NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 20 S 4.3919 8.3349 115.2896 58.0517 62.7590 172.7063 21 L 4.3279 8.2017 128.3089 52.4966 42.9686 175.4396 22 A 4.1770 9.1030 127.2011 51.3915 20.0010 175.3971 23 P 4.5476 0.0000 0.0000 62.2805 32.4625 176.1810 24 G 4.4259 7.9867 108.7339 43.8331 0.0000 172.8118 25 K 4.1715 8.4736 118.3973 56.2265 32.7586 176.2092 26 A 4.7864 8.1884 123.9290 50.5717 22.4088 175.0020 27 E 4.7674 8.2863 117.9792 54.0115 32.7424 176.4763 28 S 4.2263 8.5362 116.2324 58.7551 62.9627 173.5073 29 D 4.8892 8.5997 125.3338 53.8708 41.5240 175.1854 30 A 4.7416 7.5859 119.6234 48.7595 21.2357 175.5854 31 P 4.5232 0.0000 0.0000 62.3958 32.4181 175.4350 32 L 4.5463 8.0159 118.3517 53.3689 42.9399 177.1140 33 V 4.2707 7.9676 120.7620 60.1693 33.9391 174.8724 34 R 4.6610 8.3316 122.9198 54.1554 33.7905 174.8331 35 T 4.2655 8.5534 119.7496 65.2177 68.9292 174.8205 36 G 3.9587 9.6833 114.4936 44.8861 0.0000 172.6363 37 A 4.9198 7.5462 120.1147 49.3323 22.8648 175.6023 38 L 4.6105 8.4995 118.7667 54.8091 42.2243 177.5662 39 A 4.2357 8.8885 125.5998 51.0553 19.2952 175.8680 40 P 4.2131 0.0000 0.0000 62.5318 31.8680 176.6791 41 N 4.6375 8.6554 120.8631 53.7107 39.4469 173.9999 42 F 5.0885 7.8133 113.9728 56.1031 41.3272 172.6690 43 K 5.0921 8.7375 120.5754 55.0968 34.8790 175.1559 44 L 5.1412 9.1430 126.2816 52.1538 46.9666 173.8484 45 P 5.1202 0.0000 0.0000 62.6505 32.8170 176.8465 46 T 5.0090 9.0970 113.6731 59.9065 70.7479 175.1651 47 L 3.8684 8.3988 120.3688 57.4544 41.6217 178.1919 48 S 4.4466 8.0548 110.8308 57.5452 63.3841 174.4057 49 G 3.8367 7.7969 108.4321 46.5560 0.0000 173.4560 50 E 4.4755 7.8291 120.0485 55.1428 31.3943 174.5611 51 N 5.4706 8.5506 120.5761 51.7017 41.2324 174.1099 52 K 5.0422 9.1598 122.0861 54.5980 35.9598 175.3883 53 S 4.9532 8.9746 118.0037 56.2020 65.6968 174.1547 54 L 3.8808 7.7018 122.6226 58.0553 42.1615 179.3214 55 A 4.0515 7.7899 121.2395 54.7931 18.5066 179.1577 56 Q 3.8962 7.6287 113.0128 58.6790 28.8781 176.6670 57 Y 4.5557 7.6907 115.8432 57.5191 38.1404 175.3958 58 R 4.0949 7.4261 119.8483 58.3207 30.5001 177.0062 59 G 4.0647 9.2985 110.8144 44.7058 0.0000 173.3017 60 K 4.7968 8.0308 118.2122 54.2787 36.4024 175.4423 61 I 4.3672 8.1067 122.8497 61.1617 38.5687 175.2753 62 V 4.6305 8.8393 126.5867 61.0061 34.6962 174.1174 63 L 4.7955 8.7835 128.4517 53.3286 43.2157 176.1599 64 V 4.1885 8.7303 126.6102 61.8575 32.4279 173.9874 65 N 5.3054 8.7089 128.0486 51.7144 41.5453 172.9975 66 F 5.4233 9.4325 125.5817 55.7993 41.4462 174.9331 67 W 5.4756 8.6601 118.6895 55.3698 32.1811 173.2392 68 A 4.1976 8.0331 121.1743 49.6524 21.4557 177.5912 69 S 4.1944 8.7252 116.2184 60.5588 63.2465 175.5780 70 W 4.4286 7.2966 116.1381 57.3364 28.8716 175.8843 71 C 4.5163 7.3014 121.1164 57.5767 31.9674 172.0074 72 P 4.2105 0.0000 0.0000 66.2754 30.7289 178.1259 73 Y 4.3609 7.1448 115.8647 60.7744 37.5984 177.8393 74 C 4.2505 8.0308 116.7705 62.9581 28.4356 175.8369 75 R 4.1612 7.7323 118.1357 59.4583 29.7544 178.6139 76 D 4.5808 8.3944 118.2656 56.4757 42.3085 177.8421 77 E 4.3661 7.8745 120.4663 54.8918 26.6029 175.2455 *79 P 4.4161 0.0000 0.0000 63.3520 34.1261 180.6049 80 S 4.4067 7.5607 111.3243 58.5207 62.4886 175.7219 *82 D 4.5301 8.2949 122.0152 55.4188 43.0328 177.4840 83 R 3.9673 8.1650 117.9939 59.0156 29.7431 178.6360 84 L 4.0911 7.9244 119.0946 58.3807 42.3035 178.9493 85 V 3.6805 7.7698 117.4632 66.0264 31.3759 177.9031 86 K 4.1248 8.0874 116.7612 58.6750 31.9380 178.8723 87 S 4.3991 7.8284 113.3119 59.3807 63.5591 174.6066 88 F 4.3796 7.3727 120.9143 55.5992 39.8796 173.6253 89 P 4.2742 