NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6739 8.3001 118.1954 55.1926 32.5843 174.3298 2 A 4.3947 8.5567 122.0441 49.5167 22.0496 171.2621 3 V 4.0323 8.9929 122.7257 61.2074 32.1384 174.3604 4 L 4.1860 8.2139 127.9083 54.2847 42.1495 176.8111 5 E 4.1534 8.4578 122.6018 55.6555 30.2491 176.1528 6 I 4.1740 8.1870 127.4658 60.6316 37.8475 175.5720 7 I 3.9092 9.0335 128.6977 61.3583 37.2513 176.0174 8 K 4.4386 8.4112 126.1855 55.0237 34.2018 176.9021 9 H 4.2455 8.8083 124.1076 54.8390 27.9829 174.1465 10 P 4.7622 0.0000 0.0000 59.7943 31.5003 174.0703 11 N 4.7305 7.3197 114.6844 53.5771 42.3900 174.6877 12 E 4.1625 8.7696 124.7879 59.0306 30.0859 179.5137 13 V 3.7046 7.8546 118.2734 64.4318 31.5470 178.2679 14 L 4.0362 7.5203 118.6132 57.1381 41.4859 177.6157 15 E 4.7670 7.8481 114.5668 55.5641 29.6464 175.5601 16 T 4.3973 7.4700 117.2790 61.6896 68.9060 173.2430 17 P 4.3837 0.0000 0.0000 63.0759 32.0155 176.2399 18 C 4.6122 8.7717 121.4599 59.3504 29.3896 173.5261 19 E 4.3671 8.7276 121.1876 55.8403 30.6514 176.7053 20 R 4.4895 8.3642 120.8460 56.0464 31.1344 176.7460 21 V 3.6441 8.7832 122.7318 62.8726 32.1936 175.5609 22 I 4.2231 8.2432 126.5305 62.3111 38.9850 175.4635 23 N 4.7784 7.7704 117.9360 51.7313 38.8421 175.3589 24 F 4.1774 8.7744 124.0668 55.8869 38.0047 174.4433 25 D 5.1360 7.7637 125.1448 50.6587 42.5700 177.7549 26 K 4.0412 8.5611 117.4602 59.4987 31.7643 179.5301 27 K 3.9603 7.9939 118.7982 59.8727 32.4934 178.8422 28 L 3.8779 8.5427 121.8772 57.8237 41.9345 179.1414 29 V 3.6089 7.6440 117.9353 65.9149 31.4100 177.9918 30 K 3.9422 8.2986 119.5469 59.1143 31.9062 178.3407 31 L 3.9161 8.1426 120.9438 58.2818 41.9867 178.8605 32 L 3.9877 7.9146 118.5776 57.8306 41.4903 179.7652 33 K 3.9655 8.2131 118.2088 59.7657 32.0685 179.1774 34 D 4.3856 8.3605 119.2259 57.5234 40.5931 178.8224 35 M 4.0596 8.3440 119.4839 58.5615 32.0074 178.2332 36 H 4.1447 8.3778 118.3195 59.4210 30.1080 177.2177 37 E 3.9313 7.9563 120.4024 59.6406 29.3826 179.2144 38 T 3.8494 7.9679 115.8229 66.9276 68.5427 176.1199 39 M 3.9773 8.2906 120.0160 58.7266 32.2508 178.2294 40 L 3.9772 7.8406 119.0113 57.9597 41.5675 179.6267 41 I 3.7010 8.1733 118.6936 63.8947 37.0417 177.3115 42 A 4.4235 7.5545 118.8428 51.3466 18.5900 176.7960 43 D 4.3894 8.0308 116.9447 55.8256 38.9186 174.4528 44 G 4.0155 8.3434 107.9199 45.1677 0.0000 174.8317 45 V 4.3504 8.1500 111.0917 61.1759 33.3324 175.4576 46 G 4.4830 7.6439 105.9372 46.1229 0.0000 172.1943 47 L 4.7813 8.6596 119.5459 54.0449 46.1001 173.7043 48 A 5.0585 8.8233 127.9930 49.9019 21.7506 177.2887 49 A 4.0194 8.9597 123.5769 54.8812 18.3549 178.8772 50 P 4.3375 0.0000 0.0000 65.9667 31.2515 178.3274 51 Q 4.2136 8.1948 117.1846 57.4148 28.2310 177.6279 52 V 4.4920 7.7337 113.2803 61.0360 32.1602 176.3846 53 G 3.7853 8.1503 106.5915 45.6625 0.0000 173.9905 54 V 4.1843 7.5187 118.7184 61.0122 33.3843 176.6382 55 S 4.6185 8.3659 128.3705 58.2122 60.9388 173.4435 56 L 5.1251 7.3846 118.6205 52.7944 45.2975 179.4140 57 Q 4.3593 8.4648 121.8354 54.9839 27.2966 174.0119 58 V 4.8492 7.5827 119.9654 60.9582 35.5313 173.8247 59 A 5.2335 9.0368 128.1224 50.9122 23.3764 175.0302 60 V 4.9847 8.9080 118.0132 60.2490 35.3119 174.9315 61 V 4.8860 8.4995 115.0162 60.2950 36.0492 174.7782 62 D 4.9867 9.0705 121.8190 54.4308 42.2017 174.8051 63 V 4.3837 8.4405 117.5749 61.3798 33.7689 176.1122 64 D 4.8844 7.6175 117.9950 52.4509 44.9522 175.9204 65 D 4.2682 8.9093 122.7159 57.7277 40.6687 177.3970 66 D 4.3283 7.8860 116.1851 57.2492 38.9203 177.9093 67 T 3.6594 7.4194 117.4211 64.3438 69.0939 176.6507 68 G 3.8389 8.6296 109.5825 43.7107 0.0000 172.5741 69 K 4.4002 8.1900 117.4714 57.1011 