NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 Q 4.2928 8.3449 121.7124 55.6640 30.4562 174.7569 5 T 4.1040 8.4092 121.9144 63.0772 70.0405 171.3340 6 K 5.1862 10.7800 128.5606 54.8194 35.8146 174.5157 7 I 5.1141 8.8362 127.6637 59.4205 41.0145 174.0657 8 L 4.7513 8.0565 127.2837 53.1541 44.6184 174.9497 9 I 4.8153 8.3310 126.4145 59.7171 40.0809 174.6283 10 I 4.6450 8.7890 129.5540 60.0649 38.5808 174.1728 11 D 4.8494 8.9160 126.2298 53.0081 44.4336 176.4861 12 G 3.5524 8.8083 113.4482 47.8604 0.0000 173.7262 13 D 4.3379 9.0394 119.9270 54.0771 41.4925 176.8040 14 K 4.0413 8.3583 127.8382 58.9045 32.1011 179.1387 15 D 4.2921 8.0896 119.3483 57.1322 40.7967 177.9314 16 N 4.2209 8.7192 117.7687 57.0168 38.9770 176.4045 17 C 3.9552 8.0234 118.1132 63.0986 28.2490 176.2651 18 Q 3.9436 8.3059 121.1925 58.9066 28.6761 178.2379 19 K 3.9404 8.2869 120.2433 59.9872 32.7717 178.6287 20 L 3.8830 8.4393 122.4639 57.5513 41.8462 178.7677 21 K 3.9709 8.3465 119.6111 59.5000 32.3534 178.6889 22 G 3.7798 8.1917 105.8964 47.9716 0.0000 175.1802 23 F 4.2072 8.1800 121.8750 61.1319 39.8042 177.0455 24 L 3.6941 7.8165 117.9379 57.1082 41.3257 178.9875 25 E 4.6389 8.3944 121.4518 58.5218 29.3365 177.9980 26 E 4.0566 7.6636 117.4818 57.6529 29.7789 177.5789 27 K 4.1877 7.3088 116.8391 56.1810 32.4289 177.1441 28 G 3.9557 7.8463 107.9518 44.8334 0.0000 173.6768 29 I 4.2493 7.3245 121.0545 60.3334 39.1552 174.7535 30 S 4.7243 8.8120 122.1058 57.8366 63.5598 172.6479 31 I 5.1279 8.4112 127.4641 59.7148 39.6414 174.6055 32 D 5.0349 8.9359 126.3900 52.7578 43.6453 175.4481 33 L 5.0452 7.7843 119.8786 53.0678 45.6606 175.5722 34 A 4.1244 7.6795 115.0455 52.0735 22.6915 176.9228 35 Y 5.4005 8.7243 119.5215 57.7496 38.7864 175.4108 36 N 4.6181 7.6488 116.6130 50.9651 40.9374 174.4742 37 C 3.8077 8.7164 118.2166 63.2664 28.0032 175.7982 38 E 3.8317 8.5773 120.2069 59.8880 29.0775 179.1384 39 E 3.9101 8.1911 117.3199 59.1401 29.4312 179.2435 40 A 3.8852 8.1229 121.1986 55.3100 18.4512 179.7107 41 I 3.3803 8.1443 118.8342 64.1249 37.0116 178.9851 42 G 3.5486 7.6640 106.6913 47.8797 0.0000 175.8439 43 K 4.0546 7.7344 121.8241 59.1900 31.8181 179.5613 44 I 3.9226 7.6474 119.2743 64.4616 37.0982 178.2618 45 F 4.7650 8.2400 117.8624 60.0986 38.8277 177.1590 46 S 4.6353 8.0508 112.9807 58.4567 63.3806 173.3909 47 N 4.8968 7.6987 117.2141 51.4474 42.6470 173.4216 48 K 4.3986 7.9940 118.3915 54.8064 34.2442 175.6865 49 Y 5.0298 8.1843 120.1249 56.4223 40.9665 175.1411 50 D 4.7488 9.1962 121.6190 56.2177 42.2481 176.8513 51 L 4.6998 7.6690 118.1605 53.8271 45.8802 174.1094 52 I 4.8775 8.5414 125.2807 59.5398 40.8217 174.2363 53 F 4.9162 9.1303 126.2911 55.9221 41.1252 174.7428 54 L 4.9537 8.7320 125.2513 53.2267 45.0072 175.3952 55 E 4.4294 8.6617 127.4235 55.8674 30.4247 176.6424 56 I 3.6998 8.3251 124.2540 63.4482 37.6493 176.2302 57 I 4.5835 7.3243 120.6025 59.4347 38.4167 175.1390 58 L 4.8866 8.1234 124.1257 52.4027 45.1490 177.9133 59 S 4.2441 8.7980 115.9397 60.7393 62.8943 174.6217 60 D 4.8550 9.0629 119.2157 50.7244 40.0347 175.6255 61 G 4.0012 6.5644 108.6637 45.6475 0.0000 171.4064 62 D 5.3616 7.7252 119.0856 51.3230 43.2715 177.1624 63 G 3.6087 8.9260 107.3169 47.0707 0.0000 176.3745 64 W 4.5795 7.7850 121.0788 60.1912 29.2612 178.5517 65 T 3.9921 8.8908 116.1237 66.7073 67.9027 176.6403 66 L 3.9779 7.8886 121.9531 58.2266 41.9858 178.3661 67 C 4.0442 8.2861 118.7410 62.3413 31.3540 175.3255 68 K 3.9011 7.8225 118.8133 