NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5389 8.1633 120.6194 55.4406 34.3085 173.7061 2 I 4.7296 8.3422 125.3866 59.3683 40.2918 173.2443 3 S 5.5492 9.5746 123.3883 56.7685 67.9231 172.3930 4 L 5.0316 9.8274 120.7584 53.2247 45.2035 175.8983 5 I 5.5096 8.4854 123.1342 58.4683 40.4593 174.2065 6 A 4.7572 8.5325 128.5098 51.2447 22.8023 174.9942 7 A 4.3372 8.8186 122.1293 50.8214 19.0668 175.7628 8 L 4.9049 8.0503 120.6039 53.8569 44.2063 177.0760 9 A 5.1267 9.1783 126.6093 50.7664 20.4121 176.9200 10 V 3.7537 7.9990 111.5234 63.5185 31.9286 177.8027 11 D 4.6379 8.8985 120.6571 54.5097 38.6730 175.2701 12 R 4.1654 8.0959 117.6335 55.9206 28.3793 175.4960 13 V 4.3645 7.6136 118.7172 63.2153 32.6053 175.5044 14 I 4.8090 7.7862 127.3379 59.1626 40.2227 175.1855 15 G 3.8682 8.8054 109.7748 47.7031 0.0000 173.0715 16 M 4.7181 8.2674 116.5450 55.9929 35.6528 174.3000 17 E 4.9323 7.7456 123.9942 57.0071 33.1081 175.9975 18 N 4.5700 8.1219 114.9745 52.1063 39.5234 175.0284 19 A 4.0294 8.2684 124.8289 52.1738 19.1201 177.5902 20 M 3.7330 8.0331 121.9884 54.4538 32.7435 176.1213 21 P 4.4778 0.0000 0.0000 60.8420 29.2618 174.3383 22 W 4.9508 7.1964 119.3006 57.3906 31.5420 175.6627 23 N 5.1022 8.9929 114.6810 53.0033 39.4800 174.3134 24 L 4.7534 7.4357 121.9350 52.1528 41.3745 175.6625 25 P 4.2581 0.0000 0.0000 65.2915 31.3046 178.1463 26 A 3.9295 8.7508 121.1493 55.2757 18.1558 178.8874 27 D 4.4449 7.6515 115.6235 57.5471 41.2644 178.0781 28 L 4.0214 7.6137 118.9981 57.9863 41.6891 179.3676 29 A 4.0427 8.6163 120.6111 55.1657 18.3702 179.4156 30 W 4.2034 8.7527 127.1154 60.5053 30.6398 177.8519 31 F 3.8559 8.6238 121.1188 61.4107 38.8195 176.3320 32 K 3.7213 8.5127 120.0905 59.0143 31.6214 178.9436 33 R 3.7252 7.5239 118.8188 59.1188 30.6739 177.6221 34 N 4.1245 7.1129 112.9923 53.6657 38.8297 175.6608 35 T 3.9395 6.9281 110.6298 61.6985 70.7664 174.5108 36 L 3.7561 8.0831 123.8008 56.6660 42.2913 175.9182 37 D 4.4240 8.1246 121.4392 55.0571 38.9688 173.8595 38 K 4.4806 7.5863 117.1765 53.7879 35.7232 174.9572 39 P 4.4755 0.0000 0.0000 62.8391 32.8072 175.7190 40 V 5.5179 8.2182 114.3019 58.7194 35.9516 174.6691 41 I 5.0881 8.0877 123.5906 59.7308 40.7198 174.2890 42 M 5.6813 8.4782 123.7569 52.4623 35.2752 175.0648 43 G 3.8744 8.6200 107.2136 46.3765 0.0000 174.1029 44 R 4.1699 9.0666 121.0885 60.1707 30.0477 177.9080 45 H 4.0383 8.5317 114.8733 59.6897 28.8251 177.4328 46 T 3.9137 8.1066 116.4555 67.1130 68.0390 175.3096 47 W 4.4562 8.2141 128.9204 61.3983 30.3323 177.5802 48 E 3.5350 8.5263 119.9822 59.3498 29.1391 179.7028 49 S 4.2041 7.8298 114.4922 61.7474 63.0378 176.3190 50 I 3.7260 7.8839 121.4688 62.5964 36.8169 176.1304 51 G 4.1310 8.0135 107.9861 44.8626 0.0000 173.6344 52 R 4.4822 7.0144 116.3281 53.0446 33.3433 172.6987 53 P 4.6531 0.0000 0.0000 62.7588 31.9294 176.3631 54 L 4.1630 8.6085 122.8248 54.1737 41.9011 175.8076 55 P 4.3094 0.0000 0.0000 63.3181 32.4386 176.3015 56 G 3.9561 8.5178 108.0061 45.5388 0.0000 171.5551 57 R 4.1743 7.1006 114.1068 55.6591 34.5289 175.1430 58 K 4.2773 7.9838 120.6771 54.8386 33.2988 174.7867 59 N 4.6180 8.5813 125.6702 53.3426 39.0684 173.9700 60 I 5.0036 8.1178 124.1598 58.1486 41.2318 174.9030 61 I 5.0541 7.5118 125.4041 58.2770 40.5821 174.0113 62 L 4.8289 8.4309 127.8164 52.8705 43.2870 174.1742 63 S 4.5733 8.1979 124.5274 57.1395 65.4262 173.8156 64 S 4.5933 8.8169 111.1265 58.4919 67.7178 175.9975 65 Q 4.3626 7.8258 119.1999 52.9659 30.2828 172.6435 66 P 4.1056 0.0000 0.0000 62.7936 31.4040 175.8375 67 G 2.0000 7.6582 109.3249 43.5513 0.0000 