3.7509 7.7195 120.4120 66.4897 31.4892 177.9731 40 T 3.9361 8.2297 115.8535 66.4965 68.1749 176.4915 41 K 3.8817 8.1605 121.4648 59.7477 32.2056 178.6506 42 M 3.8162 7.7304 118.3076 58.3899 31.9139 178.2242 43 V 3.6064 8.2124 118.8116 66.1537 31.5899 178.0203 44 Q 4.1172 8.1031 117.7517 58.8700 28.5156 178.7336 45 K 3.9490 7.8901 120.2732 59.5876 32.2440 178.9291 46 L 4.2147 8.3579 119.6701 57.6320 40.9312 179.1069 47 D 4.7298 8.3126 119.7619 56.7334 41.0096 178.0517 48 K 3.9541 8.0561 119.0358 59.5955 32.2556 177.5689 49 D 4.5682 8.0848 115.7267 53.5219 40.9653 175.9384 50 E 3.7177 7.8841 117.7869 57.8555 27.5743 174.9905 51 Y 4.6169 8.3148 117.8883 59.3635 39.9191 175.6119 52 L 4.9886 7.5852 118.0968 55.0761 44.1999 173.4682 53 I 4.8125 9.1879 112.6470 58.6320 41.5446 174.7850 54 Y 5.0819 7.0770 117.3899 55.0624 37.6990 174.1061 55 E 3.9741 8.2224 121.4009 57.6260 31.2554 178.2953 56 K 3.5801 8.4613 127.8570 57.5659 33.2968 178.7358 57 Y 4.6735 7.9765 132.2400 56.0575 36.0573 175.3907 58 R 3.7899 9.1010 126.5188 55.0325 30.0008 179.6654 59 G 3.8470 7.5655 104.6268 44.4105 0.0000 170.3799 60 L 4.6844 8.1822 123.4949 55.1506 42.8441 177.5337 61 V 4.5351 8.8948 126.2703 60.9534 34.5045 174.6483 62 L 4.8155 8.7278 127.9611 54.9518 42.6793 176.9177 63 T 4.4467 8.5546 113.5790 60.5708 70.8185 175.8066 64 S 4.1681 8.7478 116.3142 61.5789 62.7353 176.4645 65 K 4.0733 8.0783 122.7984 59.2825 31.9714 178.9488 66 G 3.8502 8.0453 105.7012 47.7073 0.0000 175.9516 67 K 4.2601 8.6271 121.2732 59.3047 32.1301 179.6221 68 K 3.9799 8.2621 118.7804 59.5760 31.8869 179.5690 69 I 3.9160 7.9122 120.0531 64.1339 37.0479 178.6829 70 G 3.3368 8.2283 106.8031 47.5556 0.0000 175.5302 71 K 3.2762 7.4361 122.4284 58.9844 32.0979 178.9501 72 R 4.1458 7.8627 118.1861 59.4300 29.9812 179.0921 73 L 3.9934 8.2130 119.0073 57.8048 41.5455 179.7823 74 V 3.6290 7.8774 118.2770 65.9049 31.3535 177.4295 75 Y 4.0971 8.1640 119.4354 60.7700 38.6957 178.1024 76 R 3.5504 8.2950 119.7116 59.4473 30.1269 177.9374 77 H 4.0004 8.3533 118.0656 59.3208 29.9517 177.0391 78 E 3.9820 8.3295 120.4982 59.3626 29.2171 179.1449 79 L 3.8448 7.8280 120.5096 58.1739 42.0841 179.0752 80 L 4.0584 7.8207 118.8884 57.7020 41.3980 179.4150 81 E 3.9589 8.1462 118.6266 59.5537 29.4153 179.3359 82 Q 4.0075 8.1846 118.0812 58.7978 28.7130 178.6026 83 F 4.2899 8.5358 121.8675 61.5823 39.5353 177.2387 84 L 3.4004 7.9781 118.4486 57.3864 41.3582 179.6653 85 R 3.7973 8.2139 119.0727 59.5059 29.8541 178.6491 86 I 3.6617 7.8400 118.9952 64.0327 37.1777 177.6117 87 I 3.8664 7.1508 110.8872 61.0238 37.6330 176.5630 88 G 3.8098 7.4911 108.7761 45.4293 0.0000 174.0099 89 V 3.6346 7.3149 119.3320 61.9732 32.2458 175.7573 90 D 4.3576 8.6794 126.0798 54.8613 41.3400 177.0190 91 E 3.9294 9.1149 124.3933 59.6382 29.2539 178.9419 92 E 3.9717 8.1524 115.8757 59.0299 29.7295 178.4390 93 K 4.2660 8.1535 118.3581 57.6023 32.4081 178.9090 94 I 3.6946 7.4145 121.0856 64.5057 36.9953 177.2659 95 Y 4.0817 8.0824 119.5616 61.1289 38.6646 177.8892 96 N 4.2521 8.3084 116.5934 56.3028 38.5287 177.1023 97 D 4.2439 7.7973 120.3372 57.3991 40.9549 178.9214 98 V 3.4722 7.7506 118.7291 65.9635 31.2154 177.7558 99 E 3.9350 7.9902 117.9622 59.2937 29.3398 179.2042 100 G 3.7531 7.7513 104.2447 46.1644 0.0000 174.8303 101 I 4.3621 7.4300 114.3581 61.5977 38.8943 177.3009 102 E 3.6911 7.8261 118.2276 59.4536 29.0930 177.6316 103 H 4.7339 7.7474 113.1301 55.6771 28.7822 174.7462 104 H 4.9094 8.4207 115.1727 55.1892 29.3951 173.1830 105 L 4.6718 7.4942 119.4925 52.4371 43.9182 177.2825 106 S 4.3586 8.3081 118.0655 57.9746 