NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 G 3.9740 8.2127 109.7423 45.1625 0.0000 173.3782 3 L 3.7573 8.7016 119.5222 58.0730 41.5469 177.8169 4 L 3.9602 8.2006 118.7014 58.1590 41.5061 179.0284 5 S 4.1335 7.9248 112.3218 61.2907 62.4167 176.2239 6 R 3.9641 8.2460 121.0138 59.2094 29.8049 178.9514 7 L 4.0171 8.2448 119.0860 57.8833 41.4196 179.5781 8 R 4.1621 7.7196 116.3883 57.8634 30.0881 177.9362 9 K 4.3812 7.3547 116.4067 55.0860 32.3152 176.3434 10 R 3.8795 7.6232 116.7705 57.0492 28.2930 176.0878 11 E 4.2718 8.1062 116.9611 54.9679 30.2161 175.4656 12 P 4.4174 0.0000 0.0000 62.4081 32.1159 176.0694 13 I 3.8846 8.1162 121.5476 61.1338 37.6740 177.1095 14 S 4.5017 8.6482 120.7764 57.5645 65.3554 175.2208 15 I 3.6497 8.2707 122.9851 64.7363 36.8795 177.6866 16 Y 4.1672 8.1074 120.4356 61.1067 38.0201 178.3430 17 D 4.2139 7.9077 118.1227 57.3158 40.8240 179.0187 18 K 4.0618 7.7595 117.5788 59.4517 32.7297 178.6745 19 I 4.0105 7.5557 113.5316 61.8536 38.1469 175.2882 20 G 3.3409 8.4845 110.1152 44.9031 0.0000 175.4517 21 G 2.5995 8.1043 111.5949 44.9491 0.0000 174.2203 22 H 4.1670 8.7718 116.5780 59.7347 29.6750 178.2469 23 E 3.9882 8.2160 119.4996 59.2495 29.3021 179.0822 24 A 3.9594 7.5749 119.6182 55.2163 18.3717 179.8109 25 I 3.6794 7.5094 118.4003 64.3940 37.1751 178.3557 26 E 4.0046 8.3801 119.6778 59.7085 29.1534 179.7735 27 V 3.6747 7.6448 118.0342 65.6907 31.5501 178.3779 28 V 3.5932 7.8183 118.2054 66.0564 31.5110 178.2222 29 V 3.9763 8.1547 118.2861 65.9755 31.1900 177.5990 30 E 4.0325 8.2176 118.7440 59.4193 29.6724 178.3800 31 D 4.3398 7.9618 118.0719 56.9757 41.2009 177.6409 32 F 4.2449 8.7127 121.7694 61.9410 39.3338 176.8909 33 Y 3.6828 7.7422 115.5081 60.1768 37.4549 178.2318 34 V 3.5338 7.5496 119.6964 66.0054 31.3977 178.2340 35 R 3.7728 7.5881 116.1928 59.3399 29.7756 178.8971 36 V 3.5148 7.5245 118.0082 65.9130 31.2087 177.8432 37 L 4.1844 7.6586 117.1141 56.6442 41.6872 178.1070 38 A 4.5322 7.5128 118.5199 51.3919 18.9874 176.3775 39 D 4.6494 7.4598 118.2087 52.7447 41.1162 176.3758 40 D 4.8111 8.5495 127.5192 54.1763 39.6961 177.2127 41 Q 4.3738 8.4376 119.5918 57.6210 29.3073 176.8267 42 L 5.1251 8.1882 119.2639 55.1800 43.8680 178.5297 43 S 4.2941 8.3830 113.8052 61.8218 62.1525 176.4479 44 A 4.1251 8.1372 123.4374 54.5166 17.7941 179.3461 45 F 4.0349 8.1150 115.7979 59.6471 39.0617 176.1591 46 F 4.8083 8.1042 115.0671 56.3202 39.2181 177.1655 47 S 4.0954 7.8005 117.4405 61.1050 62.0056 175.6682 48 G 4.1039 7.9839 106.0905 45.4217 0.0000 172.5042 49 T 4.3803 7.7247 117.4084 61.3267 70.1003 173.8327 50 N 4.6576 8.5520 124.4803 53.6546 39.0828 175.1610 51 M 3.9476 8.4193 129.0166 58.1086 32.2208 178.8278 52 S 4.1080 7.9513 115.8503 61.4109 63.0196 176.6131 53 R 3.8795 8.0295 121.0100 59.1030 29.8776 177.9958 54 L 3.9028 7.8628 120.1020 58.3525 42.1594 179.1509 55 K 4.1448 7.9956 118.3492 59.2582 31.7836 179.6050 56 G 3.6438 7.9760 105.5932 47.9851 0.0000 176.0548 57 K 4.3432 8.1847 121.7175 58.8296 31.9386 179.6579 58 V 3.6525 8.2076 118.8295 65.5470 31.5269 178.1995 59 V 3.7787 8.0553 118.1620 66.0441 31.3688 177.9114 60 E 4.0888 8.2166 118.0179 59.3979 29.3738 179.0755 61 F 3.7973 8.7380 120.9188 61.3684 39.0269 177.1513 62 F 4.6055 8.6114 117.5738 60.6695 38.7082 177.5367 63 A 4.1930 8.3516 120.2422 55.1676 17.6768 179.6095 64 A 3.8078 8.0083 119.0575 55.1597 18.2558 179.7576 65 A 3.8934 7.8241 118.0914 54.0402 18.6570 178.7009 66 L 4.6178 7.4151 115.1522 53.8573 42.3576 177.1980 67 G 4.0074 7.4732 105.5072 45.1146 0.0000 174.9301 68 G 3.0733 8.1987 108.9225 43.7397 0.0000 172.3947 69 P 4.3923 0.0000 0.0000 63.1734 32.3376 