NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.4191 8.0433 122.6805 54.7829 43.3028 174.9795 4 I 4.7153 8.3873 123.9117 57.9313 39.6086 169.6359 5 V 4.4171 9.8888 128.1806 61.1384 34.7125 173.4225 6 N 5.1257 8.8759 125.2026 51.6476 40.8638 173.9026 7 V 4.7734 8.6678 124.0636 61.1655 34.2878 174.1616 8 I 4.9228 9.0321 129.1352 59.6253 40.3324 174.1499 9 N 5.4356 9.3547 125.2672 51.7153 40.9854 175.6371 10 G 4.3016 9.1570 114.3931 44.3067 0.0000 171.6143 11 P 4.7590 0.0000 0.0000 63.4468 32.1812 177.5656 12 N 4.5164 9.0944 116.0340 54.0230 37.0947 176.4444 13 L 4.1448 7.7414 117.1840 57.1622 41.8175 178.0774 14 G 3.8132 8.0417 105.3238 46.0934 0.0000 173.9155 15 R 4.6096 7.5235 117.5052 55.5938 30.7663 176.0629 16 L 4.0949 7.6577 118.9646 55.3001 41.6821 175.4380 17 G 3.8649 8.1793 114.6172 45.3804 0.0000 174.7315 18 R 4.2603 7.5109 119.7796 54.7064 29.7530 177.3560 *26 G 3.9801 7.8698 107.1877 46.6019 0.0000 173.5439 27 T 4.0683 7.7468 116.2754 63.1844 69.2892 174.6333 28 T 4.8358 8.2737 115.6609 60.3403 70.0514 175.2822 29 H 4.1436 8.6066 120.4902 59.2273 29.4376 176.8501 30 D 4.3611 8.0567 120.4910 57.1635 40.6623 178.3125 31 E 3.8173 7.7838 118.7808 59.0340 29.4707 178.9467 32 L 3.8121 7.7006 120.0599 57.9843 42.1880 179.0028 33 V 3.4349 7.3349 117.7351 65.9969 31.3369 177.9570 34 A 4.0204 7.5256 120.1115 54.9536 18.2880 179.6633 35 L 3.9541 7.8618 117.7833 57.8133 41.6969 179.7665 36 I 3.7283 7.7534 119.8219 64.5037 36.5884 178.4299 37 E 4.0135 8.0003 118.7642 59.0205 28.9645 179.3724 38 R 3.9524 7.5152 118.6598 59.1710 30.1312 177.7555 39 E 4.3299 8.4178 119.9118 58.4255 29.6270 178.6000 40 A 3.9963 8.2136 120.9075 54.9546 18.2095 179.4209 41 A 4.2530 7.5556 117.4364 54.9274 18.5385 179.3235 42 E 4.0898 7.8993 117.2118 58.7840 29.3897 178.4835 43 L 4.4939 7.9707 116.6406 54.2947 42.7101 176.5683 44 G 3.8481 8.6161 106.1161 46.2365 0.0000 172.8686 45 L 4.8783 8.1600 117.2606 52.3277 46.0802 176.9081 46 K 4.5054 8.5877 122.1526 54.9082 33.8317 174.6544 47 A 5.6800 8.4946 128.9059 49.3939 21.7213 175.5359 48 V 4.3181 8.1710 113.7412 59.4317 35.4287 174.5605 49 V 4.5967 8.3303 125.1321 61.2476 33.2077 174.9987 50 R 4.3790 8.6732 126.3167 54.3348 33.6364 173.8541 51 Q 5.3251 8.7509 124.8550 54.5479 31.4914 174.4304 52 S 4.8065 8.8217 119.2623 57.4754 65.6537 173.7662 53 D 4.5835 8.9864 124.6139 55.1735 41.6296 175.7872 54 S 4.7334 7.8299 115.3592 56.7799 64.2253 174.0903 55 E 3.8897 8.6913 129.1820 59.3170 29.6201 178.6763 56 A 3.9243 7.8562 120.3683 55.1991 18.3407 179.2628 57 Q 3.4303 7.4966 116.6030 58.9872 29.1539 178.3335 58 L 4.0757 7.4931 119.5844 57.7117 41.5181 179.4516 59 L 3.9769 7.8659 118.8877 57.8942 41.4596 179.1154 60 D 4.3934 7.8325 117.6908 57.1129 40.9366 178.3781 61 W 4.5427 7.8226 120.0943 59.6127 29.0463 178.3974 62 I 3.9382 7.6380 111.5822 63.7091 37.2740 177.9851 63 H 4.2798 7.9057 118.6433 59.1153 28.5349 177.6906 64 Q 4.0853 8.0898 119.7463 58.8639 28.5655 178.5919 65 A 4.0800 7.9303 121.7816 54.8066 18.2090 179.6235 66 A 4.0184 8.2552 119.7232 55.4531 18.3349 179.6540 67 D 4.2421 7.9675 115.6071 56.9118 40.9961 177.2482 68 A 4.2914 8.0276 119.1558 51.1471 19.7002 176.2845 69 A 3.7719 7.3159 118.0716 53.3847 16.5502 177.0719 70 E 4.8049 8.3878 119.5737 54.1860 32.2701 176.3959 71 P 4.6844 0.0000 0.0000 62.8814 33.1031 175.3168 72 V 4.9620 8.4243 120.8037 61.3362 35.1391 174.1157 73 I 4.8089 8.8721 129.0063 59.6727 39.2760 174.2681 74 L 5.1268 8.9833 129.8837 53.2592 44.9722 174.5679 75 N 5.1987 9.0976 125.4515 51.7701 39.6605 174.5801 76 A 4.1420 8.7169 128.6618 52.3252 20.2745 178.6429 77 G 4.0631 8.0644 105.3821 46.3874 0.0000 178.1631 78 G 3.7076 8.8005 114.1378 48.0496 0.0000 174.8461 79 L 4.3986 7.6595 120.4966 56.4850 41.5435 179.2293 80 T 3.9092 7.7102 116.6344 66.3323 68.1435 175.0737 81 H 5.0391 7.5763 114.2986 