NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 S 4.4263 8.1927 115.3189 57.8523 63.6568 173.3875 6 L 3.0680 8.3720 129.9309 58.0596 41.4508 177.4536 7 Q 4.0226 8.1957 117.7302 59.5623 29.1371 178.8007 8 E 4.1373 7.6191 118.3039 61.0546 30.0779 180.4921 9 F 4.7170 9.1330 123.3691 60.4567 39.3729 175.6667 10 L 4.0775 7.5574 118.9846 55.7065 42.4061 176.2781 11 K 4.4066 8.7065 120.2850 55.3532 30.0468 178.8491 12 T 4.0016 7.2469 112.0338 63.6764 69.0419 174.0997 13 E 3.6761 7.4290 120.2234 56.6420 27.1142 173.0793 14 P 4.2884 0.0000 0.0000 62.5192 32.9653 177.5197 15 D 4.5260 8.3426 121.5427 54.5247 42.9834 175.9633 16 G 4.1883 8.9623 105.1290 45.8272 0.0000 173.5584 17 T 3.9522 8.1424 114.8085 63.1487 70.3399 176.1993 18 L 4.0912 8.3177 124.2749 57.7659 41.7847 179.5644 19 E 4.0712 8.2734 118.6544 59.3627 29.3987 179.6161 20 V 3.6982 7.7644 118.7410 64.6719 31.7729 178.2494 21 V 4.0515 8.0513 119.7543 65.2503 31.2637 177.9441 22 A 4.2067 8.7218 123.1718 55.7547 18.2921 180.1152 23 E 3.9879 8.3013 116.9788 61.2328 29.6046 181.8266 24 Q 4.1264 8.6045 119.3278 58.9937 28.5325 177.7583 25 Y 4.2073 7.7335 114.6192 56.8418 39.2936 175.8784 26 N 4.0602 7.7267 115.9623 54.4788 37.5891 171.8294 27 T 4.5155 8.3035 113.1957 60.5281 70.9248 173.0499 28 T 4.5108 8.1580 110.9139 60.6683 71.8357 175.0989 29 L 4.0378 8.0846 121.9791 58.1685 42.0358 179.0514 30 L 3.3060 7.8664 120.0566 57.7876 41.9723 178.5749 31 E 3.8676 8.1832 118.6431 59.1939 29.1305 179.4241 32 V 3.5204 7.2537 117.4566 66.0697 31.9151 177.9292 33 V 3.7353 7.7808 117.8800 66.0569 31.1264 178.0101 34 R 3.8726 8.0117 117.1912 59.3455 30.0519 178.1067 35 N 4.5442 7.6718 112.5736 53.1021 39.0412 175.4284 36 L 4.1759 6.9800 123.0449 53.8854 43.0012 175.0058 37 P 4.3471 0.0000 0.0000 65.9591 31.1000 177.5682 38 S 4.6218 7.8238 111.9294 57.1802 63.4840 174.4451 39 S 4.4764 7.9536 115.8573 59.2843 63.3731 173.8773 40 T 4.5287 8.8594 119.5549 61.9733 70.8836 173.3270 41 V 4.7454 8.4258 120.1824 59.7140 33.5450 175.7232 42 V 4.6624 8.6317 118.6511 58.2922 35.7692 173.6479 43 P 4.6287 0.0000 0.0000 62.3280 32.0540 177.6729 44 G 4.4480 9.1583 109.6661 48.1354 0.0000 174.7868 45 D 4.7173 8.0667 116.1848 54.2666 39.5154 177.2369 46 K 4.3511 8.1495 119.5332 56.5516 32.2066 177.8049 47 F 4.0399 8.2410 122.8921 62.0211 39.2564 176.9968 48 D 4.4273 8.3706 117.5159 57.5645 40.6826 178.9795 49 T 3.8794 7.8635 116.0334 66.4519 68.6115 176.8885 50 V 3.4215 7.9050 121.2568 64.6272 31.3551 177.7708 51 W 3.5947 8.1171 129.9521 60.1412 30.2509 177.4819 52 D 4.4985 8.0853 117.6406 57.7587 40.5521 179.0144 53 T 4.0409 7.6916 116.1897 66.6152 68.5017 177.0687 54 V 2.0000 7.0834 119.8673 65.1335 31.1506 177.3182 55 C 4.1535 7.3827 114.9048 61.2899 27.9308 174.3904 56 E 4.5845 7.8411 119.5919 56.1640 30.0439 177.1888 57 W 4.3709 7.9011 118.0941 57.4138 29.5904 177.7785 58 G 3.8707 7.7424 106.5723 44.2480 0.0000 171.8114 59 N 4.6983 8.7221 116.7321 54.2416 39.7719 174.9369 60 V 4.5731 9.2131 116.0462 60.2736 37.4760 174.0942 61 T 5.1420 9.0825 117.9093 62.6442 70.8109 173.7807 62 T 5.2937 9.1870 124.7397 62.1056 70.8814 174.1381 63 L 5.2915 9.3396 124.8946 54.9499 44.8850 174.4626 64 V 4.7988 8.7078 112.8025 59.8454 34.8943 174.5748 65 H 4.9689 9.1544 124.7515 54.8065 30.0690 172.4619 66 T 4.7446 8.7823 118.9819 59.5816 71.1793 174.7756 67 A 4.2183 8.6107 122.7878 54.4888 18.5441 178.0079 68 D 4.9218 7.5143 114.2953 54.6776 43.2613 176.7030 69 V 4.4824 7.7866 110.7442 59.7839 35.7464 174.2975 70 I 4.9012 8.0951 121.6396 59.7834 39.2204 174.6461 71 L 4.7656 8.4823 126.1209 52.7376 43.6170 175.7982 72 E 5.1446 8.3451 120.9873 54.4057 32.9032 175.0752 73 F 4.6857 9.6394 120.6314 55.8365 42.2785 173.9481 74 S 5.1335 9.1222 119.5604 