NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 L 4.4424 8.1693 120.6386 54.9370 43.4699 175.7035 8 H 4.8548 8.1636 115.3525 53.1402 31.4401 170.8605 9 K 4.5312 9.3534 122.6863 56.0382 33.9323 177.2445 10 E 5.0349 9.2486 124.1849 53.5473 33.2441 173.8890 11 P 4.8455 0.0000 0.0000 63.4450 32.2237 174.9997 12 A 4.9685 8.2271 122.3110 51.5212 22.8916 175.4937 13 T 4.7107 8.5196 108.7632 59.4261 72.3382 173.2665 14 L 4.2249 8.5832 126.0892 55.9394 42.2316 176.1301 15 I 4.2120 8.7130 127.9523 62.8829 38.2217 176.2065 16 K 4.5235 7.5712 120.3185 55.0340 35.4571 174.3995 17 A 4.3493 8.7962 130.4189 52.5461 18.5288 175.5816 18 I 4.3822 7.8541 120.3174 61.8471 39.1291 177.3347 19 D 4.6822 7.7057 119.6478 52.3085 41.5647 176.0253 20 G 3.9593 9.0221 106.3873 48.6046 0.0000 173.7422 21 D 5.1326 8.0897 115.7138 52.7126 41.3421 175.5942 22 T 5.3052 8.3062 108.9206 60.4071 72.4677 173.1760 23 V 4.7109 8.5455 122.1803 60.1938 35.5468 173.3857 24 K 4.9043 9.2065 125.1321 55.3533 33.5062 175.2585 25 L 5.2660 8.9806 126.8656 53.1246 46.5081 175.0617 26 M 4.8929 9.3147 121.7697 54.6365 33.8541 174.2025 27 Y 4.9720 9.0164 127.5687 56.4614 42.3696 175.4946 28 K 3.6734 9.2368 125.4081 57.3955 29.9008 175.6785 29 G 3.9338 8.3845 103.8204 45.5784 0.0000 173.6826 30 Q 4.8661 7.8109 118.6718 52.8968 32.2215 173.2134 31 P 4.9624 0.0000 0.0000 63.2390 32.3919 175.5708 32 M 4.9110 9.1509 122.2663 54.1816 37.1466 174.0187 33 T 4.6539 8.6189 119.6738 62.8856 70.3130 173.6113 34 K 4.8566 9.2723 127.0695 54.8747 34.4302 175.3995 35 R 4.9406 9.1913 126.5370 54.3819 32.1079 175.1809 36 L 4.5146 8.5175 127.3399 54.4412 41.8750 177.1949 37 L 3.8781 8.4999 124.5079 55.7578 42.8458 177.9738 38 L 4.4550 8.8995 119.7961 55.2940 39.2229 173.9659 39 V 5.1623 7.3515 110.4161 59.9103 36.3810 174.6742 40 D 4.9530 9.1041 121.4284 53.2249 43.9888 174.5103 41 T 4.8620 8.7831 116.8470 59.9218 70.5065 173.2021 42 P 4.5685 0.0000 0.0000 62.5242 32.2546 176.2649 43 E 3.9988 9.1992 122.1592 56.8094 30.1754 177.7953 *50 F 4.4456 8.5950 123.3665 58.2832 41.0507 175.5482 51 N 4.5764 8.2560 114.5894 53.2906 37.7998 174.0296 52 E 4.5402 7.8576 119.5098 53.9046 32.1854 175.0051 53 K 3.8840 8.1407 121.1234 57.9662 32.6102 176.4908 54 Y 4.1347 7.4823 120.4732 58.5807 36.2433 171.7812 55 G 3.4779 7.9610 107.9998 47.5026 0.0000 174.3801 56 P 4.0777 0.0000 0.0000 64.9450 31.3712 178.6529 57 E 4.0145 8.0830 116.9133 59.1710 29.4887 179.0280 58 A 4.0106 8.3286 121.0648 55.3694 18.6376 179.7465 59 S 4.1430 8.4245 113.6656 61.8959 62.9675 176.9531 60 A 4.1837 8.3842 123.4594 54.9394 18.0780 179.5438 61 F 4.0135 8.6165 119.3709 61.7853 39.4859 177.4756 62 T 3.9382 8.2856 115.3739 66.5665 68.2084 176.2671 63 K 3.8330 8.2769 121.6312 59.6039 32.1548 178.6316 64 K 3.8707 8.0722 119.6379 59.5478 31.8744 178.4634 65 M 3.8470 7.5500 117.4141 58.8240 32.2663 178.3522 66 V 3.8204 8.0107 112.6750 64.2062 31.5639 178.4797 67 E 4.1260 8.3420 117.7799 58.8821 29.5094 177.7153 68 N 4.5119 7.9696 114.6099 54.2932 39.1465 175.5579 69 A 4.3888 7.3148 120.8393 51.8558 18.8865 177.7189 70 K 4.1872 8.8198 121.4905 58.2514 33.5430 177.1796 71 K 4.5734 8.6328 121.2875 54.7162 35.3276 174.9074 72 I 5.0689 8.5010 127.7215 59.7087 39.9773 174.4490 73 E 4.9984 9.2271 124.7556 54.5642 33.8671 174.7579 74 V 4.6489 9.1625 122.3776 61.0804 34.5329 174.1116 75 E 5.1139 8.9701 127.9165 53.2179 32.1393 174.8989 76 F 4.6454 8.6928 125.7371 57.5955 40.1296 175.8447 77 D 4.9971 8.4081 120.7052 53.5871 43.1892 175.7195 78 K 4.3257 8.8158 116.5481 57.9921 33.3190 178.3143 79 G 4.1441 7.9182 111.7339 44.7596 0.0000 173.6581 80 Q 4.0867 8.5597 122.0117 56.3989 29.4243 176.6136 81 R 4.5188 8.4280 118.0957 56.3426 31.6593 176.0288 82 T 5.0491 7.5398 107.0014 59.6047 71.7287 173.1864 83 D 4.7117 8.5240 123.8946 51.4470 41.5431 177.0373 84 K 3.9422 