NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.3689 8.1733 120.1319 56.6789 34.4125 174.2379 6 K 4.5819 8.5306 121.2664 54.0806 35.2055 174.2855 7 G 4.0086 8.9498 111.2849 45.6278 0.0000 171.9838 8 Y 5.4061 8.3032 117.4786 56.0090 42.2506 174.4608 9 L 5.1715 8.8058 122.5722 54.6993 44.9621 174.3473 10 R 5.0551 9.2592 120.0376 54.7013 33.0892 174.0382 11 I 4.5333 8.6683 128.1795 60.5219 38.8018 174.9816 12 V 4.8245 9.3826 128.8286 60.8447 32.9597 174.8825 13 T 5.3739 8.4401 118.0831 59.6944 71.3066 174.5816 14 T 4.2940 8.7352 111.7798 62.6624 68.9846 174.3817 15 Q 4.6235 8.4299 121.6544 55.4812 29.9322 175.0957 16 G 4.0643 8.5379 103.4958 45.1562 0.0000 172.3782 17 S 5.4098 8.3459 113.7648 56.5784 66.8133 173.2998 18 L 4.9093 8.6946 121.0624 53.1108 45.5505 175.4114 19 N 5.1881 9.0183 121.6175 52.5331 40.3016 174.0684 20 I 4.7310 8.9225 124.9809 59.3842 40.4157 174.0446 21 E 4.4459 8.9302 128.2799 54.5683 31.5679 174.3361 22 L 4.6499 8.0819 127.6830 53.1849 43.5278 176.9853 23 H 4.9917 8.4512 123.7049 55.5106 25.5401 176.3416 24 A 4.2707 7.9235 122.2181 54.7092 18.8124 178.6574 25 D 4.4491 7.6450 116.1898 56.1143 39.6208 177.7180 26 M 4.5481 7.9999 117.3137 54.8477 35.1816 175.7770 27 A 4.8650 8.4450 121.4363 49.4809 19.4240 174.8291 28 P 4.6420 0.0000 0.0000 65.9378 31.7729 178.9192 29 R 3.8532 8.3787 117.6682 58.6646 29.9113 178.7987 30 A 3.6794 8.4113 120.7043 55.2342 18.3678 179.5401 31 C 4.1959 8.0526 115.1420 62.9432 28.2533 175.6416 32 D 3.9144 8.2153 119.9593 57.2827 40.6931 177.9009 33 S 3.0586 7.3182 113.4810 61.1839 62.1600 175.9208 34 F 4.0065 8.0812 122.8840 61.4310 39.1553 177.0144 35 L 4.1395 8.5956 118.8360 58.0348 40.6960 179.8073 36 R 3.8835 8.2680 118.3591 59.1395 29.9134 179.1444 37 L 4.0183 7.7228 118.8971 57.6443 41.4761 179.2150 38 C 4.2580 8.1729 116.6527 62.7428 27.8455 175.8924 39 A 4.0944 7.9502 121.3983 54.2454 17.8821 178.5300 40 V 4.1524 6.8282 108.7613 60.7287 32.2340 176.1382 41 K 3.9743 8.3157 118.1514 57.4091 30.2705 176.9712 42 Y 3.9336 7.9097 123.4164 60.6465 38.7632 178.2261 43 F 4.5711 8.0480 116.4740 58.3392 40.1042 175.2706 44 D 4.7038 7.9415 122.0258 56.1418 41.1354 177.0817 45 D 4.6770 9.8700 123.3600 54.7046 39.5660 173.9877 46 T 4.5090 7.8871 110.6893 61.4765 70.6496 173.5862 47 I 4.8739 8.1168 115.4620 59.3169 41.5946 174.3512 48 F 4.7025 8.6791 122.0225 56.5477 38.6307 175.8473 49 H 4.6312 8.5759 120.0672 55.6490 29.6963 174.9647 50 R 4.9939 7.4348 120.9395 54.8016 33.2201 173.2469 51 C 5.1924 9.3774 127.1947 58.1781 34.7862 173.1339 52 I 4.6842 8.9506 127.4573 59.1502 39.9656 175.4612 53 R 4.0103 8.9572 127.5212 58.0270 30.3350 175.6838 54 N 4.5066 9.6404 120.2711 53.8731 37.2346 174.2436 55 F 5.4038 8.5258 118.0488 58.4889 41.4391 174.6744 56 M 4.4420 8.2172 111.6417 54.2829 35.3533 174.2013 57 I 4.9078 7.9855 119.7555 59.1766 41.1014 173.7930 58 Q 4.9671 9.3746 129.6568 54.6489 32.1890 174.9254 59 G 3.2199 8.0336 113.6863 44.9591 0.0000 173.7718 60 G 4.0820 7.5299 108.7864 45.6751 0.0000 173.5189 61 R 4.1834 7.6716 120.4525 54.8144 30.2343 176.6794 62 A 3.7509 8.5344 129.7098 55.2704 18.5079 179.2911 63 E 4.1065 8.1342 113.7064 58.6864 29.6062 177.6613 64 L 4.5081 7.3844 116.5068 53.9911 42.1424 176.3175 65 R 3.9865 7.6718 120.7142 56.9712 30.4754 176.2906 66 Q 4.5697 8.9774 126.8867 53.3503 29.0848 173.6404 67 P 4.3510 0.0000 0.0000 62.7032 32.4314 175.7643 *74 Q 4.1002 8.3341 117.8821 55.8582 29.7473 175.0159 75 Q 4.6473 8.2213 120.1095 53.5618 31.7782 175.4550 76 S 4.2196 8.5730 116.7694 57.8708 62.9060 172.4386 77 P 4.3868 0.0000 0.0000 64.1715 31.8986 176.3109 78 R 4.7096 7.5564 117.3463 54.4390 31.7454 176.0702 79 S 4.8937 8.9346 117.2713 58.1196 63.3735 174.0845 80 I 4.7732 7.9789 117.0885 58.8825 40.4605 174.7740 81 S 4.6941 7.8174 116.5309 57.2099 63.8186 174.4204 82 G 3.3852 