65.1580 175.4579 107 W 4.0628 8.6813 122.1768 59.6237 28.7815 178.2647 108 N 4.3637 8.3295 116.8355 56.9374 38.3554 176.9427 109 S 4.0987 7.9688 115.9803 61.5579 62.8678 176.7007 110 I 3.5901 7.7066 122.4750 64.6351 36.8655 178.3360 111 D 4.5388 8.9151 119.9396 57.4105 40.6263 179.0789 112 R 4.1725 8.2515 118.7624 59.1375 29.9588 179.0783 113 I 3.6874 8.1558 120.3113 63.9296 36.9690 178.6441 114 G 3.6798 8.2238 106.9541 47.9426 0.0000 175.5610 115 D 4.4457 8.1483 121.3761 56.8595 40.8595 178.5801 116 L 3.9326 7.9812 120.9463 58.1587 42.0888 179.1484 117 V 3.8417 8.1728 118.3992 66.2755 31.4504 177.7329 118 Q 4.0120 8.2796 119.2729 59.1594 28.6189 177.3882 119 Y 4.0248 7.9875 120.0396 61.0645 38.7298 178.1992 120 F 4.3412 8.2301 118.1847 60.3725 38.8156 177.7367 121 E 3.8788 8.4315 117.8450 59.1160 29.3003 178.5574 122 E 4.2994 8.1808 119.0590 57.7049 29.9665 176.2247 123 D 4.4282 7.5176 118.5654 51.5812 43.3208 174.9666 124 D 4.4216 8.8871 126.8863 57.1478 41.0661 177.7716 125 A 4.0523 8.3879 121.4940 55.2318 18.3143 179.7836 126 R 3.9992 8.1596 116.7079 59.2924 30.0824 179.4010 127 K 4.0133 8.0608 118.0249 59.2787 32.0963 179.4244 128 K 4.0100 8.0635 118.8898 59.6088 31.9870 179.1983 129 D 4.4172 8.3702 119.2627 57.1917 40.6966 178.5592 130 L 4.0342 8.2016 120.9626 58.1587 42.2053 179.2325 131 K 3.9992 8.1576 118.4598 59.4842 31.7858 179.5034 132 S 4.1773 8.0501 115.5940 61.6449 62.7391 176.8261 133 I 3.7757 7.7590 122.5734 64.4650 36.6241 178.4841 134 Q 4.0537 7.9349 118.0008 58.8389 28.5170 178.7971 135 K 4.1682 7.9077 119.2978 59.3056 31.9223 179.3427 136 K 4.1191 7.8472 119.2027 59.6237 31.9121 179.3281 137 T 4.0080 7.9125 109.2113 64.6415 68.5932 175.0091 138 E 4.0337 7.7869 123.2030 58.4747 29.6525 177.1370 139 H 4.4087 8.0822 116.5831 58.4674 29.9498 175.5370 140 H 4.4542 7.9107 119.4913 56.1689 28.5370 175.4796 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 4 P 0.00 4.55 0.00 1.99 1.88 0.00 3.71 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 1.82 2.02 0.00 5 S 8.84 4.48 0.00 4.04 4.03 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 6 M 9.23 4.10 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.57 0.00 7 E 8.02 3.83 0.00 1.56 1.61 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 2.27 2.27 0.00 8 D 7.70 4.35 0.00 2.99 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 9 Y 8.02 3.91 0.00 3.23 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 10 I 7.99 3.75 1.79 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.71 0.90 0.00 0.00 11 E 8.38 3.96 0.00 2.16 2.18 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 2.35 2.40 0.00 12 Q 8.09 4.11 0.00 2.12 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 13 I 8.21 3.78 2.11 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 1.52 1.15 1.01 0.00 0.00 14 Y 8.39 4.06 0.00 3.18 3.15 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 15 M 8.16 4.09 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.70 0.00 16 L 8.04 3.91 0.00 1.86 1.84 0.99 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.81 3.77 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.65 0.81 0.00 0.00 18 E 7.71 3.87 0.00 1.93 1.88 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 1.77 2.02 0.00 19 E 8.16 3.99 0.00 1.92 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.28 0.00 20 K 8.23 4.16 0.00 1.20 0.83 0.00 1.63 0.00 0.00 1.55 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.20 1.22 7.81 21 G 8.69 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 22 Y 6.46 4.67 0.00 3.04 2.95 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 A 8.47 