NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.7391 8.3301 116.7692 58.0367 65.3060 172.7323 2 A 4.6624 7.7044 121.1111 49.8415 22.7922 173.7266 3 L 5.2497 9.5659 122.0054 53.8320 46.4468 173.7470 4 T 5.2880 8.8550 121.6191 62.0408 72.6138 173.1969 5 I 4.2675 9.2078 126.1961 59.6508 40.8028 174.2310 6 F 5.0524 6.4315 122.0559 54.5316 41.6939 174.6768 7 S 4.5161 8.6485 114.4694 57.9606 63.4579 176.3996 8 V 3.6960 8.5130 122.3755 64.3456 31.1750 177.6541 9 K 4.2459 8.0443 118.6603 57.7484 32.4575 176.6823 10 D 4.9006 7.9311 119.6624 51.8132 40.3240 173.7468 11 P 4.3347 0.0000 0.0000 64.8221 32.2053 178.4276 12 Q 4.0271 7.7193 115.5447 56.4914 29.8682 176.0207 13 N 4.4715 7.4336 117.5029 50.9451 37.0761 174.4781 14 S 3.9708 7.5301 113.2391 58.8543 62.7617 175.2368 15 L 4.1140 8.2389 125.7068 56.3480 42.3696 176.8676 16 W 4.4997 8.3771 127.3815 56.8194 32.0503 174.4209 17 H 5.3434 7.7919 126.5927 54.9307 32.0492 172.3398 18 S 4.1928 8.0844 119.8527 57.7743 67.8900 173.9393 19 T 4.6590 8.2927 116.5312 59.7457 68.0242 173.0553 20 N 5.1365 8.1978 123.6905 49.9599 44.2964 174.6455 21 A 4.0726 8.5585 124.3899 55.7129 18.6542 180.0116 22 E 4.0025 8.1715 116.8719 59.1149 29.8349 178.9108 23 E 4.0602 8.1417 118.4565 59.5366 29.7749 179.0815 24 I 4.0564 8.0619 121.5459 63.8977 37.0114 178.6217 25 Q 4.0109 8.1796 118.9102 59.0855 28.5832 178.7231 26 Q 3.9957 8.2490 119.1059 59.1556 28.4352 179.0656 27 Q 3.8720 7.9716 118.8287 58.6426 28.6167 178.7475 28 L 3.7797 7.8888 119.9412 58.0286 41.8139 179.3336 29 N 4.7872 8.7366 117.7869 55.7004 38.2415 177.2545 30 A 4.3144 7.8984 121.1648 53.9652 18.4066 178.6828 31 K 4.4526 7.1634 115.3171 55.6920 32.6284 176.6707 32 G 3.8168 8.3841 107.4055 45.7296 0.0000 173.2978 33 V 4.3767 7.8460 120.0185 60.8472 33.4408 175.3807 34 R 4.7239 8.2221 126.4463 56.0266 31.8397 175.2582 35 F 5.0680 8.5053 122.4435 57.4086 42.8005 172.8853 36 E 4.6187 7.7713 123.2945 55.3192 34.8604 173.9378 37 R 4.8092 8.1378 119.6325 54.4998 31.8620 175.7968 38 W 4.5335 8.2280 124.2135 54.9337 31.5761 175.9846 39 Q 4.4496 8.6653 121.6094 54.7383 29.3861 177.0047 40 A 4.8053 8.6074 130.3808 51.0262 17.2442 176.3211 41 D 4.7548 7.9746 117.7880 52.5190 40.8606 177.6272 42 R 4.2310 7.9611 120.4238 55.3547 30.7687 175.1653 43 D 4.7870 8.5777 123.0528 52.1161 40.5794 176.2113 44 L 4.3833 8.4123 122.8441 53.8350 42.6692 175.0397 45 G 3.7968 7.8780 103.5059 44.2948 0.0000 173.3318 46 A 4.0140 8.8469 121.4342 54.6081 18.8878 177.9171 47 A 4.5547 7.7605 118.1733 49.8414 20.1738 174.5273 48 P 4.4969 0.0000 0.0000 62.3407 32.3183 176.2806 49 T 4.3841 8.1680 119.5916 61.8877 70.9420 175.6613 50 A 3.9684 8.4189 123.1652 55.5079 18.4459 179.5961 51 E 3.9505 8.0836 116.6390 59.9987 29.5630 179.1726 52 T 3.8185 7.8494 112.6496 65.0320 67.7404 175.9879 53 V 3.6492 7.7568 120.0554 66.3500 31.1681 178.3737 54 I 3.7435 7.7199 118.3585 64.4541 37.1625 177.9136 55 A 4.1549 7.9034 120.0177 55.1025 18.4619 179.2919 56 A 3.9589 8.1405 119.4885 55.4530 18.5485 178.7468 57 Y 4.3148 7.5026 111.6124 58.3635 37.9261 177.5606 58 Q 3.6381 7.6562 123.7954 59.5104 29.0642 178.2497 59 H 4.2313 8.0805 115.2306 58.4737 28.3951 177.1867 60 A 4.4407 7.5953 123.7432 54.7368 16.7742 179.5462 61 I 3.5509 7.3809 111.6227 64.0055 37.2493 177.9566 62 D 4.4711 7.4388 118.2722 56.6934 41.1522 176.9737 63 K 4.1218 7.9277 117.9110 57.4609 32.0505 176.3682 64 L 4.3021 6.9435 120.3950 57.5416 42.4299 176.4691 65 V 4.1740 7.7148 117.5322 61.2287 34.5972 174.7621 66 A 4.2464 8.3235 130.9748 51.0509 18.9743 175.3122 67 E 4.5301 8.1994 118.1128 56.4292 32.0853 176.2778 68 K 3.5664 8.4061 116.9607 58.0952 31.6380 174.8562 69 G 3.7954 8.6735 107.6728 45.4971 0.0000 173.3829 70 Y 3.4663 7.5964 112.3918 58.4282 34.5675 170.7612 71 Q 3.4073 