59.7433 32.0998 178.7859 69 K 4.1231 8.2160 119.3900 59.6104 32.1457 178.8736 70 I 3.7305 8.1141 120.4414 64.4749 36.7705 178.5659 71 R 5.0183 8.1142 119.7831 58.3633 29.6199 178.3758 72 N 4.4641 8.0704 115.2774 54.8795 38.5909 175.7064 73 V 4.3280 7.1080 118.7535 63.7475 33.9809 175.4521 74 T 4.7000 8.5424 112.8916 60.9066 70.3478 173.5038 75 T 4.3376 8.3521 115.9833 61.3723 69.2127 174.0248 76 C 4.0686 8.1347 122.8065 59.7084 32.1493 171.8764 77 P 4.6322 0.0000 0.0000 63.6171 32.3649 175.0028 78 I 4.7518 9.2613 124.3533 59.3607 40.7353 174.5847 79 V 4.7574 8.7891 127.0757 61.3558 34.2100 175.1774 80 Y 5.0010 8.4739 126.9654 57.3736 40.2230 174.5437 *82 T 4.4084 8.2906 112.8622 62.9284 68.3712 175.2165 83 Y 4.0664 8.7598 122.9564 59.8079 38.4409 175.9581 84 I 3.9807 8.1484 121.4573 61.5299 36.7896 175.5296 85 N 5.0355 8.6213 125.4543 51.2184 38.7144 173.0381 86 E 4.7604 7.8516 120.2632 52.9952 35.1322 175.1190 87 D 4.3026 8.7279 122.6102 57.9377 40.8819 179.4881 88 Q 3.9094 7.9461 117.7939 58.8367 28.7185 178.5304 89 S 4.2013 7.9678 113.8172 61.3484 62.4715 176.1962 90 I 3.1112 7.4154 122.2210 64.1908 36.8638 178.3317 91 L 3.8685 7.8295 119.8305 57.6813 41.4328 179.3073 92 N 4.0619 7.8466 116.4059 56.4422 38.7465 176.7121 93 A 4.0472 8.0452 122.2371 55.4021 18.1637 179.6811 94 L 4.3198 7.8384 117.5985 57.5009 41.4526 179.1693 95 N 4.5930 8.2190 115.8983 55.5127 38.3538 176.7551 96 S 4.6368 7.7519 114.4553 58.6278 63.0096 174.4734 97 G 4.1795 7.5865 109.1372 45.2548 0.0000 174.7067 98 G 4.1359 8.3080 109.5116 45.5161 0.0000 174.2486 99 D 4.6442 8.8508 121.3026 55.5547 42.2465 176.1430 100 D 5.0126 7.9430 115.6078 52.8026 45.8351 173.4236 101 Y 4.8361 8.5513 121.8073 56.4795 40.9364 173.7327 102 L 4.8772 9.0967 127.5775 53.3455 43.8383 176.2730 103 I 4.6791 8.2171 122.6799 59.8685 38.8326 175.7393 104 K 4.2855 8.0766 125.9430 54.6262 33.1127 175.1699 105 P 4.1008 0.0000 0.0000 62.0983 31.8776 176.3537 106 L 3.8194 8.3158 122.6411 55.6488 42.1696 177.8688 107 N 4.5877 8.3810 121.4655 51.6889 37.6885 174.8928 108 L 3.8099 8.0418 126.4278 57.4830 41.8603 178.8276 109 E 4.0622 8.0245 117.7554 59.7148 29.6986 179.2884 110 I 3.8483 8.4882 120.0148 63.8918 37.0156 178.2927 111 L 4.0521 8.1047 121.5751 58.5657 42.0306 178.5066 112 Y 4.4324 8.4418 119.0570 60.4566 38.5770 178.0504 113 A 3.8700 7.9479 121.5881 54.8995 18.5068 179.6683 114 K 3.8712 8.1381 117.0114 59.5951 32.1699 179.4523 115 V 3.5952 8.1798 118.8532 66.2743 31.3062 178.2820 116 K 3.8269 7.8987 117.6945 59.2462 31.8403 179.2453 117 A 3.9608 8.2405 121.4583 55.1881 18.0443 179.8335 118 I 3.6803 7.9439 117.8220 64.5187 37.2680 178.4102 119 L 4.1249 7.7076 118.8494 57.4318 41.6373 179.0056 120 R 4.0671 8.2417 119.1842 59.4918 29.7397 179.7641 121 R 3.9693 7.5367 114.1761 57.1009 30.1968 176.7887 *123 N 4.7651 8.0583 115.3976 52.5419 40.5187 174.7102 124 S 4.3815 8.6952 118.1339 58.6037 63.0230 173.9329 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 4 Q 8.34 4.29 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.88 0.00 0.00 0.00 0.00 0.00 2.26 2.49 0.00 5 T 8.41 4.10 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 6 K 10.78 5.19 0.00 1.77 1.72 0.00 1.54 0.00 0.00 1.62 0.00 0.00 2.78 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.61 1.48 7.81 7 I 8.84 5.11 1.97 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.80 1.18 0.00 0.00 8 L 8.06 4.75 0.00 0.27 0.63 0.71 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.33 4.82 