57.5091 63.5000 173.3843 75 G 4.0720 8.4755 114.3351 45.8083 0.0000 170.5614 76 E 4.7602 8.5591 119.1282 55.5411 30.2432 177.2241 77 L 4.0153 8.3403 126.0067 53.9896 42.6238 175.0497 78 P 4.5446 0.0000 0.0000 62.5397 32.3081 176.0359 79 S 4.9286 8.5678 114.8890 58.6076 65.0664 172.4993 80 G 3.8859 8.3756 106.7669 44.9169 0.0000 171.5238 81 F 5.0622 7.5280 113.5623 55.2168 41.3101 174.0908 82 H 4.9183 9.2299 121.1075 56.2251 29.8383 175.8426 83 R 4.3802 9.2683 118.3493 57.4862 33.5672 173.9350 84 H 4.0900 9.7489 117.9522 56.5088 26.1381 176.0609 85 G 3.8201 8.6010 104.9474 45.8307 0.0000 173.2520 86 Y 4.7381 7.8149 116.6071 55.8308 42.5730 174.3395 87 F 4.7013 9.1165 123.9499 56.8036 41.1060 174.0512 88 N 4.8103 7.7275 124.8946 51.6906 39.8743 174.8632 89 L 4.4510 8.1027 124.5302 53.1173 42.9198 177.3909 90 R 4.6495 7.9751 117.0311 55.0163 29.0972 176.5768 91 G 4.1301 7.7032 108.5059 46.6596 0.0000 172.9432 92 K 4.7452 8.5825 125.1140 54.9227 33.3222 176.3414 *93 H 4.9600 8.5976 113.9557 55.9057 29.5333 176.7780 94 G 4.3243 8.6000 113.0509 47.2253 0.0000 174.5516 95 M 4.0940 8.0524 120.4520 53.9258 33.1899 175.1350 96 S 4.5723 8.2687 119.8291 57.2913 65.4969 170.9303 97 G 3.5496 7.4322 104.7217 44.9146 0.0000 171.5963 98 H 5.0105 8.2220 117.2681 54.2557 32.7129 172.5535 99 I 4.3780 8.7631 125.6999 59.4539 39.3631 176.4293 100 K 3.9278 8.3561 128.7062 54.7422 30.6921 177.0969 101 A 3.8060 7.4004 124.7106 54.6384 18.7681 179.8683 102 E 3.9470 7.7163 113.9933 58.8171 29.7690 177.5126 103 N 4.4227 8.3955 115.5897 53.9432 39.2268 174.2626 104 C 4.8336 7.7868 120.3508 59.2267 31.2543 173.4582 105 T 4.1914 8.8903 119.3607 63.9143 70.1437 174.5672 106 H 5.4824 8.2321 116.8603 54.0561 33.7757 172.5440 107 I 5.1449 9.0415 120.9742 59.5558 41.0002 174.4218 108 A 5.2311 9.2068 127.2795 50.1384 22.7610 174.6902 109 L 5.2128 8.8639 121.8174 52.9796 44.0778 175.8541 110 I 5.1194 9.2165 117.2398 59.2254 41.6819 174.1175 111 E 5.1528 8.6514 123.3253 55.1715 32.5578 174.1826 112 R 4.6261 8.9371 122.6737 55.6767 33.2591 172.9021 113 K 5.0820 8.6080 117.9403 54.9074 34.3324 175.9515 114 F 5.0553 9.5381 127.0181 57.9566 41.9581 174.7427 115 M 3.3888 10.6600 129.4840 56.5187 29.9187 177.9763 116 G 3.9336 8.6761 105.7275 46.4761 0.0000 174.0796 117 M 4.9067 8.0891 119.9760 52.8584 35.2514 179.4552 118 D 5.0524 8.7580 122.6643 54.1424 41.8293 175.9327 119 T 4.8687 9.6023 113.2257 59.7716 72.6828 172.6178 120 A 5.0236 8.5041 124.8088 50.1539 21.9773 175.0602 121 S 4.8729 9.1706 116.6767 56.6691 67.3984 172.8705 122 I 4.9077 8.7743 121.4187 59.5157 39.7743 174.6549 123 L 4.9992 8.7366 127.0294 52.7976 44.8168 175.3401 124 F 4.9685 8.9251 122.0356 55.9080 41.1986 174.8114 125 F 5.4682 9.7458 123.3752 56.0885 41.7305 175.6215 126 N 5.5596 8.9433 122.2169 51.3155 39.5588 176.5506 127 K 4.0045 8.7801 119.3378 57.8547 31.7057 174.4313 128 E 4.1215 8.1738 116.0139 57.5090 29.5289 177.6102 129 G 3.9095 8.6831 108.1645 45.8364 0.0000 173.0821 130 S 5.0032 7.8982 112.9452 55.7223 65.4354 172.9997 131 A 4.2760 8.4430 125.2822 52.2870 18.6617 177.6107 132 M 4.3693 9.3932 125.0850 58.3093 32.8016 176.5128 133 L 4.7262 7.6713 117.7922 54.1812 46.0872 174.0345 134 K 5.3780 9.2959 120.7220 54.8536 37.2199 175.5847 135 I 5.1145 8.8085 123.1164 59.8072 40.7118 174.3397 136 F 5.0754 9.5906 126.4218 55.4407 41.1469 175.6902 137 L 4.4399 8.6709 123.6553 54.7022 42.4653 177.4196 138 G 3.9368 8.8036 109.4553 46.4624 0.0000 172.3346 139 R 4.9785 8.2066 118.5037 53.9868 32.1954 176.2220 140 D 4.6150 9.5749 121.3323 53.3935 42.1856 175.3675 141 D 4.5944 8.4865 119.9944 57.3975 42.6560 177.0067 142 H 4.5908 8.7681 115.6164 56.7628 26.7305 176.5520 143 R 4.6644 6.5352 122.3551 56.2206 31.2874 176.1906 144 Q 4.6095 