NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 D 4.6052 8.2076 120.1895 54.4296 43.2013 177.6451 24 S 4.2418 7.8822 113.8913 60.1757 62.7794 172.8438 25 E 3.8837 8.8803 124.1934 59.1874 29.9557 179.6925 26 I 3.6492 7.5658 119.2851 64.4248 37.2957 178.1647 27 V 3.5454 8.1905 119.2884 66.1186 31.3224 177.9321 28 K 3.9528 8.2602 118.9580 59.3329 32.0215 178.6207 29 A 3.9697 8.1324 121.0163 55.2288 18.3907 179.5362 30 L 4.0124 8.5190 118.0041 57.9385 41.6000 180.0856 31 G 3.6327 8.6057 106.0072 47.9392 0.0000 175.5563 32 D 4.3813 8.2688 121.2895 57.0971 40.7868 178.8782 33 L 3.9955 8.0738 119.6096 57.6576 41.6839 179.0417 34 D 4.3563 8.1679 118.2313 57.1782 41.1770 178.1921 35 E 3.9855 8.4531 119.4159 59.1744 29.4355 178.8782 36 L 3.9728 8.1363 120.5792 58.3971 42.2371 178.6520 37 N 4.3421 8.3945 116.8154 56.7363 38.8316 177.0538 38 S 4.1565 7.9560 116.4635 61.4208 62.9713 176.7399 39 V 3.6307 7.9882 121.0450 65.8592 31.2489 178.1008 40 L 4.1420 8.2977 119.1863 57.6846 41.4391 179.6600 41 G 3.6024 8.1376 105.7504 47.7660 0.0000 175.9168 42 V 3.4575 7.7316 120.5624 65.6135 31.3662 178.3448 43 V 3.5939 7.7216 118.0536 65.9916 31.1232 177.9380 44 S 4.1036 8.2047 112.9157 61.6373 62.0179 176.3832 45 S 4.2157 7.9060 116.7332 61.3254 62.5783 176.1439 46 L 4.3731 7.5797 120.2714 55.9445 43.1433 176.5936 47 Y 4.6168 8.1619 119.1693 54.4667 38.7007 173.4006 48 P 4.8047 0.0000 0.0000 64.7874 32.0933 178.4918 49 E 3.8741 7.7055 117.0090 58.0625 29.6821 176.9094 50 L 4.7793 8.2441 117.6932 54.8606 42.7118 178.1259 51 S 4.1990 8.3614 119.7033 60.9817 62.1405 176.2010 52 E 3.9426 8.1773 121.4867 59.4255 29.4169 179.1810 53 V 3.7796 7.7803 118.6546 64.8776 31.5930 178.2231 54 I 3.7995 8.1193 120.6824 64.2252 36.8607 178.4295 55 Q 4.1824 8.5992 119.3860 58.6679 28.3866 178.9195 56 K 4.0624 7.8300 118.8663 59.4450 32.0294 179.3677 57 L 4.2129 7.8909 118.9949 58.0117 41.5304 179.6303 58 Q 4.6821 8.3289 119.6203 58.4821 28.5620 178.5565 59 N 4.3844 8.5673 118.0622 56.4906 38.6061 177.2268 60 D 4.4601 8.4765 120.4357 57.4029 40.8098 178.8053 61 I 3.6083 8.0957 120.5967 64.3612 37.0144 178.2912 62 F 3.9515 8.2679 121.4478 61.3407 39.2414 177.4354 63 S 4.0522 8.2690 114.9314 61.4949 62.5905 176.7824 64 I 3.1052 7.8650 122.7858 64.1969 36.7557 178.5986 65 S 3.9394 7.9500 116.2119 61.6089 62.5195 176.8814 66 S 3.9515 7.8173 118.0072 61.7338 62.6163 176.7380 67 E 4.7329 7.9533 122.4334 59.0810 28.9550 179.4808 68 I 3.8242 7.5769 118.6843 63.4886 37.2357 177.2711 69 A 4.3971 7.5593 119.5669 51.7001 18.8622 177.2577 70 G 3.7200 7.4701 104.9595 45.5880 0.0000 174.7041 71 F 4.4646 8.6317 119.6552 56.6965 40.3055 173.4265 72 D 4.9115 8.1576 119.5166 53.1764 44.3374 173.8723 *74 N 4.5719 8.3264 117.7960 53.1004 39.8801 174.6145 75 F 4.1022 9.1455 121.0877 58.1625 39.8552 173.8824 76 S 4.8130 7.7968 121.9286 55.7682 65.9381 174.1443 77 D 4.3160 8.4699 118.0216 57.0828 40.6499 177.2692 78 E 3.8997 7.7798 119.4171 59.1925 29.5514 178.8991 79 K 3.8434 7.8915 118.5480 59.4530 32.0851 179.1983 80 V 3.6936 7.9001 117.8816 66.1997 31.4363 177.8083 81 K 4.2621 8.3648 119.2913 59.3769 32.0782 178.9982 82 G 3.6559 8.1407 106.2576 47.7529 0.0000 175.8463 83 I 3.7820 7.6807 121.9292 64.2714 37.0635 178.3977 84 E 3.9799 8.2285 119.4748 59.2672 29.1198 179.0900 85 E 3.9338 8.2055 119.5277 59.1968 29.6758 178.8954 86 L 4.0498 7.8218 118.6800 57.7068 41.6967 179.4613 87 I 3.7957 8.1822 120.1829 64.6894 36.8507 178.5493 88 T 3.8654 7.8560 115.1532 66.8643 68.4833 176.1913 89 N 4.4153 8.3857 118.5448 56.5747 38.5468 177.2380 90 Y 3.9834 