NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 Q 4.2926 8.3444 119.6879 55.2076 30.0140 174.6140 4 L 3.8513 8.5566 125.1626 55.0736 42.5565 174.3291 5 T 4.6982 9.0184 119.8964 60.5081 71.0925 172.1707 6 L 5.0320 8.1565 127.0222 52.8086 45.5023 175.7890 7 D 4.6549 8.4525 120.2148 52.2515 41.3755 177.1722 8 K 3.8195 8.8459 120.1083 60.3046 31.8873 178.4193 9 T 4.0578 7.8372 108.9152 64.4923 69.0953 176.4738 10 D 4.3319 8.7337 122.1932 57.1417 40.7645 178.6834 11 I 3.6842 7.7734 120.4505 64.1131 37.0654 178.1429 12 K 4.0823 7.6138 121.7058 58.9536 31.9247 178.5619 13 I 3.6957 7.9560 120.0296 64.6781 37.0942 178.4461 14 L 4.0021 7.9643 119.4891 57.9340 41.4341 179.7110 15 Q 4.0349 8.4908 118.5657 58.6720 28.5248 178.9590 16 V 3.6319 8.0383 119.5091 66.0008 31.4318 178.0753 17 L 4.0803 7.9028 117.5499 58.0405 41.5244 179.2549 18 Q 4.1338 7.9202 117.0439 58.9383 28.6826 178.3030 19 E 4.3892 7.6557 117.9984 57.6467 31.1660 176.7752 20 N 4.9566 8.5570 116.8157 50.9614 39.2154 175.0222 21 G 3.9827 8.4574 109.4738 47.0645 0.0000 171.4084 22 R 4.5487 7.2940 119.7219 55.5683 30.4107 175.3759 23 L 4.7270 7.7235 116.4813 53.3265 43.5437 177.8329 24 T 4.1338 8.4826 113.8111 61.3848 70.8315 175.3209 25 N 4.3094 8.5348 119.2509 56.7219 39.0024 176.9532 26 V 3.6226 7.7509 119.2793 66.0671 31.7151 177.7190 27 E 4.2457 8.0751 119.4535 58.6586 29.2922 179.1710 28 L 3.8951 8.0211 120.3668 58.2011 42.2480 178.5525 29 S 4.1020 8.4203 113.5934 61.7480 62.2101 176.2275 30 E 3.9537 8.2514 120.7090 59.6082 29.0406 179.4865 31 R 4.0431 7.7083 116.4957 58.8871 30.2524 178.6511 32 V 4.0209 7.7645 108.8464 60.0750 32.8225 175.2290 33 A 3.5996 7.6719 118.8375 53.4900 15.7438 176.6880 34 L 4.8984 7.8480 119.0333 52.9399 46.1802 177.8425 35 S 4.5163 8.1972 115.4219 57.4714 65.0057 173.7695 36 P 4.3304 0.0000 0.0000 65.8485 31.0500 179.0365 37 S 4.0551 7.9445 111.3546 61.0844 62.5610 174.2602 38 P 4.2757 0.0000 0.0000 65.6057 31.0825 178.2421 39 C 4.1148 8.2085 117.6111 62.3254 31.5248 175.3952 40 L 3.9465 8.2337 122.3200 58.0828 41.3187 178.7738 41 R 3.8985 8.0081 118.6721 59.5454 29.8851 178.6646 42 R 3.9699 8.0611 117.7071 59.2196 30.0869 178.7451 43 L 3.9629 7.9690 120.0858 58.2608 42.0401 178.2455 44 K 3.7972 8.2176 119.4601 60.0547 31.9269 178.2787 45 Q 4.0703 8.0245 116.0700 59.5239 28.0596 179.0319 46 L 3.9749 7.7810 120.4495 57.6116 41.1655 179.0983 47 E 4.0679 8.3982 119.3254 59.1571 29.4119 177.9954 48 D 4.5615 8.6450 116.9394 55.5687 41.1979 177.3861 49 A 4.3994 7.6196 120.0936 51.9494 19.1593 178.1068 50 G 3.9115 7.6095 104.6256 45.3873 0.0000 174.9863 51 I 3.7111 7.3443 119.8409 63.9943 37.1607 176.8000 52 V 3.8429 7.6067 120.2445 61.9390 31.5649 175.3557 53 R 4.3158 8.1672 123.6450 57.2804 30.6727 176.0902 54 Q 4.4666 7.2334 115.4336 55.4708 31.6093 172.0652 55 Y 4.6229 8.5675 120.5567 56.3137 39.9579 175.2419 56 A 4.6687 8.2261 124.8183 50.3198 22.4093 175.5159 57 A 4.2853 8.5650 124.6512 51.6036 19.3990 176.9562 58 L 4.6878 8.3749 122.6618 52.8835 43.7897 176.0712 59 L 4.6374 8.0573 122.1005 52.6716 44.2196 175.9986 60 S 4.3480 8.2588 115.2991 57.1375 62.8058 173.0761 61 P 3.9879 0.0000 0.0000 65.7642 31.1024 178.4566 62 E 4.0117 8.1822 117.1760 59.3353 29.2179 179.3287 63 S 4.2631 7.8268 113.3564 60.3996 62.9506 175.3313 64 V 4.2220 6.9654 114.5578 60.8745 31.9779 175.2360 65 N 4.2386 8.0911 115.4483 54.7382 37.9468 173.9328 66 L 5.1222 7.7858 118.4040 53.1957 39.0388 176.7858 67 G 3.7784 8.6020 107.7039 47.7011 0.0000 170.9057 68 L 4.8039 8.4970 123.8762 53.2688 44.5881 174.8909 69 Q 4.5111 8.7815 127.5907 54.1842 31.3980 173.6159 70 A 4.9784 8.7694 128.9129 