33.7173 177.0332 70 I 4.4437 9.0136 123.1509 59.6742 40.2811 174.2314 71 E 4.8694 8.8008 127.0107 55.5931 30.8244 176.2386 72 L 5.0179 9.4173 123.6829 53.0454 45.3153 175.5072 73 I 4.8627 8.2663 123.9766 60.0869 40.7042 175.6472 74 N 4.5410 9.2427 123.4437 52.2887 36.8078 172.9902 75 P 4.8038 0.0000 0.0000 62.9678 32.5633 176.2142 76 S 4.7442 9.0735 116.3817 56.6900 66.8766 172.9032 77 I 4.4293 8.2866 122.8757 60.7275 36.9788 175.6667 78 L 4.3153 8.8232 128.6515 57.0110 42.5123 176.9373 79 E 4.8563 7.8820 117.3185 54.9416 33.3581 174.0497 80 K 5.3649 8.5205 121.8261 55.1111 36.5795 176.0110 81 R 4.5819 9.1547 121.5619 55.8077 35.0999 176.2650 82 G 4.2436 9.2287 111.0772 45.1630 0.0000 171.6078 83 E 5.3634 8.2566 116.6361 54.7172 33.8672 175.2789 84 Q 4.6760 9.4008 118.9905 54.6736 32.5306 173.7642 85 V 4.8271 8.0345 120.6102 61.3757 34.3872 174.5086 86 G 4.2652 8.3383 112.8033 44.9892 0.0000 170.3502 87 P 5.5199 0.0000 0.0000 62.8801 32.2347 175.8223 88 E 4.8698 9.9117 122.0650 54.8197 34.2166 174.6873 89 G 4.2228 8.3540 108.5299 44.6123 0.0000 171.1133 90 C 4.6780 7.7595 117.4371 57.7338 34.3361 174.7778 91 L 4.0451 8.6364 126.4766 57.3291 41.4978 177.9980 92 S 4.5788 8.1671 113.3654 58.9790 64.0501 173.4922 93 F 5.0780 8.4115 119.4278 54.4643 39.1020 172.8833 94 P 4.2882 0.0000 0.0000 64.7890 31.5770 177.6197 95 G 4.0365 9.0415 110.7053 44.9485 0.0000 172.5238 96 L 4.6773 7.8721 122.6729 53.7085 43.5420 174.5351 97 Y 5.4196 8.7291 122.4124 56.6386 42.4121 174.4089 98 G 4.1927 9.5754 108.9040 44.7489 0.0000 170.9626 99 E 5.0239 8.3436 121.7688 54.7541 31.2204 175.4597 100 V 4.7123 9.1451 126.1096 61.2534 35.4903 173.1053 101 E 5.0703 8.8443 128.4145 55.0090 31.0067 174.8003 102 R 4.8816 8.8227 124.4825 53.8584 35.1063 174.4101 103 A 4.4745 8.6312 121.8625 52.7733 18.8223 177.5025 104 D 4.4957 8.9304 120.6048 56.7798 42.4333 175.3386 105 Y 5.3787 8.5541 120.6564 56.0049 40.9864 173.9697 106 I 4.8684 7.9931 118.4869 58.9470 41.8616 173.5665 107 K 4.6896 8.6140 124.7590 54.5961 34.8834 174.8526 108 V 4.8337 9.2779 127.3550 60.9985 35.0021 173.8590 109 R 5.0066 8.7503 126.8752 54.5992 32.6745 174.4285 110 A 4.6064 7.8948 126.0713 51.2208 23.4858 174.2263 111 Q 4.9728 9.0278 117.4460 54.3656 32.3607 176.4351 112 N 5.3878 8.5898 119.7596 51.4304 39.6854 175.8415 113 R 4.1633 8.7083 116.1454 59.3908 30.0352 177.8843 114 R 4.2869 8.3251 114.5802 55.7529 30.2261 177.2825 115 G 2.5932 7.9770 106.8057 44.6998 0.0000 174.1225 116 K 4.0913 7.6300 119.3664 55.7285 32.9804 175.8042 117 V 4.4761 8.1188 123.1470 62.0571 32.7134 174.7788 118 F 5.1911 8.4993 122.2336 54.9978 41.8658 173.4372 119 L 5.3470 8.7073 117.8603 52.8901 44.3838 176.1660 120 L 4.9295 9.4681 125.0873 53.2738 45.6864 174.7113 121 E 5.0715 8.8961 123.8773 54.6124 32.3468 174.9125 122 A 4.9046 8.6715 124.6805 50.7692 23.3208 174.0830 123 E 5.4796 8.0802 115.5503 55.2986 33.3630 176.4211 124 G 3.9818 8.7499 107.5054 46.5934 0.0000 176.3640 125 F 4.0170 8.9278 121.9001 61.0880 39.3310 176.6529 126 L 3.8001 8.0125 119.3606 57.9998 41.9273 178.6900 127 A 3.9558 7.6978 120.2845 54.7648 18.2365 179.6518 128 R 3.6946 7.7430 117.1324 59.4381 30.1902 178.4614 129 A 3.7519 7.5441 120.6118 55.3007 18.2623 179.6661 130 I 3.6528 7.6612 118.1060 64.6484 37.0983 178.7710 131 Q 3.9916 8.0965 118.9208 59.0197 28.3752 178.1274 132 H 4.0825 8.3506 119.3449 59.4016 29.7688 177.2090 133 E 4.0913 8.3765 120.2291 59.5276 29.3715 179.3062 134 I 3.7520 8.1556 120.2376 64.4539 37.0733 177.8896 135 D 4.4111 8.4472 120.0841 58.0755 40.7176 178.6817 136 H 4.1487 7.9519 116.1699 59.1746 28.7124 177.7290 137 L 4.1684 8.0488 119.8882 56.8666 41.0640 178.1429 138 H 4.6792 8.0323 115.0480 