NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 4.0578 8.2360 109.1335 45.6145 0.0000 176.2529 *2 S 4.4284 9.1278 120.1451 57.8262 65.5547 178.0954 3 E 4.1299 8.0166 118.7023 59.2630 29.4024 179.2074 4 I 3.8427 7.5811 120.8692 64.4106 37.2223 178.1534 5 D 4.3081 8.0891 119.0369 57.1636 40.6369 178.5662 6 A 4.0239 8.1748 121.4371 55.0787 18.3553 179.2993 7 N 4.2486 8.2938 115.0564 56.6213 38.5789 176.6991 8 Y 3.9955 8.2876 121.0111 61.0789 38.8159 178.6557 9 R 3.9508 8.3061 118.5133 59.0020 30.0435 178.9559 10 A 3.9136 8.1675 120.6779 55.0800 18.3618 179.4768 11 L 3.7729 7.9921 118.6031 58.1740 42.0996 178.7661 12 A 3.9062 7.8617 120.9220 55.4294 18.2504 179.4708 13 Q 3.7833 8.1881 117.9062 59.0873 29.0908 178.2493 14 Q 3.9584 8.2233 119.4789 58.8222 28.7588 178.9529 15 V 3.5122 8.0019 119.1738 65.8825 31.5659 177.6387 16 A 4.1091 8.1308 120.8221 55.6351 18.0952 179.3875 17 D 4.3523 8.1511 118.4320 56.7378 40.6150 178.9753 18 K 3.8845 7.8745 119.3513 59.3556 32.4930 178.9094 19 V 3.9237 8.1908 119.5337 65.5638 31.6060 177.8173 20 A 4.1952 8.2228 120.7743 55.2029 17.9895 179.7102 21 G 4.1161 8.1101 102.9176 47.5042 0.0000 175.7423 22 R 4.1036 7.8328 119.6347 58.3707 30.0932 177.6449 23 V 4.2974 7.7386 110.2463 61.4860 33.8715 175.7614 24 I 4.4561 7.2522 117.8848 58.9144 41.1085 173.8476 25 A 4.2258 8.4332 129.2166 51.5223 17.6887 178.1407 26 L 3.8037 8.3244 123.3392 58.6153 41.8394 179.2223 27 D 4.5729 7.9102 114.7968 54.2864 39.6540 176.6095 28 R 4.4503 7.5525 118.0497 55.9829 31.0367 176.5784 29 L 4.1902 7.4038 118.3819 53.6109 42.4430 175.7803 30 P 4.3372 0.0000 0.0000 63.8304 32.8678 178.0040 31 E 4.0701 9.1672 123.5228 62.1576 29.4634 178.4946 32 S 4.3882 8.0710 118.0454 63.6729 62.4467 179.3705 33 L 4.3899 7.8335 122.4610 57.3652 41.4082 179.3085 34 L 3.9635 8.1541 120.5072 58.3715 42.0580 179.1427 35 T 3.8724 8.2041 115.6286 66.5612 68.3853 176.5158 36 A 4.1068 8.2388 122.7794 55.1876 18.0267 179.0749 37 Y 3.6898 8.0294 118.0946 60.8674 38.7445 178.5488 38 R 3.5936 8.0780 118.9979 59.2335 30.1428 179.3190 39 S 4.0550 7.9777 114.9580 61.3145 62.8053 176.4820 40 L 3.9436 7.8184 123.0459 58.3014 41.7832 178.7955 41 C 3.8442 7.6913 116.5876 62.7876 27.9701 175.7676 42 D 4.2461 8.0189 120.5013 57.2851 40.3815 178.6542 43 E 3.8872 8.1262 119.5847 59.4249 29.5311 178.9290 44 L 4.1101 8.0557 117.9519 57.5169 41.6298 179.2513 45 L 3.9533 7.9763 118.6950 57.6731 41.6332 178.8930 46 A 4.0194 7.9752 119.6130 53.1737 18.9594 177.0150 47 D 4.4364 8.4269 115.6760 55.0183 40.4537 175.6351 48 R 3.8851 8.2597 117.8239 59.3922 29.9990 177.7162 49 D 4.4843 8.2007 114.6372 54.0122 41.6693 177.1152 50 G 3.9061 8.5950 106.6270 47.1290 0.0000 175.6539 51 R 3.8865 7.7012 121.6142 59.3155 29.9600 178.4000 52 F 3.9980 9.0349 120.6136 61.5662 39.3405 176.8334 53 T 4.0159 8.4819 117.9142 67.6069 68.2615 176.8430 54 R 3.9221 8.0397 121.8195 61.6404 29.1717 180.1792 55 A 4.1178 7.5451 119.8957 54.7446 18.7804 179.2800 56 W 4.0385 8.1491 126.9294 60.7617 30.5850 177.9630 57 D 4.3170 8.1576 117.6436 57.4367 40.3531 178.5084 58 Q 4.0504 8.0256 116.9341 56.8995 29.0916 176.9123 59 L 3.9869 6.6331 120.1471 53.3700 42.3524 175.8586 60 P 4.2896 0.0000 0.0000 63.0249 33.2019 177.4865 61 D 4.5951 8.7627 120.9940 56.8036 40.5325 179.1197 62 S 4.0369 7.9697 113.7039 60.9689 63.2254 175.9409 63 A 4.1115 7.5074 123.7596 54.6043 19.0154 179.5399 64 S 3.4666 7.8581 113.0421 60.8926 62.6770 176.0595 65 S 4.4324 7.6291 115.8375 59.4232 63.1433 175.3726 66 L 3.8712 7.4086 122.5706 57.2394 41.4840 177.2321 67 F 5.1198 7.5347 113.6114 54.5320 43.1511 174.9626 68 E 4.3310 8.8089 121.9424 56.1186 31.2169 178.0348 69 R 2.7864 8.7078 122.5848 59.7748 29.9072 178.7729 70 C 3.3708 7.6776 113.2344 60.6006 29.5226 175.9367 71 V 3.4518 7.5199 120.4643 65.9161 31.2560 177.5723 72 F 4.3534 8.5192 120.5646 61.4664 39.1541 176.2291 73 H 3.5701 8.6449 118.4671 59.2362 29.6582 177.1378 74 G 3.5799 8.0679 107.4383 47.8682 0.0000 175.1949 75 F 4.1318 8.2185 