56.1899 29.4385 175.7377 82 T 4.5870 7.7238 109.1338 61.4605 70.4045 173.1827 83 S 4.5503 8.4434 117.9018 56.8636 62.2151 174.5103 84 V 2.9929 7.9177 128.4178 65.2797 30.9677 177.4731 85 A 3.9302 7.8112 120.3771 55.1830 18.1544 179.2565 86 L 3.9212 7.9850 118.5824 57.8903 41.5538 179.2202 87 R 3.9183 7.3940 118.7716 59.5465 29.8532 178.2509 88 D 4.4190 7.9571 117.2544 57.1852 40.8992 178.3394 89 A 4.2053 7.7812 121.2198 55.2239 18.4365 179.3537 90 C 4.2030 8.0072 114.7114 62.2208 27.9655 175.8977 91 A 4.1363 7.5184 120.7421 54.6422 17.9929 178.9991 92 E 4.1936 7.8108 116.3778 57.4817 29.6654 177.3401 93 L 4.1493 7.1883 119.6601 54.9272 42.0931 177.1563 94 S 4.2632 8.8341 120.2163 61.2917 63.3493 174.9252 95 A 4.3512 7.6829 119.6488 50.8021 19.2789 175.5571 96 P 4.4453 0.0000 0.0000 63.0142 33.0949 175.2062 97 L 5.1871 8.6164 123.4006 53.4041 45.1914 175.0243 98 I 4.8378 8.8982 129.6809 60.1378 39.9666 175.2121 99 E 4.8245 9.0207 125.9706 55.7606 31.2799 172.1438 100 V 4.6945 8.1488 123.0116 60.7412 34.6579 174.4502 101 H 4.9246 9.1529 123.5915 54.3771 32.6504 174.4486 102 I 4.1608 8.9022 123.7092 63.9147 37.7974 176.8558 103 S 4.5726 7.9079 114.4215 57.0768 64.2256 173.6966 104 N 4.4703 8.4009 119.9789 53.2736 37.5084 175.8126 105 V 3.6878 8.0336 125.6485 63.8160 31.9297 177.0968 106 H 4.4046 7.7413 116.3019 56.7711 28.9012 175.6489 107 A 4.4936 7.6909 120.7193 52.3092 20.1196 178.3760 108 R 4.5524 7.1221 115.1059 55.6572 29.7391 177.0914 109 E 3.9441 8.1593 125.1245 56.8289 30.3616 177.3557 110 E 3.8409 8.4971 122.4232 59.2164 29.8671 178.8594 111 F 4.5308 7.6105 111.7173 58.7034 38.4851 175.9893 112 R 3.8348 7.1483 120.5360 57.8748 30.2664 178.1137 113 R 4.0922 7.5970 114.8063 57.2030 30.1922 175.8455 114 H 4.8855 7.5522 115.1389 53.7235 30.9215 173.3740 115 S 4.8524 8.3641 117.9674 56.5887 64.8956 173.4878 116 Y 4.3455 8.5848 125.2513 60.4228 38.0283 177.3930 117 L 4.3905 7.9124 118.9476 56.5026 40.6236 178.8915 118 S 4.1466 7.7844 115.6834 61.2595 62.5976 174.8678 119 P 4.4104 0.0000 0.0000 64.2352 31.2488 176.9387 120 I 4.2142 7.0639 108.8672 60.5433 38.7190 175.7663 121 A 4.4106 7.4234 124.2961 51.8024 19.4895 177.7895 122 T 4.0953 9.0645 117.0900 66.4314 68.8038 175.5611 123 G 4.1539 7.7001 106.1070 44.7399 0.0000 171.3781 124 V 4.8833 8.1525 119.4796 60.8914 34.4993 174.5185 125 I 4.4839 8.6901 128.8017 59.5116 39.5285 174.7936 126 V 4.6191 8.0862 126.3477 61.8260 34.4576 175.4972 127 G 3.8983 8.5520 114.6451 46.2773 0.0000 173.7558 128 L 4.5008 7.8817 116.8915 53.7707 42.9028 178.6580 129 G 3.8310 7.7929 107.0964 46.8299 0.0000 176.4102 130 I 4.0824 8.2812 118.6014 63.7165 38.0189 177.6455 131 Q 4.2899 8.2198 119.8248 58.1738 28.4471 177.7987 132 G 3.6280 8.1886 106.6582 48.3410 0.0000 175.0615 133 Y 4.0943 7.7368 117.5320 60.9934 37.9489 178.7239 134 L 4.0871 8.0303 119.3834 57.7646 41.5504 179.4226 135 L 4.1562 7.6562 118.2320 57.5303 41.7538 179.0188 136 A 4.1607 7.7555 119.7950 54.9994 18.1463 179.6489 137 L 4.0977 7.7671 117.3835 57.9912 41.4535 179.7169 138 R 3.9345 7.5621 116.4591 59.3215 29.9630 177.6688 139 Y 4.2307 7.7637 118.2949 60.6774 38.8779 177.8834 140 L 4.0406 8.0374 119.0157 57.2537 41.6371 178.9275 141 A 4.1279 7.7065 120.1247 53.9416 18.3446 177.8095 142 E 4.4679 7.4433 113.3392 56.3770 30.2716 175.8836 143 H 4.2751 7.6937 121.7281 55.9109 29.6375 173.1252 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 3 L 8.04 4.42 0.00 1.36 1.62 0.92 0.42 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 4 I 8.39 4.72 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.16 0.95 0.00 0.00 5 V 9.89 4.42 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 1.00 0.00 0.00 0.94 0.00 0.00 6 N 8.88 5.13 0.00 2.83 2.66 0.00 0.00 6.10 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 7 V 8.67 4.77 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 