0.0000 0.0000 62.4773 31.6754 176.0150 90 K 3.8531 8.6628 122.6203 58.4044 32.1579 177.1111 91 G 4.0366 8.9598 113.5894 45.8500 0.0000 173.9933 92 D 4.4819 8.5006 120.5139 56.0650 41.1450 175.7397 93 L 4.9540 7.7344 120.3276 52.9041 44.4510 175.8218 94 V 4.1972 8.5597 126.1997 60.9176 34.4350 174.0208 95 V 4.3414 8.0732 127.2674 61.2464 33.5953 174.1908 96 L 4.6687 8.6485 128.8518 53.3893 43.0223 175.2318 97 A 4.5363 8.6434 128.0300 50.5127 19.0853 174.7894 98 V 4.3649 8.8324 121.2970 62.3949 32.0916 174.3005 99 N 3.8734 9.3414 128.7280 53.1962 39.6803 175.5804 100 V 4.2337 7.6719 118.1666 61.3110 32.3798 176.3469 101 E 4.2294 7.5854 120.3279 55.3821 30.3352 176.5628 102 K 3.9785 8.7922 122.9723 58.8763 32.3604 177.0073 103 R 4.6370 7.5377 116.7504 53.7506 32.2450 174.7832 104 F 3.8738 8.7589 127.5294 57.1258 40.1611 172.6810 105 P 4.2540 0.0000 0.0000 62.5824 31.0907 176.1188 106 E 4.1049 9.1522 125.3947 59.6777 29.0524 178.7306 107 K 3.9850 8.1792 117.6305 59.5863 32.0809 178.0930 108 Y 4.1442 8.3234 115.5495 59.5281 37.6367 177.8775 109 R 4.2400 8.2247 119.1552 58.1794 30.1142 177.4145 110 R 4.5688 7.3230 115.5368 55.5658 30.5809 175.6479 111 A 4.1560 7.6828 122.0973 51.5595 19.1105 177.4992 112 P 4.5922 0.0000 0.0000 62.8837 31.1670 176.1692 113 V 4.2345 7.1515 109.8953 60.5959 35.1735 176.8283 114 S 4.4160 7.9381 118.8675 58.3241 61.8766 174.2220 115 F 4.9745 6.8813 117.6427 55.7087 42.7021 177.1701 116 N 4.6484 8.6874 120.0321 51.9529 38.8929 174.3068 117 F 5.2496 8.5107 123.6754 57.3673 40.4550 174.9507 118 L 5.1327 9.3549 122.2764 53.0422 46.0320 175.2382 119 S 5.1480 8.5416 114.6135 56.3207 65.0913 173.7393 120 D 4.9369 8.0166 122.7921 52.3772 40.6871 176.1952 121 A 4.0522 8.0234 125.0161 55.2291 19.0848 179.4237 122 T 3.9736 7.8553 104.1399 62.6828 69.4359 175.8080 123 G 3.9889 8.3311 110.8604 46.0935 0.0000 175.5480 124 Q 3.9860 7.9569 119.1637 58.9029 28.6615 178.6774 125 V 3.6338 8.2397 119.4003 65.8882 31.5992 177.7971 126 Q 3.1231 8.5964 119.5973 59.0159 28.8026 178.1970 127 Q 3.8974 8.0212 120.4884 59.3059 28.8983 178.4402 128 R 3.8923 8.0123 118.1019 59.0296 30.1670 177.7679 129 Y 3.8697 7.9312 114.1178 57.0375 38.1392 175.5707 130 G 3.9055 7.7991 107.7111 46.5602 0.0000 175.0347 131 A 4.9583 7.8427 122.0677 49.8904 16.9430 177.9864 132 N 4.8195 7.8729 114.9826 51.7977 38.5173 176.1852 133 R 4.8038 7.6819 116.7261 54.6154 33.8659 174.4634 134 L 5.0076 8.2634 120.1003 52.0247 45.4447 174.7897 135 P 4.8508 0.0000 0.0000 63.0339 33.2575 174.5167 136 D 5.2095 8.9739 119.5398 53.0621 44.6791 174.1241 137 T 4.9524 8.9812 122.3900 61.8070 72.2389 172.7696 138 F 5.1723 9.5868 125.3507 55.8598 41.7200 174.8428 139 I 4.5931 9.0364 126.0728 60.4799 38.2970 174.8939 140 V 4.9376 8.9224 129.0804 61.0978 33.5846 175.8919 141 D 4.9535 9.0085 128.4133 52.3693 40.9627 177.1934 142 R 4.1925 8.4355 116.1732 58.4397 30.0216 178.4589 143 K 4.3562 8.3395 115.1087 56.1370 32.4076 177.3973 144 G 4.0050 8.3873 108.6657 45.0895 0.0000 173.4855 145 I 4.3782 7.6775 121.2491 60.6983 38.1287 174.9797 146 I 4.4507 8.6135 126.4344 61.7321 37.0788 176.8124 147 R 4.6055 9.2967 127.7432 58.1208 31.1394 176.9066 148 Q 4.6585 8.0282 117.5404 55.0039 32.5653 172.6535 149 R 4.6590 8.5765 125.2996 54.6052 32.0128 175.2734 150 V 4.2042 8.7450 126.6489 61.5494 33.7737 174.0853 151 T 4.7329 7.8693 125.1966 62.6184 69.5916 175.6617 152 G 3.8893 9.3100 112.9270 44.5630 0.0000 172.9380 153 G 4.0432 8.1831 108.3415 45.7827 0.0000 173.1849 154 I 4.3316 8.0749 116.6339 58.4919 40.9965 174.9948 155 E 4.2286 8.0681 121.1708 54.8517 28.1635 176.6408 156 W 4.1951 8.6905 