173.2094 68 T 3.7624 7.9845 119.1442 61.7677 67.5657 171.7485 69 D 4.7775 9.4763 116.8991 55.2623 42.3716 175.0407 70 D 4.7713 8.9518 122.5929 54.3051 41.2416 177.4809 *71 R 4.3624 7.7599 119.8977 55.7410 31.1867 180.9242 72 V 4.4961 7.3029 110.8546 59.6456 35.3362 175.6865 73 T 4.1342 8.4364 121.4258 62.8777 68.9439 173.9901 74 W 4.5380 8.6919 127.6768 56.0426 28.4389 176.6195 75 V 4.5258 8.4622 118.1480 59.1141 34.6677 176.1400 76 K 4.6826 8.2965 119.3681 55.8827 33.4978 176.6686 77 S 4.5759 7.5998 109.7245 56.4112 64.9022 177.0813 78 V 3.5977 7.9246 120.9482 65.7588 30.9655 177.9016 79 D 4.3481 7.9357 118.7252 57.2263 40.8994 177.7815 80 E 3.9278 8.1762 118.3083 59.7603 29.3613 179.1338 81 A 3.9985 7.7116 119.1842 55.6334 18.6158 179.1835 82 I 3.8263 7.4789 116.5509 64.6963 37.3009 178.1602 83 A 3.9689 7.7982 120.9319 55.5316 18.0160 179.4166 84 A 4.0644 8.0272 116.6869 54.5089 18.4809 178.9348 85 C 4.2234 8.6450 115.2839 61.8768 28.8394 175.7180 86 G 3.8128 8.1794 108.5648 46.0110 0.0000 174.5053 87 D 4.7113 8.4359 114.8520 52.6828 39.6072 175.7255 88 V 4.5057 7.3612 114.4203 58.4322 34.7220 174.6849 89 P 4.4168 0.0000 0.0000 65.0355 31.6958 176.2594 90 E 4.8308 7.7975 118.4808 54.4544 32.8206 174.3050 91 I 4.3711 8.9536 127.7374 59.9331 39.7264 174.4285 92 M 4.4161 9.0838 127.8770 53.8585 33.5006 175.6778 93 V 4.1594 7.9500 125.7439 60.7205 32.1393 175.9032 94 I 4.9237 7.8163 125.6924 61.5117 37.3346 178.5853 95 G 2.4845 7.7705 117.0343 47.1538 0.0000 175.4940 96 G 3.7500 8.7986 114.8619 46.8082 0.0000 174.1497 97 G 3.4280 8.5795 103.5685 44.3513 0.0000 176.7752 98 R 4.7485 9.5230 123.1115 58.8915 30.5420 177.1538 99 V 3.6140 7.5690 117.2395 66.6830 31.3434 177.1061 100 Y 4.4679 7.7122 115.8399 61.6895 37.4012 178.7133 101 E 3.8429 7.9445 119.1755 60.1043 29.5156 180.0374 102 Q 3.7981 7.9053 116.6040 58.2478 28.8585 177.8178 103 F 4.4640 9.2767 119.1556 58.2759 39.5614 177.6342 104 L 4.0483 7.5298 120.4507 57.7732 41.5869 177.2117 105 P 4.3037 0.0000 0.0000 65.7547 31.3483 177.4630 106 K 4.3723 7.5257 113.5994 56.3623 31.9262 177.0004 107 A 4.7125 7.8030 122.5792 52.3356 19.3130 177.7473 108 Q 4.5386 9.3776 118.7031 55.4310 31.7676 174.1716 109 K 5.5457 8.2478 117.7813 56.3501 35.9231 173.9306 110 L 5.3333 9.8980 125.9378 53.3490 45.6409 175.4640 111 Y 5.1000 10.2217 121.9979 55.8061 38.2450 174.3963 112 L 5.2738 8.8779 122.6364 52.8957 45.7528 175.0186 113 T 4.8498 8.2079 115.0436 60.7277 70.1959 172.5045 114 H 4.8387 9.5763 127.3923 55.2227 30.4112 174.2345 115 I 4.7567 7.9314 123.8611 58.8757 38.6734 176.3750 116 D 4.8239 8.4712 131.3363 54.7606 39.5339 176.8346 117 A 4.8095 7.8186 120.0481 49.8969 22.3589 176.7521 118 E 4.1108 9.0239 122.6761 56.3674 29.2904 177.0980 119 V 4.1918 8.0739 123.8444 60.5289 33.1722 174.8698 120 E 4.0402 8.8328 126.9523 56.0247 29.8250 176.6716 121 G 4.2345 7.7729 108.4213 44.9021 0.0000 171.5907 122 D 4.5329 7.4315 119.1059 56.1255 41.9887 177.2813 123 T 4.0795 7.4628 115.3832 64.6857 70.0027 172.3322 124 H 5.2390 8.4894 120.1479 54.0090 33.5207 172.3025 125 F 4.6043 8.9671 122.4067 56.6626 40.0957 173.5389 126 P 4.1794 0.0000 0.0000 63.1147 31.1025 175.8921 127 D 4.5487 8.6204 123.1593 55.0093 41.3897 175.7358 128 Y 4.7277 7.3328 117.3814 56.0017 40.5883 174.0526 129 E 4.0722 9.3609 124.5933 56.4614 29.2965 175.6673 130 P 3.9737 0.0000 0.0000 66.1941 32.4207 178.2997 131 D 4.6327 8.1914 120.9109 56.6428 40.1291 180.2259 132 D 4.4644 8.6348 118.1544 56.3745 40.9338 175.2904 133 W 4.7741 8.6281 118.4027 54.2926 30.3117 175.4829 134 E 4.1701 8.5010 124.3303 