50.0913 22.2631 175.0227 71 F 5.0429 8.8397 120.6428 55.9372 41.3836 174.7464 72 I 4.8883 8.9251 125.9787 59.6290 39.6402 175.1877 73 R 4.8855 9.3290 127.5797 55.2198 31.4347 175.5023 74 V 4.7568 9.1976 125.5506 61.2812 33.8610 174.4870 75 S 5.1503 9.2315 124.6543 57.1418 64.4767 173.3261 76 I 4.3499 8.8943 126.3188 59.9845 38.8227 175.7353 77 R 3.9422 8.6531 128.2550 56.1346 30.4099 178.0878 78 K 4.2588 8.2709 124.3231 55.1383 30.4621 174.8019 79 A 4.8270 7.2292 123.6630 49.4937 23.1344 175.6142 80 K 4.1363 8.4026 118.6809 58.1515 33.4007 177.3740 81 D 4.5694 9.0022 119.5645 55.1284 38.9982 175.7577 82 A 4.0506 7.7748 121.7843 55.1758 18.2333 180.2439 83 R 4.0288 8.0071 116.0734 59.4764 30.2043 178.8581 84 E 3.9631 8.2035 117.6839 59.7181 29.6942 178.8700 85 D 4.3729 8.6951 119.0406 57.5386 40.8406 178.9728 86 F 3.8399 8.4222 120.7301 60.8663 39.4511 176.7989 87 A 3.5593 8.1233 120.6084 55.2436 17.9103 179.4218 88 A 3.7771 7.7025 117.5749 55.3525 18.7033 179.8282 89 S 3.7173 7.4558 113.2331 61.4968 62.9837 176.9331 90 V 2.5010 6.4155 120.8084 65.7419 30.8014 178.2671 91 R 3.8451 7.1461 116.1464 58.2693 29.8546 178.0657 92 K 4.5925 7.2422 116.0011 54.9114 32.6287 176.3292 93 W 5.0076 7.3725 121.0777 54.4291 29.2160 175.1636 94 P 4.3539 0.0000 0.0000 65.0807 31.2438 178.2453 95 E 3.6907 8.0647 115.8925 58.0655 29.7354 176.3437 96 V 4.3770 7.4489 119.9690 61.7618 31.5805 175.1651 97 L 4.4815 8.8968 129.2577 56.8495 42.4464 177.6099 98 S 4.5818 7.7862 111.2256 56.9623 66.9355 173.1125 99 C 5.0400 7.6725 121.0872 58.4689 34.3168 172.8687 100 F 5.1488 9.4357 124.8831 55.3645 42.3141 174.3555 101 A 4.7057 8.9208 125.3566 51.4924 18.7196 176.6184 102 L 4.8831 8.2960 121.9658 53.0238 44.7697 176.8119 103 T 4.1729 8.5963 109.3053 62.9807 70.0598 175.9931 104 G 4.0566 7.5334 114.6513 45.0697 0.0000 173.8175 105 E 3.9720 8.7793 120.3186 59.1474 30.0209 178.1072 106 T 4.2372 7.7099 115.8142 62.9692 69.3288 173.9419 107 D 4.4361 8.9451 126.9901 57.0871 42.1359 176.0750 108 Y 5.3279 8.3192 115.4194 56.1361 42.3083 173.9651 109 L 5.2499 9.1947 126.2981 53.6047 44.2045 174.9450 110 L 5.3712 9.2400 126.4131 53.0537 45.1197 175.0367 111 Q 4.7852 8.9864 123.2785 54.2442 31.6663 174.1530 112 A 5.0806 8.5147 126.5344 50.6098 23.1918 174.6417 113 F 5.2124 8.3058 117.9040 55.8992 42.2860 174.8720 114 F 4.9821 9.3434 119.7425 56.3775 43.7281 175.7075 115 T 4.6601 9.2344 111.7711 64.9317 69.9346 174.2639 116 D 4.4948 8.2564 124.1597 53.4147 47.2346 176.7830 *118 N 4.5223 9.5902 114.8370 53.0473 41.2356 176.2408 119 A 4.0558 8.4146 119.7936 55.1294 18.4627 179.3954 120 F 2.9444 8.2160 119.2150 61.0766 39.3559 177.2534 121 S 3.9172 7.9538 112.2024 61.6894 62.2660 175.6555 122 H 4.2099 7.9757 118.7830 58.7107 28.3197 177.6130 123 F 3.9856 7.9463 121.9746 61.1539 39.2068 177.3103 124 V 3.0458 7.1889 117.6347 65.8795 31.0765 178.0526 125 L 3.8550 7.5078 117.0896 57.6189 41.6501 178.0608 126 D 4.5384 7.8453 116.3989 55.3574 41.1001 176.6017 127 T 4.1423 7.1067 112.7283 64.9507 70.9404 175.8436 128 L 3.4873 6.9805 122.9846 58.0600 42.2781 179.3389 129 L 4.0740 7.9316 118.6436 57.2055 41.6984 178.6521 130 S 4.2930 7.2292 112.3339 59.6312 63.6469 174.0658 131 H 4.3619 8.0166 123.1999 56.0310 29.9870 175.6976 132 H 4.1510 8.8784 122.6980 58.3650 28.6132 176.0869 133 G 3.9003 8.0111 105.5814 46.4833 0.0000 173.0526 134 V 4.3538 7.8626 121.8172 61.4787 32.0098 175.3118 135 Q 4.2182 8.9759 130.5373 58.7966 29.7602 175.0887 136 D 4.6907 7.6308 114.9568 53.5860 44.6164 174.0392 137 A 5.4230 8.4668 123.3179 50.5250 22.6732 175.4494 138 Q 4.6993 9.1550 117.4376 54.8318 32.3928 174.0428 139 S 5.2306 