NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4596 8.3044 120.3296 54.5036 33.4838 174.2953 2 F 3.9639 8.7319 121.4752 58.6603 39.4941 173.0002 3 K 4.0022 7.1617 126.5681 53.8394 36.5359 173.9143 4 P 4.3314 0.0000 0.0000 62.5198 32.9356 175.5155 5 H 4.5427 8.9796 118.3400 55.6335 30.2370 174.6358 6 V 5.2274 8.6002 122.1839 61.5062 34.1210 174.3743 7 T 5.4177 9.1983 116.9465 60.1552 72.6733 173.0443 8 V 5.3382 8.9753 114.7942 59.9709 36.0122 174.6340 9 A 5.2820 9.4594 123.8140 50.8256 23.1581 174.7643 10 C 5.4694 8.6654 116.6996 58.0114 31.6167 174.1811 11 V 4.1094 8.9959 124.3352 62.0253 32.4793 174.5528 12 V 4.9140 8.4077 128.5064 61.4706 33.8975 173.6634 13 H 5.3394 9.2616 126.9139 54.3899 33.0383 171.8288 14 A 4.4979 9.1130 126.0474 51.1846 22.8510 175.8108 15 E 3.4645 9.4036 119.9262 57.4923 27.0567 175.8055 16 G 3.8734 7.8688 100.9775 45.9018 0.0000 172.7045 17 K 4.8565 7.6258 117.9688 54.2740 37.0960 175.1010 18 F 5.3431 9.3367 120.7976 55.4051 41.9452 174.7135 19 L 3.6360 8.7293 127.1960 54.6547 42.4779 176.5170 20 V 4.5116 8.2483 125.0281 59.9843 35.2281 174.5351 21 V 4.5768 9.0207 116.6236 59.6675 34.6483 174.4641 22 E 5.1391 8.8065 124.3516 55.3490 31.0370 174.9815 23 E 5.2566 9.7721 125.1505 53.5545 33.7921 174.1015 24 T 4.8866 8.5225 120.4035 63.7094 70.3046 171.9451 25 I 3.9624 9.0013 126.3234 61.7529 38.7250 177.1552 26 N 4.5346 9.1041 127.5626 53.4723 38.5617 174.7828 27 G 3.8807 7.9721 103.0588 46.0725 0.0000 172.1203 28 K 4.7296 7.4220 117.3529 54.0920 35.9263 175.2644 29 A 4.8174 8.4929 124.4257 51.2577 19.4758 176.6430 30 L 4.9744 9.4255 123.7159 53.2055 44.9653 176.0745 31 W 5.3590 9.2754 123.5824 56.0933 30.9342 174.9944 32 N 5.2632 9.0124 121.1639 51.9499 42.6632 173.5436 33 Q 4.4181 8.5637 120.5891 54.9523 30.6361 174.0755 34 P 4.5566 0.0000 0.0000 63.4942 32.1588 175.3190 35 A 5.1142 8.7350 125.5560 50.7637 22.7780 174.8628 36 G 4.1612 8.6053 105.6161 47.1955 0.0000 171.5492 37 H 5.5137 8.9548 116.6216 53.5706 30.7789 175.0739 38 L 4.2192 8.7718 125.3172 55.3515 42.6804 175.9418 39 E 4.7133 8.9263 124.4615 53.6406 32.5707 175.4012 40 A 3.8505 8.8198 122.2896 54.7827 19.0645 178.1594 41 D 4.4104 8.1379 119.9056 54.6842 38.2942 173.7874 42 E 4.8745 7.7919 121.1383 54.7917 33.5861 174.9623 43 T 3.9293 8.1960 118.4324 60.6464 69.8182 175.7710 44 L 3.8616 7.9716 125.4724 58.2981 41.6463 180.4159 45 V 3.0624 7.4490 111.4224 64.2321 31.4223 178.3784 46 E 3.8553 7.9358 117.7092 59.1890 29.2800 179.0722 47 A 4.0677 8.0525 120.7900 54.7385 18.4625 179.4857 48 A 3.9122 7.8741 119.1337 55.3444 18.4053 179.6436 49 A 3.9351 8.0604 119.4636 55.2440 18.4155 179.7167 50 R 3.9054 8.4190 117.4706 59.6789 30.1083 178.2885 51 E 3.9821 8.8129 118.5516 59.4994 29.5884 178.9443 52 L 3.9593 8.4639 120.3482 58.0962 41.9907 178.7879 53 W 4.8355 8.3350 129.3001 60.2840 30.5233 177.7727 54 E 3.8343 8.8106 117.0910 58.5659 29.0313 178.1435 55 E 4.6124 8.1999 116.8000 55.9940 31.3332 177.2758 56 T 4.1801 7.8736 107.2886 60.1332 70.5673 175.9512 57 G 3.0449 7.9096 109.9431 44.7971 0.0000 173.6568 58 I 4.0323 7.4254 114.2864 60.1651 38.5464 175.2971 59 S 4.9577 8.6342 117.3650 56.8928 63.6645 173.1743 60 A 4.6932 8.1624 126.8017 50.6965 21.9535 175.3895 61 Q 4.3041 8.4127 120.1714 54.2869 29.8951 174.5825 62 P 4.4146 0.0000 0.0000 63.5546 32.0696 175.6134 63 Q 4.5591 8.8277 119.5523 57.6109 30.3636 175.5094 64 H 5.2534 8.1936 113.6155 54.0478 34.0752 171.5094 65 F 5.2884 9.6068 122.5701 57.3440 40.5035 176.3535 66 I 3.8045 8.3325 127.5192 61.8732 37.8712 176.4495 67 R 4.1856 5.8400 