NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 A 4.1986 8.2229 123.5821 50.4799 20.6309 175.3653 10 S 4.3490 7.5506 113.6756 58.2340 62.9804 178.0911 11 N 4.7457 7.6474 117.9141 52.4001 40.9758 174.3555 *12 W 4.4871 7.8024 124.6938 55.0009 28.6872 176.5371 13 R 4.4398 8.0971 120.4271 55.4820 33.0717 171.6689 14 L 4.8695 8.4260 126.5677 53.4401 47.4205 174.5262 15 V 4.2746 7.8559 121.8067 62.6201 37.5552 178.5848 16 E 4.6960 8.0201 121.6145 56.7853 31.7888 176.9839 17 V 4.3634 7.9976 107.1861 59.2560 32.0241 171.7722 18 G 4.1682 8.2742 117.6157 45.3450 0.0000 172.4370 19 R 4.8476 8.7502 123.8541 57.3680 32.1521 177.0247 20 V 3.6870 9.2925 117.9598 61.4063 28.2583 173.3367 21 V 5.1771 7.5216 120.0977 60.2286 35.3922 177.0226 22 L 5.2706 8.9307 129.8550 54.1179 44.1194 172.2604 23 I 4.0305 8.1733 111.6651 64.0313 41.5951 167.0091 24 K 5.2504 8.3764 123.3363 56.2428 31.9223 174.1133 25 K 4.3583 8.4120 119.2791 55.6256 30.7716 174.6700 26 G 3.7679 7.9130 107.5107 50.3997 0.0000 173.6480 27 Q 3.3613 7.3083 115.3608 54.7480 31.4480 173.6830 28 S 4.7060 9.7175 106.7933 57.7911 62.7281 170.8456 29 A 4.1411 6.9908 125.9816 51.7156 20.4246 177.4616 30 G 4.0696 7.5859 115.8515 45.2481 0.0000 172.9536 31 K 4.0459 9.1001 132.0194 54.0506 31.4159 175.1553 32 L 4.7981 8.5004 122.8038 52.8829 40.2104 174.4910 33 A 4.9960 8.3535 125.3595 49.4945 22.0648 174.9785 34 A 5.4873 8.2495 123.8733 49.9292 23.0385 175.2415 35 I 4.3817 8.4151 118.8320 61.5842 36.5682 170.3562 36 V 4.0791 8.1206 123.8394 61.8130 33.0896 177.4293 37 E 4.3808 9.3021 121.2139 57.2583 32.1185 176.2666 38 I 4.5141 7.8480 114.1305 62.0381 39.6462 170.3654 39 I 4.6299 7.8218 111.4050 61.3956 36.4101 171.8419 40 D 4.5925 8.4163 123.8040 54.3584 39.4894 177.0156 41 Q 4.7422 8.6324 116.4820 55.0022 29.6230 178.6104 42 K 4.6431 8.3859 119.3364 54.0932 35.1919 179.3084 43 K 4.9803 7.5900 123.6633 56.2374 33.6752 180.8774 44 V 4.1876 7.5642 121.6219 61.7123 31.5627 178.3341 45 L 4.7890 8.0831 115.0854 55.9653 41.9150 172.3180 46 I 5.1283 8.0313 130.2291 59.4008 33.4087 175.8091 47 D 4.9948 7.8673 126.0233 51.7940 42.5045 178.5818 48 G 3.8925 8.7656 113.9645 43.8393 0.0000 173.6378 49 P 4.2039 0.0000 0.0000 65.7997 30.8349 178.0354 50 K 4.1480 8.4133 118.1022 56.0961 31.7785 179.3227 51 A 4.6127 8.3352 118.0965 50.3878 20.2027 175.9834 52 G 4.6814 7.6490 113.9098 46.8425 0.0000 173.4633 53 V 4.2452 7.9764 121.9168 59.4702 35.8994 169.7682 54 P 4.9095 0.0000 0.0000 60.8443 30.4424 174.4355 55 R 4.5696 8.6461 118.2630 61.4364 33.1534 172.6609 56 Q 4.2093 8.5034 113.0964 56.4505 27.5593 170.2513 57 A 4.9138 7.9283 119.5666 51.9002 17.9852 176.3913 58 I 3.6333 7.5083 122.3990 61.1333 36.5009 177.0424 59 N 4.7804 8.3764 124.4447 51.9660 39.3485 176.1407 60 L 4.9955 7.5940 126.0626 54.7638 40.6516 174.6489 61 G 3.8930 7.4825 111.5596 45.2484 0.0000 171.2689 62 Q 4.4816 7.9854 120.9540 55.2477 26.6247 181.7477 63 V 4.1350 7.9658 119.2982 61.1604 31.4995 178.7296 64 V 4.6649 9.4087 118.5593 61.9736 32.9001 170.7299 65 L 3.7310 7.9813 120.8677 56.9134 38.1655 178.9659 66 T 4.1291 7.2023 114.1233 59.0506 72.1848 174.8740 67 P 4.5537 0.0000 0.0000 65.4189 29.8886 180.8676 68 L 4.5220 8.8070 124.0744 56.4147 42.3021 177.2675 69 T 4.4576 8.6110 108.1579 62.9695 72.0436 170.4496 *70 F 3.1765 9.4747 118.5831 57.9173 37.8196 178.0190 71 A 3.5706 8.7171 122.0486 55.2902 18.0505 181.0074 72 L 3.6843 8.2230 118.8230 55.9474 42.4073 179.6377 73 P 4.2069 0.0000 0.0000 64.1570 31.0432 181.4227 74 R 3.9464 