NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.4051 8.2649 122.4717 51.6288 20.3178 176.2878 2 T 4.3904 8.2441 111.6361 61.8493 70.6346 172.1218 3 K 5.3098 8.8813 124.8770 54.9337 37.3410 174.6587 4 A 5.4430 9.1764 123.8207 50.8182 23.4367 175.1817 5 V 5.0129 8.7300 117.2651 60.8755 35.5499 173.5196 6 C 4.9448 9.0064 121.7435 58.1797 35.6174 172.5813 7 V 4.5440 8.4762 126.1409 61.6075 33.0453 174.1580 8 L 4.9071 8.8298 128.9968 53.6813 43.5292 175.9770 9 K 5.0437 8.4305 122.6328 53.0208 36.2391 175.1928 10 G 3.9128 8.9105 110.2211 45.2985 0.0000 173.0956 11 D 4.6965 9.2171 121.6510 53.4910 40.9522 174.6297 12 G 4.2220 7.7491 105.4433 42.9389 0.0000 171.6633 13 P 4.5780 0.0000 0.0000 61.8743 30.9278 175.9512 14 V 4.5728 7.3548 118.6525 61.9965 34.1530 174.7742 15 Q 4.7577 8.9005 129.1410 54.4556 32.3689 174.0652 16 G 4.5312 9.0242 111.7819 45.1610 0.0000 171.3985 17 I 5.0566 8.5802 120.6315 59.3066 40.9078 174.7678 18 I 4.6303 8.6595 127.4528 59.4406 40.4383 174.2330 19 N 5.0933 8.4579 124.4449 51.3823 41.0729 173.9026 20 F 5.3471 9.0809 120.7929 55.7071 42.7440 173.8525 21 E 5.1383 9.5713 123.5856 54.5407 33.4398 173.8644 22 Q 4.8331 9.3506 127.5960 54.3584 31.3457 176.0346 23 K 4.2187 9.0328 127.3539 58.8982 32.7657 177.1268 24 E 4.8065 7.7262 114.6748 54.3000 32.4561 176.1831 25 S 4.1528 8.6862 114.7986 60.9321 63.2458 174.5730 26 N 4.7246 8.1979 117.2018 52.3672 37.1785 174.1694 27 G 4.1841 7.7007 107.8000 42.9041 0.0000 171.2945 28 P 4.6722 0.0000 0.0000 62.6790 32.6163 175.7544 29 V 4.5668 8.8322 121.1807 61.2159 33.4469 174.5166 30 K 4.8356 9.0283 130.0792 55.3039 33.6969 175.4122 31 V 4.7449 9.2342 127.9095 60.8267 33.9464 174.1768 32 W 6.1725 8.6744 124.4782 53.5857 31.9288 175.9323 33 G 4.2333 8.1168 106.2225 46.1476 0.0000 170.9293 34 S 5.1558 7.6875 113.7438 57.1026 67.0094 173.3916 35 I 5.1850 8.8201 122.2259 59.4836 40.7356 174.7761 36 K 4.7737 9.3236 125.9855 55.5823 35.9814 176.8795 37 G 3.7899 8.7562 106.4756 46.8814 0.0000 173.3309 38 L 4.5372 7.7653 119.5760 52.7121 43.3057 176.5210 39 T 4.3191 8.1248 111.2108 61.0460 69.5144 174.0309 40 E 4.1402 8.6932 124.5337 56.8291 30.4728 175.9444 41 G 3.7344 8.0516 112.0222 44.3023 0.0000 171.9006 42 L 4.9059 8.1465 120.4061 54.3938 43.1073 176.3432 43 H 5.0140 9.2354 119.8198 53.6718 32.7417 173.4349 44 G 4.0298 9.1473 111.0389 46.5147 0.0000 172.5612 45 F 5.4619 9.2201 124.5589 56.9141 42.3876 172.9950 46 H 5.1874 8.9762 122.9926 53.9868 33.4129 172.8942 47 V 4.4627 8.5310 122.2121 62.1618 32.8551 174.9931 48 H 4.9435 9.2417 125.9004 54.7513 30.2515 176.2041 49 E 3.7288 8.8006 122.4952 58.7009 29.6715 177.0853 50 F 4.9855 8.0419 118.0308 54.8199 41.7298 176.8530 51 G 4.0910 8.3501 111.6071 44.6307 0.0000 174.3938 52 D 4.8228 7.9696 118.0139 52.6945 42.6437 174.6522 53 N 5.4855 8.6081 125.4367 52.1223 39.6247 177.3226 54 T 3.8778 8.3192 111.4565 63.9213 68.9040 174.4992 55 A 4.6339 7.6272 124.4198 51.4778 19.8649 177.5032 56 G 3.8717 7.9179 111.4886 46.5333 0.0000 174.3830 57 C 4.3722 8.5720 114.7084 59.6613 40.4969 175.8684 58 T 3.7547 7.8663 113.6706 64.9087 67.0651 175.2902 59 S 4.2286 8.1771 115.9192 60.7203 63.0423 174.9555 60 A 4.3682 7.5134 122.4795 52.2123 18.6481 178.5215 61 G 4.1932 8.1310 103.6907 43.7905 0.0000 170.5673 62 P 4.7083 0.0000 0.0000 61.9475 33.7277 175.1097 63 H 4.2597 8.4955 116.4496 55.8251 29.5202 175.5616 64 F 4.2779 9.1049 125.3855 58.1668 40.3298 174.9031 65 N 5.1279 7.8847 126.1709 51.4509 38.7468 173.0464 66 P 4.1367 0.0000 0.0000 64.9142 32.0550 177.9002 67 L 4.3264 7.5316 116.5997 53.7672 42.0650 176.0155 68 S 3.6285 7.5443 113.3101 59.7857 