6.7575 121.8310 58.1526 29.5400 177.8313 72 S 3.1547 6.4049 111.0936 57.0588 65.3593 174.4512 73 W 5.7397 6.4895 119.1288 54.3020 30.6054 174.2606 74 D 4.9350 8.5542 119.1720 53.0658 44.9312 173.5731 75 V 5.4267 8.2069 119.7976 60.0232 34.7792 175.2846 76 I 4.5320 7.9707 126.0550 59.5020 39.4526 173.8995 77 S 5.3970 8.3982 120.9193 55.4266 65.0761 173.3425 78 L 4.8045 8.6337 122.4134 53.2405 43.7346 175.7105 79 R 4.5457 8.5939 122.3752 54.5210 32.0117 176.4552 80 A 4.2151 8.4741 123.2562 54.2136 18.9440 177.8867 81 D 4.7441 7.9971 114.6037 54.0424 41.1023 176.0268 82 N 4.8483 7.7493 117.2140 50.8304 40.6095 173.4284 83 P 4.2448 0.0000 0.0000 64.3012 31.9180 177.5829 84 Q 4.3573 8.6216 117.1957 56.2504 28.8037 177.7382 85 K 4.1476 7.5134 119.0197 59.6640 33.2193 178.8206 86 E 4.1122 8.0744 119.2714 59.3487 29.7831 178.7972 87 A 4.0932 7.9417 119.9695 54.8276 18.4029 179.3648 88 L 4.0932 7.8692 117.7102 57.4527 41.5676 179.6283 89 R 3.9659 7.9209 116.4038 59.5111 29.2068 178.5943 90 E 4.1853 8.1392 119.6632 58.1340 29.6508 178.3236 91 K 4.0146 7.7222 118.8549 58.6621 32.3043 177.8564 92 F 4.7814 8.5559 116.1124 57.3932 39.6948 176.7383 93 L 4.6528 8.3913 118.2107 54.8458 41.5476 176.1914 94 N 4.8514 7.7502 116.4166 51.3889 40.4720 174.2517 95 E 4.3056 8.4637 119.6320 56.4618 30.0528 176.2977 96 H 4.8527 8.7114 122.6821 54.7128 32.9860 172.3106 97 T 4.4672 8.1591 122.0209 61.8039 72.6453 172.3852 98 H 5.2326 7.8176 117.7633 53.8342 31.5350 173.3018 99 G 4.3520 8.5870 107.7440 45.6912 0.0000 173.4929 100 E 4.6624 7.8861 118.1143 54.0231 33.6271 175.0771 101 D 4.4681 8.8290 123.6076 53.2674 39.5781 175.4370 102 E 4.8486 8.5914 122.0485 54.5728 32.9919 174.6771 103 V 4.6631 8.3306 119.7429 61.1702 35.0867 174.4132 104 R 5.5817 8.5431 124.2609 53.2500 34.0482 174.0053 105 F 4.9353 8.0781 124.9091 56.2652 42.6436 173.2976 106 F 4.5762 8.6779 124.4831 55.6459 39.7981 176.8373 107 V 3.5896 7.6827 116.4731 61.5194 32.9317 176.0846 108 E 4.3501 7.7168 119.1520 56.6890 32.7978 175.3365 109 G 4.1787 9.3919 109.3387 44.7992 0.0000 171.1531 110 A 4.8505 8.1074 119.3347 49.8978 22.3181 175.7980 111 G 4.1345 8.1469 106.0482 44.2614 0.0000 171.4641 112 L 4.7195 8.5457 124.3321 53.9920 43.3290 174.8968 113 F 4.5098 8.7107 129.8387 56.8376 39.6454 173.9716 114 C 4.7391 7.0639 123.6197 57.8457 30.6716 172.9780 115 L 4.3641 8.0450 121.8316 52.9137 44.9849 175.2068 116 H 4.8887 7.9440 117.8629 54.6280 31.7727 173.3349 117 I 4.3699 8.0130 127.1179 60.1879 40.0763 175.4211 118 G 4.0245 8.6008 116.9020 46.7464 0.0000 173.4255 119 D 5.0248 8.4794 116.0408 53.3962 39.4810 176.4138 120 E 4.9225 7.8232 116.6891 54.4432 34.0626 175.6107 121 V 4.4849 7.4741 122.4268 61.2356 33.8093 174.2333 122 F 4.6191 9.0479 127.6240 56.5068 40.8570 174.8922 123 Q 4.8250 9.1431 124.6310 54.3597 31.3011 174.2005 124 V 5.4241 8.1652 126.0351 58.7771 34.4889 175.0566 125 L 4.5615 8.7055 123.9194 54.5546 43.1355 175.8124 126 C 5.0522 8.6234 119.1996 58.1181 31.4694 173.0483 127 E 5.0212 8.6727 121.3204 53.7182 33.8717 176.7893 128 K 4.9855 8.0726 116.6552 58.1629 31.1776 178.1283 129 N 4.6732 9.1114 118.9916 56.3568 39.4633 173.8270 130 D 5.4501 7.8685 119.2505 53.6974 41.9981 175.0842 131 L 4.8107 7.8616 124.4459 54.7164 46.3596 175.6296 132 I 5.1695 8.3415 122.2895 59.6616 41.8719 174.2536 133 S 4.8917 8.6563 123.1532 57.4250 67.0932 173.9422 134 V 4.6008 7.8342 117.7839 58.9459 34.0418 174.0508 135 P 4.4562 0.0000 0.0000 61.6417 32.4022 176.1875 136 A 4.1047 8.1147 122.7172 53.2789 18.8584 178.5671 137 H 4.2552 8.5393 114.0397 56.5506 26.9316 175.2562 138 T 4.4565 7.4341 116.7864 60.9879 68.7575 172.7465 139 P 5.0020 0.0000 0.0000 62.4576 32.8262 175.0023 140 H 4.6565 8.5005 116.8623 53.4705 31.2639 172.3635 141 W 5.2829 6.8014 116.0724 