NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7595 8.3393 109.7345 45.4022 0.0000 174.7209 *2 S 4.2906 8.6029 111.5599 57.7470 64.8392 175.0778 3 R 3.5326 8.2391 120.0927 56.7296 30.1110 177.5565 4 G 3.7174 5.3800 104.0872 44.7703 0.0000 170.2779 5 H 5.7074 8.3736 118.2883 53.6370 33.3352 172.8757 6 C 5.4592 9.0167 121.4950 58.0522 32.0666 172.8167 7 I 4.8814 8.7825 123.6014 59.5576 39.4918 174.4359 8 L 5.0584 9.0637 127.3678 52.9722 44.1810 175.2031 9 A 5.0735 8.9471 127.4170 50.1773 20.9070 175.9875 10 H 4.6531 9.1019 118.6832 55.5841 30.0909 175.6118 11 G 4.0368 8.2039 105.9270 45.1135 0.0000 172.3996 12 F 4.6263 8.7994 122.2626 59.4824 39.3784 175.7106 13 E 3.6672 9.1853 126.7380 56.8411 28.3734 175.7505 14 S 4.0387 7.7232 113.3175 58.8994 63.7195 175.6653 15 G 3.7884 7.5790 106.6949 44.1029 0.0000 172.2268 16 P 4.4104 0.0000 0.0000 64.7575 31.4710 176.8338 17 D 4.7015 7.8618 117.3606 54.0333 41.2293 176.8554 18 A 4.1321 7.7071 122.4412 51.5837 20.3035 178.4647 19 L 3.8639 8.5619 124.1080 58.6875 42.0757 180.0732 20 K 4.0301 7.9361 117.3863 59.4676 32.2384 179.7386 21 V 3.7016 7.7211 112.1114 64.3389 31.4419 178.5635 22 T 3.8725 8.1344 115.7312 66.5055 68.2348 176.4218 23 A 3.9889 7.9735 122.5859 55.1952 18.4187 179.7333 24 L 3.9696 8.0346 117.2946 57.7461 41.5050 179.6252 25 A 3.8875 8.0574 120.9479 54.7944 18.1800 179.1463 26 E 3.8231 8.4583 118.2898 59.4631 29.6371 179.2550 27 V 3.5176 7.8014 117.8437 65.9002 31.5317 177.5519 28 A 3.9053 8.0783 120.4481 55.2616 18.1520 179.0858 29 E 3.9602 8.3043 117.6930 59.6244 29.5210 178.9658 30 R 3.9399 8.0325 117.4108 59.2265 30.2608 177.5993 31 L 4.4921 8.0827 115.8109 54.7081 42.1666 177.3932 32 G 3.9214 8.1586 107.8189 45.2885 0.0000 172.8095 33 W 5.1727 8.2930 118.8180 54.9369 30.9880 176.4712 34 T 4.6226 8.8716 113.6819 62.0328 70.1461 173.0771 35 H 5.8661 8.5217 116.4234 55.0738 31.5278 172.2705 36 E 4.7804 8.6350 116.3055 55.2541 33.3555 174.2954 37 R 5.1130 8.3509 119.3938 52.5276 31.8195 173.3717 38 P 4.2775 0.0000 0.0000 62.1631 32.5179 175.1880 39 D 4.7268 8.1226 121.4209 52.9583 42.3910 176.0557 40 F 4.9708 8.8076 123.4743 57.3238 40.2596 177.2243 41 T 3.9730 8.7861 115.2642 64.7519 68.6441 176.1796 42 D 4.3741 8.1220 121.7240 56.4003 39.4055 178.4950 43 L 4.1163 7.9489 119.9591 57.6177 41.5944 178.9632 44 D 4.6333 8.3126 117.7230 57.1627 40.8242 178.1974 45 A 4.2168 7.8444 119.7027 53.3950 19.9021 178.3883 46 R 4.3550 7.4325 120.9978 55.7931 28.6534 178.3984 47 R 4.2389 7.8151 119.0911 58.7572 30.3613 180.2260 48 D 4.4709 8.1600 115.3829 56.4585 39.3663 177.3082 49 L 4.2907 8.0686 117.9603 54.3030 42.4065 176.8414 50 G 4.2057 7.2423 113.9929 45.7448 0.0000 174.5184 51 Q 4.0173 8.4596 119.0983 57.1894 28.2468 178.4308 52 L 3.4577 7.5977 115.0566 53.9990 42.3232 178.4638 53 G 3.9124 7.6665 108.2503 46.2147 0.0000 175.3445 54 D 4.6239 8.3410 114.2208 53.1520 38.7108 177.8126 55 V 3.6479 7.6792 123.3385 65.2994 32.0536 176.8050 56 R 3.9967 8.0994 118.3355 59.4645 29.8429 178.5789 57 G 3.7438 8.3505 106.8201 47.1048 0.0000 175.6472 58 R 3.9735 8.0495 121.0007 59.1856 30.0321 178.4150 59 L 3.9366 8.1260 119.0444 58.0982 41.7167 179.4697 60 Q 3.9641 8.1572 119.2498 59.0503 28.9710 178.1764 61 R 3.9519 8.4249 120.1403 59.4438 30.1543 178.3113 62 L 4.1500 8.3509 120.2805 57.9024 41.9766 178.5013 63 L 3.9681 8.2460 120.6411 58.3763 42.0880 178.9239 64 E 3.9923 8.3097 118.3210 59.4736 29.3860 179.4511 65 I 3.7291 7.8677 119.6496 64.3788 37.1970 178.4249 66 A 4.0952 8.5169 122.0750 55.0648 17.9685 179.7892 67 R 3.8922 8.1884 116.0102 59.3941 30.4219 178.8125 68 A 4.2843 8.0296 120.0814 55.2154 18.4263 179.5836 69 A 4.0138 8.1218 119.6090 55.2857 18.5038 179.2666 70 T 4.9297 7.9258 107.4330 62.6702 68.6602 176.0672 71 E 4.2392 8.1400 123.8051 58.9297 29.4873 178.0084 72 K 4.3437 7.7578 119.0848 53.8950 32.6056 180.8107 73 