NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.2641 0.0000 0.0000 62.6707 33.5914 173.9282 3 E 4.7698 8.3838 119.4898 54.1303 32.3231 169.8259 4 V 4.8189 8.9139 126.8817 61.2222 35.8931 173.8060 5 R 5.1270 8.4457 120.3841 54.7271 32.5304 174.0368 6 A 4.8426 8.9384 123.6735 50.0931 22.4442 174.5911 7 E 5.0650 8.5214 120.0953 54.5425 33.0809 174.8511 8 R 4.6939 8.9119 125.7584 55.2635 34.1893 172.7024 9 Y 4.9549 8.7257 127.5185 56.6690 40.1519 174.2999 10 I 4.3960 8.2638 127.7013 58.5709 40.3506 174.0839 11 P 4.6924 0.0000 0.0000 60.7020 29.0796 175.0393 12 A 4.3354 7.5133 126.7838 50.0300 22.2306 174.4679 13 P 4.5134 0.0000 0.0000 62.5293 32.9496 175.5900 14 P 4.7672 0.0000 0.0000 65.9213 30.8546 178.4905 15 E 4.0621 8.1595 117.4511 58.9536 29.3867 179.2325 16 R 3.8182 7.8416 118.3349 59.3698 30.4513 178.5100 17 V 3.5944 7.8453 118.0896 66.0402 31.3927 177.2623 18 Y 2.6599 8.1983 119.6130 60.4761 38.4313 178.4637 19 R 3.4036 7.7286 118.8164 58.9751 29.8873 179.0192 20 L 3.8543 7.5981 117.6487 57.1565 41.6841 178.8611 21 A 4.0521 7.4359 119.7534 54.2658 18.4483 179.0610 22 K 2.5765 6.6917 117.6802 57.7220 33.5528 177.7179 23 D 4.3859 7.0872 120.1124 52.7361 38.2468 176.1248 24 L 3.9835 7.6124 123.9273 57.5121 41.9221 178.6052 25 E 3.9695 7.9546 117.2405 59.1073 29.5252 179.0879 26 G 3.7644 7.9625 105.7640 46.4630 0.0000 175.0294 27 L 4.2206 7.8013 122.7422 57.3500 42.0627 178.3492 28 K 3.7028 8.0298 120.0168 59.3828 31.8186 176.7366 29 P 4.1859 0.0000 0.0000 64.8420 31.5750 176.9821 30 Y 4.6807 8.3220 114.4848 56.8681 38.5591 174.9240 31 L 4.7482 7.8364 122.1837 53.0198 41.2423 177.0346 32 K 4.1206 8.5548 125.4323 58.2684 32.6564 177.4003 33 E 4.3989 8.2126 116.6569 56.5266 30.1502 175.2542 34 V 4.6325 7.4380 119.7057 61.5002 32.6487 174.8853 35 E 4.3297 9.0833 128.8811 58.2568 30.6927 176.5238 36 S 4.5051 7.5765 113.2036 56.7225 66.1910 172.8538 37 L 4.5547 8.2030 128.1642 53.4906 44.5812 174.8077 38 E 4.5429 8.5096 126.2855 54.2491 32.7721 175.5896 39 V 4.0943 8.1991 125.5121 62.8598 31.3161 175.5789 40 V 4.1279 9.0260 128.9114 64.2274 32.6419 175.8899 41 A 4.9878 7.7921 120.2250 50.1955 23.0136 175.4731 42 R 5.1437 8.4115 116.3321 55.1264 32.6229 174.5947 43 E 4.6145 9.4969 121.1415 56.2888 33.9577 174.9728 44 G 3.9242 8.6410 114.1366 46.9929 0.0000 173.7796 45 A 4.7511 8.9205 127.9618 51.3537 19.4298 176.3844 46 R 5.3352 8.0556 117.9542 55.5317 33.3837 174.6597 47 T 5.2026 9.2475 121.8028 61.7858 72.4174 172.8206 48 R 5.2849 9.0724 125.4778 54.6400 32.9051 174.6591 49 S 5.1357 9.5829 120.1507 56.5980 67.3984 172.7673 50 R 4.8320 9.0341 122.1645 54.6759 31.8882 174.5451 51 W 4.7062 8.7530 127.3126 54.8835 31.5869 175.7049 52 V 4.6651 8.6368 123.2337 61.2209 33.8325 174.1943 53 A 5.3642 9.3076 129.7654 50.2193 22.5516 174.7549 54 V 4.8248 8.8102 119.4293 60.4096 33.5570 176.0183 55 A 4.7037 8.1254 131.7083 51.4224 19.0863 176.4927 *57 G 3.9806 7.9847 110.6847 45.1848 0.0000 173.1629 58 K 4.6789 7.6853 118.3206 54.8097 34.4315 176.0620 59 K 4.7848 8.5014 121.8347 55.9047 34.6684 175.8047 60 V 4.5921 9.0311 122.6061 61.2132 34.2597 174.0646 61 R 5.3368 9.7358 128.6700 54.4940 32.9874 174.2999 62 W 5.4985 8.6769 121.4393 55.6656 32.2192 172.9733 63 L 5.1229 9.0817 120.9825 53.2576 43.7331 175.3464 64 E 4.9105 9.6104 123.5516 54.5098 33.1315 173.9618 65 E 5.2195 9.2283 126.8037 54.6861 31.7945 174.5719 66 E 5.1074 9.1462 122.8648 54.4310 32.5924 174.3839 67 E 4.9195 9.5450 126.0473 54.5309 31.4309 174.2800 68 W 5.0231 