122.9928 61.1010 39.3998 176.4860 76 Y 4.0733 8.0599 119.2582 60.7030 38.5734 177.8333 77 L 3.4473 7.8314 119.8355 57.7908 41.7188 179.6066 78 A 4.1463 7.6968 119.8096 55.3666 18.3086 179.4910 79 N 4.1933 7.8711 114.7502 56.2415 38.4636 177.4908 80 A 3.9704 8.3270 122.7081 54.8995 18.3866 179.5478 81 W 4.1179 8.2733 126.8667 60.5101 30.8829 178.2918 82 I 3.0518 7.9046 119.8034 64.1640 36.4134 178.0954 83 Q 3.8278 8.0765 120.3715 59.0915 28.8152 178.1153 84 L 3.7788 8.0943 121.5970 58.1964 41.8976 178.7097 85 S 3.8288 7.6637 114.2694 62.0255 62.7776 176.8085 86 I 3.7383 7.1772 120.3037 63.8039 36.8890 178.1318 87 V 3.9711 7.1821 111.3699 61.3294 32.1964 176.4120 88 A 3.9859 7.2989 121.2644 51.4443 19.1045 176.3315 89 R 4.5207 7.7169 118.4602 54.0499 32.6776 176.6805 90 D 4.4719 8.4538 120.6421 55.1282 42.3427 177.5187 91 I 3.8018 8.6716 130.3910 65.8219 35.4442 176.0427 92 S 4.3941 8.0172 118.3877 63.6104 62.2555 180.2329 93 E 4.1429 8.0474 121.8222 59.0998 29.1055 178.9192 94 L 3.8211 7.7720 120.4592 58.7038 42.0395 180.0968 95 Q 4.2372 8.1385 120.1948 60.2393 27.8231 179.5502 96 D 4.6646 7.7475 119.0270 56.5003 41.4011 177.3065 97 T 4.7191 7.4482 107.5737 61.3095 69.1581 175.1197 98 D 5.4735 7.9981 120.7802 55.0995 39.6803 177.7992 99 E 3.9812 7.9726 119.6425 59.7095 29.8594 178.1244 100 A 4.0639 7.9148 121.4819 54.3525 18.9487 177.2710 101 I 4.4194 8.0838 116.2229 58.6528 39.5033 175.0240 102 A 4.6279 8.2510 128.8540 50.9221 20.2953 177.1504 103 E 2.0000 8.4100 122.2822 58.9274 29.7758 179.0348 104 Q 3.7625 7.8136 118.8792 59.3385 28.9771 178.3862 105 E 3.8802 7.7164 118.9445 59.5474 29.8633 178.6872 106 Y 4.1072 7.5123 117.8903 59.9546 37.9018 178.4698 107 S 4.0900 7.7582 116.5614 60.8854 63.1877 176.5710 108 G 3.6325 7.8001 108.9455 47.6873 0.0000 175.3009 109 L 4.0744 7.8624 122.9456 58.0578 41.9916 178.7328 110 Y 4.2877 8.1970 116.7144 61.0545 37.7511 178.4392 111 V 3.6664 7.9561 119.1986 66.2079 31.4098 178.2363 112 R 4.1240 7.7952 116.3334 59.3510 30.0885 178.9317 113 V 3.7519 8.1953 117.9019 65.8065 31.4931 177.7758 114 A 4.0392 8.3142 120.7883 55.5224 18.2902 179.3296 115 E 4.5855 8.8455 118.1690 59.0181 29.2922 179.5084 116 A 4.1181 7.9163 120.3016 54.6532 18.3838 179.0142 117 A 4.2511 8.5379 119.3595 54.0936 18.3236 179.2634 118 L 3.7955 8.1395 119.7517 57.8290 42.0788 178.8714 119 K 3.9509 7.7623 118.2564 59.6475 32.2197 178.4861 120 E 4.0789 8.2200 119.0726 59.2415 29.6684 178.6503 121 S 4.5506 8.3553 115.4637 61.7497 62.9159 176.7774 122 V 3.7753 8.5255 121.3639 65.8882 31.2588 177.9296 123 K 3.9597 8.2835 119.3491 59.4686 32.0840 178.8160 124 K 4.0479 8.3226 118.7029 59.5743 31.8361 178.9957 125 L 4.0643 7.9575 119.1479 58.2206 42.1048 178.9122 126 K 4.1194 8.3377 118.5333 59.2824 31.9842 179.5210 127 K 3.9866 8.3682 118.7060 59.3629 30.6066 179.1546 128 A 4.2133 8.2755 120.9023 55.0550 17.9900 179.7308 129 R 4.1493 7.6701 116.5753 58.7175 30.1651 177.5508 130 T 4.3569 7.3944 105.6277 60.7063 70.4590 173.1371 131 D 4.7981 7.8620 122.0329 52.1454 41.7069 175.8616 132 R 4.1786 8.4581 124.6054 59.0523 30.0305 179.2533 133 S 4.3182 8.0949 111.6163 59.7799 62.2812 175.1638 *135 Y 4.6247 7.9372 122.5071 57.8533 40.2136 176.0372 136 N 4.5176 8.8962 117.3188 56.6449 38.8740 178.0356 137 S 4.5035 8.3258 112.3436 59.1636 62.3599 176.4608 *139 R 4.0286 8.1661 121.0057 56.3360 31.7522 177.5794 140 E 3.9804 8.3273 117.1360 59.5153 29.3032 180.9354 141 V 3.8450 8.0639 113.6620 61.2877 30.6172 177.8356 *143 G 3.9070 8.1426 106.1092 44.9734 0.0000 173.6815 144 I 4.0308 7.4220 119.0422 60.6296 37.7539 175.3963 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 8.24 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 *2 S 9.13 4.43 0.00 3.69 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 3 E 8.02 4.13 0.00 2.16 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.36 0.00 4 I 7.58 3.84 1.89 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 1.75 0.97 0.96 0.00 0.00 5 D 8.09 4.31 0.00 2.80 