NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4588 8.3349 116.7962 58.0559 64.3097 173.2476 2 L 4.1515 8.3362 123.9942 52.8746 42.4013 176.1492 3 S 4.6391 8.8987 119.8772 57.0030 67.0037 175.0617 4 A 4.0132 8.3390 123.1787 55.3806 18.0122 179.9389 5 T 3.7817 7.8508 113.8815 66.9336 68.6474 176.0980 6 D 4.4638 7.8325 121.9655 56.7609 40.8047 179.2090 7 K 3.9623 8.1394 118.4516 59.4706 32.1124 179.2573 8 A 3.9519 8.2822 121.2488 55.2119 18.2015 179.9541 9 R 3.9166 8.0446 116.6913 59.2559 30.1085 179.3432 10 V 3.5725 7.8315 118.1265 65.7492 31.4227 178.2941 11 K 3.9460 8.2823 118.3622 59.3324 31.7654 179.1868 12 A 3.9586 7.8243 120.5670 55.0043 18.2503 179.2655 13 L 3.8177 7.9182 118.8290 58.0226 42.1548 178.6295 14 W 4.1762 8.5003 128.4721 60.9681 30.3684 177.5889 15 D 4.2479 7.9070 117.0306 57.2924 40.2608 178.5599 16 K 3.8978 7.4299 119.5432 58.6831 32.7042 178.1852 17 I 3.3520 7.2049 111.8267 60.0897 37.9521 175.3544 18 E 3.2742 6.7294 122.0446 57.3468 29.5347 175.9732 19 G 4.1434 8.4722 114.1881 46.5572 0.0000 175.8537 20 K 4.1684 7.4807 117.8733 56.6679 31.8933 179.2128 21 S 3.9544 7.5318 114.8586 61.6883 62.8058 176.1341 22 A 3.8578 8.0749 124.2690 55.0507 17.8852 179.1953 23 E 4.0088 7.9625 115.8715 58.9065 29.7854 179.1821 24 L 3.7803 7.8386 119.4748 57.6042 41.5985 179.7591 25 G 4.0675 9.1652 107.5350 47.1302 0.0000 175.5671 26 A 4.0023 7.8431 122.7300 54.9540 18.3145 179.5867 27 E 3.8906 8.3421 116.7654 59.4786 29.6386 179.2696 28 A 4.0051 8.4658 120.9605 55.2382 18.5225 179.4337 29 L 3.9959 8.2458 118.8894 58.3570 42.3063 179.3482 30 G 3.7253 8.4352 105.9450 47.9272 0.0000 175.6740 31 R 4.2285 8.3722 120.3459 58.7298 30.1769 178.7244 32 M 4.3344 8.1179 118.2912 58.6678 32.1315 178.2174 33 L 4.0757 7.8007 118.7177 57.9078 41.5913 179.7988 34 V 3.7232 7.2983 115.5197 65.9585 31.6375 177.7977 35 S 4.3711 8.4361 113.5547 59.1249 64.3937 174.6101 36 F 4.8436 8.4749 120.4697 53.6585 39.3600 173.3565 37 P 4.5492 0.0000 0.0000 64.4587 31.1454 177.6090 38 Q 4.1736 8.2911 116.1363 59.0177 28.4627 178.2300 39 T 4.2336 8.4097 111.9617 64.1932 69.0850 176.8143 40 K 4.2719 8.1358 121.3991 59.0868 31.7643 178.8914 41 I 3.6334 7.1649 112.5002 63.5734 37.3915 176.9995 42 Y 4.0271 7.7726 116.4623 58.3455 38.1706 175.6796 43 F 4.2867 7.8438 119.1788 56.7419 40.0312 177.1628 44 S 4.3121 8.0913 116.9316 60.7593 62.9014 175.2255 45 E 4.1522 7.9499 120.1676 58.7520 29.5648 177.5351 46 W 4.7976 7.8847 118.0594 56.3794 31.3260 176.5519 47 G 3.8640 8.5592 114.6751 46.2378 0.0000 176.7523 48 Q 3.8546 9.2626 116.2000 55.3393 29.8804 176.8243 49 D 4.3821 8.8935 121.3139 54.8715 40.8587 175.9053 50 L 3.8530 8.0911 125.8840 54.7010 39.8793 176.2946 51 G 4.1883 8.1367 112.4268 43.8883 0.0000 170.2953 52 P 4.3536 0.0000 0.0000 65.1622 31.4023 178.2926 53 Q 4.1493 7.9757 116.4658 58.1639 29.3434 177.1923 54 T 4.1627 7.5221 109.0620 60.4517 70.7618 173.7719 55 P 4.1217 0.0000 0.0000 66.2305 31.3965 178.5878 56 Q 3.4784 7.8163 117.7481 58.4208 28.3830 179.3293 57 V 3.4179 7.1315 118.7012 65.8959 31.7708 178.2849 58 R 3.8710 7.8046 115.6733 59.2744 28.9748 178.5269 59 N 4.4190 8.3262 117.4864 56.1367 38.6719 176.7871 60 H 4.4496 8.4794 119.4845 58.2824 29.9809 177.6331 61 G 3.5656 8.2717 108.1251 48.0502 0.0000 175.6575 62 A 4.0745 7.5950 123.0147 54.4152 18.2854 179.9033 63 V 3.5023 7.4967 116.7839 66.2458 31.6067 178.2560 64 I 3.6799 7.8404 119.4399 64.8774 36.9819 178.4823 65 M 4.3254 8.2004 118.3420 58.0605 31.6948 178.6072 66 A 4.1166 8.0146 121.1745 55.0115 18.5658 179.5010 67 A 3.9210 7.9485 119.4084 55.2614 18.4581 180.0860 68 V 3.4707 8.2847 117.4368 65.9158 31.4526 178.5309 69 G 3.1476 8.0794 106.0367 47.3493 0.0000 175.8165 70 K 4.0314 7.9506 120.2104 59.5658 32.9649 178.9596 71 A 4.0811 8.1044 122.4270 54.9100 18.2147 179.6702 72 V 3.2553 7.6415 116.8096 65.9436 31.2994 178.1263 73 K 4.1456 7.6184 117.8836 57.9067 32.3978 176.8711 74 S 4.7578 7.8518 114.7065 57.4687 63.2970 175.7659 75 I 3.8532 7.4395 122.7161 64.8696 37.7928 175.8418 76 D 4.6325 7.9035 117.4700 55.3194 41.7096 176.4172 77 N 4.8716 8.1400 115.9510 51.8365 40.8898 174.5905 78 L 