55.1982 28.9550 174.7745 139 G 3.8744 8.1556 107.3432 46.3387 0.0000 173.3577 140 V 4.3449 7.8225 118.6499 60.6135 33.4079 174.9518 141 L 4.7884 8.1358 126.6452 52.9164 43.8256 177.5089 142 F 4.2940 8.8165 116.3124 59.7916 37.6049 177.3622 143 T 3.0087 7.1433 113.7533 65.0161 66.7561 175.3642 144 S 4.3807 7.7128 114.9478 59.7527 62.9680 174.8035 145 K 4.4457 7.5780 119.4409 55.5371 33.1001 176.2871 146 V 3.6526 6.9807 119.0292 63.0022 31.8357 175.7793 147 T 4.1197 9.1871 124.3966 64.8595 67.7143 174.6296 148 R 4.4509 7.1592 115.0561 55.2360 32.4606 173.6609 149 Y 4.5066 8.2311 118.2835 57.2756 39.1519 175.0299 150 Y 4.6187 8.4994 119.8445 57.3488 39.8762 175.9357 151 E 4.2360 8.8185 118.2817 56.7878 30.0446 176.6043 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 M 8.30 4.67 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.62 0.00 2 A 8.56 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 V 8.99 4.03 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 0.84 0.00 0.00 0.93 0.00 0.00 4 L 8.21 4.19 0.00 1.69 1.58 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 5 E 8.46 4.15 0.00 1.92 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 2.27 2.31 0.00 6 I 8.19 4.17 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.65 0.94 0.00 0.00 7 I 9.03 3.91 1.89 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.86 0.00 0.00 8 K 8.41 4.44 0.00 1.55 1.61 0.00 1.73 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.33 1.32 7.81 9 H 8.81 4.25 0.00 2.00 2.14 0.00 5.98 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.76 0.00 2.06 1.92 0.00 3.31 0.00 0.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.87 0.00 11 N 7.32 4.73 0.00 2.86 2.58 0.00 0.00 7.07 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 12 E 8.77 4.16 0.00 2.06 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 2.38 2.28 0.00 13 V 7.85 3.70 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 0.88 0.00 0.00 0.92 0.00 0.00 14 L 7.52 4.04 0.00 1.89 1.87 0.84 0.89 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 15 E 7.85 4.77 0.00 1.99 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 2.34 2.27 0.00 16 T 7.47 4.40 4.40 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 1.21 0.00 0.00 17 P 0.00 4.38 0.00 1.94 2.02 0.00 3.67 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 2.04 2.26 0.00 18 C 8.77 4.61 0.00 2.89 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.73 4.37 0.00 1.88 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 2.30 2.42 0.00 20 R 8.36 4.49 0.00 1.69 1.86 0.00 3.22 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 21 V 8.78 3.64 1.73 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 -0.37 0.00 0.00 0.73 0.00 0.00 22 I 8.24 4.22 1.84 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 1.42 0.74 0.93 0.00 0.00 23 N 7.77 4.78 0.00 2.65 2.76 0.00 0.00 6.90 7.45 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 24 F 8.77 4.18 0.00 3.03 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 25 D 7.76 5.14 0.00 2.87 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 26 K 8.56 4.04 0.00 1.83 1.91 0.00 1.68 0.00 0.00 1.88 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.55 1.51 7.81 27 K 7.99 3.96 0.00 1.96 2.06 0.00 1.55 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.58 7.81 28 L 8.54 3.88 0.00 1.73 1.94 0.84 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 29 V 7.64 3.61 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 1.03 0.00 0.00 1.01 0.00 0.00 30 K 8.30 3.94 0.00 1.87 1.91 0.00 1.70 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.58 1.45 7.81 31 L 8.14 3.92 0.00 1.86 1.87 0.91 0.81 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 