126.5943 58.3924 29.4608 177.0473 157 D 4.9051 8.0371 116.1500 52.8317 39.4752 176.8619 158 A 4.1551 7.7697 122.4679 51.7558 20.1272 177.0823 159 P 4.2217 0.0000 0.0000 65.8458 31.4639 179.1428 160 K 3.9524 8.0209 117.7317 59.3411 32.0391 178.9775 161 V 3.6218 7.6612 118.1641 65.9359 31.5469 178.0055 162 V 3.7907 8.0083 118.0643 66.0900 31.4067 177.7697 163 S 4.1098 8.4752 113.2150 61.6129 62.0021 175.4579 164 Y 4.1069 8.0123 120.7700 60.8690 38.8777 177.8363 165 L 4.1256 8.4401 119.9959 57.8282 41.6903 179.7075 166 K 4.1688 8.6230 118.9036 59.1762 31.7507 178.9339 167 S 4.2859 7.7593 112.6809 59.7803 63.1479 175.1730 168 L 4.3190 7.6072 121.4294 54.5634 42.0979 176.0851 169 E 4.2604 8.2240 124.1135 56.4631 30.0240 174.6257 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 20 S 8.33 4.39 0.00 3.84 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 21 L 8.20 4.33 0.00 1.75 1.57 0.92 0.57 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 22 A 9.10 4.18 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 23 P 0.00 4.55 0.00 2.05 1.99 0.00 3.63 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 2.02 2.07 0.00 24 G 7.99 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 25 K 8.47 4.17 0.00 1.76 1.75 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 26 A 8.19 4.79 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 27 E 8.29 4.77 0.00 1.92 1.82 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 2.19 2.24 0.00 28 S 8.54 4.23 0.00 3.82 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 29 D 8.60 4.89 0.00 2.62 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 30 A 7.59 4.74 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 31 P 0.00 4.52 0.00 2.13 2.06 0.00 3.72 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 1.93 1.95 0.00 32 L 8.02 4.55 0.00 1.61 1.60 0.91 0.79 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 33 V 7.97 4.27 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 0.71 0.00 0.00 0.71 0.00 0.00 34 R 8.33 4.66 0.00 1.84 1.83 0.00 3.13 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 35 T 8.55 4.27 4.30 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 1.33 0.00 0.00 36 G 9.68 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 37 A 7.55 4.92 1.23 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 38 L 8.50 4.61 0.00 1.55 1.64 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.89 4.24 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 40 P 0.00 4.21 0.00 1.69 1.83 0.00 3.14 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.78 0.00 41 N 8.66 4.64 0.00 2.76 2.78 0.00 0.00 6.91 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 42 F 7.81 5.09 0.00 3.19 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 43 K 8.74 5.09 0.00 1.73 1.72 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.74 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.34 1.45 7.81 44 L 9.14 5.14 0.00 1.76 1.68 0.98 0.80 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 45 P 0.00 5.12 0.00 2.13 2.20 0.00 4.07 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 46 T 9.10 5.01 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 1.30 0.00 0.00 47 L 8.40 3.87 0.00 1.64 1.69 1.06 0.03 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 48 S 8.05 4.45 0.00 3.97 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 49 G 7.80 3.84 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 0.00 0.00 0.00 50 E 7.83 4.48 0.00 2.11 1.82 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 2.27 2.28 0.00 51 N 8.55 5.47 0.00 2.68 2.70 0.00 0.00 6.63 7.64 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 