8.7444 116.5440 56.8277 66.9037 173.0917 140 S 4.6109 8.4267 116.3113 56.5316 66.6065 172.5563 141 F 5.3121 8.3755 117.4588 55.4629 43.0352 174.7429 142 V 3.8919 8.4958 121.4705 62.9979 31.1894 176.0175 143 L 4.3489 8.7344 127.9448 56.6713 42.4266 177.3051 144 K 4.3842 7.5012 116.9777 55.0679 34.9899 174.1754 145 E 4.2377 8.8295 127.6656 56.0205 29.8942 175.9734 146 I 4.1001 8.4915 127.5978 63.2794 37.9400 176.3231 147 K 4.5450 7.6001 118.0666 55.4910 34.9038 175.2123 148 H 4.5847 8.4284 124.4019 56.0500 30.4043 172.2169 149 T 4.6315 8.1555 120.3434 60.3065 70.2804 173.6525 150 T 4.3591 8.1781 113.6501 61.5006 69.6822 174.9870 151 S 4.4068 7.8826 120.1951 58.4972 63.1241 174.2255 152 L 4.3317 8.7722 126.4825 53.3363 42.2531 175.1841 153 P 4.5121 0.0000 0.0000 62.9628 32.1134 176.1937 154 L 4.7175 8.2607 117.7468 54.2512 43.6367 178.0146 155 N 4.4593 8.1354 116.8251 55.7036 38.7687 176.7477 156 H 4.2782 8.1794 112.9896 58.0518 29.1140 176.5916 157 L 4.0649 7.7495 120.3347 56.2616 41.8281 177.0076 158 L 4.2240 7.3836 123.3288 55.7037 40.6101 176.3231 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 Q 8.34 4.29 0.00 2.07 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.84 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 4 L 8.56 3.85 0.00 1.66 1.59 0.92 0.61 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 5 T 9.02 4.70 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 6 L 8.16 5.03 0.00 1.60 1.50 0.91 1.01 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 7 D 8.45 4.65 0.00 2.79 2.79 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 8 K 8.85 3.82 0.00 1.83 1.89 0.00 1.71 0.00 0.00 1.87 0.00 0.00 2.97 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.52 1.54 7.81 9 T 7.84 4.06 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 10 D 8.73 4.33 0.00 2.91 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 11 I 7.77 3.68 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.58 0.89 0.00 0.00 12 K 7.61 4.08 0.00 1.99 1.89 0.00 1.69 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.36 7.81 13 I 7.96 3.70 2.05 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.58 0.93 0.00 0.00 14 L 7.96 4.00 0.00 1.85 1.71 0.91 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.49 4.03 0.00 2.23 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.83 0.00 0.00 0.00 0.00 0.00 2.38 2.50 0.00 16 V 8.04 3.63 2.22 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 1.12 0.00 0.00 0.96 0.00 0.00 17 L 7.90 4.08 0.00 1.82 1.76 1.02 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 18 Q 7.92 4.13 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 19 E 7.66 4.39 0.00 2.23 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 0.00 2.41 2.53 0.00 20 N 8.56 4.96 0.00 2.76 2.70 0.00 0.00 6.86 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.46 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 22 R 7.29 4.55 0.00 1.87 1.86 0.00 3.24 0.00 0.00 3.21 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.50 0.00 23 L 7.72 4.73 0.00 1.67 1.57 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.48 4.13 4.22 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 1.19 0.00 0.00 25 N 8.53 4.31 0.00 2.80 2.84 0.00 0.00 6.50 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 26 V 7.75 3.62 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 1.05 0.00 0.00 0.93 0.00 0.00 27 E 8.08 4.25 0.00 2.26 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 2.33 2.17 0.00 28 L 8.02 3.90 0.00 1.78 1.83 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 29 S 8.42 4.10 0.00 3.88 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 30 