3.9757 7.8999 121.3726 57.6073 42.5221 178.5893 79 V 3.6939 7.8378 118.0190 65.9950 31.4519 177.9745 80 G 3.7488 8.2028 104.6502 47.8279 0.0000 175.0185 81 G 3.7907 8.1096 105.4099 45.5558 0.0000 174.4697 82 L 4.6858 7.5926 120.0990 53.9899 42.7774 177.9758 83 S 4.0994 7.6425 116.0539 61.6798 62.6301 176.3251 84 Q 4.0024 7.9618 122.4072 58.6870 28.8715 177.6797 85 L 4.1061 7.8039 119.7994 57.4227 41.7345 179.1867 86 S 4.0804 8.0363 113.3924 61.3383 62.3548 175.7805 87 E 4.0271 8.2620 122.0914 59.0241 29.3413 178.5702 88 L 3.9424 7.8971 120.2927 58.5051 42.1724 178.7571 89 H 4.1220 8.6390 116.1722 59.0223 28.6193 177.7731 90 A 3.8392 8.2096 121.3475 53.8463 18.2388 177.8703 91 F 4.3364 7.9119 117.3471 60.0506 40.7496 176.8789 92 K 4.0907 8.5844 120.5142 59.4832 32.0581 178.0096 93 L 4.1466 8.3412 116.9405 54.9352 42.2091 176.9610 94 R 3.9158 8.0185 116.0596 56.9956 27.2947 176.8032 95 V 3.6676 7.9746 117.0228 62.5048 32.4753 174.8238 96 D 4.3478 8.4328 127.4563 53.1996 41.6399 174.9485 97 P 3.7294 0.0000 0.0000 66.1413 30.6708 178.0719 98 A 3.9194 8.2069 119.8133 54.6201 18.2399 178.7893 99 N 4.2713 7.9949 114.5851 55.2245 38.7405 177.3794 100 F 4.4586 7.7359 120.0460 60.5230 38.9063 177.6526 101 K 4.0528 7.6830 118.2482 59.3148 31.8772 179.5075 102 I 3.2969 7.3738 119.6118 64.1093 37.0218 178.0069 103 L 3.9119 7.7818 120.7400 58.0014 41.8839 178.5359 104 A 3.9920 7.9665 120.7561 55.6242 18.2150 178.9284 105 H 4.1261 8.1947 116.3703 59.8083 29.9460 177.2429 106 N 4.3177 8.1005 117.7852 56.0657 38.1745 177.6750 107 I 3.7052 7.9315 121.5660 64.5944 37.2813 178.4160 108 I 3.4937 8.1353 121.0109 64.1803 36.8828 178.2949 109 L 3.8535 8.1655 121.5605 58.0861 41.9464 179.2624 110 V 3.7017 7.6861 118.1677 65.9764 31.4237 177.9114 111 I 3.7894 7.9140 120.0185 64.6017 36.6974 178.5792 112 S 4.0186 7.7192 114.9730 61.6918 62.4284 176.0809 113 M 4.0722 7.9184 120.7311 57.7094 31.9852 176.8563 114 Y 3.9619 7.7519 115.5698 58.0464 40.4979 176.0516 115 F 5.0022 8.5343 117.4720 55.2049 38.2469 173.8258 116 P 4.5208 0.0000 0.0000 65.2428 31.8823 180.0217 117 G 3.8443 8.1986 106.6970 47.7263 0.0000 173.7513 118 D 4.6421 7.6096 115.6946 55.1329 41.9290 177.1027 119 F 4.7974 7.6441 123.5624 56.8532 37.6897 175.2301 120 T 4.1012 7.0217 110.7997 60.9449 71.1038 172.5094 121 P 4.1377 0.0000 0.0000 66.1910 31.0302 178.7929 122 E 3.9583 8.0053 116.5650 59.0907 29.3427 179.4563 123 V 3.5073 7.4904 117.9261 66.2357 31.8769 177.1260 124 H 3.3900 7.6707 118.1302 59.0682 29.4044 176.7814 125 L 3.8838 7.5772 121.5098 58.2856 42.0986 179.1875 126 S 4.3240 7.6479 116.1849 61.2565 62.8319 176.9804 127 V 3.9311 8.2316 121.1941 65.9724 31.2432 177.5777 128 D 4.4784 8.2671 117.7487 57.1797 41.1073 178.3713 129 K 4.0590 8.2961 119.2214 59.1870 32.0166 179.2165 130 F 4.2251 8.7432 121.4124 61.4668 39.4589 177.2157 131 L 3.6728 8.0174 118.3942 57.6344 41.4129 179.4906 132 A 3.9783 8.0695 120.7222 55.3289 18.2983 179.5396 133 C 4.0607 7.9443 115.3527 62.4951 28.1652 175.9743 134 L 3.5460 7.8863 122.1326 58.0900 41.6533 178.8262 135 A 3.2475 7.6285 120.4900 55.0123 17.9679 179.5522 136 L 3.8943 7.3229 115.7909 57.8808 41.8217 179.3326 137 A 4.0396 7.7137 120.7356 55.0507 18.0966 179.6547 138 L 3.8319 7.4893 116.2900 57.1280 41.8031 178.7905 139 S 4.0517 7.7058 113.6847 58.4855 62.7489 175.4347 140 E 3.8826 7.4692 124.0442 59.0426 29.4389 177.5972 141 K 4.4859 7.8053 115.5426 56.5986 32.2441 177.4823 142 Y 4.3391 7.8077 121.2585 61.8032 37.9735 177.0413 *143 R 4.2695 8.0803 120.6005 56.4538 30.2263 176.9643 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 1 S 8.33 4.46 0.00 3.88 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 2 L 8.34 4.15 0.00 1.75 1.63 1.09 0.73 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 3 S 8.90 4.64 0.00 4.07 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 4 A 8.34 4.01 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 7.85 3.78 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 1.20 0.00 0.00 6 D 7.83 4.46 0.00 3.04 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 7 K 8.14 3.96 0.00 1.94 1.81 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.66 