52 K 9.16 5.04 0.00 1.74 1.80 0.00 1.69 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.39 7.81 53 S 8.97 4.95 0.00 3.73 3.71 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 54 L 7.70 3.88 0.00 0.82 1.30 0.94 1.31 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 55 A 7.79 4.05 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 56 Q 7.63 3.90 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.99 0.00 0.00 0.00 0.00 0.00 1.90 1.16 0.00 57 Y 7.69 4.56 0.00 3.15 2.94 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 58 R 7.43 4.09 0.00 1.81 1.89 0.00 3.30 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.74 0.00 59 G 9.30 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 K 8.03 4.80 0.00 1.93 1.68 0.00 1.78 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.46 1.42 7.81 61 I 8.11 4.37 1.76 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 1.11 0.72 0.90 0.00 0.00 62 V 8.84 4.63 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.89 0.00 0.00 63 L 8.78 4.80 0.00 1.18 1.14 0.12 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 64 V 8.73 4.19 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 0.15 0.00 0.00 1.04 0.00 0.00 65 N 8.71 5.31 0.00 2.48 2.29 0.00 0.00 6.79 7.97 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 66 F 9.43 5.42 0.00 3.11 2.94 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 67 W 8.66 5.48 0.00 3.35 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 68 A 8.03 4.20 0.02 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 0.00 0.00 69 S 8.73 4.19 0.00 4.14 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 70 W 7.30 4.43 0.00 3.47 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 71 C 7.30 4.52 0.00 2.20 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 72 P 0.00 4.21 0.00 1.89 2.13 0.00 3.58 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.73 0.00 73 Y 7.14 4.36 0.00 3.10 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 74 C 8.03 4.25 0.00 3.23 3.12 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 75 R 7.73 4.16 0.00 2.00 2.08 0.00 3.31 0.00 0.00 3.56 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.93 0.00 76 D 8.39 4.58 0.00 2.77 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 77 E 7.87 4.37 0.00 2.57 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 2.65 2.39 0.00 *79 P 0.00 4.42 0.00 2.29 2.21 0.00 3.88 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 80 S 7.56 4.41 0.00 4.53 4.19 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 *82 D 8.29 4.53 0.00 2.67 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.16 3.97 0.00 2.13 2.02 0.00 3.22 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.89 0.00 84 L 7.92 4.09 0.00 1.87 1.79 1.25 1.06 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 85 V 7.77 3.68 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 1.08 0.00 0.00 0.89 0.00 0.00 86 K 8.09 4.12 0.00 1.87 1.86 0.00 1.91 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.39 7.81 87 S 7.83 4.40 0.00 4.10 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 0.00 88 F 7.37 4.38 0.00 3.05 3.05 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 0.00 0.00 0.00 89 P 0.00 4.27 0.00 2.41 2.01 0.00 3.70 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 2.22 2.07 0.00 90 K 8.66 3.85 0.00 1.72 1.77 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.48 7.81 91 G 8.96 4.04 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 0.00 0.00 0.00 92 D 8.50 4.48 0.00 3.14 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 7.73 4.95 0.00 0.83 1.11 0.66 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 