NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9163 8.3549 109.7352 45.8365 0.0000 173.2414 2 S 4.1902 8.2148 113.0616 58.0750 63.3144 172.3811 *10 Q 4.2164 8.3894 121.7096 55.8658 30.6172 173.8569 11 K 4.7549 8.3445 122.0059 54.7763 36.1074 175.8074 12 S 4.8588 8.3112 116.4387 57.1839 66.6060 174.0436 13 V 4.4835 7.8263 114.1413 60.2099 35.3633 173.7793 14 D 4.5043 8.6510 124.0794 54.1367 41.3232 175.7741 15 I 4.3041 8.3352 124.9005 59.4577 38.6908 174.9904 16 V 4.3745 8.2195 125.2131 60.8819 33.1174 174.3978 17 F 4.7194 8.8642 125.8899 55.6563 41.0130 174.7396 18 S 4.6665 8.2582 118.5871 56.6829 65.8836 173.3538 19 S 4.4233 8.3147 115.4680 56.8319 63.5354 172.1193 20 P 4.2268 0.0000 0.0000 63.3719 31.3883 176.1597 21 Q 4.7359 8.2291 120.7491 53.9672 31.2350 175.7759 22 D 4.5271 8.5581 119.2251 56.3908 41.2037 176.7137 23 L 5.0487 7.6353 117.6431 53.0269 45.4788 176.0841 24 T 4.5799 8.8942 118.9186 61.6908 72.0135 172.9470 25 V 4.6952 8.4530 125.8601 61.0879 34.0421 174.6393 26 S 4.7419 9.1058 123.6919 56.5116 66.4090 172.7567 27 L 4.9749 8.6200 125.7301 53.5124 44.2277 175.4055 28 I 4.5498 8.6570 129.0111 58.7793 39.0785 173.9498 29 P 4.8621 0.0000 0.0000 62.4626 32.4718 176.0169 30 V 3.9795 8.3199 122.2562 62.6502 32.0792 175.9880 31 S 4.5035 8.7291 123.6082 58.8480 64.0932 174.4594 32 G 3.9204 8.7878 110.3282 45.6589 0.0000 173.7502 33 L 4.0403 7.7726 119.4055 54.5709 42.0835 176.4927 34 K 4.4454 8.3792 122.4891 54.3600 33.6183 176.5208 35 A 4.0930 8.3346 126.4925 52.9746 19.3564 176.4078 36 G 3.8004 8.9620 105.1490 43.4110 0.0000 172.6348 37 K 4.4396 8.4891 120.2205 57.0031 32.3907 176.9852 38 N 5.2312 9.0021 123.2094 50.9783 43.1951 173.6803 39 A 4.3719 8.3461 121.6720 50.9530 19.9785 175.6031 40 P 4.3398 0.0000 0.0000 64.0866 31.8849 176.5412 41 S 3.7706 8.4599 116.2113 59.1906 61.1620 172.2818 42 A 4.1008 7.5919 121.8799 52.2087 19.0576 178.2214 43 K 4.5810 8.6542 122.2612 56.4908 32.5500 176.9938 44 I 4.5865 8.6633 115.7320 60.6164 40.0255 174.6287 45 A 5.0061 7.4689 122.3336 51.0578 22.5254 174.9024 46 K 4.9187 8.8940 118.8983 54.9424 35.9684 174.7865 47 L 4.9156 9.1447 126.4789 53.4281 44.0915 174.8920 48 V 4.7609 9.1417 127.2987 61.1106 34.0803 174.1636 49 V 4.5618 8.1899 128.1360 61.2089 33.3781 174.0926 50 N 5.5469 8.8259 125.1962 51.9261 42.1922 173.5276 51 S 4.9049 8.9233 114.2732 57.8945 65.5696 174.5574 52 T 4.5088 8.7760 115.1103 61.7131 69.6175 174.9236 53 T 4.5033 7.8024 110.3503 61.2963 70.9108 173.8750 54 L 4.8000 8.2248 121.3073 52.7994 44.0739 176.4520 55 K 4.3549 8.5520 121.0909 58.6629 33.4204 176.4694 56 E 5.4355 8.0365 116.4627 54.8828 33.9864 174.5528 57 F 5.1176 8.7425 115.1816 55.9330 42.0560 173.2445 58 G 5.1391 9.5771 106.8098 43.8803 0.0000 172.5483 59 V 5.6803 8.7132 119.1810 60.6336 34.3904 173.8784 60 R 4.6447 9.0240 121.5829 54.3677 34.7700 174.4286 61 G 2.7414 8.3568 109.2254 45.2293 0.0000 173.1664 62 I 4.2486 7.4170 124.3945 59.4099 38.4494 175.3047 63 S 4.4672 7.9721 119.4765 57.3220 64.8234 174.2293 64 N 4.5755 8.6904 121.5353 54.0774 38.3541 174.6906 65 N 4.9937 8.2525 117.4724 52.0817 38.8611 173.4340 66 V 4.1849 7.5879 119.1794 62.9972 32.7606 175.7471 67 V 4.4119 8.7963 118.9749 60.9845 32.3260 174.6149 68 D 4.9199 7.5887 119.0948 51.1998 42.5780 176.2551 69 S 4.1583 8.7040 113.8392 60.9814 62.4195 174.5999 70 T 4.3906 8.0165 107.8155 60.6888 69.1435 174.5814 71 G 3.7746 7.8283 109.4074 47.2919 0.0000 174.8730 72 T 4.8315 8.4962 108.0304 61.1924 70.2999 173.6018 73 A 5.2437 8.0839 122.0351 50.9239 23.1996 175.5742 74 W 5.4175 8.7189 118.0252 56.0836 32.1842 173.1373 75 R 5.0418 8.9857 118.4983 54.3693 32.8671 175.8560 76 V 4.6490 8.6956 121.6441 61.1175 34.6414 174.2096 77 A 5.0837 8.8265 129.3954 50.7197 20.2884 177.1823 78 G 2.9870 9.4313 110.2458 45.8508 0.0000 174.8220 79 K 3.9902 8.5921 126.1739 59.0646 32.4586 177.7088 80 N 4.5986 8.6025 115.4370 54.4514 38.9930 