NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.4218 8.1844 120.9895 54.9766 41.7578 176.1048 1 V 3.5085 8.4391 121.4071 63.3552 31.8790 174.2261 2 K 4.3723 9.0323 126.4685 57.1959 35.2977 175.7600 3 K 4.9588 8.0107 121.4553 54.4959 34.7120 175.1859 4 V 4.9656 9.0088 127.2359 61.0106 35.2132 173.6775 5 L 5.0774 8.9755 130.0442 53.3842 43.9406 174.6641 6 L 5.0698 9.1497 130.3338 54.3935 43.5091 175.2001 7 I 5.1483 8.8810 127.3542 59.6800 40.4024 174.3686 8 N 5.5135 9.1692 123.1226 51.7846 41.9884 175.1793 9 G 4.3453 8.8389 113.0901 43.6839 0.0000 171.5215 10 P 4.4141 0.0000 0.0000 64.4112 31.6475 176.7149 11 N 4.6873 9.5539 118.1748 53.9203 38.3726 176.8996 12 L 4.0425 7.7753 117.8904 57.2665 41.8833 178.7948 13 N 4.1812 8.2883 115.3029 55.8882 37.0051 175.6944 14 L 4.2245 8.2215 117.6845 55.2863 42.2678 176.6393 15 L 4.3449 8.0980 121.4242 55.2756 41.0561 176.4830 16 G 4.1754 7.7905 110.2968 44.1526 0.0000 172.5100 17 T 4.1167 8.6512 123.2835 64.9229 69.2735 177.0791 18 R 3.9086 7.8973 121.0791 59.1099 30.3135 176.6348 *23 Y 4.4766 7.7176 114.8874 56.6824 40.4942 173.9847 24 G 3.9499 7.4844 107.7288 44.3635 0.0000 173.6544 25 T 4.3018 8.0704 106.3357 62.0957 67.2556 174.6585 26 T 4.2957 7.7950 120.3388 63.8242 68.6324 174.8522 27 S 5.4573 9.2090 124.1511 56.2618 66.1057 174.8866 28 L 3.8625 8.2331 123.5224 58.2902 41.7890 178.9971 29 S 4.0145 7.9362 112.5868 61.4853 62.2822 175.4169 30 D 4.3819 8.0355 121.5302 57.7397 40.5534 179.2474 31 I 3.6747 7.3958 119.7388 64.2999 37.0483 178.3158 32 E 3.9060 8.2032 119.5128 59.4714 29.2051 179.4883 33 Q 3.9543 8.2184 117.9221 58.8464 28.6890 178.6622 34 A 4.0218 7.7760 121.6266 54.8385 17.9428 179.5926 35 A 3.9284 8.0042 119.3288 55.3188 18.5083 179.6520 36 I 3.6741 7.8512 118.4403 64.9242 37.3427 178.4821 37 E 3.9907 8.5755 119.4647 59.3025 28.6820 179.0999 38 Q 3.9449 8.4108 119.8822 59.3041 28.6307 178.3304 39 A 4.2451 7.7401 120.2282 54.2312 18.9382 179.6235 40 K 3.7749 8.0332 117.4787 59.6118 31.8558 179.3748 41 L 4.1296 7.7442 118.1290 57.1903 41.8637 179.1585 42 K 3.9587 7.7026 118.1998 57.2473 31.7050 177.4393 43 N 4.1234 7.7406 113.9066 54.2653 38.5447 173.6755 44 N 4.6728 8.0410 112.5051 53.6186 37.6194 175.1600 45 D 4.7851 8.2102 116.8248 54.6404 37.9335 174.8191 46 S 4.7206 7.8708 114.9446 59.0383 63.7483 173.2610 47 E 4.6923 9.1364 121.3228 55.0833 33.4936 174.1673 48 V 4.8315 8.3090 125.3510 61.1018 33.3917 175.0070 49 L 4.4823 8.7516 128.5743 54.6443 43.0992 176.7048 50 V 5.1012 8.2314 113.3579 59.8546 35.3612 174.8434 51 F 5.0148 9.3126 125.3323 56.8658 43.2844 172.9011 52 Q 5.1408 7.3347 123.4808 53.9961 32.0485 173.5255 53 S 4.5994 8.3543 117.9815 57.7308 65.1833 173.5563 54 N 4.5725 8.8947 119.9066 53.9017 39.5649 175.3623 55 T 4.3138 7.5784 116.4916 62.1144 68.7503 174.7824 56 E 3.6671 8.9213 128.0650 59.4179 29.5509 178.8808 57 G 3.8630 8.0432 104.8550 48.2730 0.0000 175.3296 58 F 4.8897 8.1760 121.0191 59.8210 38.8771 177.9729 59 I 3.9168 7.9439 119.2339 64.1977 36.9744 178.2874 60 I 3.5883 7.7824 120.7777 64.3552 36.5306 177.9338 61 D 4.1919 8.4390 120.0710 57.4538 40.6475 179.0999 62 R 3.7249 7.7174 118.7872 59.3831 29.8589 178.3830 63 I 3.6237 7.9385 119.9896 64.8662 36.5884 177.9674 64 H 4.2056 8.2765 116.9076 59.1151 28.5051 177.7509 65 E 3.9674 8.2022 120.0534 59.1875 29.2828 179.0419 66 A 3.9709 8.1438 121.0224 55.0737 18.3436 179.5728 67 K 3.8787 7.8133 118.1827 59.7621 32.0753 179.1104 68 R 4.0230 7.5054 117.2943 58.3611 29.9499 177.2718 69 Q 4.6222 7.8960 116.0996 55.5607 29.4264 175.8063 70 G 3.8808 7.8815 106.6587 46.9045 0.0000 174.7083 71 V 3.6814 7.8414 119.7148 62.9600 31.8024 176.0273 72 G 4.1108 8.7800 113.9852 47.2592 0.0000 173.5255 73 F 4.9125 8.1051 121.2354 56.3751 43.6517 173.2511 74 V 4.8998 8.4006 123.9899 61.1716 34.3169 174.1269 75 V 4.7914 8.7612 128.0981 61.4209 33.6222 174.2884 76 I 5.0490 9.1389 128.0246 59.4405 41.7161 173.0485 77 N 5.3258 9.4588 128.2356 51.2622 40.2367 174.5087 78 A 4.4169 8.8276 128.9565 51.3921 20.5281 178.1440 79 G 3.6870 8.4229 106.3478 45.8340 0.0000 175.8040 80 A 4.0914 8.7081 120.6157 55.9319 18.0873 178.9770 81 Y 4.5104 7.5793 114.1885 