8.2423 117.0408 58.8596 32.3312 176.8591 85 Y 4.4823 8.2283 116.6990 57.6681 38.4124 176.5805 86 G 3.9727 8.3196 108.5556 45.2280 0.0000 173.9619 87 R 4.3587 7.9687 119.2524 55.4977 31.5660 176.2882 88 G 3.9780 9.1959 111.3857 46.3759 0.0000 172.3554 89 L 5.2461 8.8396 124.4702 53.0290 43.0756 175.7543 90 A 4.4951 8.2838 124.3295 50.6589 23.4248 174.1507 91 Y 4.9231 8.6410 117.4455 56.6582 39.7835 174.9858 92 I 4.9795 8.2343 123.7882 59.6962 40.6242 173.8878 93 Y 5.2221 9.2475 123.9166 56.0718 41.3212 174.4791 94 A 4.9353 9.2854 125.7310 50.3031 21.5035 176.3152 95 D 4.4246 9.9585 125.4071 55.7702 39.1088 175.4301 96 G 4.0112 8.4595 105.6857 45.2434 0.0000 173.5765 97 K 4.5243 7.8470 120.1399 54.9890 33.7938 175.3472 98 M 4.0625 8.4031 123.0507 54.6670 33.2529 177.0281 99 V 3.6411 8.6401 127.1050 66.1305 31.3402 177.5394 100 N 4.2972 8.0924 115.7056 56.6266 38.3943 176.7726 101 E 3.9729 8.1087 119.6188 59.1595 29.8205 178.5330 102 A 4.0422 8.1603 120.8619 55.1000 18.5248 179.4834 103 L 3.3684 8.0919 117.5814 57.8715 41.6461 180.0596 104 V 3.8765 7.4492 119.5093 65.5392 31.2885 178.0953 105 R 4.0719 8.0750 117.4921 58.9734 29.9518 177.4701 106 Q 4.3690 7.7139 115.3778 54.7257 29.1717 175.7597 107 G 3.9698 8.1294 108.7128 46.8325 0.0000 174.9679 108 L 4.5175 7.6814 117.6349 54.1864 42.3511 176.4740 109 A 4.8009 7.4849 119.9326 50.4467 22.9890 175.1988 110 K 4.8156 8.5516 119.2551 54.5602 34.7450 176.4836 111 V 4.2453 8.9415 123.9443 63.5020 32.0303 174.9933 112 A 4.2117 9.2818 127.0346 51.4336 23.2992 175.0496 113 Y 3.2367 7.6208 113.6168 58.9591 35.2205 172.6586 114 V 4.0183 7.4042 119.3268 62.0701 31.3296 173.8342 115 Y 4.8189 8.2766 125.3313 55.2732 39.9066 175.7749 116 K 3.9096 8.7575 122.4478 59.1070 32.8967 174.9838 117 G 4.3389 9.3638 112.7806 45.6222 0.0000 174.0409 118 N 5.0249 7.5116 117.6939 51.5027 37.3411 174.4687 119 N 5.2437 7.6686 114.1524 52.6098 38.9605 177.6183 120 T 3.8597 9.0239 118.4688 67.9541 68.7529 174.9912 121 H 4.8580 8.1108 116.3686 55.8441 29.1772 176.8631 122 E 3.9890 8.4648 122.8598 59.7414 29.4017 178.8201 123 Q 3.9977 8.0586 117.4719 58.7404 28.8101 178.2591 124 L 3.9428 7.9258 120.8321 58.3377 42.1634 179.0115 125 L 4.0178 8.0808 118.7572 57.9091 41.5190 179.7278 126 R 4.1300 8.4494 118.4249 58.9119 30.0168 179.0862 127 K 3.8760 8.2326 119.5072 59.3350 32.1815 178.7959 128 A 3.9712 7.8982 121.1337 55.1222 18.2467 179.1664 129 E 3.8655 8.7480 118.0312 59.2740 29.5975 178.8123 130 A 3.7614 8.0889 120.9404 55.3340 18.4210 179.7009 131 Q 3.8395 7.9228 115.7849 58.8778 28.7559 178.7764 132 A 3.9789 8.0763 121.9314 55.0701 18.4539 179.6451 133 K 3.3980 7.8930 118.4702 59.2389 31.8719 179.0588 134 K 3.8639 7.8063 118.0891 59.3329 32.0768 178.1785 135 E 4.2738 7.9388 115.4477 55.2074 30.2123 176.3459 136 K 4.0421 8.0626 118.3558 57.2436 30.5521 175.0092 137 L 4.2436 8.1022 118.3019 55.2009 44.3017 177.9831 138 N 3.5204 9.4048 121.1692 54.0678 37.3968 176.5184 139 I 3.2849 5.4200 128.0730 64.1332 37.7956 176.8878 140 W 4.8211 7.6472 118.5983 56.5071 29.2403 176.4789 141 S 4.7383 7.6994 118.8508 57.8147 62.6704 173.9545 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 7 L 8.17 4.44 0.00 1.83 1.77 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 8 H 8.16 4.85 0.00 3.41 3.38 0.00 5.64 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 9.35 4.53 0.00 1.57 1.79 0.00 1.41 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.00 1.22 7.81 10 E 9.25 5.03 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 2.46 2.40 0.00 11 P 0.00 4.85 0.00 2.11 2.09 0.00 3.91 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.01 0.00 12 A 8.23 4.97 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 13 T 8.52 4.71 4.26 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 1.23 0.00 0.00 14 L 8.58 4.22 0.00 1.67 1.63 