NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7016 8.3501 109.7363 45.3502 0.0000 176.9435 *2 A 4.0868 8.6501 124.5058 51.8946 19.2023 177.2753 3 T 4.2995 8.2628 107.9572 62.1356 69.4190 174.7711 4 V 4.5555 7.1560 114.4100 59.3003 35.7217 175.1347 5 R 4.0891 8.3303 117.4865 56.1086 30.1255 176.2140 6 L 4.7197 8.0797 119.8011 52.9475 42.6896 176.3294 7 L 4.3148 8.6345 125.7395 54.8964 42.3094 177.4144 8 D 4.6905 8.7358 123.1790 52.2149 41.7341 177.1764 9 D 4.2122 8.6647 117.8103 57.1678 40.4333 178.7348 10 A 3.9448 7.9186 120.1054 55.3242 18.6155 179.0939 11 E 4.0114 8.8431 117.3397 59.6802 29.5277 179.7159 12 I 3.5738 7.6960 119.7285 64.1139 36.7610 178.3180 13 S 4.1146 7.8419 116.0590 61.3601 62.7355 175.5801 14 T 4.4376 7.3014 107.8165 61.1887 68.8855 175.1282 15 L 4.5613 7.7349 126.8070 52.4510 41.9645 175.5637 16 P 4.2408 0.0000 0.0000 67.4424 30.4870 177.2685 17 E 4.2184 8.1368 117.9652 59.0348 29.4115 179.4985 18 V 3.5850 7.6424 117.8525 65.6763 31.8352 177.8867 19 K 3.9316 8.7845 119.6102 59.2290 31.9649 178.3488 20 A 4.0079 8.0976 121.2851 55.3362 18.1242 179.8805 21 V 3.4489 7.3348 116.0432 66.1312 31.6535 178.3385 22 F 3.2952 8.3605 117.5306 60.3670 38.6835 177.4088 23 D 4.2908 8.7053 118.9152 57.3758 40.6290 178.3416 24 D 4.3348 7.9045 118.4944 57.2935 41.1849 178.2711 25 I 2.6128 7.5906 121.0735 64.0549 36.7461 178.7204 26 R 4.0155 8.0407 119.9340 58.6603 29.7000 178.9689 27 A 4.0258 8.1926 119.7609 55.2430 18.3356 179.4779 28 T 4.1664 7.6202 113.6010 66.3308 69.2759 176.7039 29 R 4.3784 8.2729 117.8920 55.3833 30.1881 177.7877 30 G 4.0199 7.7551 106.3492 45.8717 0.0000 173.3859 31 S 4.7580 7.5437 114.3971 56.6949 65.5246 175.2143 32 D 4.3695 8.6340 122.8632 55.3779 40.0120 177.7491 33 F 4.5241 7.9088 120.9369 58.1009 39.4979 174.4366 34 V 3.8390 7.8589 128.0277 60.4929 33.0952 174.9540 35 N 4.3551 8.0152 124.3040 51.9266 38.5590 175.6621 36 N 4.3558 8.8511 115.7091 56.1412 38.3814 177.1475 37 I 3.2559 7.3807 120.3647 64.1366 37.9348 177.8998 38 W 4.2452 7.3941 119.2197 59.8087 28.7576 178.8288 39 R 4.3562 8.3235 117.7248 58.8456 29.3792 179.2128 40 G 3.5345 8.0343 105.9446 47.6920 0.0000 176.0100 41 L 4.0900 8.1751 121.3403 57.1154 41.3672 179.1989 42 A 4.2617 7.9204 119.5960 54.4950 18.3030 178.8943 43 N 4.6095 7.9226 114.5479 54.5172 39.6501 174.5686 44 D 4.8386 8.0283 120.3748 50.6239 41.3250 173.7556 45 P 4.2765 0.0000 0.0000 65.2374 31.4300 177.4885 46 A 4.0133 7.9978 118.7539 55.2104 18.3340 179.2996 47 L 3.9247 8.1243 118.3509 57.9900 42.1740 178.3783 48 L 4.2266 8.3734 123.0538 58.9919 41.9450 179.8379 49 K 4.1361 8.3451 123.2338 60.0287 31.8550 180.9224 50 R 4.1990 8.3138 119.9758 59.4707 30.0357 179.4303 51 T 4.0122 8.4839 115.6529 66.3864 68.4514 176.5464 52 W 4.4745 8.7378 130.3839 60.7015 30.7524 177.4841 53 E 3.6791 8.5782 118.8606 59.6963 28.8466 179.5776 54 Q 3.9472 7.9429 117.2642 58.9337 28.5751 179.0194 55 V 3.5858 7.5732 117.9099 65.8575 31.6378 177.8837 56 K 3.6278 7.0777 117.1252 59.6005 31.8952 179.1483 57 T 3.9317 7.3923 114.4305 66.4551 68.5017 176.1628 58 V 3.8188 7.5518 116.7288 62.6378 31.8613 175.6032 *60 V 3.6523 7.2458 116.6112 64.4621 32.3379 174.6689 61 G 3.7608 8.7981 115.0279 44.5980 0.0000 172.8276 62 E 4.0610 8.6069 114.8655 55.9557 30.2952 172.6143 63 G 3.9610 7.8356 109.4065 44.7465 0.0000 172.1748 64 A 3.9559 8.5765 122.7170 53.1669 18.8181 177.4498 65 L 4.0779 8.5471 121.5099 54.8799 41.2381 174.7753 66 D 4.6442 8.1629 120.2665 52.5254 41.7649 175.5372 67 P 4.2557 0.0000 0.0000 65.8363 31.0481 178.7870 68 L 3.9801 7.7748 117.7489 58.4166 42.2218 178.5729 69 T 4.0340 8.5018 114.9451 66.6956 68.6908 176.4440 70 R 4.1764 8.0172 119.9181 59.1159 30.0166 