7.8467 120.1127 59.3356 30.3247 179.4174 75 G 4.0785 9.4801 104.9710 45.6431 0.0000 173.4617 76 A 4.6854 9.1286 125.4077 54.0948 25.9449 180.3879 77 R 4.0353 8.1685 113.4136 59.0133 29.1325 179.4095 78 T 4.7107 8.5073 106.3556 61.9479 73.3580 180.3083 79 A 4.3140 8.0468 123.2303 55.4068 18.2741 177.9643 80 T 4.8034 7.5583 108.5077 62.7875 75.6848 183.1531 81 V 4.0216 7.6072 121.0401 59.5498 30.2598 184.9343 82 S 3.3037 9.0387 114.8647 60.0491 63.1978 174.6937 83 K 4.4646 7.5425 130.3466 60.2235 32.8325 180.8857 84 K 4.4362 8.8182 127.8933 59.7399 31.3668 181.9175 *85 W 4.5390 9.0201 118.1671 59.0405 27.9963 179.8561 86 A 4.9284 8.5335 122.3980 52.8797 19.7145 178.6403 87 A 4.3404 7.7003 127.8478 53.2509 19.8679 177.0541 88 A 4.0795 8.4107 117.9525 53.4316 19.5219 177.5223 89 A 3.5371 8.5590 120.6765 53.5375 17.5714 182.3196 90 V 3.1424 7.1768 113.4239 62.8198 34.5549 181.1528 91 C 4.0469 9.2774 119.7162 60.9450 28.1423 178.1473 92 E 4.3689 8.2406 115.3967 57.2891 29.2391 180.2374 93 K 4.3073 9.1909 123.2503 57.2680 32.9701 185.0000 *94 W 4.3021 7.9816 121.8359 61.5274 28.5073 179.6600 95 A 4.1222 7.8556 119.9578 55.1367 17.5447 179.1049 96 A 4.0103 8.5988 122.5515 54.9014 19.0227 179.8902 97 S 4.5432 8.3581 120.0860 62.9920 62.7558 182.6069 98 S 4.6435 7.6823 116.6411 59.1161 61.8329 178.0620 *99 W 4.1583 8.2514 122.1104 60.4247 27.8831 181.8899 100 A 4.2303 8.4650 128.8099 52.3040 15.7857 176.9647 101 K 4.6919 7.9880 125.6988 53.1581 35.5565 177.2534 102 K 4.1338 8.6861 116.3014 57.6294 31.0398 171.5499 103 I 4.0088 6.8908 120.1992 60.4201 34.3074 177.9465 104 A 4.2638 8.0162 135.0000 52.1561 25.5837 178.1207 105 Q 4.6353 8.2856 113.8867 55.0585 29.3378 179.2787 106 R 4.5398 7.9591 120.2145 57.8475 31.5492 180.9481 107 E 4.0555 8.0392 116.7017 61.9606 29.2076 184.7180 108 R 4.1523 8.2295 121.7244 62.8116 30.0138 180.9479 109 R 4.1195 8.2182 119.9695 60.9917 29.3528 180.8361 110 A 4.1510 8.7387 120.7312 54.9571 18.5386 179.1906 111 A 4.0007 8.8871 119.9789 55.1495 17.9091 179.8676 112 L 3.9007 6.6280 127.2670 59.6985 41.8587 181.8745 113 T 4.2384 8.7934 116.9393 66.9815 68.3505 179.7769 114 D 4.6621 9.0845 126.0831 58.9672 39.8327 181.4509 *115 F 4.3163 8.2562 123.5834 61.8663 37.9727 179.3037 116 E 4.5363 8.0080 118.6100 62.0263 30.0817 184.9124 117 R 4.2641 8.2411 124.1907 61.9384 29.3648 180.1490 *118 F 4.0423 8.6843 118.3757 64.1104 37.4972 181.7654 119 Q 4.3485 8.5175 121.0612 61.3326 28.3375 181.6734 120 V 3.8585 7.6680 123.0636 67.4403 31.5602 181.3781 121 M 4.3260 8.2446 122.0232 60.0926 31.3746 181.5355 122 V 3.9639 8.0740 122.5933 66.9562 31.4101 180.2498 123 L 4.3173 8.3908 125.2279 60.2164 40.4549 182.1176 124 R 4.4921 7.6366 123.1871 61.3671 30.7284 181.4715 125 K 4.6873 8.4796 127.5329 53.8343 28.2689 180.2134 126 Q 5.3538 8.5554 130.9226 56.0695 27.8490 175.9708 127 K 4.1442 5.6600 120.9424 54.5074 31.7224 180.2836 128 R 4.2621 7.6638 122.1000 56.7055 30.0956 175.5854 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 9 A 8.22 4.20 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 10 S 7.55 4.35 0.00 3.82 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 11 N 7.65 4.75 0.00 2.58 2.67 0.00 0.00 6.72 7.96 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 *12 W 7.80 4.49 0.00 2.49 2.13 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 13 R 8.10 4.44 0.00 1.76 1.68 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.00 14 L 8.43 4.87 0.00 1.60 1.27 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 15 V 