9.5246 128.2595 55.5552 30.8321 176.0024 69 D 4.7956 9.4662 126.1181 52.7662 40.4494 176.4130 70 D 4.4821 8.8110 125.7323 57.0414 41.5337 178.1879 71 E 4.0590 8.4982 117.6714 59.3457 29.4499 177.5638 72 N 4.6846 7.8495 111.6103 52.0593 39.2203 174.8144 73 L 2.4400 7.3476 117.7533 55.4184 39.7652 173.5573 74 R 5.4618 7.4105 112.6939 54.7882 33.5582 174.1369 75 N 5.6994 9.6755 116.5396 51.3263 41.3453 173.3147 76 R 5.0350 8.9742 115.8626 54.5198 33.2954 174.0619 77 F 5.7275 8.6155 115.4322 55.6875 41.9170 173.3103 78 F 5.5178 9.5981 114.6117 55.8462 41.8078 172.8992 79 S 5.2346 8.9211 115.6086 55.4570 62.7188 172.3556 80 P 4.6366 0.0000 0.0000 64.7375 32.0183 175.7889 81 E 4.7514 7.4495 114.9492 55.4790 32.0844 175.4652 82 G 3.9283 8.3635 106.2554 45.1930 0.0000 172.7991 83 D 4.4649 8.6866 120.4959 56.3701 41.2246 176.6804 84 F 4.6463 7.9180 117.3349 56.6071 39.5430 176.0865 85 D 4.6610 9.0963 123.0519 57.1777 41.6207 177.1245 86 R 4.6924 8.0093 117.9952 55.1752 34.0684 173.8093 87 Y 4.7998 8.6684 127.6705 57.2304 40.7825 172.6235 88 E 4.7192 8.3123 124.1100 54.9374 33.6334 175.6009 89 G 3.8750 5.9623 105.7287 46.0128 0.0000 171.3943 90 T 5.3004 7.3331 108.9853 58.9998 72.7394 172.9658 91 W 5.1446 10.1051 124.4447 55.2808 31.4319 175.5043 92 V 4.9326 8.6866 117.6992 59.4995 35.2726 174.9328 93 F 4.9799 8.8963 122.0638 55.9915 41.4127 174.4012 94 L 4.9232 8.8021 125.0545 51.8946 43.9315 174.6922 95 P 4.7696 0.0000 0.0000 63.1584 32.3644 176.2325 96 E 4.5509 9.7863 123.4016 55.3861 32.7236 176.7063 97 G 3.8451 8.3562 116.5294 46.8456 0.0000 174.9603 98 E 4.2426 9.3035 123.8488 57.8439 30.3079 176.6180 99 G 4.6137 8.3430 107.9570 45.5494 0.0000 171.9417 100 T 5.1391 8.2209 118.3823 61.7271 72.3675 173.5400 101 R 4.5200 9.4375 127.4714 55.1232 31.3167 174.9321 102 V 4.3367 8.8568 128.3903 61.8421 33.2644 174.7107 103 V 4.6709 8.5542 127.8642 60.8881 34.2888 173.6620 104 L 4.6703 8.7948 130.3715 53.5091 44.4051 174.8647 105 T 4.8734 8.5736 123.4020 61.5524 71.5688 173.1159 106 L 4.8768 9.1331 127.9823 53.6498 45.3455 174.9429 107 T 4.9685 8.7936 124.5577 62.1759 70.5055 173.6601 108 Y 5.1865 8.1471 123.8008 55.3081 42.1977 174.2283 109 E 4.8895 9.5723 119.6195 54.6782 33.8209 174.3064 110 L 5.0635 8.8120 126.3755 53.1938 44.2602 175.7304 111 T 4.1443 8.2958 117.2832 61.2298 69.5398 174.2514 112 I 4.4905 8.1829 126.4387 58.5045 39.2037 173.6600 113 P 4.5650 0.0000 0.0000 63.3160 31.9793 177.9735 114 I 3.3616 8.1805 124.1743 62.3721 36.1263 174.9877 115 F 4.7086 9.0901 117.1825 56.3847 41.1204 177.4417 116 G 3.8967 7.8181 109.9887 47.0543 0.0000 174.1059 117 G 4.0402 8.6061 113.4870 45.3958 0.0000 174.7534 118 L 4.2029 8.6134 121.2000 56.4625 41.8075 177.9070 119 L 4.6955 7.7355 118.1206 54.3977 42.5878 178.1627 120 R 3.9347 8.1599 121.0154 59.8464 29.9411 178.6088 121 K 4.0875 8.0779 117.5665 59.3195 32.0067 179.0289 122 L 3.9339 7.8205 120.1714 58.0526 41.9535 178.7509 123 V 3.5795 7.7713 117.1569 66.1729 31.4725 177.5484 124 Q 4.6226 8.3419 118.0805 58.4905 29.0353 178.4205 125 K 4.0331 8.0509 120.3265 59.6190 32.0483 178.6258 126 L 4.2382 7.6453 116.8699 55.3333 41.4385 179.0204 *128 Q 4.2190 8.0129 119.4318 56.1565 30.7441 177.7373 129 E 3.9912 7.9645 116.9365 59.3111 29.3005 178.3549 130 N 4.4676 8.3252 117.4826 57.0402 39.0745 177.1718 131 V 3.5306 7.5336 112.7223 64.3624 31.7901 178.3609 132 E 3.9232 8.2759 118.3304 59.6313 29.3424 179.4806 133 S 4.1575 8.2624 112.9660 61.2010 62.3118 176.2090 134 L 4.2201 7.9891 121.9647 