NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 R 4.2614 8.3545 119.0719 56.1631 32.3499 178.7751 9 R 4.3047 7.4434 118.7300 55.7180 31.8954 175.7363 10 C 4.8226 8.9489 110.8767 60.6788 33.5430 173.1879 11 Q 4.9495 8.6719 121.9803 55.0856 30.1031 174.7791 12 A 4.7220 8.8517 123.2815 50.7853 23.4665 174.6232 13 Q 5.0595 8.5497 117.6213 54.1576 31.3790 175.6359 14 V 4.5288 8.9287 122.9952 61.2451 34.7552 174.3741 15 S 5.4123 8.8313 122.4596 56.7651 66.6134 173.2582 16 R 4.6884 8.8999 122.3543 54.5698 33.3078 173.7209 17 R 5.2838 8.7481 126.0216 54.6865 32.2923 174.6566 18 I 5.0117 8.8969 118.6681 59.3314 41.7802 173.7738 19 S 5.4193 8.6673 116.0442 56.7143 66.1465 173.0839 20 F 5.2569 8.6214 114.6643 55.7267 41.8270 173.1247 21 S 5.2795 9.2825 116.3728 57.2859 64.8127 173.2073 22 A 5.2589 9.0120 124.8778 50.8617 22.7515 175.1609 23 S 5.2600 8.7867 114.7823 57.4438 66.4377 172.5314 24 H 4.8270 8.7945 115.7805 55.1781 32.2771 172.0896 25 R 4.7203 9.2611 118.7001 54.5506 32.9830 174.1245 26 L 4.0889 8.3857 126.7245 53.8639 42.3487 175.9911 27 Y 4.9851 7.9909 123.8632 56.5734 41.8310 173.3858 28 S 4.7543 9.3938 124.0990 56.9148 65.0610 174.6492 29 K 3.9752 8.5150 129.1387 57.7489 31.9700 179.8324 *30 F 4.2142 7.6497 116.9036 59.1617 38.0711 178.3292 31 L 4.6244 7.6863 118.9872 54.2690 42.7525 176.3703 32 S 4.8759 8.5912 118.1509 57.1338 66.2543 175.4694 33 D 4.5546 8.7910 126.0097 59.7882 39.1365 177.9078 34 E 4.2323 8.3897 118.9643 61.7459 29.7100 181.0962 35 E 4.2439 8.0422 117.9095 58.7520 29.5288 179.4104 36 N 4.5328 8.3406 117.2664 56.0705 38.6085 177.1673 37 L 4.0667 7.9014 124.2250 58.6523 42.0087 179.7472 38 K 3.9647 7.5639 122.7113 59.6295 31.6931 180.3830 39 L 4.1239 7.5033 120.1108 57.4165 42.2859 178.1870 40 F 4.8648 8.1514 115.9807 56.0738 39.9891 177.3591 41 G 3.9062 8.8731 108.3747 46.2270 0.0000 177.5271 42 K 3.9940 8.6547 122.9962 59.5295 32.6893 178.5565 43 C 4.0884 7.9397 117.2597 61.7312 28.0487 174.1491 44 N 4.8408 8.0416 117.2348 52.9016 38.8152 174.0916 45 N 4.1247 8.0227 116.3334 54.2118 39.2805 173.4160 46 P 4.1044 0.0000 0.0000 65.6837 31.5036 176.8168 47 N 4.5166 8.1048 112.1125 52.8479 38.6801 175.4276 48 G 3.8985 9.5525 106.2240 45.3630 0.0000 171.2509 49 H 4.8032 8.3811 112.8221 55.1251 32.2056 172.0820 50 G 4.4300 8.2341 104.4616 46.0632 0.0000 171.6608 51 H 4.7949 8.9596 115.3352 54.3770 33.6345 173.6157 52 N 4.9753 8.4992 119.4799 52.3401 38.0838 174.2221 53 Y 4.1707 8.5324 122.2222 57.5740 39.4929 174.9126 54 K 5.0434 8.9308 122.1645 54.6113 35.4909 175.2768 55 V 5.0431 9.2193 124.1085 61.1543 34.7530 174.0933 56 V 4.8609 9.2475 128.2513 61.2760 33.8485 174.1231 57 V 4.8287 8.8546 128.5047 61.5096 33.8176 174.2786 58 T 5.2465 9.1134 124.5836 61.9725 71.4527 173.7607 59 V 5.0281 9.0444 119.6424 59.9702 35.1785 174.1744 60 H 5.3515 9.6177 117.0970 53.6525 32.2240 173.2940 61 G 3.9246 7.5739 105.6102 45.2639 0.0000 171.1566 62 E 4.5918 7.8764 118.7182 56.0642 30.7066 176.8990 63 I 4.1410 8.6860 125.8932 61.1253 37.9924 175.4746 64 D 4.5918 9.1356 128.6192 53.5479 41.6212 175.2776 65 P 4.3712 0.0000 0.0000 64.3893 32.0069 176.8476 66 A 4.3809 8.2324 121.5512 53.8161 19.6228 177.8488 67 T 4.2618 8.8191 104.4151 60.8426 69.7583 176.2204 68 G 3.8780 8.3784 110.1409 46.0998 0.0000 173.1827 69 M 4.8000 7.2783 119.1377 53.2475 34.9737 176.9684 70 V 3.9824 8.2368 119.8211 64.6994 32.2884 176.1256 71 M 4.5730 7.7496 118.4798 54.3702 34.9959 173.6702 72 N 4.2328 9.0415 124.5220 53.6155 37.8267 175.3923 73 L 4.3666 8.5059 127.0096 56.7942 41.0895 175.0282 74 A 4.4593 7.9645 122.4288 56.1653 18.7311 179.8339 75 D 4.0351 8.0983 119.9951 58.0179 39.8848 182.3846 76 L 4.4047 7.8005 120.7127 57.8365 42.1643 178.5969 77 K 3.8503 7.6092 118.4907 59.6610 32.0221 178.9214 78 K 3.9294 7.6104 118.6052 59.5872 31.8630 179.0407 79 Y 4.2773 7.6128 117.0131 61.4890 37.7857 178.6194 80 M 4.1429 8.4191 119.7878 58.1448 32.0116 178.4145 81 E 3.9289 8.2298 119.6893 59.3261 29.6081 178.5742 82 E 3.9312 8.3361 118.2400 58.8642 29.8275 177.9570 83 A 4.2527 8.2965 119.7004 53.2714 19.2393 