60.5091 171.8131 69 R 4.4391 8.1892 118.6911 54.8381 32.2224 176.0531 70 K 4.5310 8.7169 118.7735 55.2665 34.4710 176.0621 71 H 4.0775 8.7044 122.1316 56.7686 30.4561 174.8461 72 G 4.1163 7.4697 109.5444 45.6441 0.0000 172.1069 73 G 4.1783 8.8749 109.0812 43.1830 0.0000 173.3524 74 P 4.3128 0.0000 0.0000 65.3013 31.2690 177.7151 75 K 4.2036 7.9259 116.2988 57.5264 32.4766 176.6660 76 D 4.6788 7.8142 119.6507 53.3615 41.7175 176.4140 77 E 3.9243 8.8584 122.8344 59.2829 29.3299 177.1855 78 E 4.2585 7.9799 122.6740 55.2089 28.7513 174.7704 79 R 4.7492 7.6238 120.2196 55.4023 32.5283 174.6069 80 H 4.4896 9.1066 116.4179 55.2003 29.4321 177.0081 81 V 3.4881 8.3153 122.2251 66.4267 31.3379 177.1621 82 G 3.8647 8.2591 104.5232 47.1656 0.0000 173.6727 83 D 4.9404 8.1385 121.6666 53.5563 39.4471 175.8325 84 L 4.4583 8.5906 120.2267 53.1913 42.5791 177.6073 85 G 4.1489 8.7059 108.3713 45.6853 0.0000 174.2188 86 N 5.5814 8.5485 120.2976 51.4120 42.2687 173.4273 87 V 4.2490 8.6442 114.8500 60.2295 35.0578 174.9471 88 T 4.9988 8.1884 118.0226 61.9074 71.2620 173.0668 89 A 4.9533 8.9804 129.4072 50.5771 21.2462 176.9373 90 D 5.0368 8.5844 121.5166 51.9771 41.1518 177.4571 91 K 4.0094 8.4464 117.8017 58.8492 31.9647 177.7792 92 D 4.4909 8.2259 116.7109 53.3537 39.9688 177.1866 93 G 4.3497 8.6206 109.4322 44.6645 0.0000 172.5664 94 V 4.7561 7.7692 119.8119 61.0151 33.7229 174.0609 95 A 5.4087 8.9779 130.0775 49.7060 21.0671 175.0178 96 D 4.9735 8.6654 123.2433 53.2393 42.2911 176.1495 97 V 4.1478 8.7300 125.0001 61.4252 33.4291 174.9126 98 S 4.7880 8.4375 122.6826 57.4944 64.7670 172.9228 99 I 4.8157 9.1552 128.0773 59.5130 41.8753 173.9176 100 E 5.1935 8.8375 125.8702 54.4998 32.4899 173.9438 101 D 5.1214 9.2518 126.0309 52.7070 44.5767 175.8551 102 S 4.6775 9.0199 118.2661 58.4147 64.2772 174.6733 103 V 4.1126 7.9414 120.2881 64.5287 32.3771 176.1473 104 I 4.0180 7.8217 111.4652 61.2518 37.8662 174.5468 105 S 4.6388 8.1727 114.9671 57.5571 65.4604 173.5847 106 L 4.5771 9.0039 122.1860 54.1801 41.5254 176.3011 107 S 4.4440 7.8958 112.4009 58.1340 65.3307 174.7897 108 G 3.8416 8.5325 109.5169 44.7992 0.0000 173.5206 109 D 4.2981 8.6027 117.1389 54.2099 39.8588 175.9185 110 H 4.7113 7.7663 119.8576 54.6978 28.5681 175.6125 *112 I 3.7393 8.0097 118.2110 59.7597 39.3088 175.9617 113 I 3.6509 7.4001 122.5973 63.0369 37.5013 176.1972 114 G 3.8032 9.4898 113.4044 45.3252 0.0000 172.8005 115 R 4.9170 7.4067 118.7321 54.7699 33.6039 174.6157 116 T 4.9039 8.0623 115.7899 61.9981 70.9351 173.9105 117 L 4.6742 8.5828 128.8254 54.1190 44.0422 175.4072 118 V 4.9790 8.7884 125.5907 61.0181 35.1983 174.2013 119 V 5.1413 8.6209 126.7827 60.4960 33.7958 174.6625 120 H 5.2818 8.9437 120.9296 54.0771 30.7743 174.5405 121 E 4.1948 9.2978 122.1109 59.1751 29.9119 176.6122 122 K 4.7962 8.3883 116.7431 53.7191 36.6347 175.4951 123 A 4.4150 8.3097 123.5818 52.1798 18.8695 176.4038 124 D 4.7039 9.2599 123.2262 54.0940 41.9021 175.9570 125 D 4.5803 9.1557 125.4655 53.1434 39.5415 177.0287 126 L 3.7365 9.8721 119.5070 55.9943 39.5066 176.0445 127 G 4.2267 8.6770 105.3399 45.4686 0.0000 174.4634 128 K 4.6639 7.9703 118.5656 56.0572 32.8729 177.1890 129 G 4.0692 7.9226 107.5938 44.7069 0.0000 175.5192 130 G 3.9058 9.4420 107.5324 45.2870 0.0000 172.1385 131 N 5.0332 7.5246 115.0360 49.7837 40.8923 174.4889 132 E 4.0427 8.7151 118.0288 59.3022 29.5190 177.9924 133 E 3.9391 8.2095 118.9901 59.2220 29.4953 178.4190 134 S 4.1186 8.4536 113.6023 61.4575 62.3604 175.5439 135 T 4.3044 7.8797 109.7287 62.4046 68.5705 175.2728 136 K 4.2708 7.7086 118.9673 58.0042 34.2449 176.9717 137 T 4.0009 8.1420 