4.63 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 24 R 8.44 4.34 0.00 1.98 1.91 0.00 3.16 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.97 0.00 25 V 8.44 3.69 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 1.20 0.00 0.00 0.97 0.00 0.00 26 S 8.05 4.13 0.00 4.10 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 27 D 8.01 4.42 0.00 2.97 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 28 I 8.06 3.72 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.05 1.03 0.00 0.00 29 A 8.25 4.03 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 30 E 8.30 3.87 0.00 2.16 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 2.30 2.32 0.00 31 A 8.00 4.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 L 7.81 4.24 0.00 1.46 1.51 -0.11 0.53 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 33 A 7.49 3.76 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 34 V 7.72 4.60 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 0.75 0.00 0.00 0.99 0.00 0.00 35 H 8.55 4.41 0.00 3.25 3.21 0.00 5.89 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 4.30 0.00 2.11 2.08 0.00 3.05 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 37 S 8.23 4.16 0.00 4.09 4.24 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 38 S 8.26 4.17 0.00 4.19 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 39 V 7.72 3.75 2.35 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 1.07 0.00 0.00 1.21 0.00 0.00 40 T 8.23 3.94 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 1.18 0.00 0.00 41 K 8.16 3.88 0.00 1.82 2.02 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.42 7.81 42 M 7.73 3.82 0.00 1.30 1.20 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.92 0.00 43 V 8.21 3.61 2.26 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 1.22 0.00 0.00 1.02 0.00 0.00 44 Q 8.10 4.12 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.49 2.52 0.00 45 K 7.89 3.95 0.00 1.78 1.94 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.50 7.81 46 L 8.36 4.21 0.00 1.93 1.83 0.92 0.70 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 47 D 8.31 4.73 0.00 2.87 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 48 K 8.06 3.95 0.00 1.80 2.05 0.00 1.86 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.49 7.81 49 D 8.08 4.57 0.00 2.88 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 50 E 7.88 3.72 0.00 1.92 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 2.16 2.30 0.00 51 Y 8.31 4.62 0.00 3.10 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 52 L 7.59 4.99 0.00 1.93 1.83 1.00 0.48 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 53 I 9.19 4.81 1.68 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.54 0.80 0.00 0.00 54 Y 7.08 5.08 0.00 2.95 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 55 E 8.22 3.97 0.00 1.94 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 2.42 0.00 56 K 8.46 3.58 0.00 1.74 0.74 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.23 1.39 7.81 57 Y 7.98 4.67 0.00 3.02 2.32 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 58 R 9.10 3.79 0.00 1.99 1.90 0.00 3.32 0.00 0.00 3.27 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 59 G 7.57 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.18 4.68 0.00 1.78 1.70 1.03 0.88 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 61 V 8.89 4.54 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 0.92 0.00 0.00 1.06 0.00 0.00 62 L 8.73 4.82 0.00 1.67 1.70 1.20 1.08 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 63 T 8.55 4.45 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 64 S 8.75 4.17 