57.8566 41.3243 179.4614 135 L 4.1006 7.9172 118.6996 57.4069 41.5502 179.0369 136 K 3.9554 8.3528 120.0269 59.8537 32.0149 178.7555 137 G 3.8612 8.6404 105.9743 47.4913 0.0000 175.2803 138 L 3.9966 8.2472 122.8845 57.8827 42.0230 178.5036 139 E 3.9515 8.5396 119.5543 59.3525 29.5835 178.7152 140 E 3.9576 8.1864 118.4508 59.4292 29.4675 179.2041 141 R 2.6771 7.5881 118.6884 59.1489 29.9140 178.7469 142 V 3.5505 7.7090 117.7378 65.3720 31.1762 177.9494 143 L 3.8896 7.2233 119.5567 58.1314 42.1271 178.2251 144 A 4.0960 7.5293 118.5555 55.0779 18.2863 178.8383 145 A 4.2393 7.4118 117.6876 54.6890 19.1281 179.1748 146 S 4.2500 7.7530 113.9954 60.0094 63.1262 174.3203 147 S 4.3016 7.7114 120.5903 58.4179 62.4450 173.9179 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 P 0.00 4.26 0.00 1.85 2.10 0.00 3.30 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 0.57 1.69 0.00 3 E 8.38 4.77 0.00 1.89 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 2.12 2.38 0.00 4 V 8.91 4.82 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 0.75 0.00 0.00 1.04 0.00 0.00 5 R 8.45 5.13 0.00 1.87 1.74 0.00 3.00 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.53 0.00 6 A 8.94 4.84 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.52 5.07 0.00 1.90 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 2.19 2.29 0.00 8 R 8.91 4.69 0.00 1.95 1.70 0.00 3.55 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.66 0.00 9 Y 8.73 4.95 0.00 3.06 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 10 I 8.26 4.40 1.77 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 1.28 0.67 0.87 0.00 0.00 11 P 0.00 4.69 0.00 2.11 2.19 0.00 3.76 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 1.99 2.01 0.00 12 A 7.51 4.34 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 13 P 0.00 4.51 0.00 2.28 2.22 0.00 3.73 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 14 P 0.00 4.77 0.00 2.34 2.50 0.00 3.90 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 2.12 2.01 0.00 15 E 8.16 4.06 0.00 2.01 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 2.39 2.31 0.00 16 R 7.84 3.82 0.00 1.86 2.09 0.00 3.15 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 17 V 7.85 3.59 2.26 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 1.25 0.00 0.00 1.06 0.00 0.00 18 Y 8.20 2.66 0.00 2.32 2.89 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 19 R 7.73 3.40 0.00 1.95 1.77 0.00 3.10 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.76 0.00 20 L 7.60 3.85 0.00 1.54 1.62 0.84 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.44 4.05 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 K 6.69 2.58 0.00 0.79 1.05 0.00 0.90 0.00 0.00 0.96 0.00 0.00 2.40 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.21 7.81 23 D 7.09 4.39 0.00 2.56 2.35 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 24 L 7.61 3.98 0.00 1.61 1.52 1.13 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 25 E 7.95 3.97 0.00 1.83 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 2.17 2.26 0.00 26 G 7.96 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 0.00 0.00 0.00 27 L 7.80 4.22 0.00 1.75 1.81 0.99 0.75 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 28 K 8.03 3.70 0.00 1.69 1.88 0.00 1.47 0.00 0.00 1.44 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.32 1.46 7.81 29 P 0.00 4.19 0.00 1.75 1.90 0.00 3.89 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 1.98 2.10 0.00 30 Y 8.32 4.68 0.00 3.20 3.11 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 