106.1629 60.5362 70.6085 175.4286 138 G 3.8363 8.0079 109.2747 44.6464 0.0000 172.7451 139 N 4.2758 7.7221 114.6395 54.3874 36.4191 174.6326 140 A 4.6463 7.4152 117.7568 50.8748 19.9407 179.5304 141 G 4.0074 7.9186 105.3687 44.7581 0.0000 173.7349 142 S 4.3456 8.5765 113.6836 58.5684 64.4953 174.3929 143 R 4.3500 8.4109 120.5879 55.7750 29.1160 176.3905 144 L 4.2984 8.8900 125.9474 57.4347 43.0042 177.2459 145 A 4.8434 7.6882 117.9123 51.3469 22.8554 173.9561 146 C 5.5200 8.1743 113.0943 56.0909 46.8186 172.6230 147 G 4.6107 8.0446 104.3994 46.3891 0.0000 172.3607 148 V 4.5841 8.2670 120.5362 61.9689 32.8622 175.4213 149 I 4.1574 8.6716 129.3915 61.0139 38.1493 175.3130 150 G 4.4266 9.0663 114.4055 43.8745 0.0000 172.3586 151 I 4.2850 8.3566 121.8381 61.2458 37.6212 175.4409 152 A 4.8061 8.5382 127.9880 49.5147 22.2254 176.2207 153 Q 4.0697 8.5042 118.6174 56.5128 29.1888 175.9573 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 A 8.26 4.41 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 2 T 8.24 4.39 4.27 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 1.22 0.00 0.00 3 K 8.88 5.31 0.00 1.69 1.70 0.00 1.89 0.00 0.00 1.92 0.00 0.00 3.09 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.48 7.81 4 A 9.18 5.44 1.15 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 5 V 8.73 5.01 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 0.77 0.00 0.00 0.95 0.00 0.00 6 C 9.01 4.94 0.00 3.13 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 7 V 8.48 4.54 2.08 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 0.93 0.00 0.00 0.92 0.00 0.00 8 L 8.83 4.91 0.00 1.72 1.59 1.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.43 5.04 0.00 1.66 1.64 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.34 1.20 7.81 10 G 8.91 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 11 D 9.22 4.70 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 12 G 7.75 4.22 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 13 P 0.00 4.58 0.00 2.29 2.23 0.00 3.39 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 2.05 0.00 14 V 7.35 4.57 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 0.98 0.00 0.00 0.96 0.00 0.00 15 Q 8.90 4.76 0.00 2.13 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.39 0.00 0.00 0.00 0.00 0.00 2.24 2.41 0.00 16 G 9.02 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.58 5.06 1.78 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.08 0.77 0.00 0.00 18 I 8.66 4.63 1.81 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.38 0.44 0.00 0.00 19 N 8.46 5.09 0.00 1.44 2.01 0.00 0.00 6.37 8.41 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 20 F 9.08 5.35 0.00 2.91 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 21 E 9.57 5.14 0.00 2.16 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 22 Q 9.35 4.83 0.00 2.15 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.51 0.00 23 K 9.03 4.22 0.00 1.81 1.88 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.47 7.81 24 E 7.73 4.81 0.00 2.06 2.00 0.00 0.00 0.00 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 2.25 0.00 25 S 8.69 4.15 0.00 4.00 4.05 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 26 N 8.20 4.72 0.00 2.85 2.94 0.00 0.00 5.79 7.00 0.00 0.00 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 G 7.70 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 28 P 0.00 4.67 0.00 2.14 2.11 0.00 3.77 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.99 0.00 29 V 8.83 4.57 2.22 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 1.22 0.00 0.00 1.07 0.00 0.00 30 K 9.03 4.84 0.00 2.09 1.82 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.75 