175.8720 81 T 4.3487 8.4881 106.2066 60.4250 70.4068 175.4435 82 G 3.9705 8.2368 109.7518 45.1913 0.0000 173.9816 83 K 4.2784 7.8432 119.9964 56.5940 33.1557 176.0997 84 E 5.4489 8.7841 122.7912 54.9879 31.8810 175.2064 85 I 4.6337 8.5692 114.7522 59.0955 41.7303 174.0965 86 G 4.2363 9.0986 111.1057 44.7851 0.0000 173.1332 87 V 5.2050 8.2864 117.3133 57.6084 36.4926 174.8387 88 G 3.9649 7.3191 108.2828 45.9935 0.0000 171.6770 89 L 4.8937 8.3191 120.5117 54.2142 42.3787 178.2226 90 S 4.3677 8.7830 117.0752 58.0202 64.1600 175.6331 91 S 4.1548 8.6190 117.3446 61.7369 62.2655 176.4160 92 D 4.3625 8.0255 119.4404 57.5167 41.2741 178.0838 93 S 4.3580 8.2219 115.6154 61.6660 62.9067 176.6072 94 L 4.2711 8.2077 121.6390 57.9453 41.1354 179.5961 95 R 4.1428 7.8530 116.3845 58.2838 30.0415 178.1384 96 R 4.3382 7.9772 116.5873 55.5923 30.3900 175.7431 97 S 4.3619 7.5607 114.5787 56.0040 63.0063 173.3749 98 D 4.6823 8.1696 126.2751 53.3312 40.3530 175.9044 99 S 4.6194 7.1261 113.0385 57.9115 66.0614 173.6260 100 T 5.0618 8.4780 117.6960 61.9353 71.1113 173.1860 101 E 4.7799 9.4810 125.7362 54.4604 32.6214 174.6654 102 K 5.1238 8.6805 124.3924 54.5703 34.2693 175.2283 103 W 4.9884 9.5490 135.0000 56.4224 32.6784 174.7720 104 N 4.0612 10.1627 125.5875 54.5462 35.4528 175.4771 105 G 3.9642 8.5292 102.8880 45.3995 0.0000 173.2934 106 V 4.4969 7.6896 119.9648 60.8483 34.4114 174.2359 107 N 5.2679 8.8459 125.2227 52.7691 39.7465 174.4249 108 W 4.8374 9.6757 123.5286 55.0418 32.6083 174.7443 109 M 4.6734 8.9161 124.8398 55.5007 33.1994 175.4507 110 T 4.8264 8.7033 120.0328 62.4740 70.9085 173.9305 111 F 4.9023 8.4795 122.8740 55.5353 43.8685 173.7224 112 N 5.2396 8.7376 117.9897 52.8486 39.3086 175.5127 113 S 4.6194 8.9893 117.9054 58.3612 64.1915 173.1740 114 N 4.2171 8.9040 115.4721 54.0104 35.5991 173.0004 115 D 4.8985 7.4586 116.7664 53.2892 46.1318 174.2763 116 T 4.9697 8.5082 118.2305 61.7243 70.9332 173.6248 117 L 4.7557 9.0757 126.6758 53.0193 44.6713 175.1991 118 D 5.1384 9.0737 123.8554 53.3505 42.8413 175.3809 119 I 4.8153 8.7608 124.3177 59.9786 39.5753 175.3089 120 V 4.9188 8.6066 118.9595 59.3324 37.1206 174.4448 121 L 4.4241 8.6054 122.2561 54.4148 42.0225 177.6477 122 T 4.1180 8.3947 115.2384 61.4874 69.5687 176.4789 123 G 3.6305 8.6293 109.9846 45.7548 0.0000 171.5180 124 P 4.4682 0.0000 0.0000 62.2876 32.2857 176.3710 125 A 4.0326 8.5716 123.1416 53.1094 18.8444 176.9593 126 Q 4.5708 8.1899 117.3608 54.0838 32.2982 174.6326 127 N 5.0299 8.5824 121.4391 52.3867 40.3694 173.3937 128 V 4.1570 8.5206 128.0750 61.7525 33.2090 175.2046 129 T 4.5006 8.6341 124.7109 62.8148 69.3738 174.4780 130 A 3.9757 8.7720 128.9137 53.0049 18.7173 176.1284 131 D 4.2999 7.9195 121.2390 54.6726 44.7283 174.6259 132 T 4.5645 7.5275 115.7747 61.8870 71.0394 173.4319 133 Y 4.9119 8.6387 123.9835 55.2624 39.9709 173.6399 134 P 4.5559 0.0000 0.0000 62.3163 32.3781 176.0936 135 I 4.9535 8.1680 113.4248 59.4682 40.8257 174.4733 136 T 4.7404 8.3771 117.7090 61.8390 72.2203 172.5868 137 L 5.0062 8.6659 125.2226 52.8331 44.9132 175.1697 138 D 4.9782 9.1393 123.1942 52.5230 43.6248 174.5743 139 V 5.1548 8.6126 125.8174 61.1696 33.9182 174.6318 140 V 4.3484 9.2430 127.9609 60.9490 33.8875 174.8824 141 G 4.0213 8.7936 117.7129 46.5393 0.0000 173.6741 *142 Y 4.4648 8.2714 119.4847 56.7845 37.6423 175.2339 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 1 G 8.35 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 0.00 0.00 0.00 2 S 8.21 4.19 0.00 3.97 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 *10 Q 8.39 4.22 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.95 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.35 0.00 11 K 8.34 4.75 0.00 1.72 1.64 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.38 7.81 12 S 8.31 4.86 0.00 3.80 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 13 V 7.83 4.48 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 