NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2297 8.3144 121.7902 56.1125 33.0883 174.8954 2 E 4.1049 8.4142 126.7516 53.6446 30.7337 174.5888 3 S 4.3940 8.7625 122.3763 57.6239 66.5369 174.7697 4 A 4.0395 8.4768 123.2566 55.3321 18.1135 179.7573 5 A 4.2872 8.2763 119.9442 54.7572 18.5266 179.5936 6 A 4.0531 8.1407 119.4575 55.0526 18.3723 179.8211 7 K 4.1836 8.2239 119.7348 58.9362 32.1773 178.9032 8 F 4.1221 8.4717 121.0176 61.3885 39.4003 176.9131 9 E 4.0517 8.5055 118.2467 59.5345 29.0643 179.4205 10 R 3.8963 7.9201 117.5250 59.5634 30.2436 178.2499 11 Q 3.9299 7.9932 116.8158 57.8282 29.0685 176.4646 12 H 4.5703 7.9214 114.1230 54.2696 30.7552 173.0618 13 M 4.7794 7.7243 119.7730 53.8873 33.9318 176.5121 14 D 4.7794 8.9608 123.2393 52.4035 41.7919 174.8153 15 S 4.4372 7.4591 115.3840 57.9064 63.9016 174.0576 16 G 3.9956 8.5575 116.9981 46.3737 0.0000 176.3935 *22 S 4.5352 8.6271 120.5506 57.5758 63.7998 173.8904 23 S 4.2770 8.9854 116.9106 60.7483 63.1599 174.4771 24 N 4.7461 8.0485 117.6047 53.3872 39.1196 175.6844 25 Y 4.0455 8.2046 121.1774 61.3418 38.6548 177.8035 26 C 4.1521 8.4157 117.0134 59.9660 40.0652 175.8156 27 N 4.3843 8.1220 116.7715 56.1790 38.2393 176.8318 28 L 4.0000 7.6076 120.5135 58.4886 42.3517 178.6153 29 M 3.8834 7.4523 117.4123 57.8727 33.2516 178.2405 30 M 4.3126 7.8643 119.8408 55.5075 27.5132 177.3256 *33 R 4.2608 7.3745 114.3493 54.8350 32.5098 176.0982 34 K 3.8648 7.9559 115.2415 58.2159 29.5869 175.6735 35 M 4.5452 8.3894 115.7555 55.3995 32.1764 177.3224 36 T 5.0925 8.1073 107.2006 60.1632 69.4494 173.0179 37 Q 4.6904 8.5295 120.0583 56.5014 30.2782 173.3961 38 G 4.1471 11.1174 112.6113 45.2246 0.0000 172.9333 39 K 3.4338 6.8843 115.7627 55.4367 34.9441 174.7431 40 C 4.7571 8.5386 117.6240 55.5045 40.7527 173.9336 41 K 4.1785 8.7353 127.5242 55.8242 32.3498 174.9176 42 P 4.5696 0.0000 0.0000 65.5163 32.5083 176.4053 43 V 5.0489 7.6139 117.8358 61.3594 34.7542 173.7993 44 N 4.8681 9.0553 124.0463 52.6796 42.8295 172.9358 45 T 4.8492 7.8031 119.6584 61.6145 72.2795 172.7048 46 F 4.8221 8.9079 124.2623 55.6613 42.0649 174.6414 47 V 4.4919 9.0253 122.7518 61.2473 34.0330 175.2794 48 H 5.7105 9.0815 124.3855 55.2111 30.1338 174.9624 49 E 4.7846 8.0554 119.0640 54.6914 31.3688 175.7793 50 S 4.4705 8.2321 115.0219 58.3253 64.9434 174.9700 51 L 4.0276 8.5689 124.2335 58.2952 41.9407 179.2455 52 A 3.9901 7.9689 120.3388 55.3539 18.2018 179.2274 53 D 4.3537 8.1635 116.4356 57.3094 41.1232 178.9448 54 V 3.8128 7.8854 118.9599 65.9367 31.7302 178.3119 55 K 3.9262 8.4648 118.2598 59.2156 31.9374 178.9381 56 A 4.0750 7.9215 120.1912 54.3506 18.1645 179.6469 57 V 3.7771 7.6866 117.2284 65.9769 31.3504 177.0363 58 C 3.8534 7.7510 114.7715 58.1491 39.8689 174.2236 59 S 4.5808 7.2717 113.8499 57.8159 63.9157 174.7945 60 Q 4.5557 7.6907 121.6799 56.2146 27.8549 176.7803 61 K 4.2372 8.6312 128.9053 56.9626 33.0793 176.2670 62 K 4.1955 8.6923 129.7283 56.5070 32.7877 176.0995 63 V 4.5534 8.1885 119.5281 59.8951 36.1820 175.1145 64 T 4.1253 8.2642 118.2800 63.3760 69.3107 175.8536 65 C 4.7363 8.9238 122.3945 56.1435 41.1984 175.2466 66 K 3.7617 9.2652 122.5820 59.5624 31.6582 178.1203 67 N 4.5228 7.9788 113.2368 52.9988 37.7230 175.5675 68 G 4.0084 8.0900 107.8977 45.6715 0.0000 174.3848 69 Q 4.1962 8.4808 119.1364 56.3292 29.3147 176.5459 70 T 4.4806 8.2770 107.8059 61.6218 69.2502 173.8458 71 N 4.7829 7.8327 118.8471 54.1309 38.5007 174.9612 72 C 5.4208 7.6258 116.3236 56.6911 44.0955 172.7675 73 Y 5.2160 8.8881 118.1955 56.4678 42.3426 173.8176 74 Q 5.1366 9.1956 124.6047 53.9805 31.4704 175.0198 75 S 4.6272 8.8138 121.8762 58.4022 63.0822 174.9486 76 K 4.1661 9.5249 122.4097 59.0199 32.7250 176.9344 77 S 4.8018 7.6222 113.6200 56.0508 66.3078 173.3340 78 T 4.0431 7.9730 111.6795 62.1828 69.6388 173.4803 79 M 5.0240 9.0870 121.2582 53.5415 37.1823 174.8491 80 R 4.5609 9.4516 121.2570 55.9665 31.3212 175.9233 81 I 5.1101 8.8180 116.9457 59.4815 42.0994 174.2005 82 T 5.0625 8.7406 118.3534 62.0038 72.2185 172.8173 83 D 5.1598 9.4483 126.6776 53.1310 43.2458 174.7111 84 C 5.6061 9.2841 121.1048 55.3164 39.7421 173.1895 85 R 5.3420 8.9689 122.2187 53.9391 33.7376 174.5609 86 E 4.0069 9.1255 125.6696 56.7530 30.4745 176.7227 87 T 4.2959 8.5977 