NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 Y 4.7430 8.1444 118.3400 58.0633 39.6097 174.6927 10 D 4.6399 8.3572 121.7976 51.5065 44.8545 174.5306 11 N 4.5249 9.2885 124.8486 56.4009 39.0844 176.7490 12 R 4.0704 8.1037 121.0015 58.9164 30.2061 177.9892 13 E 3.9845 8.3977 118.5783 59.3675 29.7510 178.8209 14 I 3.7758 7.8330 119.8415 64.3039 37.1418 178.6059 15 V 4.0468 8.3705 119.3557 66.3986 31.3557 177.9255 16 M 4.5723 8.7629 121.2937 59.3218 32.0037 179.6720 17 K 4.1220 8.2958 123.7673 59.6904 31.3272 180.3999 18 Y 4.1893 8.1251 119.9528 60.9124 38.7915 178.2820 19 I 3.6937 8.2404 120.7867 64.4899 37.1641 177.8578 20 H 4.4547 8.9776 119.5955 59.6278 29.7401 176.7574 21 Y 4.0219 7.9925 122.1858 59.8461 38.4083 177.4520 22 K 3.7272 7.5787 119.3616 59.5870 32.4511 178.4478 23 L 4.0656 8.0621 119.5084 57.6538 41.1932 179.3533 24 S 4.2372 8.4104 114.6296 61.8039 62.3995 176.6273 25 Q 3.8620 7.3915 120.0316 58.1262 28.3548 177.4758 26 R 4.2608 7.8273 117.3138 55.7535 30.1168 177.1779 27 G 3.7688 8.1938 105.7728 45.8030 0.0000 173.0769 28 Y 4.2803 7.7448 120.4488 55.7194 39.0219 175.4068 29 E 4.2771 8.0859 128.4846 54.6242 28.8213 175.4560 30 W 4.5742 8.3684 133.8227 56.5105 31.5901 175.9814 31 D 4.1048 8.6386 123.5913 54.3449 41.2249 177.2424 32 A 2.0000 5.8000 120.0564 52.0994 17.6545 176.1282 *49 S 4.1057 8.2109 106.0895 58.4831 64.2706 175.4053 50 E 4.0964 8.5799 128.8629 59.1466 29.5174 178.7083 51 V 3.5848 7.8943 118.0370 66.1441 31.4038 177.9735 52 V 3.6523 7.5102 116.7921 66.3870 31.5107 177.7242 53 H 4.1526 7.5055 114.4957 58.9589 28.6043 178.0726 54 K 3.9855 8.0807 120.2472 59.6681 31.7335 179.6938 55 T 3.9509 8.2360 116.3576 66.4852 68.3697 176.6567 56 L 4.1451 8.2667 122.4481 57.9190 41.9490 178.9373 57 R 3.9784 7.9295 118.3401 59.5312 29.9873 178.1678 58 E 3.9532 8.3562 118.8059 59.1192 29.5787 178.3983 59 A 4.3028 8.5005 121.3163 55.2336 18.4060 179.6234 60 G 3.9832 8.7824 105.7234 47.6791 0.0000 175.4319 61 D 4.4861 8.5651 122.2304 57.1250 40.8812 178.7603 62 D 4.4625 8.6688 119.6688 57.2536 40.9532 178.5661 63 F 4.3432 8.7626 121.5323 61.6192 39.4091 177.4656 64 S 4.4924 8.6867 113.8059 61.2803 62.5087 176.5703 65 R 3.9483 7.9363 121.2999 59.2894 29.9267 178.6026 66 R 3.8507 7.9165 117.0809 58.2882 30.4081 176.4613 67 Y 4.7583 7.5840 116.4203 57.1705 39.0307 178.1000 68 R 4.2787 8.3025 122.5840 59.2203 30.3007 177.0673 69 R 3.9576 7.9745 117.9411 59.5405 30.2052 177.9643 70 D 4.3330 8.1448 118.2768 57.3615 40.8221 178.6545 71 F 4.1625 8.7021 118.5967 60.4195 38.9941 177.5444 72 A 4.1108 8.2365 120.5484 55.2970 17.9445 179.5961 73 E 3.9910 8.3194 116.4807 59.5381 29.5949 178.9022 74 M 4.1896 8.0401 117.6663 58.7224 32.6240 178.1156 75 S 4.2648 8.2255 115.3420 61.2584 64.1304 174.8099 76 S 4.7708 7.8451 115.3755 56.9510 60.3166 174.9319 77 G 4.9762 7.2322 121.8682 46.4769 0.0000 171.6191 78 L 4.0137 7.7919 123.1038 56.0300 42.7320 176.3976 79 H 4.0813 7.8623 114.8689 56.4365 26.1875 174.5500 80 L 4.3514 7.6532 120.4884 54.5625 43.2067 175.3279 81 T 4.7543 8.4526 114.7964 59.2368 72.0615 172.9528 82 P 4.3100 0.0000 0.0000 64.9084 31.3037 177.9331 83 F 4.6364 7.6330 116.5221 59.1400 39.2719 176.9285 84 T 4.5233 7.8355 109.1970 61.6125 69.6603 176.0859 85 A 4.1014 7.8503 124.2703 55.4518 18.4271 179.2830 86 R 2.5115 8.1367 116.6611 59.2438 30.0318 178.7454 87 G 3.5493 7.9183 104.8314 47.6545 0.0000 175.4504 88 R 3.9386 8.3395 121.4665 59.0857 30.0792 178.1848 89 F 4.3282 8.5160 120.3186 61.4576 39.4182 176.7812 90 A 3.9028 8.3363 120.5692 55.4967 18.2115 179.5831 91 T 3.6904 7.8814 111.4400 65.1253 67.3732 176.6421 92 V 3.4918 7.5136 121.4899 65.2362 31.5246 178.2120 93 V 3.0892 7.3232 117.9153 65.7338 31.0763 177.2470 94 E 3.8938 7.5700 117.6610 59.5635 29.1645 178.4733 95 E 3.9652 7.9980 118.1392 59.2384 29.2974 178.8080 96 L 3.6147 7.5007 119.3562 57.7395 42.2063 178.3091 97 F 4.9821 7.3134 115.7704 56.2366 38.9235 177.4404 98 R 3.8650 7.3942 120.7984 59.6836 29.8089 177.2318 99 D 4.6291 7.9412 114.7850 54.3108 40.6360 176.6082 100 G 3.8138 8.2906 107.2036 44.7590 