61.5086 37.7530 179.0695 82 T 3.9429 8.2545 116.8135 66.1571 68.2680 174.9856 83 H 4.8953 8.5292 115.9254 55.8762 29.7887 175.2236 84 T 4.6530 7.9446 108.2329 61.1242 70.2176 173.6909 85 S 4.5363 8.4132 117.1481 56.0593 61.5741 174.3155 86 V 3.0973 7.7218 127.9325 64.6363 31.4662 177.7834 87 G 3.4593 7.7030 105.4780 47.8997 0.0000 175.7236 88 I 3.6698 7.9089 122.5578 63.8539 36.9831 178.4582 89 R 3.7619 7.4084 119.2343 59.7008 30.0397 178.4643 90 D 4.3550 8.2691 118.0459 56.7238 40.6970 178.7652 91 A 4.0191 7.6991 121.5356 55.1429 18.5960 179.6867 92 L 3.9357 7.8328 117.5581 57.7615 41.4810 179.7204 93 L 4.1621 8.3858 119.6135 57.8289 41.3646 179.8008 94 G 3.6526 8.0663 104.7014 46.8547 0.0000 174.8737 95 T 4.3203 7.8487 109.1239 60.1886 69.6738 174.1549 96 A 3.7529 7.4100 123.4632 53.5487 16.8116 177.1661 97 I 4.4326 7.3797 119.9304 60.0193 38.7584 175.3942 98 P 4.3731 0.0000 0.0000 63.0596 32.6484 175.1148 99 F 5.0351 7.4326 114.5967 55.7548 41.4671 172.7287 100 I 4.8876 8.8737 121.0296 59.5401 40.1496 174.2349 101 E 4.8207 9.0427 128.3413 55.5579 30.4303 175.0189 102 V 4.5123 8.8582 127.3555 61.3600 34.5843 173.8864 103 H 5.0455 8.6586 123.5033 53.9886 31.8536 174.1817 104 I 3.9817 8.8073 124.6966 64.1483 37.8964 176.2377 105 T 4.7196 7.7371 108.8720 59.4206 71.2698 173.5919 106 N 4.5395 8.3056 120.4829 52.3143 38.2773 175.2984 107 V 3.4520 8.2626 127.0111 66.2186 31.6430 177.5042 108 H 4.0867 7.8181 114.4445 57.4871 28.5642 175.9187 109 Q 4.2097 7.9587 117.9512 56.9597 29.2587 175.8692 110 R 4.6219 7.3723 117.4451 54.3241 32.6032 175.0426 111 E 3.7921 8.4646 117.7723 57.1656 29.9982 176.4278 112 P 3.7599 0.0000 0.0000 65.4065 31.1992 178.4470 113 F 4.2678 7.9442 114.0060 59.4959 37.4460 176.5612 114 R 3.7724 7.2392 116.7837 57.1918 30.1318 177.7228 115 H 4.2881 7.6248 116.3921 57.6699 29.1047 175.8332 116 Q 4.4181 7.0290 117.4218 55.0536 29.7259 175.2243 117 S 4.7884 8.0280 114.4173 57.3320 65.4492 173.1356 118 Y 4.6853 9.3952 124.5561 58.1643 38.1063 175.9795 119 L 4.7433 7.8559 121.3433 56.3336 44.0315 178.5822 120 S 4.3022 8.8098 114.9045 61.0406 62.8039 176.0660 121 D 4.6748 8.0744 115.9072 54.2877 39.6359 176.5294 122 K 4.4624 8.2820 117.6203 55.9278 33.5391 176.0333 123 A 2.8615 7.4142 121.9236 50.7926 19.4413 178.0969 124 V 3.7702 7.8688 120.6296 65.6873 32.1625 176.2237 125 A 4.6197 7.4897 119.5106 50.3811 22.9706 175.2964 126 V 4.6814 8.1891 118.6446 61.3038 34.1798 174.6686 127 I 4.6031 8.4425 129.6693 59.6993 39.6759 174.9987 128 C 4.8804 8.7135 119.5483 59.3103 31.6041 174.0059 129 G 4.0052 9.1916 112.8466 45.1902 0.0000 173.1054 130 L 4.3826 7.7501 119.9478 54.4579 42.5759 178.4186 131 G 3.8873 7.8783 105.1830 46.7632 0.0000 176.3889 132 V 4.0832 8.3633 119.0773 64.9404 32.2401 177.7765 133 Y 4.4784 8.3771 120.2838 60.3614 38.5766 177.5945 134 G 3.8453 7.7461 106.2879 48.1177 0.0000 175.2750 135 Y 4.1554 7.8909 119.5618 60.9589 37.9266 178.7755 136 T 4.1749 8.2256 117.2753 66.0302 68.5883 176.3322 137 A 3.8647 7.9679 122.6581 54.5712 18.4655 179.2159 138 A 3.9141 7.8606 119.3827 55.7856 18.4503 180.0752 139 I 3.6967 7.8441 117.9415 64.3856 36.8888 178.5850 140 E 3.9830 7.9376 119.0280 59.3869 29.6637 178.4217 141 Y 3.9281 8.1522 119.5057 60.3184 38.6596 177.5157 142 A 2.5996 7.6269 120.7411 54.7318 18.5629 179.0070 143 L 4.2798 7.5303 113.4407 55.4740 41.6844 177.1934 144 N 4.9287 7.4459 115.6922 52.7580 39.6049 173.1730 145 Y 4.4593 7.6848 119.1832 55.2470 41.1876 175.5116 146 Q 4.0850 8.3795 124.4579 56.6151 28.7655 176.8891 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 0 L 8.18 4.42 0.00 1.88 1.71 0.89 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 1 V 8.44 3.51 2.36 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 0.89 0.00 0.00 1.17 0.00 0.00 2 K 9.03 4.37 0.00 1.74 1.84 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.86 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.48 1.38 7.81 3 K 8.01 4.96 0.00 1.84 1.68 0.00 1.68 0.00 0.00 1.96 0.00 0.00 2.79 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 V 9.01 4.97 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 1.04 0.00 0.00 0.98 0.00 0.00 5 L 8.98 5.08 0.00 