NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4370 8.3193 115.4131 58.3311 63.6004 171.7522 3 S 4.6013 9.3277 114.5425 55.0059 66.2371 171.8936 4 S 5.9267 7.8903 128.7962 58.4446 65.1468 176.0076 5 E 4.5113 7.6893 118.1757 56.2889 33.0672 172.7595 6 E 3.5926 8.6306 117.7781 56.6156 25.0969 174.9330 7 V 4.1914 7.2600 111.5746 59.9491 33.6862 177.7733 8 S 4.5405 8.4292 119.3659 57.6903 65.1213 175.0506 9 W 4.2040 9.1307 132.9013 60.8937 30.3739 178.3953 10 I 3.4922 8.1047 119.0727 64.5356 36.4335 178.1616 11 S 4.2523 7.6782 113.2940 60.4645 62.3657 175.7106 12 W 4.1177 8.5506 131.4859 60.3615 30.4193 177.4861 13 F 2.4893 7.9658 120.7102 61.0597 38.4760 176.8038 14 C 3.9810 7.8614 115.3869 61.8972 28.0283 175.5841 15 G 3.6396 6.9712 105.5911 44.7117 0.0000 174.3253 16 L 3.8173 6.4783 121.5575 53.9610 42.1998 176.5455 17 R 3.9493 8.0001 121.8757 57.8252 30.4054 176.4777 18 G 3.8704 8.8814 113.3064 45.3726 0.0000 173.6719 19 N 5.1766 7.6861 116.5507 53.2159 38.8316 177.1205 20 E 4.0983 8.0853 120.5935 59.3379 29.7108 178.5823 21 F 5.0041 8.0076 116.2030 59.8343 39.3515 175.7981 22 F 4.6730 8.1463 118.9770 57.1565 39.4738 174.2085 23 C 5.1173 8.7783 116.3583 56.2515 32.6461 173.5575 24 E 4.4154 8.6938 120.3353 55.5062 29.1891 176.6000 25 V 2.7729 8.5432 125.3129 61.8978 32.2455 175.6150 26 D 4.4418 7.8984 127.1804 54.5739 41.4952 176.7311 27 E 3.9471 9.2787 125.0505 59.7395 29.4003 178.7498 28 D 4.6271 8.1836 119.6408 56.0837 39.0223 177.8066 29 Y 4.0568 7.7730 120.1694 60.6994 38.8861 177.8456 30 I 3.8529 7.7388 119.2344 64.3818 37.1431 178.0441 31 Q 4.2989 8.2801 118.9254 57.3811 28.4633 175.4902 32 D 4.5656 7.6381 119.8840 53.4993 41.7753 176.5060 33 K 3.9029 8.7577 128.0650 59.7384 32.2302 178.7882 34 F 4.2757 8.6354 120.7192 61.3525 38.9792 176.8091 35 N 4.1824 8.0334 115.1238 54.8426 38.5274 176.2774 36 L 4.5742 7.4336 118.9612 53.0637 41.9564 176.0549 37 T 3.8955 6.5933 109.7883 63.5764 69.0535 173.1264 38 G 4.0896 8.9798 113.9581 45.3567 0.0000 175.4691 39 L 4.0650 8.1162 119.9410 57.4695 41.7219 178.7308 40 N 3.1400 7.7738 114.5266 54.0703 36.8210 174.9987 41 E 4.5594 7.6653 116.1460 56.0666 29.8128 177.1486 42 Q 4.5902 8.3200 118.9612 56.0051 31.0264 176.1675 43 V 4.5460 7.5709 110.1887 58.4308 33.1459 173.6395 44 P 4.3629 0.0000 0.0000 63.8749 32.1581 175.7301 45 H 4.3065 8.5232 114.5879 57.0431 26.5695 176.4539 46 Y 4.0142 7.5050 121.7357 61.1507 38.5055 177.6553 47 R 3.7714 8.0303 118.6339 59.7397 30.3982 178.4614 48 Q 3.9208 7.9685 117.0279 58.6392 28.7472 178.5779 49 A 3.7470 8.1642 122.4108 55.0014 18.3938 179.5119 50 L 3.5952 7.5051 118.7129 57.9149 42.1081 178.9944 51 D 4.1883 7.6166 119.0113 57.3576 40.6886 178.2477 52 M 3.8199 7.8107 118.6960 58.5980 31.9253 178.3470 53 I 2.7239 6.8167 118.8819 63.4841 37.2477 177.4312 54 L 4.3457 7.2349 116.3545 53.3030 43.0577 176.2845 55 D 4.3438 7.4805 118.3055 55.2906 38.0800 172.5632 56 L 4.7344 7.7390 118.1664 51.8604 45.6632 176.4547 57 E 3.7526 8.8657 120.5813 56.4863 29.5809 174.8472 58 P 4.2888 0.0000 0.0000 61.8408 31.9923 174.3884 *67 N 4.7229 8.7767 114.8720 54.5583 40.2244 176.4744 68 Q 4.3058 8.0027 115.0977 57.0026 29.7648 175.0261 69 S 4.4677 7.8369 109.3205 60.4789 64.5833 175.2207 70 D 4.6504 8.1481 120.8106 56.9086 40.2606 178.9610 71 L 4.0916 7.6763 117.8517 57.6271 41.4493 179.5054 72 I 3.8678 7.9871 120.3244 64.0001 36.5940 178.1386 73 E 