0.65 0.00 0.00 0.94 0.00 0.00 14 D 8.65 4.50 0.00 2.67 2.62 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 0.00 0.00 0.00 0.00 15 I 8.34 4.30 1.98 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 1.34 0.89 0.97 0.00 0.00 16 V 8.22 4.37 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 0.84 0.00 0.00 0.93 0.00 0.00 17 F 8.86 4.72 0.00 3.01 2.96 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 18 S 8.26 4.67 0.00 3.94 3.83 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 19 S 8.31 4.42 0.00 4.01 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 20 P 0.00 4.23 0.00 2.06 2.06 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 21 Q 8.23 4.74 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 7.10 0.00 0.00 0.00 0.00 0.00 2.41 2.27 0.00 22 D 8.56 4.53 0.00 2.65 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 23 L 7.64 5.05 0.00 1.42 1.43 0.93 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.89 4.58 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 1.16 0.00 0.00 25 V 8.45 4.70 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 0.74 0.00 0.00 0.80 0.00 0.00 26 S 9.11 4.74 0.00 3.71 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 27 L 8.62 4.97 0.00 1.59 1.54 1.01 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 28 I 8.66 4.55 1.87 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 1.27 0.93 0.91 0.00 0.00 29 P 0.00 4.86 0.00 2.09 2.07 0.00 3.76 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 30 V 8.32 3.98 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 0.75 0.00 0.00 0.94 0.00 0.00 31 S 8.73 4.50 0.00 3.90 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 32 G 8.79 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 0.00 0.00 0.00 33 L 7.77 4.04 0.00 1.66 1.62 0.91 0.94 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 34 K 8.38 4.45 0.00 1.73 1.73 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.52 1.36 7.81 35 A 8.33 4.09 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 36 G 8.96 3.80 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 0.00 0.00 0.00 37 K 8.49 4.44 0.00 1.77 1.72 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 38 N 9.00 5.23 0.00 2.72 2.60 0.00 0.00 6.62 7.05 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 39 A 8.35 4.37 1.22 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 0.00 0.00 40 P 0.00 4.34 0.00 2.03 2.09 0.00 3.81 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 2.01 2.16 0.00 41 S 8.46 3.77 0.00 3.99 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 42 A 7.59 4.10 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 K 8.65 4.58 0.00 1.63 1.73 0.00 1.68 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.42 7.81 44 I 8.66 4.59 1.82 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.01 0.86 0.00 0.00 45 A 7.47 5.01 1.22 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 0.00 0.00 46 K 8.89 4.92 0.00 1.77 1.88 0.00 1.28 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.33 7.81 47 L 9.14 4.92 0.00 1.73 1.68 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 48 V 9.14 4.76 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 0.97 0.00 0.00 0.92 0.00 0.00 49 V 8.19 4.56 1.36 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 0.30 0.00 0.00 0.24 0.00 0.00 50 N 8.83 5.55 0.00 2.67 2.64 0.00 0.00 5.98 8.11 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 51 S 8.92 4.90 0.00 3.87 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 52 T 8.78 4.51 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 53 T 7.80 4.50 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 54 L 8.22 4.80 0.00 1.61 1.63 0.93 0.89 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 55 K 8.55 4.35 0.00 1.72 1.85 0.00 1.61 0.00 0.00 1.82 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.47 7.81 56 E 8.04 5.44 0.00 1.76 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.28 0.00 57 F 8.74 5.12 0.00 3.30 3.15 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 0.00 0.00 0.00 58 G 9.58 5.