NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.3496 8.3149 120.1435 55.2267 33.8196 175.3132 2 P 4.2141 0.0000 0.0000 62.0916 31.9339 176.3460 3 A 4.3187 8.4771 123.3092 54.4229 19.0800 179.7732 4 S 4.2567 8.0683 111.9416 61.6195 62.9664 176.0474 5 M 3.9823 7.7796 121.1264 57.1974 31.4967 176.3656 6 Y 4.8209 7.5091 113.4968 56.9792 40.6115 177.1717 7 R 3.9811 8.4921 116.7760 57.9190 29.6938 176.5422 8 D 4.9189 7.3613 118.1896 53.9237 41.8144 176.9383 9 I 4.4105 8.0194 124.1180 59.6439 36.0685 174.7942 10 D 4.8646 7.9305 118.9740 52.3735 41.4093 177.3337 11 K 4.3822 7.7921 118.8183 54.4921 33.3566 174.6850 12 P 4.3755 0.0000 0.0000 62.3862 31.8696 176.3244 13 A 4.2419 8.4462 123.5978 52.6180 18.8477 177.2857 14 Y 4.8708 10.2328 124.9783 55.9104 39.2635 175.3191 15 T 4.5267 8.0480 111.8813 60.5056 70.9195 175.9233 16 R 4.3123 7.6903 122.2395 55.6820 28.0464 176.6566 17 R 3.8737 8.3727 122.8121 58.9114 30.4184 178.8665 18 E 3.8006 7.8648 114.1066 58.1783 29.5969 176.8121 19 Y 4.7471 8.0815 115.1482 57.4030 39.3912 175.2086 20 I 4.5944 7.4106 121.4148 59.4214 39.6534 174.9686 21 T 4.5711 8.4433 114.9064 60.8727 71.4382 173.3747 22 G 3.6689 8.6612 108.8159 46.6090 0.0000 173.8648 23 I 4.1744 7.5040 118.8908 59.0155 38.4531 174.9097 24 P 4.3448 0.0000 0.0000 62.3906 31.8169 176.6237 25 G 3.7541 8.3350 110.4045 45.2249 0.0000 173.1968 26 S 4.3676 8.3865 116.1771 57.7803 62.8426 174.4901 27 K 4.1680 8.8589 126.0787 57.4373 32.1721 177.0014 28 I 4.0632 7.4542 120.6362 60.9560 36.8294 175.7742 29 A 4.1570 9.7747 130.5387 54.6938 18.4226 177.1970 30 Q 4.7159 7.5870 111.2448 55.0350 33.1298 174.2305 31 H 4.7031 8.8676 115.1509 55.8405 31.7609 174.3017 32 K 5.0330 8.1964 117.2883 54.9268 34.0141 175.5911 33 M 4.7238 9.3813 124.5390 53.0670 36.1660 177.3388 34 G 3.4135 8.8846 108.4725 46.2886 0.0000 177.4776 35 R 4.3410 8.5646 122.4398 54.1138 28.8699 176.0916 36 K 4.3941 8.2833 117.4142 57.3799 32.6457 178.3699 37 Q 4.3329 7.8585 118.9108 56.7301 29.9174 175.8440 38 K 4.3791 7.5591 117.7538 55.2966 33.5646 175.5742 39 D 4.7306 8.8422 122.9329 52.9616 42.1524 178.0039 40 A 3.5687 8.2644 124.5331 55.1776 18.4397 179.6703 41 D 4.5070 7.8557 114.1041 56.8546 41.0285 176.8316 42 D 4.5612 7.9202 117.5182 54.9580 40.8843 175.5250 43 Y 4.7595 7.5082 117.1357 55.5791 40.3235 174.3667 44 P 4.4676 0.0000 0.0000 64.5193 32.1850 176.8257 45 V 5.3926 7.8160 117.2290 60.4350 34.4034 174.7885 46 Q 4.7992 8.6187 127.2347 54.7009 32.2833 173.2211 47 I 5.0940 8.4601 127.5048 59.6557 40.4073 175.0711 48 S 5.2693 9.3490 122.4229 56.6287 66.7902 172.5862 49 L 4.6440 8.2969 124.7653 53.7591 43.6646 175.1135 50 I 5.4626 8.5506 127.1871 58.5282 40.0110 175.0903 51 V 3.9970 8.3229 127.3970 63.1042 32.2509 175.9504 52 E 4.4761 9.0179 126.6428 56.9768 30.0178 176.0218 53 E 4.7727 7.7455 117.9155 54.5935 33.9720 175.1567 54 T 4.4094 8.4991 119.6366 63.8321 69.3566 174.2669 55 V 4.5970 8.7376 118.8187 60.7856 36.8680 172.6541 56 Q 5.1543 8.9344 119.9259 54.3339 31.6746 175.2396 57 L 4.9851 8.7777 123.6764 52.6610 44.4585 176.6810 58 R 4.4715 8.6599 123.6919 56.0546 31.0272 177.4157 59 H 4.1733 9.1325 118.0441 59.2586 28.1063 178.2138 60 G 3.4801 7.8345 107.5890 47.4236 0.0000 175.5539 61 S 4.1572 8.2318 115.6620 61.0539 62.4278 176.1901 62 L 4.0027 7.8246 121.3253 57.6755 41.4411 178.8421 63 E 3.8864 8.2180 118.9720 59.2675 29.6003 178.6785 64 A 3.9970 7.9683 120.9902 55.2391 18.2036 179.8184 65 S 4.0892 8.2971 112.8495 61.4542 63.1940 176.7343 66 R 3.6005 8.6682 122.8025 59.0003 29.9433 177.8324 67 L 3.8952 8.4720 120.6581 58.4640 41.6893 179.1459 68 S 4.3575 8.3419 113.5932 60.7778 62.7927 176.2720 69 A 3.9495 7.3841 124.5942 54.9986 18.5768 179.0483 70 N 4.2079 8.4091 115.9312 56.6839 38.9094 177.0097 71 R 3.8567 8.5704 