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 15 I 8.71 4.21 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.77 0.92 0.00 0.00 16 K 7.57 4.52 0.00 1.79 1.58 0.00 1.70 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.39 1.42 7.81 17 A 8.80 4.35 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 18 I 7.85 4.38 2.02 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 1.46 0.83 0.88 0.00 0.00 19 D 7.71 4.68 0.00 2.89 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 20 G 9.02 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 21 D 8.09 5.13 0.00 2.75 2.85 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 0.00 0.00 0.00 22 T 8.31 5.31 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 1.18 0.00 0.00 23 V 8.55 4.71 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 0.68 0.00 0.00 1.01 0.00 0.00 24 K 9.21 4.90 0.00 1.86 1.85 0.00 1.54 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.47 7.81 25 L 8.98 5.27 0.00 1.62 1.63 0.91 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.31 4.89 0.00 2.09 1.97 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 27 Y 9.02 4.97 0.00 3.09 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.24 3.67 0.00 1.42 1.57 0.00 1.69 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.05 0.00 0.00 0.00 0.00 0.90 0.21 7.81 29 G 8.38 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 0.00 0.00 0.00 30 Q 7.81 4.87 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.96 0.00 0.00 0.00 0.00 0.00 2.40 2.42 0.00 31 P 0.00 4.96 0.00 2.10 2.08 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.01 0.00 32 M 9.15 4.91 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 33 T 8.62 4.65 4.26 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 1.20 0.00 0.00 34 K 9.27 4.86 0.00 1.57 1.63 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.71 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.36 1.43 7.81 35 R 9.19 4.94 0.00 1.83 1.86 0.00 3.30 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 1.47 1.57 0.00 36 L 8.52 4.51 0.00 1.57 1.76 0.94 0.82 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 37 L 8.50 3.88 0.00 0.85 1.26 0.26 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.90 4.45 0.00 2.04 1.90 1.17 1.22 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 39 V 7.35 5.16 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 0.75 0.00 0.00 1.02 0.00 0.00 40 D 9.10 4.95 0.00 2.96 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 41 T 8.78 4.86 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 1.28 0.00 0.00 42 P 0.00 4.57 0.00 1.94 2.01 0.00 3.67 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 2.11 2.09 0.00 43 E 9.20 4.00 0.00 2.04 1.93 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 2.35 2.42 0.00 *50 F 8.59 4.45 0.00 3.07 3.19 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 0.00 51 N 8.26 4.58 0.00 2.90 3.00 0.00 0.00 5.89 7.66 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 52 E 7.86 4.54 0.00 2.08 1.84 0.00 0.00 0.00 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 2.18 0.00 53 K 8.14 3.88 0.00 1.52 1.56 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.70 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.44 0.83 7.81 54 Y 7.48 4.13 0.00 3.20 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 55 G 7.96 3.48 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 0.00 0.00 0.00 0.00 56 P 0.00 4.08 0.00 1.95 1.75 0.00 3.32 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.03 0.00 57 E 8.08 4.01 0.00 2.33 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 0.00 2.54 2.50 0.00 58 A 8.33 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 59 S 8.42 4.14 0.00 4.23 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 60 A 8.38 4.18 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 61 F 8.62 4.01 0.00 3.27 