117.3273 60.4588 70.5980 176.0953 88 G 3.6264 8.6718 111.0266 48.5058 0.0000 175.0480 89 S 4.2668 7.3938 112.7003 59.3893 63.5437 174.6705 90 S 4.0036 7.3794 116.7141 58.4602 62.7107 173.7101 91 K 4.2033 8.7468 127.6343 55.5583 33.9066 174.0752 92 Y 4.3079 8.7558 128.0681 57.8764 38.9881 173.9334 93 P 3.1455 0.0000 0.0000 62.5608 31.8413 176.8674 94 N 4.7222 8.0050 119.3665 52.2697 37.2702 173.7211 95 C 4.6937 7.8812 117.2546 56.8648 42.0204 173.2801 96 A 4.9968 8.1403 123.1358 50.9297 22.3948 174.9313 97 Y 5.1257 9.2725 119.2112 56.0269 42.2031 174.8261 98 K 4.5554 9.3438 124.2314 55.5210 34.1507 175.1029 99 T 5.1641 8.5758 123.8856 62.4971 70.5378 174.3107 100 T 4.5832 8.7435 122.2057 62.1326 72.3918 172.9636 101 Q 4.9078 8.7336 125.7213 55.2210 30.5484 175.4419 102 V 4.5046 8.6193 114.8622 60.6043 37.3062 172.8063 103 E 5.1611 8.6631 120.5754 54.9451 31.8242 175.7440 104 K 4.7555 8.7446 122.9794 55.1241 37.7561 175.3810 105 H 4.8649 9.1921 118.5762 55.7008 30.1113 174.9458 106 I 4.9109 8.4783 114.3250 59.2570 40.8576 174.3430 107 I 4.8986 8.4068 124.3311 59.7175 40.1532 175.0539 108 V 4.8082 8.7568 119.4364 59.3530 35.9865 174.6948 109 A 4.9205 8.8191 125.0952 51.4762 20.4278 175.8225 110 C 5.3837 8.9494 117.9981 55.5142 44.8655 173.5605 111 G 3.9987 9.2912 108.1324 46.3982 0.0000 173.3141 112 G 4.3607 9.1205 106.2862 44.8585 0.0000 172.5486 113 K 4.5950 8.0092 116.9021 53.4920 34.1296 175.0390 114 P 4.3650 0.0000 0.0000 62.0394 32.0339 176.0444 115 S 4.6535 8.3260 114.8075 58.4497 62.6599 173.5038 116 V 4.5357 8.6511 119.7693 58.4354 36.2694 173.3103 117 P 4.4168 0.0000 0.0000 63.0543 31.7638 177.2565 118 V 4.6124 8.4100 115.6568 60.7040 33.6365 175.0202 119 H 4.7216 7.7590 117.3326 55.4421 33.1756 172.3884 120 F 4.5981 8.9809 128.5030 57.5526 39.1136 174.3777 121 D 4.6003 8.4222 127.2670 56.3882 42.0570 175.8140 122 A 4.5795 6.4283 117.4795 51.5557 22.2971 175.0235 123 S 5.2666 8.8876 113.4184 56.6518 66.3420 174.6327 124 V 4.1385 8.8640 120.7283 62.1867 31.5151 174.7356 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 K 8.31 4.23 0.00 1.72 1.79 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.51 7.81 2 E 8.41 4.10 0.00 2.14 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 2.38 2.39 0.00 3 S 8.76 4.39 0.00 4.11 4.01 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 4 A 8.48 4.04 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 5 A 8.28 4.29 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 6 A 8.14 4.05 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 7 K 8.22 4.18 0.00 2.06 2.07 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.41 7.81 8 F 8.47 4.12 0.00 3.24 3.25 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 9 E 8.51 4.05 0.00 2.31 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 2.55 2.73 0.00 10 R 7.92 3.90 0.00 1.82 1.95 0.00 3.36 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 11 Q 7.99 3.93 0.00 1.44 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.48 0.00 0.00 0.00 0.00 0.00 2.24 2.50 0.00 12 H 7.92 4.57 0.00 2.10 2.71 0.00 5.61 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 M 7.72 4.78 0.00 2.10 2.18 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.69 0.00 14 D 8.96 4.78 0.00 2.72 2.62 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 0.00 0.00 0.00 0.00 15 S 7.46 4.44 0.00 3.83 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 16 G 8.56 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 0.00 0.00 0.00 *22 S 8.63 4.54 0.00 3.96 4.06 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 23 S 8.99 4.28 0.00 4.03 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 24 N 8.05 4.75 0.00 2.79 2.88 0.00 0.00 6.75 7.48 0.00 0.00 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 Y 8.20 4.05 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 26 C 8.42 4.15 0.00 3.17 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 27 N 8.12 4.38 0.00 2.90 2.93 0.00 0.00 6.84 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 28 L 7.61 4.00 0.00 1.54 1.61 0.85 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 29 M 7.45 3.88 0.00 0.93 1.23 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.49 0.00 30 M 7.86 4.31 0.00 1.63 1.71 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 