54.9174 31.7438 174.0796 142 F 4.7249 8.6022 120.2201 56.6155 40.2324 175.1571 143 D 4.4076 8.4825 122.5524 53.9188 41.0734 175.4031 144 M 4.0607 9.1047 127.5422 52.6641 33.0926 179.2874 145 G 3.6285 8.3193 113.4022 46.8416 0.0000 172.7245 146 S 4.6316 8.8125 114.4600 57.4187 67.5107 173.4579 147 E 4.6712 8.3601 117.5165 55.1378 28.9988 174.3313 148 P 4.5373 0.0000 0.0000 63.1504 32.9085 175.5509 149 N 5.1065 8.7135 117.5783 51.7373 39.0541 174.4122 150 F 4.9209 8.7867 115.7153 56.0752 41.1478 172.7784 151 T 4.4212 9.3782 120.3844 61.8897 70.3614 173.7073 152 A 4.3357 7.5069 126.1676 49.9568 23.3971 174.5497 153 I 4.7552 7.6134 119.5453 59.3722 40.4864 174.6355 154 R 4.9934 8.7702 127.5089 54.6042 32.6058 174.6723 155 I 5.1430 8.4671 126.4600 59.5144 40.8807 175.7182 156 F 3.9174 8.0115 120.6260 57.2395 37.1841 173.7859 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 S 8.33 4.74 0.00 3.84 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 2 A 7.70 4.66 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 3 L 9.57 5.25 0.00 1.83 1.80 1.10 0.72 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 4 T 8.86 5.29 4.50 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 1.29 0.00 0.00 5 I 9.21 4.27 1.54 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.26 -0.57 0.00 0.00 6 F 6.43 5.05 0.00 3.41 3.23 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 7 S 8.65 4.52 0.00 3.87 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 8 V 8.51 3.70 2.15 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 0.66 0.00 0.00 0.99 0.00 0.00 9 K 8.04 4.25 0.00 1.80 1.93 0.00 1.71 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.48 7.81 10 D 7.93 4.90 0.00 2.67 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 11 P 0.00 4.33 0.00 2.16 2.27 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.00 0.00 12 Q 7.72 4.03 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.48 0.00 0.00 0.00 0.00 0.00 2.22 2.28 0.00 13 N 7.43 4.47 0.00 2.71 2.74 0.00 0.00 6.89 7.53 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 14 S 7.53 3.97 0.00 3.85 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 15 L 8.24 4.11 0.00 1.79 1.75 0.99 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 16 W 8.38 4.50 0.00 3.50 3.24 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 17 H 7.79 5.34 0.00 3.08 2.98 0.00 6.01 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.08 4.19 0.00 3.28 3.36 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 19 T 8.29 4.66 4.31 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 1.14 0.00 0.00 20 N 8.20 5.14 0.00 2.92 2.61 0.00 0.00 6.98 7.85 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 21 A 8.56 4.07 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 22 E 8.17 4.00 0.00 2.08 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 2.41 2.43 0.00 23 E 8.14 4.06 0.00 2.34 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 2.61 2.61 0.00 24 I 8.06 4.06 1.77 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 2.01 0.33 0.00 0.00 25 Q 8.18 4.01 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 7.06 0.00 0.00 0.00 0.00 0.00 2.61 2.77 0.00 26 Q 8.25 4.00 0.00 2.16 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.84 0.00 0.00 0.00 0.00 0.00 2.39 2.58 0.00 27 Q 7.97 3.87 0.00 1.99 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.29 0.00 0.00 0.00 0.00 0.00 1.55 2.12 0.00 28 L 7.89 3.78 0.00 1.67 1.66 0.26 0.34 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 29 N 8.74 4.79 0.00 2.86 2.87 0.00 0.00 6.56 7.81 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 30 A 7.90 4.31 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 31 K 7.16 4.45 0.00 1.74 1.66 0.00 1.33 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.36 7.81 32 