G 3.9067 7.9647 105.8716 44.1978 0.0000 171.4865 74 P 4.8443 0.0000 0.0000 63.1845 31.7607 176.6862 75 V 4.6901 8.3203 123.3641 60.0996 34.4667 174.8002 76 V 4.5914 8.7584 122.8919 62.1558 33.2180 174.4699 77 L 5.2696 8.7899 127.3118 53.0273 44.1305 175.3856 78 A 5.2483 9.1023 124.8790 50.5001 22.9088 174.7972 79 G 4.3541 8.7657 106.3141 45.2737 0.0000 171.9251 80 S 4.6631 8.4358 113.9595 56.1358 65.6471 173.1929 81 S 4.0732 8.8890 120.3055 58.0748 62.5387 173.8956 82 L 4.0437 8.9169 118.2767 58.1012 41.2386 178.1475 83 G 3.5620 8.1983 105.5298 47.8200 0.0000 175.8520 84 S 4.0324 7.9169 117.3879 61.4130 62.7921 176.0955 85 Y 3.9299 7.8436 121.9759 60.6516 38.5627 178.0819 86 I 3.5651 7.7236 113.4482 63.6072 37.6831 178.0180 87 A 3.8868 8.0764 122.4523 54.8039 17.8346 179.3383 88 A 3.8545 7.8754 119.1891 55.5423 18.4459 179.8841 89 Q 3.8041 7.6134 116.4352 59.1298 28.6823 179.3829 90 V 3.6677 8.0146 119.4812 65.5981 31.2819 178.0879 91 S 4.4218 7.6306 114.8380 60.6875 62.7106 176.1609 92 L 4.1787 7.6983 120.9293 56.4626 41.4786 177.4484 93 Q 4.5860 8.1283 116.0867 55.6449 30.0313 175.6721 94 V 4.5350 7.2935 109.7216 58.5130 35.8125 173.0306 95 P 4.4131 0.0000 0.0000 63.3308 32.2288 175.3602 96 T 4.7559 8.4702 121.3830 61.8335 70.8314 175.2676 97 R 4.1148 9.2418 127.7058 59.3025 30.9650 175.9877 98 A 4.7016 7.4859 117.1554 51.3197 22.8645 175.0927 99 L 5.3592 8.7864 118.9331 52.9466 45.6933 175.5784 100 F 5.3207 9.2839 126.1942 56.6720 41.9619 174.0211 101 L 5.1024 7.8009 126.7033 51.2602 45.7815 175.9907 *103 V 4.3997 7.7453 108.7614 61.3323 31.6422 173.8936 104 P 4.5580 0.0000 0.0000 61.2878 32.5574 175.5256 105 P 4.2357 0.0000 0.0000 62.9634 31.8840 176.3693 106 T 4.0735 8.3216 111.7402 62.2312 69.8595 173.9114 107 K 5.0451 7.3986 119.7643 54.6415 36.9856 175.9524 *109 G 3.9890 8.1773 109.6459 45.5613 0.0000 173.6118 110 P 4.4015 0.0000 0.0000 63.4571 31.6701 176.1864 111 L 4.4210 7.4275 118.9148 53.0735 42.7052 174.6411 112 P 4.3560 0.0000 0.0000 62.4455 31.8269 176.5477 113 A 4.2695 8.5036 123.3041 51.9688 19.1300 177.0462 114 L 3.9340 8.3416 121.9029 56.2748 42.4304 175.9535 115 D 5.2385 8.4873 123.2159 53.9759 44.5029 173.4625 116 A 4.8183 8.5909 121.8599 51.4968 21.8807 176.0156 117 A 4.1929 8.4461 123.1663 52.1479 19.1756 178.8953 118 A 4.3631 8.1053 123.7138 50.9410 17.0067 176.8162 119 V 4.5811 7.2311 113.9648 57.6434 36.3766 173.9379 120 P 4.4143 0.0000 0.0000 63.3206 32.1807 175.6872 121 I 5.1025 8.4978 124.5393 59.5055 41.0234 174.3106 122 S 5.1085 9.1556 120.5981 56.6182 65.5555 172.4975 123 I 4.7747 8.9369 127.8315 59.3316 40.4343 174.5678 124 V 4.6872 8.1755 126.3277 61.4361 33.2958 174.0854 125 H 4.9606 9.3506 127.0698 54.2188 34.0001 171.4155 126 A 4.9956 7.4753 122.8090 49.7316 20.6656 177.7331 127 W 4.3083 9.1556 123.3529 59.0958 29.8460 176.9212 128 H 5.0406 8.0586 115.6318 55.3671 29.0231 175.0120 129 D 4.4302 7.8331 119.4609 54.2934 40.7583 175.9503 130 E 4.1832 8.7751 127.2140 58.6248 29.9213 178.1894 131 L 4.2187 8.0094 117.4468 55.9445 42.3090 176.4299 132 I 4.4234 7.9728 118.0714 58.1266 38.6798 172.7271 133 P 4.2931 0.0000 0.0000 62.6384 32.0569 177.6502 134 A 4.0504 8.9665 123.6066 55.4183 18.2577 179.7433 135 A 4.0438 8.2012 118.6701 55.5927 18.3244 179.4721 136 D 4.3249 8.0876 117.2814 57.5811 40.8493 179.2147 137 V 3.5909 7.6101 118.2607 65.8722 31.5017 177.8411 138 I 3.6868 8.1847 119.8787 64.3948 37.0633 178.2657 139 A 3.9958 8.1531 121.5037 54.7967 17.8049 179.4729 140 W 3.9682 8.2963 126.7149 60.6261 30.7482 178.1031 141 A 3.9239 8.6685 121.1905 55.1017 17.7896 179.2462 142 Q 3.8273 8.4463 118.2319 59.4249 28.9045 178.5161 143 A 3.9928 7.6260 120.1777 53.9957 18.2796 178.2236 144 R 4.2985 6.7123 111.0544 55.2309 29.6962 175.7583 145 S 3.6481 8.0405 111.9394 59.7298 60.9768 172.4767 146 A 4.2166 7.8286 120.9094 51.6434 19.1183 178.5963 147 