7.81 8 A 8.28 3.95 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 9 R 8.04 3.92 0.00 1.99 1.97 0.00 3.11 0.00 0.00 3.07 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.84 0.00 10 V 7.83 3.57 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 0.41 0.00 0.00 0.79 0.00 0.00 11 K 8.28 3.95 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.62 7.81 12 A 7.82 3.96 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.92 3.82 0.00 1.87 1.91 1.07 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 14 W 8.50 4.18 0.00 3.44 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 15 D 7.91 4.25 0.00 2.82 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 16 K 7.43 3.90 0.00 1.52 1.92 0.00 1.48 0.00 0.00 1.64 0.00 0.00 3.17 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.17 0.74 7.81 17 I 7.20 3.35 1.66 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 -0.11 0.41 0.00 0.00 18 E 6.73 3.27 0.00 1.51 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.09 0.00 19 G 8.47 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 20 K 7.48 4.17 0.00 2.14 1.79 0.00 1.88 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.71 7.81 21 S 7.53 3.95 0.00 4.15 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 22 A 8.07 3.86 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 23 E 7.96 4.01 0.00 1.80 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 2.33 2.42 0.00 24 L 7.84 3.78 0.00 1.80 1.63 0.91 0.13 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 25 G 9.17 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 26 A 7.84 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 27 E 8.34 3.89 0.00 2.23 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 2.45 2.56 0.00 28 A 8.47 4.01 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 29 L 8.25 4.00 0.00 1.86 1.80 0.75 1.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.44 3.73 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 0.00 0.00 0.00 31 R 8.37 4.23 0.00 2.08 2.15 0.00 3.18 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.88 0.00 32 M 8.12 4.33 0.00 2.29 2.12 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 2.60 2.68 0.00 33 L 7.80 4.08 0.00 1.81 1.75 0.71 0.98 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 34 V 7.30 3.72 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 0.83 0.00 0.00 1.05 0.00 0.00 35 S 8.44 4.37 0.00 3.90 3.48 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 0.00 0.00 0.00 0.00 36 F 8.47 4.84 0.00 3.19 2.96 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 37 P 0.00 4.55 0.00 2.19 2.16 0.00 3.92 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 38 Q 8.29 4.17 0.00 2.35 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.92 0.00 0.00 0.00 0.00 0.00 2.57 2.55 0.00 39 T 8.41 4.23 4.47 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 1.32 0.00 0.00 40 K 8.14 4.27 0.00 2.02 2.00 0.00 1.86 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.55 1.69 7.81 41 I 7.16 3.63 1.59 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 -0.36 0.89 0.00 0.00 42 Y 7.77 4.03 0.00 2.42 2.38 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 43 F 7.84 4.29 0.00 2.88 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 0.00 0.00 0.00 0.00 44 S 8.09 4.31 0.00 3.95 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 45 E 7.95 4.15 0.00 2.00 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 0.00 2.32 2.38 0.00 46 W 7.88 4.80 0.00 3.60 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 47 G 8.56 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 48 Q 9.26 3.85 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 49 D 8.89 4.38 0.00 2.68 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 50 L 8.09 3.85 0.00 1.71 1.73 1.12 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.14 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 52 P 0.00 4.35 0.00 2.06 2.14 0.00 3.69 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 2.04 2.12 0.00 53 Q 7.98 4.15 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 54 T 7.52 4.16 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 