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 62 T 8.29 3.94 4.34 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 1.29 0.00 0.00 63 K 8.28 3.83 0.00 1.93 2.04 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.56 1.55 7.81 64 K 8.07 3.87 0.00 1.94 1.73 0.00 1.65 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.39 7.81 65 M 7.55 3.85 0.00 2.05 1.87 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 66 V 8.01 3.82 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 0.92 0.00 0.00 1.01 0.00 0.00 67 E 8.34 4.13 0.00 2.08 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 2.34 2.33 0.00 68 N 7.97 4.51 0.00 2.81 2.84 0.00 0.00 6.97 7.44 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 69 A 7.31 4.39 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 70 K 8.82 4.19 0.00 1.91 1.95 0.00 1.56 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.38 7.81 71 K 8.63 4.57 0.00 1.81 1.77 0.00 1.60 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.34 1.41 7.81 72 I 8.50 5.07 2.05 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 1.37 0.63 0.99 0.00 0.00 73 E 9.23 5.00 0.00 1.92 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 2.22 2.24 0.00 74 V 9.16 4.65 1.87 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 0.02 0.00 0.00 0.79 0.00 0.00 75 E 8.97 5.11 0.00 2.20 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 0.00 2.43 2.35 0.00 76 F 8.69 4.65 0.00 3.00 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 77 D 8.41 5.00 0.00 2.70 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 78 K 8.82 4.33 0.00 1.94 1.88 0.00 1.80 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.56 7.81 79 G 7.92 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 0.00 0.00 0.00 80 Q 8.56 4.09 0.00 2.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.81 0.00 0.00 0.00 0.00 0.00 2.21 2.30 0.00 81 R 8.43 4.52 0.00 1.63 1.49 0.00 2.60 0.00 0.00 2.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.50 0.00 82 T 7.54 5.05 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 83 D 8.52 4.71 0.00 2.84 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 84 K 8.24 3.94 0.00 1.56 1.73 0.00 1.28 0.00 0.00 1.49 0.00 0.00 2.76 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.80 0.21 7.81 85 Y 8.23 4.48 0.00 3.12 2.98 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 86 G 8.32 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 0.00 0.00 0.00 87 R 7.97 4.36 0.00 2.13 1.87 0.00 3.12 0.00 0.00 3.30 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 88 G 9.20 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 0.00 0.00 0.00 89 L 8.84 5.25 0.00 1.50 1.57 0.87 0.62 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 90 A 8.28 4.50 0.68 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 91 Y 8.64 4.92 0.00 3.03 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 92 I 8.23 4.98 1.83 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 0.92 0.00 0.00 93 Y 9.25 5.22 0.00 2.81 2.85 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 0.00 0.00 0.00 94 A 9.29 4.94 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 95 D 9.96 4.42 0.00 2.76 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 96 G 8.46 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 97 K 7.85 4.52 0.00 1.98 1.76 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 M 8.40 4.06 0.00 1.84 1.47 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 2.22 0.00 99 V 8.64 3.64 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 1.06 0.00 0.00 0.97 0.00 0.00 100 N 8.09 4.30 0.00 2.86 2.94 0.00 0.00 6.73 7.66 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 0.00 101 E 8.11 3.97 0.00 1.97 1.90 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 2.37 2.36 0.00 102 A 8.16 4.04 1.65 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 0.00 0.00 103 L 8.09 3.37 0.00 1.84 1.62 1.