NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 R 4.3741 8.2544 121.1394 56.6501 30.4222 174.6159 5 Y 4.6263 8.2201 121.1019 55.0448 41.8134 171.3118 6 E 5.2095 10.1936 127.8669 54.4496 33.5065 173.9629 7 I 4.9376 8.7915 126.5891 59.5032 41.2257 174.4055 8 R 4.8182 8.4467 125.1281 54.3236 33.4536 174.8635 9 F 4.9681 9.2361 123.5341 56.0603 40.2964 174.8696 10 S 4.9945 9.4873 119.3877 55.7632 66.0168 174.6195 11 G 4.2507 7.5903 106.8160 46.7237 0.0000 171.4033 12 A 4.7756 9.0372 126.2635 50.0205 20.5854 177.0939 13 G 3.9283 8.5563 110.7411 47.6628 0.0000 173.9172 14 G 3.9778 9.0462 111.3187 45.2548 0.0000 173.9454 15 Q 4.2010 7.8200 117.3272 55.6876 29.2892 175.9764 16 G 3.8186 8.0350 106.3680 46.8486 0.0000 176.1253 17 L 3.9455 8.0080 121.9738 57.3291 41.5078 179.0712 18 I 3.6085 7.5696 119.2840 64.2875 37.1449 177.7478 19 L 3.8538 7.9407 120.4190 58.3607 41.5654 178.7706 20 A 3.8491 7.5775 119.3250 54.8947 18.2675 179.5442 21 G 3.5111 7.3790 103.3982 47.7927 0.0000 175.7833 22 V 3.8124 8.0330 121.1702 65.6235 31.4125 178.9693 23 I 3.5610 7.7826 116.7651 61.8995 36.9537 177.7099 *25 A 4.3284 7.9734 125.0109 52.3842 20.4933 179.8431 26 E 4.1030 8.3265 115.1106 59.1010 29.5278 179.2939 27 A 4.1532 8.4902 121.1707 55.3536 18.4694 179.6499 28 A 4.0773 8.1903 118.9822 54.2118 18.5926 178.9498 29 S 5.0510 7.6933 112.4037 59.8659 64.2048 176.8818 30 I 3.7033 7.8295 122.4223 62.7458 37.0729 176.5232 31 Y 4.4885 7.9298 115.8260 58.3954 39.6981 175.9918 32 D 4.6926 8.0898 116.4467 53.2681 41.2895 177.0962 33 G 3.8606 7.6230 105.8992 45.9944 0.0000 174.2006 34 K 4.4348 7.9449 120.1945 55.5956 34.6687 175.1652 35 Q 5.0042 8.5624 120.9899 55.1967 31.4196 174.5090 36 A 5.7555 8.1357 123.8250 51.6043 22.4721 175.6916 37 V 4.5145 8.3228 118.4309 61.1876 35.3876 173.8771 38 Q 5.2178 8.5672 127.4969 54.5705 31.9333 174.1691 39 S 4.8695 8.8035 118.5902 57.4837 66.7771 173.3768 40 Q 4.8925 8.6622 118.9030 54.4241 31.0742 174.5981 41 S 4.9028 8.4853 115.8423 56.6564 65.7201 172.8747 42 Y 4.6078 8.3922 118.3292 56.3117 41.0065 175.7832 43 G 4.1139 8.5006 113.0943 43.2041 0.0000 171.7019 44 P 4.2594 0.0000 0.0000 65.0432 31.2357 176.8832 45 E 4.3267 8.0475 116.8910 55.2097 29.0028 174.8501 46 A 4.5898 8.3649 126.1637 53.7184 21.3693 177.2878 47 R 4.0128 8.2304 114.5493 59.3141 30.4194 177.0437 48 G 3.9059 7.8845 105.9107 47.1651 0.0000 174.0099 49 G 3.9385 8.7704 111.7731 45.8179 0.0000 176.4211 50 A 4.7650 8.5511 128.7577 50.4283 22.1111 175.2407 51 S 4.7871 8.7651 109.5895 56.6958 66.2157 173.8075 52 K 4.8661 8.4526 126.0932 54.5588 34.7738 175.1898 53 S 5.0070 8.7103 120.8628 56.5420 66.6743 172.4501 54 E 5.2709 9.2933 121.2514 54.6384 33.5440 174.3828 55 V 5.0948 8.9599 123.7051 61.2860 35.5775 174.0677 56 I 5.1791 8.9905 127.5357 59.6035 40.8314 174.3382 57 I 5.1586 8.6908 127.2688 59.4941 40.3263 174.8398 58 S 5.1186 9.1636 123.5539 56.9387 66.0043 175.7436 59 D 4.5316 8.9920 119.3553 55.9002 39.7748 178.3112 60 G 4.0614 7.8222 101.8985 47.0616 0.0000 173.4634 *69 Q 4.0175 7.7338 119.3680 55.6395 29.6235 175.0281 70 C 4.3584 8.0545 115.2600 57.9242 31.4757 173.2911 71 D 4.6023 8.4963 117.6895 55.0107 42.3727 176.9368 72 A 5.6278 7.4183 118.4700 49.2584 23.1784 174.7895 73 L 4.9172 8.2221 121.7327 53.1631 45.8615 174.5071 74 L 5.0050 8.7394 128.5599 53.3460 44.2588 174.6926 75 A 5.2095 8.5074 127.5893 49.3231 20.7480 176.4513 76 L 4.1878 8.9726 123.5780 56.9553 42.7447 177.5216 77 T 4.6743 7.7127 107.5701 59.1090 71.9922 174.4864 78 Q 4.0561 8.4184 121.8029 58.6756 28.9244 177.9462 79 E 3.8916 8.1002 119.3245 59.4585 29.6646 178.7407 80 A 4.1462 7.7905 120.7855 55.5180 18.1614 179.2291 81 C 4.1048 8.1602 116.7880 62.3540 31.3299 175.4845 82 D 4.5157 7.7613 122.1389 57.3840 40.5448 179.2768 