31 L 7.84 4.75 0.00 1.97 1.77 1.16 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.55 4.12 0.00 1.76 1.87 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.42 7.81 33 E 8.21 4.40 0.00 2.20 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 2.41 2.36 0.00 34 V 7.44 4.63 2.27 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 0.67 0.00 0.00 1.25 0.00 0.00 35 E 9.08 4.33 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 36 S 7.58 4.51 0.00 3.81 3.52 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 37 L 8.20 4.55 0.00 1.00 1.02 -0.36 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.51 4.54 0.00 1.81 1.69 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 2.08 2.06 0.00 39 V 8.20 4.09 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 0.74 0.00 0.00 0.84 0.00 0.00 40 V 9.03 4.13 2.18 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 0.79 0.00 0.00 0.93 0.00 0.00 41 A 7.79 4.99 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 42 R 8.41 5.14 0.00 1.77 1.89 0.00 3.05 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 43 E 9.50 4.61 0.00 2.15 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 0.00 2.25 2.42 0.00 44 G 8.64 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 45 A 8.92 4.75 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 8.06 5.34 0.00 2.01 2.04 0.00 3.13 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.84 0.00 47 T 9.25 5.20 4.71 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 1.45 0.00 0.00 48 R 9.07 5.28 0.00 1.87 1.78 0.00 3.43 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 49 S 9.58 5.14 0.00 3.80 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 50 R 9.03 4.83 0.00 1.77 1.71 0.00 3.03 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.52 0.00 51 W 8.75 4.71 0.00 1.78 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 0.00 0.00 0.00 52 V 8.64 4.67 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 1.08 0.00 0.00 0.86 0.00 0.00 53 A 9.31 5.36 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 0.00 0.00 0.00 0.00 0.00 0.00 54 V 8.81 4.82 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.97 0.00 0.00 55 A 8.13 4.70 1.24 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 0.00 0.00 *57 G 7.98 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 0.00 0.00 0.00 58 K 7.69 4.68 0.00 1.69 1.73 0.00 1.68 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.37 7.81 59 K 8.50 4.78 0.00 1.80 1.83 0.00 1.53 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.45 7.81 60 V 9.03 4.59 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 0.80 0.00 0.00 0.92 0.00 0.00 61 R 9.74 5.34 0.00 1.87 1.80 0.00 3.39 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 62 W 8.68 5.50 0.00 3.48 3.32 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 63 L 9.08 5.12 0.00 1.79 1.63 1.02 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 E 9.61 4.91 0.00 2.03 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 2.38 2.49 0.00 65 E 9.23 5.22 0.00 1.61 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 2.04 2.19 0.00 66 E 9.15 5.11 0.00 1.33 1.97 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 2.53 2.77 0.00 67 E 9.55 4.92 0.00 2.05 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 2.25 2.33 0.00 68 W 9.52 5.02 0.00 3.29 3.34 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 69 D 9.47 4.80 0.00 2.77 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 70 D 8.81 4.48 0.00 2.79 2.80 