125.4701 56.1047 32.7131 172.2623 68 M 4.9964 8.1750 123.4821 54.0196 34.7050 174.2679 69 H 4.9039 8.8071 122.5590 54.0489 31.6681 172.9624 70 Q 5.3271 8.6432 124.3606 54.3064 30.5063 174.4077 71 W 5.1992 9.2479 121.9841 55.6477 32.0934 173.2354 72 I 4.5191 8.2654 122.0465 59.1490 38.5558 175.7591 73 A 3.5594 8.3598 130.6128 50.9359 18.8947 176.3718 74 P 4.3520 0.0000 0.0000 65.6189 31.4836 177.3036 75 D 4.5778 8.0240 115.0660 52.9994 39.3376 176.7657 76 K 3.8244 8.2827 117.3148 57.4607 30.3742 175.7379 77 T 3.8219 7.8103 117.4239 62.7871 69.5101 171.9659 78 P 4.7346 0.0000 0.0000 61.9047 32.9431 175.1365 79 F 5.6011 9.1286 123.0486 55.7249 43.3976 174.4944 80 L 5.1319 8.9934 120.9854 53.2072 44.4229 175.3353 81 R 4.9509 9.3614 126.0313 53.9939 31.6718 175.1031 82 F 4.8189 9.7248 127.3954 56.5985 40.4124 174.7014 83 L 5.0137 9.0709 127.5667 53.6137 43.5519 175.2637 84 F 5.5351 9.6955 125.2435 55.9794 42.2486 174.5023 85 A 5.3982 9.3776 123.2875 50.6082 21.8060 175.9935 86 I 4.9819 9.0013 121.5692 59.6518 40.9710 174.2585 87 E 5.2416 8.8444 126.6320 54.8813 30.9750 175.5357 88 L 4.8074 8.5462 123.6329 52.6594 44.3288 176.4967 89 E 4.0274 8.8901 122.4686 59.2444 29.8370 176.8581 90 Q 4.3433 7.1880 112.7007 54.6681 30.9618 173.2614 91 I 2.8837 7.7284 120.1201 60.5703 38.0429 175.2419 92 C 4.6022 8.0134 122.3531 55.5116 31.9318 171.3943 93 P 4.5471 0.0000 0.0000 62.6617 31.4532 176.1192 94 T 4.8237 7.9237 109.9094 60.3213 71.9351 173.1152 95 Q 4.4311 9.0845 122.2863 54.6641 32.7248 172.2603 96 P 4.5076 0.0000 0.0000 65.4102 31.4623 178.5433 97 H 4.0325 8.2870 109.8677 56.1038 27.2931 174.1171 98 D 4.8162 7.5633 119.0725 52.0337 43.4315 176.0477 99 S 4.1139 9.0845 122.9533 62.0266 63.4041 175.6273 100 D 4.4135 8.8846 120.2416 57.1880 40.7294 176.1331 101 I 4.1203 7.7578 120.5168 60.9382 36.7329 176.2465 102 D 4.6060 9.0368 129.0217 57.1321 41.5828 176.0711 103 C 4.7556 7.1757 110.9759 58.2588 32.4655 172.2773 104 C 5.1449 8.6448 115.5027 58.0384 31.0367 174.2116 105 R 4.5880 8.3929 120.1462 54.1555 34.3087 174.5007 106 W 5.0225 8.8448 122.1631 55.2547 30.5626 175.4718 107 V 4.6952 8.6664 124.3339 59.6629 35.1062 174.6480 108 S 5.0626 8.8042 115.1421 57.1604 64.8769 175.0685 109 A 3.8183 9.2340 124.5039 55.5847 18.0785 179.5666 110 E 3.8612 8.3523 116.9020 59.7461 29.4586 178.4042 111 E 4.0397 7.8392 116.5576 59.8756 29.8224 179.5697 112 I 4.0397 7.7582 118.7500 64.5540 37.1901 178.4156 113 L 4.0297 7.9560 118.3812 56.6022 41.4496 177.8864 114 Q 4.4635 7.7069 114.0670 55.2555 29.3445 175.6286 115 A 3.8903 7.9674 123.2290 52.7212 18.6278 177.6784 116 S 4.3959 8.3947 116.4052 58.4982 63.4953 173.5820 117 N 4.7471 7.2802 118.3510 53.0737 36.4433 174.5247 118 L 4.8865 7.4383 118.4784 54.5083 43.7386 179.0275 119 R 4.2473 8.7808 122.7619 59.6467 30.9136 176.6314 120 S 4.5250 7.6308 111.1297 56.5666 66.1715 174.0211 121 P 4.2473 0.0000 0.0000 64.9234 30.9640 177.7505 122 L 3.8771 7.2764 118.7435 56.1111 41.9234 178.9452 123 V 3.7378 7.6992 119.8159 65.3408 31.4746 177.4437 124 A 3.8800 7.9102 119.9100 55.3772 18.0611 179.0864 125 E 3.7988 7.5536 116.6738 59.3282 29.5722 179.0867 126 S 4.0630 8.0567 115.3496 61.6708 62.8193 176.8171 127 I 3.4236 7.2869 122.1970 64.2809 36.8072 178.3170 128 R 3.9051 7.8213 118.8623 59.9020 29.7607 178.6560 129 C 4.0397 7.9775 114.6871 63.0910 28.1956 175.3917 130 Y 4.0644 8.2805 121.3007 60.7720 38.2536 177.8314 131 Q 4.3667 8.3457 117.1300 57.4385 29.4171 177.7418 132 S 4.2496 8.0824 115.6504 59.2246 62.7890 176.0916 133 G 3.9050 7.5529 109.8320 45.8535 0.0000 