NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.1704 8.2649 123.5860 52.9499 18.7642 179.4545 2 P 3.4504 0.0000 0.0000 61.8303 32.9321 170.1580 3 V 4.4004 8.1969 118.4430 59.8400 34.3797 175.1315 4 R 4.6106 8.4799 123.2296 55.6925 31.9107 175.5350 5 S 5.7215 8.5578 117.4516 57.7950 67.9005 172.8619 6 L 4.7811 9.0508 119.6879 54.9305 43.8902 174.7408 7 N 5.2874 8.9527 119.4273 53.4742 40.4580 173.6860 8 C 5.2410 8.5735 116.1040 58.2785 33.6502 172.2918 9 T 5.1640 8.9103 109.2130 59.9000 71.8216 172.8779 10 L 5.4305 8.5479 120.9165 53.2763 45.6192 176.3067 11 R 5.0719 9.0893 120.0325 54.5653 34.7956 174.8771 12 D 4.6268 8.8961 123.5196 52.6176 40.7225 177.4789 13 S 4.2046 8.1970 113.6419 60.4156 62.4991 174.9722 14 Q 4.3042 8.6478 120.4931 55.5407 28.7145 176.3681 15 Q 3.7936 8.5517 116.0336 56.4848 26.8832 173.4198 16 K 4.2858 7.6259 118.6059 56.3459 33.3794 176.7038 17 S 4.9800 9.1274 120.5358 57.4949 65.4831 172.9060 18 L 5.2395 8.3384 121.3947 53.5983 43.8875 176.0896 19 V 4.7391 8.6144 115.2186 59.5813 36.7327 174.5654 20 M 4.1643 8.4822 122.6153 56.7759 31.8312 175.1867 21 S 4.0305 9.8741 122.7262 59.7197 62.6043 177.3604 22 G 4.0630 5.9684 117.3359 45.0349 0.0000 172.5569 23 P 4.1646 0.0000 0.0000 64.4808 31.9179 176.6214 24 Y 4.9134 7.6283 114.5906 57.1615 39.3258 174.1995 25 E 4.8664 7.9361 119.6936 54.7062 33.7038 173.7234 26 L 5.2787 8.5991 123.9966 53.0709 45.1293 175.4742 27 K 5.2061 9.3700 120.3425 54.6741 36.8915 174.9186 28 A 5.4042 9.0014 124.6048 50.4134 21.8079 175.5729 29 L 4.6607 8.7656 120.2928 54.8145 44.4595 174.0075 30 H 4.6585 9.9234 119.4645 55.8907 28.8607 175.0608 31 L 4.8113 8.4081 124.4404 53.4684 44.9510 174.8314 32 Q 4.5739 8.4181 123.3292 55.8768 33.2786 175.5459 33 G 3.9942 8.5816 112.7327 47.1337 0.0000 178.1473 34 Q 4.1164 8.6578 121.1882 57.6535 28.3372 176.8752 35 D 4.5596 7.8627 115.8858 57.5861 40.5829 178.0641 36 M 4.1395 8.0928 120.8438 58.7753 31.8806 177.6854 37 E 4.4131 7.4644 114.7077 58.7841 30.2971 182.5034 38 Q 4.3892 8.1430 117.3941 57.1451 29.3417 176.3184 39 Q 4.3532 6.9624 118.7552 55.6689 29.4709 175.8710 40 V 3.6062 8.1290 120.7054 62.6977 32.5344 175.3751 41 V 4.2541 7.9393 127.4837 61.3595 33.2214 175.2538 42 F 4.6040 8.7414 127.3000 56.9911 40.8556 174.9778 43 S 4.9380 9.1754 114.7575 56.6595 64.1501 171.6067 44 M 4.6399 9.0881 127.5217 55.1236 33.3029 174.7036 45 S 5.1664 9.0180 122.8653 56.9946 65.8334 173.7707 46 F 4.6764 9.0915 124.0522 56.7788 38.2332 175.9285 47 V 4.3622 7.9708 119.4780 60.4740 33.8196 175.9607 48 Q 4.3308 8.8471 122.6863 54.8514 28.7887 173.2156 49 G 3.7477 8.0912 112.2371 45.6462 0.0000 172.1526 50 E 4.0678 8.6736 116.3190 55.8466 29.3600 171.5895 51 E 4.8476 8.4919 125.5170 53.8463 31.3390 174.5604 52 S 4.6567 8.4076 119.6404 57.3144 65.9213 175.1218 53 N 4.3351 8.7292 119.1761 54.1345 37.6570 173.9367 54 D 4.9458 8.0411 113.4513 53.2588 41.6929 175.3257 55 K 5.0159 8.0464 120.8659 54.9106 34.0903 173.7486 56 I 4.8997 8.7068 128.3232 58.5419 39.9183 173.3853 57 P 4.9646 0.0000 0.0000 62.9735 32.9321 175.6106 58 V 4.8928 9.3845 115.0604 60.0708 37.0625 173.5792 59 A 5.3115 8.8968 122.7206 50.3071 22.3329 175.3222 60 L 4.7996 8.9412 121.6586 53.2029 44.0094 175.8596 61 G 3.9195 8.4581 110.6023 43.8447 0.0000 170.7977 62 L 4.5378 7.8301 119.6551 52.8181 43.4341 176.9993 63 K 3.9055 8.5378 124.6898 57.9769 32.3046 176.5208 64 E 3.8269 9.0002 123.6146 56.6557 27.1983 173.9906 65 K 4.5688 7.6889 117.9832 54.4848 35.6591 176.4304 66 N 4.8112 8.4066 121.3192 52.8297 36.3970 174.5910 67 L 5.3843 7.2578 118.1744 53.9770 46.1879 177.0219 68 Y 5.1380 9.1291 120.3279 55.8258 42.3103 174.8736 69 L 4.7750 8.9768 123.4726 55.1641 42.4935 176.6060 70 S 5.0112 