8.0514 108.6525 46.2624 0.0000 174.4501 83 F 4.5185 6.9586 119.1204 55.9592 39.7473 173.2403 84 P 4.4262 0.0000 0.0000 64.2640 30.1836 176.5811 85 G 3.9176 8.9400 111.7004 44.1544 0.0000 174.9102 86 G 3.7745 8.6478 106.8360 45.8460 0.0000 173.4902 87 A 4.4710 7.3228 121.9604 50.6305 18.9893 176.4732 88 P 5.3555 0.0000 0.0000 62.7041 31.8300 175.3668 89 F 5.1282 7.9465 115.5555 54.7942 41.5022 174.2104 90 E 4.2917 8.7906 118.5870 56.0474 30.0912 177.0207 91 D 4.3226 8.7806 121.8637 54.4191 41.4855 176.2433 92 E 4.2782 8.5226 121.3517 54.7761 32.0950 175.3640 93 F 5.3040 8.1892 122.1589 55.9066 41.8982 174.8914 94 D 4.7601 8.3275 121.4606 53.0415 43.9400 175.6914 95 N 4.5984 8.8219 123.0210 54.4800 37.7869 175.9961 96 R 4.0597 8.2192 117.7462 57.4007 30.5312 176.1233 97 L 4.5768 7.8509 118.4271 52.9651 42.5079 176.1100 98 V 4.5423 7.9033 115.9409 59.7698 36.0929 175.9717 99 H 4.5824 9.0427 119.7750 55.1921 27.4154 175.1211 100 Q 4.6440 7.6751 119.8696 55.1341 31.2473 176.3780 101 G 3.8738 9.0903 115.3602 44.6901 0.0000 172.3780 102 I 4.2009 8.1323 118.1326 61.4582 39.0048 176.5519 103 G 3.8401 9.0775 114.6040 45.0088 0.0000 172.9114 104 V 3.8762 7.6272 121.0248 62.4561 32.7528 174.5020 105 L 4.6950 8.3285 130.8019 53.7979 43.4237 175.1649 106 S 5.0579 8.3363 120.1408 56.7452 66.5900 172.3432 107 M 5.0451 9.4332 123.9337 54.9329 32.5319 176.3142 108 A 4.9097 9.1596 125.9615 51.8944 20.1697 176.1691 109 N 4.9272 8.4866 115.9351 52.5345 40.1228 173.5035 110 D 4.8404 8.5191 116.7431 54.6941 41.6301 174.8904 111 G 3.7869 7.9553 104.4765 43.3489 0.0000 174.4057 112 K 4.0673 8.4702 118.0707 58.4560 32.9068 176.1932 113 H 4.2405 8.6044 116.6668 57.6098 26.7873 175.0916 114 S 4.6852 7.6195 107.3843 57.8468 63.9607 173.7345 115 N 4.2511 7.5970 119.4092 54.0178 38.7312 173.5743 116 L 4.6956 8.5041 121.6996 54.5602 44.0760 177.3887 117 S 4.8228 8.6190 119.8204 58.2642 65.7580 174.9729 118 E 4.7129 8.3653 122.0674 56.2616 30.4712 175.8524 119 F 5.9220 8.6375 118.5672 55.2527 42.2692 173.3238 120 F 5.5306 9.6027 113.4023 55.3223 41.7948 173.4573 121 I 4.9811 8.8588 121.2057 59.5986 40.0209 175.3992 122 T 4.4111 8.5952 117.7432 61.9410 69.5934 175.2025 123 F 4.9136 8.7758 121.8056 58.6621 40.4972 175.5615 124 K 4.6794 7.9739 117.1447 54.9149 35.2085 175.4032 125 S 4.6436 8.7483 120.0725 58.5615 63.4571 175.2389 126 C 4.8884 8.7796 118.0140 57.4716 29.7037 174.8584 127 E 4.4750 8.0851 118.6656 58.5033 29.8641 178.8929 128 H 4.4122 8.0794 114.2888 57.3604 28.9615 175.9846 129 L 4.3288 7.7739 119.9413 55.1375 42.0642 176.3761 130 N 4.5010 7.6741 117.1888 55.0075 38.7592 174.4614 131 N 3.1400 8.6987 118.1579 53.4094 35.9466 174.9338 132 K 4.5147 7.8285 118.1258 56.3775 34.5850 176.3467 133 H 5.1089 8.0985 114.3700 53.9315 32.3077 172.8905 134 T 4.4005 8.7888 120.6534 63.6681 69.4433 173.5714 135 I 4.5878 8.6568 128.7012 60.6034 37.8852 175.6591 136 F 4.9867 8.6677 120.5972 56.0623 39.9666 174.2668 137 G 4.0699 7.2461 106.0672 46.4471 0.0000 172.1655 138 R 5.0387 8.1037 114.7739 54.5983 33.2627 174.6227 139 V 4.1535 8.4018 121.7941 62.9502 31.6248 176.0877 140 V 4.2384 8.4504 121.1406 60.8999 32.5013 176.2223 141 G 3.7626 7.8987 105.3341 46.4061 0.0000 174.5622 142 G 4.0597 8.6107 111.8598 45.7149 0.0000 175.4972 143 L 3.9147 7.9276 122.2161 57.5320 41.5246 178.7006 144 D 4.3876 7.8998 118.0379 56.5212 40.7926 178.8170 145 V 3.3052 7.3395 118.8652 65.6748 31.5973 177.4733 146 L 3.4751 7.2456 119.6797 58.2417 41.6579 179.2625 147 R 3.8386 7.6398 116.8322 58.9921 30.2212 178.8104 148 Q 4.1308 7.8330 118.0213 58.8811 28.7803 178.7690 149 W 4.4218 8.3385 120.0878 59.8434 28.8534 178.0784 150 E 3.3422 7.9137 118.2555 58.2303 28.8756 178.0087 151 K 4.3434 7.5531 115.9244 55.0665 32.8653 176.5574 152 L 4.1109 7.2647 120.7062 54.8590 42.2779 176.8199 153 E 4.2337 8.9612 