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.45 3.88 2.23 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 1.32 0.00 0.00 1.01 0.00 0.00 105 R 8.08 4.07 0.00 1.90 2.11 0.00 3.35 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.73 0.00 106 Q 7.71 4.37 0.00 1.61 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.49 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 107 G 8.13 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 0.00 0.00 0.00 108 L 7.68 4.52 0.00 1.19 1.52 0.58 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.48 4.80 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 0.00 110 K 8.55 4.82 0.00 1.74 1.80 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.13 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.32 1.13 7.81 111 V 8.94 4.25 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 0.78 0.00 0.00 1.02 0.00 0.00 112 A 9.28 4.21 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 0.00 113 Y 7.62 3.24 0.00 3.22 3.21 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 0.00 114 V 7.40 4.02 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 0.93 0.00 0.00 0.99 0.00 0.00 115 Y 8.28 4.82 0.00 3.02 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 0.00 116 K 8.76 3.91 0.00 1.89 1.92 0.00 1.51 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.66 7.81 117 G 9.36 4.34 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 0.00 118 N 7.51 5.02 0.00 2.78 2.83 0.00 0.00 6.85 9.28 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 0.00 119 N 7.67 5.24 0.00 2.88 3.03 0.00 0.00 6.09 7.22 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 0.00 120 T 9.02 3.86 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 1.10 0.00 0.00 121 H 8.11 4.86 0.00 3.01 3.10 0.00 5.63 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.46 3.99 0.00 2.17 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 2.33 2.39 0.00 123 Q 8.06 4.00 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.65 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 124 L 7.93 3.94 0.00 1.75 1.83 0.90 0.59 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 0.00 125 L 8.08 4.02 0.00 1.95 1.74 0.98 0.95 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 0.00 126 R 8.45 4.13 0.00 1.82 1.96 0.00 3.12 0.00 0.00 3.08 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 127 K 8.23 3.88 0.00 1.99 2.01 0.00 1.49 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 128 A 7.90 3.97 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 0.00 129 E 8.75 3.87 0.00 2.04 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 0.00 2.02 2.58 0.00 130 A 8.09 3.76 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 0.00 131 Q 7.92 3.84 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 132 A 8.08 3.98 1.53 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 0.00 133 K 7.89 3.40 0.00 0.79 1.40 0.00 1.23 0.00 0.00 1.23 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.08 0.78 7.81 134 K 7.81 3.86 0.00 1.94 1.81 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.41 1.39 7.81 135 E 7.94 4.27 0.00 1.96 1.98 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 2.31 2.47 0.00 136 K 8.06 4.04 0.00 2.02 1.89 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.62 7.81 137 L 8.10 4.24 0.00 1.91 1.71 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 138 N 9.40 3.52 0.00 2.66 1.61 0.00 0.00 7.15 7.45 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 0.00 139 I 5.42 3.28 0.97 0.00 0.00 0.55 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 -0.02 0.14 0.00 0.00 140 W 7.65 4.82 0.00 3.35 3.10 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 0.00 141 S 7.70 4.74 0.00 4.03 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 * Residues marked with a * may have inaccurate shift predictions.