0.0000 172.8624 101 V 4.2198 7.4913 117.3084 60.9949 33.4863 174.8216 102 N 4.7387 7.6490 121.6817 50.1590 41.4392 175.4126 103 W 4.7917 9.1466 120.9540 60.2623 29.1304 178.9581 104 G 3.9089 8.5976 105.1442 47.9918 0.0000 175.7567 105 R 3.9616 8.5583 120.2137 58.7861 30.0949 179.0685 106 I 4.0284 8.0399 119.9155 64.3164 37.0403 178.4534 107 V 3.6756 8.3672 119.1493 66.1083 31.3796 177.9484 108 A 3.2469 7.6859 120.3490 54.6791 18.1489 179.0578 109 F 4.0624 8.4284 119.4897 61.7449 39.3266 177.4553 110 F 3.6455 8.3989 116.9926 60.4933 38.1404 177.4074 111 E 4.2654 8.4244 119.6385 58.8472 29.2159 179.3451 112 F 4.4941 8.9746 121.0765 61.3432 39.5353 177.3727 113 G 3.5520 8.1559 105.5230 47.6882 0.0000 175.8157 114 G 3.7081 8.5012 108.3800 47.5335 0.0000 175.9096 115 V 3.5257 7.9743 120.8871 65.9709 31.4929 177.9651 116 M 3.8688 7.8073 118.4911 58.5662 31.7726 178.6183 117 C 3.8541 7.9063 116.7025 62.6608 28.1736 176.3929 118 V 3.4089 7.7411 119.8842 66.0218 31.2364 177.9919 119 E 3.8877 8.4361 118.7450 59.2256 29.2230 179.2962 120 S 4.0104 8.0714 115.5043 61.7522 62.9222 177.1092 121 V 3.3149 7.5248 120.5576 65.9598 31.0064 177.8689 122 N 4.3844 8.1895 115.3276 55.5183 38.3508 176.5425 123 R 4.3679 7.4686 116.8809 54.9987 30.5775 175.8372 124 E 3.8125 7.9611 117.0244 58.3020 27.3466 174.4607 125 M 4.7617 8.1263 116.3412 54.8276 33.1560 178.5996 126 S 3.9496 8.0276 115.9218 60.5355 62.9383 173.1035 127 P 4.3085 0.0000 0.0000 65.4227 30.8922 178.1007 128 L 3.8161 7.9820 117.7585 57.1299 41.2661 179.3049 129 V 3.1587 7.3766 118.7266 66.1093 31.2226 177.6791 130 D 4.4734 7.6665 117.8479 57.4722 40.6458 178.5579 131 N 3.7139 7.6334 116.2668 56.0550 38.4335 177.3692 132 I 2.8454 7.0035 120.8979 63.9798 37.0568 178.3406 133 A 3.9177 7.7971 121.7541 54.9040 18.0977 179.3548 134 L 3.8854 7.6471 118.7654 58.3038 42.2182 179.3426 135 W 4.3315 7.7105 118.7785 59.9015 28.7781 178.5710 136 M 4.5982 8.2005 118.7991 58.8314 30.9684 178.7825 137 T 4.0543 8.2847 116.0804 66.7667 68.6514 176.2354 138 E 4.0893 8.6015 120.6229 59.8914 29.5188 178.8801 139 Y 4.1233 8.4455 119.2294 60.7723 38.4907 178.1719 140 L 3.9179 8.3838 119.8680 57.9661 41.5519 179.3020 141 N 4.4395 8.1849 115.2811 56.0074 38.6159 177.2550 142 R 4.1037 8.2406 118.7292 58.0975 30.6332 177.6254 143 H 4.5021 7.8530 113.5424 55.3513 30.8741 175.3941 144 L 4.1590 6.9902 118.6172 54.9906 41.9478 177.8973 145 H 4.1370 7.8479 119.0447 59.5255 29.7924 177.0562 146 T 3.8122 7.7044 117.1667 66.0248 68.4852 176.6635 147 W 3.7590 7.8869 129.8484 60.2948 30.8524 177.8660 148 I 3.2995 7.8267 119.8419 64.3700 36.5599 178.1575 149 Q 3.8333 7.9949 120.2839 59.3548 28.7196 178.0350 150 D 4.3551 7.9025 118.1796 56.4243 40.8269 177.3777 151 N 4.4009 7.0944 115.3714 52.9031 38.6412 175.8311 152 G 3.7575 7.5732 109.3034 44.8040 0.0000 174.7090 153 G 3.8203 8.4170 108.9086 44.4946 0.0000 174.4562 154 W 4.0820 8.1367 116.8448 59.6008 28.5305 178.1042 155 D 4.5249 8.2238 118.4694 57.5471 40.1763 178.6079 156 A 3.9737 7.9959 120.8438 54.8806 18.2747 179.4917 157 F 3.0792 7.5568 118.6431 61.0207 38.9236 177.0633 158 V 3.4992 7.8508 117.8924 66.1989 31.0206 177.6310 159 E 3.9071 8.0766 117.5013 59.1035 29.5779 178.1351 160 L 4.0080 7.7393 119.2803 57.8971 42.1620 177.6975 161 Y 4.3143 7.7771 114.9437 57.7168 37.9147 177.8613 162 G 3.6327 7.6188 109.4864 47.2826 0.0000 174.5970 163 P 4.3792 0.0000 0.0000 64.5603 31.3647 176.8497 164 S 4.6665 7.3976 112.6528 58.0732 63.2117 174.0645 165 M 4.2854 8.1829 126.9156 55.8895 32.0257 175.5528 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 9 Y 8.14 4.74 0.00 3.20 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 10 D 8.36 4.64 0.00 2.88 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 11 N 9.29 4.52 0.00 2.98 3.09 0.00 0.00 6.76 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 12 R 8.10 4.07 0.00 1.96 2.17 0.00 3.26 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.63 0.00 13 E 8.40 3.98 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 14 I 7.83 3.78 1.98 0.00 0.00 -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 