94 V 8.56 4.20 1.69 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 -0.12 0.00 0.00 0.77 0.00 0.00 95 V 8.07 4.34 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 0.36 0.00 0.00 0.57 0.00 0.00 96 L 8.65 4.67 0.00 1.55 1.63 0.96 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 97 A 8.64 4.54 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.83 4.36 1.44 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 0.87 0.00 0.00 0.49 0.00 0.00 99 N 9.34 3.87 0.00 2.20 2.67 0.00 0.00 6.80 7.97 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 0.00 100 V 7.67 4.23 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 0.86 0.00 0.00 0.85 0.00 0.00 101 E 7.59 4.23 0.00 1.86 1.82 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 2.35 1.94 0.00 102 K 8.79 3.98 0.00 1.71 1.85 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.45 7.81 103 R 7.54 4.64 0.00 1.79 1.77 0.00 3.32 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 104 F 8.76 3.87 0.00 3.03 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 0.00 105 P 0.00 4.25 0.00 2.41 2.11 0.00 2.20 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.43 0.00 106 E 9.15 4.10 0.00 2.10 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 0.00 2.47 2.43 0.00 107 K 8.18 3.98 0.00 1.74 1.66 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.54 7.81 108 Y 8.32 4.14 0.00 3.13 2.64 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 0.00 109 R 8.22 4.24 0.00 1.96 2.06 0.00 3.20 0.00 0.00 3.26 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 2.05 0.00 110 R 7.32 4.57 0.00 1.78 1.91 0.00 3.17 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 111 A 7.68 4.16 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 0.00 112 P 0.00 4.59 0.00 2.14 2.09 0.00 3.69 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.95 0.00 113 V 7.15 4.23 0.67 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 0.52 0.00 0.00 0.64 0.00 0.00 114 S 7.94 4.42 0.00 3.69 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 0.00 115 F 6.88 4.97 0.00 1.83 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 N 8.69 4.65 0.00 2.66 2.77 0.00 0.00 7.14 8.90 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 0.00 117 F 8.51 5.25 0.00 3.07 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 9.35 5.13 0.00 1.67 1.61 1.12 0.57 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 0.00 119 S 8.54 5.15 0.00 3.96 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 0.00 120 D 8.02 4.94 0.00 2.80 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.02 4.05 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 0.00 122 T 7.86 3.97 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 0.00 123 G 8.33 3.99 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 0.00 0.00 0.00 124 Q 7.96 3.99 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.77 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 125 V 8.24 3.63 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 0.58 0.00 0.00 1.02 0.00 0.00 126 Q 8.60 3.12 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.09 1.86 0.00 127 Q 8.02 3.90 0.00 2.22 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.57 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 128 R 8.01 3.89 0.00 1.97 1.90 0.00 3.24 0.00 0.00 3.33 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.82 0.00 129 Y 7.93 3.87 0.00 2.56 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 7.80 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 0.00 131 A 7.84 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.87 4.82 0.00 2.83 2.92 0.00 0.00 6.13 