7.86 4.27 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 0.78 0.00 0.00 0.93 0.00 0.00 16 E 8.02 4.70 0.00 2.04 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 2.19 2.11 0.00 17 V 8.00 4.36 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 0.93 0.00 0.00 0.93 0.00 0.00 18 G 8.27 4.17 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 0.00 19 R 8.75 4.85 0.00 1.86 1.92 0.00 3.25 0.00 0.00 3.37 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.91 0.00 20 V 9.29 3.69 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 0.81 0.00 0.00 0.93 0.00 0.00 21 V 7.52 5.18 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 0.81 0.00 0.00 0.93 0.00 0.00 22 L 8.93 5.27 0.00 1.64 1.51 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 23 I 8.17 4.03 1.87 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 1.27 0.32 0.91 0.00 0.00 24 K 8.38 5.25 0.00 1.87 1.16 0.00 1.71 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.14 0.69 7.81 25 K 8.41 4.36 0.00 1.76 1.64 0.00 1.92 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.05 7.81 26 G 7.91 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 0.00 0.00 0.00 27 Q 7.31 3.36 0.00 2.15 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 7.43 0.00 0.00 0.00 0.00 0.00 2.24 1.95 0.00 28 S 9.72 4.71 0.00 3.59 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 29 A 6.99 4.14 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 30 G 7.59 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 K 9.10 4.05 0.00 1.88 1.85 0.00 1.84 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.31 0.99 7.81 32 L 8.50 4.80 0.00 1.65 1.60 0.92 0.79 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 33 A 8.35 5.00 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 34 A 8.25 5.49 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 35 I 8.42 4.38 1.87 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 1.20 0.76 0.91 0.00 0.00 36 V 8.12 4.08 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 0.83 0.00 0.00 0.93 0.00 0.00 37 E 9.30 4.38 0.00 1.98 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 1.87 0.00 38 I 7.85 4.51 1.87 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 1.27 0.97 0.91 0.00 0.00 39 I 7.82 4.63 1.87 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 1.27 0.67 0.91 0.00 0.00 40 D 8.42 4.59 0.00 2.83 2.42 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 0.00 41 Q 8.63 4.74 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.82 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 42 K 8.39 4.64 0.00 1.74 1.65 0.00 1.87 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.27 1.22 7.81 43 K 7.59 4.98 0.00 1.76 1.63 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.11 0.78 7.81 44 V 7.56 4.19 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 0.86 0.00 0.00 0.93 0.00 0.00 45 L 8.08 4.79 0.00 1.27 1.52 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 46 I 8.03 5.13 1.87 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 1.08 0.71 0.91 0.00 0.00 47 D 7.87 4.99 0.00 2.43 2.44 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 48 G 8.77 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.20 0.00 2.10 2.01 0.00 3.75 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 1.95 1.64 0.00 50 K 8.41 4.15 0.00 1.77 1.74 0.00 1.61 0.00 0.00 0.93 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.36 0.96 7.81 51 A 8.34 4.61 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 52 G 7.65 4.68 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 