120.5601 59.2853 30.0204 178.1433 72 H 4.1154 7.5417 118.5999 59.1513 29.9499 177.0213 73 L 3.6699 7.5667 120.5582 57.8876 41.3667 179.7105 74 I 3.7577 8.0345 119.9175 64.3229 36.8392 178.4557 75 K 3.9372 7.5575 119.0474 59.0137 32.0148 178.0793 76 E 4.1588 7.9410 117.7888 57.7643 30.0669 177.6210 77 L 4.5424 8.3404 116.9903 53.0338 42.2870 176.4503 78 G 4.1740 7.5008 107.7738 44.9955 0.0000 175.0195 79 E 4.0992 8.7670 119.2427 58.7901 29.5879 177.6898 80 E 4.7122 7.8334 117.6527 55.3637 30.9910 175.9047 81 G 4.0866 8.0611 106.6098 45.2468 0.0000 174.6397 82 D 4.6429 8.4734 120.9152 52.8260 39.8904 174.6186 83 Y 4.8426 7.4400 121.4350 56.0231 41.2501 172.9877 84 K 4.9362 8.3830 118.7082 55.7407 36.4077 174.6132 85 M 5.3867 9.0551 123.5041 54.0681 35.5776 174.1480 86 T 5.1870 9.6198 122.2615 61.8232 72.4553 172.9275 87 L 4.7849 8.9297 129.3751 53.4834 41.8614 176.2014 88 R 4.3132 8.4244 122.7018 57.1182 30.0206 176.8030 89 K 4.7125 7.6537 119.1512 54.7908 34.2129 175.4473 90 F 4.7242 8.5055 119.9899 54.9379 41.9631 174.4725 91 P 5.1870 0.0000 0.0000 62.3804 29.5288 175.2782 92 H 4.4416 8.3513 123.8418 58.5209 29.7403 175.8369 93 Q 4.3342 7.9794 121.7664 55.9059 29.7283 175.6214 94 V 4.3930 8.8083 127.8322 62.6898 32.6994 175.0652 95 L 4.9531 9.2020 126.4893 53.0905 44.7113 175.7698 96 R 5.1958 8.5513 120.3112 54.6547 34.0940 174.4687 97 E 4.5496 8.7445 119.8160 55.3487 33.7125 174.1669 98 N 5.0089 8.8789 126.2785 52.0815 37.7878 172.9662 99 K 4.5153 7.7313 123.0201 54.1826 32.0739 175.0378 *111 D 4.3502 7.8759 122.7988 54.8094 42.0038 173.4299 112 G 3.9642 8.0154 112.5192 45.2714 0.0000 172.1749 113 M 4.3922 7.9802 120.5225 54.1154 33.4184 176.5921 114 R 3.8854 7.8652 119.8149 57.3476 31.3881 176.0093 115 A 3.7496 8.5803 126.3049 53.4212 15.7730 176.8147 116 A 4.3869 7.6009 121.2247 52.0541 19.6266 177.9055 117 F 3.9034 8.4013 118.2704 58.3669 39.4325 175.0549 118 G 3.8867 7.9631 115.2916 46.1377 0.0000 172.3701 119 K 4.7157 8.6724 119.8985 55.3290 35.1201 176.1100 120 I 4.4681 8.3192 122.4898 61.9384 37.1437 176.3160 121 V 4.3475 9.5656 118.6011 60.0687 34.0130 175.8304 122 G 3.7985 6.9455 107.0598 45.9309 0.0000 171.0499 123 T 5.2096 7.1855 107.3378 60.3009 72.8434 172.4713 124 A 5.0956 8.8949 122.3312 50.9491 23.5557 174.6826 125 A 4.9435 8.9329 121.2693 50.2298 21.7300 176.2034 126 R 4.6797 8.6737 121.8549 55.3952 31.2168 176.0347 127 V 4.3504 8.8314 125.5487 61.0603 33.8377 174.8506 128 Q 4.6448 9.5225 127.5468 54.8667 30.1526 175.7016 129 A 4.1478 8.2592 126.1689 54.0844 18.8186 178.3647 130 G 3.9175 9.5635 110.9276 45.2139 0.0000 173.4048 131 E 4.4643 7.7389 119.0986 55.4711 31.8320 175.1995 132 Q 4.6854 8.3623 120.2514 55.2279 29.3847 175.5479 133 L 4.0492 8.9713 127.3615 57.1158 43.2627 176.2670 134 F 5.3443 7.7705 116.1231 56.0079 43.0549 174.4664 135 T 5.0575 9.2123 117.4483 62.2584 72.6036 172.8806 136 A 5.1480 9.2510 128.4733 50.1991 22.8625 174.4297 137 Y 5.1512 8.8156 117.5847 56.2992 41.6944 174.7850 138 C 5.3242 8.9203 117.8023 57.1228 34.2727 172.7194 139 N 4.9810 9.0659 116.1616 52.4524 39.5206 177.1512 140 V 3.7014 8.4058 121.5854 66.2308 32.0543 178.0094 141 E 4.1305 8.1931 118.1760 58.6755 29.6377 177.5771 142 D 4.7750 8.6647 117.2661 54.0543 41.1054 177.8443 143 A 3.8992 7.5267 122.5944 55.3309 17.9349 179.4950 144 E 4.0750 7.9676 115.3109 58.5339 29.7757 178.4603 145 H 4.3736 8.1407 117.4172 58.2453 29.0140 177.8974 146 V 3.2573 7.4267 120.5336 64.3954 31.3618 178.5231 147 K 3.9198 7.6761 118.8773 59.0334 31.7207 178.7837 148 E 3.9264 7.7653 118.9296 58.5091 29.5044 178.6505 149 A 3.8147 7.5794 121.2390 55.0538 18.3696 179.6384 150 F 4.3753 7.8456 116.3805 60.6369 38.7269 177.7888 151 R 2.6509 7.5378 117.4139 59.2126 29.9603 178.5264 152 R 3.8591 7.5132 117.6143 58.8727 