1.82 1.57 0.98 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.15 5.07 0.00 1.84 1.71 1.17 0.71 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 7 I 8.88 5.15 1.97 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 1.39 0.71 1.06 0.00 0.00 8 N 9.17 5.51 0.00 2.67 2.69 0.00 0.00 6.69 7.24 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 9 G 8.84 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 0.00 0.00 0.00 0.00 10 P 0.00 4.41 0.00 1.95 2.07 0.00 3.65 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.44 0.00 11 N 9.55 4.69 0.00 2.89 3.05 0.00 0.00 7.06 6.37 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 12 L 7.78 4.04 0.00 1.73 1.75 1.08 0.42 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 13 N 8.29 4.18 0.00 2.79 3.09 0.00 0.00 6.08 7.79 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 14 L 8.22 4.22 0.00 1.79 1.74 0.92 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.10 4.34 0.00 1.83 1.81 0.98 0.64 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 16 G 7.79 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 17 T 8.65 4.12 4.23 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 1.20 0.00 0.00 18 R 7.90 3.91 0.00 1.79 2.00 0.00 3.32 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 *23 Y 7.72 4.48 0.00 3.06 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 24 G 7.48 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 0.00 0.00 0.00 25 T 8.07 4.30 4.19 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 26 T 7.80 4.30 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 27 S 9.21 5.46 0.00 3.96 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 28 L 8.23 3.86 0.00 1.89 1.66 0.83 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.94 4.01 0.00 3.89 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 30 D 8.04 4.38 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 31 I 7.40 3.67 1.75 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.71 0.15 0.00 0.00 32 E 8.20 3.91 0.00 2.07 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 0.00 2.23 2.49 0.00 33 Q 8.22 3.95 0.00 2.19 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.54 2.50 0.00 34 A 7.78 4.02 1.38 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 35 A 8.00 3.93 1.41 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 36 I 7.85 3.67 1.99 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 1.51 0.93 0.92 0.00 0.00 37 E 8.58 3.99 0.00 2.21 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 2.33 2.47 0.00 38 Q 8.41 3.94 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 39 A 7.74 4.25 1.34 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 0.00 0.00 0.00 40 K 8.03 3.77 0.00 2.00 1.88 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.65 7.81 41 L 7.74 4.13 0.00 1.77 1.74 0.93 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.70 3.96 0.00 1.61 1.87 0.00 1.83 0.00 0.00 1.58 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.60 7.81 43 N 7.74 4.12 0.00 2.96 2.87 0.00 0.00 7.12 7.30 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 44 N 8.04 4.67 0.00 2.87 2.89 0.00 0.00 7.16 8.09 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 45 D 8.21 4.79 0.00 2.80 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 46 S 7.87 4.72 0.00 3.96 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 47 E 9.14 4.69 0.00 2.01 1.74 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 2.23 2.27 0.00 48 V 8.31 4.83 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 0.92 0.00 0.00 0.96 0.00 0.00 49 L 8.75 4.48 0.00 1.71 1.60 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.23 5.10 2.21 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 0.69 0.00 0.00 0.95 0.00 0.00 51 F 9.31 5.01 0.00 3.04 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 52 Q 7.33 5.14 0.00 1.90 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.60 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.06 0.00 53 S 8.35 4.60 0.00 3.93 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 54 N 8.89 4.57 0.00 2.73 2.83 0.00 0.00 6.90 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 55 T 7.58 4.31 3.61 