0.00 0.00 0.00 53 V 7.98 4.25 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 0.66 0.00 0.00 0.93 0.00 0.00 54 P 0.00 4.91 0.00 2.08 1.66 0.00 3.82 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 1.95 1.61 0.00 55 R 8.65 4.57 0.00 1.85 1.57 0.00 3.19 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.95 0.00 56 Q 8.50 4.21 0.00 2.02 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.97 0.00 0.00 0.00 0.00 0.00 2.20 1.84 0.00 57 A 7.93 4.91 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 58 I 7.51 3.63 1.87 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 1.27 0.73 0.91 0.00 0.00 59 N 8.38 4.78 0.00 2.84 2.74 0.00 0.00 6.57 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 60 L 7.59 5.00 0.00 1.75 1.79 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.48 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 Q 7.99 4.48 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.85 0.00 0.00 0.00 0.00 0.00 2.08 1.71 0.00 63 V 7.97 4.14 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 0.86 0.00 0.00 0.93 0.00 0.00 64 V 9.41 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 0.79 0.00 0.00 0.93 0.00 0.00 65 L 7.98 3.73 0.00 1.71 1.68 0.92 0.81 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 66 T 7.20 4.13 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 67 P 0.00 4.55 0.00 2.08 1.15 0.00 3.71 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 1.95 1.62 0.00 68 L 8.81 4.52 0.00 1.66 1.49 0.92 0.68 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 69 T 8.61 4.46 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 *70 F 9.47 3.18 0.00 2.36 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 0.00 0.00 0.00 0.00 71 A 8.72 3.57 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 72 L 8.22 3.68 0.00 1.70 1.54 0.92 0.78 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 73 P 0.00 4.21 0.00 1.99 1.92 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.60 0.00 74 R 7.85 3.95 0.00 1.83 1.88 0.00 3.23 0.00 0.00 3.23 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.26 0.00 75 G 9.48 4.08 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 0.00 76 A 9.13 4.69 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 R 8.17 4.04 0.00 1.84 1.87 0.00 3.27 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 78 T 8.51 4.71 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 79 A 8.05 4.31 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 80 T 7.56 4.80 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 81 V 7.61 4.02 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 0.67 0.00 0.00 0.93 0.00 0.00 82 S 9.04 3.30 0.00 3.72 3.91 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 83 K 7.54 4.46 0.00 1.86 1.69 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.36 1.13 7.81 84 K 8.82 4.44 0.00 1.73 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.33 7.81 *85 W 9.02 4.54 0.00 2.60 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 0.00 0.00 0.00 0.00 86 A 8.53 4.93 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 87 A 7.70 4.34 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 88 A 8.41 4.08 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 89 A 8.56 3.54 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 V 7.18 3.14 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 0.72 0.00 0.00 0.93 0.00 0.00 91 C 9.28 4.05 0.00 2.71 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 92 E 8.24 4.37 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.87 