NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 Q 4.2289 8.3444 121.7101 55.1388 30.9793 175.0253 3 V 4.2611 7.5727 116.5690 59.9881 33.7174 173.1861 4 S 4.5495 8.4873 122.3539 57.7514 64.2002 174.0077 5 T 4.3165 8.2948 113.7550 61.8791 69.5429 174.4819 6 E 4.7774 7.8156 119.7155 53.7467 32.1843 175.5423 7 F 4.1173 8.7573 122.9537 58.2811 40.0073 174.5503 8 I 4.1741 6.9727 127.7160 58.3895 38.8759 173.5496 9 P 4.3581 0.0000 0.0000 63.0595 31.9809 176.1523 10 T 4.6106 8.7891 113.1169 60.1151 72.4290 173.5112 11 R 4.7330 8.3732 121.6212 55.3495 31.5115 175.2891 12 I 4.8986 8.6878 125.5917 59.2723 40.1071 174.7345 13 A 4.6718 8.6013 127.8591 49.9111 21.7410 175.1591 14 I 4.8804 8.2139 122.0302 59.3265 40.6303 174.5312 15 L 5.4541 9.2177 127.9157 53.6977 45.6267 174.9106 16 T 4.9080 8.9318 122.6971 61.8217 71.0742 173.3033 17 V 4.6576 8.0455 127.0984 61.8422 32.6543 175.0494 18 S 4.6709 8.6136 119.6391 58.2235 65.3719 176.3754 19 N 4.5553 9.4644 125.3276 55.5894 38.8373 176.5682 20 R 4.2562 7.9472 113.0400 57.8023 30.6491 177.2025 21 R 4.0498 7.6024 116.1344 56.3549 30.6918 175.8408 22 G 4.2818 9.5488 110.7099 43.1572 0.0000 173.3910 23 E 3.9141 8.9691 119.5800 59.6430 29.7377 179.8835 24 E 4.0212 8.4437 116.4672 59.1496 29.5200 177.9645 25 D 4.8922 7.8276 115.8306 53.4778 40.3368 177.6115 26 D 4.6303 7.4723 120.7274 54.2259 38.0668 176.0276 27 T 3.9703 7.6362 120.6194 66.4090 69.0551 176.2491 28 S 4.3276 8.1018 116.8752 61.2970 62.9739 176.7147 29 G 3.9253 8.6012 110.2398 47.6794 0.0000 175.5042 30 H 4.2820 8.2751 119.0530 58.5729 28.8064 177.1971 31 Y 3.9875 8.2968 121.5389 60.7549 38.5373 178.3462 32 L 3.2567 7.9896 119.7796 57.3381 41.6025 179.3260 33 R 3.6639 7.6931 118.5904 59.5849 29.9409 178.2793 34 D 4.1955 8.0077 118.6560 57.4040 40.8385 179.0551 35 S 3.7858 7.5696 115.5602 61.1919 62.7485 176.5407 36 A 3.8655 7.3475 123.6251 55.2797 18.1437 179.7060 37 Q 4.1815 8.0091 118.0008 58.6647 28.5861 178.7852 38 E 3.9224 8.2133 119.0629 58.9034 29.7166 178.0953 39 A 4.1532 7.7891 119.1271 52.5172 18.7978 177.9569 40 G 3.7355 7.7192 104.2428 45.1528 0.0000 174.0113 41 H 4.6917 8.3088 117.0875 55.9578 30.5823 173.8284 42 H 4.8206 8.5584 117.2765 54.4859 30.6516 174.5153 43 V 4.3737 8.4131 123.9210 62.1355 31.3951 175.7617 44 V 4.1114 8.4187 121.7672 62.0175 32.3420 175.7102 45 D 4.5990 7.5841 118.2080 53.6354 44.5168 173.9805 46 K 5.2166 8.5913 122.8153 55.5398 35.3021 174.4347 47 A 4.9211 9.3751 127.6534 50.7015 23.5192 174.6490 48 I 4.9660 8.3131 118.8767 59.7530 40.2690 175.6142 49 V 4.5742 8.8422 119.7337 58.9563 35.8867 175.4133 50 K 4.5616 8.3842 120.8127 55.7942 33.4848 178.1509 51 E 4.3289 8.5149 118.7274 56.8348 29.0743 176.4278 52 N 4.5833 8.5289 119.3830 52.6538 39.9203 175.9596 53 R 3.6889 8.3858 125.3024 59.7252 30.0695 178.1583 54 Y 4.1026 7.3054 115.7181 60.5780 38.1332 177.7042 55 A 4.0087 8.7270 122.3866 54.9945 18.5017 179.7498 56 I 3.5779 7.6911 118.3619 64.6655 37.1642 178.9187 57 R 3.8740 7.9192 118.6512 58.9682 29.8378 179.1131 58 A 3.8806 7.9193 120.6467 55.0941 18.5266 179.5350 59 Q 3.3664 7.6408 117.6356 59.2375 29.1386 178.5548 60 V 3.6302 7.5135 119.1921 66.0646 31.5016 178.1880 61 S 4.1614 8.2814 114.9370 61.2088 62.4627 176.4576 62 A 3.9683 7.6951 123.1965 55.0858 17.9207 179.8163 63 W 4.4590 7.6665 115.7383 59.8918 29.1407 178.6318 64 I 4.0078 8.1324 120.5215 63.5041 36.6405 177.6690 65 A 4.3150 7.9470 120.0781 52.6023 18.8916 177.9190 66 S 4.4221 6.9938 111.8572 58.0426 63.9098 174.3751 67 D 4.5250 8.6347 121.5733 56.6327 40.9518 177.4106 68 D 4.5463 7.9409 116.8771 54.2115 40.5127 176.7435 69 V 3.7133 7.4050 