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.71 5.68 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 0.89 0.00 0.00 1.10 0.00 0.00 60 R 9.02 4.64 0.00 1.02 1.27 0.00 2.21 0.00 0.00 2.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.50 0.00 61 G 8.36 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 0.00 0.00 0.00 62 I 7.42 4.25 1.71 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 0.96 0.87 0.81 0.00 0.00 63 S 7.97 4.47 0.00 3.41 3.45 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 64 N 8.69 4.58 0.00 2.88 2.92 0.00 0.00 5.76 8.04 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 65 N 8.25 4.99 0.00 2.77 2.92 0.00 0.00 6.73 7.23 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 66 V 7.59 4.18 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 0.89 0.00 0.00 0.87 0.00 0.00 67 V 8.80 4.41 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 0.86 0.00 0.00 0.99 0.00 0.00 68 D 7.59 4.92 0.00 2.81 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 69 S 8.70 4.16 0.00 3.86 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 70 T 8.02 4.39 4.27 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 0.00 0.00 1.23 0.00 0.00 71 G 7.83 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 72 T 8.50 4.83 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 1.37 0.00 0.00 73 A 8.08 5.24 1.33 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 0.00 0.00 0.00 74 W 8.72 5.42 0.00 3.49 3.18 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 75 R 8.99 5.04 0.00 1.87 1.86 0.00 3.10 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.54 0.00 76 V 8.70 4.65 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 1.24 0.00 0.00 1.17 0.00 0.00 77 A 8.83 5.08 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 78 G 9.43 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 0.00 0.00 0.00 79 K 8.59 3.99 0.00 1.61 1.74 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.41 7.81 80 N 8.60 4.60 0.00 2.75 2.80 0.00 0.00 6.87 8.19 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 81 T 8.49 4.35 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 82 G 8.24 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 83 K 7.84 4.28 0.00 1.84 1.84 0.00 1.70 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.49 1.61 7.81 84 E 8.78 5.45 0.00 1.87 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 0.00 2.30 2.33 0.00 85 I 8.57 4.63 1.55 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.45 0.32 0.00 0.00 86 G 9.10 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 0.00 0.00 0.00 0.00 87 V 8.29 5.20 1.52 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 0.31 0.00 0.00 -0.45 0.00 0.00 88 G 7.32 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 89 L 8.32 4.89 0.00 1.62 1.67 1.09 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 90 S 8.78 4.37 0.00 4.00 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 91 S 8.62 4.15 0.00 3.89 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 92 D 8.03 4.36 0.00 2.66 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 93 S 8.22 4.36 0.00 4.10 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 94 L 8.21 4.27 0.00 1.94 1.80 0.97 0.91 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 95 R 7.85 4.14 0.00 2.03 2.01 0.00 3.17 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 1.68 1.81 0.00 96 R 7.98 4.34 0.00 2.22 2.13 0.00 3.33 0.00 0.00 3.30 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.91 0.00 97 S 7.56 4.36 0.00 2.72 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 98 D 8.17 4.68 0.00 2.75 2.67 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 99 S 7.13 4.62 0.00 3.82 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 0.00 100 T 8.48 5.06 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 