NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 K 4.5778 8.3149 120.0857 56.3820 33.6258 174.6793 6 I 4.4932 9.2629 125.3848 58.5861 41.4535 169.0313 7 V 4.8852 9.0906 125.3846 61.3029 34.1319 173.8585 8 L 5.1509 8.6067 127.5180 53.0411 44.3577 175.7516 9 K 4.6329 8.7914 125.0521 55.0475 33.5763 176.9897 10 S 4.6045 8.4781 119.6970 57.4220 64.1371 174.3150 11 S 4.6294 8.6021 113.6584 58.5371 61.4584 174.0198 12 D 4.5665 7.9735 117.6892 52.4074 39.1902 174.7647 13 G 3.8794 8.4225 110.1192 47.8789 0.0000 173.5491 14 E 4.8837 8.0583 121.9005 54.5785 32.3592 174.2746 15 S 4.3905 8.4507 117.9887 59.1920 64.3741 173.8376 16 F 4.5588 8.7438 121.3777 55.5110 42.2317 173.9632 17 E 4.4886 8.9626 126.0677 55.9560 29.7608 176.0122 18 V 4.6954 8.6686 120.0223 59.3102 36.4207 175.7633 19 E 4.3659 8.6765 122.0768 55.8306 30.1299 176.7523 20 E 3.8194 8.5047 119.1603 60.4754 29.1739 178.8895 21 A 4.1598 7.7246 121.5940 54.3803 18.8622 179.4251 22 V 3.6397 7.6744 116.8219 66.0638 31.6387 177.7817 23 A 4.1024 7.8719 119.3817 54.1771 18.0235 178.5864 24 L 4.3449 7.2431 114.5704 55.6240 42.0101 177.7902 25 E 3.9488 7.7375 119.2798 58.9272 29.7786 177.0830 26 S 4.3749 7.7242 113.2454 57.2767 61.9988 174.4456 27 Q 4.2730 8.6281 126.9854 57.8042 28.6003 178.5256 28 T 4.0464 7.8612 115.6307 65.9183 69.1204 176.9272 29 I 3.9958 7.4892 120.9851 63.0345 37.3114 178.0742 30 A 4.0700 8.0778 122.3366 55.4798 18.0726 179.1718 31 H 4.3906 7.6237 109.6151 56.6633 28.4303 175.6516 32 M 4.8290 7.6605 117.6205 55.3920 32.9242 176.5666 33 V 4.2814 7.9013 108.9548 61.6789 31.3363 176.5326 34 E 4.2747 7.3538 119.7842 58.3717 30.3659 177.6175 35 D 4.6503 7.7987 119.4362 53.5297 38.8779 174.8889 36 D 4.9464 7.8552 121.6283 54.5486 38.8576 176.7612 37 C 4.4463 8.7120 122.8185 60.9850 28.4473 175.9110 38 V 3.7705 7.4587 120.2512 64.9202 31.4063 177.4549 39 D 4.3840 8.2886 118.8101 57.7484 40.6195 177.3672 40 N 4.7992 7.8929 113.2406 52.5555 38.8855 173.0326 41 G 4.0561 8.1321 111.2230 44.6408 0.0000 174.6287 42 V 3.8487 8.2514 122.3355 60.9080 32.4154 173.3394 43 P 4.9905 0.0000 0.0000 61.8482 32.5502 176.1039 44 L 4.8236 8.8523 125.3085 53.0143 41.7412 174.1675 45 P 4.7331 0.0000 0.0000 63.5446 31.5606 176.8493 46 N 4.6720 8.1759 113.0101 53.1589 39.5412 174.0429 47 V 4.2679 7.2296 119.1847 60.6285 33.3193 174.9299 48 T 4.2181 8.4059 121.3663 62.4510 69.0420 174.4687 49 S 4.1764 8.7760 122.7269 60.8729 62.1131 176.0662 50 K 3.9016 8.2599 121.9058 59.8085 31.6244 178.5412 51 I 3.7672 7.5152 119.1375 64.3378 37.3352 177.5790 52 L 3.7727 8.0738 121.1838 58.2435 41.6614 178.7254 53 A 3.9607 7.8549 120.3278 55.4578 18.2638 179.7698 54 K 4.1503 7.7381 115.6189 59.5823 32.0724 179.8808 55 V 3.7501 8.0672 118.7494 66.1976 31.5516 178.1879 56 I 3.7417 7.9553 119.6774 64.2748 36.9038 177.8150 57 E 4.0369 8.3910 120.2710 59.5579 29.4120 178.4553 58 Y 3.9179 7.8496 119.3828 60.9691 38.9316 177.6249 59 C 3.9535 8.1496 117.6904 62.5320 27.9648 175.5598 60 K 3.6931 8.4752 121.5169 60.0426 31.4572 178.6454 61 R 3.4887 7.2771 117.0776 59.5063 29.9159 177.9961 62 H 3.9841 7.5686 115.3895 58.4944 28.8583 177.5608 63 V 3.6871 7.7751 120.1578 65.5278 31.3590 177.1115 64 E 4.3267 7.6775 118.2323 56.7679 28.7338 176.9827 65 A 4.6495 7.8520 118.5061 51.9773 19.5839 178.7972 66 A 4.0935 7.9769 121.7078 56.5366 19.5437 180.8934 67 A 4.4074 7.3367 119.4517 51.6787 17.8672 179.2098 *80 D 4.6515 8.7038 114.1513 56.1060 43.1992 177.2880 81 D 4.3158 8.1208 118.2699 57.2990 