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.12 0.88 0.00 0.00 10 I 8.79 4.65 1.78 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.65 0.85 0.00 0.00 11 D 8.92 4.85 0.00 2.70 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 G 8.81 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 13 D 9.04 4.34 0.00 2.68 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 14 K 8.36 4.04 0.00 1.67 1.65 0.00 1.39 0.00 0.00 1.13 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.60 1.20 7.81 15 D 8.09 4.29 0.00 2.83 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 16 N 8.72 4.22 0.00 2.95 2.93 0.00 0.00 7.23 8.25 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 17 C 8.02 3.96 0.00 3.29 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 18 Q 8.31 3.94 0.00 2.38 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 19 K 8.29 3.94 0.00 1.96 2.02 0.00 1.29 0.00 0.00 1.47 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.59 1.41 7.81 20 L 8.44 3.88 0.00 1.91 1.61 0.56 0.13 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 21 K 8.35 3.97 0.00 2.00 1.96 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.27 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.70 1.46 7.81 22 G 8.19 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 23 F 8.18 4.21 0.00 2.91 3.14 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 24 L 7.82 3.69 0.00 1.72 1.65 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 25 E 8.39 4.64 0.00 2.22 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 2.29 2.30 0.00 26 E 7.66 4.06 0.00 2.12 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 0.00 2.26 2.45 0.00 27 K 7.31 4.19 0.00 1.57 1.47 0.00 0.84 0.00 0.00 1.18 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.61 0.21 7.81 28 G 7.85 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 0.00 0.00 0.00 29 I 7.32 4.25 2.03 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.06 1.01 0.00 0.00 30 S 8.81 4.72 0.00 4.18 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 31 I 8.41 5.13 1.87 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.06 0.90 0.00 0.00 32 D 8.94 5.03 0.00 2.66 2.57 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 0.00 33 L 7.78 5.05 0.00 1.28 1.37 1.01 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 34 A 7.68 4.12 1.11 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 0.00 0.00 35 Y 8.72 5.40 0.00 3.11 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.65 4.62 0.00 3.40 2.90 0.00 0.00 6.20 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 37 C 8.72 3.81 0.00 3.12 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 38 E 8.58 3.83 0.00 2.18 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 2.38 0.00 39 E 8.19 3.91 0.00 2.17 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 40 A 8.12 3.89 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 41 I 8.14 3.38 1.58 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.72 -0.01 0.00 0.00 42 G 7.66 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 43 K 7.73 4.05 0.00 1.94 2.08 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.09 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.73 7.81 44 I 7.65 3.92 1.83 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 1.78 0.66 0.94 0.00 0.00 45 F 8.24 4.77 0.00 3.18 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 46 S 8.05 4.64 0.00 3.89 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 47 N 7.70 4.90 0.00 2.01 2.14 0.00 0.00 