120.6437 62.6669 31.7672 175.2160 70 Q 4.4298 8.8304 126.4302 56.8185 30.7734 175.9646 71 V 4.7642 7.4802 117.9697 60.9446 35.4442 174.1291 72 V 4.7069 9.1931 127.5239 61.1084 34.1583 173.8737 73 L 5.1689 8.9034 128.4784 53.1737 44.0487 175.4566 74 I 5.1185 9.0398 125.1798 59.6549 40.7400 174.4622 75 T 4.4820 9.0654 120.9622 61.4367 70.0011 174.2942 76 G 4.1241 8.8964 114.1647 46.9415 0.0000 173.2970 77 G 3.8811 8.8730 107.2832 45.9909 0.0000 174.7422 78 T 4.3389 7.6965 107.7943 60.9112 69.3813 174.8721 79 G 4.4592 7.7718 111.5410 45.6531 0.0000 173.3185 80 L 4.4552 8.2473 117.2518 54.6426 41.7584 177.3198 81 T 4.3181 8.0572 110.7088 60.6270 70.3271 174.0099 82 E 4.0548 8.7137 121.3760 59.1276 29.6772 177.8828 83 G 3.6988 7.8026 105.1689 46.4731 0.0000 173.3205 84 D 4.5020 7.9404 119.8858 54.5070 40.2697 176.2801 85 Q 4.7441 8.6638 123.0623 53.8896 29.9380 176.9660 86 A 3.9461 7.9628 123.8455 55.0443 18.4283 178.2732 87 P 4.1607 0.0000 0.0000 65.8111 30.9452 178.7609 88 E 3.8887 8.0932 116.6637 59.2786 29.1710 179.1509 89 A 3.8938 8.0894 120.4792 54.7087 18.6619 179.2596 90 L 3.8691 7.9020 117.3070 57.2581 42.0837 179.0216 91 L 3.2636 7.4481 119.2251 57.3161 41.4362 177.9135 92 P 4.3472 0.0000 0.0000 64.8474 31.3968 177.4511 93 L 4.2516 7.6028 118.0718 55.0677 42.2948 177.0485 94 F 4.7676 7.0894 117.5880 57.5534 39.5803 175.2754 95 D 4.6353 9.2682 124.8874 56.8481 41.2941 177.1084 96 R 4.7864 7.5155 115.3568 54.6835 34.9315 173.6783 97 E 4.4869 8.7339 121.9547 54.8200 31.8213 176.4303 98 V 4.1746 7.9895 127.1624 61.1321 29.8107 175.7016 99 E 4.2027 8.7027 125.4919 58.9710 29.6464 178.6317 100 G 3.8149 8.2525 105.1761 47.4397 0.0000 175.3827 101 F 4.4301 8.4734 123.1363 61.4653 39.5048 177.4396 102 G 3.6506 8.3258 104.8397 47.7254 0.0000 175.2761 103 E 3.9525 7.6722 118.8183 59.4213 29.6768 179.3626 104 V 3.7144 7.6474 116.7486 65.6884 31.8210 177.6036 105 F 4.2003 8.1538 120.5305 61.0950 39.1884 179.1799 106 R 3.9625 8.0307 117.1655 56.2043 29.7447 178.7726 *108 L 4.1791 7.9531 120.6347 54.8948 43.8028 179.4189 109 S 3.8483 8.1352 112.8771 60.9839 62.0556 175.9438 110 F 4.3295 8.4400 123.9541 61.4238 38.9005 177.0360 111 E 3.8439 8.0943 116.6236 58.7269 29.3340 178.3480 112 E 4.1431 7.5433 119.1405 58.0181 30.1036 177.4967 113 I 4.3407 7.6904 109.0717 61.5685 39.2247 177.4287 114 G 3.4400 8.1989 109.3537 45.9409 0.0000 175.0001 115 T 4.2524 8.4123 109.0006 64.5634 68.6940 176.0622 116 S 4.2948 8.1376 117.9084 60.8769 62.6789 175.8288 117 T 4.1075 8.1028 112.8316 64.0454 68.2986 176.1979 118 L 4.1283 7.9794 121.2860 57.0974 42.0229 178.2577 119 Q 4.2815 8.1839 117.2208 56.0088 28.8976 175.4505 120 S 5.0795 7.3126 115.9598 56.8294 66.4399 174.0652 121 R 4.8971 8.1815 119.7980 54.8602 29.0692 176.2530 122 A 4.5035 8.0772 120.1226 53.0586 19.4692 178.7860 123 V 4.8462 8.7943 118.6651 60.8556 35.3339 172.6443 124 A 4.9256 8.6019 122.7338 50.7169 23.1671 174.7423 125 G 2.7643 7.6137 105.1743 45.1423 0.0000 172.2362 126 V 4.8085 8.1041 118.9823 60.7979 35.0184 174.2742 127 A 4.9102 8.5952 128.5804 50.6147 22.3298 175.5994 128 N 4.0847 10.6281 122.8846 54.7892 37.9661 175.1691 129 K 3.9251 8.2712 112.7263 56.6485 30.1861 176.0784 130 T 4.3968 8.0660 117.8976 62.7017 69.8300 173.6837 131 L 4.1415 8.5776 129.4648 54.3403 43.7309 175.3724 132 I 4.8559 8.1117 126.4540 59.4751 40.8263 174.1963 133 F 4.7230 9.2088 125.9094 55.4521 41.6468 174.4060 134 A 5.5249 9.2456 125.7803 48.6957 22.0067 173.7478 *136 P 4.4190 0.0000 0.0000 62.2487 32.4416 177.1850 137 G 3.9631 8.5404 107.1465 48.3895 0.0000 175.0794 138 S 4.1563 8.0761 114.5268 59.1917 63.8356 175.1077 