179.8592 71 E 4.1858 8.1129 116.9494 56.7578 29.5559 178.4622 *73 I 4.0795 7.7565 119.9582 61.0330 39.4956 177.4607 74 Y 3.8510 8.1557 120.7268 60.4957 38.5031 177.7952 75 L 4.0421 8.4895 121.4878 58.0386 42.1862 178.8505 76 A 3.9572 7.9523 120.2224 55.1230 18.3641 179.4866 77 V 3.4779 7.7897 116.7092 66.4281 31.5769 178.3475 78 S 4.1417 8.0854 114.7251 61.8620 62.5179 177.0629 79 T 3.8414 8.0000 118.1546 66.6998 68.0951 176.8241 80 A 4.0016 7.8823 121.1736 55.0266 18.4750 178.6145 81 N 4.4986 8.3078 112.6024 53.2413 38.7349 175.3904 82 S 3.7328 7.9595 114.2171 59.4887 61.5961 170.5247 83 C 4.5718 8.0446 119.4396 54.9142 38.2623 173.4234 84 S 4.0879 8.6253 123.3280 61.6942 62.0910 175.1201 85 Y 4.0501 8.0990 121.6243 61.0882 38.5786 178.6712 86 C 4.7547 8.7154 118.0253 59.3201 38.6606 175.7585 87 A 3.9895 8.2299 122.4946 55.4496 17.9968 179.3208 88 H 4.0115 8.0002 114.5345 59.0783 28.8468 178.2480 89 S 3.9480 8.0332 116.2409 61.7148 62.8394 175.8927 90 H 4.5181 8.3457 119.0429 57.7060 28.6007 177.8879 91 T 3.8590 7.9687 118.1459 66.3105 68.1675 176.4969 92 A 3.9293 8.1256 122.5066 55.0858 18.4062 179.4660 93 A 3.9064 8.2035 119.2481 55.3626 18.2453 179.7120 94 A 3.9443 7.8264 117.9523 55.2846 18.6284 179.8001 95 R 3.9775 8.0542 116.3491 59.4608 29.9795 179.2204 96 A 4.0392 8.0793 119.3160 54.5764 18.3180 178.7046 97 K 4.5391 7.8690 115.4354 55.2290 32.2896 176.1348 98 G 3.6595 7.8271 110.6501 46.5083 0.0000 174.2693 *100 T 4.1346 8.0804 114.8790 60.4579 71.2389 172.6859 101 P 4.2476 0.0000 0.0000 66.0747 31.1504 178.6933 102 A 3.9928 7.9446 118.6173 55.3189 18.4081 179.5536 103 Q 3.9637 7.9812 116.1277 59.3618 28.7851 178.4591 104 H 4.2439 8.4341 119.0753 59.2397 29.8691 177.2214 105 A 3.9578 8.0549 122.7205 55.0667 18.1227 179.2505 106 E 3.9427 8.0257 117.9577 59.0318 29.5976 179.1390 107 V 3.5766 7.9407 118.4816 66.0005 31.5531 177.9684 108 L 3.9553 7.9798 118.4551 57.8034 41.4439 179.4132 109 A 3.9823 8.0473 120.6437 55.2385 18.2293 179.8095 110 I 3.6894 8.0532 118.5260 64.4636 37.1177 178.7364 111 I 3.8026 8.1603 121.1658 64.3718 37.0311 178.7771 112 G 3.5738 8.3862 106.8950 47.5521 0.0000 175.6155 113 L 3.9385 8.0010 122.5368 57.8838 42.1216 178.8657 114 A 3.9554 8.3616 120.9290 55.0741 18.2916 179.2075 115 A 3.9103 8.1585 119.3783 55.4380 18.3685 179.7609 116 Q 3.8477 7.8581 117.5018 59.6179 29.1786 178.4843 117 T 3.8907 8.0375 110.9239 64.7068 68.7904 176.0258 118 N 4.2507 8.3963 119.3159 56.1793 38.6688 177.0787 119 A 4.0074 7.9300 121.8556 55.2494 18.2282 179.7395 120 L 3.9598 7.8698 116.4545 57.9237 41.8733 179.5872 121 V 3.7484 8.1910 118.6453 66.1730 31.1967 178.3183 122 T 3.9245 7.7877 114.6018 66.3767 68.3415 177.0304 123 A 4.0318 7.5759 117.3865 52.8929 19.1775 178.0470 *125 Q 4.0900 7.8511 116.4479 57.0130 29.8886 176.4430 126 I 3.8273 7.5591 118.9611 60.7146 37.9910 175.4157 127 P 4.5363 0.0000 0.0000 61.8330 32.2856 176.0624 128 V 3.8691 8.1479 119.9408 62.5088 32.3530 175.7426 129 D 4.3429 8.8407 126.9545 54.4102 41.3805 177.3061 130 E 3.9184 8.7343 123.3644 58.9321 30.4491 178.6774 131 A 3.9452 7.8485 121.6532 55.1935 18.4282 179.0988 132 F 4.7586 7.5309 112.2827 59.4273 39.0074 175.9992 133 L 4.5725 7.6277 119.1149 54.5093 42.6573 176.6663 134 V 3.7835 7.3252 122.6523 63.0519 31.3726 175.3660 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 0 G 8.35 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.65 4.09 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 3 T 8.26 4.30 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 4 V 7.16 4.56 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.90 0.00 0.00 5 R 8.33 4.09 0.00 1.91 1.92 0.00 3.00 0.00 0.00 3.21 