1.12 0.89 0.32 0.00 0.00 15 V 8.37 4.05 2.42 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 1.22 0.00 0.00 1.19 0.00 0.00 16 M 8.76 4.57 0.00 2.07 2.29 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.96 0.00 17 K 8.30 4.12 0.00 1.78 1.82 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.31 7.81 18 Y 8.13 4.19 0.00 3.26 3.40 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 19 I 8.24 3.69 1.93 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.69 0.07 0.00 0.00 20 H 8.98 4.45 0.00 3.67 3.50 0.00 5.58 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 21 Y 7.99 4.02 0.00 3.16 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 K 7.58 3.73 0.00 1.70 1.65 0.00 1.48 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.32 1.36 7.81 23 L 8.06 4.07 0.00 1.76 1.76 0.45 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.41 4.24 0.00 3.98 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 25 Q 7.39 3.86 0.00 2.28 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.19 0.00 0.00 0.00 0.00 0.00 2.40 2.28 0.00 26 R 7.83 4.26 0.00 1.85 1.91 0.00 3.18 0.00 0.00 3.12 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 27 G 8.19 3.77 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 0.00 0.00 0.00 28 Y 7.74 4.28 0.00 2.85 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 29 E 8.09 4.28 0.00 1.87 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.18 0.00 30 W 8.37 4.57 0.00 3.44 3.26 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 0.00 31 D 8.64 4.10 0.00 2.55 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 A 5.80 2.00 0.73 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 0.00 0.00 *49 S 8.21 4.11 0.00 3.67 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 50 E 8.58 4.10 0.00 2.13 1.92 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 2.38 2.43 0.00 51 V 7.89 3.58 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 1.08 0.00 0.00 0.95 0.00 0.00 52 V 7.51 3.65 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 1.45 0.00 0.00 53 H 7.51 4.15 0.00 3.39 3.28 0.00 5.67 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 54 K 8.08 3.99 0.00 1.81 1.83 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.43 7.81 55 T 8.24 3.95 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 1.07 0.00 0.00 56 L 8.27 4.15 0.00 1.64 1.54 0.43 -0.53 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 57 R 7.93 3.98 0.00 2.01 2.08 0.00 2.23 0.00 0.00 2.70 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.53 0.00 58 E 8.36 3.95 0.00 2.16 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 2.48 2.46 0.00 59 A 8.50 4.30 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 60 G 8.78 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 61 D 8.57 4.49 0.00 2.91 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 62 D 8.67 4.46 0.00 3.05 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 F 8.76 4.34 0.00 3.47 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 64 S 8.69 4.49 0.00 3.91 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.94 3.95 0.00 2.12 2.05 0.00 3.19 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 1.70 1.80 0.00 66 R 7.92 3.85 0.00 1.60 1.93 0.00 2.90 0.00 0.00 2.98 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.50 0.00 67 Y 7.58 4.76 0.00 2.91 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 68 R 8.30 4.28 0.00 2.19 1.97 0.00 3.24 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.61 0.00 69 R 7.97 3.96 0.00 1.94 1.93 0.00 3.37 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.74 0.00 70 D 8.14 4.33 0.00 2.79 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 8.70 4.16 0.00 3.36 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 72 A 8.24 4.11 1.43 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 73 E 8.32 3.99 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 74 M 8.04 4.19 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 75 S 8.23 4.26 0.00 3.98 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 76 S 7.85 4.77 0.00 3.86 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 77 G 7.23 4.98 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 78 L 7.79 4.01 0.00 1.90 1.71 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 79 H 7.86 4.08 0.00 3.29 3.32 0.00 5.76 0.00 0.00 0.00 0.00 8.