1.00 2.36 0.00 *33 R 7.37 4.26 0.00 1.97 2.14 0.00 3.71 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 34 K 7.96 3.86 0.00 1.90 1.90 0.00 1.86 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.39 7.81 35 M 8.39 4.55 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.38 0.00 36 T 8.11 5.09 4.42 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 1.42 0.00 0.00 37 Q 8.53 4.69 0.00 2.25 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.58 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 38 G 11.12 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 0.00 0.00 0.00 39 K 6.88 3.43 0.00 1.68 1.60 0.00 1.42 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.38 7.81 40 C 8.54 4.76 0.00 3.11 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 41 K 8.74 4.18 0.00 1.82 1.78 0.00 1.76 0.00 0.00 1.65 0.00 0.00 3.22 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.39 7.81 42 P 0.00 4.57 0.00 2.19 2.31 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.98 0.00 43 V 7.61 5.05 2.11 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 0.79 0.00 0.00 0.98 0.00 0.00 44 N 9.06 4.87 0.00 2.64 2.25 0.00 0.00 6.83 6.79 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 45 T 7.80 4.85 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 0.92 0.00 0.00 46 F 8.91 4.82 0.00 3.02 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 47 V 9.03 4.49 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 1.14 0.00 0.00 1.08 0.00 0.00 48 H 9.08 5.71 0.00 3.16 3.25 0.00 5.66 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.06 4.78 0.00 2.05 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 2.39 2.27 0.00 50 S 8.23 4.47 0.00 4.07 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 51 L 8.57 4.03 0.00 1.84 1.75 1.03 1.15 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 52 A 7.97 3.99 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 53 D 8.16 4.35 0.00 2.84 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 54 V 7.89 3.81 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 1.27 0.00 0.00 1.06 0.00 0.00 55 K 8.46 3.93 0.00 1.80 1.80 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.64 7.81 56 A 7.92 4.07 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 57 V 7.69 3.78 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 1.14 0.00 0.00 1.08 0.00 0.00 58 C 7.75 3.85 0.00 2.93 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 0.00 0.00 0.00 0.00 59 S 7.27 4.58 0.00 3.88 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 60 Q 7.69 4.56 0.00 2.24 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 61 K 8.63 4.24 0.00 1.83 1.86 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.75 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.42 1.39 7.81 62 K 8.69 4.20 0.00 1.73 1.57 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.59 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.03 0.61 7.81 63 V 8.19 4.55 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 0.68 0.00 0.00 0.84 0.00 0.00 64 T 8.26 4.13 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 1.24 0.00 0.00 65 C 8.92 4.74 0.00 3.14 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 66 K 9.27 3.76 0.00 1.72 1.89 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.68 1.55 7.81 67 N 7.98 4.52 0.00 2.81 2.91 0.00 0.00 6.28 7.00 0.00 0.00 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 G 8.09 4.01 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 0.00 0.00 0.00 69 Q 8.48 4.20 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.71 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 70 T 8.28 4.48 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 1.16 0.00 0.00 71 N 7.83 4.78 0.00 2.97 3.07 0.00 0.00 6.04 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 72 C 7.63 5.42 0.00 2.88 2.91 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 73 Y 8.89 5.22 0.00 2.85 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 74 Q 9.20 5.14 0.00 2.05 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 75 S 8.81 4.63 0.00 3.93 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 76 K 9.52 4.17 0.00 1.89 2.02 0.00 1.56 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.43 7.81 77 S 7.62 4.80 0.00 3.82 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 