101 E 9.48 4.78 0.00 1.88 1.83 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 2.22 2.32 0.00 102 K 8.68 5.12 0.00 1.84 1.78 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.53 7.81 103 W 9.55 4.99 0.00 3.13 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 0.00 104 N 10.16 4.06 0.00 2.53 2.71 0.00 0.00 7.23 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 0.00 105 G 8.53 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 0.00 106 V 7.69 4.50 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 0.86 0.00 0.00 0.98 0.00 0.00 107 N 8.85 5.27 0.00 2.85 2.78 0.00 0.00 6.84 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 0.00 108 W 9.68 4.84 0.00 3.26 3.25 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 0.00 109 M 8.92 4.67 0.00 1.78 2.18 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 110 T 8.70 4.83 4.15 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 0.00 0.00 1.13 0.00 0.00 111 F 8.48 4.90 0.00 1.68 2.62 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 0.00 0.00 0.00 0.00 112 N 8.74 5.24 0.00 2.69 2.81 0.00 0.00 6.97 7.57 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 0.00 113 S 8.99 4.62 0.00 3.96 4.08 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 0.00 114 N 8.90 4.22 0.00 2.92 2.97 0.00 0.00 6.67 7.67 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 0.00 115 D 7.46 4.90 0.00 2.80 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 0.00 116 T 8.51 4.97 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 117 L 9.08 4.76 0.00 1.44 1.43 0.28 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 118 D 9.07 5.14 0.00 2.56 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 0.00 119 I 8.76 4.82 1.93 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 1.32 0.70 0.76 0.00 0.00 120 V 8.61 4.92 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 0.72 0.00 0.00 0.85 0.00 0.00 121 L 8.61 4.42 0.00 1.50 1.50 0.82 0.81 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 0.00 122 T 8.39 4.12 4.16 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 1.09 0.00 0.00 123 G 8.63 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 0.00 124 P 0.00 4.47 0.00 1.92 1.99 0.00 3.67 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 2.01 2.09 0.00 125 A 8.57 4.03 1.26 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 0.00 0.00 126 Q 8.19 4.57 0.00 1.98 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.22 2.38 0.00 127 N 8.58 5.03 0.00 2.75 2.70 0.00 0.00 6.68 7.71 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 0.00 128 V 8.52 4.16 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 0.79 0.00 0.00 0.81 0.00 0.00 129 T 8.63 4.50 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 1.25 0.00 0.00 130 A 8.77 3.98 1.27 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 0.00 0.00 0.00 0.00 0.00 131 D 7.92 4.30 0.00 2.54 1.85 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 0.00 132 T 7.53 4.56 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 133 Y 8.64 4.91 0.00 2.78 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 0.00 134 P 0.00 4.56 0.00 2.23 2.08 0.00 3.76 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 2.06 1.98 0.00 135 I 8.17 4.95 2.30 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 1.53 0.87 1.09 0.00 0.00 136 T 8.38 4.74 4.16 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 1.18 0.00 0.00 137 L 8.67 5.01 0.00 1.51 1.57 1.03 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 138 D 9.14 4.98 0.00 2.72 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.61 5.15 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 0.67 0.00 0.00 0.87 0.00 0.00 140 V 9.24 4.35 1.68 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 0.39 0.00 0.00 0.71 0.00 0.00 141 G 8.79 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 0.00 0.00 0.00 *142 Y 8.27 4.46 0.00 2.09 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.