41.5133 177.0553 82 D 4.7017 7.9857 116.1790 54.9898 41.7530 178.1905 83 L 4.0646 7.7514 120.9853 57.7286 41.8977 179.0971 84 K 4.1768 8.2524 117.4653 59.6665 31.8502 178.4814 85 A 4.0653 7.6104 119.0976 54.7543 18.3172 179.1743 86 W 4.2057 8.4407 125.1196 60.5970 30.7482 177.9562 87 D 4.5434 9.1358 118.8019 57.6265 40.1629 178.4709 88 A 4.0181 8.0204 119.9154 55.6835 18.1802 178.9965 89 D 4.3149 8.1600 116.0698 57.0949 41.0342 178.1326 90 F 3.9213 8.1046 120.8780 60.5975 39.3719 176.1420 91 M 4.1060 7.3048 116.2791 55.1429 33.5144 177.4758 92 K 4.2803 7.1637 119.0724 56.2126 29.5463 175.1746 93 I 4.5513 6.8576 113.6209 57.7080 41.4591 176.1719 94 D 4.4779 8.0582 120.2325 52.9687 41.3246 176.5865 95 Q 3.3813 8.4274 118.6600 59.2218 28.5480 179.0493 96 A 3.8222 7.7237 120.5663 55.9081 18.0631 179.7960 97 T 3.7495 7.6117 112.4025 66.4115 68.9687 176.0864 98 L 3.9766 7.7372 122.5835 58.4546 42.0044 179.1173 99 F 4.5218 7.8283 117.4123 60.8937 38.7346 177.5842 100 E 4.1166 8.1412 117.4575 58.8438 29.1219 179.4996 101 L 4.0759 7.8029 119.5738 57.5918 41.8388 178.9374 102 I 3.6699 7.8060 119.1579 64.6569 37.1014 177.9575 103 L 3.9382 8.0900 119.2518 58.1322 41.3837 179.8654 104 A 4.0624 7.7746 120.0037 55.2190 18.4494 179.5187 105 A 3.9641 8.6079 119.6717 55.3806 18.1816 179.3069 106 N 4.3976 8.2536 114.6560 56.4189 39.0635 176.3118 107 Y 4.4171 7.6050 120.2714 62.1258 39.4858 175.6247 108 L 4.1915 8.1837 120.1266 53.7473 43.8633 175.8982 109 N 4.9789 8.2670 112.0766 53.2446 38.9918 177.1118 110 I 4.2484 7.7496 121.1621 59.7269 36.8470 177.0828 111 K 4.0286 8.4575 127.5328 59.2404 31.0281 177.9830 112 N 4.5130 8.2054 116.9258 55.4596 36.9895 176.1663 113 L 3.9468 7.4756 120.3633 55.1634 42.6697 176.4587 114 L 4.6469 7.5026 116.7871 54.3078 44.1906 177.7387 115 D 4.5718 7.9243 117.4131 56.1047 41.1835 177.4852 116 L 4.5448 7.2874 117.9125 56.8547 43.1005 178.1830 117 T 3.8569 7.6902 109.0399 65.1153 68.9161 175.8466 118 C 4.1292 7.8851 120.1241 62.4286 28.2660 176.1591 119 Q 4.2299 8.1629 120.0564 59.2523 28.2944 178.4976 120 T 3.9102 7.4937 115.9496 66.5043 68.8724 176.6065 121 V 3.8617 7.9517 119.9578 66.0663 31.5443 177.8322 122 A 4.0709 8.6807 120.8122 55.4410 17.9455 179.3681 123 D 4.3471 7.9197 116.4405 57.5673 40.8881 178.5499 124 M 4.2551 7.8149 118.8252 58.0530 32.1395 178.6194 125 I 4.2669 7.8003 119.5975 63.4170 37.6815 174.5845 126 K 4.1534 7.8165 124.0269 60.3381 32.6487 175.2637 127 G 3.8504 8.7336 114.1372 45.6744 0.0000 173.1028 128 K 4.4322 8.5300 119.6953 56.1561 33.0099 176.8593 129 T 4.5192 7.9644 111.1478 59.8927 72.1681 173.8143 130 P 4.2973 0.0000 0.0000 65.7870 31.1308 178.5396 131 E 3.9245 8.1450 117.5594 59.3923 29.9165 178.2156 132 E 3.9203 7.9230 117.9262 60.4195 29.3093 179.1311 133 I 3.9681 8.1638 119.8665 64.1576 37.5189 178.0392 134 R 4.2379 8.4121 116.6232 58.8224 29.5228 178.8251 135 T 3.9555 8.2641 118.2481 66.7639 68.2681 176.4240 136 T 4.3130 7.6836 109.6867 61.8471 69.6945 175.3477 137 F 4.7089 8.2263 116.7035 57.4959 44.1085 173.8714 138 N 4.2014 8.1676 117.8624 54.1669 36.3278 171.7912 139 I 4.5382 8.6429 118.9984 58.5001 40.4438 175.8119 140 K 4.0073 8.5967 125.2275 56.1720 32.9731 176.2567 141 N 4.3263 8.7399 122.9540 53.8398 37.9817 173.1942 142 D 4.7683 8.0729 125.1829 52.9392 39.9511 176.3545 143 F 4.8138 8.3757 120.0750 57.5472 39.3462 176.5511 144 T 4.0936 8.6855 117.1464 61.4574 70.5324 173.5990 145 P 4.2393 0.0000 0.0000 65.4775 31.3714 179.0672 146 E 3.8814 8.0831 