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 0.57 0.00 0.00 56 E 8.92 3.67 0.00 1.34 1.68 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 2.09 1.72 0.00 57 G 8.04 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 0.00 0.00 0.00 58 F 8.18 4.89 0.00 3.40 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.94 3.92 2.09 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.03 0.99 0.00 0.00 60 I 7.78 3.59 1.98 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.65 0.75 0.00 0.00 61 D 8.44 4.19 0.00 2.67 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.72 3.72 0.00 0.94 1.57 0.00 2.73 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 1.39 0.00 63 I 7.94 3.62 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.56 0.89 0.00 0.00 64 H 8.28 4.21 0.00 3.27 3.29 0.00 5.64 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 65 E 8.20 3.97 0.00 1.94 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 2.28 2.47 0.00 66 A 8.14 3.97 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 67 K 7.81 3.88 0.00 1.83 1.96 0.00 1.53 0.00 0.00 1.64 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 68 R 7.51 4.02 0.00 1.86 2.02 0.00 3.28 0.00 0.00 3.26 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.62 0.00 69 Q 7.90 4.62 0.00 2.24 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.32 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 70 G 7.88 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 71 V 7.84 3.68 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 0.89 0.00 0.00 0.97 0.00 0.00 72 G 8.78 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.11 4.91 0.00 3.05 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 74 V 8.40 4.90 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 0.93 0.00 0.00 0.96 0.00 0.00 75 V 8.76 4.79 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 1.11 0.00 0.00 1.11 0.00 0.00 76 I 9.14 5.05 1.90 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 1.19 1.28 0.95 0.00 0.00 77 N 9.46 5.33 0.00 2.77 2.89 0.00 0.00 6.92 8.12 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 78 A 8.83 4.42 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 79 G 8.42 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.71 4.09 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 81 Y 7.58 4.51 0.00 3.13 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 82 T 8.25 3.94 3.91 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 1.28 0.00 0.00 83 H 8.53 4.90 0.00 3.32 3.46 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.94 4.65 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 1.35 0.00 0.00 85 S 8.41 4.54 0.00 3.66 3.94 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 86 V 7.72 3.10 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 0.85 0.00 0.00 -0.22 0.00 0.00 87 G 7.70 3.46 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 88 I 7.91 3.67 1.81 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 1.33 0.60 0.82 0.00 0.00 89 R 7.41 3.76 0.00 1.96 2.04 0.00 3.13 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 90 D 8.27 4.36 0.00 2.98 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 91 A 7.70 4.02 1.35 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 92 L 7.83 3.94 0.00 1.60 1.61 -0.06 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.39 4.16 0.00 1.72 1.74 0.96 0.94 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 94 G 8.07 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.85 4.32 4.23 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 1.21 0.00 0.00 96 A 7.41 3.75 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 97 I 7.38 4.43 1.86 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 1.23 0.71 0.88 0.00 0.00 98 P 0.00 4.37 0.00 0.89 1.68 0.00 3.57 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 2.07 2.13 0.00 99 F 7.43 5.04 0.00 3.08 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 0.00 100 I 8.87 4.89 2.03 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 1.03 1.02 0.95 0.00 0.00 101 E 9.04 4.82 0.00 2.20 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 2.20 2.31 0.00 102 V 8.86 4.51 1.67 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 0.19 