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 6 L 8.08 4.72 0.00 1.55 1.68 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.63 4.31 0.00 1.43 1.48 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 8 D 8.74 4.69 0.00 2.78 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 D 8.66 4.21 0.00 2.69 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 10 A 7.92 3.94 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 11 E 8.84 4.01 0.00 2.03 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 2.29 2.45 0.00 12 I 7.70 3.57 1.66 0.00 0.00 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.37 0.54 0.00 0.00 13 S 7.84 4.11 0.00 3.97 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 14 T 7.30 4.44 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 15 L 7.73 4.56 0.00 1.74 1.57 0.87 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.24 0.00 2.07 2.07 0.00 3.73 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.70 0.00 17 E 8.14 4.22 0.00 2.11 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 1.93 0.00 18 V 7.64 3.59 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 0.93 0.00 0.00 0.99 0.00 0.00 19 K 8.78 3.93 0.00 1.99 1.77 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.61 1.44 7.81 20 A 8.10 4.01 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 21 V 7.33 3.45 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 0.66 0.00 0.00 1.01 0.00 0.00 22 F 8.36 3.30 0.00 3.03 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 23 D 8.71 4.29 0.00 2.83 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 24 D 7.90 4.33 0.00 2.99 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 25 I 7.59 2.61 0.97 0.00 0.00 -1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.07 0.00 0.00 26 R 8.04 4.02 0.00 1.95 1.93 0.00 3.12 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.51 0.00 27 A 8.19 4.03 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 28 T 7.62 4.17 4.69 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 1.38 0.00 0.00 29 R 8.27 4.38 0.00 1.85 1.95 0.00 3.08 0.00 0.00 3.15 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 30 G 7.76 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 31 S 7.54 4.76 0.00 3.91 3.70 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.63 4.37 0.00 2.74 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 33 F 7.91 4.52 0.00 2.88 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 34 V 7.86 3.84 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 0.14 0.00 0.00 0.66 0.00 0.00 35 N 8.02 4.36 0.00 3.05 2.84 0.00 0.00 6.26 6.96 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 36 N 8.85 4.36 0.00 2.85 2.88 0.00 0.00 6.40 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 37 I 7.38 3.26 1.48 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.95 0.01 0.00 0.00 38 W 7.39 4.25 0.00 3.15 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 8.32 4.36 0.00 2.08 2.23 0.00 3.37 0.00 0.00 3.54 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.95 0.00 40 G 8.03 3.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 L 8.18 4.09 0.00 1.99 1.86 0.71 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 42 A 7.92 4.26 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 N 7.92 4.61 0.00 2.67 2.90 0.00 0.00 6.67 9.15 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 44 D 8.03 4.84 0.00 2.74 2.54 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 45 P 0.00 4.28 0.00 2.22 2.15 0.00 3.68 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.20 0.00 46 A 8.00 4.01 1.40 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 0.00 0.00 0.00 47 L 8.12 3.92 0.00 1.92 1.92 0.96 0.52 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 48 L 8.37 4.23 