139 T 3.9149 8.4674 125.0325 66.3467 68.3734 177.0441 140 K 3.8170 7.9963 121.1004 59.2504 32.2041 178.4762 141 A 4.2329 7.9955 120.8979 55.5895 18.3541 179.3663 142 C 4.2138 8.0930 115.0690 63.1636 28.1913 176.6357 143 R 4.5015 7.9296 121.0107 59.0374 29.4428 179.3185 144 T 3.9528 8.2760 115.4160 66.5278 68.4019 176.7373 145 A 4.2627 8.6078 122.9084 54.9153 18.3996 179.4855 146 W 4.1001 8.8881 127.2812 60.8995 30.6923 178.1566 147 E 3.9094 8.3385 117.1471 59.0159 29.0626 177.8061 148 N 4.7313 7.8823 114.0184 53.7833 39.6204 174.9796 149 I 4.4689 7.4734 116.4307 63.0576 40.0386 177.7329 150 I 3.3931 8.1572 120.4680 64.2643 37.2237 178.4980 151 A 3.0215 7.0984 122.0403 54.4112 18.2540 176.9855 152 P 4.3321 0.0000 0.0000 65.8021 31.6863 178.5754 153 Q 4.1404 7.7590 114.8877 57.7543 28.8778 177.2534 154 L 4.3838 7.5272 116.2573 54.7402 42.2158 175.8346 155 D 4.6068 7.7623 120.4549 52.3618 41.4086 176.7407 156 A 3.9204 8.4036 130.6996 54.8299 18.4211 178.4357 157 R 4.6915 7.9799 112.2972 56.1278 30.5717 176.7867 158 T 4.0510 8.0005 116.8828 63.3557 68.6396 174.3207 159 R 4.5304 8.2883 125.9419 54.2004 31.6865 175.0294 160 P 4.4382 0.0000 0.0000 65.1289 31.9569 175.7775 161 C 4.6738 7.5472 111.4332 57.2071 32.1643 172.1567 162 N 4.7448 7.8833 116.2971 51.9415 39.6079 173.9342 163 F 4.3003 8.8497 115.6959 60.5922 39.2749 177.4144 164 H 3.8991 7.9639 119.6086 58.8540 30.2223 174.5511 165 P 4.0613 0.0000 0.0000 65.4880 31.0602 176.5600 166 H 4.8231 8.0715 114.0941 55.4704 29.1049 175.1997 167 L 4.2653 7.5541 119.7707 53.4920 42.2348 176.6327 168 K 3.6562 8.4094 121.5956 58.1495 32.5201 176.7051 169 K 4.2321 8.6489 123.0729 57.0295 31.7659 175.7976 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 Q 8.34 4.23 0.00 2.00 2.18 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 2.32 2.39 0.00 3 V 7.57 4.26 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 0.85 0.00 0.00 0.91 0.00 0.00 4 S 8.49 4.55 0.00 3.84 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 5 T 8.29 4.32 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 6 E 7.82 4.78 0.00 2.09 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 2.17 2.18 0.00 7 F 8.76 4.12 0.00 2.98 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 8 I 6.97 4.17 1.50 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.77 0.78 0.00 0.00 9 P 0.00 4.36 0.00 1.84 2.02 0.00 3.58 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 2.12 2.46 0.00 10 T 8.79 4.61 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 1.19 0.00 0.00 11 R 8.37 4.73 0.00 1.85 1.90 0.00 3.15 0.00 0.00 3.36 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 12 I 8.69 4.90 1.80 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 1.14 0.69 0.81 0.00 0.00 13 A 8.60 4.67 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.21 4.88 1.82 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.75 0.90 0.00 0.00 15 L 9.22 5.45 0.00 2.17 1.68 0.96 0.61 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 16 T 8.93 4.91 4.26 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 1.22 0.00 0.00 17 V 8.05 4.66 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 0.72 0.00 0.00 0.94 0.00 0.00 18 S 8.61 4.67 0.00 3.83 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 19 N 9.46 4.56 0.00 2.78 2.86 0.00 0.00 6.97 7.59 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 20 R 7.95 4.26 0.00 1.91 2.05 0.00 3.08 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 21 R 7.60 4.05 0.00 1.82 1.96 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.98 0.00 22 G 9.55 4.28 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 0.00 