6.81 6.90 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 48 K 7.99 4.40 0.00 1.58 1.61 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.33 7.81 49 Y 8.18 5.03 0.00 2.94 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 50 D 9.20 4.75 0.00 2.54 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.67 4.70 0.00 1.69 1.43 0.72 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.54 4.88 1.73 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 0.99 0.80 0.74 0.00 0.00 53 F 9.13 4.92 0.00 2.96 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 54 L 8.73 4.95 0.00 1.40 0.97 0.77 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.66 4.43 0.00 1.98 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 2.33 2.43 0.00 56 I 8.33 3.70 1.71 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.74 0.21 0.00 0.00 57 I 7.32 4.58 1.82 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.41 0.87 0.00 0.00 58 L 8.12 4.89 0.00 1.86 1.48 0.82 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 59 S 8.80 4.24 0.00 3.97 4.01 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 60 D 9.06 4.85 0.00 2.75 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 61 G 6.56 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.73 5.36 0.00 2.51 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 63 G 8.93 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 W 7.79 4.58 0.00 3.82 3.16 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 0.00 65 T 8.89 3.99 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 1.27 0.00 0.00 66 L 7.89 3.98 0.00 1.88 1.63 0.87 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 67 C 8.29 4.04 0.00 3.39 3.29 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 68 K 7.82 3.90 0.00 2.03 1.95 0.00 1.84 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.80 7.81 69 K 8.22 4.12 0.00 1.99 1.92 0.00 1.64 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.51 7.81 70 I 8.11 3.73 1.99 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 1.46 0.54 0.90 0.00 0.00 71 R 8.11 5.02 0.00 2.08 2.02 0.00 3.32 0.00 0.00 3.52 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.72 0.00 72 N 8.07 4.46 0.00 3.03 2.95 0.00 0.00 6.70 7.09 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 73 V 7.11 4.33 2.27 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 0.93 0.00 0.00 1.20 0.00 0.00 74 T 8.54 4.70 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 1.32 0.00 0.00 75 T 8.35 4.34 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 1.23 0.00 0.00 76 C 8.13 4.07 0.00 3.08 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 77 P 0.00 4.63 0.00 2.04 1.93 0.00 3.84 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.12 0.00 78 I 9.26 4.75 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.01 0.58 0.00 0.00 79 V 8.79 4.76 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 1.09 0.00 0.00 0.67 0.00 0.00 80 Y 8.47 5.00 0.00 2.60 2.44 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.29 4.41 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 0.91 0.00 0.00 83 Y 8.76 4.07 0.00 3.01 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 84 I 8.15 3.98 2.06 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 1.28 0.56 1.08 0.00 0.00 85 N 8.62 5.04 0.00 2.74 2.77 0.00 0.00 7.00 7.65 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 86 E 7.85 4.76 0.00 1.98 1.77 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 2.37 2.38 0.00 87 D 8.73 4.30 0.00 2.63 