8.1161 118.1963 61.0705 37.9158 178.5450 91 S 4.2818 8.3479 115.9531 61.2695 62.6258 176.7740 92 K 3.9939 7.5084 120.5494 59.0844 31.7957 178.4166 93 E 4.1885 8.1639 117.3122 56.8519 29.8206 176.6648 94 L 4.5709 7.1826 118.8334 53.2641 43.4459 175.8885 95 E 4.5137 8.1993 120.5753 54.0588 31.3868 174.2756 96 P 4.3330 0.0000 0.0000 62.6887 31.8203 175.9037 97 L 4.5773 8.3141 123.7644 53.9129 42.9590 176.5303 98 R 4.6663 8.2620 126.0869 55.3341 31.1260 174.7419 99 N 4.8531 7.7824 112.4686 52.4142 42.7501 173.7607 100 F 4.4140 8.7733 118.6231 56.5522 40.6117 175.2964 101 V 4.5821 8.6676 124.0303 62.2157 32.4279 174.9347 102 L 4.8800 8.7339 127.6689 52.0284 44.0487 174.8256 103 P 3.7818 0.0000 0.0000 62.1775 31.6656 176.4200 104 G 3.9319 8.7704 110.5136 45.9361 0.0000 172.9871 105 G 4.0092 8.1833 106.0397 44.6181 0.0000 175.2142 106 H 4.1875 9.8743 124.1453 55.8065 31.5388 175.3660 107 I 3.6784 8.2898 126.5288 64.5618 37.8107 178.0578 108 A 4.2971 8.4306 120.7642 54.8020 18.3907 179.4930 109 S 3.9198 7.9315 111.6986 61.6396 62.6785 176.2652 110 S 4.1520 8.1051 117.8891 61.7559 62.4817 176.7884 111 F 4.3506 8.3168 120.1364 60.1493 38.6029 177.7914 112 L 4.0658 7.9253 119.1260 57.9000 41.3329 179.0376 113 H 4.2961 8.1620 116.0989 58.6398 28.5579 177.6116 114 L 3.9578 7.8722 121.5456 58.0286 41.9794 178.7207 115 A 4.0431 8.3343 121.1319 55.2474 18.2867 179.4760 116 R 3.8401 8.5187 117.2120 59.5741 30.2373 178.5700 117 A 3.9917 8.2044 120.5200 55.3397 18.3675 179.8746 118 V 3.6132 8.2797 117.1816 66.0980 31.4633 177.8181 119 C 4.1759 8.5833 119.1455 62.4763 31.3798 175.8041 120 R 3.9421 8.2619 119.8771 58.9497 29.7129 179.0427 121 R 3.8698 7.9326 118.4143 59.3558 30.0809 178.4286 122 A 4.0222 8.4092 121.0709 54.9423 17.8210 179.1586 123 E 3.8728 8.4434 118.2067 59.5724 29.7649 179.1272 124 R 3.9564 7.9566 118.0022 59.5997 30.0209 179.2737 125 S 4.1197 7.9720 114.3619 61.6218 62.8335 176.9904 126 V 3.6111 8.0434 121.1284 65.8965 31.1339 178.2959 127 V 3.6595 8.3716 118.5536 66.2084 31.0981 178.1740 128 T 3.8927 7.6240 114.8770 66.4684 68.5355 176.2496 129 L 4.1782 7.7067 120.9863 57.0129 41.5712 179.0639 130 L 3.9445 7.8126 120.7150 58.1716 41.9015 179.0967 131 K 4.1247 7.6913 116.3142 58.1772 31.8939 177.4211 132 E 4.5686 7.5612 116.9242 55.4537 30.1510 175.6976 133 S 3.7734 8.1474 113.0735 59.7849 60.8789 172.9360 134 K 4.4152 8.4560 116.9919 56.0595 32.0659 176.0843 135 A 4.6877 7.3797 120.2210 51.0267 22.2868 176.2898 136 K 4.4235 8.2665 118.8339 55.1205 33.8484 178.0572 137 E 4.0134 8.6632 121.9767 59.3887 29.4749 179.6492 138 V 3.8021 7.7916 118.8059 64.8026 31.4291 178.0402 139 H 4.2351 8.0157 116.5302 58.7917 28.6240 177.3576 140 A 4.0504 8.0842 121.9517 55.2726 18.2135 179.4541 141 K 3.9506 8.2884 118.0599 59.6079 32.1866 178.3089 142 Y 4.0188 8.5681 120.2673 60.9252 38.9281 178.2881 143 L 4.0911 8.3475 119.8234 57.6393 41.7977 179.1290 144 N 4.5680 8.2582 118.5008 56.3286 38.9281 177.2682 145 R 3.9671 8.1387 119.6369 58.9607 30.0211 178.6505 146 L 3.8191 8.0646 120.8799 58.2362 42.1599 179.2861 147 S 4.1665 8.0019 113.7731 61.5480 62.8757 176.7425 148 S 4.1802 7.7225 117.8682 61.2633 62.4957 176.2908 149 L 3.9926 8.0482 123.1747 58.0987 41.8325 178.9974 150 L 3.9151 8.3182 119.4015 57.6419 41.6147 179.2580 151 F 4.0110 8.1174 120.1217 61.3426 39.2965 177.3720 152 V 3.4971 7.8312 117.7288 65.9700 31.2733 178.0161 153 L 3.6702 8.0031 118.7605 57.2893 41.4738 179.2614 154 A 3.7686 7.6675 120.9119 55.0542 18.2397 179.7442 155 L 3.7645 7.3054 116.9964 57.7162 41.6699 179.7475 156 V 3.5654 