4.0206 8.0342 119.0906 59.6374 29.4164 179.2766 74 Q 4.1799 8.4215 117.8612 58.7919 28.7264 178.6838 75 A 4.0304 7.8561 121.8404 55.0511 18.4045 179.5436 76 A 3.7509 8.2352 119.6226 54.9903 18.4443 179.5146 77 E 3.8201 8.1464 117.9619 59.6228 29.7748 178.8124 78 M 4.1766 8.1296 119.5903 58.0172 32.3752 177.9330 79 L 3.9193 8.3225 120.9769 58.2331 42.1931 178.2841 80 Y 3.9850 8.2925 120.1045 60.3447 38.6452 178.1738 81 G 2.6002 7.3877 106.2477 47.6199 0.0000 175.5935 82 L 4.1063 7.6834 122.0541 57.4070 41.5889 179.8762 83 I 3.7668 7.6776 119.7905 64.4374 36.9624 177.7404 84 H 3.8688 8.1146 119.3272 59.1630 29.3732 176.9030 85 A 3.8679 7.7688 121.1951 55.3447 18.4784 179.6485 86 R 4.0164 7.6995 115.7918 59.4673 30.2421 178.3064 87 Y 3.5796 8.3245 120.4733 60.6657 38.6457 178.0714 88 I 3.5962 7.5881 108.4329 61.3904 37.1422 176.1747 89 L 4.5525 7.5083 121.1136 55.5265 43.1235 177.5997 90 T 4.2492 7.4683 110.1076 60.9581 71.1763 175.2730 91 N 4.2646 8.6958 119.9469 56.5931 38.5775 177.7308 92 R 3.9408 7.8241 119.7495 59.0820 30.2775 178.4725 93 G 2.7872 7.2829 105.4170 47.7175 0.0000 175.4899 94 I 3.7191 7.8716 123.1279 63.9251 36.9813 178.2829 95 A 3.9471 7.7643 121.2132 55.3143 18.3600 179.7439 96 Q 3.9840 7.8758 116.2723 59.4709 28.8428 178.9694 97 M 4.3129 8.3095 119.8607 58.3929 32.0408 178.5174 98 L 4.0759 8.3268 120.8621 57.9433 41.9478 178.6708 99 E 3.9270 7.9538 119.1150 59.3312 29.7109 178.7822 100 K 3.8186 8.0392 118.0580 59.6092 32.1074 178.5527 101 Y 4.4306 8.7827 120.0278 61.1596 38.5692 178.4594 102 Q 4.0192 8.1539 116.9984 58.2371 28.8558 177.7119 103 Q 4.4114 7.5386 117.2604 54.9457 29.3164 176.0487 104 G 4.2070 7.7968 108.0319 46.3519 0.0000 175.8407 105 D 4.2106 7.7914 121.6351 56.2855 40.7022 177.5482 106 F 4.2209 7.5350 115.1284 56.8073 39.8065 175.5744 107 G 3.7285 7.6852 107.2537 44.9141 0.0000 171.8536 108 Y 5.0389 7.8728 114.6150 55.4659 40.8646 175.2979 109 C 4.0916 8.8519 123.9611 59.0975 31.9404 172.4463 110 P 4.3050 0.0000 0.0000 64.7010 31.8005 177.0561 111 R 3.8877 7.5611 119.2402 56.1986 30.5770 177.5055 112 V 3.4036 8.3200 122.3183 66.1366 31.5766 177.0515 113 Y 4.5755 7.3309 114.2756 59.4834 38.4272 175.8366 114 C 4.2440 7.9944 117.1134 59.9840 29.1519 172.8418 115 E 3.7802 8.4166 119.1123 58.1762 27.0405 174.3378 116 N 4.1745 7.8254 108.7527 54.2252 36.9824 175.4203 117 Q 4.3393 7.6631 118.3058 55.2551 30.3087 173.9539 118 P 4.7426 0.0000 0.0000 63.4252 32.1434 175.4891 119 M 4.9484 8.6137 121.5435 54.0113 34.9698 174.9389 120 L 4.5828 8.5188 119.3955 52.0929 44.9873 175.0030 121 P 4.4275 0.0000 0.0000 63.0911 32.3300 175.0501 122 I 4.5125 8.3929 119.6636 60.1517 41.9653 173.2058 123 G 4.4906 9.0081 114.0427 44.5791 0.0000 174.4364 124 L 4.3672 8.6587 121.8468 55.9417 42.3699 176.7915 125 S 4.6233 7.5611 111.1011 57.2446 65.1565 173.0826 126 D 4.7211 8.5526 122.9834 54.2321 41.6977 176.4904 127 I 4.2270 7.7272 122.4083 59.0915 37.8657 173.7860 128 P 4.4957 0.0000 0.0000 64.1141 31.6353 177.1009 129 G 4.0004 10.1883 110.4675 45.8660 0.0000 175.0002 130 E 4.0330 7.8715 118.5202 58.6466 29.9323 176.5724 131 A 4.7611 7.3293 118.1974 50.7018 23.0428 174.6872 132 M 4.8443 8.5116 119.0195 54.2620 33.4580 176.8635 133 V 3.7572 8.8179 121.0967 62.2684 32.2654 175.4626 134 K 4.7818 8.9479 121.9509 54.6323 36.4799 174.4528 135 L 5.0683 9.1561 120.5702 53.2441 44.8915 175.3152 136 Y 5.0349 9.1090 125.2164 