0.00 4.08 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 0.00 65 K 8.08 4.07 0.00 1.79 1.78 0.00 1.57 0.00 0.00 1.67 0.00 0.00 2.67 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.53 1.50 7.81 66 G 8.05 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 67 K 8.63 4.26 0.00 2.02 2.05 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.61 1.81 7.81 68 K 8.26 3.98 0.00 1.84 1.87 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.71 7.81 69 I 7.91 3.92 1.96 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.04 0.91 0.00 0.00 70 G 8.23 3.34 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 0.00 71 K 7.44 3.28 0.00 1.76 1.86 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.55 7.81 72 R 7.86 4.15 0.00 2.27 2.41 0.00 3.61 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 1.94 1.96 0.00 73 L 8.21 3.99 0.00 1.78 1.74 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 74 V 7.88 3.63 2.14 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 1.22 0.00 0.00 1.13 0.00 0.00 75 Y 8.16 4.10 0.00 3.20 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 76 R 8.29 3.55 0.00 1.84 1.96 0.00 2.94 0.00 0.00 2.97 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.36 0.00 77 H 8.35 4.00 0.00 3.47 3.41 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.33 3.98 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 2.38 2.49 0.00 79 L 7.83 3.84 0.00 1.12 1.42 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.82 4.06 0.00 1.76 1.67 0.76 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.15 3.96 0.00 2.22 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 2.32 2.53 0.00 82 Q 8.18 4.01 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 83 F 8.54 4.29 0.00 3.04 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 84 L 7.98 3.40 0.00 1.62 1.53 0.88 0.42 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 85 R 8.21 3.80 0.00 1.93 2.06 0.00 3.09 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 86 I 7.84 3.66 1.98 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 1.59 0.84 0.72 0.00 0.00 87 I 7.15 3.87 1.65 0.00 0.00 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.25 0.73 0.00 0.00 88 G 7.49 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.31 3.63 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 0.73 0.00 0.00 0.80 0.00 0.00 90 D 8.68 4.36 0.00 2.72 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 91 E 9.11 3.93 0.00 2.05 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 2.37 2.45 0.00 92 E 8.15 3.97 0.00 2.16 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 0.00 2.27 2.40 0.00 93 K 8.15 4.27 0.00 1.93 1.87 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.46 7.81 94 I 7.41 3.69 2.01 0.00 0.00 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 1.35 0.79 0.91 0.00 0.00 95 Y 8.08 4.08 0.00 3.06 2.99 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 96 N 8.31 4.25 0.00 2.83 2.85 0.00 0.00 7.02 8.08 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 97 D 7.80 4.24 0.00 2.80 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 98 V 7.75 3.47 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 0.62 0.00 0.00 0.92 0.00 0.00 99 E 7.99 3.94 0.00 1.89 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 1.47 1.84 0.00 100 G 7.75 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 0.00 101 I 7.43 4.36 1.84 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 1.68 1.21 0.96 0.00 0.00 102 E 7.83 3.69 0.00 1.85 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 2.06 1.57 0.00 103 H 7.75 4.73 0.00 2.96 3.28 0.00 5.64 0.00 0.00 0.00 0.00 