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 6 A 8.17 4.02 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 7 N 8.29 4.25 0.00 3.02 2.91 0.00 0.00 6.65 6.99 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 8 Y 8.29 4.00 0.00 3.07 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 R 8.31 3.95 0.00 2.05 1.96 0.00 3.16 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.91 0.00 10 A 8.17 3.91 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 11 L 7.99 3.77 0.00 1.70 1.53 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 12 A 7.86 3.91 1.10 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 0.00 0.00 13 Q 8.19 3.78 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.37 0.00 14 Q 8.22 3.96 0.00 2.26 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 15 V 8.00 3.51 2.13 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 1.08 0.00 0.00 0.91 0.00 0.00 16 A 8.13 4.11 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 17 D 8.15 4.35 0.00 2.84 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 18 K 7.87 3.88 0.00 1.99 2.01 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.44 1.48 7.81 19 V 8.19 3.92 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 1.07 0.00 0.00 1.15 0.00 0.00 20 A 8.22 4.20 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.11 4.12 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 0.00 22 R 7.83 4.10 0.00 1.90 2.02 0.00 3.29 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.83 0.00 23 V 7.74 4.30 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 0.67 0.00 0.00 1.04 0.00 0.00 24 I 7.25 4.46 1.95 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 1.40 1.39 1.05 0.00 0.00 25 A 8.43 4.23 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 26 L 8.32 3.80 0.00 1.51 1.42 0.47 -0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.91 4.57 0.00 2.75 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 28 R 7.55 4.45 0.00 1.94 1.97 0.00 3.15 0.00 0.00 3.21 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 29 L 7.40 4.19 0.00 1.76 1.64 0.93 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.34 0.00 2.18 2.01 0.00 3.66 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.18 0.00 31 E 9.17 4.07 0.00 1.97 1.99 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 2.32 1.97 0.00 32 S 8.07 4.39 0.00 3.73 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 33 L 7.83 4.39 0.00 1.90 1.95 0.97 0.58 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 34 L 8.15 3.96 0.00 1.75 1.81 0.85 0.58 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 35 T 8.20 3.87 4.51 0.00 0.00 0.00 0.00 0.00 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 36 A 8.24 4.11 1.56 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 0.00 0.00 37 Y 8.03 3.69 0.00 2.18 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 38 R 8.08 3.59 0.00 1.97 1.87 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.83 0.00 39 S 7.98 4.05 0.00 3.91 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 40 L 7.82 3.94 0.00 1.92 1.64 0.95 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 41 C 7.69 3.84 0.00 2.73 2.76 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 42 D 8.02 4.25 0.00 2.76 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 43 E 8.13 3.89 0.00 2.14 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 2.41 0.00 44 L 8.06 4.11 0.00 1.41 1.56 0.58 1.07 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 45 L 7.98 3.95 0.00 1.66 1.65 0.80 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 46 A 7.98 4.02 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 47 D 8.43 4.44 0.00 3.19 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 48 R 8.26 3.89 0.00 1.86 2.01 0.00 3.26 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.64 0.00 49 D 8.20 4.48 0.00 2.80 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 50 G 8.59 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 51 R 7.70 3.89 0.00 2.20 2.06 0.00 3.18 