23 E 8.97 3.91 0.00 2.03 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 0.00 2.44 2.35 0.00 24 E 8.44 4.02 0.00 1.97 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 2.33 2.27 0.00 25 D 7.83 4.89 0.00 2.81 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 26 D 7.47 4.63 0.00 2.78 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.64 3.97 4.26 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 1.25 0.00 0.00 28 S 8.10 4.33 0.00 3.90 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.60 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 H 8.28 4.28 0.00 3.35 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Y 8.30 3.99 0.00 3.12 3.18 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 32 L 7.99 3.26 0.00 1.59 1.41 0.95 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 33 R 7.69 3.66 0.00 1.81 1.99 0.00 3.06 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 34 D 8.01 4.20 0.00 2.55 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.57 3.79 0.00 2.72 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 36 A 7.35 3.87 1.07 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 37 Q 8.01 4.18 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.34 2.42 0.00 38 E 8.21 3.92 0.00 1.89 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 0.00 2.31 2.30 0.00 39 A 7.79 4.15 1.61 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 40 G 7.72 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 0.00 0.00 0.00 41 H 8.31 4.69 0.00 3.39 3.44 0.00 5.60 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 H 8.56 4.82 0.00 3.12 3.18 0.00 5.60 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 43 V 8.41 4.37 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 0.70 0.00 0.00 0.84 0.00 0.00 44 V 8.42 4.11 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 0.66 0.00 0.00 0.83 0.00 0.00 45 D 7.58 4.60 0.00 2.61 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 0.00 0.00 0.00 0.00 46 K 8.59 5.22 0.00 1.76 1.65 0.00 1.80 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.48 7.81 47 A 9.38 4.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 I 8.31 4.97 1.89 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 1.36 0.74 1.00 0.00 0.00 49 V 8.84 4.57 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 0.00 0.00 0.91 0.00 0.00 50 K 8.38 4.56 0.00 1.68 1.73 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.53 1.42 7.81 51 E 8.51 4.33 0.00 1.95 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 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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 0.00 0.00 1.08 0.00 0.00 1.02 0.00 0.00 61 S 8.28 4.16 0.00 3.92 3.88 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 62 A 7.70 3.97 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 63 W 7.67 4.46 0.00 3.60 3.07 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 64 I 8.13 4.01 2.07 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 1.48 1.16 0.95 0.00 0.00 65 A 7.95 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 66 S 6.99 4.42 0.00 4.02 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 67 D 8.63 4.53 0.00 2.71 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 68 D 7.94 4.55 0.00 2.77 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 77 G 8.87 3.88 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 0.00 0.00 0.00 78 T 7.70 4.34 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 1.25 0.00 0.00 79 G 7.77 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 L 8.25 4.46 0.00 1.66 1.71 1.