G 8.38 3.82 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 0.00 0.00 0.00 33 V 7.85 4.38 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 0.98 0.00 0.00 0.84 0.00 0.00 34 R 8.22 4.72 0.00 1.88 1.89 0.00 3.38 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 35 F 8.51 5.07 0.00 2.98 3.20 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 36 E 7.77 4.62 0.00 1.74 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 37 R 8.14 4.81 0.00 1.56 1.90 0.00 3.23 0.00 0.00 3.23 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.57 0.00 38 W 8.23 4.53 0.00 2.41 2.71 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 39 Q 8.67 4.45 0.00 2.11 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.50 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 40 A 8.61 4.81 1.44 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 0.00 0.00 41 D 7.97 4.75 0.00 2.82 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 42 R 7.96 4.23 0.00 1.38 1.61 0.00 3.31 0.00 0.00 3.09 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.34 0.00 43 D 8.58 4.79 0.00 2.77 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 44 L 8.41 4.38 0.00 1.66 1.74 0.81 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 45 G 7.88 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 A 8.85 4.01 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 47 A 7.76 4.55 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 48 P 0.00 4.50 0.00 2.16 2.08 0.00 3.75 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 49 T 8.17 4.38 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 1.21 0.00 0.00 50 A 8.42 3.97 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 51 E 8.08 3.95 0.00 2.04 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 2.42 2.38 0.00 52 T 7.85 3.82 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 1.25 0.00 0.00 53 V 7.76 3.65 2.20 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 1.01 0.00 0.00 0.97 0.00 0.00 54 I 7.72 3.74 2.16 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 1.71 0.81 1.16 0.00 0.00 55 A 7.90 4.15 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 56 A 8.14 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 7.50 4.31 0.00 3.01 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 58 Q 7.66 3.64 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.62 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 59 H 8.08 4.23 0.00 3.37 3.55 0.00 5.51 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.60 4.44 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 0.00 0.00 0.00 0.00 0.00 61 I 7.38 3.55 1.39 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 1.20 0.29 0.41 0.00 0.00 62 D 7.44 4.47 0.00 2.65 2.84 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 63 K 7.93 4.12 0.00 1.73 1.81 0.00 1.41 0.00 0.00 1.27 0.00 0.00 2.51 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.23 7.81 64 L 6.94 4.30 0.00 1.88 1.74 0.48 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 65 V 7.71 4.17 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 0.84 0.00 0.00 1.03 0.00 0.00 66 A 8.32 4.25 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 67 E 8.20 4.53 0.00 2.13 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 2.24 2.45 0.00 68 K 8.41 3.57 0.00 2.03 1.94 0.00 1.79 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.44 1.44 7.81 69 G 8.67 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 Y 7.60 3.47 0.00 3.11 3.24 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 71 Q 6.76 3.41 0.00 1.59 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 72 S 6.40 3.15 0.00 3.29 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 73 W 6.49 5.74 0.00 3.32 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.55 4.93 0.00 2.83 