NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.3689 8.1776 115.2776 57.8439 63.5427 174.5755 2 I 3.2329 8.0490 121.6974 63.1872 37.6323 176.7475 3 Q 4.0320 8.1617 121.0992 58.5477 29.5685 178.5036 4 A 4.1084 7.5768 119.5054 53.7012 19.0588 177.6095 5 E 3.6941 7.8903 117.9672 55.6698 29.6783 178.1134 6 E 3.8832 8.4009 122.0412 58.5456 29.9528 177.6775 7 W 4.4886 7.1837 114.9784 56.8511 28.8821 174.8711 8 Y 5.0155 7.5510 121.6637 56.9639 37.4933 174.6426 9 F 4.4761 9.3946 126.3962 56.6220 40.4345 178.3216 10 G 3.3091 5.7342 111.3585 46.7863 0.0000 176.3800 11 K 4.4402 8.5085 119.2649 54.4911 30.3591 175.1426 12 I 4.6518 7.4089 114.8455 57.9919 40.9813 176.9468 13 T 4.3408 8.1050 112.5208 60.9618 71.0845 175.7135 14 R 3.8200 9.4271 121.8956 59.7108 29.9446 178.6350 15 R 3.8643 7.9278 117.9003 59.3530 30.0691 177.9239 16 E 3.9458 8.2780 119.4341 59.2274 29.5885 178.8029 17 S 4.1393 8.2244 114.3708 61.7506 62.8424 176.4640 18 E 3.9684 8.5085 122.3305 58.8794 28.9482 179.2060 19 R 3.8893 8.0163 118.3680 59.4650 30.2215 178.3441 20 L 4.1829 7.9370 117.7670 57.8343 41.7492 179.1675 21 L 4.2034 8.0772 118.0741 56.8541 42.3249 178.0809 22 L 4.4423 8.0596 119.8661 53.7387 41.2710 176.4815 23 N 4.8671 7.4882 117.1871 51.3783 40.9622 174.8618 24 A 4.0984 8.7700 128.5406 55.2185 18.5145 178.0444 25 E 4.1299 8.7949 114.0526 57.7691 29.8498 176.6217 26 N 4.5782 8.1698 118.5499 51.7027 39.1289 173.5496 27 P 4.5334 0.0000 0.0000 61.5013 32.6756 175.6989 28 R 3.9670 8.1256 117.7537 57.9733 30.3362 177.6699 29 G 4.1149 9.0616 109.3707 46.4430 0.0000 173.4079 30 T 4.6673 7.6067 117.6842 63.9429 69.5898 173.4618 31 F 5.8353 9.1722 119.8536 55.8143 42.2863 172.6440 32 L 4.5957 8.2395 117.0460 54.6789 43.6159 174.0173 33 V 5.1658 8.9902 120.4604 61.2989 34.4510 174.6026 34 R 4.9469 9.1308 122.9894 54.2547 33.5398 174.1303 35 E 4.6623 8.9517 119.4326 56.2412 30.1732 177.2811 36 S 4.3342 8.3313 117.8666 58.3697 62.5626 174.5121 37 E 4.1792 8.9781 125.7322 58.6178 29.5513 177.6575 38 T 4.4417 7.8042 105.2373 60.8842 70.5538 173.6401 39 T 4.3361 8.0835 120.1863 61.0910 69.1329 173.3189 40 K 3.9048 8.5290 127.6996 58.0719 32.3945 176.9223 41 G 3.7147 8.8906 112.7957 45.5385 0.0000 172.3416 42 A 4.7253 7.6441 120.8325 50.0657 22.7584 175.0645 43 Y 5.3399 8.8326 115.8761 56.4622 42.7763 174.3851 44 C 5.3460 9.4811 117.1603 58.1467 32.4879 173.5150 45 L 4.9678 9.2592 125.9175 53.8617 43.4441 175.0354 46 S 5.1565 8.9199 123.9672 57.2190 64.7163 173.7461 47 V 5.0735 8.8671 125.0805 61.0346 34.7420 174.8368 48 S 5.0047 9.2364 122.3869 58.1574 65.0738 172.3379 49 D 5.1851 9.1403 120.2518 53.3934 45.4542 173.6003 50 F 5.4842 8.7773 122.4697 57.5789 42.3841 172.6039 51 D 4.7246 7.5049 123.7652 52.0908 42.5180 175.8726 52 N 4.1858 8.7557 115.7760 55.5123 38.7573 176.8266 53 A 4.0747 7.7890 120.9417 54.6667 18.8547 178.5682 54 K 4.0954 8.8176 113.5459 55.8533 33.5995 179.5631 55 G 3.2858 7.7237 108.5441 45.2168 0.0000 172.0509 56 L 4.9332 8.5041 123.6619 55.2528 42.8709 177.1723 57 N 5.0255 9.2039 122.4569 52.0110 41.3613 173.0756 58 V 4.9067 8.2449 118.3800 61.0280 34.4309 174.5592 59 K 4.5864 8.8535 125.6918 54.7706 35.7610 174.6612 60 H 5.2169 8.2562 119.2003 54.1509 31.8395 172.5801 61 Y 4.7193 8.7076 120.3297 55.8728 40.8086 174.7313 62 K 4.7491 8.7761 125.1839 56.1201 34.0155 175.1081 63 I 4.9259 8.8876 128.6165 59.8784 39.3874 174.8817 64 R 4.6743 8.9766 126.7060 54.4597 32.4164 175.3464 65 K 4.4858 8.1807 122.8450 54.5422 34.7231 175.7305 66 L 4.4655 8.5799 127.6776 53.8412 42.8324 177.6473 67 D 4.4801 8.4160 120.0414 56.8188 41.0429 178.1356 68 S 4.2276 7.8917 114.0955 59.1389 63.1586 174.1055 69 G 4.1102 7.8172 109.8670 45.7813 0.0000 175.0332 70 G 4.0468 8.1141 106.2102 46.0261 0.0000 172.6842 71 F 