174.4016 134 Q 3.7558 7.2339 118.0258 56.6238 29.0648 176.4219 135 R 4.6337 7.2963 120.1993 55.0191 34.4267 174.0152 136 Y 5.1063 8.9400 119.9764 55.2336 42.4295 173.2278 137 P 4.7091 0.0000 0.0000 63.0295 32.3898 177.4433 138 L 4.1871 8.7897 121.6443 57.8307 41.5857 179.4973 139 E 4.0735 8.3023 117.3983 59.2631 29.1851 178.5432 140 M 4.3207 7.7451 116.6274 56.7655 31.3197 176.5226 141 I 4.4476 7.5104 113.4737 60.3397 38.1873 175.8218 142 G 3.7478 7.9654 110.6125 45.8631 0.0000 173.5241 143 D 4.6488 7.9664 118.7875 52.1566 40.7224 175.6351 144 F 4.7071 8.4580 121.0249 58.2668 42.7588 174.6537 145 N 3.8223 7.6255 124.7604 53.9328 35.7791 173.9277 146 W 4.3918 7.7413 128.0350 56.3668 32.3444 173.8070 147 P 3.0582 0.0000 0.0000 62.3804 30.9382 175.2755 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 4.46 0.00 2.07 2.16 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.63 0.00 2 F 8.73 3.96 0.00 3.04 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 3 K 7.16 4.00 0.00 1.48 1.45 0.00 1.73 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.22 1.43 7.81 4 P 0.00 4.33 0.00 2.11 2.13 0.00 3.55 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 1.98 2.06 0.00 5 H 8.98 4.54 0.00 2.77 3.42 0.00 5.59 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 V 8.60 5.23 2.23 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 1.36 0.00 0.00 1.10 0.00 0.00 7 T 9.20 5.42 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 1.34 0.00 0.00 8 V 8.98 5.34 2.53 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 1.00 0.00 0.00 1.08 0.00 0.00 9 A 9.46 5.28 1.23 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 0.00 0.00 0.00 10 C 8.67 5.47 0.00 2.92 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.00 4.11 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 1.08 0.00 0.00 1.00 0.00 0.00 12 V 8.41 4.91 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 1.03 0.00 0.00 0.94 0.00 0.00 13 H 9.26 5.34 0.00 2.84 3.32 0.00 5.65 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 14 A 9.11 4.50 0.74 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 0.00 0.00 15 E 9.40 3.46 0.00 1.79 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 2.08 2.04 0.00 16 G 7.87 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 17 K 7.63 4.86 0.00 1.72 1.84 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.58 1.55 7.81 18 F 9.34 5.34 0.00 2.83 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 19 L 8.73 3.64 0.00 0.27 1.01 -0.34 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 20 V 8.25 4.51 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 0.17 0.00 0.00 0.89 0.00 0.00 21 V 9.02 4.58 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 0.69 0.00 0.00 1.00 0.00 0.00 22 E 8.81 5.14 0.00 1.94 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 2.24 2.12 0.00 23 E 9.77 5.26 0.00 1.98 1.77 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 2.21 2.23 0.00 24 T 8.52 4.89 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 25 I 9.00 3.96 1.89 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 0.95 0.00 0.00 26 N 9.10 4.53 0.00 2.81 2.73 0.00 0.00 6.78 8.45 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 27 G 7.97 3.88 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 0.00 0.00 0.00 28 K 7.42 4.73 0.00 1.80 1.65 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.34 7.81 29 A 8.49 4.82 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 30 L 9.43 4.97 0.00 1.63 1.64 0.89 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 31 W 9.28 5.36 0.00 3.15 