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 V 8.21 5.43 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 0.59 0.00 0.00 0.91 0.00 0.00 76 I 7.97 4.53 1.52 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 1.56 0.79 0.91 0.00 0.00 77 S 8.40 5.40 0.00 3.80 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 78 L 8.63 4.80 0.00 1.88 1.68 0.84 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 79 R 8.59 4.55 0.00 1.91 1.89 0.00 3.21 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.62 0.00 80 A 8.47 4.22 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 81 D 8.00 4.74 0.00 2.69 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 82 N 7.75 4.85 0.00 2.79 2.91 0.00 0.00 7.23 8.05 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 83 P 0.00 4.24 0.00 2.18 2.12 0.00 3.59 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 2.13 2.11 0.00 84 Q 8.62 4.36 0.00 2.21 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 85 K 7.51 4.15 0.00 2.08 2.17 0.00 1.80 0.00 0.00 1.72 0.00 0.00 3.09 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.49 7.81 86 E 8.07 4.11 0.00 2.05 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 2.40 2.38 0.00 87 A 7.94 4.09 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 88 L 7.87 4.09 0.00 1.97 1.90 1.01 1.34 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 89 R 7.92 3.97 0.00 2.15 2.21 0.00 2.84 0.00 0.00 3.11 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.79 0.00 90 E 8.14 4.19 0.00 1.98 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 2.28 2.36 0.00 91 K 7.72 4.01 0.00 1.92 1.83 0.00 1.24 0.00 0.00 1.43 0.00 0.00 2.75 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.34 1.49 7.81 92 F 8.56 4.78 0.00 3.34 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 93 L 8.39 4.65 0.00 1.70 1.70 0.94 1.12 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 94 N 7.75 4.85 0.00 2.70 2.75 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 95 E 8.46 4.31 0.00 1.98 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 2.39 2.27 0.00 96 H 8.71 4.85 0.00 3.04 3.18 0.00 5.87 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 T 8.16 4.47 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 1.17 0.00 0.00 98 H 7.82 5.23 0.00 3.29 3.33 0.00 5.64 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.59 4.35 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 0.00 100 E 7.89 4.66 0.00 2.02 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 2.31 2.47 0.00 101 D 8.83 4.47 0.00 3.00 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 0.00 102 E 8.59 4.85 0.00 2.11 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 2.25 2.24 0.00 103 V 8.33 4.66 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 0.99 0.00 0.00 1.02 0.00 0.00 104 R 8.54 5.58 0.00 1.34 1.24 0.00 3.21 0.00 0.00 3.27 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.23 0.00 105 F 8.08 4.94 0.00 2.25 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 0.00 106 F 8.68 4.58 0.00 3.02 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 0.00 107 V 7.68 3.59 1.50 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 -1.76 0.00 0.00 0.56 0.00 0.00 108 E 7.72 4.35 0.00 1.93 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 2.30 2.36 0.00 109 G 9.39 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 A 8.11 4.85 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 0.00 111 G 8.15 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 L 8.55 4.72 0.00 1.83 1.63 0.96 0.92 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 0.00 113 F 8.71 4.51 0.00 3.03 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 0.00 114 C 7.06 4.74 0.00 2.40 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 0.00 0.00 0.00 115 L 8.05 4.36 0.00 1.28 1.11 0.69 