30.0164 178.8667 153 A 3.9768 7.7060 120.9841 55.0954 18.2390 178.6550 154 Y 4.4450 7.6678 113.1712 58.5792 38.2782 176.7775 155 N 4.8823 7.8083 117.6413 54.2547 39.0298 175.5729 156 K 4.6146 7.7969 119.0067 55.6587 32.5978 175.6984 157 I 4.7729 7.3688 111.0641 59.0401 40.6749 175.3234 158 T 3.9530 8.7540 118.7934 66.5019 68.3505 173.2097 159 P 4.6985 0.0000 0.0000 62.9021 32.4681 175.1828 160 S 4.5929 7.9502 115.2298 58.0313 64.6178 173.3679 161 C 5.3225 7.9911 118.1973 58.3050 32.7142 173.3042 162 R 4.5966 8.8663 119.4195 54.6196 32.5314 175.5829 163 I 4.6152 8.5193 124.8625 60.3510 37.9760 174.2619 164 D 4.9026 9.0437 128.2007 52.4333 43.3713 174.8012 165 S 4.5421 8.6907 120.6432 57.9013 63.1828 172.2800 166 S 4.3209 9.3923 126.2829 59.6987 62.5765 173.0142 167 P 4.4342 0.0000 0.0000 63.5149 32.4683 175.1384 168 A 4.8107 8.1046 127.2341 52.2534 19.8165 175.9258 169 G 4.1615 8.3477 113.5897 45.7754 0.0000 171.9044 170 N 4.9305 8.0852 113.0339 52.1843 38.5937 174.9596 171 A 4.3359 7.6424 124.4921 52.2932 19.3565 176.6277 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 K 8.31 4.35 0.00 1.92 1.89 0.00 1.96 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.55 7.81 2 P 0.00 4.21 0.00 2.26 1.98 0.00 3.61 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 2.11 2.15 0.00 3 A 8.48 4.32 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 4 S 8.07 4.26 0.00 4.00 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 5 M 7.78 3.98 0.00 1.18 1.93 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.38 0.00 6 Y 7.51 4.82 0.00 3.04 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 R 8.49 3.98 0.00 1.97 2.30 0.00 3.04 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.58 0.00 8 D 7.36 4.92 0.00 2.58 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 9 I 8.02 4.41 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.58 0.93 0.00 0.00 10 D 7.93 4.86 0.00 2.72 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 11 K 7.79 4.38 0.00 1.78 1.75 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.85 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.44 7.81 12 P 0.00 4.38 0.00 2.09 2.04 0.00 3.67 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 13 A 8.45 4.24 1.30 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 0.00 0.00 14 Y 10.23 4.87 0.00 2.87 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.05 4.53 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 1.30 0.00 0.00 16 R 7.69 4.31 0.00 2.11 2.12 0.00 3.34 0.00 0.00 3.40 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 17 R 8.37 3.87 0.00 1.74 1.93 0.00 3.25 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.54 0.00 18 E 7.86 3.80 0.00 1.41 1.75 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 1.47 1.47 0.00 19 Y 8.08 4.75 0.00 2.91 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 20 I 7.41 4.59 1.73 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.56 0.87 0.00 0.00 21 T 8.44 4.57 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 1.23 0.00 0.00 22 G 8.66 3.67 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 0.00 0.00 0.00 23 I 7.50 4.17 1.85 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 1.40 0.59 0.88 0.00 0.00 24 P 0.00 4.34 0.00 1.99 1.99 0.00 3.65 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 25 G 8.34 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 26 S 8.39 4.37 0.00 3.87 3.83 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 27 K 8.86 4.17 0.00 1.68 1.80 0.00 1.58 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.41 7.81 28 I 7.45 4.06 1.86 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 1.18 0.47 0.69 0.00 0.00 29 A 9.77 4.16 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 30 Q 7.59 4.72 0.00 2.03 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.64 