32 L 7.91 3.99 0.00 1.90 1.91 1.03 0.99 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 33 K 8.21 3.97 0.00 1.95 1.87 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.61 7.81 34 D 8.36 4.39 0.00 2.81 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 35 M 8.34 4.06 0.00 2.06 2.26 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 2.77 2.55 0.00 36 H 8.38 4.14 0.00 3.18 3.31 0.00 5.59 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 37 E 7.96 3.93 0.00 1.99 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 2.56 2.52 0.00 38 T 7.97 3.85 4.42 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 1.25 0.00 0.00 39 M 8.29 3.98 0.00 2.24 2.08 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.68 0.00 40 L 7.84 3.98 0.00 1.80 1.66 0.76 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.17 3.70 2.04 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 0.91 0.00 0.00 42 A 7.55 4.42 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 43 D 8.03 4.39 0.00 2.86 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 44 G 8.34 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 0.00 0.00 0.00 45 V 8.15 4.35 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 0.90 0.00 0.00 1.05 0.00 0.00 46 G 7.64 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 0.00 0.00 0.00 0.00 47 L 8.66 4.78 0.00 1.76 1.46 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 48 A 8.82 5.06 1.29 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 0.00 0.00 0.00 49 A 8.96 4.02 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 50 P 0.00 4.34 0.00 2.29 2.33 0.00 3.57 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 2.07 2.20 0.00 51 Q 8.19 4.21 0.00 2.25 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.87 0.00 0.00 0.00 0.00 0.00 2.29 2.18 0.00 52 V 7.73 4.49 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 0.67 0.00 0.00 1.01 0.00 0.00 53 G 8.15 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 0.00 0.00 0.00 54 V 7.52 4.18 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 0.85 0.00 0.00 0.91 0.00 0.00 55 S 8.37 4.62 0.00 3.80 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 56 L 7.38 5.13 0.00 1.43 1.46 0.85 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.46 4.36 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.77 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 58 V 7.58 4.85 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 1.02 0.00 0.00 0.88 0.00 0.00 59 A 9.04 5.23 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 60 V 8.91 4.98 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 0.84 0.00 0.00 0.99 0.00 0.00 61 V 8.50 4.89 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 0.65 0.00 0.00 0.94 0.00 0.00 62 D 9.07 4.99 0.00 2.73 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 63 V 8.44 4.38 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 0.86 0.00 0.00 1.05 0.00 0.00 64 D 7.62 4.88 0.00 2.67 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 65 D 8.91 4.27 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 66 D 7.89 4.33 0.00 2.78 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 7.42 3.66 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 1.21 0.00 0.00 68 G 8.63 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 0.00 0.00 0.00 69 K 8.19 4.40 0.00 1.72 1.74 0.00 1.57 0.00 0.00 1.30 0.00 0.00 2.53 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 1.42 7.81 70 I 9.01 4.44 1.89 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 1.18 1.08 0.94 0.00 0.00 71 E 8.80 4.87 0.00 1.92 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 2.31 2.34 0.00 72 L 9.42 5.02 0.00 1.56 1.59 0.97 0.86 