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 52 F 9.03 4.00 0.00 3.22 3.33 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 53 T 8.48 4.02 4.47 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 1.33 0.00 0.00 54 R 8.04 3.92 0.00 1.83 1.95 0.00 3.29 0.00 0.00 3.17 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 55 A 7.55 4.12 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 56 W 8.15 4.04 0.00 2.79 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 57 D 8.16 4.32 0.00 2.88 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 58 Q 8.03 4.05 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.86 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 59 L 6.63 3.99 0.00 1.24 1.23 0.18 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.29 0.00 2.15 2.09 0.00 3.54 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 61 D 8.76 4.60 0.00 2.70 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 62 S 7.97 4.04 0.00 3.94 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 63 A 7.51 4.11 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 64 S 7.86 3.47 0.00 3.07 3.17 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 65 S 7.63 4.43 0.00 4.03 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 66 L 7.41 3.87 0.00 1.30 0.87 0.93 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 67 F 7.53 5.12 0.00 3.23 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 68 E 8.81 4.33 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 69 R 8.71 2.79 0.00 1.44 1.85 0.00 3.06 0.00 0.00 3.53 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.50 0.00 70 C 7.68 3.37 0.00 2.35 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 71 V 7.52 3.45 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 0.95 0.00 0.00 0.92 0.00 0.00 72 F 8.52 4.35 0.00 3.51 3.42 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 73 H 8.64 3.57 0.00 2.97 3.07 0.00 5.68 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 8.07 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 0.00 0.00 0.00 75 F 8.22 4.13 0.00 3.02 3.11 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 76 Y 8.06 4.07 0.00 2.77 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.83 3.45 0.00 1.76 1.50 0.59 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 A 7.70 4.15 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 79 N 7.87 4.19 0.00 2.57 2.78 0.00 0.00 6.95 7.21 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 80 A 8.33 3.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 W 8.27 4.12 0.00 3.42 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 82 I 7.90 3.05 1.92 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 1.22 1.02 0.76 0.00 0.00 83 Q 8.08 3.83 0.00 2.07 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 84 L 8.09 3.78 0.00 1.70 1.56 0.54 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.66 3.83 0.00 3.40 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 86 I 7.18 3.74 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.37 0.83 0.00 0.00 87 V 7.18 3.97 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 0.73 0.00 0.00 0.85 0.00 0.00 88 A 7.30 3.99 0.65 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 0.00 0.00 89 R 7.72 4.52 0.00 1.78 1.84 0.00 3.31 0.00 0.00 3.12 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 90 D 8.45 4.47 0.00 2.82 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 0.00 0.00 0.00 0.00 91 I 8.67 3.80 1.87 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 1.50 0.56 0.91 0.00 0.00 92 S 8.02 4.39 0.00 3.73 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 93 E 8.05 4.14 0.00 2.14 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 2.38 2.38 0.00 94 L 7.77 3.82 0.00 1.55 0.77 0.69 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 8.14 4.24 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 96 D 7.75 4.66 0.00 2.75 2.93 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 97 T 7.45 4.72 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 98 D 8.00 5.47 0.00 