9.8956 117.4327 56.8876 66.5744 172.1073 71 C 5.3762 8.8206 123.2582 58.2986 29.6747 173.8053 72 V 4.6751 9.0842 116.5309 59.4108 36.3946 174.5355 73 L 4.3562 8.6461 125.4604 55.0847 42.0749 177.5950 74 K 4.2791 8.8770 125.4102 53.5728 34.5393 172.3984 75 D 4.8463 8.9780 125.6915 54.9977 38.8710 172.8682 76 D 4.3731 8.3138 113.4750 55.0287 38.8899 174.9675 77 K 4.3647 7.3287 119.9042 52.9983 36.6754 176.1447 78 P 3.6985 0.0000 0.0000 62.3127 31.6343 175.9707 79 T 4.7106 8.9250 120.4038 61.6576 72.9477 172.9202 80 L 5.0383 8.6210 127.0727 54.8169 43.5400 175.3530 81 Q 4.7198 8.8759 120.8977 55.6242 32.3766 172.5331 82 L 5.0749 8.6604 120.3495 53.8660 43.0961 175.8438 83 E 4.8225 9.4625 124.2031 54.4881 33.1965 174.7343 84 S 5.2056 8.7433 121.4718 58.2848 64.1817 173.6305 85 V 4.5329 8.2486 115.6800 59.1146 36.4168 174.8361 86 D 4.4476 8.7467 121.4469 53.7420 41.1196 175.1480 87 P 4.3986 0.0000 0.0000 66.0576 31.3426 178.2217 88 K 4.2206 9.1069 120.2795 56.3942 31.8722 181.9951 89 N 4.7537 8.0464 112.3515 53.4453 38.9534 174.2805 90 Y 4.5428 7.5422 115.2906 55.1520 41.5716 173.3808 91 P 4.8033 0.0000 0.0000 62.0238 32.9186 175.0084 92 K 4.5819 7.9758 118.3015 55.4173 35.5959 177.1392 93 K 4.0857 8.6779 121.2980 56.8378 31.8222 177.2152 94 K 4.4954 7.5931 120.6537 54.9119 31.1312 175.1092 95 M 4.5103 7.9236 122.7944 53.6352 33.5681 176.3502 96 E 4.2133 8.8121 120.1862 55.9775 30.7191 178.1106 97 K 3.7248 8.7280 123.1601 59.5725 32.4014 179.0820 98 R 3.7624 7.6351 114.3686 58.2517 29.4712 177.7646 99 F 4.7754 7.7269 116.1464 58.1605 39.6496 175.5870 100 V 4.3222 7.3466 122.3977 61.9607 32.7231 174.7053 101 F 5.1639 9.4189 126.6405 55.7269 42.6441 174.1962 102 N 5.1647 9.7542 121.5866 52.0204 39.9622 174.2972 103 K 4.2309 9.9074 128.0153 55.9326 33.7814 175.4366 104 I 4.8574 8.4017 129.1543 59.5631 39.7180 174.7306 105 E 4.6192 8.9142 128.1273 54.4336 29.6369 176.4649 106 I 4.4153 8.8407 122.7330 60.7710 37.6387 177.7968 107 N 3.5629 9.1423 112.1560 56.3838 36.6111 174.2710 108 N 5.1205 8.9218 108.8490 52.1043 40.8973 176.4174 109 K 4.9153 7.8639 118.1262 55.8761 35.5115 174.9733 110 L 5.5666 8.7813 120.8173 52.4583 45.3899 175.6872 111 E 5.1729 8.0676 118.5165 54.8578 34.4719 174.5797 112 F 5.1664 9.1063 121.1810 55.9847 41.8931 173.4648 113 E 4.8887 8.9354 125.7063 54.1194 31.7681 175.1023 114 S 4.1819 8.9291 122.0155 58.3630 62.4922 174.0498 115 A 3.9974 8.4969 129.5922 55.1318 18.2524 178.8425 116 Q 3.4930 7.9042 115.4562 58.2782 29.3272 175.9878 117 F 4.6475 7.8499 119.0825 54.2874 39.7519 172.3275 118 P 4.5078 0.0000 0.0000 64.3212 31.6071 176.5653 119 N 4.3122 9.5931 118.3485 53.4760 36.8137 173.6625 120 W 4.8398 7.9439 119.0958 55.2102 31.4727 174.8045 121 Y 5.4145 8.9354 121.2628 55.8396 41.8788 174.9801 122 I 4.2888 8.9230 123.5382 61.8732 37.6577 175.8517 123 S 5.1322 9.3261 122.3789 57.0073 67.6650 172.7974 124 T 5.1762 8.6454 110.6614 60.2103 72.4016 172.9267 125 S 5.0110 8.7319 116.5516 57.1461 63.6123 174.1233 126 Q 4.0823 8.7625 122.3093 58.6308 28.8134 177.4212 127 A 4.2213 7.6840 119.2243 51.5821 18.2014 176.4675 128 E 4.0931 8.5296 120.9541 57.0355 30.4324 176.4988 129 N 4.4071 8.6538 121.8542 54.8171 38.2293 173.7403 130 M 4.6199 7.1966 115.9559 52.8695 34.3905 173.9728 131 P 4.9844 0.0000 0.0000 62.4956 32.4251 176.6200 132 V 4.3136 8.6990 124.0518 63.1444 32.4542 175.0131 133 F 5.0479 8.9913 121.6222 55.6525 42.2904 172.5849 134 L 4.9648 8.9200 121.1866 54.0401 42.5292 175.4781 135 G 4.2793 9.0811 114.8882 44.4583 0.0000 173.4286 136 G 2.3924 7.8593 111.8580 44.5435 0.0000 173.4272 137 T 4.4999 7.1652 108.7501 59.4793 71.5879 173.5153 138 K 4.2272 8.4553 122.9899 54.8593 34.3471 176.8627 139 G 3.9503 8.4754 103.5682 