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.39 0.00 31 H 8.87 4.70 0.00 3.14 3.38 0.00 5.76 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 32 K 8.20 5.03 0.00 1.67 1.79 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.54 7.81 33 M 9.38 4.72 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.64 0.00 34 G 8.88 3.41 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 0.00 35 R 8.56 4.34 0.00 1.86 1.86 0.00 3.14 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.48 0.00 36 K 8.28 4.39 0.00 1.88 1.93 0.00 1.58 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.46 7.81 37 Q 7.86 4.33 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.98 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 38 K 7.56 4.38 0.00 1.76 1.81 0.00 1.74 0.00 0.00 1.73 0.00 0.00 2.53 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.54 1.40 7.81 39 D 8.84 4.73 0.00 2.89 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 40 A 8.26 3.57 0.30 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 0.00 0.00 41 D 7.86 4.51 0.00 2.67 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 42 D 7.92 4.56 0.00 2.61 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 Y 7.51 4.76 0.00 3.13 3.14 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 44 P 0.00 4.47 0.00 2.11 2.15 0.00 3.98 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.09 0.00 45 V 7.82 5.39 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.99 0.00 0.00 46 Q 8.62 4.80 0.00 2.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.63 0.00 0.00 0.00 0.00 0.00 2.24 1.99 0.00 47 I 8.46 5.09 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.64 1.07 0.00 0.00 48 S 9.35 5.27 0.00 3.70 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 49 L 8.30 4.64 0.00 0.59 1.20 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 50 I 8.55 5.46 1.85 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.22 0.96 0.00 0.00 51 V 8.32 4.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.89 0.00 0.00 52 E 9.02 4.48 0.00 2.00 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 2.27 2.23 0.00 53 E 7.75 4.77 0.00 1.76 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 2.18 2.30 0.00 54 T 8.50 4.41 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 1.28 0.00 0.00 55 V 8.74 4.60 2.17 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 0.67 0.00 0.00 0.97 0.00 0.00 56 Q 8.93 5.15 0.00 2.18 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.74 0.00 0.00 0.00 0.00 0.00 2.30 2.44 0.00 57 L 8.78 4.99 0.00 1.51 1.55 0.88 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.66 4.47 0.00 1.87 1.85 0.00 2.88 0.00 0.00 3.18 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 59 H 9.13 4.17 0.00 3.34 3.52 0.00 5.27 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 60 G 7.83 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 0.00 0.00 0.00 61 S 8.23 4.16 0.00 3.91 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 62 L 7.82 4.00 0.00 1.84 1.65 0.79 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.22 3.89 0.00 2.15 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 2.38 2.37 0.00 64 A 7.97 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.30 4.09 0.00 4.31 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 66 R 8.67 3.60 0.00 2.29 2.05 0.00 3.25 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 2.03 0.00 67 L 8.47 3.90 0.00 1.94 1.80 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.34 4.36 0.00 4.05 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 69 A 7.38 3.95 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 70 N 8.41 4.21 0.00 2.74 2.82 0.00 0.00 6.94 7.54 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 71 R 8.57 3.86 0.00 2.02 1.87 0.00 3.12 