E 8.25 3.95 0.00 2.24 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 2.33 2.46 0.00 31 R 7.71 4.04 0.00 2.06 2.01 0.00 3.20 0.00 0.00 3.44 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 32 V 7.76 4.02 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 0.77 0.00 0.00 1.06 0.00 0.00 33 A 7.67 3.60 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 34 L 7.85 4.90 0.00 1.60 1.55 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.20 4.52 0.00 3.86 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 36 P 0.00 4.33 0.00 2.15 2.19 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.15 0.00 37 S 7.94 4.06 0.00 3.88 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 38 P 0.00 4.28 0.00 2.20 2.09 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 39 C 8.21 4.11 0.00 3.13 3.12 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 40 L 8.23 3.95 0.00 2.09 1.85 0.92 0.95 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 41 R 8.01 3.90 0.00 1.98 2.18 0.00 3.20 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 1.63 1.73 0.00 42 R 8.06 3.97 0.00 2.07 2.10 0.00 3.59 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.79 0.00 43 L 7.97 3.96 0.00 1.89 1.88 0.99 0.49 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 44 K 8.22 3.80 0.00 1.92 1.96 0.00 1.60 0.00 0.00 1.71 0.00 0.00 3.24 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.68 7.81 45 Q 8.02 4.07 0.00 2.37 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.45 0.00 46 L 7.78 3.97 0.00 1.85 1.76 0.98 1.24 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 47 E 8.40 4.07 0.00 2.35 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 2.39 2.43 0.00 48 D 8.64 4.56 0.00 2.63 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 49 A 7.62 4.40 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 50 G 7.61 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 I 7.34 3.71 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 1.18 0.57 0.90 0.00 0.00 52 V 7.61 3.84 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 0.29 0.00 0.00 0.88 0.00 0.00 53 R 8.17 4.32 0.00 1.92 2.00 0.00 3.11 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 54 Q 7.23 4.47 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.77 0.00 0.00 0.00 0.00 0.00 2.21 2.32 0.00 55 Y 8.57 4.62 0.00 3.01 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 56 A 8.23 4.67 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 57 A 8.57 4.29 1.25 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 0.00 0.00 58 L 8.37 4.69 0.00 1.63 1.58 0.92 0.98 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 59 L 8.06 4.64 0.00 1.51 1.49 0.86 0.86 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 60 S 8.26 4.35 0.00 3.84 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 61 P 0.00 3.99 0.00 2.24 1.77 0.00 3.64 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 2.13 1.75 0.00 62 E 8.18 4.01 0.00 1.99 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 0.00 2.44 2.34 0.00 63 S 7.83 4.26 0.00 3.96 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 64 V 6.97 4.22 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 0.64 0.00 0.00 0.94 0.00 0.00 65 N 8.09 4.24 0.00 3.00 2.84 0.00 0.00 7.20 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 L 7.79 5.12 0.00 1.70 1.77 0.73 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 67 G 8.60 3.78 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 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.50 4.80 0.00 1.78 1.86 0.63 0.52 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 69 Q 8.78 4.51 0.00 1.79 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.64 