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 32 N 9.01 5.26 0.00 2.82 2.60 0.00 0.00 7.05 6.61 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 33 Q 8.56 4.42 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.80 0.00 0.00 0.00 0.00 0.00 2.52 2.41 0.00 34 P 0.00 4.56 0.00 2.05 1.95 0.00 3.72 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 2.01 1.96 0.00 35 A 8.73 5.11 1.22 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 36 G 8.61 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 0.00 0.00 0.00 0.00 37 H 8.95 5.51 0.00 3.13 3.32 0.00 5.71 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 38 L 8.77 4.22 0.00 1.74 1.77 0.94 0.82 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 39 E 8.93 4.71 0.00 2.12 1.89 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 2.29 2.45 0.00 40 A 8.82 3.85 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 41 D 8.14 4.41 0.00 2.76 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 42 E 7.79 4.87 0.00 2.08 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 0.00 2.19 2.29 0.00 43 T 8.20 3.93 3.96 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 1.00 0.00 0.00 44 L 7.97 3.86 0.00 1.50 1.71 -0.38 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 45 V 7.45 3.06 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 0.66 0.00 0.00 0.76 0.00 0.00 46 E 7.94 3.86 0.00 2.07 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 2.36 2.29 0.00 47 A 8.05 4.07 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 48 A 7.87 3.91 1.03 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 0.00 0.00 49 A 8.06 3.94 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 50 R 8.42 3.91 0.00 1.91 2.15 0.00 3.29 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00 51 E 8.81 3.98 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.61 0.00 52 L 8.46 3.96 0.00 1.78 1.94 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 53 W 8.34 4.84 0.00 3.46 3.26 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 54 E 8.81 3.83 0.00 2.31 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 2.66 3.00 0.00 55 E 8.20 4.61 0.00 2.06 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.25 0.00 56 T 7.87 4.18 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 1.05 0.00 0.00 57 G 7.91 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 0.00 0.00 0.00 58 I 7.43 4.03 1.96 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 1.42 0.78 1.02 0.00 0.00 59 S 8.63 4.96 0.00 4.07 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 8.16 4.69 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 61 Q 8.41 4.30 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.88 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 62 P 0.00 4.41 0.00 1.77 1.70 0.00 3.47 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.79 0.00 63 Q 8.83 4.56 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 64 H 8.19 5.25 0.00 3.18 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 9.61 5.29 0.00 3.21 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 66 I 8.33 3.80 1.79 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.70 0.81 0.00 0.00 67 R 5.84 4.19 0.00 1.70 1.54 0.00 2.88 0.00 0.00 2.84 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.15 0.00 68 M 8.17 5.00 0.00 1.85 1.59 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.04 0.00 69 H 8.81 4.90 0.00 3.11 3.15 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Q 8.64 5.33 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 71 W 9.25 5.20 0.00 3.61 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 