3.05 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 99 E 7.97 3.98 0.00 1.97 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 2.32 2.38 0.00 100 A 7.91 4.06 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 0.00 101 I 8.08 4.42 1.98 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 1.27 0.77 1.04 0.00 0.00 102 A 8.25 4.63 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 0.00 103 E 8.41 2.00 0.00 1.82 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 0.00 2.04 2.25 0.00 104 Q 7.81 3.76 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.71 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 105 E 7.72 3.88 0.00 2.06 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 2.32 2.27 0.00 106 Y 7.51 4.11 0.00 2.79 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 S 7.76 4.09 0.00 4.01 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 0.00 108 G 7.80 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 0.00 109 L 7.86 4.07 0.00 1.88 1.98 1.00 1.11 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 0.00 110 Y 8.20 4.29 0.00 3.29 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 0.00 111 V 7.96 3.67 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 1.06 0.00 0.00 112 R 7.80 4.12 0.00 2.10 2.04 0.00 3.43 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 113 V 8.20 3.75 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 0.97 0.00 0.00 1.01 0.00 0.00 114 A 8.31 4.04 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 0.00 115 E 8.85 4.59 0.00 2.33 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 2.57 2.47 0.00 116 A 7.92 4.12 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 0.00 117 A 8.54 4.25 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.14 3.80 0.00 1.58 1.67 0.36 0.25 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 0.00 119 K 7.76 3.95 0.00 1.95 1.96 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.48 7.81 120 E 8.22 4.08 0.00 2.18 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 2.43 2.55 0.00 121 S 8.36 4.55 0.00 4.31 4.28 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 0.00 122 V 8.53 3.78 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 1.18 0.00 0.00 123 K 8.28 3.96 0.00 2.03 2.05 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.44 1.36 7.81 124 K 8.32 4.05 0.00 2.35 2.05 0.00 2.12 0.00 0.00 1.92 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.62 1.78 7.81 125 L 7.96 4.06 0.00 1.68 1.78 1.05 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 126 K 8.34 4.12 0.00 2.04 1.82 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.39 1.50 7.81 127 K 8.37 3.99 0.00 2.01 1.91 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.69 7.81 128 A 8.28 4.21 1.60 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 0.00 129 R 7.67 4.15 0.00 1.83 1.96 0.00 3.04 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 130 T 7.39 4.36 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 1.18 0.00 0.00 131 D 7.86 4.80 0.00 2.68 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 0.00 132 R 8.46 4.18 0.00 2.09 2.18 0.00 3.04 0.00 0.00 3.33 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.69 0.00 133 S 8.09 4.32 0.00 4.13 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 *135 Y 7.94 4.62 0.00 3.20 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.90 4.52 0.00 2.88 2.91 0.00 0.00 7.11 7.52 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 0.00 137 S 8.33 4.50 0.00 3.92 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 *139 R 8.17 4.03 0.00 1.94 1.96 0.00 3.08 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.22 0.00 140 E 8.33 3.98 0.00 1.99 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 141 V 8.06 3.85 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 1.13 0.00 0.00 *143 G 8.14 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 0.00 144 I 7.42 4.03 1.91 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.73 0.90 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.