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 7.65 4.35 0.00 1.61 1.58 0.97 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.45 4.75 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 1.30 0.00 0.00 82 P 0.00 4.31 0.00 1.52 1.97 0.00 3.34 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.97 0.00 83 F 7.63 4.64 0.00 3.13 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 84 T 7.84 4.52 4.32 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 1.31 0.00 0.00 85 A 7.85 4.10 1.64 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 86 R 8.14 2.51 0.00 1.49 1.68 0.00 3.03 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.50 0.00 87 G 7.92 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.34 3.94 0.00 2.02 2.24 0.00 3.25 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 1.84 1.94 0.00 89 F 8.52 4.33 0.00 3.40 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 90 A 8.34 3.90 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 91 T 7.88 3.69 4.17 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 1.19 0.00 0.00 92 V 7.51 3.49 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 -0.03 0.00 0.00 0.68 0.00 0.00 93 V 7.32 3.09 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 -0.13 0.00 0.00 94 E 7.57 3.89 0.00 2.00 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 2.31 2.50 0.00 95 E 8.00 3.97 0.00 1.95 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 2.21 2.44 0.00 96 L 7.50 3.61 0.00 1.18 1.37 0.51 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 97 F 7.31 4.98 0.00 3.19 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 98 R 7.39 3.87 0.00 1.93 1.92 0.00 3.21 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 99 D 7.94 4.63 0.00 2.67 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 0.00 100 G 8.29 3.81 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 0.00 0.00 0.00 101 V 7.49 4.22 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 -0.96 0.00 0.00 0.36 0.00 0.00 102 N 7.65 4.74 0.00 3.13 2.91 0.00 0.00 6.16 8.88 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 0.00 103 W 9.15 4.79 0.00 3.76 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 0.00 104 G 8.60 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 0.00 105 R 8.56 3.96 0.00 2.02 1.62 0.00 3.17 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.83 0.00 106 I 8.04 4.03 2.25 0.00 0.00 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.48 1.30 0.00 0.00 107 V 8.37 3.68 2.33 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 1.14 0.00 0.00 1.11 0.00 0.00 108 A 7.69 3.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 F 8.43 4.06 0.00 3.22 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 0.00 110 F 8.40 3.65 0.00 3.12 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 0.00 0.00 0.00 0.00 111 E 8.42 4.27 0.00 2.34 2.43 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 2.62 2.78 0.00 112 F 8.97 4.49 0.00 3.13 3.16 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 0.00 0.00 0.00 0.00 113 G 8.16 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.50 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 0.00 0.00 0.00 115 V 7.97 3.53 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 1.17 0.00 0.00 1.03 0.00 0.00 116 M 7.81 3.87 0.00 1.93 1.93 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 2.29 0.00 117 C 7.91 3.85 0.00 2.89 2.61 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 0.00 118 V 7.74 3.41 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 1.03 0.00 0.00 0.82 0.00 0.00 119 E 8.44 3.89 0.00 2.00 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 2.40 2.48 0.00 120 S 8.07 4.01 0.00 3.85 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 0.00 121 V 7.52 3.31 1.73 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 0.73 0.00 0.00 -0.03 0.00 0.00 122 