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.95 3.91 0.00 2.01 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.41 2.31 0.00 89 S 7.97 4.20 0.00 4.14 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 90 I 7.42 3.11 1.54 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.09 0.52 0.00 0.00 91 L 7.83 3.87 0.00 1.58 1.64 0.85 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 92 N 7.85 4.06 0.00 2.53 2.40 0.00 0.00 7.04 9.28 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 93 A 8.05 4.05 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.84 4.32 0.00 1.60 1.77 0.90 1.38 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 95 N 8.22 4.59 0.00 2.91 2.85 0.00 0.00 7.01 7.54 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 96 S 7.75 4.64 0.00 4.25 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 97 G 7.59 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 0.00 0.00 0.00 98 G 8.31 4.14 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 0.00 99 D 8.85 4.64 0.00 2.72 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 0.00 100 D 7.94 5.01 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 0.00 101 Y 8.55 4.84 0.00 2.99 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 9.10 4.88 0.00 1.56 1.61 1.14 0.96 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 0.00 103 I 8.22 4.68 1.92 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.54 0.91 0.00 0.00 104 K 8.08 4.29 0.00 0.79 0.74 0.00 1.43 0.00 0.00 1.47 0.00 0.00 2.89 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.15 1.12 7.81 105 P 0.00 4.10 0.00 2.14 2.09 0.00 3.80 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 106 L 8.32 3.82 0.00 1.53 1.58 0.78 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 107 N 8.38 4.59 0.00 2.72 2.70 0.00 0.00 7.17 6.66 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 0.00 108 L 8.04 3.81 0.00 1.06 0.52 0.31 0.72 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 0.00 109 E 8.02 4.06 0.00 2.16 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 2.35 2.35 0.00 110 I 8.49 3.85 1.91 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 1.44 1.20 0.95 0.00 0.00 111 L 8.10 4.05 0.00 1.91 1.93 0.79 0.76 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 0.00 112 Y 8.44 4.43 0.00 3.50 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 0.00 113 A 7.95 3.87 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 0.00 114 K 8.14 3.87 0.00 2.09 1.91 0.00 1.87 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.66 7.81 115 V 8.18 3.60 2.27 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 1.10 0.00 0.00 1.29 0.00 0.00 116 K 7.90 3.83 0.00 1.75 1.66 0.00 1.52 0.00 0.00 1.14 0.00 0.00 2.62 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.92 0.59 7.81 117 A 8.24 3.96 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 0.00 118 I 7.94 3.68 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.73 0.88 0.00 0.00 119 L 7.71 4.12 0.00 1.61 1.72 0.94 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 0.00 120 R 8.24 4.07 0.00 1.93 2.14 0.00 3.09 0.00 0.00 3.07 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 121 R 7.54 3.97 0.00 1.93 2.07 0.00 3.34 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 *123 N 8.06 4.77 0.00 2.84 2.90 0.00 0.00 7.06 7.57 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 0.00 124 S 8.70 4.38 0.00 3.85 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 * Residues marked with a * may have inaccurate shift predictions.