176.9756 84 I 4.2440 7.6827 115.6172 63.3713 39.8818 177.8345 85 M 3.9927 8.0059 118.8134 58.7595 32.2538 178.7717 86 Q 4.0037 8.1354 116.5299 58.5084 28.9201 176.7750 87 P 4.4729 0.0000 0.0000 64.3126 31.9318 176.6844 88 L 4.3517 7.5730 117.2678 54.9400 43.3855 176.4493 89 D 4.5778 8.0490 118.7537 55.2786 41.6920 175.4815 90 H 4.0924 9.2741 123.8332 57.3173 26.9237 174.4907 91 K 4.6467 7.7443 115.9054 54.4905 36.0974 175.2047 92 N 5.2369 9.2746 119.3089 51.3309 39.3211 175.8306 93 L 3.9530 8.9546 127.4561 58.0865 41.8285 179.5598 94 D 4.5163 7.8137 115.9797 56.4153 40.9850 177.0649 95 M 4.5290 8.1921 116.5993 55.4762 33.7771 176.1918 96 D 4.6598 8.4569 116.8138 53.9139 42.6105 176.2285 97 V 4.2623 7.3803 119.4838 60.2349 32.0952 173.9679 98 P 4.2651 0.0000 0.0000 65.8559 31.4840 178.0926 99 Y 3.9091 8.2243 118.5289 60.6651 38.5454 177.2362 100 F 4.6534 8.0559 115.3918 57.3414 39.0706 176.3934 101 A 4.2056 8.1819 126.9162 54.7222 18.1406 178.8589 102 D 4.8531 7.7341 112.6941 52.7399 40.1433 175.2233 103 V 4.2791 6.9858 120.0328 61.2612 34.1436 175.3392 104 V 3.7336 8.4227 127.1361 63.1177 32.1076 176.1334 105 S 4.3815 8.3747 124.0370 58.3186 63.2201 174.8149 106 T 4.1730 7.6048 110.9550 62.9164 70.8929 174.2211 107 T 3.9585 8.4981 118.4946 66.6935 68.4785 176.5312 108 E 3.9759 8.3146 120.1475 59.8980 29.4932 179.2411 109 N 4.5318 8.2145 115.6860 56.0038 38.4987 177.8131 110 V 3.8573 8.2563 120.0050 65.9712 31.5838 177.9148 111 A 4.1050 8.3481 120.7497 55.2021 18.1498 179.8157 112 V 3.0712 7.7501 116.7580 66.0016 31.5368 177.4889 113 Y 3.6873 8.3174 119.5365 60.7116 38.5733 178.2459 114 I 3.5186 8.1295 120.6742 64.0128 37.1802 177.9129 115 W 4.1835 8.4136 129.2357 60.9348 30.3073 177.6947 116 D 4.4157 8.3003 117.3069 57.4647 40.3914 178.2266 117 N 4.2102 7.8694 116.9652 56.2438 38.3797 177.4648 118 L 3.8636 7.8650 120.3076 57.5060 41.5374 179.2376 119 Q 3.8090 7.7308 116.8660 57.9824 28.6129 178.3308 120 K 4.1157 7.3710 118.9609 58.1441 32.1962 177.8626 121 V 4.2655 7.1551 109.0238 60.6080 33.9329 175.9017 122 L 3.6423 7.5796 120.1485 53.0436 42.0433 175.1416 123 P 4.3037 0.0000 0.0000 62.3635 31.8272 176.4375 124 V 3.5733 8.0063 119.3452 64.1988 31.9496 177.0901 125 G 3.8822 8.7428 113.1846 45.8290 0.0000 174.1534 126 V 4.0114 7.2155 120.6482 64.7778 32.9852 176.0805 127 L 3.9655 7.6801 121.8047 55.7725 41.6442 175.3657 128 Y 4.6901 8.8574 127.6447 58.9405 40.6168 175.6702 129 K 4.8675 7.8090 117.8759 55.2217 36.0821 174.4159 130 V 4.9652 9.0931 126.2452 61.0219 34.5871 173.9053 131 K 5.0754 9.3087 129.2477 54.5739 35.1799 174.6116 132 V 5.0404 8.9769 127.2398 61.4428 34.7181 173.5853 133 Y 4.8440 9.5029 126.5079 56.5828 38.5658 176.4108 134 E 3.4896 8.7598 126.9565 58.5014 29.8417 176.0811 135 T 4.6433 7.3155 106.6058 59.7628 72.0667 173.6976 136 D 4.5023 8.7903 120.1358 57.0365 40.6936 177.3659 137 N 4.8683 8.3188 113.6292 52.8493 39.6316 174.0224 138 N 5.0242 8.0736 115.4216 51.5154 41.9587 173.5190 139 I 4.8730 8.3584 123.6980 59.3178 41.2545 175.0309 140 V 4.4744 8.6927 125.1350 61.0120 34.6579 174.2475 141 V 4.9067 8.4153 126.1935 61.2237 34.0750 173.7691 142 Y 4.7354 9.1518 128.5826 55.4228 41.8044 175.6888 143 K 4.0528 7.3776 124.0776 55.8024 33.1761 177.0808 144 G 2.4455 5.3800 107.5481 45.5989 0.0000 174.7556 145 E 4.0674 6.7625 120.2850 55.6433 29.9594 180.3088 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 8 R 8.35 4.26 0.00 1.85 1.81 0.00 3.23 0.00 0.00 3.22 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.20 0.00 9 R 7.44 4.30 0.00 1.91 1.79 0.00 3.26 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.28 0.00 10 C 8.95 4.82 0.00 2.81 2.78 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 11 Q 8.67 4.95 0.00 1.87 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.24 0.00 12 A 8.85 4.72 1.18 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 13 Q 8.55 5.06 0.00 1.90 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.63 0.00 0.00 0.00 0.00 0.00 1.95 2.13 0.00 14 V 8.93 4.53 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 0.98 0.00 0.00 0.94 