0.00 2.14 2.03 1.33 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.35 4.14 0.00 1.80 1.80 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.90 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.36 7.81 50 R 8.31 4.20 0.00 2.06 2.08 0.00 3.12 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.92 0.00 51 T 8.48 4.01 4.59 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 1.37 0.00 0.00 52 W 8.74 4.47 0.00 3.15 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 53 E 8.58 3.68 0.00 2.25 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 2.34 2.25 0.00 54 Q 7.94 3.95 0.00 2.37 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 55 V 7.57 3.59 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 1.34 0.00 0.00 56 K 7.08 3.63 0.00 1.32 1.49 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.43 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.70 0.21 7.81 57 T 7.39 3.93 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 1.17 0.00 0.00 58 V 7.55 3.82 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 0.84 0.00 0.00 0.95 0.00 0.00 *60 V 7.25 3.65 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 0.81 0.00 0.00 0.85 0.00 0.00 61 G 8.80 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 0.00 0.00 0.00 62 E 8.61 4.06 0.00 2.00 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 2.23 1.88 0.00 63 G 7.84 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 64 A 8.58 3.96 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 65 L 8.55 4.08 0.00 1.85 1.78 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 66 D 8.16 4.64 0.00 2.95 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.26 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 68 L 7.77 3.98 0.00 1.76 1.70 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 69 T 8.50 4.03 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 1.22 0.00 0.00 70 R 8.02 4.18 0.00 2.08 2.05 0.00 3.15 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 71 E 8.11 4.19 0.00 2.25 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 *73 I 7.76 4.08 2.06 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.82 0.89 0.00 0.00 74 Y 8.16 3.85 0.00 3.20 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 75 L 8.49 4.04 0.00 1.94 1.71 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.95 3.96 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.79 3.48 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 0.97 0.00 0.00 0.83 0.00 0.00 78 S 8.09 4.14 0.00 4.14 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 8.00 3.84 4.41 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 1.22 0.00 0.00 80 A 7.88 4.00 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 81 N 8.31 4.50 0.00 2.68 2.87 0.00 0.00 7.00 7.59 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 82 S 7.96 3.73 0.00 3.99 3.95 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 83 C 8.04 4.57 0.00 3.09 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 84 S 8.63 4.09 0.00 3.98 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 85 Y 8.10 4.05 0.00 3.07 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 86 C 8.72 4.75 0.00 3.28 3.33 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 87 A 8.23 3.99 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 88 H 8.00 4.01 0.00 3.21 3.19 0.00 5.63 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 89 S 8.03 3.95 0.00 3.84 3.57 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 0.00 0.00 0.00 0.00 90 H 8.35 4.52 0.00 3.38 3.51 0.00 5.62 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 T 7.97 3.86 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 1.12 0.00 0.00 92 A 8.13 3.93 1.37 