7.7730 118.4042 65.9594 31.3684 178.3132 157 V 3.1960 7.6268 117.8900 65.9218 31.2307 177.8439 158 N 4.2930 7.8321 115.8175 55.9790 38.0770 177.3333 159 K 3.8950 8.3839 121.4748 59.7483 32.1438 179.2032 160 R 4.0541 8.3959 117.3371 58.3395 29.9989 178.0457 161 T 4.4513 7.5662 107.2587 60.4766 69.4392 173.9350 162 N 4.1824 7.8369 117.0462 54.9922 36.4179 173.8798 163 N 4.9209 8.2678 115.7448 50.6670 40.3130 173.7725 164 P 4.4180 0.0000 0.0000 62.2689 32.1575 176.2406 165 N 4.5535 8.4178 118.9904 53.1876 39.5173 174.7146 166 V 4.2824 8.1444 120.9583 62.1713 33.1483 174.7171 167 I 5.1871 8.1430 119.9657 58.3729 40.6859 174.7837 168 W 4.1995 9.0274 135.0000 58.8284 31.1085 175.9039 169 R 3.8103 8.2977 126.2634 56.5905 30.1605 175.4067 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 23 D 8.21 4.61 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 24 S 7.88 4.24 0.00 4.16 4.11 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 0.00 0.00 0.00 25 E 8.88 3.88 0.00 2.05 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 0.00 2.37 2.39 0.00 26 I 7.57 3.65 2.04 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 1.51 0.42 0.89 0.00 0.00 27 V 8.19 3.55 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 0.96 0.00 0.00 28 K 8.26 3.95 0.00 1.96 1.94 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.46 7.81 29 A 8.13 3.97 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 30 L 8.52 4.01 0.00 1.76 1.70 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 31 G 8.61 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 32 D 8.27 4.38 0.00 2.84 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 33 L 8.07 4.00 0.00 1.83 1.68 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 34 D 8.17 4.36 0.00 2.86 2.88 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 35 E 8.45 3.99 0.00 2.22 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 2.35 2.50 0.00 36 L 8.14 3.97 0.00 1.82 1.95 0.97 0.72 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 37 N 8.39 4.34 0.00 3.03 2.84 0.00 0.00 7.29 6.85 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 38 S 7.96 4.16 0.00 4.09 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 39 V 7.99 3.63 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 1.21 0.00 0.00 1.06 0.00 0.00 40 L 8.30 4.14 0.00 1.94 1.73 0.98 0.75 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 41 G 8.14 3.60 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 42 V 7.73 3.46 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 0.02 0.00 0.00 0.76 0.00 0.00 43 V 7.72 3.59 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 1.06 0.00 0.00 1.08 0.00 0.00 44 S 8.20 4.10 0.00 3.94 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 45 S 7.91 4.22 0.00 3.97 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 46 L 7.58 4.37 0.00 1.88 1.86 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 8.16 4.62 0.00 2.98 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 48 P 0.00 4.80 0.00 2.11 2.06 0.00 3.69 0.00 0.00 3.61 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 49 E 7.71 3.87 0.00 1.59 1.58 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 2.30 2.29 0.00 50 L 8.24 4.78 0.00 2.02 1.69 0.81 0.76 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 51 S 8.36 4.20 0.00 3.92 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 52 E 8.18 3.94 0.00 2.05 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 2.41 2.39 0.00 53 V 7.78 3.78 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 0.89 0.00 0.00 1.05 0.00 0.00 54 I 8.12 3.80 1.96 