176.3976 70 E 4.2033 7.7088 118.9172 55.1244 30.4828 174.3476 71 P 4.6734 0.0000 0.0000 62.5436 32.2714 175.1727 72 Y 4.4598 8.5944 122.7890 57.7196 39.0480 175.0907 73 T 4.1774 8.4070 116.9057 61.4013 69.8799 175.1627 74 G 3.4445 5.8233 110.6871 44.6199 0.0000 172.6754 75 A 4.6246 8.0658 121.3279 49.8793 20.8311 176.1022 76 P 4.4984 0.0000 0.0000 62.9817 33.3001 177.5863 77 M 4.0090 8.7518 121.7792 58.5471 32.0255 179.0378 78 K 4.1961 7.9771 120.2937 58.9727 32.2484 178.1648 79 Q 3.9568 8.0613 117.9480 59.3417 29.0304 178.1372 80 V 3.6604 7.5122 117.5043 66.1658 31.8062 177.0480 81 H 4.6191 8.0614 113.8478 55.2813 28.9952 175.2926 82 Q 3.8444 7.5940 119.9799 57.7135 28.9118 177.1052 83 G 3.9543 8.7837 109.6395 46.8001 0.0000 174.0998 84 R 4.3218 7.8559 116.6901 55.2005 30.4120 176.9650 85 G 3.9415 8.1172 105.5089 46.4968 0.0000 173.6566 86 I 4.0089 7.8187 121.3497 60.6776 37.7539 176.1959 87 T 4.7182 8.5957 116.4059 60.3924 72.3202 175.0592 88 M 4.0873 8.4026 118.9662 58.7182 32.1116 177.1854 89 H 4.1144 7.9807 118.5339 59.7846 30.0220 176.9437 90 H 4.1978 8.0754 117.2639 58.6676 28.6185 177.3870 91 F 4.0067 8.4461 122.5086 61.5558 39.1953 177.3296 92 S 4.3137 8.7410 115.1391 61.6795 62.6844 176.8148 93 L 3.9161 7.9362 121.7421 57.5169 41.3274 179.7329 94 V 3.6144 7.8811 117.9815 66.0024 31.5570 177.7306 95 A 3.8922 8.1657 121.0186 55.2666 18.1146 179.7886 96 G 3.5377 8.3333 104.3165 48.3807 0.0000 175.6613 97 H 4.4218 8.1876 118.1965 58.1321 28.5927 177.7265 98 L 3.4725 8.0502 122.3058 57.9562 41.8065 178.8321 99 A 3.8733 7.8521 120.6801 55.2595 18.2709 179.3797 100 D 4.2591 8.1679 117.1864 57.3510 40.8734 178.8393 101 A 4.5688 8.0996 122.7229 54.6318 18.4111 179.7048 102 L 3.8233 8.0338 117.6263 58.2544 41.7451 179.6020 103 T 3.8097 8.1375 115.7908 66.9462 68.2153 176.4346 104 A 4.0504 7.8731 120.7584 54.6502 18.4581 178.6046 105 A 4.3073 7.6290 116.4793 52.0648 18.6796 177.9426 106 G 3.7649 7.8125 105.5684 45.9325 0.0000 174.1725 107 V 3.6737 7.4693 119.6753 61.3453 32.1061 174.8566 108 P 4.3090 0.0000 0.0000 63.0859 33.0245 177.7105 109 S 4.1650 8.6365 116.4863 61.5432 63.0518 176.6816 110 E 3.9808 8.0953 121.8867 59.5945 29.2412 179.1960 111 T 3.9582 7.8043 115.3553 66.2810 68.4930 176.9429 112 I 3.5954 7.5607 121.5484 64.6843 36.8957 178.2693 113 T 3.8371 7.8428 116.5708 66.9169 68.4505 176.0965 114 E 3.9276 8.0282 120.3906 59.2239 29.5843 179.0494 115 I 3.7772 7.6221 119.9324 64.2900 37.2446 178.1931 116 L 4.1054 8.3017 120.3013 57.7625 41.1399 179.7541 117 G 3.8210 7.5004 104.5274 47.1853 0.0000 175.7915 118 V 3.8061 7.1641 118.7544 65.5519 31.7557 177.8406 119 I 4.1467 7.7447 119.3670 63.8438 37.2757 177.6850 120 A 4.2225 8.3522 122.1582 55.2580 18.0737 177.8781 121 P 4.2135 0.0000 0.0000 65.7656 31.3244 178.6518 122 L 4.0861 8.2819 117.4594 57.2535 41.3546 178.9051 123 A 3.2224 7.5927 121.1485 54.7972 17.6766 179.5122 124 V 3.4279 7.0712 116.0281 66.6258 31.6601 177.7256 125 D 4.5084 8.0398 118.0734 56.8705 40.5125 179.0655 126 V 3.6658 7.5293 118.0311 64.8840 31.9594 176.2555 127 T 4.3809 7.5373 109.9954 61.1384 70.3176 175.4610 *128 S 4.2688 8.8111 117.7110 58.4197 63.0205 172.6391 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 2 G 8.21 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 3 L 8.70 3.76 0.00 2.03 1.72 1.02 0.27 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 4 L 8.20 3.96 0.00 1.74 1.73 0.93 0.83 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 5 S 7.92 4.13 0.00 3.90 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 6 R 8.25 3.96 0.00 2.07 1.98 0.00 3.34 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.88 