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.06 4.32 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 1.24 0.00 0.00 82 E 8.71 4.05 0.00 1.93 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 0.00 2.29 2.37 0.00 83 G 7.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 7.94 4.50 0.00 2.73 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 85 Q 8.66 4.74 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.33 2.10 0.00 86 A 7.96 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 P 0.00 4.16 0.00 2.16 2.13 0.00 3.59 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 88 E 8.09 3.89 0.00 2.11 1.91 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 2.35 2.39 0.00 89 A 8.09 3.89 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 90 L 7.90 3.87 0.00 1.38 1.24 1.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 L 7.45 3.26 0.00 1.53 1.64 0.93 0.82 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 92 P 0.00 4.35 0.00 2.16 2.11 0.00 3.47 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 93 L 7.60 4.25 0.00 1.62 1.76 0.87 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 94 F 7.09 4.77 0.00 3.14 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 95 D 9.27 4.64 0.00 2.76 2.73 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 96 R 7.52 4.79 0.00 1.65 1.74 0.00 3.08 0.00 0.00 3.26 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.62 0.00 97 E 8.73 4.49 0.00 2.11 1.88 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 2.34 2.54 0.00 98 V 7.99 4.17 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 1.08 0.00 0.00 0.83 0.00 0.00 99 E 8.70 4.20 0.00 2.14 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 100 G 8.25 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 0.00 101 F 8.47 4.43 0.00 3.41 3.35 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 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3.84 0.00 2.07 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.41 0.00 112 E 7.54 4.14 0.00 1.84 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 2.23 2.25 0.00 113 I 7.69 4.34 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.81 0.88 0.00 0.00 114 G 8.20 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 0.00 0.00 0.00 115 T 8.41 4.25 4.34 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 1.38 0.00 0.00 116 S 8.14 4.29 0.00 3.90 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 0.00 117 T 8.10 4.11 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 1.41 0.00 0.00 118 L 7.98 4.13 0.00 1.68 1.80 0.93 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 8.18 4.28 0.00 2.24 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.72 0.00 0.00 0.00 0.00 0.00 2.41 2.57 0.00 120 S 7.31 5.08 0.00 3.94 3.85 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 0.00 121 R 8.18 4.90 0.00 1.80 1.91 0.00 3.21 0.00 0.00 3.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.66 0.00 122 A 8.08 4.50 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 0.00 123 V 8.79 4.85 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 0.88 0.00 0.00 1.17 0.00 0.00 124 A 8.60 4.93 0.73 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 0.00 125 G 7.61 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 0.00 0.00 0.00 126 V 8.10 4.81 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.76 0.00 0.00 127 A 8.60 4.91 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 0.00 128 N 10.63 4.08 0.00 2.80 2.97 0.00 0.00 7.34 7.31 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 0.00 129 K 8.27 3.93 0.00 1.95 2.02 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.44 7.81 130 T 8.07 4.40 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 1.25 0.00 0.00 