1.33 0.00 0.00 55 P 0.00 4.12 0.00 2.19 2.29 0.00 3.66 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 1.97 2.00 0.00 56 Q 7.82 3.48 0.00 1.47 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.96 0.00 0.00 0.00 0.00 0.00 1.76 2.06 0.00 57 V 7.13 3.42 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 1.17 0.00 0.00 1.04 0.00 0.00 58 R 7.80 3.87 0.00 2.08 2.30 0.00 2.77 0.00 0.00 3.13 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 59 N 8.33 4.42 0.00 2.72 2.83 0.00 0.00 6.55 8.95 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 60 H 8.48 4.45 0.00 3.30 3.43 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.27 3.57 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 0.00 0.00 0.00 62 A 7.59 4.07 1.41 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 0.00 0.00 63 V 7.50 3.50 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 1.00 0.00 0.00 1.02 0.00 0.00 64 I 7.84 3.68 1.92 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.75 0.95 0.00 0.00 65 M 8.20 4.33 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.05 2.66 0.00 66 A 8.01 4.12 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 67 A 7.95 3.92 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 68 V 8.28 3.47 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 0.79 0.00 0.00 0.94 0.00 0.00 69 G 8.08 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 0.00 0.00 0.00 70 K 7.95 4.03 0.00 1.92 2.17 0.00 1.60 0.00 0.00 1.69 0.00 0.00 3.19 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.41 7.81 71 A 8.10 4.08 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 72 V 7.64 3.26 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 0.76 0.00 0.00 0.15 0.00 0.00 73 K 7.62 4.15 0.00 1.86 1.81 0.00 1.70 0.00 0.00 1.79 0.00 0.00 3.23 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.46 1.49 7.81 74 S 7.85 4.76 0.00 4.00 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 75 I 7.44 3.85 2.03 0.00 0.00 0.58 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 0.91 0.87 0.00 0.00 76 D 7.90 4.63 0.00 2.70 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 77 N 8.14 4.87 0.00 2.70 2.62 0.00 0.00 7.11 6.34 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 78 L 7.90 3.98 0.00 1.59 1.63 0.85 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 79 V 7.84 3.69 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 1.01 0.00 0.00 0.89 0.00 0.00 80 G 8.20 3.75 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 0.00 0.00 0.00 81 G 8.11 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 82 L 7.59 4.69 0.00 1.70 1.53 0.82 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 83 S 7.64 4.10 0.00 4.13 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 84 Q 7.96 4.00 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 85 L 7.80 4.11 0.00 1.82 1.67 0.89 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.04 4.08 0.00 3.92 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 87 E 8.26 4.03 0.00 2.15 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 2.36 2.24 0.00 88 L 7.90 3.94 0.00 1.89 1.92 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 89 H 8.64 4.12 0.00 3.33 3.44 0.00 5.86 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.21 3.84 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 91 F 7.91 4.34 0.00 2.99 3.32 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 92 K 8.58 4.09 0.00 1.80 2.00 0.00 1.87 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.43 7.81 93 L 8.34 4.15 0.00 1.66 1.71 0.87 0.91 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 94 R 8.02 3.92 0.00 1.95 2.02 0.00 3.39 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.46 0.00 95 V 7.97 3.67 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 0.07 0.00 0.00 0.86 0.00 0.00 96 D 8.43 4.35 0.00 2.71 2.48 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 0.00 0.00 0.00 0.00 97 P 0.00 3.73 0.00 2.34 2.51 0.00 3.51 0.00 0.00 3.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.73 0.00 98 A 8.21 3.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 N 7.99 4.27 0.00 2.39 2.67 0.00 0.00 6.83 8.