78 T 7.97 4.04 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 79 M 9.09 5.02 0.00 1.93 1.98 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 80 R 9.45 4.56 0.00 1.86 1.91 0.00 3.06 0.00 0.00 3.22 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 81 I 8.82 5.11 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.88 1.04 0.00 0.00 82 T 8.74 5.06 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 1.27 0.00 0.00 83 D 9.45 5.16 0.00 2.58 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 84 C 9.28 5.61 0.00 2.86 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 85 R 8.97 5.34 0.00 1.80 1.83 0.00 3.18 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 86 E 9.13 4.01 0.00 2.06 1.75 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 2.05 1.72 0.00 87 T 8.60 4.30 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 1.19 0.00 0.00 88 G 8.67 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 89 S 7.39 4.27 0.00 3.80 3.98 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 90 S 7.38 4.00 0.00 3.86 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 91 K 8.75 4.20 0.00 1.80 1.61 0.00 1.71 0.00 0.00 1.57 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.38 7.81 92 Y 8.76 4.31 0.00 2.97 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 93 P 0.00 3.15 0.00 1.74 1.20 0.00 3.64 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.75 0.00 94 N 8.01 4.72 0.00 2.79 2.74 0.00 0.00 7.05 7.70 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 95 C 7.88 4.69 0.00 3.11 3.08 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 96 A 8.14 5.00 1.13 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 97 Y 9.27 5.13 0.00 2.96 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 98 K 9.34 4.56 0.00 1.82 1.83 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.44 7.81 99 T 8.58 5.16 4.32 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 1.30 0.00 0.00 100 T 8.74 4.58 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 1.23 0.00 0.00 101 Q 8.73 4.91 0.00 1.90 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.33 0.00 102 V 8.62 4.50 2.11 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 0.75 0.00 0.00 0.96 0.00 0.00 103 E 8.66 5.16 0.00 1.81 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 0.00 2.20 2.30 0.00 104 K 8.74 4.76 0.00 1.75 1.95 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.46 7.81 105 H 9.19 4.86 0.00 3.22 3.23 0.00 5.57 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.48 4.91 1.81 0.00 0.00 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 1.29 0.78 1.14 0.00 0.00 107 I 8.41 4.90 1.71 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.70 0.86 0.00 0.00 108 V 8.76 4.81 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 0.76 0.00 0.00 0.88 0.00 0.00 109 A 8.82 4.92 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 0.00 110 C 8.95 5.38 0.00 2.88 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 0.00 111 G 9.29 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 0.00 0.00 0.00 112 G 9.12 4.36 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 0.00 113 K 8.01 4.60 0.00 1.69 1.71 0.00 1.76 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.32 7.81 114 P 0.00 4.36 0.00 2.14 2.03 0.00 3.76 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 115 S 8.33 4.65 0.00 3.85 3.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.65 4.54 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 0.71 0.00 0.00 0.94 0.00 0.00 117 P 0.00 4.42 0.00 0.49 0.95 0.00 3.29 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.83 0.00 118 V 8.41 4.61 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 0.67 0.00 0.00 0.93 0.00 0.00 119 H 7.76 4.72 0.00 3.28 3.15 0.00 5.85 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 0.00 120 F 8.98 4.60 0.00 2.53 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 0.00 121 D 8.42 4.60 0.00 2.65 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 0.00 122 A 6.43 4.58 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 0.00 123 S 8.89 5.27 0.00 3.97 4.09 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 0.00 124 V 8.86 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 0.76 0.00 0.00 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.