46.2356 0.0000 173.6838 140 G 3.8906 7.3255 113.7209 45.5734 0.0000 171.1396 141 Q 4.0961 8.8445 118.5490 58.8556 29.0891 176.7716 142 D 4.7334 7.8169 115.8133 53.6238 42.1138 175.5303 143 I 4.1819 8.5337 123.6242 60.4312 37.9928 176.6870 144 T 4.6943 8.3254 114.0583 61.0455 70.3773 173.3333 145 D 5.8500 7.3018 121.6878 51.3038 42.8502 174.9262 146 F 5.3864 8.5851 117.3648 56.6951 44.3369 172.9539 147 T 5.0841 9.4110 109.1686 60.3527 72.0910 172.6702 148 M 5.2610 8.6577 121.3497 53.9482 35.6153 174.5468 149 Q 4.6998 8.8348 122.5046 54.0728 32.6238 174.9945 150 F 4.8878 9.1500 122.1678 57.4873 40.4331 175.3047 151 V 4.7403 8.4483 114.0230 59.2883 35.1106 177.0738 152 S 4.0982 9.0145 118.4314 59.8754 62.8728 174.4743 153 S 4.2878 7.5912 118.5818 58.5796 63.6330 168.6654 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 A 8.26 4.17 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 2 P 0.00 3.45 0.00 2.19 2.19 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 3 V 8.20 4.40 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 0.82 0.00 0.00 1.01 0.00 0.00 4 R 8.48 4.61 0.00 1.91 1.96 0.00 3.07 0.00 0.00 3.33 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 5 S 8.56 5.72 0.00 3.80 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 6 L 9.05 4.78 0.00 1.95 1.92 1.09 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.95 5.29 0.00 2.89 2.80 0.00 0.00 6.67 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 8 C 8.57 5.24 0.00 2.90 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 9 T 8.91 5.16 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 1.28 0.00 0.00 10 L 8.55 5.43 0.00 1.48 1.52 -0.10 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 11 R 9.09 5.07 0.00 1.92 1.80 0.00 3.31 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.62 0.00 12 D 8.90 4.63 0.00 2.28 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 S 8.20 4.20 0.00 3.95 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 14 Q 8.65 4.30 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.81 6.00 0.00 0.00 0.00 0.00 0.00 2.27 2.45 0.00 15 Q 8.55 3.79 0.00 2.22 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.71 6.85 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 16 K 7.63 4.29 0.00 2.12 1.73 0.00 1.52 0.00 0.00 1.53 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.81 1.21 7.81 17 S 9.13 4.98 0.00 3.75 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 18 L 8.34 5.24 0.00 1.67 1.64 1.02 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 19 V 8.61 4.74 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.99 0.00 0.00 20 M 8.48 4.16 0.00 1.82 1.95 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.36 0.00 21 S 9.87 4.03 0.00 3.79 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 22 G 5.97 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.16 0.00 1.07 1.84 0.00 3.70 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 1.95 1.90 0.00 24 Y 7.63 4.91 0.00 3.04 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 0.00 25 E 7.94 4.87 0.00 2.05 1.75 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 2.33 2.41 0.00 26 L 8.60 5.28 0.00 1.68 1.58 1.05 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.37 5.21 0.00 1.62 1.72 0.00 1.82 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.39 7.81 28 A 9.00 5.40 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 29 L 8.77 4.66 0.00 1.84 1.74 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 30 H 9.92 4.66 0.00 3.27 3.33 0.00 5.79 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.41 4.81 0.00 1.70 1.48 0.93 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.42 4.57 0.00 2.09 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.55 