117.2396 59.5566 29.4675 178.4372 147 E 3.8453 7.8271 118.5612 59.7015 29.5888 178.8517 148 E 3.2025 8.2618 118.8588 59.3627 29.4885 178.9490 149 E 3.6864 7.8340 118.7240 59.0832 29.7703 178.0983 150 E 3.8971 8.4604 119.6466 59.3662 29.6732 178.7521 151 V 3.4479 7.8104 118.3929 66.0278 31.4722 177.8405 152 R 3.6676 8.0611 118.4757 59.4628 29.8309 178.2692 153 R 2.8190 8.1817 118.5733 59.1364 30.0396 178.4766 154 E 3.7083 8.4662 118.1407 59.8837 29.3670 179.5257 155 N 4.3900 8.3174 114.9325 55.6565 38.6455 176.4805 156 Q 4.5183 7.6453 116.7552 55.6679 30.3198 176.9534 157 W 4.8077 8.3319 119.0853 57.5121 30.2772 176.0687 158 A 4.2358 7.7115 117.8609 52.9969 20.1009 176.9063 159 F 4.8792 7.8550 121.2036 59.8179 38.8421 176.0605 160 E 4.6026 9.1174 125.5059 56.0448 29.9848 175.8895 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 5 K 8.31 4.58 0.00 1.67 1.83 0.00 1.66 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.49 7.81 6 I 9.26 4.49 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 1.12 1.20 0.92 0.00 0.00 7 V 9.09 4.89 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 1.05 0.00 0.00 0.96 0.00 0.00 8 L 8.61 5.15 0.00 1.69 1.58 0.91 0.80 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 9 K 8.79 4.63 0.00 1.78 1.81 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.46 1.43 7.81 10 S 8.48 4.60 0.00 4.03 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 11 S 8.60 4.63 0.00 3.97 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 12 D 7.97 4.57 0.00 2.84 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 13 G 8.42 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 14 E 8.06 4.88 0.00 2.02 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 2.32 2.50 0.00 15 S 8.45 4.39 0.00 3.72 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 16 F 8.74 4.56 0.00 3.16 2.95 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 17 E 8.96 4.49 0.00 1.97 1.90 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 2.30 2.42 0.00 18 V 8.67 4.70 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 0.93 0.00 0.00 1.02 0.00 0.00 19 E 8.68 4.37 0.00 2.06 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 2.39 2.36 0.00 20 E 8.50 3.82 0.00 2.06 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 2.37 2.45 0.00 21 A 7.72 4.16 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 22 V 7.67 3.64 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.90 0.00 0.00 23 A 7.87 4.10 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 24 L 7.24 4.34 0.00 1.84 1.70 0.90 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.74 3.95 0.00 2.02 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 2.32 2.37 0.00 26 S 7.72 4.37 0.00 3.89 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 27 Q 8.63 4.27 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.30 6.64 0.00 0.00 0.00 0.00 0.00 2.46 2.40 0.00 28 T 7.86 4.05 4.10 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 1.05 0.00 0.00 29 I 7.49 4.00 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.11 0.89 0.00 0.00 30 A 8.08 4.07 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 31 H 7.62 4.39 0.00 3.16 3.33 0.00 5.60 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 M 7.66 4.83 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 33 V 7.90 4.28 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 0.76 0.00 0.00 0.96 0.00 0.00 34 E 7.35 4.27 0.00 1.96 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 2.26 2.23 0.00 35 D 7.80 