131 L 8.58 4.14 0.00 1.53 1.17 -0.25 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 132 I 8.11 4.86 1.76 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 1.28 0.52 1.04 0.00 0.00 133 F 9.21 4.72 0.00 2.78 2.40 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 0.00 134 A 9.25 5.52 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *136 P 0.00 4.42 0.00 2.30 2.20 0.00 3.46 0.00 0.00 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 137 G 8.54 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 S 8.08 4.16 0.00 3.94 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 0.00 139 T 8.47 3.91 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 0.99 0.00 0.00 140 K 8.00 3.82 0.00 1.78 1.80 0.00 1.93 0.00 0.00 1.80 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.63 1.49 7.81 141 A 8.00 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 142 C 8.09 4.21 0.00 3.18 3.23 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 0.00 143 R 7.93 4.50 0.00 1.92 1.97 0.00 3.01 0.00 0.00 3.21 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.07 0.00 144 T 8.28 3.95 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 1.20 0.00 0.00 145 A 8.61 4.26 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 0.00 0.00 146 W 8.89 4.10 0.00 3.57 3.39 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 0.00 147 E 8.34 3.91 0.00 2.19 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 2.58 2.79 0.00 148 N 7.88 4.73 0.00 2.82 2.88 0.00 0.00 6.84 7.40 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 0.00 149 I 7.47 4.47 2.20 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 1.49 1.39 1.19 0.00 0.00 150 I 8.16 3.39 1.55 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.69 0.35 0.00 0.00 151 A 7.10 3.02 0.28 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 0.00 152 P 0.00 4.33 0.00 2.14 2.07 0.00 3.38 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 153 Q 7.76 4.14 0.00 2.31 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.58 0.00 154 L 7.53 4.38 0.00 1.59 1.66 0.92 1.06 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 0.00 155 D 7.76 4.61 0.00 2.87 2.71 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 0.00 156 A 8.40 3.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 R 7.98 4.69 0.00 1.96 1.99 0.00 3.17 0.00 0.00 3.14 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.57 0.00 158 T 8.00 4.05 4.28 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 1.24 0.00 0.00 159 R 8.29 4.53 0.00 1.78 1.83 0.00 3.19 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 160 P 0.00 4.44 0.00 2.15 2.16 0.00 3.75 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 1.95 1.93 0.00 161 C 7.55 4.67 0.00 2.97 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 0.00 162 N 7.88 4.74 0.00 3.01 2.78 0.00 0.00 6.10 7.43 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 0.00 163 F 8.85 4.30 0.00 3.17 3.09 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 0.00 164 H 7.96 3.90 0.00 3.11 3.22 0.00 5.69 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 P 0.00 4.06 0.00 2.11 2.10 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 166 H 8.07 4.82 0.00 3.23 3.38 0.00 5.65 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 L 7.55 4.27 0.00 1.67 1.58 0.93 0.53 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 0.00 168 K 8.41 3.66 0.00 1.69 1.74 0.00 1.95 0.00 0.00 1.83 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.50 7.81 169 K 8.65 4.23 0.00 1.96 1.83 0.00 1.85 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.35 1.39 7.81 * Residues marked with a * may have inaccurate shift predictions.