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 33 G 8.58 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 0.00 0.00 0.00 34 Q 8.66 4.12 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.85 0.00 0.00 0.00 0.00 0.00 2.36 1.96 0.00 35 D 7.86 4.56 0.00 2.90 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 36 M 8.09 4.14 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 37 E 7.46 4.41 0.00 2.18 1.83 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 2.23 2.21 0.00 38 Q 8.14 4.39 0.00 2.02 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 39 Q 6.96 4.35 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.44 2.26 0.00 40 V 8.13 3.61 1.74 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 -0.07 0.00 0.00 0.83 0.00 0.00 41 V 7.94 4.25 1.96 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 0.89 0.00 0.00 0.87 0.00 0.00 42 F 8.74 4.60 0.00 3.00 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 43 S 9.18 4.94 0.00 3.83 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 44 M 9.09 4.64 0.00 2.10 1.83 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 1.95 0.00 45 S 9.02 5.17 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 46 F 9.09 4.68 0.00 3.03 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 47 V 7.97 4.36 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 0.67 0.00 0.00 1.01 0.00 0.00 48 Q 8.85 4.33 0.00 1.82 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 49 G 8.09 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 50 E 8.67 4.07 0.00 2.00 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 2.23 1.86 0.00 51 E 8.49 4.85 0.00 1.95 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 2.24 2.32 0.00 52 S 8.41 4.66 0.00 3.86 3.66 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 53 N 8.73 4.34 0.00 2.78 2.72 0.00 0.00 6.42 8.06 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 54 D 8.04 4.95 0.00 2.67 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 55 K 8.05 5.02 0.00 1.85 1.72 0.00 1.62 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.41 7.81 56 I 8.71 4.90 2.02 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 1.36 1.18 1.16 0.00 0.00 57 P 0.00 4.96 0.00 2.16 2.20 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 58 V 9.38 4.89 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 0.34 0.00 0.00 1.16 0.00 0.00 59 A 8.90 5.31 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.94 4.80 0.00 1.32 1.19 -0.29 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.46 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 0.00 0.00 0.00 62 L 7.83 4.54 0.00 1.45 1.35 0.73 0.43 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 63 K 8.54 3.91 0.00 1.70 1.65 0.00 1.92 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.40 7.81 64 E 9.00 3.83 0.00 2.11 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 2.19 2.29 0.00 65 K 7.69 4.57 0.00 1.56 1.56 0.00 1.56 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.27 1.37 7.81 66 N 8.41 4.81 0.00 2.99 3.04 0.00 0.00 6.00 6.67 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 67 L 7.26 5.38 0.00 1.44 1.54 0.83 0.98 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 68 Y 9.13 5.14 0.00 2.72 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 69 L 8.98 4.77 0.00 1.62 1.72 0.54 1.03 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 70 S 9.90 5.01 0.00 3.96 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 71 C 8.82 5.38 0.00 2.81 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 72 V 9.08 4.68 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.02 0.00 0.00 73 L 8.65 4.36 0.00 1.51 1.53 0.94 0.48 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 74 K 8.88 4.28 0.00 1.57 1.63 0.00 1.92 