4.65 0.00 2.90 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 36 D 7.86 4.95 0.00 2.92 2.92 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 37 C 8.71 4.45 0.00 2.96 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 38 V 7.46 3.77 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.93 0.00 0.00 39 D 8.29 4.38 0.00 2.69 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 40 N 7.89 4.80 0.00 2.69 2.82 0.00 0.00 7.11 8.79 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 41 G 8.13 4.06 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 0.00 0.00 0.00 42 V 8.25 3.85 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.92 0.00 0.00 43 P 0.00 4.99 0.00 2.12 2.14 0.00 3.46 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.09 0.00 44 L 8.85 4.82 0.00 2.02 1.83 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.73 0.00 2.20 2.20 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 46 N 8.18 4.67 0.00 1.44 2.07 0.00 0.00 6.83 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 47 V 7.23 4.27 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 1.00 0.00 0.00 1.17 0.00 0.00 48 T 8.41 4.22 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 1.27 0.00 0.00 49 S 8.78 4.18 0.00 4.43 3.97 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 50 K 8.26 3.90 0.00 1.90 1.84 0.00 1.77 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.59 7.81 51 I 7.52 3.77 2.03 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.75 0.93 0.00 0.00 52 L 8.07 3.77 0.00 1.61 1.57 0.75 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.85 3.96 1.60 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 54 K 7.74 4.15 0.00 2.08 2.06 0.00 1.60 0.00 0.00 1.40 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.60 1.51 7.81 55 V 8.07 3.75 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 1.09 0.00 0.00 1.05 0.00 0.00 56 I 7.96 3.74 1.92 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.54 0.96 0.00 0.00 57 E 8.39 4.04 0.00 2.26 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 2.81 2.62 0.00 58 Y 7.85 3.92 0.00 2.61 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 59 C 8.15 3.95 0.00 3.04 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 60 K 8.48 3.69 0.00 1.94 1.90 0.00 1.56 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.42 7.81 61 R 7.28 3.49 0.00 0.85 1.20 0.00 2.76 0.00 0.00 2.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.04 0.00 62 H 7.57 3.98 0.00 2.82 3.13 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.78 3.69 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 1.07 0.00 0.00 0.99 0.00 0.00 64 E 7.68 4.33 0.00 1.96 1.82 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 2.25 2.27 0.00 65 A 7.85 4.65 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 66 A 7.98 4.09 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 67 A 7.34 4.41 1.10 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 0.00 0.00 *80 D 8.70 4.65 0.00 2.75 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 81 D 8.12 4.32 0.00 2.76 2.67 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 82 D 7.99 4.70 0.00 2.75 2.70 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 83 L 7.75 4.06 0.00 1.77 1.71 0.72 0.62 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 84 K 8.25 4.18 0.00 1.85 1.94 0.00 1.71 0.00 0.00 1.86 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.60 1.58 7.81 85 A 7.61 4.07 1.46 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 86 W 8.44 4.21 