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.65 1.31 7.81 31 V 9.23 4.74 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 0.79 0.00 0.00 1.05 0.00 0.00 32 W 8.67 6.17 0.00 3.42 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 33 G 8.12 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 0.00 0.00 0.00 0.00 34 S 7.69 5.16 0.00 3.85 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 35 I 8.82 5.19 1.80 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.57 0.92 0.00 0.00 36 K 9.32 4.77 0.00 1.75 1.88 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.34 7.81 37 G 8.76 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 38 L 7.77 4.54 0.00 1.79 1.37 0.81 0.27 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 39 T 8.12 4.32 4.27 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 1.24 0.00 0.00 40 E 8.69 4.14 0.00 1.96 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.30 0.00 41 G 8.05 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 42 L 8.15 4.91 0.00 1.50 1.58 0.92 0.97 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 43 H 9.24 5.01 0.00 3.01 3.31 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 44 G 9.15 4.03 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 0.00 0.00 0.00 45 F 9.22 5.46 0.00 2.94 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 H 8.98 5.19 0.00 3.16 2.98 0.00 5.67 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 47 V 8.53 4.46 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 0.88 0.00 0.00 0.86 0.00 0.00 48 H 9.24 4.94 0.00 3.04 3.34 0.00 5.67 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.80 3.73 0.00 1.64 1.12 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 1.60 2.18 0.00 50 F 8.04 4.99 0.00 3.02 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 51 G 8.35 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 D 7.97 4.82 0.00 2.63 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 53 N 8.61 5.49 0.00 2.74 2.74 0.00 0.00 7.36 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 54 T 8.32 3.88 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 1.22 0.00 0.00 55 A 7.63 4.63 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 56 G 7.92 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 C 8.57 4.37 0.00 2.97 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 58 T 7.87 3.75 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 1.27 0.00 0.00 59 S 8.18 4.23 0.00 4.18 4.05 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 60 A 7.51 4.37 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 61 G 8.13 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 62 P 0.00 4.71 0.00 2.04 2.20 0.00 3.48 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.96 0.00 63 H 8.50 4.26 0.00 2.75 3.18 0.00 5.72 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 F 9.10 4.28 0.00 2.85 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 65 N 7.88 5.13 0.00 2.54 2.42 0.00 0.00 6.91 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 66 P 0.00 4.14 0.00 2.01 1.84 0.00 2.96 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.08 0.00 67 L 7.53 4.33 0.00 1.53 1.66 0.86 0.85 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 68 S 7.54 3.63 0.00 4.02 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 69 R 8.19 4.44 0.00 1.85 2.04 0.00 3.28 0.00 0.00 3.19 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 70 K 8.72 4.53 0.00 1.61 1.86 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.50 7.81 71 H 8.70 4.08 0.00 3.15 3.16 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 G 7.47 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 