1.05 0.00 0.00 0.94 0.00 0.00 8 I 9.03 4.92 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.82 1.18 0.00 0.00 9 N 9.35 5.44 0.00 2.72 2.80 0.00 0.00 6.45 7.16 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 10 G 9.16 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 0.00 0.00 0.00 0.00 11 P 0.00 4.76 0.00 2.22 2.01 0.00 4.26 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.24 0.00 12 N 9.09 4.52 0.00 3.00 3.00 0.00 0.00 7.00 6.74 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 13 L 7.74 4.14 0.00 1.90 1.81 1.04 0.89 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 14 G 8.04 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 15 R 7.52 4.61 0.00 2.04 1.93 0.00 3.34 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.71 0.00 16 L 7.66 4.09 0.00 1.75 1.85 1.03 1.01 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 17 G 8.18 3.86 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 0.00 0.00 0.00 18 R 7.51 4.26 0.00 1.94 2.01 0.00 3.08 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 *26 G 7.87 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 27 T 7.75 4.07 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 1.25 0.00 0.00 28 T 8.27 4.84 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 1.22 0.00 0.00 29 H 8.61 4.14 0.00 3.31 3.32 0.00 5.67 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 8.06 4.36 0.00 2.80 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 31 E 7.78 3.82 0.00 2.26 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 2.29 0.00 32 L 7.70 3.81 0.00 1.55 1.58 0.43 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 33 V 7.33 3.43 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 0.88 0.00 0.00 0.88 0.00 0.00 34 A 7.53 4.02 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 35 L 7.86 3.95 0.00 1.82 1.70 0.93 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 36 I 7.75 3.73 1.78 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.89 0.88 0.00 0.00 37 E 8.00 4.01 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.38 0.00 38 R 7.52 3.95 0.00 1.97 1.93 0.00 3.55 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 39 E 8.42 4.33 0.00 2.27 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 2.32 2.24 0.00 40 A 8.21 4.00 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 41 A 7.56 4.25 1.35 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 0.00 0.00 0.00 42 E 7.90 4.09 0.00 2.21 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 2.32 2.52 0.00 43 L 7.97 4.49 0.00 1.61 1.71 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.62 3.85 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 0.00 0.00 0.00 45 L 8.16 4.88 0.00 1.44 1.53 0.93 0.79 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 46 K 8.59 4.51 0.00 1.81 1.65 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.84 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.49 7.81 47 A 8.49 5.68 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 48 V 8.17 4.32 1.94 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 0.69 0.00 0.00 0.90 0.00 0.00 49 V 8.33 4.60 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 0.65 0.00 0.00 0.81 0.00 0.00 50 R 8.67 4.38 0.00 0.67 0.66 0.00 2.21 0.00 0.00 2.67 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.09 0.00 51 Q 8.75 5.33 0.00 1.98 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.67 0.00 0.00 0.00 0.00 0.00 2.51 2.10 0.00 52 S 8.82 4.81 0.00 4.05 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 53 D 8.99 4.58 0.00 2.83 2.68 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 54 S 7.83 4.73 0.00 3.84 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 55 E 8.69 3.89 0.00 2.05 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 2.34 2.36 0.00 56 A 7.86 3.92 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 57 