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 71 E 8.50 4.06 0.00 2.08 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 2.36 0.00 72 N 7.85 4.68 0.00 2.83 2.82 0.00 0.00 7.19 7.52 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 73 L 7.35 2.44 0.00 1.77 1.48 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.41 5.46 0.00 1.96 2.12 0.00 2.94 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 75 N 9.68 5.70 0.00 1.86 2.94 0.00 0.00 6.86 7.99 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 76 R 8.97 5.03 0.00 1.76 1.98 0.00 2.66 0.00 0.00 3.46 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 77 F 8.62 5.73 0.00 3.21 3.15 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 78 F 9.60 5.52 0.00 3.08 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 79 S 8.92 5.23 0.00 4.05 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 80 P 0.00 4.64 0.00 2.26 2.11 0.00 3.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.74 0.00 81 E 7.45 4.75 0.00 2.18 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 2.29 2.33 0.00 82 G 8.36 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 83 D 8.69 4.46 0.00 2.50 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 84 F 7.92 4.65 0.00 2.89 3.20 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 0.00 0.00 0.00 0.00 85 D 9.10 4.66 0.00 2.76 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 86 R 8.01 4.69 0.00 1.88 1.71 0.00 3.19 0.00 0.00 3.44 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 87 Y 8.67 4.80 0.00 2.52 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.31 4.72 0.00 2.02 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 2.24 2.06 0.00 89 G 5.96 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 90 T 7.33 5.30 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 1.12 0.00 0.00 91 W 10.11 5.14 0.00 3.60 3.20 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 0.00 0.00 0.00 0.00 92 V 8.69 4.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.89 0.00 0.00 93 F 8.90 4.98 0.00 2.92 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.80 4.92 0.00 1.72 1.61 0.94 0.98 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 95 P 0.00 4.77 0.00 2.12 2.11 0.00 3.77 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 96 E 9.79 4.55 0.00 2.25 2.27 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 2.33 2.56 0.00 97 G 8.36 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 98 E 9.30 4.24 0.00 2.08 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 0.00 2.36 2.36 0.00 99 G 8.34 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 0.00 0.00 0.00 0.00 100 T 8.22 5.14 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 1.44 0.00 0.00 101 R 9.44 4.52 0.00 2.22 2.04 0.00 3.33 0.00 0.00 3.16 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 102 V 8.86 4.34 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 0.70 0.00 0.00 1.06 0.00 0.00 103 V 8.55 4.67 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 0.90 0.00 0.00 0.90 0.00 0.00 104 L 8.79 4.67 0.00 1.15 1.10 0.44 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.57 4.87 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 106 L 9.13 4.88 0.00 1.51 1.32 0.00 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.79 4.97 4.08 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 1.12 0.00 0.00 108 Y 8.15 5.19 0.00 2.90 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 E 9.57 4.89 0.00 1.86 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 2.12 2.07 0.00 110 L 8.81 