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 0.00 0.00 0.00 93 A 8.20 3.91 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 94 A 7.83 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 95 R 8.05 3.98 0.00 2.03 1.97 0.00 3.11 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 96 A 8.08 4.04 1.37 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 0.00 0.00 0.00 97 K 7.87 4.54 0.00 1.82 1.84 0.00 1.70 0.00 0.00 1.86 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.45 7.81 98 G 7.83 3.66 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 0.00 0.00 0.00 *100 T 8.08 4.13 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 101 P 0.00 4.25 0.00 2.18 2.19 0.00 3.61 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 2.13 2.20 0.00 102 A 7.94 3.99 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 0.00 103 Q 7.98 3.96 0.00 2.32 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 104 H 8.43 4.24 0.00 3.31 3.45 0.00 5.61 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 0.00 105 A 8.05 3.96 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 0.00 106 E 8.03 3.94 0.00 2.07 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 2.31 2.36 0.00 107 V 7.94 3.58 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 1.10 0.00 0.00 1.05 0.00 0.00 108 L 7.98 3.96 0.00 1.89 1.68 0.76 0.84 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 0.00 109 A 8.05 3.98 1.37 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 0.00 0.00 0.00 110 I 8.05 3.69 2.01 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 1.52 0.89 0.91 0.00 0.00 111 I 8.16 3.80 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.69 0.91 0.00 0.00 112 G 8.39 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 L 8.00 3.94 0.00 1.86 1.86 0.92 1.02 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 0.00 114 A 8.36 3.96 1.37 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 0.00 0.00 0.00 115 A 8.16 3.91 1.40 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 0.00 0.00 0.00 116 Q 7.86 3.85 0.00 2.15 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 117 T 8.04 3.89 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 1.24 0.00 0.00 118 N 8.40 4.25 0.00 2.98 2.91 0.00 0.00 6.89 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 A 7.93 4.01 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 0.00 120 L 7.87 3.96 0.00 1.78 1.75 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.19 3.75 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 1.04 0.00 0.00 0.96 0.00 0.00 122 T 7.79 3.92 4.38 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 1.21 0.00 0.00 123 A 7.58 4.03 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 *125 Q 7.85 4.09 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.87 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 126 I 7.56 3.83 1.90 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.76 0.95 0.00 0.00 127 P 0.00 4.54 0.00 2.19 2.05 0.00 3.78 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 128 V 8.15 3.87 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 1.02 0.00 0.00 0.99 0.00 0.00 129 D 8.84 4.34 0.00 1.71 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 0.00 0.00 0.00 130 E 8.73 3.92 0.00 2.04 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 2.38 1.88 0.00 131 A 7.85 3.95 1.04 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 0.00 132 F 7.53 4.76 0.00 3.21 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 0.00 133 L 7.63 4.57 0.00 1.78 1.72 0.95 0.73 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 0.00 134 V 7.33 3.78 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 0.71 0.00 0.00 0.97 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.