0.00 7 L 8.24 4.02 0.00 1.82 1.72 0.92 1.21 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 8 R 7.72 4.16 0.00 1.86 1.99 0.00 3.15 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 9 K 7.35 4.38 0.00 1.95 1.83 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.71 7.81 10 R 7.62 3.88 0.00 1.96 2.00 0.00 3.16 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 11 E 8.11 4.27 0.00 2.11 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 2.34 2.24 0.00 12 P 0.00 4.42 0.00 2.18 2.05 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 13 I 8.12 3.88 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 1.48 0.54 0.92 0.00 0.00 14 S 8.65 4.50 0.00 4.31 4.03 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 15 I 8.27 3.65 2.01 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.59 0.88 0.00 0.00 16 Y 8.11 4.17 0.00 3.04 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 17 D 7.91 4.21 0.00 3.03 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 18 K 7.76 4.06 0.00 1.92 1.93 0.00 1.58 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.73 1.41 7.81 19 I 7.56 4.01 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.48 0.89 0.00 0.00 20 G 8.48 3.34 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 21 G 8.10 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 0.00 0.00 0.00 22 H 8.77 4.17 0.00 3.49 3.41 0.00 5.88 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 23 E 8.22 3.99 0.00 2.04 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 2.44 2.41 0.00 24 A 7.57 3.96 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 25 I 7.51 3.68 2.03 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.70 1.04 0.00 0.00 26 E 8.38 4.00 0.00 2.21 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 2.39 2.50 0.00 27 V 7.64 3.67 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 1.00 0.00 0.00 1.02 0.00 0.00 28 V 7.82 3.59 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 0.71 0.00 0.00 0.91 0.00 0.00 29 V 8.15 3.98 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 1.35 0.00 0.00 1.30 0.00 0.00 30 E 8.22 4.03 0.00 2.38 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 2.35 2.41 0.00 31 D 7.96 4.34 0.00 2.84 2.83 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 32 F 8.71 4.24 0.00 2.93 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 33 Y 7.74 3.68 0.00 3.07 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 34 V 7.55 3.53 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 1.02 0.00 0.00 1.02 0.00 0.00 35 R 7.59 3.77 0.00 1.94 1.82 0.00 3.39 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 36 V 7.52 3.51 1.57 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 0.84 0.00 0.00 0.45 0.00 0.00 37 L 7.66 4.18 0.00 1.69 1.68 0.81 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 38 A 7.51 4.53 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 39 D 7.46 4.65 0.00 2.89 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 40 D 8.55 4.81 0.00 2.88 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 41 Q 8.44 4.37 0.00 2.43 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.64 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.65 0.00 42 L 8.19 5.13 0.00 1.98 1.93 1.07 0.96 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 43 S 8.38 4.29 0.00 4.11 4.40 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 44 A 8.14 4.13 1.20 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 0.00 0.00 45 F 8.12 4.03 0.00 2.87 2.53 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 46 F 8.10 4.81 0.00 3.18 3.02 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 47 S 7.80 4.10 0.00 3.90 