72 I 8.27 4.52 1.81 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 1.18 0.62 0.82 0.00 0.00 73 A 8.36 3.56 1.06 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 74 P 0.00 4.35 0.00 2.10 2.19 0.00 3.76 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 75 D 8.02 4.58 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 76 K 8.28 3.82 0.00 1.84 1.92 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.32 1.51 7.81 77 T 7.81 3.82 3.90 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 -0.12 0.00 0.00 78 P 0.00 4.73 0.00 2.17 2.10 0.00 3.20 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.14 0.00 79 F 9.13 5.60 0.00 2.89 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 80 L 8.99 5.13 0.00 1.83 1.70 1.03 0.73 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 81 R 9.36 4.95 0.00 2.00 1.87 0.00 3.02 0.00 0.00 3.11 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.47 0.00 82 F 9.72 4.82 0.00 3.26 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 83 L 9.07 5.01 0.00 1.73 1.57 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 84 F 9.70 5.54 0.00 3.21 3.21 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 85 A 9.38 5.40 1.41 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 86 I 9.00 4.98 2.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.13 1.01 0.00 0.00 87 E 8.84 5.24 0.00 1.91 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 2.39 2.49 0.00 88 L 8.55 4.81 0.00 1.47 1.63 1.12 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 89 E 8.89 4.03 0.00 1.88 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 2.27 2.34 0.00 90 Q 7.19 4.34 0.00 2.17 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.73 0.00 0.00 0.00 0.00 0.00 2.13 2.20 0.00 91 I 7.73 2.88 0.56 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.36 0.40 0.00 0.00 92 C 8.01 4.60 0.00 3.12 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 93 P 0.00 4.55 0.00 2.08 2.03 0.00 3.64 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 2.03 2.06 0.00 94 T 7.92 4.82 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 1.45 0.00 0.00 95 Q 9.08 4.43 0.00 1.85 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.97 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 96 P 0.00 4.51 0.00 2.16 2.01 0.00 4.01 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 2.07 2.01 0.00 97 H 8.29 4.03 0.00 2.87 3.06 0.00 5.66 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.56 4.82 0.00 2.62 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 99 S 9.08 4.11 0.00 3.91 3.96 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 0.00 100 D 8.88 4.41 0.00 2.69 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 0.00 101 I 7.76 4.12 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 1.32 0.69 0.93 0.00 0.00 102 D 9.04 4.61 0.00 2.59 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 0.00 103 C 7.18 4.76 0.00 2.90 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 0.00 104 C 8.64 5.14 0.00 2.69 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 0.00 105 R 8.39 4.59 0.00 1.24 1.49 0.00 2.93 0.00 0.00 2.59 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.21 0.00 106 W 8.84 5.02 0.00 3.05 3.06 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 0.00 107 V 8.67 4.70 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 0.75 0.00 0.00 0.92 0.00 0.00 108 S 8.80 5.06 0.00 4.05 4.15 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 0.00 109 A 9.23 3.82 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 0.00 110 E 8.35 3.86 0.00 2.13 