56.0440 41.1956 173.7885 137 C 4.7544 8.3686 128.4738 57.6641 32.3201 172.6301 138 P 4.1448 0.0000 0.0000 64.6213 31.5338 177.6384 139 K 4.0024 7.9075 120.3372 59.2698 32.3082 177.1369 140 C 4.3617 7.9464 109.9054 57.8356 30.2948 172.8043 141 M 2.9188 7.3106 118.7836 56.8605 29.9573 175.2584 142 D 5.0255 7.6579 115.2195 52.4116 45.7207 174.0061 143 V 4.9410 7.9568 120.2229 61.2579 33.4664 174.1178 144 Y 4.8232 9.3989 124.9054 56.3919 42.0492 174.5217 145 T 4.7203 8.4762 117.6207 61.7235 69.8211 173.4411 146 P 4.4262 0.0000 0.0000 62.7369 32.0169 176.6348 147 K 4.1192 8.8550 121.9612 59.6200 33.1427 177.4278 148 S 4.4239 7.9624 114.6923 56.9626 63.2390 174.6868 149 S 3.7357 8.5102 121.8692 60.1133 63.1127 176.1470 150 R 3.9179 7.5072 117.0200 58.5659 29.5377 176.9696 151 H 4.6948 7.7841 114.6825 56.0616 28.9704 175.0870 152 H 4.8310 7.9981 116.0933 56.5076 28.2758 175.3291 153 H 4.8791 7.8970 112.9362 55.5098 30.4155 173.1334 154 T 4.6079 7.8401 118.0013 61.8931 69.0586 173.8161 155 D 4.5573 8.8080 127.0688 54.0789 41.8808 177.2861 156 G 3.7869 8.9422 112.8194 47.1651 0.0000 175.6587 157 A 4.2723 8.7185 123.2511 54.6797 18.2011 178.1797 158 Y 4.7152 7.5998 114.1928 58.9600 37.8484 176.6268 159 F 4.3122 8.2174 117.5226 55.6380 41.6160 176.0922 160 G 4.1776 7.7763 107.8519 45.3823 0.0000 174.3745 161 T 4.3568 8.0777 108.3727 62.1249 69.5554 176.5475 162 G 3.9898 7.8242 107.5866 44.2846 0.0000 174.6528 163 F 4.1865 8.0681 123.5409 60.8252 39.5076 174.9883 164 P 3.3598 0.0000 0.0000 65.6132 31.0720 178.0025 165 H 4.0054 7.8038 116.1451 59.4705 29.8861 176.7881 166 M 3.9568 7.8559 120.4240 58.4268 31.8385 178.4458 167 L 3.6329 7.3906 120.2694 58.2076 41.6498 179.0611 168 F 4.3586 7.4265 116.4729 60.0525 38.5471 177.7909 169 M 4.0597 7.5273 118.3291 58.3432 31.9098 178.5224 170 V 3.7534 7.6418 116.7742 64.7120 33.1012 175.6706 171 H 5.3529 7.9744 114.3105 52.2164 29.3596 172.3169 172 P 4.5265 0.0000 0.0000 64.7505 32.0047 179.1882 173 E 4.0740 8.4308 115.4932 58.9587 29.5548 177.6019 174 Y 4.4113 8.4662 115.6920 57.9827 38.3534 175.3574 175 R 3.7684 7.9546 121.8085 55.0076 29.9953 174.4494 176 P 4.5503 0.0000 0.0000 62.8184 33.2519 175.7791 177 K 4.4697 8.0302 118.5448 56.5605 31.0582 176.6493 178 R 4.1051 8.8561 129.8256 57.3940 30.0325 175.1671 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 2 S 8.32 4.44 0.00 4.00 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 3 S 9.33 4.60 0.00 4.02 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 4 S 7.89 5.93 0.00 3.97 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 5 E 7.69 4.51 0.00 1.92 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 0.00 2.20 2.32 0.00 6 E 8.63 3.59 0.00 2.20 2.09 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 2.18 2.26 0.00 7 V 7.26 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 0.76 0.00 0.00 0.98 0.00 0.00 8 S 8.43 4.54 0.00 4.23 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 9 W 9.13 4.20 0.00 3.64 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 10 I 8.10 3.49 1.97 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.83 0.97 0.00 0.00 11 S 7.68 4.25 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 12 W 8.55 4.12 0.00 3.29 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 7.97 2.49 0.00 1.51 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 0.00 0.00 0.00 14 C 7.86 3.98 0.00 2.92 3.02 