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 F 7.74 4.46 0.00 3.09 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 K 7.68 4.05 0.00 1.68 1.85 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.21 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.65 1.63 7.81 102 I 7.37 3.30 1.78 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 0.94 0.85 0.04 0.00 0.00 103 L 7.78 3.91 0.00 1.83 1.71 0.97 1.09 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 0.00 104 A 7.97 3.99 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 0.00 105 H 8.19 4.13 0.00 3.28 3.48 0.00 5.79 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 0.00 106 N 8.10 4.32 0.00 2.97 3.01 0.00 0.00 7.11 7.26 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 0.00 107 I 7.93 3.71 2.08 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 1.58 0.89 1.00 0.00 0.00 108 I 8.14 3.49 1.92 0.00 0.00 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 1.57 0.85 0.94 0.00 0.00 109 L 8.17 3.85 0.00 1.80 1.80 0.92 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 0.00 110 V 7.69 3.70 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 1.06 0.00 0.00 111 I 7.91 3.79 1.56 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 1.66 0.83 0.87 0.00 0.00 112 S 7.72 4.02 0.00 4.10 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 0.00 113 M 7.92 4.07 0.00 2.18 2.27 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.33 0.00 114 Y 7.75 3.96 0.00 2.74 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 0.00 0.00 0.00 115 F 8.53 5.00 0.00 3.09 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 0.00 116 P 0.00 4.52 0.00 2.25 2.44 0.00 3.93 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.90 0.00 117 G 8.20 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 118 D 7.61 4.64 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 0.00 119 F 7.64 4.80 0.00 3.15 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 0.00 120 T 7.02 4.10 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 121 P 0.00 4.14 0.00 2.14 2.14 0.00 3.57 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 2.11 2.20 0.00 122 E 8.01 3.96 0.00 2.01 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 2.39 0.00 123 V 7.49 3.51 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 1.13 0.00 0.00 0.91 0.00 0.00 124 H 7.67 3.39 0.00 2.47 3.18 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 L 7.58 3.88 0.00 1.66 1.81 0.90 1.43 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 0.00 126 S 7.65 4.32 0.00 4.01 4.04 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 0.00 127 V 8.23 3.93 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 1.33 0.00 0.00 1.17 0.00 0.00 128 D 8.27 4.48 0.00 3.18 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.30 4.06 0.00 2.12 1.90 0.00 1.73 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.48 1.67 7.81 130 F 8.74 4.23 0.00 3.03 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 0.00 131 L 8.02 3.67 0.00 1.75 1.64 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.07 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 133 C 7.94 4.06 0.00 3.13 2.92 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 0.00 134 L 7.89 3.55 0.00 0.98 1.41 0.54 0.69 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 0.00 135 A 7.63 3.25 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 0.00 136 L 7.32 3.89 0.00 1.82 1.69 0.93 0.89 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 0.00 137 A 7.71 4.04 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 0.00 138 L 7.49 3.83 0.00 1.23 1.13 0.67 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 139 S 7.71 4.05 0.00 4.09 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 0.00 140 E 7.47 3.88 0.00 1.91 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 2.28 2.30 0.00 141 K 7.81 4.49 0.00 1.91 1.81 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.47 7.81 142 Y 7.81 4.34 0.00 3.12 2.96 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 *143 R 8.08 4.27 0.00 1.64 1.83 0.00 3.26 0.00 0.00 3.28 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 * Residues marked with a * may have inaccurate shift predictions.