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 48 G 7.98 4.10 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 0.00 0.00 0.00 49 T 7.72 4.38 4.53 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 1.29 0.00 0.00 50 N 8.55 4.66 0.00 2.74 2.72 0.00 0.00 7.22 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 51 M 8.42 3.95 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.65 0.00 52 S 7.95 4.11 0.00 3.81 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 53 R 8.03 3.88 0.00 1.86 2.05 0.00 3.17 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 54 L 7.86 3.90 0.00 1.74 1.56 0.98 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 55 K 8.00 4.14 0.00 1.91 1.94 0.00 1.95 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.61 1.33 7.81 56 G 7.98 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.18 4.34 0.00 2.01 2.05 0.00 1.63 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.73 1.59 7.81 58 V 8.21 3.65 2.36 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 1.09 0.00 0.00 1.11 0.00 0.00 59 V 8.06 3.78 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 0.96 0.00 0.00 1.11 0.00 0.00 60 E 8.22 4.09 0.00 2.50 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 0.00 2.54 2.52 0.00 61 F 8.74 3.80 0.00 2.81 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 62 F 8.61 4.61 0.00 3.30 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 63 A 8.35 4.19 1.61 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 0.00 0.00 64 A 8.01 3.81 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 65 A 7.82 3.89 1.14 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 66 L 7.42 4.62 0.00 1.78 1.71 0.86 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 67 G 7.47 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 68 G 8.20 3.07 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 69 P 0.00 4.39 0.00 2.15 2.12 0.00 3.43 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 70 E 7.71 4.20 0.00 2.19 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 2.39 2.38 0.00 71 P 0.00 4.67 0.00 2.22 2.11 0.00 3.78 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 2.00 1.96 0.00 72 Y 8.59 4.46 0.00 2.91 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 73 T 8.41 4.18 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 1.18 0.00 0.00 74 G 5.82 3.44 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 0.00 0.00 0.00 75 A 8.07 4.62 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 76 P 0.00 4.50 0.00 2.22 2.07 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 77 M 8.75 4.01 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.40 0.00 78 K 7.98 4.20 0.00 1.85 1.83 0.00 1.79 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.37 7.81 79 Q 8.06 3.96 0.00 2.10 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.82 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 80 V 7.51 3.66 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 0.67 0.00 0.00 0.96 0.00 0.00 81 H 8.06 4.62 0.00 3.31 3.43 0.00 5.90 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 Q 7.59 3.84 0.00 2.30 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.64 0.00 0.00 0.00 0.00 0.00 2.42 2.51 0.00 83 G 8.78 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 0.00 0.00 0.00 84 R 7.86 4.32 0.00 1.91 2.09 0.00 3.23 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.83 0.00 85 G 8.12 3.94 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 0.00 0.00 0.00 86 I 7.82 4.01 2.03 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.51 0.85 0.00 0.00 87 T 8.60 4.72 4.29 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 1.33 0.00 0.00 88 M 8.40 4.09 