Q 7.50 3.43 0.00 1.89 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.66 1.16 0.00 58 L 7.49 4.08 0.00 1.88 1.76 0.97 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 59 L 7.87 3.98 0.00 1.83 1.65 0.89 0.72 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 60 D 7.83 4.39 0.00 2.69 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 W 7.82 4.54 0.00 3.58 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 62 I 7.64 3.94 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.03 0.97 0.00 0.00 63 H 7.91 4.28 0.00 3.39 3.39 0.00 5.64 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 64 Q 8.09 4.09 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 65 A 7.93 4.08 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 66 A 8.26 4.02 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 67 D 7.97 4.24 0.00 2.87 2.77 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 68 A 8.03 4.29 1.35 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 0.00 0.00 0.00 69 A 7.32 3.77 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 70 E 8.39 4.80 0.00 1.80 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.36 0.00 71 P 0.00 4.68 0.00 2.10 2.01 0.00 3.77 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 2.13 2.11 0.00 72 V 8.42 4.96 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 1.10 0.00 0.00 0.96 0.00 0.00 73 I 8.87 4.81 1.95 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.42 0.95 0.00 0.00 74 L 8.98 5.13 0.00 1.74 1.49 1.07 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 75 N 9.10 5.20 0.00 2.83 2.83 0.00 0.00 6.67 7.50 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 76 A 8.72 4.14 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 77 G 8.06 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 78 G 8.80 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 79 L 7.66 4.40 0.00 1.87 1.75 0.93 0.62 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 80 T 7.71 3.91 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 1.27 0.00 0.00 81 H 7.58 5.04 0.00 3.34 3.55 0.00 5.60 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.72 4.59 4.29 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 1.28 0.00 0.00 83 S 8.44 4.55 0.00 3.89 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 84 V 7.92 2.99 1.84 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 0.89 0.00 0.00 0.19 0.00 0.00 85 A 7.81 3.93 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 86 L 7.98 3.92 0.00 1.77 1.67 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.39 3.92 0.00 1.78 2.06 0.00 3.38 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 1.65 1.87 0.00 88 D 7.96 4.42 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 89 A 7.78 4.21 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 90 C 8.01 4.20 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 91 A 7.52 4.14 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 92 E 7.81 4.19 0.00 2.11 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 2.37 2.38 0.00 93 L 7.19 4.15 0.00 1.74 1.65 0.95 1.30 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 94 S 8.83 4.26 0.00 3.88 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 A 7.68 4.35 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 96 P 0.00 4.45 0.00 2.22 2.17 0.00 3.58 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.18 0.00 97 L 8.62 5.19 0.00 1.78 1.49 0.94 0.86 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 98 I 8.90 4.84 1.84 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.68 0.79 0.00 0.00 99 E 9.02 4.82 0.00 1.64 1.81 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 2.21 2.12 0.00 100 V 8.15 4.69 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.18 0.00 0.00 0.71 0.00 0.00 101 H 9.15 4.92 0.00 2.98 3.07 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.90 4.16 1.93 