83 K 3.8836 7.9318 123.5934 59.5527 32.1544 180.5008 84 Y 4.7364 7.7884 116.2577 57.5373 38.4787 177.8591 85 S 3.9444 7.5078 116.8492 61.5184 62.7605 176.2648 86 A 4.0555 7.9489 122.8472 54.9331 18.1647 178.5011 87 D 4.3793 7.6712 115.1934 56.4173 41.6491 176.8796 88 L 4.0727 7.0704 120.7665 54.7396 42.6396 177.2922 89 K 4.5384 7.9961 124.2211 55.6501 33.1886 175.9271 90 E 3.8943 8.7333 122.4704 56.8455 30.4365 177.2127 91 G 3.9680 9.2105 115.1869 45.9458 0.0000 173.6191 92 G 3.8930 7.4987 107.5181 45.2279 0.0000 174.0360 93 V 4.1907 8.2065 122.5401 63.2409 32.7825 174.7143 94 L 5.1486 9.1077 128.9140 53.3413 45.9953 174.5390 95 L 5.1978 8.9517 127.3077 53.5719 45.3564 175.4271 96 V 5.0828 8.4643 118.4572 58.1134 36.4361 174.5998 97 D 4.6487 8.4579 123.0269 53.7907 41.7108 176.7816 98 S 4.2468 9.2701 122.1214 60.3728 63.2500 175.9619 99 D 4.4440 8.6540 120.9658 56.5572 41.4088 177.7834 100 L 4.2051 7.9666 116.8836 56.5141 42.2419 177.5603 101 V 4.2257 7.7407 120.0804 61.6923 29.6603 174.8483 102 T 4.3977 8.0542 112.7066 60.9781 69.2174 176.7397 103 K 4.3676 8.0713 124.0354 53.8536 33.7546 179.1559 104 L 4.5137 8.2062 125.1225 52.3991 42.7998 175.6549 105 P 4.5735 0.0000 0.0000 61.2457 32.1835 174.5530 106 P 4.4215 0.0000 0.0000 61.5835 31.9708 176.2333 107 G 3.5559 7.7490 115.5150 45.1859 0.0000 172.3307 108 N 4.4974 7.1208 120.9762 52.8129 36.7981 173.4744 109 Y 5.0691 7.0005 117.1112 56.5862 40.7689 177.6219 110 Q 4.2785 8.7464 122.5672 56.2107 29.3834 174.8774 111 T 5.1329 8.4663 120.8886 61.9592 71.1591 174.3000 112 T 4.7808 8.9628 121.9159 61.6970 72.0732 173.0213 113 A 5.5297 8.9422 127.1342 49.7356 22.1117 174.7834 114 F 5.1425 8.2913 116.8864 54.4746 41.8968 173.9960 115 N 4.8817 8.8953 115.3450 51.9507 34.1729 175.0974 116 I 3.4815 7.1546 129.5702 65.2030 37.7141 177.6262 117 I 3.7257 8.9305 121.3712 64.6799 37.0266 178.3981 118 N 4.3363 8.1733 116.5881 56.5889 38.3258 177.4061 119 T 4.1688 8.4693 117.5657 66.4229 68.4454 176.5053 120 A 3.9793 7.6786 122.5351 55.1791 18.3957 179.6857 121 K 3.9661 8.1656 116.9677 59.3124 32.3584 178.0595 122 N 4.6550 8.4480 115.6818 54.5147 39.1740 175.7857 123 D 4.6666 7.7757 118.2703 55.7755 42.1218 177.8488 124 V 3.8542 7.6341 117.0072 64.2659 32.0206 176.3421 125 G 4.0968 8.1955 106.7360 45.1219 0.0000 173.5983 126 R 4.5401 7.8632 118.3449 54.0354 32.2112 175.8969 127 E 4.0329 8.8263 125.1483 58.8275 29.8739 177.8781 128 I 4.1652 7.6751 109.7366 61.3634 38.0375 176.5375 129 V 4.3616 7.7711 121.0260 62.1774 31.3842 176.5681 130 A 4.0274 7.6899 122.1808 55.5440 18.1270 179.9555 131 N 4.2492 8.2031 114.7626 56.4152 37.0631 177.3524 132 I 3.9366 7.8003 121.9462 63.8895 37.2222 178.3521 133 V 4.1389 8.1292 119.8182 65.4328 31.1496 177.7107 134 A 3.9858 8.0928 119.3367 55.2097 18.3462 178.8524 135 L 4.3218 8.1004 118.0831 58.3951 42.2616 179.2281 136 G 3.1411 8.6111 105.7390 47.3100 0.0000 176.7738 137 A 4.2769 7.8178 121.9386 52.1316 18.3869 179.4411 *139 V 4.0228 7.8741 122.5960 64.5018 33.4785 177.5026 140 A 3.7131 7.7056 121.6839 54.9552 18.1307 178.7437 141 L 4.1089 7.5457 114.9900 57.9545 42.1857 178.6695 142 T 3.8407 8.0169 107.7533 63.8455 68.7402 175.3864 143 G 3.9375 7.6044 108.5475 46.0835 0.0000 175.0730 144 V 3.7070 7.7758 120.5189 62.6275 32.2723 176.3446 145 V 4.7034 7.3329 111.7562 58.4062 35.4143 175.9056 146 S 4.3997 9.0920 117.8228 58.0260 64.8793 175.5733 147 K 4.0128 8.4996 123.6817 59.8613 32.0676 178.7628 148 E 4.0729 8.1504 118.8477 59.0392 29.4782 178.5085 149 A 3.7854 7.7804 120.9118 54.9867 18.4426 179.5090 150 A 3.8406 7.7930 118.8417 55.2639 18.3453 179.6368 151 E 3.0527 8.1402 117.4336 59.1635 29.4377 179.9063 152 K 3.6517 7.7254 118.1870 59.2007 31.8425 179.3203 153 A 3.9216 7.3250 120.1745 54.8804 18.5199 