5.5207 9.2741 120.5273 55.7623 42.3097 174.1378 72 Y 5.2305 8.5182 119.1549 57.1784 41.0981 175.2120 73 I 4.2735 8.9567 119.9939 62.2100 38.4784 176.2731 74 T 4.7652 7.7991 114.4627 59.7292 69.1916 174.8483 75 S 2.7931 8.5802 122.9148 60.5530 62.9666 175.4948 76 R 3.9779 7.3112 118.1332 57.9353 29.9896 176.8627 77 T 4.1518 7.7123 113.9353 61.4497 69.5063 173.0262 78 Q 4.8338 7.6488 123.8286 53.8921 31.5606 175.2582 79 F 4.9497 8.8695 117.6460 55.8065 42.7123 176.2078 80 N 4.7016 9.0205 120.0393 55.4620 39.0717 175.7845 81 S 4.4754 7.6784 111.8164 55.9071 66.7795 175.0167 82 L 3.4088 6.9987 124.0703 58.1097 41.6410 179.2571 83 Q 4.2190 7.8863 117.6565 59.1723 28.6585 178.6536 84 Q 3.9232 8.0342 119.0828 58.5884 28.7366 178.4628 85 L 2.4400 7.4932 121.3374 57.5637 42.0698 179.1948 86 V 3.1339 7.6391 118.2264 65.6778 31.0625 177.7814 87 A 3.8489 7.6999 119.6171 55.1656 18.5326 178.6843 88 Y 3.9095 7.7617 118.0494 61.0723 38.8587 177.7854 89 Y 4.5595 7.6011 117.6536 59.4451 37.7218 177.7051 90 S 4.6894 7.3259 116.2248 59.0621 63.1840 174.6687 91 K 4.2849 7.5890 119.4943 56.2815 33.8553 176.1033 92 H 4.6703 7.4670 115.2790 53.6018 31.9578 174.1562 93 A 4.0174 8.7684 127.2674 54.5070 19.8336 179.1777 94 D 4.6009 7.7458 112.9539 56.0131 40.1718 174.8747 95 G 3.9644 8.9755 116.2904 46.3210 0.0000 173.3146 96 L 4.0097 7.9005 121.3676 53.5182 42.4345 177.8819 97 C 4.3074 8.6695 115.8636 61.3798 29.7312 173.3482 98 H 4.4582 7.1226 117.1587 54.9133 32.5535 173.5401 99 R 4.1437 7.6644 120.2624 55.6694 30.3592 175.9674 100 L 4.2211 8.4415 120.8626 55.0789 41.4073 175.8367 101 T 4.7210 8.1598 113.2378 61.5458 70.1943 174.1074 102 T 4.9129 7.7542 109.1937 58.4009 73.2498 173.4391 103 V 3.5584 8.2958 122.7353 62.7294 32.2515 175.2876 104 C 4.2608 8.3400 128.7553 58.8933 31.9192 171.8144 105 P 4.5172 0.0000 0.0000 62.8893 31.8181 176.5951 106 T 4.2404 8.3534 116.3682 63.9466 68.5226 174.9608 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 8.18 4.37 0.00 3.83 3.74 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 2 I 8.05 3.23 1.19 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.33 0.66 0.00 0.00 3 Q 8.16 4.03 0.00 2.02 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 4 A 7.58 4.11 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 5 E 7.89 3.69 0.00 1.16 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 2.09 1.68 0.00 6 E 8.40 3.88 0.00 2.06 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 2.36 2.30 0.00 7 W 7.18 4.49 0.00 3.42 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 8 Y 7.55 5.02 0.00 2.59 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 9 F 9.39 4.48 0.00 2.86 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 10 G 5.73 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 0.00 0.00 0.00 11 K 8.51 4.44 0.00 1.76 1.76 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 12 I 7.41 4.65 1.94 0.00 0.00 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 1.58 0.91 1.00 0.00 0.00 13 T 8.11 4.34 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 1.22 0.00 0.00 14 R 9.43 3.82 0.00 1.76 2.04 0.00 3.03 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.38 0.00 15 R 7.93 3.86 0.00 1.91 1.91 0.00 3.24 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 16 E 8.28 3.95 0.00 2.16 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 0.00 2.35 2.43 0.00 17 S 8.22 4.14 0.00 4.09 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 8.51 3.97 0.00 2.19 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.60 0.00 19 R 8.02 3.89 0.00 1.90 2.13 0.00 3.27 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 20 L 7.94 4.18 0.00 1.86 1.78 1.14 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 21 L 8.08 4.20 0.00 1.65 1.73 0.93 