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 73 I 8.27 4.86 2.24 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.81 0.95 0.00 0.00 74 N 9.24 4.54 0.00 2.95 2.87 0.00 0.00 6.98 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 75 P 0.00 4.80 0.00 2.07 2.04 0.00 3.71 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 2.01 1.98 0.00 76 S 9.07 4.74 0.00 3.82 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 77 I 8.29 4.43 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.55 0.96 0.00 0.00 78 L 8.82 4.32 0.00 1.53 1.73 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 79 E 7.88 4.86 0.00 2.08 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 80 K 8.52 5.36 0.00 1.65 1.67 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.70 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.33 1.46 7.81 81 R 9.15 4.58 0.00 1.75 1.75 0.00 3.36 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 82 G 9.23 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 0.00 0.00 0.00 83 E 8.26 5.36 0.00 1.81 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.31 0.00 84 Q 9.40 4.68 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.53 2.33 0.00 85 V 8.03 4.83 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 0.86 0.00 0.00 0.95 0.00 0.00 86 G 8.34 4.27 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 0.00 87 P 0.00 5.52 0.00 2.12 1.91 0.00 3.80 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.94 0.00 88 E 9.91 4.87 0.00 2.03 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 0.00 2.26 2.35 0.00 89 G 8.35 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 C 7.76 4.68 0.00 2.37 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 91 L 8.64 4.05 0.00 1.69 1.73 0.93 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 92 S 8.17 4.58 0.00 4.00 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 93 F 8.41 5.08 0.00 3.22 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 94 P 0.00 4.29 0.00 2.20 2.12 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 95 G 9.04 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 L 7.87 4.68 0.00 1.83 1.86 0.66 0.53 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 97 Y 8.73 5.42 0.00 3.29 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 98 G 9.58 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 0.00 0.00 0.00 99 E 8.34 5.02 0.00 1.82 1.59 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 2.26 2.18 0.00 100 V 9.15 4.71 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 0.97 0.00 0.00 1.13 0.00 0.00 101 E 8.84 5.07 0.00 2.01 1.82 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 2.22 2.33 0.00 102 R 8.82 4.88 0.00 1.73 2.02 0.00 3.34 0.00 0.00 3.18 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.71 0.00 103 A 8.63 4.47 1.29 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 0.00 0.00 0.00 104 D 8.93 4.50 0.00 2.95 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 0.00 105 Y 8.55 5.38 0.00 3.10 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 0.00 106 I 7.99 4.87 1.73 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.77 0.85 0.00 0.00 107 K 8.61 4.69 0.00 1.89 1.68 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.32 1.37 7.81 108 V 9.28 4.83 2.10 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 0.77 0.00 0.00 0.89 0.00 0.00 109 R 8.75 5.01 0.00 1.84 1.67 0.00 3.12 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.45 0.00 110 A 7.89 4.