0.00 0.00 0.00 73 G 8.87 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 74 P 0.00 4.31 0.00 2.23 2.36 0.00 3.79 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 2.02 2.20 0.00 75 K 7.93 4.20 0.00 1.78 1.90 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 76 D 7.81 4.68 0.00 2.75 2.62 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 0.00 0.00 0.00 77 E 8.86 3.92 0.00 1.94 2.00 0.00 0.00 0.00 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 2.30 0.00 78 E 7.98 4.26 0.00 2.01 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 2.31 2.30 0.00 79 R 7.62 4.75 0.00 1.95 1.89 0.00 2.87 0.00 0.00 2.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 80 H 9.11 4.49 0.00 3.43 3.35 0.00 5.66 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.32 3.49 1.57 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 0.86 0.00 0.00 0.56 0.00 0.00 82 G 8.26 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 83 D 8.14 4.94 0.00 2.70 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 84 L 8.59 4.46 0.00 1.80 1.93 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 G 8.71 4.15 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 86 N 8.55 5.58 0.00 2.58 2.69 0.00 0.00 6.67 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 87 V 8.64 4.25 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 -0.23 0.00 0.00 0.82 0.00 0.00 88 T 8.19 5.00 4.21 0.00 0.00 0.00 0.00 0.00 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 89 A 8.98 4.95 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 90 D 8.58 5.04 0.00 2.93 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 K 8.45 4.01 0.00 1.77 1.92 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.25 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.58 1.37 7.81 92 D 8.23 4.49 0.00 2.78 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 93 G 8.62 4.35 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 0.00 94 V 7.77 4.76 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 0.96 0.00 0.00 0.92 0.00 0.00 95 A 8.98 5.41 1.15 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 96 D 8.67 4.97 0.00 2.56 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.73 4.15 2.00 0.00 0.00 0.00 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 0.65 0.00 0.00 98 S 8.44 4.79 0.00 3.90 3.71 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 0.00 0.00 0.00 99 I 9.16 4.82 1.97 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.51 1.02 0.00 0.00 100 E 8.84 5.19 0.00 2.10 1.80 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 2.30 2.37 0.00 101 D 9.25 5.12 0.00 2.87 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.02 4.68 0.00 4.03 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 0.00 103 V 7.94 4.11 2.24 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 0.87 0.00 0.00 0.95 0.00 0.00 104 I 7.82 4.02 1.93 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.80 1.04 0.00 0.00 105 S 8.17 4.64 0.00 3.79 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 0.00 106 L 9.00 4.58 0.00 1.75 1.62 1.01 0.51 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 0.00 107 S 7.90 4.44 0.00 3.94 3.80 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 0.00 108 G 8.53 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 0.00 109 D 8.60 4.30 0.00 2.87 2.84 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 0.00 110 H 7.77 4.71 0.00 3.42 3.45 0.00 5.66 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 *112 I 8.01 3.74 1.60 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.19 0.98 0.00 0.00 113 I 7.40 3.65 1.77 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 1.20 0.37 0.84 0.00 0.00 114 G 9.49 3.80 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 0.00 0.00 0.00 115 R 7.41 4.92 0.00 1.59 1.79 0.00 2.21 0.00 0.00 2.