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.06 4.44 0.00 1.69 1.69 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 23 N 7.49 4.87 0.00 2.71 2.67 0.00 0.00 6.92 8.54 0.00 0.00 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 A 8.77 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.79 4.13 0.00 2.05 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 2.33 2.27 0.00 26 N 8.17 4.58 0.00 2.82 2.77 0.00 0.00 6.98 7.56 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 27 P 0.00 4.53 0.00 2.19 2.15 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 28 R 8.13 3.97 0.00 1.45 1.71 0.00 3.35 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.66 0.00 29 G 9.06 4.11 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 0.00 0.00 0.00 30 T 7.61 4.67 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 1.19 0.00 0.00 31 F 9.17 5.84 0.00 3.18 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 32 L 8.24 4.60 0.00 0.66 0.65 0.76 -0.02 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 33 V 8.99 5.17 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 1.13 0.00 0.00 1.09 0.00 0.00 34 R 9.13 4.95 0.00 2.00 1.97 0.00 3.03 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 35 E 8.95 4.66 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 2.50 2.46 0.00 36 S 8.33 4.33 0.00 3.91 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 37 E 8.98 4.18 0.00 1.98 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 2.31 2.29 0.00 38 T 7.80 4.44 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 39 T 8.08 4.34 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 1.18 0.00 0.00 40 K 8.53 3.90 0.00 1.68 1.71 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.44 7.81 41 G 8.89 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 0.00 0.00 0.00 42 A 7.64 4.73 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 43 Y 8.83 5.34 0.00 3.14 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 44 C 9.48 5.35 0.00 2.89 2.86 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 45 L 9.26 4.97 0.00 1.78 1.68 0.95 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 46 S 8.92 5.16 0.00 3.82 3.76 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 47 V 8.87 5.07 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 1.15 0.00 0.00 1.07 0.00 0.00 48 S 9.24 5.00 0.00 3.93 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 49 D 9.14 5.19 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 50 F 8.78 5.48 0.00 3.09 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 51 D 7.50 4.72 0.00 2.68 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.76 4.19 0.00 2.71 2.90 0.00 0.00 6.90 7.35 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 53 A 7.79 4.07 1.24 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 54 K 8.82 4.10 0.00 1.58 1.79 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.44 7.81 55 G 7.72 3.29 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 0.00 56 L 8.50 4.93 0.00 1.95 1.71 1.11 0.89 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 57 N 9.20 5.03 0.00 2.81 2.82 0.00 0.00 6.02 7.42 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 58 V 8.24 4.91 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 0.67 0.00 0.00 0.93 0.00 0.00 59 K 8.85 4.59 0.00 1.48 1.19 0.00 1.59 0.00 0.00 1.59 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.57 7.81 60 H 8.26 5.22 0.00 2.88 3.11 0.00 5.64 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.71 4.72 0.00 2.94 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 K 8.78 4.75 0.00 1.88 1.73 0.00 1.70 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.52 1.51 7.81 63 I 8.89 4.93 2.16 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 1.31 0.63 1.21 0.00 0.00 64 R 8.98 4.67 0.00 0.67 1.46 0.00 3.20 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 65 K 8.18 4.49 0.00 1.28 1.55 0.00 1.01 0.00 0.00 0.61 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.09 1.25 7.81 66 L 8.58 4.47 0.00 1.80 1.57 1.