7.7327 116.3240 55.1274 30.4427 175.1661 145 L 4.0006 8.2730 119.8778 54.7443 42.2712 177.5786 146 L 3.9434 8.3670 123.3215 55.1710 42.4706 178.5264 147 S 4.0422 8.7381 120.1357 61.7463 62.9721 176.4203 148 E 3.9385 8.0276 121.3583 58.8736 29.1929 179.1555 149 Q 3.3949 7.6294 117.9078 58.5774 28.9310 178.3358 150 V 3.4744 7.7761 119.3724 65.7941 31.4223 178.3627 151 S 4.0398 7.9866 114.7401 61.6300 62.7482 176.4914 152 A 4.0365 7.4349 122.8711 54.7708 17.8778 179.3746 153 F 4.0762 7.9313 119.6304 61.9817 39.5082 177.1664 154 H 4.1198 8.4268 115.8689 58.9716 28.3859 177.8425 155 T 3.8556 8.3641 118.0143 66.6738 68.3278 176.2839 156 L 3.9446 8.6338 122.1217 58.1997 41.9374 178.8716 157 A 3.8702 7.7799 119.3757 54.7511 18.2239 179.3536 158 A 3.9999 7.6941 118.7365 55.4372 18.6271 179.3448 159 S 4.2270 7.9699 112.5732 61.8366 63.1301 174.9995 160 L 4.1416 7.6440 123.8890 55.1378 41.3464 177.0818 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 5 S 8.19 4.43 0.00 3.91 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 6 L 8.37 3.07 0.00 1.21 1.36 0.86 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.20 4.02 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.84 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 8 E 7.62 4.14 0.00 2.04 1.86 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 2.26 2.19 0.00 9 F 9.13 4.72 0.00 3.27 3.41 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 10 L 7.56 4.08 0.00 1.61 1.53 0.97 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 11 K 8.71 4.41 0.00 1.79 2.16 0.00 1.78 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.29 0.98 7.81 12 T 7.25 4.00 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 1.14 0.00 0.00 13 E 7.43 3.68 0.00 2.18 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 2.21 2.33 0.00 14 P 0.00 4.29 0.00 1.95 1.30 0.00 3.53 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.12 0.00 15 D 8.34 4.53 0.00 2.70 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 16 G 8.96 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 T 8.14 3.95 4.39 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 1.43 0.00 0.00 18 L 8.32 4.09 0.00 1.70 1.75 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 19 E 8.27 4.07 0.00 2.08 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 0.00 2.31 2.45 0.00 20 V 7.76 3.70 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 1.01 0.00 0.00 0.98 0.00 0.00 21 V 8.05 4.05 2.39 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 1.62 0.00 0.00 1.26 0.00 0.00 22 A 8.72 4.21 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 23 E 8.30 3.99 0.00 2.01 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 2.24 2.22 0.00 24 Q 8.60 4.13 0.00 2.03 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.00 0.00 0.00 0.00 0.00 0.00 2.28 2.58 0.00 25 Y 7.73 4.21 0.00 3.10 2.94 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 26 N 7.73 4.06 0.00 2.78 2.84 0.00 0.00 6.76 7.42 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 27 T 8.30 4.52 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 1.34 0.00 0.00 28 T 8.16 4.51 4.43 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 1.22 0.00 0.00 29 L 8.08 4.04 0.00 1.96 2.12 1.03 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 30 L 7.87 3.31 0.00 1.16 1.31 0.57 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.18 3.87 0.00 2.13 1.92 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 2.25 2.42 0.00 32 V 7.25 3.52 2.32 0.00 0.00 0.00 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 1.06 0.00 0.00 33 V 7.78 3.74 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 1.02 0.00 0.00 1.19 0.00 0.00 34 R 8.01 3.87 0.00 1.83 1.91 0.00 3.20 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 