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 Q 9.03 4.97 0.00 2.16 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.55 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 112 N 8.59 5.39 0.00 3.08 3.27 0.00 0.00 7.10 7.79 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 0.00 113 R 8.71 4.16 0.00 1.89 2.16 0.00 3.23 0.00 0.00 3.27 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.83 0.00 114 R 8.33 4.29 0.00 1.86 1.92 0.00 3.20 0.00 0.00 3.24 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 115 G 7.98 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 0.00 0.00 0.00 116 K 7.63 4.09 0.00 1.83 1.73 0.00 1.61 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.46 1.35 7.81 117 V 8.12 4.48 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 0.74 0.00 0.00 0.84 0.00 0.00 118 F 8.50 5.19 0.00 3.06 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 0.00 119 L 8.71 5.35 0.00 1.58 1.64 0.95 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 120 L 9.47 4.93 0.00 1.85 1.61 0.92 0.86 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 0.00 121 E 8.90 5.07 0.00 1.91 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 2.25 2.33 0.00 122 A 8.67 4.90 1.12 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 0.00 123 E 8.08 5.48 0.00 2.11 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 0.00 2.33 2.22 0.00 124 G 8.75 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 8.93 4.02 0.00 3.22 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 0.00 126 L 8.01 3.80 0.00 1.83 1.66 0.91 1.05 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 0.00 127 A 7.70 3.96 1.35 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 0.00 0.00 0.00 0.00 0.00 0.00 128 R 7.74 3.69 0.00 1.82 1.78 0.00 3.12 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.69 0.00 129 A 7.54 3.75 1.08 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 0.00 0.00 130 I 7.66 3.65 1.82 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 1.51 0.75 0.90 0.00 0.00 131 Q 8.10 3.99 0.00 2.23 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 132 H 8.35 4.08 0.00 3.29 3.44 0.00 5.78 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 0.00 133 E 8.38 4.09 0.00 2.19 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 2.57 2.52 0.00 134 I 8.16 3.75 1.89 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.97 0.00 0.00 135 D 8.45 4.41 0.00 2.96 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 0.00 136 H 7.95 4.15 0.00 3.41 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.05 4.17 0.00 1.78 1.61 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 138 H 8.03 4.68 0.00 3.13 3.31 0.00 5.74 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 G 8.16 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 0.00 0.00 0.00 140 V 7.82 4.34 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 0.86 0.00 0.00 1.00 0.00 0.00 141 L 8.14 4.79 0.00 1.82 1.79 1.23 1.32 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 0.00 142 F 8.82 4.29 0.00 3.30 3.12 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 0.00 143 T 7.14 3.01 3.50 0.00 0.00 0.00 0.00 0.00 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 0.00 144 S 7.71 4.38 0.00 3.99 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 0.00 145 K 7.58 4.45 0.00 1.76 1.75 0.00 1.82 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.32 1.29 7.81 146 V 6.98 3.65 1.46 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 -0.27 0.00 0.00 0.40 0.00 0.00 147 T 9.19 4.12 4.26 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 1.23 0.00 0.00 148 R 7.16 4.45 0.00 1.72 1.83 0.00 2.93 0.00 0.00 3.27 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 0.00 149 Y 8.23 4.51 0.00 2.88 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 0.00 150 Y 8.50 4.62 0.00 3.19 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 0.00 151 E 8.82 4.24 0.00 2.14 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 2.38 2.38 0.00