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.42 4.48 0.00 2.65 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 68 S 7.89 4.23 0.00 3.87 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 69 G 7.82 4.11 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 0.00 0.00 0.00 70 G 8.11 4.05 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 0.00 0.00 0.00 71 F 9.27 5.52 0.00 3.19 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 Y 8.52 5.23 0.00 3.42 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.96 4.27 1.90 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.04 0.95 0.00 0.00 74 T 7.80 4.77 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 1.31 0.00 0.00 75 S 8.58 2.79 0.00 3.53 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.31 3.98 0.00 1.80 1.95 0.00 3.07 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 77 T 7.71 4.15 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 0.73 0.00 0.00 78 Q 7.65 4.83 0.00 1.84 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.78 0.00 0.00 0.00 0.00 0.00 2.09 2.18 0.00 79 F 8.87 4.95 0.00 3.24 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 80 N 9.02 4.70 0.00 3.04 2.97 0.00 0.00 6.77 7.57 0.00 0.00 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 S 7.68 4.48 0.00 3.89 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 82 L 7.00 3.41 0.00 0.61 1.32 0.80 0.31 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 83 Q 7.89 4.22 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.69 0.00 0.00 0.00 0.00 0.00 2.56 2.84 0.00 84 Q 8.03 3.92 0.00 2.33 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.43 2.39 0.00 85 L 7.49 2.44 0.00 1.55 1.61 1.20 0.86 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 86 V 7.64 3.13 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 0.14 0.00 0.00 -0.17 0.00 0.00 87 A 7.70 3.85 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 7.76 3.91 0.00 2.83 2.21 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 89 Y 7.60 4.56 0.00 2.94 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 90 S 7.33 4.69 0.00 3.85 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 91 K 7.59 4.28 0.00 1.51 1.46 0.00 1.52 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.23 1.37 7.81 92 H 7.47 4.67 0.00 2.68 3.14 0.00 5.61 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 93 A 8.77 4.02 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 94 D 7.75 4.60 0.00 3.12 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 0.00 0.00 0.00 95 G 8.98 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 0.00 0.00 0.00 96 L 7.90 4.01 0.00 1.60 1.28 0.48 -0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 97 C 8.67 4.31 0.00 3.37 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 98 H 7.12 4.46 0.00 3.19 3.16 0.00 5.76 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 99 R 7.66 4.14 0.00 2.06 1.93 0.00 3.22 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 100 L 8.44 4.22 0.00 1.16 0.39 0.09 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 101 T 8.16 4.72 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 102 T 7.75 4.91 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 1.27 0.00 0.00 103 V 8.30 3.56 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 0.84 0.00 0.00 0.98 0.00 0.00 104 C 8.34 4.26 0.00 2.88 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 4.52 0.00 2.12 1.99 0.00 3.74 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.12 0.00 106 T 8.35 4.24 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 1.10 0.00 0.00