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 1.53 0.77 0.98 0.00 0.00 55 Q 8.60 4.18 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.51 0.00 56 K 7.83 4.06 0.00 2.11 1.94 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.51 1.64 7.81 57 L 7.89 4.21 0.00 1.89 1.86 0.95 1.66 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 58 Q 8.33 4.68 0.00 2.30 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.63 2.50 0.00 59 N 8.57 4.38 0.00 3.01 2.93 0.00 0.00 6.99 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 60 D 8.48 4.46 0.00 2.88 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 61 I 8.10 3.61 2.07 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 1.86 1.07 0.96 0.00 0.00 62 F 8.27 3.95 0.00 3.24 3.20 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 63 S 8.27 4.05 0.00 4.05 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 64 I 7.87 3.11 1.66 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.27 -0.36 0.52 0.00 0.00 65 S 7.95 3.94 0.00 3.60 3.69 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 66 S 7.82 3.95 0.00 3.81 3.67 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 0.00 0.00 0.00 0.00 67 E 7.95 4.73 0.00 2.06 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 0.00 2.55 2.38 0.00 68 I 7.58 3.82 1.90 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.40 0.87 0.00 0.00 69 A 7.56 4.40 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 70 G 7.47 3.72 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 0.00 0.00 0.00 71 F 8.63 4.46 0.00 3.18 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 72 D 8.16 4.91 0.00 2.61 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 *74 N 8.33 4.57 0.00 2.77 2.86 0.00 0.00 6.93 7.02 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 75 F 9.15 4.10 0.00 3.12 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 76 S 7.80 4.81 0.00 3.96 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 77 D 8.47 4.32 0.00 2.74 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 78 E 7.78 3.90 0.00 2.02 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 0.00 2.26 2.47 0.00 79 K 7.89 3.84 0.00 1.46 1.69 0.00 1.55 0.00 0.00 1.38 0.00 0.00 2.71 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.68 0.21 7.81 80 V 7.90 3.69 2.32 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 1.07 0.00 0.00 1.12 0.00 0.00 81 K 8.36 4.26 0.00 1.87 1.95 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.46 7.81 82 G 8.14 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 83 I 7.68 3.78 1.90 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 1.72 0.26 0.77 0.00 0.00 84 E 8.23 3.98 0.00 2.15 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 2.33 2.55 0.00 85 E 8.21 3.93 0.00 2.19 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 2.29 2.34 0.00 86 L 7.82 4.05 0.00 2.04 1.93 1.02 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 87 I 8.18 3.80 2.06 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 1.56 0.98 0.95 0.00 0.00 88 T 7.86 3.87 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 1.21 0.00 0.00 89 N 8.39 4.42 0.00 2.51 2.64 0.00 0.00 7.13 8.00 0.00 0.00 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 Y 8.12 3.98 0.00 3.22 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 91 S 8.35 4.28 0.00 4.10 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 92 K 7.51 3.99 0.00 1.80 1.87 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.75 7.81 93 E 8.16 4.19 0.00 2.10 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 0.00 2.36 2.37 0.00 94 L 7.18 4.57 0.00 1.76 1.59 0.91 0.82 