179.5019 154 V 3.5831 7.6032 116.8273 66.2886 31.3836 178.3681 155 L 4.0021 7.2338 117.5212 57.6050 41.4871 179.2832 156 S 4.4139 7.7735 112.4841 60.0964 63.1833 175.0284 157 R 4.5682 7.6297 119.0150 55.6687 31.2840 175.3477 158 V 4.2710 7.4223 111.2103 58.6645 33.7949 173.8620 159 P 4.3345 0.0000 0.0000 62.7399 31.7293 177.0116 160 E 3.7671 9.2607 124.7542 59.4987 29.4694 178.3566 161 A 4.2284 7.9918 117.7044 53.3045 19.0475 177.9223 162 F 4.6426 8.8524 115.0167 56.6382 39.4557 177.3800 163 V 3.6555 7.6306 121.1284 65.3801 30.8155 178.1997 164 E 3.9355 8.1164 119.1747 58.6797 29.4078 178.9941 165 L 4.0240 8.0784 118.4140 58.2701 41.6119 179.3745 166 N 4.4137 8.4294 116.1248 56.1506 38.3886 177.4270 167 R 3.8884 8.3985 120.6741 59.3651 29.9611 178.5275 168 K 3.9679 8.1822 118.1678 59.3069 32.4795 178.3161 169 A 4.1984 8.2818 121.1731 55.1955 18.3443 179.2773 170 F 4.2723 8.5285 119.3595 61.4846 39.3302 177.5228 171 Q 4.3713 8.4139 116.0521 56.8602 28.5334 177.6945 *173 G 3.9481 8.0041 109.1637 45.1519 0.0000 175.5656 174 F 3.9253 8.1752 122.1371 60.8623 39.2679 177.0632 175 E 3.9970 8.5253 118.3517 59.5714 29.3911 179.5172 176 K 3.6364 7.8359 117.5892 59.0243 31.6895 179.1849 177 A 3.8501 7.3368 120.4266 55.2473 18.4319 179.5048 178 L 3.9154 7.1471 115.8639 57.5296 41.6639 179.2858 179 A 4.0604 7.7246 120.1138 54.6749 18.4574 177.7210 180 A 4.1826 8.0872 123.2190 52.5203 18.5995 177.1497 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 R 8.25 4.37 0.00 1.88 2.01 0.00 3.19 0.00 0.00 3.24 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 5 Y 8.22 4.63 0.00 3.12 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 6 E 10.19 5.21 0.00 1.94 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.22 0.00 7 I 8.79 4.94 1.87 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 1.46 0.90 0.32 0.00 0.00 8 R 8.45 4.82 0.00 1.54 1.57 0.00 3.19 0.00 0.00 3.04 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.45 0.00 9 F 9.24 4.97 0.00 2.85 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 10 S 9.49 4.99 0.00 3.53 3.43 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 11 G 7.59 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 0.00 0.00 0.00 0.00 12 A 9.04 4.78 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 13 G 8.56 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 14 G 9.05 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 15 Q 7.82 4.20 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.33 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 16 G 8.03 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 17 L 8.01 3.95 0.00 1.65 1.86 0.94 0.89 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 18 I 7.57 3.61 1.86 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.71 0.92 0.00 0.00 19 L 7.94 3.85 0.00 1.70 1.75 0.93 1.05 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 20 A 7.58 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 7.38 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.03 3.81 2.20 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 1.02 0.00 0.00 0.98 0.00 0.00 23 I 7.78 3.56 1.95 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 1.42 0.72 0.90 0.00 0.00 *25 A 7.97 4.33 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 26 E 8.33 4.10 0.00 2.13 2.12 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 2.36 2.69 0.00 27 A 8.49 4.15 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 28 A 8.19 4.08 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 29 S 7.69 5.05 0.00 4.14 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 30 I 7.83 3.70 1.64 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.49 0.33 0.00 0.00 31 Y 7.93 4.49 0.00 3.15 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 32 D 