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 15 G 6.97 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 0.00 0.00 0.00 16 L 6.48 3.82 0.00 1.06 1.16 0.02 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 17 R 8.00 3.95 0.00 1.65 1.71 0.00 3.11 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 18 G 8.88 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 0.00 0.00 0.00 19 N 7.69 5.18 0.00 2.46 2.58 0.00 0.00 6.84 7.76 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 20 E 8.09 4.10 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 21 F 8.01 5.00 0.00 2.92 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 22 F 8.15 4.67 0.00 3.37 3.17 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 23 C 8.78 5.12 0.00 3.22 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 24 E 8.69 4.42 0.00 2.16 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 2.47 2.38 0.00 25 V 8.54 2.77 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 -0.18 0.00 0.00 0.57 0.00 0.00 26 D 7.90 4.44 0.00 2.86 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 27 E 9.28 3.95 0.00 2.07 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 2.40 2.42 0.00 28 D 8.18 4.63 0.00 2.96 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 29 Y 7.77 4.06 0.00 3.12 3.17 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 30 I 7.74 3.85 2.04 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.89 0.88 0.00 0.00 31 Q 8.28 4.30 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.99 0.00 0.00 0.00 0.00 0.00 2.37 2.64 0.00 32 D 7.64 4.57 0.00 2.64 2.59 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 0.00 0.00 0.00 33 K 8.76 3.90 0.00 1.88 1.89 0.00 1.75 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.56 1.53 7.81 34 F 8.64 4.28 0.00 3.06 3.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 N 8.03 4.18 0.00 2.39 2.04 0.00 0.00 6.94 7.89 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 36 L 7.43 4.57 0.00 1.73 1.72 0.95 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 37 T 6.59 3.90 4.16 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 0.00 0.00 1.27 0.00 0.00 38 G 8.98 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 39 L 8.12 4.07 0.00 1.88 1.80 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 40 N 7.77 3.14 0.00 1.44 1.92 0.00 0.00 5.85 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 41 E 7.67 4.56 0.00 2.17 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 2.31 2.31 0.00 42 Q 8.32 4.59 0.00 2.18 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.27 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 43 V 7.57 4.55 2.13 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 0.86 0.00 0.00 1.11 0.00 0.00 44 P 0.00 4.36 0.00 1.97 2.10 0.00 3.88 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.99 0.00 45 H 8.52 4.31 0.00 3.36 3.37 0.00 5.66 0.00 0.00 0.00 0.00 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 Y 7.51 4.01 0.00 3.31 3.02 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 47 R 8.03 3.77 0.00 1.98 1.91 0.00 3.23 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 48 Q 7.97 3.92 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.69 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 49 A 8.16 3.75 1.21 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 0.00 0.00 0.00 50 L 7.51 3.60 0.00 1.02 1.38 0.73 0.99 0.00 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0.00 