35 N 7.67 4.54 0.00 2.73 2.79 0.00 0.00 7.02 8.76 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 36 L 6.98 4.18 0.00 1.66 1.62 0.89 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.35 0.00 2.20 2.15 0.00 3.77 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 38 S 7.82 4.62 0.00 3.91 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 39 S 7.95 4.48 0.00 3.88 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 T 8.86 4.53 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 41 V 8.43 4.75 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.89 0.00 0.00 42 V 8.63 4.66 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.95 0.00 0.00 43 P 0.00 4.63 0.00 2.33 2.17 0.00 3.72 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 2.17 1.96 0.00 44 G 9.16 4.45 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 0.00 45 D 8.07 4.72 0.00 2.81 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.15 4.35 0.00 1.94 1.87 0.00 1.72 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.57 7.81 47 F 8.24 4.04 0.00 3.28 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 48 D 8.37 4.43 0.00 2.82 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 49 T 7.86 3.88 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 50 V 7.91 3.42 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 0.84 0.00 0.00 0.74 0.00 0.00 51 W 8.12 3.59 0.00 2.77 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 52 D 8.09 4.50 0.00 2.81 2.78 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 53 T 7.69 4.04 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 1.27 0.00 0.00 54 V 7.08 2.00 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 0.56 0.00 0.00 0.02 0.00 0.00 55 C 7.38 4.15 0.00 3.11 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 56 E 7.84 4.58 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 57 W 7.90 4.37 0.00 3.46 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.74 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 0.00 0.00 0.00 59 N 8.72 4.70 0.00 2.70 2.82 0.00 0.00 6.61 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 V 9.21 4.57 2.35 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 0.89 0.00 0.00 0.99 0.00 0.00 61 T 9.08 5.14 4.39 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 1.25 0.00 0.00 62 T 9.19 5.29 4.43 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 1.41 0.00 0.00 63 L 9.34 5.29 0.00 1.97 1.86 0.92 1.12 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 64 V 8.71 4.80 2.19 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 0.97 0.00 0.00 1.07 0.00 0.00 65 H 9.15 4.97 0.00 3.18 3.26 0.00 5.71 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 66 T 8.78 4.74 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 1.28 0.00 0.00 67 A 8.61 4.22 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 68 D 7.51 4.92 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 69 V 7.79 4.48 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 0.71 0.00 0.00 0.97 0.00 0.00 70 I 8.10 4.90 1.79 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 1.22 0.20 0.86 0.00 0.00 71 L 8.48 4.77 0.00 1.73 1.56 1.03 0.37 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 72 E 8.35 5.14 0.00 1.86 1.82 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 2.00 2.14 0.00 73 F 9.64 4.69 0.00 3.04 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 74 S 9.12 5.13 0.00 3.88 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 75 G 8.48 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 E 8.56 4.76 0.00 1.89 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 2.35 2.18 0.00 77 L 8.34 4.02 0.00 1.26 1.23 0.52 -0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 4.54 0.00 2.30 2.09 0.00 3.92 