0.00 3.51 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 87 D 9.14 4.54 0.00 3.20 2.90 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 88 A 8.02 4.02 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 89 D 8.16 4.31 0.00 2.86 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 F 8.10 3.92 0.00 2.02 3.03 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 91 M 7.30 4.11 0.00 1.91 2.18 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.78 0.00 92 K 7.16 4.28 0.00 1.67 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.44 7.81 93 I 6.86 4.55 1.68 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 1.30 0.46 0.62 0.00 0.00 94 D 8.06 4.48 0.00 2.77 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 95 Q 8.43 3.38 0.00 1.85 1.54 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 2.24 2.26 0.00 96 A 7.72 3.82 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 97 T 7.61 3.75 4.39 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 1.08 0.00 0.00 98 L 7.74 3.98 0.00 1.60 1.49 0.89 1.33 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 99 F 7.83 4.52 0.00 3.07 2.95 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 0.00 100 E 8.14 4.12 0.00 2.10 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 2.50 2.51 0.00 101 L 7.80 4.08 0.00 1.98 1.70 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 102 I 7.81 3.67 2.07 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 1.67 0.82 0.92 0.00 0.00 103 L 8.09 3.94 0.00 1.87 1.75 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 104 A 7.77 4.06 1.46 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 0.00 105 A 8.61 3.96 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 0.00 106 N 8.25 4.40 0.00 2.84 2.90 0.00 0.00 7.19 7.10 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 0.00 107 Y 7.61 4.42 0.00 2.96 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 0.00 108 L 8.18 4.19 0.00 1.64 1.55 0.93 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 109 N 8.27 4.98 0.00 2.59 2.73 0.00 0.00 6.77 7.94 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 0.00 110 I 7.75 4.25 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.83 1.03 0.00 0.00 111 K 8.46 4.03 0.00 1.84 1.83 0.00 1.74 0.00 0.00 1.89 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.53 1.52 7.81 112 N 8.21 4.51 0.00 3.07 3.13 0.00 0.00 5.91 6.67 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 0.00 113 L 7.48 3.95 0.00 1.65 1.82 -0.06 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.50 4.65 0.00 1.77 1.56 0.93 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.92 4.57 0.00 2.72 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.29 4.54 0.00 1.83 1.72 1.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.69 3.86 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 0.00 118 C 7.89 4.13 0.00 3.18 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 0.00 119 Q 8.16 4.23 0.00 2.27 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.93 0.00 0.00 0.00 0.00 0.00 2.46 2.55 0.00 120 T 7.49 3.91 4.49 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 1.23 0.00 0.00 121 V 7.95 3.86 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 1.17 0.00 0.00 1.13 0.00 0.00 122 A 8.68 4.07 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 0.00 123 D 7.92 4.35 0.00 2.93 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 M 7.81 4.26 0.00 2.05 2.49 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.56 0.00 125 I 7.80 4.27 2.01 