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.48 0.94 0.00 0.00 103 S 7.91 4.57 0.00 3.96 3.87 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 0.00 104 N 8.40 4.47 0.00 2.73 2.76 0.00 0.00 6.65 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 0.00 105 V 8.03 3.69 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 0.48 0.00 0.00 0.85 0.00 0.00 106 H 7.74 4.40 0.00 3.24 3.32 0.00 5.64 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.69 4.49 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 0.00 108 R 7.12 4.55 0.00 1.64 1.42 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.66 0.00 109 E 8.16 3.94 0.00 1.16 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 2.31 2.20 0.00 110 E 8.50 3.84 0.00 2.00 1.94 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 2.41 2.43 0.00 111 F 7.61 4.53 0.00 3.11 3.19 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 0.00 112 R 7.15 3.83 0.00 1.76 1.75 0.00 2.89 0.00 0.00 3.05 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.82 0.00 113 R 7.60 4.09 0.00 1.74 1.87 0.00 3.19 0.00 0.00 3.15 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.47 0.00 114 H 7.55 4.89 0.00 3.17 3.08 0.00 5.59 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 0.00 115 S 8.36 4.85 0.00 3.80 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 0.00 116 Y 8.58 4.35 0.00 3.21 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 0.00 117 L 7.91 4.39 0.00 1.73 1.74 0.96 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 118 S 7.78 4.15 0.00 3.85 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 0.00 119 P 0.00 4.41 0.00 2.06 2.13 0.00 3.84 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 120 I 7.06 4.21 1.90 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 1.28 0.81 0.94 0.00 0.00 121 A 7.42 4.41 1.34 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 0.00 0.00 122 T 9.06 4.10 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 1.20 0.00 0.00 123 G 7.70 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 0.00 0.00 0.00 0.00 124 V 8.15 4.88 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 0.85 0.00 0.00 0.91 0.00 0.00 125 I 8.69 4.48 1.74 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 1.03 0.38 0.84 0.00 0.00 126 V 8.09 4.62 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 0.80 0.00 0.00 0.95 0.00 0.00 127 G 8.55 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 0.00 0.00 0.00 128 L 7.88 4.50 0.00 1.62 1.68 0.90 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 129 G 7.79 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 0.00 0.00 0.00 130 I 8.28 4.08 1.92 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 1.52 1.25 0.94 0.00 0.00 131 Q 8.22 4.29 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.45 2.45 0.00 132 G 8.19 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 0.00 133 Y 7.74 4.09 0.00 3.10 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 0.00 134 L 8.03 4.09 0.00 1.83 1.75 0.94 0.71 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 0.00 135 L 7.66 4.16 0.00 1.56 1.74 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.76 4.16 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 0.00 137 L 7.77 4.10 0.00 1.91 1.76 0.95 0.71 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 0.00 138 R 7.56 3.93 0.00 1.89 2.14 0.00 3.29 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.66 0.00 139 Y 7.76 4.23 0.00 3.13 3.13 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 0.00 140 L 8.04 4.04 0.00 1.88 1.71 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 141 A 7.71 4.13 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 0.00 142 E 7.44 4.47 0.00 1.94 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 143 H 7.69 4.28 0.00 2.72 2.92 0.00 5.88 0.00 0.00 0.00 0.00 6.91 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.