0.00 0.00 1.57 0.00 0.00 2.77 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.26 1.22 7.81 75 D 8.98 4.85 0.00 2.75 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.31 4.37 0.00 2.82 2.69 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 77 K 7.33 4.36 0.00 1.37 1.61 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.28 1.29 7.81 78 P 0.00 3.70 0.00 0.49 0.49 0.00 2.65 0.00 0.00 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.50 0.00 79 T 8.92 4.71 4.33 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 1.23 0.00 0.00 80 L 8.62 5.04 0.00 1.77 1.68 1.12 0.79 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 81 Q 8.88 4.72 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.65 0.00 0.00 0.00 0.00 0.00 2.39 2.35 0.00 82 L 8.66 5.07 0.00 1.90 1.90 1.05 0.93 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 83 E 9.46 4.82 0.00 2.09 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 2.37 2.31 0.00 84 S 8.74 5.21 0.00 3.85 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 V 8.25 4.53 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 0.84 0.00 0.00 86 D 8.75 4.45 0.00 2.80 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.40 0.00 2.26 2.23 0.00 3.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 88 K 9.11 4.22 0.00 1.76 1.76 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.28 7.81 89 N 8.05 4.75 0.00 2.58 2.62 0.00 0.00 6.78 6.92 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 90 Y 7.54 4.54 0.00 2.96 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 91 P 0.00 4.80 0.00 2.23 2.26 0.00 3.80 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 2.05 2.08 0.00 92 K 7.98 4.58 0.00 1.66 1.61 0.00 1.24 0.00 0.00 0.97 0.00 0.00 3.09 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.97 1.33 7.81 93 K 8.68 4.09 0.00 1.70 1.86 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.00 7.81 94 K 7.59 4.50 0.00 1.65 1.72 0.00 1.62 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.32 1.48 7.81 95 M 7.92 4.51 0.00 2.18 2.04 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.69 0.00 96 E 8.81 4.21 0.00 2.18 1.83 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 2.51 2.43 0.00 97 K 8.73 3.72 0.00 1.72 1.73 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.33 7.81 98 R 7.64 3.76 0.00 1.96 1.90 0.00 2.66 0.00 0.00 3.03 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.54 0.00 99 F 7.73 4.78 0.00 3.21 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 0.00 100 V 7.35 4.32 2.08 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 1.01 0.00 0.00 1.00 0.00 0.00 101 F 9.42 5.16 0.00 3.17 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 N 9.75 5.16 0.00 2.62 2.79 0.00 0.00 6.59 6.91 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 0.00 103 K 9.91 4.23 0.00 1.73 1.78 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.25 0.87 7.81 104 I 8.40 4.86 1.85 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 1.26 1.27 0.92 0.00 0.00 105 E 8.91 4.62 0.00 1.87 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 2.33 2.25 0.00 106 I 8.84 4.42 1.84 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 1.11 0.66 0.88 0.00 0.00 107 N 9.14 3.56 0.00 2.76 2.55 0.00 0.00 6.14 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 0.00 108 N 8.92 5.12 0.00 2.67 2.63 0.00 0.00 6.48 7.44 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 0.00 109 K 7.86 4.92 0.00 1.63 1.81 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.36 7.81 110 L 8.78 5.57 0.00 1.57 1.07 0.97 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.07 5.17 0.00 1.86 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 2.42 2.27 0.00 112 F 9.11 5.17 0.00 2.80 2.85 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 