0.00 2.17 2.09 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.65 0.00 89 H 7.98 4.11 0.00 3.26 3.24 0.00 5.84 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 90 H 8.08 4.20 0.00 3.37 3.13 0.00 5.87 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 91 F 8.45 4.01 0.00 3.14 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 92 S 8.74 4.31 0.00 4.04 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 93 L 7.94 3.92 0.00 1.85 1.70 0.88 0.82 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 94 V 7.88 3.61 2.05 0.00 0.00 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 0.00 0.00 0.98 0.00 0.00 95 A 8.17 3.89 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 96 G 8.33 3.54 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 0.00 0.00 0.00 97 H 8.19 4.42 0.00 3.53 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.05 3.47 0.00 1.17 1.57 -0.16 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.85 3.87 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 0.00 100 D 8.17 4.26 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 0.00 101 A 8.10 4.57 1.42 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 0.00 0.00 102 L 8.03 3.82 0.00 1.74 1.63 0.70 0.86 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 0.00 103 T 8.14 3.81 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 1.19 0.00 0.00 104 A 7.87 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 0.00 105 A 7.63 4.31 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 0.00 106 G 7.81 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 0.00 107 V 7.47 3.67 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 0.73 0.00 0.00 0.91 0.00 0.00 108 P 0.00 4.31 0.00 2.16 1.95 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.14 0.00 109 S 8.64 4.16 0.00 4.02 4.10 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 0.00 110 E 8.10 3.98 0.00 2.01 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 2.38 2.38 0.00 111 T 7.80 3.96 4.33 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 1.17 0.00 0.00 112 I 7.56 3.60 1.95 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 1.44 0.79 0.83 0.00 0.00 113 T 7.84 3.84 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 1.20 0.00 0.00 114 E 8.03 3.93 0.00 2.18 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 0.00 2.28 2.33 0.00 115 I 7.62 3.78 1.88 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.41 0.68 0.00 0.00 116 L 8.30 4.11 0.00 1.78 1.74 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 117 G 7.50 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 0.00 0.00 0.00 118 V 7.16 3.81 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 0.92 0.00 0.00 0.97 0.00 0.00 119 I 7.74 4.15 1.91 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.61 1.04 0.00 0.00 120 A 8.35 4.22 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 0.00 121 P 0.00 4.21 0.00 2.19 2.13 0.00 3.67 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 2.20 2.20 0.00 122 L 8.28 4.09 0.00 2.07 1.88 1.29 1.08 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 0.00 123 A 7.59 3.22 0.23 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 0.00 124 V 7.07 3.43 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 0.84 0.00 0.00 0.90 0.00 0.00 125 D 8.04 4.51 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 0.00 126 V 7.53 3.67 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 0.95 0.00 0.00 0.82 0.00 0.00 127 T 7.54 4.38 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 *128 S 8.81 4.27 0.00 3.60 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 * Residues marked with a * may have inaccurate shift predictions.