125.2278 56.5045 30.6784 175.5477 154 T 5.2020 8.4792 116.2453 59.9921 72.5444 173.4477 155 D 4.7901 8.7608 121.9803 52.3177 41.7080 176.8271 156 K 4.2102 8.5303 116.7929 58.5350 32.4016 177.6924 157 K 4.3651 8.7447 118.9239 55.6904 32.1267 176.7670 158 D 4.5317 7.9787 116.7487 54.9434 39.2184 172.8272 159 K 5.0759 7.5720 120.2168 54.0262 32.8659 174.6735 160 P 4.7847 0.0000 0.0000 62.7739 31.9218 176.5169 161 L 4.1199 8.7378 122.5451 57.0616 41.6472 177.7221 162 K 4.4550 7.5326 118.0801 53.4026 32.0310 172.7565 163 P 4.3141 0.0000 0.0000 61.2188 32.3453 174.8815 164 P 4.2657 0.0000 0.0000 62.7343 32.4325 174.9159 165 K 5.0381 8.9198 125.6548 54.2950 35.0914 175.1753 166 V 4.2049 9.0261 128.0936 63.6097 31.8278 176.2054 167 E 4.4250 9.7835 129.2586 58.8663 30.5194 176.4835 168 E 5.0904 7.9039 114.8439 55.6110 33.4038 173.4566 169 I 5.0826 8.3675 120.6274 59.7609 40.2003 175.0184 170 I 4.3871 8.8794 129.0415 59.7994 38.7769 174.9612 171 V 4.1811 8.3793 127.9013 61.9709 31.8980 175.0950 172 F 4.5291 9.5678 132.7907 60.2430 38.8956 174.8645 173 K 4.4716 7.8491 118.0270 54.5009 36.2619 175.6055 174 N 4.6812 8.6233 121.2908 52.0192 38.9342 173.9568 175 P 4.3035 0.0000 0.0000 64.5082 31.6065 176.8407 176 F 4.6431 8.3369 117.0027 57.7030 39.4192 175.6493 177 E 4.3296 7.8757 126.1968 56.4690 29.9123 175.5555 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 K 8.17 4.37 0.00 1.78 1.96 0.00 1.23 0.00 0.00 1.68 0.00 0.00 2.55 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.31 1.50 7.81 6 K 8.53 4.58 0.00 1.45 1.17 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.31 1.45 7.81 7 G 8.95 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 0.00 0.00 0.00 8 Y 8.30 5.41 0.00 2.91 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 9 L 8.81 5.17 0.00 2.02 1.84 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 10 R 9.26 5.06 0.00 1.87 1.84 0.00 3.10 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 11 I 8.67 4.53 2.04 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 1.23 0.52 1.22 0.00 0.00 12 V 9.38 4.82 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 1.33 0.00 0.00 1.00 0.00 0.00 13 T 8.44 5.37 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 14 T 8.74 4.29 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 1.35 0.00 0.00 15 Q 8.43 4.62 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.56 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 16 G 8.54 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 17 S 8.35 5.41 0.00 3.77 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 18 L 8.69 4.91 0.00 1.51 1.40 0.86 0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.02 5.19 0.00 2.67 2.72 0.00 0.00 6.53 6.95 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 20 I 8.92 4.73 1.74 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.01 0.57 0.00 0.00 21 E 8.93 4.45 0.00 2.08 1.67 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 1.94 1.79 0.00 22 L 8.08 4.65 0.00 1.46 1.53 0.97 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 23 H 8.45 4.99 0.00 3.11 3.35 0.00 5.62 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.92 4.27 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 25 D 7.65 4.45 0.00 2.92 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 26 M 8.00 4.55 0.00 2.01 2.15 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 2.51 2.70 0.00 27 A 8.44 4.87 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 28 P 0.00 4.64 0.00 2.40 2.68 0.00 3.89 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 2.23 2.13 0.00 29 R 8.38 3.85 0.00 2.06 1.85 0.00 3.11 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 30 A 8.41 3.68 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 31 C 8.05 4.20 0.00 3.47 3.25 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 32 D 8.22 3.91 0.00 1.88 2.46 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 33 S 7.32 3.06 0.00 2.72 3.39 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 34 F 8.08 4.01 0.00 3.24 3.22 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 35 L 8.60 4.14 0.00 1.95 1.80 1.24 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.27 3.88 0.00 1.63 1.85 0.00 2.79 0.00 0.00 3.