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 2.16 2.16 0.00 79 S 8.57 4.93 0.00 4.08 4.18 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 80 G 8.38 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 F 7.53 5.06 0.00 3.07 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 9.23 4.92 0.00 3.11 3.30 0.00 5.97 0.00 0.00 0.00 0.00 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 9.27 4.38 0.00 1.68 1.74 0.00 3.42 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.28 0.00 84 H 9.75 4.09 0.00 3.42 3.48 0.00 5.74 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 85 G 8.60 3.82 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 0.00 0.00 0.00 86 Y 7.81 4.74 0.00 2.96 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 87 F 9.12 4.70 0.00 2.54 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 88 N 7.73 4.81 0.00 1.44 2.13 0.00 0.00 6.59 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.10 4.45 0.00 1.36 1.52 0.97 0.82 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 90 R 7.98 4.65 0.00 1.92 2.03 0.00 3.10 0.00 0.00 3.34 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 91 G 7.70 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.58 4.75 0.00 1.73 1.61 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.24 0.97 7.81 *93 H 8.60 4.96 0.00 2.85 2.87 0.00 7.15 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 94 G 8.60 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.05 4.09 0.00 2.00 1.71 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.27 0.00 96 S 8.27 4.57 0.00 3.74 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 97 G 7.43 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 H 8.22 5.01 0.00 2.88 3.02 0.00 5.87 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 I 8.76 4.38 1.72 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 1.08 0.67 0.79 0.00 0.00 100 K 8.36 3.93 0.00 1.72 1.59 0.00 0.62 0.00 0.00 1.07 0.00 0.00 2.34 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.33 1.31 7.81 101 A 7.40 3.81 0.05 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 0.00 0.00 102 E 7.72 3.95 0.00 1.78 1.90 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 2.18 2.16 0.00 103 N 8.40 4.42 0.00 2.82 2.83 0.00 0.00 6.48 7.56 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 0.00 104 C 7.79 4.83 0.00 3.11 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 0.00 105 T 8.89 4.19 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 106 H 8.23 5.48 0.00 3.17 3.19 0.00 5.75 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 0.00 107 I 9.04 5.14 1.82 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 0.96 0.96 0.54 0.00 0.00 108 A 9.21 5.23 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 0.00 109 L 8.86 5.21 0.00 1.43 1.19 0.78 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 110 I 9.22 5.12 1.92 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 1.12 1.35 0.97 0.00 0.00 111 E 8.65 5.15 0.00 2.12 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 2.23 2.29 0.00 112 R 8.94 4.63 0.00 1.86 2.00 0.00 2.73 0.00 0.00 3.12 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 113 K 8.61 5.08 0.00 1.66 1.80 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.60 1.41 7.81 114 F 9.54 5.06 0.00 2.93 2.83 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 0.00 115 M 10.66 3.39 0.00 1.99 1.88 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 116 G 8.68 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 0.00 0.00 0.00 117 M 8.09 4.91 0.00 1.64 1.89 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.34 0.00 118 D 8.76 5.05 0.00 2.54 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 0.00 119 T 9.60 4.87 4.