R 4.0259 8.5003 121.9269 56.4315 31.3324 175.1965 148 L 5.1199 8.4497 127.4462 53.1975 45.2223 174.7520 149 L 4.6326 8.9525 128.7392 53.2789 44.2915 174.6391 150 L 4.7850 8.3161 126.1230 52.9612 43.3966 176.2217 151 V 4.3802 7.9969 116.6363 59.3703 35.5473 174.9606 152 D 5.1418 8.6793 123.0828 53.4226 39.9851 174.1470 153 D 4.4901 8.1734 123.0718 53.9047 45.5289 172.8850 154 G 4.5970 8.0696 108.6154 44.0517 0.0000 173.1188 155 H 4.1742 8.8720 117.7414 59.3110 29.8269 177.3117 156 R 4.0926 7.9767 115.4890 56.2277 30.5172 176.0144 157 L 3.8652 8.1862 117.7160 55.2590 39.8792 177.0504 158 G 3.6107 8.4786 108.6270 48.1162 0.0000 174.9315 159 A 4.5888 8.2641 120.0001 52.3007 19.5300 176.4319 160 H 4.9275 8.1596 113.7702 55.0437 30.4267 176.2220 161 V 3.6942 8.1910 124.1415 66.7165 31.2636 177.9576 162 Q 3.9903 8.0401 119.8681 60.0584 28.1228 180.3580 163 A 4.1981 8.0456 122.4233 54.9582 18.4956 179.4168 164 A 4.1230 8.2422 119.2551 55.4732 18.4410 179.8281 165 S 4.0988 8.3582 113.8980 62.0347 62.8677 177.3280 166 R 3.8759 8.3001 120.4320 59.1656 29.7903 178.9736 167 A 4.0208 8.1509 120.5981 55.0712 18.3229 179.4771 168 F 3.3666 8.0294 118.8720 61.0164 39.2441 177.0014 169 A 3.5798 7.8715 120.4894 55.2053 17.9003 179.2053 170 E 3.7950 8.0350 116.5626 59.1279 29.9630 178.5099 171 L 4.0584 7.7529 120.3081 58.2388 42.2897 178.8938 172 L 3.5418 7.4678 118.9496 57.8522 41.2270 179.6019 173 Q 4.2172 8.1405 116.8940 58.0364 28.7139 177.8646 174 S 4.4726 7.6944 113.5972 58.9936 63.6408 174.1297 175 L 4.3010 7.7874 127.6888 55.1244 41.5637 176.2628 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 0 G 8.34 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 *2 S 8.60 4.29 0.00 4.03 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 3 R 8.24 3.53 0.00 0.67 0.66 0.00 3.16 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.62 0.00 4 G 5.38 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 5 H 8.37 5.71 0.00 3.30 3.24 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 C 9.02 5.46 0.00 2.96 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 7 I 8.78 4.88 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.76 0.99 0.00 0.00 8 L 9.06 5.06 0.00 1.57 1.53 0.94 0.60 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 9 A 8.95 5.07 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 10 H 9.10 4.65 0.00 3.18 3.42 0.00 5.72 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 G 8.20 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 12 F 8.80 4.63 0.00 2.85 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 13 E 9.19 3.67 0.00 1.74 1.78 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 1.47 1.47 0.00 14 S 7.72 4.04 0.00 3.91 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 15 G 7.58 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 P 0.00 4.41 0.00 2.18 2.34 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 17 D 7.86 4.70 0.00 2.66 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 A 7.71 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.56 3.86 0.00 1.76 1.70 0.92 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 20 K 7.94 4.03 0.00 1.84 1.83 0.00 1.71 0.00 0.00 1.93 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.53 1.52 7.81 21 V 7.72 3.70 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 0.94 0.00 0.00 1.07 0.00 0.00 22 T 8.13 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 23 A 7.97 3.99 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 24 L 8.03 3.97 0.00 1.67 1.23 0.55 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 25 A 8.06 3.89 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 26 E 8.46 3.82 0.00 1.99 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 2.31 2.47 0.00 27 V 7.80 3.52 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 1.05 0.00 0.00 28 A 8.08 3.91 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 