8.09 4.69 0.00 2.97 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 33 G 7.62 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 0.00 0.00 0.00 34 K 7.94 4.43 0.00 1.99 2.01 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.46 1.60 7.81 35 Q 8.56 5.00 0.00 2.19 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.65 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 36 A 8.14 5.76 1.23 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 0.00 0.00 37 V 8.32 4.51 2.11 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 1.08 0.00 0.00 0.95 0.00 0.00 38 Q 8.57 5.22 0.00 2.08 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.50 0.00 0.00 0.00 0.00 0.00 2.43 2.41 0.00 39 S 8.80 4.87 0.00 3.93 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 40 Q 8.66 4.89 0.00 1.60 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.83 0.00 0.00 0.00 0.00 0.00 2.33 2.42 0.00 41 S 8.49 4.90 0.00 3.98 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 42 Y 8.39 4.61 0.00 2.94 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 43 G 8.50 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 0.00 0.00 0.00 0.00 44 P 0.00 4.26 0.00 2.07 2.15 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 45 E 8.05 4.33 0.00 2.09 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 2.26 2.31 0.00 46 A 8.36 4.59 1.44 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 0.00 0.00 47 R 8.23 4.01 0.00 1.79 1.99 0.00 3.33 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 48 G 7.88 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 49 G 8.77 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 50 A 8.55 4.76 1.44 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 0.00 0.00 51 S 8.77 4.79 0.00 3.87 3.64 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 52 K 8.45 4.87 0.00 0.79 1.22 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.69 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.93 0.63 7.81 53 S 8.71 5.01 0.00 3.98 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 54 E 9.29 5.27 0.00 1.92 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 71 D 8.50 4.60 0.00 1.58 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 0.00 0.00 0.00 0.00 72 A 7.42 5.63 1.23 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 0.00 0.00 73 L 8.22 4.92 0.00 1.58 1.30 0.81 0.40 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 74 L 8.74 5.00 0.00 1.69 1.49 0.91 1.01 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 75 A 8.51 5.21 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 76 L 8.97 4.19 0.00 1.66 1.71 0.97 0.91 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 77 T 7.71 4.67 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 78 Q 8.42 4.06 0.00 2.44 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.96 0.00 0.00 0.00 0.00 0.00 2.42 2.50 0.00 79 E 8.10 3.89 0.00 2.07 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 2.40 2.38 0.00 80 A 7.79 4.15 1.42 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 0.00 0.00 81 C 8.16 4.10 0.00 3.15 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 82 D 7.76 4.52 0.00 2.84 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 83 K 7.93 3.88 0.00 1.85 1.72 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.35 7.81 84 Y 7.79 4.74 0.00 2.92 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 85 S 7.51 3.94 0.00 3.91 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 0.00 86 A 7.95 4.06 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 87 D 7.67 4.38 0.00 2.72 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 88 L 7.07 4.07 0.00 1.54 1.46 0.89 0.24 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 89 K 8.00 4.54 0.00 1.81 1.76 0.00 1.64 0.00 0.00 1.45 0.00 0.00 2.83 