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.12 0.96 0.00 0.00 126 K 7.82 4.15 0.00 1.74 1.87 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.63 7.81 127 G 8.73 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 0.00 0.00 0.00 128 K 8.53 4.43 0.00 1.77 1.79 0.00 1.74 0.00 0.00 1.77 0.00 0.00 3.31 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.70 7.81 129 T 7.96 4.52 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 1.26 0.00 0.00 130 P 0.00 4.30 0.00 2.21 2.21 0.00 3.61 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 131 E 8.15 3.92 0.00 2.10 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 2.39 2.47 0.00 132 E 7.92 3.92 0.00 2.31 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 2.41 0.00 133 I 8.16 3.97 2.12 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 1.92 0.80 1.04 0.00 0.00 134 R 8.41 4.24 0.00 2.36 2.23 0.00 2.96 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 135 T 8.26 3.96 4.42 0.00 0.00 0.00 0.00 0.00 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 0.00 136 T 7.68 4.31 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 1.26 0.00 0.00 137 F 8.23 4.71 0.00 3.20 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 0.00 138 N 8.17 4.20 0.00 2.83 2.86 0.00 0.00 6.82 7.94 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 0.00 139 I 8.64 4.54 1.89 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 1.37 0.89 0.86 0.00 0.00 140 K 8.60 4.01 0.00 1.84 1.82 0.00 1.54 0.00 0.00 1.61 0.00 0.00 2.83 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.38 7.81 141 N 8.74 4.33 0.00 2.74 2.84 0.00 0.00 7.15 8.47 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 0.00 142 D 8.07 4.77 0.00 2.72 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 F 8.38 4.81 0.00 3.30 2.93 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 0.00 144 T 8.69 4.09 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 145 P 0.00 4.24 0.00 2.17 2.14 0.00 3.61 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 2.12 2.19 0.00 146 E 8.08 3.88 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 147 E 7.83 3.85 0.00 2.21 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 2.39 2.39 0.00 148 E 8.26 3.20 0.00 1.88 1.99 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 2.17 2.06 0.00 149 E 7.83 3.69 0.00 2.25 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 2.13 2.21 0.00 150 E 8.46 3.90 0.00 2.10 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 2.27 2.30 0.00 151 V 7.81 3.45 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 0.80 0.00 0.00 0.77 0.00 0.00 152 R 8.06 3.67 0.00 1.79 1.83 0.00 3.02 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.52 0.00 153 R 8.18 2.82 0.00 1.81 1.64 0.00 2.65 0.00 0.00 2.97 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.50 0.00 154 E 8.47 3.71 0.00 2.16 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 2.30 2.47 0.00 155 N 8.32 4.39 0.00 2.79 2.84 0.00 0.00 6.99 7.58 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 0.00 156 Q 7.65 4.52 0.00 1.89 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 157 W 8.33 4.81 0.00 3.37 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 0.00 158 A 7.71 4.24 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 F 7.85 4.88 0.00 3.11 2.96 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 0.00 160 E 9.12 4.60 0.00 2.07 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 2.14 2.20 0.00 * Residues marked with a * may have inaccurate shift predictions.