29 E 8.30 3.96 0.00 2.22 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 0.00 2.36 2.42 0.00 30 R 8.03 3.94 0.00 1.84 2.11 0.00 3.31 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 31 L 8.08 4.49 0.00 1.86 1.91 0.79 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 32 G 8.16 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 W 8.29 5.17 0.00 3.23 3.27 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 34 T 8.87 4.62 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 35 H 8.52 5.87 0.00 3.16 3.36 0.00 5.30 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.64 4.78 0.00 2.04 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 0.00 2.33 2.39 0.00 37 R 8.35 5.11 0.00 1.68 1.91 0.00 3.55 0.00 0.00 2.25 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 38 P 0.00 4.28 0.00 0.97 1.62 0.00 3.88 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 2.06 2.04 0.00 39 D 8.12 4.73 0.00 2.54 2.45 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 40 F 8.81 4.97 0.00 3.05 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 41 T 8.79 3.97 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 1.22 0.00 0.00 42 D 8.12 4.37 0.00 2.91 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 7.95 4.12 0.00 2.00 1.84 1.11 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 44 D 8.31 4.63 0.00 2.79 2.65 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 0.00 0.00 0.00 0.00 45 A 7.84 4.22 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 46 R 7.43 4.35 0.00 2.04 2.03 0.00 3.32 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.75 0.00 47 R 7.82 4.24 0.00 1.73 1.94 0.00 3.25 0.00 0.00 3.39 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 48 D 8.16 4.47 0.00 2.78 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 49 L 8.07 4.29 0.00 1.81 1.76 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.24 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 0.00 0.00 0.00 51 Q 8.46 4.02 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.39 0.00 0.00 0.00 0.00 0.00 2.28 1.96 0.00 52 L 7.60 3.46 0.00 1.32 1.26 0.61 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 53 G 7.67 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 54 D 8.34 4.62 0.00 2.81 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 55 V 7.68 3.65 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 1.03 0.00 0.00 0.89 0.00 0.00 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0.00 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 2.22 0.00 65 I 7.87 3.73 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 0.97 0.00 0.00 66 A 8.52 4.10 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 67 R 8.19 3.89 0.00 1.96 2.03 0.00 3.19 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 68 A 8.03 4.28 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 69 A 8.12 4.01 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 T 7.93 4.93 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 1.37 0.00 0.00 71 E 8.14 4.24 0.00 2.05 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 2.35 2.58 0.00 72 K 7.76 4.34 0.00 1.76 1.66 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 1.04 0.00 0.00 125 H 9.35 4.96 0.00 3.06 2.91 0.00 5.80 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 0.00 126 A 7.48 5.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 W 9.16 4.31 0.00 2.89 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 0.00 128 H 8.06 5.04 0.00 3.25 3.32 0.00 5.66 0.00 0.00 0.00 0.00 7.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 D 7.83 4.43 0.00 2.58 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 0.00 130 E 8.78 4.18 0.00 2.