0.00 0.00 15 S 8.83 5.41 0.00 3.80 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 16 R 8.90 4.69 0.00 1.89 1.76 0.00 3.07 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.57 0.00 17 R 8.75 5.28 0.00 1.88 1.80 0.00 3.11 0.00 0.00 3.26 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.75 0.00 18 I 8.90 5.01 1.97 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.06 0.97 0.00 0.00 19 S 8.67 5.42 0.00 3.85 3.83 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 0.00 0.00 0.00 20 F 8.62 5.26 0.00 3.20 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 21 S 9.28 5.28 0.00 3.57 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 22 A 9.01 5.26 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.79 5.26 0.00 3.98 3.97 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 24 H 8.79 4.83 0.00 3.22 3.31 0.00 5.22 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 9.26 4.72 0.00 1.66 1.73 0.00 3.35 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.73 0.00 26 L 8.39 4.09 0.00 1.11 0.13 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 7.99 4.99 0.00 2.66 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 28 S 9.39 4.75 0.00 4.04 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 29 K 8.51 3.98 0.00 1.82 1.70 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.35 1.00 7.81 *30 F 7.65 4.21 0.00 2.27 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 31 L 7.69 4.62 0.00 2.08 1.70 0.92 0.82 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 32 S 8.59 4.88 0.00 4.10 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 33 D 8.79 4.55 0.00 2.70 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 34 E 8.39 4.23 0.00 1.96 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 2.00 0.00 35 E 8.04 4.24 0.00 2.14 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 0.00 2.32 2.35 0.00 36 N 8.34 4.53 0.00 3.16 3.08 0.00 0.00 6.47 6.08 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 37 L 7.90 4.07 0.00 1.76 1.82 0.94 0.69 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 38 K 7.56 3.96 0.00 1.84 1.71 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.32 7.81 39 L 7.50 4.12 0.00 1.41 1.31 0.68 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 40 F 8.15 4.86 0.00 3.33 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 41 G 8.87 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 0.00 0.00 0.00 42 K 8.65 3.99 0.00 1.89 2.07 0.00 1.52 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.36 7.81 43 C 7.94 4.09 0.00 3.22 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 44 N 8.04 4.84 0.00 2.85 3.04 0.00 0.00 7.05 7.31 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 45 N 8.02 4.12 0.00 2.96 2.72 0.00 0.00 7.16 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 46 P 0.00 4.10 0.00 2.03 2.04 0.00 3.69 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 1.99 2.06 0.00 47 N 8.10 4.52 0.00 2.69 2.82 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 48 G 9.55 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 0.00 0.00 0.00 49 H 8.38 4.80 0.00 3.14 3.36 0.00 5.27 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.23 4.43 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 0.00 51 H 8.96 4.79 0.00 1.94 2.53 0.00 5.61 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 52 N 8.50 4.98 0.00 2.50 2.71 0.00 0.00 7.00 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 53 Y 8.53 4.17 0.00 1.43 2.29 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 54 K 8.93 5.04 0.00 1.57 1.59 0.00 1.24 0.00 0.00 1.35 0.00 0.00 2.62 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.27 1.22 7.81 55 V 9.22 5.04 2.28 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 1.18 0.00 0.00 1.30 0.00 0.00 56 V 9.25 4.86 2.25 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 1.07 0.00 0.00 1.13 0.00 0.00 57 V 8.85 4.83 2.14 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 0.92 0.00 0.00 1.00 0.00 0.00 58 T 9.11 5.25 4.45 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 1.43 0.00 0.00 59 V 9.04 5.03 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 