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 70 A 8.77 4.98 1.14 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 71 F 8.84 5.04 0.00 2.87 2.97 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 72 I 8.93 4.89 2.10 0.00 0.00 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 1.55 1.00 1.10 0.00 0.00 73 R 9.33 4.89 0.00 1.84 1.93 0.00 3.11 0.00 0.00 3.11 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 74 V 9.20 4.76 2.21 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 0.61 0.00 0.00 1.13 0.00 0.00 75 S 9.23 5.15 0.00 3.76 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 76 I 8.89 4.35 2.06 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.71 1.01 0.00 0.00 77 R 8.65 3.94 0.00 1.76 1.87 0.00 3.54 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 78 K 8.27 4.26 0.00 1.73 1.79 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.50 7.81 79 A 7.23 4.83 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 80 K 8.40 4.14 0.00 1.90 1.84 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.48 7.81 81 D 9.00 4.57 0.00 2.95 3.04 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 82 A 7.77 4.05 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 83 R 8.01 4.03 0.00 1.98 2.19 0.00 3.22 0.00 0.00 3.47 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.84 0.00 84 E 8.20 3.96 0.00 2.08 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 0.00 2.42 2.48 0.00 85 D 8.70 4.37 0.00 2.84 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 86 F 8.42 3.84 0.00 3.03 3.08 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 87 A 8.12 3.56 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 88 A 7.70 3.78 1.25 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 0.00 0.00 89 S 7.46 3.72 0.00 3.24 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 90 V 6.42 2.50 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 -0.14 0.00 0.00 91 R 7.15 3.85 0.00 1.79 1.84 0.00 3.10 0.00 0.00 3.12 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.65 0.00 92 K 7.24 4.59 0.00 1.66 1.81 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.48 7.81 93 W 7.37 5.01 0.00 3.51 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 94 P 0.00 4.35 0.00 2.02 2.11 0.00 3.78 0.00 0.00 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 95 E 8.06 3.69 0.00 1.24 1.75 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 1.71 1.47 0.00 96 V 7.45 4.38 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 1.19 0.00 0.00 97 L 8.90 4.48 0.00 1.57 1.75 1.09 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 98 S 7.79 4.58 0.00 3.61 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 99 C 7.67 5.04 0.00 2.88 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 9.44 5.15 0.00 3.06 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 0.00 101 A 8.92 4.71 1.09 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 0.00 0.00 102 L 8.30 4.88 0.00 1.69 1.56 0.96 0.92 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 0.00 103 T 8.60 4.17 4.22 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 1.19 0.00 0.00 104 G 7.53 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 0.00 105 E 8.78 3.97 0.00 1.93 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 2.29 2.33 0.00 106 T 7.71 4.24 4.26 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 1.32 0.00 0.00 107 D 8.95 4.44 0.00 2.91 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 1.31 0.00 0.00 116 D 8.26 4.49 0.00 2.77 2.23 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 0.00 *118 N 9.59 4.52 0.00 2.98 2.89 0.00 0.00 6.71 8.01 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 