0.00 113 E 8.94 4.89 0.00 2.03 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 0.00 2.05 1.47 0.00 114 S 8.93 4.18 0.00 3.99 4.06 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 0.00 0.00 0.00 115 A 8.50 4.00 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 0.00 0.00 0.00 0.00 0.00 116 Q 7.90 3.49 0.00 1.56 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.94 0.00 0.00 0.00 0.00 0.00 1.42 1.18 0.00 117 F 7.85 4.65 0.00 3.01 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 0.00 118 P 0.00 4.51 0.00 2.11 2.04 0.00 3.82 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 119 N 9.59 4.31 0.00 2.89 3.04 0.00 0.00 6.88 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 0.00 120 W 7.94 4.84 0.00 3.51 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 0.00 121 Y 8.94 5.41 0.00 2.93 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 0.00 122 I 8.92 4.29 1.83 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.38 0.70 0.00 0.00 123 S 9.33 5.13 0.00 2.72 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.65 5.18 4.33 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 1.36 0.00 0.00 125 S 8.73 5.01 0.00 4.04 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 Q 8.76 4.08 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.53 2.31 0.00 127 A 7.68 4.22 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 0.00 128 E 8.53 4.09 0.00 2.10 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.39 0.00 129 N 8.65 4.41 0.00 2.91 2.90 0.00 0.00 7.13 6.95 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 0.00 130 M 7.20 4.62 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.83 0.00 131 P 0.00 4.98 0.00 2.04 2.05 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 132 V 8.70 4.31 2.17 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 0.80 0.00 0.00 1.03 0.00 0.00 133 F 8.99 5.05 0.00 3.22 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 8.92 4.96 0.00 1.83 1.89 1.19 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.08 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 0.00 0.00 0.00 0.00 136 G 7.86 2.39 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 0.00 137 T 7.17 4.50 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 138 K 8.46 4.23 0.00 1.62 1.61 0.00 1.07 0.00 0.00 0.96 0.00 0.00 2.70 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.95 0.77 7.81 139 G 8.48 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 0.00 0.00 0.00 140 G 7.33 3.89 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 0.00 0.00 0.00 141 Q 8.84 4.10 0.00 2.06 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.91 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 142 D 7.82 4.73 0.00 2.76 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 0.00 143 I 8.53 4.18 1.86 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.60 0.63 0.00 0.00 144 T 8.33 4.69 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 1.10 0.00 0.00 145 D 7.30 5.85 0.00 2.74 2.85 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 0.00 146 F 8.59 5.39 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 0.00 147 T 9.41 5.08 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 0.00 148 M 8.66 5.26 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.90 0.00 149 Q 8.83 4.70 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 150 F 9.15 4.89 0.00 2.94 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 0.00 151 V 8.45 4.74 2.12 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 0.87 0.00 0.00 1.01 0.00 0.00 152 S 9.01 4.10 0.00 3.99 4.06 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 0.00 0.00 0.00 153 S 7.59 4.29 0.00 4.16 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