0.76 0.00 0.00 1.01 0.00 0.00 60 H 9.62 5.35 0.00 3.01 3.02 0.00 5.73 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.57 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 0.00 0.00 0.00 62 E 7.88 4.59 0.00 1.93 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 0.00 2.44 2.38 0.00 63 I 8.69 4.14 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.95 0.00 0.00 64 D 9.14 4.59 0.00 2.73 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.37 0.00 2.21 2.15 0.00 3.80 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 1.98 1.95 0.00 66 A 8.23 4.38 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 67 T 8.82 4.26 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 68 G 8.38 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 69 M 7.28 4.80 0.00 2.15 1.94 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.43 0.00 70 V 8.24 3.98 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 0.99 0.00 0.00 0.98 0.00 0.00 71 M 7.75 4.57 0.00 2.00 1.90 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.58 0.00 72 N 9.04 4.23 0.00 2.69 2.75 0.00 0.00 6.97 6.67 0.00 0.00 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 L 8.51 4.37 0.00 1.65 1.69 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.96 4.46 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 75 D 8.10 4.04 0.00 2.70 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 76 L 7.80 4.40 0.00 1.83 1.73 1.02 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.61 3.85 0.00 2.15 1.96 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.37 7.81 78 K 7.61 3.93 0.00 1.63 1.67 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.46 1.35 7.81 79 Y 7.61 4.28 0.00 3.13 2.82 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 80 M 8.42 4.14 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 81 E 8.23 3.93 0.00 2.18 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 2.30 2.36 0.00 82 E 8.34 3.93 0.00 2.27 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 2.32 2.19 0.00 83 A 8.30 4.25 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 84 I 7.68 4.24 2.01 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.02 0.80 0.00 0.00 85 M 8.01 3.99 0.00 2.07 2.34 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.54 0.00 86 Q 8.14 4.00 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.03 0.00 0.00 0.00 0.00 0.00 2.40 2.40 0.00 87 P 0.00 4.47 0.00 2.29 2.24 0.00 3.61 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 2.13 2.06 0.00 88 L 7.57 4.35 0.00 0.85 0.91 0.57 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.05 4.58 0.00 2.70 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 90 H 9.27 4.09 0.00 3.31 3.42 0.00 5.84 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 7.74 4.65 0.00 1.86 1.66 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.56 1.53 7.81 92 N 9.27 5.24 0.00 2.67 2.84 0.00 0.00 7.12 6.70 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 93 L 8.95 3.95 0.00 1.49 1.18 0.47 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 94 D 7.81 4.52 0.00 2.72 2.78 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 95 M 8.19 4.53 0.00 2.00 2.11 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 2.68 2.55 0.00 96 D 8.46 4.66 0.00 2.77 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 97 V 7.38 4.26 2.46 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 0.91 0.00 0.00 0.96 0.00 0.00 98 P 0.00 4.27 0.00 2.26 2.13 0.00 3.73 0.00 0.00 3.92 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 99 Y 8.22 3.91 0.00 2.86 2.50 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 0.00 100 F 8.06 4.65 0.00 3.29 3.01 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 0.00 101 A 8.18 4.21 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 0.00 102 D 7.73 4.85 0.00 2.61 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 0.00 103 V 6.99 4.28 1.74 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 0.77 0.00 0.00 0.47 0.00 0.00 104 V 8.42 3.73 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 0.83 0.00 0.00 1.01 0.00 0.00 105 S 8.37 4.38 0.00 3.56 3.