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 95 E 8.20 4.51 0.00 1.95 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 2.25 2.31 0.00 96 P 0.00 4.33 0.00 2.04 1.98 0.00 3.66 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 2.03 2.07 0.00 97 L 8.31 4.58 0.00 1.62 1.55 1.13 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 98 R 8.26 4.67 0.00 1.79 1.86 0.00 3.30 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.59 0.00 99 N 7.78 4.85 0.00 2.69 2.79 0.00 0.00 7.12 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 0.00 100 F 8.77 4.41 0.00 3.24 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 0.00 101 V 8.67 4.58 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 0.92 0.00 0.00 1.07 0.00 0.00 102 L 8.73 4.88 0.00 1.55 1.58 1.09 1.14 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 0.00 103 P 0.00 3.78 0.00 1.96 1.93 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 104 G 8.77 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 0.00 105 G 8.18 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 0.00 106 H 9.87 4.19 0.00 3.19 3.18 0.00 5.61 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 I 8.29 3.68 1.91 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.42 0.97 0.00 0.00 108 A 8.43 4.30 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 0.00 109 S 7.93 3.92 0.00 3.85 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 0.00 110 S 8.11 4.15 0.00 3.90 3.68 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 0.00 111 F 8.32 4.35 0.00 3.22 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 0.00 112 L 7.93 4.07 0.00 1.78 1.78 0.74 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.16 4.30 0.00 3.43 3.37 0.00 5.62 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.87 3.96 0.00 1.92 1.94 1.11 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 115 A 8.33 4.04 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 0.00 116 R 8.52 3.84 0.00 1.98 2.25 0.00 3.30 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.90 0.00 117 A 8.20 3.99 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 0.00 118 V 8.28 3.61 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 1.11 0.00 0.00 1.00 0.00 0.00 119 C 8.58 4.18 0.00 3.12 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 0.00 120 R 8.26 3.94 0.00 2.08 1.96 0.00 3.18 0.00 0.00 3.10 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 121 R 7.93 3.87 0.00 1.92 2.12 0.00 3.10 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 122 A 8.41 4.02 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 0.00 123 E 8.44 3.87 0.00 2.23 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 2.33 2.39 0.00 124 R 7.96 3.96 0.00 2.05 1.98 0.00 3.18 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.98 0.00 125 S 7.97 4.12 0.00 4.04 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 0.00 126 V 8.04 3.61 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 1.03 0.00 0.00 0.97 0.00 0.00 127 V 8.37 3.66 2.22 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 0.98 0.00 0.00 0.97 0.00 0.00 128 T 7.62 3.89 4.46 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 1.21 0.00 0.00 129 L 7.71 4.18 0.00 1.81 1.71 0.91 0.48 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 0.00 130 L 7.81 3.94 0.00 1.99 1.70 0.94 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.69 4.12 0.00 1.72 1.86 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.70 7.81 132 E 7.56 4.57 0.00 1.91 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 2.19 2.22 0.00 133 S 8.15 3.77 0.00 3.98 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 