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.77 0.00 37 L 7.72 4.02 0.00 1.53 0.95 0.14 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.17 4.26 0.00 3.22 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 39 A 7.95 4.09 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 6.83 4.15 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 0.71 0.00 0.00 0.97 0.00 0.00 41 K 8.32 3.97 0.00 2.00 2.06 0.00 1.70 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.38 7.81 42 Y 7.91 3.93 0.00 2.81 2.61 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 43 F 8.05 4.57 0.00 3.19 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 44 D 7.94 4.70 0.00 2.94 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 45 D 9.87 4.68 0.00 2.79 2.91 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 46 T 7.89 4.51 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 1.15 0.00 0.00 47 I 8.12 4.87 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 1.46 0.90 0.90 0.00 0.00 48 F 8.68 4.70 0.00 2.65 2.91 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 49 H 8.58 4.63 0.00 3.22 3.49 0.00 5.21 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 50 R 7.43 4.99 0.00 1.80 1.60 0.00 3.16 0.00 0.00 3.47 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 51 C 9.38 5.19 0.00 3.01 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 52 I 8.95 4.68 2.21 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.04 1.13 0.00 0.00 53 R 8.96 4.01 0.00 1.78 1.89 0.00 3.36 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 54 N 9.64 4.51 0.00 2.99 3.01 0.00 0.00 6.66 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 55 F 8.53 5.40 0.00 3.06 2.98 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 56 M 8.22 4.44 0.00 1.68 1.98 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.08 0.00 57 I 7.99 4.91 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 1.33 1.94 0.99 0.00 0.00 58 Q 9.37 4.97 0.00 1.94 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.23 0.00 0.00 0.00 0.00 0.00 2.05 2.33 0.00 59 G 8.03 3.22 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 0.00 60 G 7.53 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 0.00 0.00 0.00 0.00 61 R 7.67 4.18 0.00 1.97 1.74 0.00 3.41 0.00 0.00 3.12 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 62 A 8.53 3.75 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 63 E 8.13 4.11 0.00 1.90 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 2.29 2.52 0.00 64 L 7.38 4.51 0.00 1.56 1.60 0.67 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 65 R 7.67 3.99 0.00 1.82 1.74 0.00 3.10 0.00 0.00 3.30 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 66 Q 8.98 4.57 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 67 P 0.00 4.35 0.00 2.05 2.05 0.00 3.81 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 1.97 1.98 0.00 *74 Q 8.33 4.10 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 75 Q 8.22 4.65 0.00 1.90 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.92 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 76 S 8.57 4.22 0.00 3.88 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 77 P 0.00 4.39 0.00 2.19 2.12 0.00 3.80 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 78 R 7.56 4.71 0.00 1.83 1.90 0.00 3.21 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.63 0.00 79 S 8.93 4.89 0.00 3.93 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 80 I 7.98 4.77 1.81 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 