56.9670 30.7268 176.7697 135 S 4.2812 8.5296 116.1985 57.9086 64.3659 173.9598 136 V 3.6867 8.4451 125.8276 64.4056 31.3218 176.8668 137 F 4.6858 8.3098 122.6190 59.1615 41.1001 175.6401 138 S 4.6077 7.4657 112.1007 57.3328 63.7893 171.7329 139 E 4.3541 8.2644 124.7465 53.6542 31.8563 173.6288 140 F 5.1673 8.5742 129.3459 56.7815 41.5905 174.3264 141 H 4.1919 7.8414 121.4068 53.9288 32.7320 173.4589 142 D 4.9834 8.0116 121.7635 52.7163 43.0012 174.8082 143 A 4.5381 8.2630 120.9304 52.7191 20.0687 174.3475 144 D 4.4840 9.2662 118.6232 53.0238 40.2797 176.4699 145 A 4.5727 9.2426 119.3932 52.1636 22.0511 178.2476 146 Q 4.2046 8.1215 114.8106 56.7948 30.1807 174.7011 147 N 5.2657 7.7514 115.3962 50.6111 38.2379 175.4832 148 S 4.2882 8.6372 115.8882 59.5909 62.9834 173.7462 149 H 4.7583 7.8129 115.6552 54.9053 33.3615 173.6506 150 S 4.2794 8.7453 117.0725 58.7383 63.5914 172.5658 151 Y 5.7540 7.5286 124.3237 54.8928 41.6978 173.7547 152 C 4.7705 7.7811 116.5644 58.4560 35.8652 172.3619 153 F 5.2645 8.9884 125.7440 56.2731 40.6127 174.6383 154 E 4.6125 9.1586 124.4155 54.9329 32.9764 174.0370 155 I 4.6797 8.7362 129.0038 60.0075 39.0674 174.5905 156 L 4.8784 9.3697 129.1372 52.4076 43.4971 175.6496 157 E 4.9387 8.7842 123.6524 54.4354 31.1779 175.2973 158 R 2.5100 8.0243 125.8995 56.5136 30.4003 176.3109 159 R 4.0949 8.7429 126.9840 56.4119 29.6920 175.8277 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 M 8.16 4.54 0.00 2.33 2.03 0.00 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.60 0.00 2 I 8.34 4.73 2.21 0.00 0.00 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 1.49 0.95 1.21 0.00 0.00 3 S 9.57 5.55 0.00 3.91 4.13 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.83 5.03 0.00 1.68 1.63 1.11 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 5 I 8.49 5.51 1.89 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.72 1.00 0.00 0.00 6 A 8.53 4.76 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 7 A 8.82 4.34 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 8 L 8.05 4.90 0.00 1.70 1.62 0.37 0.41 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 9 A 9.18 5.13 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 0.00 0.00 0.00 0.00 0.00 10 V 8.00 3.75 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 1.08 0.00 0.00 1.02 0.00 0.00 11 D 8.90 4.64 0.00 2.92 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 12 R 8.10 4.17 0.00 2.09 2.36 0.00 3.47 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 13 V 7.61 4.36 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 1.17 0.00 0.00 1.08 0.00 0.00 14 I 7.79 4.81 2.09 0.00 0.00 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 1.51 0.93 1.22 0.00 0.00 15 G 8.81 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 16 M 8.27 4.72 0.00 1.89 1.98 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.47 0.00 17 E 7.75 4.93 0.00 1.98 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 2.06 2.22 0.00 18 N 8.12 4.57 0.00 2.68 2.68 0.00 0.00 6.84 7.33 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 19 A 8.27 4.03 1.17 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 20 M 8.03 3.73 0.00 0.51 1.13 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 2.16 0.00 21 P 0.00 4.48 0.00 2.12 1.99 0.00 3.15 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.79 0.00 22 W 7.20 4.95 0.00 3.32 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 23 N 8.99 5.10 0.00 2.89 2.77 0.00 0.00 7.60 6.28 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 24 L 7.44 4.75 0.00 1.44 1.28 -0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 