0.00 134 K 8.46 4.42 0.00 1.81 1.82 0.00 1.71 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.58 7.81 135 A 7.38 4.69 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 0.00 136 K 8.27 4.42 0.00 1.25 1.60 0.00 1.67 0.00 0.00 1.72 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.26 7.81 137 E 8.66 4.01 0.00 2.04 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 0.00 2.40 2.38 0.00 138 V 7.79 3.80 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 1.12 0.00 0.00 1.19 0.00 0.00 139 H 8.02 4.24 0.00 3.41 3.31 0.00 5.65 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 0.00 140 A 8.08 4.05 1.41 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 0.00 0.00 0.00 141 K 8.29 3.95 0.00 1.91 1.92 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.48 7.81 142 Y 8.57 4.02 0.00 3.54 3.31 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 0.00 143 L 8.35 4.09 0.00 1.95 1.76 0.96 0.60 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 0.00 144 N 8.26 4.57 0.00 3.03 2.98 0.00 0.00 6.98 7.25 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 0.00 145 R 8.14 3.97 0.00 1.82 1.87 0.00 3.34 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.75 0.00 146 L 8.06 3.82 0.00 1.51 1.78 0.91 0.91 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 0.00 147 S 8.00 4.17 0.00 4.14 4.12 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 0.00 0.00 0.00 148 S 7.72 4.18 0.00 4.17 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 0.00 149 L 8.05 3.99 0.00 1.75 1.80 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.32 3.92 0.00 1.88 1.86 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 151 F 8.12 4.01 0.00 3.07 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 0.00 152 V 7.83 3.50 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 1.09 0.00 0.00 1.11 0.00 0.00 153 L 8.00 3.67 0.00 1.70 1.45 0.75 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 154 A 7.67 3.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 L 7.31 3.76 0.00 1.52 1.56 0.81 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 156 V 7.77 3.57 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 1.00 0.00 0.00 1.03 0.00 0.00 157 V 7.63 3.20 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 0.29 0.00 0.00 0.24 0.00 0.00 158 N 7.83 4.29 0.00 2.85 3.07 0.00 0.00 6.69 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 0.00 159 K 8.38 3.89 0.00 1.80 1.92 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 160 R 8.40 4.05 0.00 1.85 2.07 0.00 3.30 0.00 0.00 3.39 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 161 T 7.57 4.45 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 1.35 0.00 0.00 162 N 7.84 4.18 0.00 2.91 2.98 0.00 0.00 6.77 7.73 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 0.00 163 N 8.27 4.92 0.00 2.78 2.74 0.00 0.00 6.86 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 0.00 164 P 0.00 4.42 0.00 2.04 1.98 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 165 N 8.42 4.55 0.00 2.72 2.76 0.00 0.00 6.89 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 0.00 166 V 8.14 4.28 2.30 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 0.96 0.00 0.00 0.93 0.00 0.00 167 I 8.14 5.19 1.99 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 1.26 0.88 0.97 0.00 0.00 168 W 9.03 4.20 0.00 3.35 3.42 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 0.00 169 R 8.30 3.81 0.00 0.73 1.49 0.00 3.25 0.00 0.00 3.02 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.05 0.00 * Residues marked with a * may have inaccurate shift predictions.