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.46 1.32 7.81 90 E 8.73 3.89 0.00 2.04 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 2.33 2.26 0.00 91 G 9.21 3.97 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 0.00 0.00 0.00 92 G 7.50 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 93 V 8.21 4.19 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 0.90 0.00 0.00 1.02 0.00 0.00 94 L 9.11 5.15 0.00 1.57 1.41 0.77 0.47 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 95 L 8.95 5.20 0.00 1.74 1.39 0.90 0.67 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 96 V 8.46 5.08 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 1.03 0.00 0.00 0.90 0.00 0.00 97 D 8.46 4.65 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 98 S 9.27 4.25 0.00 3.90 4.02 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 99 D 8.65 4.44 0.00 2.79 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 0.00 100 L 7.97 4.21 0.00 1.66 1.70 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.74 4.23 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 0.80 0.00 0.00 0.94 0.00 0.00 102 T 8.05 4.40 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 1.33 0.00 0.00 103 K 8.07 4.37 0.00 1.76 1.61 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.29 1.28 7.81 104 L 8.21 4.51 0.00 1.65 1.65 0.94 1.14 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 0.00 105 P 0.00 4.57 0.00 2.17 2.02 0.00 3.71 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.07 0.00 106 P 0.00 4.42 0.00 2.16 2.06 0.00 3.95 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 2.01 1.97 0.00 107 G 7.75 3.56 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 0.00 108 N 7.12 4.50 0.00 2.63 2.57 0.00 0.00 6.97 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 0.00 109 Y 7.00 5.07 0.00 2.92 2.77 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 0.00 110 Q 8.75 4.28 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.54 0.00 111 T 8.47 5.13 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 1.24 0.00 0.00 112 T 8.96 4.78 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 1.33 0.00 0.00 113 A 8.94 5.53 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 0.00 114 F 8.29 5.14 0.00 3.13 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 N 8.90 4.88 0.00 3.06 3.24 0.00 0.00 5.98 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 0.00 116 I 7.15 3.48 1.79 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 -0.12 0.81 0.00 0.00 117 I 8.93 3.73 1.92 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 0.50 0.91 0.00 0.00 118 N 8.17 4.34 0.00 2.90 2.90 0.00 0.00 7.05 7.05 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 0.00 119 T 8.47 4.17 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 1.31 0.00 0.00 120 A 7.68 3.98 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 0.00 121 K 8.17 3.97 0.00 1.77 1.87 0.00 2.01 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.49 7.81 122 N 8.45 4.65 0.00 2.89 2.87 0.00 0.00 6.99 7.93 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 0.00 123 D 7.78 4.67 0.00 2.91 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 0.00 124 V 7.63 3.85 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 0.90 0.00 0.00 1.03 0.00 0.00 125 G 8.20 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 R 7.86 4.54 0.00 1.87 1.84 0.00 3.36 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.74 0.00 127 E 8.83 4.03 0.00 2.01 1.95 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 2.37 2.30 0.00 128 I 7.68 4.17 1.80 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.57 0.87 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.87 4.02 2.34 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 1.25 0.00 0.00 1.22 0.00 0.00 140 A 7.71 3.71 