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 0.00 133 R 7.68 4.80 0.00 1.80 1.87 0.00 3.17 0.00 0.00 3.24 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 134 L 8.26 5.01 0.00 1.51 1.48 0.71 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 135 P 0.00 4.85 0.00 2.28 2.28 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.09 0.00 136 D 8.97 5.21 0.00 3.17 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 0.00 137 T 8.98 4.95 4.52 0.00 0.00 0.00 0.00 0.00 0.00 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 0.00 138 F 9.59 5.17 0.00 3.13 3.23 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 0.00 139 I 9.04 4.59 2.09 0.00 0.00 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 1.35 0.79 1.10 0.00 0.00 140 V 8.92 4.94 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 1.18 0.00 0.00 1.11 0.00 0.00 141 D 9.01 4.95 0.00 2.94 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 0.00 142 R 8.44 4.19 0.00 1.91 2.04 0.00 3.40 0.00 0.00 3.32 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 143 K 8.34 4.36 0.00 1.87 1.85 0.00 1.70 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.38 7.81 144 G 8.39 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 0.00 145 I 7.68 4.38 2.21 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 1.45 1.00 0.99 0.00 0.00 146 I 8.61 4.45 2.18 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 1.48 0.69 1.22 0.00 0.00 147 R 9.30 4.61 0.00 1.82 2.17 0.00 3.44 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.76 0.00 148 Q 8.03 4.66 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 149 R 8.58 4.66 0.00 1.76 1.72 0.00 3.23 0.00 0.00 3.14 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.59 0.00 150 V 8.74 4.20 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 0.82 0.00 0.00 0.85 0.00 0.00 151 T 7.87 4.73 4.19 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 1.21 0.00 0.00 152 G 9.31 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 0.00 0.00 0.00 153 G 8.18 4.04 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 0.00 0.00 0.00 154 I 8.07 4.33 1.43 0.00 0.00 -0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.28 -0.36 0.63 0.00 0.00 155 E 8.07 4.23 0.00 2.02 1.82 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 2.34 2.53 0.00 156 W 8.69 4.20 0.00 3.26 3.29 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 0.00 157 D 8.04 4.91 0.00 2.85 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 0.00 158 A 7.77 4.16 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 0.00 159 P 0.00 4.22 0.00 2.17 2.14 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 2.12 2.17 0.00 160 K 8.02 3.95 0.00 1.81 1.77 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 161 V 7.66 3.62 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 1.17 0.00 0.00 0.78 0.00 0.00 162 V 8.01 3.79 2.17 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 1.11 0.00 0.00 1.13 0.00 0.00 163 S 8.48 4.11 0.00 4.00 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 0.00 164 Y 8.01 4.11 0.00 3.07 3.24 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 0.00 165 L 8.44 4.13 0.00 2.12 1.80 1.06 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.62 4.17 0.00 1.97 1.86 0.00 1.63 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.62 7.81 167 S 7.76 4.29 0.00 4.00 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 L 7.61 4.32 0.00 1.66 1.69 0.84 0.52 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 0.00 169 E 8.22 4.26 0.00 2.01 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 0.00 2.19 2.23 0.00 * Residues marked with a * may have inaccurate shift predictions.