0.00 0.00 0.74 0.00 0.00 103 H 8.66 5.05 0.00 3.04 3.10 0.00 5.69 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.81 3.98 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.24 0.98 0.00 0.00 105 T 7.74 4.72 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 1.24 0.00 0.00 106 N 8.31 4.54 0.00 2.78 2.76 0.00 0.00 6.49 7.71 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 0.00 107 V 8.26 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 0.72 0.00 0.00 0.74 0.00 0.00 108 H 7.82 4.09 0.00 3.12 3.19 0.00 5.75 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.96 4.21 0.00 2.29 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.63 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 110 R 7.37 4.62 0.00 1.75 1.74 0.00 3.14 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 111 E 8.46 3.79 0.00 1.16 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 2.49 2.33 0.00 112 P 0.00 3.76 0.00 2.15 2.17 0.00 3.60 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.98 0.00 113 F 7.94 4.27 0.00 3.29 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 0.00 0.00 0.00 0.00 114 R 7.24 3.77 0.00 1.47 1.72 0.00 2.88 0.00 0.00 2.99 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 115 H 7.62 4.29 0.00 3.21 3.35 0.00 5.66 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 0.00 116 Q 7.03 4.42 0.00 1.99 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.59 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 117 S 8.03 4.79 0.00 3.81 3.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 9.40 4.69 0.00 3.04 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 0.00 119 L 7.86 4.74 0.00 1.83 1.97 0.91 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.81 4.30 0.00 3.89 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 0.00 121 D 8.07 4.67 0.00 2.81 2.81 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 0.00 122 K 8.28 4.46 0.00 1.97 1.98 0.00 1.78 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.44 1.59 7.81 123 A 7.41 2.86 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 0.00 124 V 7.87 3.77 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 0.93 0.00 0.00 0.79 0.00 0.00 125 A 7.49 4.62 0.92 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 0.00 126 V 8.19 4.68 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 1.01 0.00 0.00 0.98 0.00 0.00 127 I 8.44 4.60 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.72 0.81 0.00 0.00 128 C 8.71 4.88 0.00 2.99 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 0.00 129 G 9.19 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 0.00 0.00 0.00 130 L 7.75 4.38 0.00 1.61 1.68 1.01 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.88 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 0.00 132 V 8.36 4.08 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 1.07 0.00 0.00 1.08 0.00 0.00 133 Y 8.38 4.48 0.00 3.09 3.22 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 0.00 134 G 7.75 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 0.00 135 Y 7.89 4.16 0.00 3.17 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 0.00 136 T 8.23 4.17 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 1.34 0.00 0.00 137 A 7.97 3.86 0.97 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 0.00 0.00 138 A 7.86 3.91 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 0.00 139 I 7.84 3.70 2.01 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 1.58 1.04 0.92 0.00 0.00 140 E 7.94 3.98 0.00 2.16 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 2.36 2.48 0.00 141 Y 8.15 3.93 0.00 3.09 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 0.00 142 A 7.63 2.60 0.97 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 0.00 0.00 143 L 7.53 4.28 0.00 1.68 1.68 0.91 0.76 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 0.00 144 N 7.45 4.93 0.00 2.73 2.57 0.00 0.00 6.63 6.77 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 0.00 145 Y 7.68 4.46 0.00 2.84 2.79 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 0.00 146 Q 8.38 4.08 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.10 2.16 0.00 * Residues marked with a * may have inaccurate shift predictions.