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.94 4.89 0.00 3.25 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 I 8.01 4.37 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.59 0.84 0.00 0.00 118 G 8.60 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 0.00 119 D 8.48 5.02 0.00 2.77 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 0.00 120 E 7.82 4.92 0.00 1.74 1.15 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 2.02 2.08 0.00 121 V 7.47 4.48 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 1.40 0.00 0.00 1.02 0.00 0.00 122 F 9.05 4.62 0.00 3.04 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 0.00 123 Q 9.14 4.82 0.00 2.32 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 124 V 8.17 5.42 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 1.04 0.00 0.00 1.03 0.00 0.00 125 L 8.71 4.56 0.00 1.62 1.67 0.97 0.92 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 0.00 126 C 8.62 5.05 0.00 2.91 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 0.00 0.00 0.00 127 E 8.67 5.02 0.00 1.93 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 2.29 2.31 0.00 128 K 8.07 4.99 0.00 2.05 1.94 0.00 1.54 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.46 7.81 129 N 9.11 4.67 0.00 2.85 2.99 0.00 0.00 6.86 8.19 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 0.00 130 D 7.87 5.45 0.00 2.70 2.43 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 0.00 131 L 7.86 4.81 0.00 0.96 1.64 0.16 0.82 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 0.00 132 I 8.34 5.17 2.16 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.56 0.80 0.00 0.00 133 S 8.66 4.89 0.00 3.90 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 0.00 134 V 7.83 4.60 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 0.89 0.00 0.00 0.92 0.00 0.00 135 P 0.00 4.46 0.00 2.01 1.96 0.00 3.62 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.22 0.00 136 A 8.11 4.10 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 0.00 137 H 8.54 4.26 0.00 3.37 3.45 0.00 5.69 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 T 7.43 4.46 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 1.11 0.00 0.00 139 P 0.00 5.00 0.00 2.25 2.23 0.00 3.82 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.89 0.00 140 H 8.50 4.66 0.00 2.51 2.94 0.00 5.47 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 W 6.80 5.28 0.00 3.43 3.36 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 0.00 142 F 8.60 4.72 0.00 2.88 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 0.00 143 D 8.48 4.41 0.00 2.76 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 M 9.10 4.06 0.00 2.16 1.97 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.60 0.00 145 G 8.32 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.81 4.63 0.00 3.69 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 0.00 147 E 8.36 4.67 0.00 2.06 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 2.18 2.26 0.00 148 P 0.00 4.54 0.00 2.20 2.09 0.00 3.83 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 1.91 1.91 0.00 149 N 8.71 5.11 0.00 2.79 2.92 0.00 0.00 6.21 7.46 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 0.00 150 F 8.79 4.92 0.00 3.06 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.38 4.42 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 0.99 0.00 0.00 152 A 7.51 4.34 0.78 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 0.00 0.00 153 I 7.61 4.76 1.63 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.40 0.82 0.00 0.00 154 R 8.77 4.99 0.00 1.89 1.81 0.00 2.75 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.55 0.00 155 I 8.47 5.14 1.95 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 1.32 0.74 1.24 0.00 0.00 156 F 8.01 3.92 0.00 3.07 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