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 120 A 8.50 5.02 0.40 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 0.00 121 S 9.17 4.87 0.00 2.95 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 0.00 122 I 8.77 4.91 1.81 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 1.35 0.99 0.39 0.00 0.00 123 L 8.74 5.00 0.00 1.41 0.76 0.82 0.92 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 0.00 124 F 8.93 4.97 0.00 3.04 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 F 9.75 5.47 0.00 3.22 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 0.00 126 N 8.94 5.56 0.00 2.86 3.05 0.00 0.00 6.99 7.35 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 0.00 127 K 8.78 4.00 0.00 1.80 1.78 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.04 7.81 128 E 8.17 4.12 0.00 2.02 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 2.36 2.29 0.00 129 G 8.68 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 0.00 130 S 7.90 5.00 0.00 4.08 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 0.00 131 A 8.44 4.28 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 0.00 132 M 9.39 4.37 0.00 1.91 2.22 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.55 0.00 133 L 7.67 4.73 0.00 1.79 1.51 1.08 0.63 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 0.00 134 K 9.30 5.38 0.00 1.96 1.58 0.00 2.04 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.53 7.81 135 I 8.81 5.11 1.89 0.00 0.00 0.59 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 0.90 0.91 0.00 0.00 136 F 9.59 5.08 0.00 3.03 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 8.67 4.44 0.00 1.56 1.54 1.06 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 138 G 8.80 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 0.00 0.00 0.00 139 R 8.21 4.98 0.00 1.79 1.84 0.00 3.50 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 140 D 9.57 4.61 0.00 2.67 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 0.00 141 D 8.49 4.59 0.00 2.70 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 0.00 142 H 8.77 4.59 0.00 3.39 2.64 0.00 5.89 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 R 6.54 4.66 0.00 1.81 1.72 0.00 3.25 0.00 0.00 3.27 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.41 0.00 144 Q 7.73 4.61 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.05 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 145 L 8.27 4.00 0.00 1.59 1.57 0.86 1.01 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 0.00 146 L 8.37 3.94 0.00 1.67 1.74 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.74 4.04 0.00 4.00 4.09 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 0.00 148 E 8.03 3.94 0.00 1.99 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 2.37 2.42 0.00 149 Q 7.63 3.39 0.00 2.10 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.89 0.00 0.00 0.00 0.00 0.00 2.28 2.31 0.00 150 V 7.78 3.47 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 1.01 0.00 0.00 0.81 0.00 0.00 151 S 7.99 4.04 0.00 3.97 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 0.00 152 A 7.43 4.04 0.72 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 0.00 153 F 7.93 4.08 0.00 2.68 2.94 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 0.00 154 H 8.43 4.12 0.00 3.36 3.32 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 T 8.36 3.86 4.41 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 1.23 0.00 0.00 156 L 8.63 3.94 0.00 1.92 2.04 0.91 1.36 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 0.00 157 A 7.78 3.87 1.05 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 0.00 0.00 158 A 7.69 4.00 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 0.00 159 S 7.97 4.23 0.00 3.99 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 0.00 160 L 7.64 4.14 0.00 1.60 1.56 0.85 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.