25 P 0.00 4.26 0.00 2.26 2.32 0.00 3.86 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.05 0.00 26 A 8.75 3.93 1.14 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 27 D 7.65 4.44 0.00 2.50 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 28 L 7.61 4.02 0.00 1.96 1.76 0.92 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.62 4.04 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 30 W 8.75 4.20 0.00 3.18 3.44 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 31 F 8.62 3.86 0.00 3.17 3.24 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 32 K 8.51 3.72 0.00 1.94 1.85 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.33 7.81 33 R 7.52 3.73 0.00 1.96 1.76 0.00 3.23 0.00 0.00 3.18 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.66 0.00 34 N 7.11 4.12 0.00 1.77 1.92 0.00 0.00 6.27 5.12 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 35 T 6.93 3.94 3.63 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 -0.33 0.00 0.00 36 L 8.08 3.76 0.00 1.55 1.51 0.85 0.26 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 37 D 8.12 4.42 0.00 2.82 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 38 K 7.59 4.48 0.00 1.70 1.49 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.86 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.23 1.24 7.81 39 P 0.00 4.48 0.00 2.02 1.92 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.07 0.00 40 V 8.22 5.52 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 1.11 0.00 0.00 0.96 0.00 0.00 41 I 8.09 5.09 1.61 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.10 0.95 0.00 0.00 42 M 8.48 5.68 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.42 0.00 43 G 8.62 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 44 R 9.07 4.17 0.00 2.09 2.11 0.00 3.50 0.00 0.00 3.72 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 45 H 8.53 4.04 0.00 3.31 3.42 0.00 5.89 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 46 T 8.11 3.91 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 1.23 0.00 0.00 47 W 8.21 4.46 0.00 3.43 3.37 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 48 E 8.53 3.54 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 2.45 2.58 0.00 49 S 7.83 4.20 0.00 3.96 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 50 I 7.88 3.73 1.84 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 1.41 0.56 0.89 0.00 0.00 51 G 8.01 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.01 4.48 0.00 1.64 1.69 0.00 3.26 0.00 0.00 3.21 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 53 P 0.00 4.65 0.00 2.19 2.32 0.00 3.75 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 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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 *71 R 7.76 4.36 0.00 1.60 1.79 0.00 3.14 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.72 0.00 72 V 7.30 4.50 1.64 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 0.79 0.00 0.00 -0.03 0.00 0.00 73 T 8.44 4.13 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 74 W 8.69 4.54 0.00 3.11 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 75 V 8.46 4.53 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 0.91 0.00 0.00 1.01 0.00 0.00 76 K 8.30 4.68 0.00 1.74 1.78 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.50 7.81 77 S 7.60 4.58 0.00 3.92 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 78 V 7.92 3.60 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 0.59 0.00 0.00 0.72 0.00 0.00 79 D 7.94 4.35 0.00 2.71 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 80 E 8.18 3.93 