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.29 0.00 131 L 8.01 4.22 0.00 1.58 1.58 0.74 0.69 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 0.00 132 I 7.97 4.42 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 1.24 0.54 0.90 0.00 0.00 133 P 0.00 4.29 0.00 2.19 2.02 0.00 3.78 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 2.12 2.12 0.00 134 A 8.97 4.05 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 0.00 135 A 8.20 4.04 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 0.00 136 D 8.09 4.32 0.00 2.86 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 0.00 137 V 7.61 3.59 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 1.00 0.00 0.00 0.56 0.00 0.00 138 I 8.18 3.69 2.05 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.58 0.95 0.00 0.00 139 A 8.15 4.00 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 0.00 140 W 8.30 3.97 0.00 3.47 3.28 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 0.00 141 A 8.67 3.92 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 0.00 142 Q 8.45 3.83 0.00 2.22 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 143 A 7.63 3.99 1.19 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 0.00 0.00 144 R 6.71 4.30 0.00 1.49 1.62 0.00 2.80 0.00 0.00 3.01 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.34 0.00 145 S 8.04 3.65 0.00 3.98 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 0.00 146 A 7.83 4.22 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 0.00 147 R 8.50 4.03 0.00 1.92 1.86 0.00 3.08 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 148 L 8.45 5.12 0.00 1.61 1.45 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 149 L 8.95 4.63 0.00 1.77 1.47 0.92 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.32 4.78 0.00 0.81 0.13 0.36 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 151 V 8.00 4.38 1.72 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 0.61 0.00 0.00 0.83 0.00 0.00 152 D 8.68 5.14 0.00 2.84 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 0.00 153 D 8.17 4.49 0.00 2.72 2.47 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 0.00 0.00 0.00 0.00 154 G 8.07 4.60 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 0.00 155 H 8.87 4.17 0.00 3.25 3.38 0.00 5.92 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.98 4.09 0.00 1.86 1.97 0.00 3.44 0.00 0.00 3.25 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.70 0.00 157 L 8.19 3.87 0.00 1.84 1.72 0.87 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 158 G 8.48 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 A 8.26 4.59 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 0.00 160 H 8.16 4.93 0.00 3.24 3.28 0.00 5.82 0.00 0.00 0.00 0.00 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.19 3.69 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 1.12 0.00 0.00 0.96 0.00 0.00 162 Q 8.04 3.99 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 1.99 0.00 163 A 8.05 4.20 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 0.00 164 A 8.24 4.12 1.50 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 0.00 0.00 165 S 8.36 4.10 0.00 4.08 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 0.00 166 R 8.30 3.88 0.00 1.99 1.98 0.00 3.29 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.80 0.00 167 A 8.15 4.02 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 F 8.03 3.37 0.00 1.54 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 0.00 169 A 7.87 3.58 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 0.00 170 E 8.04 3.79 0.00 1.94 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 0.00 2.32 2.31 0.00 171 L 7.75 4.06 0.00 1.87 1.68 0.97 0.98 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 0.00 172 L 7.47 3.54 0.00 1.33 1.08 -0.44 -0.43 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 0.00 173 Q 8.14 4.22 0.00 2.04 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.50 0.00 174 S 7.69 4.47 0.00 4.06 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 0.00 175 L 7.79 4.30 0.00 2.10 1.80 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.