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 L 7.55 4.11 0.00 1.68 1.71 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.02 3.84 3.81 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 1.35 0.00 0.00 143 G 7.60 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 0.00 144 V 7.78 3.71 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.81 0.00 0.00 145 V 7.33 4.70 2.20 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 0.87 0.00 0.00 1.01 0.00 0.00 146 S 9.09 4.40 0.00 4.04 4.02 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 0.00 147 K 8.50 4.01 0.00 1.79 1.77 0.00 0.64 0.00 0.00 1.38 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.32 7.81 148 E 8.15 4.07 0.00 2.03 1.89 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 2.30 2.30 0.00 149 A 7.78 3.79 1.44 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 0.00 0.00 150 A 7.79 3.84 1.50 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 0.00 0.00 151 E 8.14 3.05 0.00 1.89 1.71 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 1.88 1.78 0.00 152 K 7.73 3.65 0.00 0.90 0.91 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.93 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.26 1.41 7.81 153 A 7.32 3.92 1.29 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 0.00 0.00 154 V 7.60 3.58 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 0.94 0.00 0.00 0.83 0.00 0.00 155 L 7.23 4.00 0.00 1.64 1.66 0.82 0.84 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 0.00 156 S 7.77 4.41 0.00 4.08 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 0.00 157 R 7.63 4.57 0.00 1.94 1.90 0.00 3.14 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 158 V 7.42 4.27 2.11 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 0.79 0.00 0.00 1.00 0.00 0.00 159 P 0.00 4.33 0.00 2.51 2.14 0.00 3.66 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.06 0.00 160 E 9.26 3.77 0.00 2.01 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 2.39 2.36 0.00 161 A 7.99 4.23 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 0.00 162 F 8.85 4.64 0.00 3.21 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 0.00 163 V 7.63 3.66 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 164 E 8.12 3.94 0.00 2.00 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 2.39 2.34 0.00 165 L 8.08 4.02 0.00 2.06 1.86 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 166 N 8.43 4.41 0.00 3.05 2.90 0.00 0.00 6.68 6.98 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 0.00 167 R 8.40 3.89 0.00 1.82 2.11 0.00 3.09 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 168 K 8.18 3.97 0.00 1.82 2.03 0.00 1.89 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.50 1.50 7.81 169 A 8.28 4.20 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 0.00 170 F 8.53 4.27 0.00 3.18 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 0.00 171 Q 8.41 4.37 0.00 2.40 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.16 0.00 0.00 0.00 0.00 0.00 2.39 2.60 0.00 *173 G 8.00 3.95 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 0.00 0.00 0.00 174 F 8.18 3.93 0.00 2.77 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 0.00 175 E 8.53 4.00 0.00 2.02 1.94 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 2.39 2.58 0.00 176 K 7.84 3.64 0.00 0.96 0.74 0.00 1.50 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.29 1.33 7.81 177 A 7.34 3.85 1.27 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 0.00 0.00 178 L 7.15 3.92 0.00 1.55 1.62 0.80 0.57 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 0.00 179 A 7.72 4.06 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 0.00 180 A 8.09 4.18 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 * Residues marked with a * may have inaccurate shift predictions.