0.00 2.06 2.04 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 2.35 2.36 0.00 81 A 7.71 4.00 1.52 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 0.00 0.00 82 I 7.48 3.83 2.04 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.84 0.94 0.00 0.00 83 A 7.80 3.97 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 84 A 8.03 4.06 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 85 C 8.65 4.22 0.00 3.14 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 86 G 8.18 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 0.00 0.00 0.00 0.00 87 D 8.44 4.71 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 0.00 129 E 9.36 4.07 0.00 2.27 2.04 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 2.40 1.90 0.00 130 P 0.00 3.97 0.00 2.24 2.02 0.00 3.62 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.13 0.00 131 D 8.19 4.63 0.00 2.69 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 0.00 132 D 8.63 4.46 0.00 3.33 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 0.00 133 W 8.63 4.77 0.00 3.16 3.24 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 0.00 134 E 8.50 4.17 0.00 1.99 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 2.36 2.31 0.00 135 S 8.53 4.28 0.00 3.76 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 0.00 136 V 8.45 3.69 2.30 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 0.89 0.00 0.00 0.97 0.00 0.00 137 F 8.31 4.69 0.00 2.99 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 0.00 138 S 7.47 4.61 0.00 3.80 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.26 4.35 0.00 1.19 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 0.00 2.12 2.04 0.00 140 F 8.57 5.17 0.00 2.79 2.76 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 0.00 141 H 7.84 4.19 0.00 1.84 2.70 0.00 5.66 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 D 8.01 4.98 0.00 2.20 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 A 8.26 4.54 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 0.00 144 D 9.27 4.48 0.00 2.73 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 A 9.24 4.57 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 Q 8.12 4.20 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.92 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 147 N 7.75 5.27 0.00 3.14 2.93 0.00 0.00 6.80 7.77 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 0.00 148 S 8.64 4.29 0.00 4.03 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 0.00 149 H 7.81 4.76 0.00 3.06 3.27 0.00 5.85 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 0.00 150 S 8.75 4.28 0.00 3.87 4.60 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.53 5.75 0.00 2.60 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 0.00 152 C 7.78 4.77 0.00 3.03 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 0.00 153 F 8.99 5.26 0.00 2.74 2.54 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 0.00 154 E 9.16 4.61 0.00 1.93 1.73 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 2.25 2.34 0.00 155 I 8.74 4.68 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.41 0.60 0.00 0.00 156 L 9.37 4.88 0.00 1.55 1.93 0.77 1.07 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 0.00 157 E 8.78 4.94 0.00 1.94 1.87 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 2.31 2.28 0.00 158 R 8.02 2.51 0.00 0.67 1.17 0.00 3.07 0.00 0.00 2.91 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.03 0.00 159 R 8.74 4.09 0.00 1.62 1.78 0.00 3.39 0.00 0.00 3.26 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.54 0.00 * Residues marked with a * may have inaccurate shift predictions.