0.00 0.00 0.00 2.00 2.07 0.00 *67 N 8.78 4.72 0.00 2.79 2.85 0.00 0.00 6.59 7.07 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 68 Q 8.00 4.31 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.59 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 69 S 7.84 4.47 0.00 3.81 3.74 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 70 D 8.15 4.65 0.00 2.82 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 71 L 7.68 4.09 0.00 1.72 1.80 0.99 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 72 I 7.99 3.87 1.99 0.00 0.00 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 1.39 0.48 0.83 0.00 0.00 73 E 8.03 4.02 0.00 2.26 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 2.46 2.60 0.00 74 Q 8.42 4.18 0.00 2.30 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.70 0.00 75 A 7.86 4.03 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 76 A 8.24 3.75 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.15 3.82 0.00 2.41 2.28 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 2.52 2.60 0.00 78 M 8.13 4.18 0.00 2.31 2.17 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.51 0.00 79 L 8.32 3.92 0.00 1.75 1.71 1.02 0.48 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 80 Y 8.29 3.98 0.00 2.89 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.39 2.60 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 0.00 0.00 0.00 82 L 7.68 4.11 0.00 1.83 1.77 1.04 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.68 3.77 1.79 0.00 0.00 0.82 0.00 0.00 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8.04 3.82 0.00 1.97 1.55 0.00 1.90 0.00 0.00 1.83 0.00 0.00 2.92 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.46 1.76 7.81 101 Y 8.78 4.43 0.00 3.22 3.16 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 0.00 0.00 0.00 102 Q 8.15 4.02 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.63 0.00 0.00 0.00 0.00 0.00 2.61 2.65 0.00 103 Q 7.54 4.41 0.00 2.20 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.53 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 104 G 7.80 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 0.00 0.00 0.00 0.00 105 D 7.79 4.21 0.00 1.96 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 0.00 0.00 0.00 0.00 106 F 7.53 4.22 0.00 3.08 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 0.00 107 G 7.69 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 0.00 108 Y 7.87 5.04 0.00 3.13 2.71 0.00 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8.82 3.76 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 0.73 0.00 0.00 0.42 0.00 0.00 134 K 8.95 4.78 0.00 1.65 1.89 0.00 1.64 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.52 7.81 135 L 9.16 5.07 0.00 1.58 1.51 0.99 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 136 Y 9.11 5.03 0.00 3.03 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 0.00 137 C 8.37 4.75 0.00 3.00 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 0.00 138 P 0.00 4.14 0.00 1.95 2.32 0.00 3.92 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 2.07 2.31 0.00 139 K 7.91 4.00 0.00 1.73 1.84 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.41 7.81 140 C 7.95 4.36 0.00 3.17 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 0.00 141 M 7.31 2.92 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.49 0.00 142 D 7.66 5.03 0.00 2.68 2.28 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 