0.00 119 A 8.41 4.06 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 0.00 120 F 8.22 2.94 0.00 2.68 2.87 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 0.00 121 S 7.95 3.92 0.00 3.90 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 0.00 122 H 7.98 4.21 0.00 3.41 3.30 0.00 5.69 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 F 7.95 3.99 0.00 3.22 2.90 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 0.00 124 V 7.19 3.05 1.66 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 0.91 0.00 0.00 -0.07 0.00 0.00 125 L 7.51 3.85 0.00 1.69 1.64 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 126 D 7.85 4.54 0.00 2.69 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 T 7.11 4.14 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 0.14 0.00 0.00 128 L 6.98 3.49 0.00 0.76 1.36 1.19 1.01 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 0.00 129 L 7.93 4.07 0.00 1.61 1.66 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 130 S 7.23 4.29 0.00 4.15 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 0.00 131 H 8.02 4.36 0.00 3.64 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 H 8.88 4.15 0.00 3.30 3.41 0.00 5.57 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 0.00 133 G 8.01 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 0.00 134 V 7.86 4.35 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.83 0.00 0.00 135 Q 8.98 4.22 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.47 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 136 D 7.63 4.69 0.00 2.78 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 A 8.47 5.42 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 0.00 138 Q 9.16 4.70 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 139 S 8.74 5.23 0.00 3.61 3.31 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 0.00 140 S 8.43 4.61 0.00 3.80 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 0.00 141 F 8.38 5.31 0.00 2.84 2.87 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 0.00 142 V 8.50 3.89 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 0.84 0.00 0.00 1.13 0.00 0.00 143 L 8.73 4.35 0.00 1.70 1.72 0.94 0.89 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 0.00 144 K 7.50 4.38 0.00 1.69 1.66 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.44 7.81 145 E 8.83 4.24 0.00 2.04 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 2.36 2.40 0.00 146 I 8.49 4.10 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 1.32 0.96 0.92 0.00 0.00 147 K 7.60 4.55 0.00 1.68 1.65 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.45 7.81 148 H 8.43 4.58 0.00 3.16 3.37 0.00 5.74 0.00 0.00 0.00 0.00 6.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 T 8.16 4.63 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 0.00 150 T 8.18 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 0.00 151 S 7.88 4.41 0.00 3.90 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 0.00 152 L 8.77 4.33 0.00 1.63 1.61 0.93 1.37 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 0.00 153 P 0.00 4.51 0.00 2.21 2.06 0.00 3.71 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 1.99 1.98 0.00 154 L 8.26 4.72 0.00 1.65 1.61 0.91 0.72 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 0.00 155 N 8.14 4.46 0.00 2.80 2.87 0.00 0.00 6.86 8.16 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 0.00 156 H 8.18 4.28 0.00 3.27 3.43 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 7.75 4.06 0.00 1.74 1.69 0.86 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 158 L 7.38 4.22 0.00 1.71 1.62 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.