5.06 0.00 1.91 1.68 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.30 4.14 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 1.27 0.00 0.00 112 I 8.18 4.49 2.17 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 1.46 1.00 1.09 0.00 0.00 113 P 0.00 4.56 0.00 2.18 1.95 0.00 3.80 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.12 0.00 114 I 8.18 3.36 0.80 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 1.20 0.16 0.13 0.00 0.00 115 F 9.09 4.71 0.00 3.13 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 0.00 116 G 7.82 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 0.00 0.00 0.00 117 G 8.61 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 L 8.61 4.20 0.00 1.84 1.84 1.02 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 119 L 7.74 4.70 0.00 1.69 1.60 0.65 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 120 R 8.16 3.93 0.00 2.03 1.98 0.00 3.10 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 121 K 8.08 4.09 0.00 1.89 1.86 0.00 1.61 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.54 1.57 7.81 122 L 7.82 3.93 0.00 1.74 1.79 0.91 0.84 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 0.00 123 V 7.77 3.58 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 1.01 0.00 0.00 1.06 0.00 0.00 124 Q 8.34 4.62 0.00 2.29 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.67 0.00 0.00 0.00 0.00 0.00 2.65 2.42 0.00 125 K 8.05 4.03 0.00 1.97 1.97 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 126 L 7.65 4.24 0.00 1.91 1.64 0.91 1.08 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 *128 Q 8.01 4.22 0.00 2.28 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.55 6.90 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 129 E 7.96 3.99 0.00 2.19 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 2.34 2.31 0.00 130 N 8.33 4.47 0.00 2.81 2.72 0.00 0.00 7.09 7.33 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 0.00 131 V 7.53 3.53 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 0.78 0.00 0.00 0.88 0.00 0.00 132 E 8.28 3.92 0.00 2.08 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 2.31 2.37 0.00 133 S 8.26 4.16 0.00 4.00 4.12 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 0.00 0.00 0.00 0.00 134 L 7.99 4.22 0.00 1.98 2.04 1.11 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.92 4.10 0.00 1.87 1.74 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.35 3.96 0.00 1.91 2.06 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.60 7.81 137 G 8.64 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 0.00 138 L 8.25 4.00 0.00 2.04 2.03 1.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 E 8.54 3.95 0.00 2.20 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 2.33 2.37 0.00 140 E 8.19 3.96 0.00 2.25 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 2.43 2.42 0.00 141 R 7.59 2.68 0.00 1.47 1.67 0.00 3.25 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 1.58 0.00 142 V 7.71 3.55 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 0.90 0.00 0.00 0.95 0.00 0.00 143 L 7.22 3.89 0.00 1.62 1.86 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 144 A 7.53 4.10 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 0.00 145 A 7.41 4.24 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 0.00 146 S 7.75 4.25 0.00 3.79 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 0.00 147 S 7.71 4.30 0.00 3.78 3.68 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 * Residues marked with a * may have inaccurate shift predictions.