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 2.41 2.51 0.00 111 E 7.84 4.04 0.00 2.21 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 2.44 2.61 0.00 112 I 7.76 4.04 1.98 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.70 0.89 0.00 0.00 113 L 7.96 4.03 0.00 1.60 1.72 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 7.71 4.46 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.81 0.00 0.00 0.00 0.00 0.00 2.25 2.56 0.00 115 A 7.97 3.89 1.16 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 0.00 0.00 116 S 8.39 4.40 0.00 3.74 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 0.00 117 N 7.28 4.75 0.00 2.72 2.68 0.00 0.00 6.18 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 0.00 118 L 7.44 4.89 0.00 1.56 1.58 0.89 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.78 4.25 0.00 1.63 2.04 0.00 3.23 0.00 0.00 3.29 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 120 S 7.63 4.53 0.00 3.97 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 P 0.00 4.25 0.00 2.07 2.28 0.00 3.64 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 1.74 2.01 0.00 122 L 7.28 3.88 0.00 1.22 1.31 -1.18 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 123 V 7.70 3.74 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 1.25 0.00 0.00 0.94 0.00 0.00 124 A 7.91 3.88 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 0.00 125 E 7.55 3.80 0.00 2.12 1.76 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 1.95 2.12 0.00 126 S 8.06 4.06 0.00 4.03 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 0.00 127 I 7.29 3.42 1.81 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.55 0.00 0.00 128 R 7.82 3.91 0.00 2.01 1.97 0.00 3.09 0.00 0.00 3.13 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.92 0.00 129 C 7.98 4.04 0.00 3.11 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 0.00 130 Y 8.28 4.06 0.00 3.17 3.10 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 0.00 131 Q 8.35 4.37 0.00 2.19 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.71 0.00 0.00 0.00 0.00 0.00 2.69 2.76 0.00 132 S 8.08 4.25 0.00 4.02 4.21 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 0.00 133 G 7.55 3.90 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 0.00 0.00 0.00 134 Q 7.23 3.76 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.51 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 135 R 7.30 4.63 0.00 1.36 1.56 0.00 3.19 0.00 0.00 3.09 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 136 Y 8.94 5.11 0.00 3.17 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.71 0.00 2.30 2.28 0.00 4.02 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.13 0.00 138 L 8.79 4.19 0.00 1.74 1.80 0.91 1.08 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 0.00 139 E 8.30 4.07 0.00 2.18 2.24 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 2.41 2.35 0.00 140 M 7.75 4.32 0.00 2.30 2.28 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.82 0.00 141 I 7.51 4.45 1.56 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.49 0.71 0.00 0.00 142 G 7.97 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 0.00 143 D 7.97 4.65 0.00 2.52 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 8.46 4.71 0.00 2.97 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 0.00 145 N 7.63 3.82 0.00 2.66 2.72 0.00 0.00 7.01 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 0.00 146 W 7.74 4.39 0.00 3.40 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 0.00 147 P 0.00 3.06 0.00 1.77 1.62 0.00 3.72 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.85 0.00