N 8.19 4.38 0.00 2.65 2.82 0.00 0.00 7.03 8.25 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 0.00 123 R 7.47 4.37 0.00 1.85 1.91 0.00 3.39 0.00 0.00 3.20 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 124 E 7.96 3.81 0.00 2.13 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 2.21 2.24 0.00 125 M 8.13 4.76 0.00 1.90 2.06 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.36 0.00 126 S 8.03 3.95 0.00 3.48 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 P 0.00 4.31 0.00 2.13 2.15 0.00 3.56 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.20 0.00 128 L 7.98 3.82 0.00 1.56 1.53 0.87 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 0.00 129 V 7.38 3.16 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 -0.19 0.00 0.00 0.50 0.00 0.00 130 D 7.67 4.47 0.00 2.81 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 N 7.63 3.71 0.00 1.99 1.64 0.00 0.00 7.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 I 7.00 2.85 1.61 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.14 0.71 0.00 0.00 133 A 7.80 3.92 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 0.00 134 L 7.65 3.89 0.00 1.72 1.68 1.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 135 W 7.71 4.33 0.00 2.40 2.34 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 0.00 136 M 8.20 4.60 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.30 0.00 137 T 8.28 4.05 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 138 E 8.60 4.09 0.00 2.37 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 2.44 2.63 0.00 139 Y 8.45 4.12 0.00 3.62 3.37 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 0.00 140 L 8.38 3.92 0.00 2.11 1.89 1.27 0.77 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 0.00 141 N 8.18 4.44 0.00 2.84 2.89 0.00 0.00 7.08 6.96 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 0.00 142 R 8.24 4.10 0.00 1.72 1.72 0.00 3.26 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 143 H 7.85 4.50 0.00 1.59 2.58 0.00 5.83 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 L 6.99 4.16 0.00 1.59 1.39 0.32 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 145 H 7.85 4.14 0.00 3.38 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 T 7.70 3.81 4.20 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 1.16 0.00 0.00 147 W 7.89 3.76 0.00 3.17 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 0.00 148 I 7.83 3.30 1.73 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.40 0.55 0.00 0.00 149 Q 7.99 3.83 0.00 1.92 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.81 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 150 D 7.90 4.36 0.00 2.40 2.48 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 0.00 151 N 7.09 4.40 0.00 2.11 2.64 0.00 0.00 7.16 7.48 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 0.00 152 G 7.57 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 0.00 153 G 8.42 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 0.00 154 W 8.14 4.08 0.00 1.78 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 D 8.22 4.52 0.00 2.77 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 0.00 156 A 8.00 3.97 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 F 7.56 3.08 0.00 1.51 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 0.00 158 V 7.85 3.50 2.31 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 0.98 0.00 0.00 1.18 0.00 0.00 159 E 8.08 3.91 0.00 1.99 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 0.00 2.29 2.29 0.00 160 L 7.74 4.01 0.00 1.73 1.52 1.07 0.70 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 0.00 161 Y 7.78 4.31 0.00 2.47 2.66 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 0.00 162 G 7.62 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 0.00 163 P 0.00 4.38 0.00 2.13 2.16 0.00 3.59 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.88 0.00 164 S 7.40 4.67 0.00 4.05 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 0.00 165 M 8.18 4.29 0.00 1.96 2.12 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.61 0.00 * Residues marked with a * may have inaccurate shift predictions.