1.73 0.54 0.96 0.00 0.00 81 S 7.82 4.69 0.00 4.25 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 0.00 82 G 8.05 3.39 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 0.00 83 F 6.96 4.52 0.00 3.14 2.85 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 84 P 0.00 4.43 0.00 2.05 2.01 0.00 3.74 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 85 G 8.94 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 0.00 0.00 0.00 86 G 8.65 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 0.00 0.00 0.00 87 A 7.32 4.47 1.32 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 88 P 0.00 5.36 0.00 2.22 2.03 0.00 3.35 0.00 0.00 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.82 0.00 89 F 7.95 5.13 0.00 3.16 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 90 E 8.79 4.29 0.00 1.87 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 1.97 2.27 0.00 91 D 8.78 4.32 0.00 2.27 1.68 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 92 E 8.52 4.28 0.00 1.87 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.41 0.00 93 F 8.19 5.30 0.00 3.08 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 94 D 8.33 4.76 0.00 2.68 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 N 8.82 4.60 0.00 2.87 2.96 0.00 0.00 6.22 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 96 R 8.22 4.06 0.00 2.00 2.01 0.00 3.12 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 97 L 7.85 4.58 0.00 1.76 1.58 0.94 0.75 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 98 V 7.90 4.54 2.29 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 0.76 0.00 0.00 0.94 0.00 0.00 99 H 9.04 4.58 0.00 3.43 3.39 0.00 5.77 0.00 0.00 0.00 0.00 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 Q 7.68 4.64 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.80 0.00 0.00 0.00 0.00 0.00 2.27 2.56 0.00 101 G 9.09 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 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2.66 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 0.00 111 G 7.96 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 0.00 0.00 0.00 112 K 8.47 4.07 0.00 1.63 1.80 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.45 7.81 113 H 8.60 4.24 0.00 3.25 3.31 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 S 7.62 4.69 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 0.00 115 N 7.60 4.25 0.00 1.44 1.71 0.00 0.00 6.85 6.46 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 0.00 116 L 8.50 4.70 0.00 1.70 1.35 0.99 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 117 S 8.62 4.82 0.00 4.07 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 0.00 118 E 8.37 4.71 0.00 2.06 1.98 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.09 4.47 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 128 H 8.08 4.41 0.00 3.26 3.42 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 L 7.77 4.33 0.00 1.52 1.69 0.89 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 130 N 7.67 4.50 0.00 2.79 2.76 0.00 0.00 6.99 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 0.00 131 N 8.70 3.14 0.00 2.58 2.37 0.00 0.00 6.87 7.61 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 0.00 132 K 7.83 4.51 0.00 1.93 1.79 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.28 1.51 7.81 133 H 8.10 5.11 0.00 3.43 3.68 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 T 8.79 4.40 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 1.41 0.00 0.00 135 I 8.66 4.59 1.90 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 1.16 0.43 0.89 0.00 0.00 136 F 8.67 4.99 0.00 3.15 3.18 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 0.00 137 G 7.25 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 0.00 0.00 0.00 138 R 8.10 5.04 0.00 1.85 1.91 0.00 2.74 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 139 V 8.40 