0.00 93 K 9.19 4.31 0.00 1.68 1.73 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.32 1.24 7.81 *94 W 7.98 4.30 0.00 2.37 2.31 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 95 A 7.86 4.12 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 96 A 8.60 4.01 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 97 S 8.36 4.54 0.00 3.72 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 98 S 7.68 4.64 0.00 3.58 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *99 W 8.25 4.16 0.00 2.51 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 0.00 0.00 0.00 100 A 8.46 4.23 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.99 4.69 0.00 1.65 1.69 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.86 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 0.95 7.81 102 K 8.69 4.13 0.00 1.68 1.81 0.00 1.80 0.00 0.00 1.85 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.00 7.81 103 I 6.89 4.01 1.87 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 1.23 1.09 0.91 0.00 0.00 104 A 8.02 4.26 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 0.00 105 Q 8.29 4.64 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.81 0.00 0.00 0.00 0.00 0.00 2.18 1.88 0.00 106 R 7.96 4.54 0.00 1.69 1.92 0.00 3.24 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.15 0.00 107 E 8.04 4.06 0.00 1.96 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 2.32 1.96 0.00 108 R 8.23 4.15 0.00 1.81 2.00 0.00 3.22 0.00 0.00 3.37 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.32 0.00 109 R 8.22 4.12 0.00 1.81 1.92 0.00 3.26 0.00 0.00 3.34 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.27 0.00 110 A 8.74 4.15 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 0.00 0.00 0.00 0.00 0.00 111 A 8.89 4.00 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 0.00 112 L 6.63 3.90 0.00 1.76 1.65 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 113 T 8.79 4.24 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 0.00 114 D 9.08 4.66 0.00 2.63 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 *115 F 8.26 4.32 0.00 2.35 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 0.00 0.00 0.00 0.00 116 E 8.01 4.54 0.00 1.93 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 2.21 2.18 0.00 117 R 8.24 4.26 0.00 1.81 1.97 0.00 3.27 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 *118 F 8.68 4.04 0.00 2.27 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 0.00 119 Q 8.52 4.35 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.88 6.74 0.00 0.00 0.00 0.00 0.00 2.37 2.02 0.00 120 V 7.67 3.86 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 0.71 0.00 0.00 0.93 0.00 0.00 121 M 8.24 4.33 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 122 V 8.07 3.96 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 0.90 0.00 0.00 0.93 0.00 0.00 123 L 8.39 4.32 0.00 1.62 1.67 0.92 0.83 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 0.00 124 R 7.64 4.49 0.00 2.03 1.90 0.00 3.24 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.54 0.00 125 K 8.48 4.69 0.00 1.79 1.67 0.00 1.94 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 126 Q 8.56 5.35 0.00 2.17 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 7.38 0.00 0.00 0.00 0.00 0.00 2.04 1.65 0.00 127 K 5.66 4.14 0.00 1.93 1.70 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.40 1.29 7.81 128 R 7.66 4.26 0.00 1.76 1.63 0.00 3.26 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.10 0.00 * Residues marked with a * may have inaccurate shift predictions.