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 H 8.42 4.91 0.00 3.15 3.21 0.00 5.60 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 L 7.49 4.67 0.00 1.44 1.42 0.81 0.86 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 0.00 106 S 8.31 4.36 0.00 4.09 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 0.00 107 W 8.68 4.06 0.00 3.46 3.27 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 0.00 108 N 8.33 4.36 0.00 2.89 2.86 0.00 0.00 7.24 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 7.97 4.10 0.00 4.04 3.81 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 0.00 0.00 0.00 110 I 7.71 3.59 1.97 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.23 0.91 0.00 0.00 111 D 8.92 4.54 0.00 2.82 2.80 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 0.00 112 R 8.25 4.17 0.00 1.92 1.93 0.00 3.28 0.00 0.00 3.15 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 113 I 8.16 3.69 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.55 0.38 0.00 0.00 114 G 8.22 3.68 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 0.00 0.00 0.00 115 D 8.15 4.45 0.00 2.89 2.74 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 0.00 0.00 0.00 0.00 116 L 7.98 3.93 0.00 1.87 1.92 0.97 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 117 V 8.17 3.84 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 1.13 0.00 0.00 1.17 0.00 0.00 118 Q 8.28 4.01 0.00 2.30 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.53 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 119 Y 7.99 4.02 0.00 2.90 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 0.00 120 F 8.23 4.34 0.00 3.36 3.07 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 0.00 121 E 8.43 3.88 0.00 2.00 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 2.74 2.53 0.00 122 E 8.18 4.30 0.00 2.01 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 0.00 2.25 2.28 0.00 123 D 7.52 4.43 0.00 2.54 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 0.00 0.00 0.00 124 D 8.89 4.42 0.00 2.75 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 0.00 125 A 8.39 4.05 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 0.00 126 R 8.16 4.00 0.00 1.96 2.01 0.00 2.60 0.00 0.00 2.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.49 0.00 127 K 8.06 4.01 0.00 2.02 1.82 0.00 1.84 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.49 1.79 7.81 128 K 8.06 4.01 0.00 1.99 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.77 1.63 7.81 129 D 8.37 4.42 0.00 2.79 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 0.00 130 L 8.20 4.03 0.00 1.94 1.79 0.95 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 131 K 8.16 4.00 0.00 2.04 1.83 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.63 7.81 132 S 8.05 4.18 0.00 4.13 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 0.00 133 I 7.76 3.78 2.06 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 1.57 0.82 0.94 0.00 0.00 134 Q 7.93 4.05 0.00 2.20 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.98 0.00 0.00 0.00 0.00 0.00 2.37 2.58 0.00 135 K 7.91 4.17 0.00 2.09 1.86 0.00 1.55 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.52 7.81 136 K 7.85 4.12 0.00 2.01 1.87 0.00 1.64 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.53 7.81 137 T 7.91 4.01 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 1.25 0.00 0.00 138 E 7.79 4.03 0.00 2.22 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 2.39 2.43 0.00 139 H 8.08 4.41 0.00 3.03 3.21 0.00 5.91 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 0.00 140 H 7.91 4.45 0.00 3.29 3.21 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00