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.60 4.17 4.48 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 0.00 0.00 0.00 1.31 0.00 0.00 107 T 8.50 3.96 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 1.33 0.00 0.00 108 E 8.31 3.98 0.00 2.09 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 0.00 2.43 2.51 0.00 109 N 8.21 4.53 0.00 3.19 3.22 0.00 0.00 6.74 7.09 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 0.00 110 V 8.26 3.86 2.28 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 1.10 0.00 0.00 0.74 0.00 0.00 111 A 8.35 4.10 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.75 3.07 1.96 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 0.91 0.00 0.00 0.13 0.00 0.00 113 Y 8.32 3.69 0.00 2.78 3.22 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 0.00 114 I 8.13 3.52 2.14 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 1.49 0.85 0.97 0.00 0.00 115 W 8.41 4.18 0.00 3.78 3.39 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 0.00 116 D 8.30 4.42 0.00 2.63 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 0.00 117 N 7.87 4.21 0.00 2.63 2.60 0.00 0.00 7.04 6.33 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 0.00 118 L 7.86 3.86 0.00 1.51 1.43 0.84 0.77 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 0.00 119 Q 7.73 3.81 0.00 1.88 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.01 0.00 0.00 0.00 0.00 0.00 1.77 2.31 0.00 120 K 7.37 4.12 0.00 1.76 1.79 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.55 7.81 121 V 7.16 4.27 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 0.74 0.00 0.00 0.81 0.00 0.00 122 L 7.58 3.64 0.00 1.30 1.32 0.64 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 123 P 0.00 4.30 0.00 1.99 1.97 0.00 3.50 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 124 V 8.01 3.57 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 0.97 0.00 0.00 0.90 0.00 0.00 125 G 8.74 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.22 4.01 2.19 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 0.91 0.00 0.00 0.92 0.00 0.00 127 L 7.68 3.97 0.00 1.20 0.99 0.76 -0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.86 4.69 0.00 2.65 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 0.00 129 K 7.81 4.87 0.00 1.46 1.66 0.00 1.79 0.00 0.00 1.77 0.00 0.00 2.77 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.44 1.30 7.81 130 V 9.09 4.97 2.46 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 1.17 0.00 0.00 1.21 0.00 0.00 131 K 9.31 5.08 0.00 1.88 1.71 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.57 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.12 1.20 7.81 132 V 8.98 5.04 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 1.30 0.00 0.00 1.09 0.00 0.00 133 Y 9.50 4.84 0.00 2.81 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 0.00 134 E 8.76 3.49 0.00 1.87 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 1.64 1.69 0.00 135 T 7.32 4.64 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 1.14 0.00 0.00 136 D 8.79 4.50 0.00 2.69 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 0.00 137 N 8.32 4.87 0.00 2.69 2.84 0.00 0.00 6.78 8.50 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 0.00 138 N 8.07 5.02 0.00 2.61 2.67 0.00 0.00 6.70 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 0.00 139 I 8.36 4.87 1.68 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.48 0.44 0.00 0.00 140 V 8.69 4.47 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 1.05 0.00 0.00 0.95 0.00 0.00 141 V 8.42 4.91 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 0.80 0.00 0.00 0.89 0.00 0.00 142 Y 9.15 4.74 0.00 2.94 2.73 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 0.00 143 K 7.38 4.05 0.00 1.31 1.31 0.00 1.65 0.00 0.00 1.50 0.00 0.00 2.66 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.99 1.09 7.81 144 G 5.38 2.45 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 0.00 145 E 6.76 4.07 0.00 1.99 1.71 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 2.15 1.85 0.00 * Residues marked with a * may have inaccurate shift predictions.