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.63 0.00 72 H 7.54 4.12 0.00 3.46 3.33 0.00 5.85 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 73 L 7.57 3.67 0.00 1.61 0.82 0.31 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 74 I 8.03 3.76 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.15 0.92 0.00 0.00 75 K 7.56 3.94 0.00 1.74 1.91 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.43 7.81 76 E 7.94 4.16 0.00 1.65 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.15 0.00 77 L 8.34 4.54 0.00 1.82 1.76 0.96 1.02 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 78 G 7.50 4.17 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 0.00 79 E 8.77 4.10 0.00 1.97 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 2.33 2.37 0.00 80 E 7.83 4.71 0.00 1.88 1.86 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 2.18 2.27 0.00 81 G 8.06 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 82 D 8.47 4.64 0.00 2.69 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 83 Y 7.44 4.84 0.00 3.15 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 84 K 8.38 4.94 0.00 1.95 1.85 0.00 1.46 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.00 1.46 7.81 85 M 9.06 5.39 0.00 2.26 2.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.65 0.00 86 T 9.62 5.19 4.41 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 1.38 0.00 0.00 87 L 8.93 4.78 0.00 1.73 1.50 0.10 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 88 R 8.42 4.31 0.00 1.86 2.09 0.00 3.13 0.00 0.00 3.30 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.70 0.00 89 K 7.65 4.71 0.00 1.58 1.71 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.25 1.29 7.81 90 F 8.51 4.72 0.00 2.78 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 91 P 0.00 5.19 0.00 2.15 2.09 0.00 3.44 0.00 0.00 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 92 H 8.35 4.44 0.00 3.21 3.39 0.00 5.70 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 7.98 4.33 0.00 2.24 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 7.10 0.00 0.00 0.00 0.00 0.00 2.49 2.51 0.00 94 V 8.81 4.39 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 0.91 0.00 0.00 0.84 0.00 0.00 95 L 9.20 4.95 0.00 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7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 115 A 8.58 3.75 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 0.00 116 A 7.60 4.39 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 0.00 117 F 8.40 3.90 0.00 2.97 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 0.00 118 G 7.96 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 K 8.67 4.72 0.00 1.89 1.98 0.00 1.35 0.00 0.00 1.67 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.55 1.44 7.81 120 I 8.32 4.47 2.02 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 1.51 0.67 0.99 0.00 0.00 121 V 9.57 4.35 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 0.82 0.00 0.00 0.87 0.00 0.00 122 G 6.95 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 0.00 123 T 7.19 5.21 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 1.14 0.00 0.00 124 A 8.89 5.10 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 A 8.93 4.94 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 0.00 126 R 8.67 4.68 0.00 1.74 1.92 0.00 3.21 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 127 V 8.83 4.35 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 0.94 0.00 0.00 0.89 0.00 0.00 128 Q 9.52 4.64 0.00 2.09 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.72 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 129 A 8.26 4.15 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 G 9.56 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 0.00 0.00 0.00 131 E 7.74 4.46 0.00 2.00 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 