4.15 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 0.74 0.00 0.00 0.81 0.00 0.00 140 V 8.45 4.24 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 0.72 0.00 0.00 1.04 0.00 0.00 141 G 7.90 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 0.00 0.00 0.00 142 G 8.61 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 0.00 143 L 7.93 3.91 0.00 1.68 1.67 0.86 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 144 D 7.90 4.39 0.00 2.61 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 0.00 145 V 7.34 3.31 1.85 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 0.38 0.00 0.00 0.83 0.00 0.00 146 L 7.25 3.48 0.00 1.80 1.73 0.71 0.77 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 0.00 147 R 7.64 3.84 0.00 1.91 1.90 0.00 3.37 0.00 0.00 3.18 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 148 Q 7.83 4.13 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.54 0.00 149 W 8.34 4.42 0.00 3.61 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 0.00 150 E 7.91 3.34 0.00 1.16 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 0.00 1.94 1.47 0.00 151 K 7.55 4.34 0.00 1.93 1.81 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.37 7.81 152 L 7.26 4.11 0.00 1.79 1.65 0.98 0.73 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 0.00 153 E 8.96 4.23 0.00 2.06 1.83 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 2.38 2.32 0.00 154 T 8.48 5.20 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 1.37 0.00 0.00 155 D 8.76 4.79 0.00 2.89 2.89 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 0.00 156 K 8.53 4.21 0.00 1.76 1.91 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.53 7.81 157 K 8.74 4.37 0.00 1.93 1.82 0.00 1.84 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.40 1.55 7.81 158 D 7.98 4.53 0.00 2.92 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 0.00 159 K 7.57 5.08 0.00 1.95 2.03 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.55 7.81 160 P 0.00 4.78 0.00 2.13 1.96 0.00 3.81 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.13 0.00 161 L 8.74 4.12 0.00 1.63 1.73 0.98 1.10 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 0.00 162 K 7.53 4.46 0.00 1.70 1.72 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.32 1.41 7.81 163 P 0.00 4.31 0.00 2.03 2.18 0.00 3.67 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 2.02 2.27 0.00 164 P 0.00 4.27 0.00 1.30 1.40 0.00 3.25 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.31 0.00 165 K 8.92 5.04 0.00 1.81 1.66 0.00 1.77 0.00 0.00 1.58 0.00 0.00 2.80 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.50 7.81 166 V 9.03 4.20 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 1.05 0.00 0.00 1.20 0.00 0.00 167 E 9.78 4.42 0.00 2.14 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 2.37 2.33 0.00 168 E 7.90 5.09 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.26 0.00 169 I 8.37 5.08 2.00 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 1.47 0.82 1.05 0.00 0.00 170 I 8.88 4.39 1.95 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.71 0.99 0.00 0.00 171 V 8.38 4.18 2.16 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 0.84 0.00 0.00 1.04 0.00 0.00 172 F 9.57 4.53 0.00 3.06 3.30 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 0.00 173 K 7.85 4.47 0.00 1.74 1.55 0.00 1.46 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.83 0.27 7.81 174 N 8.62 4.68 0.00 2.78 2.83 0.00 0.00 6.87 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 0.00 175 P 0.00 4.30 0.00 1.71 1.95 0.00 3.81 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.70 0.00 176 F 8.34 4.64 0.00 3.19 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 0.00 177 E 7.88 4.33 0.00 1.89 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 2.30 2.48 0.00 * Residues marked with a * may have inaccurate shift predictions.