0.00 143 V 7.96 4.94 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 0.87 0.00 0.00 1.05 0.00 0.00 144 Y 9.40 4.82 0.00 2.96 2.86 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 0.00 145 T 8.48 4.72 4.31 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 1.23 0.00 0.00 146 P 0.00 4.43 0.00 2.22 2.26 0.00 3.82 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 147 K 8.85 4.12 0.00 1.90 2.00 0.00 1.63 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.49 1.48 7.81 148 S 7.96 4.42 0.00 3.88 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 S 8.51 3.74 0.00 4.04 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 0.00 150 R 7.51 3.92 0.00 1.78 1.94 0.00 2.92 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.08 0.00 151 H 7.78 4.69 0.00 3.25 3.17 0.00 5.80 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 H 8.00 4.83 0.00 3.17 3.19 0.00 5.61 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 H 7.90 4.88 0.00 3.18 3.33 0.00 5.84 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 T 7.84 4.61 4.36 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 1.61 0.00 0.00 155 D 8.81 4.56 0.00 2.41 1.54 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 0.00 156 G 8.94 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 0.00 157 A 8.72 4.27 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 0.00 158 Y 7.60 4.72 0.00 3.00 2.86 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 0.00 159 F 8.22 4.31 0.00 3.06 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 0.00 160 G 7.78 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 0.00 161 T 8.08 4.36 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 1.32 0.00 0.00 162 G 7.82 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 0.00 0.00 0.00 163 F 8.07 4.19 0.00 3.20 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 3.36 0.00 1.64 1.81 0.00 3.50 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.16 0.00 165 H 7.80 4.01 0.00 3.07 3.33 0.00 5.69 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 0.00 166 M 7.86 3.96 0.00 2.00 2.28 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 2.62 2.70 0.00 167 L 7.39 3.63 0.00 0.79 0.77 0.44 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 168 F 7.43 4.36 0.00 3.00 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 0.00 169 M 7.53 4.06 0.00 1.99 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.60 0.00 170 V 7.64 3.75 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 0.68 0.00 0.00 0.90 0.00 0.00 171 H 7.97 5.35 0.00 3.21 3.33 0.00 5.71 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 0.00 172 P 0.00 4.53 0.00 2.22 2.17 0.00 3.94 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.33 0.00 173 E 8.43 4.07 0.00 2.05 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 0.00 2.68 2.38 0.00 174 Y 8.47 4.41 0.00 3.31 3.47 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 0.00 175 R 7.95 3.77 0.00 1.90 1.89 0.00 3.12 0.00 0.00 2.96 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.25 0.00 176 P 0.00 4.55 0.00 2.06 1.99 0.00 3.54 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.21 0.00 177 K 8.03 4.47 0.00 1.70 0.82 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.44 7.81 178 R 8.86 4.11 0.00 1.73 1.79 0.00 3.30 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 * Residues marked with a * may have inaccurate shift predictions.