2.29 2.43 0.00 132 Q 8.36 4.69 0.00 1.91 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.99 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 133 L 8.97 4.05 0.00 1.59 1.45 0.62 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 134 F 7.77 5.34 0.00 2.56 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 0.00 135 T 9.21 5.06 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 0.76 0.00 0.00 136 A 9.25 5.15 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.82 5.15 0.00 2.30 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 0.00 138 C 8.92 5.32 0.00 3.05 2.99 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 0.00 139 N 9.07 4.98 0.00 2.86 2.82 0.00 0.00 6.41 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 0.00 140 V 8.41 3.70 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 1.01 0.00 0.00 1.04 0.00 0.00 141 E 8.19 4.13 0.00 2.03 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 2.32 2.35 0.00 142 D 8.66 4.77 0.00 2.66 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 0.00 143 A 7.53 3.90 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 0.00 144 E 7.97 4.08 0.00 1.83 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 2.33 2.28 0.00 145 H 8.14 4.37 0.00 3.19 3.16 0.00 5.62 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 0.00 146 V 7.43 3.26 1.72 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 0.66 0.00 0.00 0.14 0.00 0.00 147 K 7.68 3.92 0.00 1.73 1.86 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.45 1.61 7.81 148 E 7.77 3.93 0.00 2.12 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 2.21 2.10 0.00 149 A 7.58 3.81 1.18 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 0.00 150 F 7.85 4.38 0.00 3.13 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 0.00 151 R 7.54 2.65 0.00 1.80 1.85 0.00 3.25 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.65 0.00 152 R 7.51 3.86 0.00 1.86 1.83 0.00 3.00 0.00 0.00 3.06 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.65 0.00 153 A 7.71 3.98 1.30 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 0.00 0.00 154 Y 7.67 4.45 0.00 2.96 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 0.00 155 N 7.81 4.88 0.00 2.88 2.94 0.00 0.00 6.80 8.96 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 0.00 156 K 7.80 4.61 0.00 1.87 1.81 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.34 7.81 157 I 7.37 4.77 1.90 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 1.67 0.72 0.97 0.00 0.00 158 T 8.75 3.95 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 1.22 0.00 0.00 159 P 0.00 4.70 0.00 2.04 2.06 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 160 S 7.95 4.59 0.00 3.75 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 0.00 161 C 7.99 5.32 0.00 2.78 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 162 R 8.87 4.60 0.00 1.71 1.81 0.00 3.10 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 163 I 8.52 4.62 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.77 1.11 0.00 0.00 164 D 9.04 4.90 0.00 2.72 2.53 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 0.00 165 S 8.69 4.54 0.00 3.93 3.77 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 0.00 166 S 9.39 4.32 0.00 3.95 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 0.00 167 P 0.00 4.43 0.00 2.27 2.09 0.00 3.96 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 2.23 2.16 0.00 168 A 8.10 4.81 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 0.00 169 G 8.35 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 0.00 0.00 0.00 0.00 170 N 8.09 4.93 0.00 2.71 2.78 0.00 0.00 6.91 7.35 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 0.00 171 A 7.64 4.34 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 * Residues marked with a * may have inaccurate shift predictions.