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.46 0.00 116 T 8.06 4.90 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 1.22 0.00 0.00 117 L 8.58 4.67 0.00 1.77 1.52 0.48 0.62 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 0.00 118 V 8.79 4.98 2.10 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 0.75 0.00 0.00 0.83 0.00 0.00 119 V 8.62 5.14 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 0.77 0.00 0.00 1.03 0.00 0.00 120 H 8.94 5.28 0.00 3.27 3.54 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 9.30 4.19 0.00 2.07 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 0.00 2.36 2.35 0.00 122 K 8.39 4.80 0.00 1.70 1.68 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.50 7.81 123 A 8.31 4.41 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 0.00 124 D 9.26 4.70 0.00 2.70 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 0.00 125 D 9.16 4.58 0.00 2.93 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 0.00 126 L 9.87 3.74 0.00 1.86 1.87 0.94 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.68 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 0.00 0.00 0.00 0.00 128 K 7.97 4.66 0.00 1.81 1.77 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.49 7.81 129 G 7.92 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 0.00 130 G 9.44 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 0.00 131 N 7.52 5.03 0.00 2.76 2.77 0.00 0.00 6.16 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 0.00 132 E 8.72 4.04 0.00 2.05 1.98 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 2.37 2.36 0.00 133 E 8.21 3.94 0.00 2.06 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 2.35 0.00 134 S 8.45 4.12 0.00 4.10 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 0.00 135 T 7.88 4.30 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 0.00 136 K 7.71 4.27 0.00 1.79 1.80 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.32 1.50 7.81 137 T 8.14 4.00 4.20 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 1.14 0.00 0.00 138 G 8.01 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 0.00 139 N 7.72 4.28 0.00 3.03 2.91 0.00 0.00 6.81 7.37 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 0.00 140 A 7.42 4.65 1.26 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 0.00 0.00 141 G 7.92 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 0.00 142 S 8.58 4.35 0.00 3.93 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 0.00 143 R 8.41 4.35 0.00 1.68 1.85 0.00 3.17 0.00 0.00 3.11 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.65 0.00 144 L 8.89 4.30 0.00 1.73 1.70 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 145 A 7.69 4.84 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 0.00 146 C 8.17 5.52 0.00 3.10 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 0.00 147 G 8.04 4.61 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 0.00 148 V 8.27 4.58 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 0.78 0.00 0.00 0.93 0.00 0.00 149 I 8.67 4.16 1.81 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 1.07 0.39 0.49 0.00 0.00 150 G 9.07 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 I 8.36 4.29 1.86 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 1.25 0.54 0.91 0.00 0.00 152 A 8.54 4.81 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 0.00 153 Q 8.50 4.07 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.76 6.60 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.