NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.5660 0.0000 0.0000 61.8240 33.1194 175.6853 4 I 3.5858 8.2978 122.4081 60.2248 37.5047 174.6600 5 T 4.5163 8.3803 115.5639 60.1626 71.7987 175.0707 6 Q 3.9374 8.7557 122.8621 59.1958 29.0811 178.2168 7 A 3.9643 8.0134 121.3516 55.1771 18.4222 179.1370 8 F 3.8710 8.3406 118.7540 61.3550 39.4244 177.0389 9 A 3.8906 8.2573 120.4572 55.4257 18.2148 179.7093 10 Q 3.8658 8.2190 116.5606 58.9327 28.7420 178.7234 11 Q 3.7579 7.8812 120.6491 58.9827 29.0646 177.7509 12 F 3.8153 7.9056 122.0984 61.4080 39.1706 177.1016 13 S 3.8897 8.0982 112.5450 61.2762 62.1454 176.1261 14 R 3.6416 7.6942 120.7255 59.3001 29.7019 178.9057 15 E 3.7692 7.9237 118.1590 58.9768 29.4424 179.3223 16 W 3.7231 7.7203 128.3605 60.3437 30.7061 178.1870 17 I 3.6977 8.1090 120.0906 64.4901 36.5867 178.1028 18 D 4.2170 8.1257 119.4948 57.2522 40.6684 178.7343 19 A 3.7767 7.9361 121.2689 54.9042 18.3704 179.6753 20 W 3.4517 7.4149 117.2258 59.8702 28.8030 178.5932 21 N 4.2563 8.0491 114.8021 55.4741 38.0270 176.5317 22 A 4.0316 7.7141 120.1967 51.7067 19.3534 176.4812 23 H 3.8595 7.6885 113.3391 57.1157 26.7432 175.7533 24 D 4.6050 7.2902 119.9437 51.9029 41.0812 175.7617 25 L 3.6784 8.1083 127.3548 57.7989 42.3080 177.8596 26 D 4.3380 8.0364 118.0743 57.4082 40.5694 178.6186 27 A 3.9070 8.0241 119.9197 55.0096 18.7847 179.3058 28 I 3.6429 7.7046 118.6195 64.7540 37.2142 178.7943 29 L 4.3728 8.3950 119.9610 57.5776 41.1879 179.6160 30 S 4.2897 7.8121 113.4632 61.2330 63.1037 175.4749 31 H 4.5915 8.3370 118.4573 56.3010 28.7481 173.9524 32 Y 5.1356 7.4064 118.2379 55.7625 40.3027 175.7361 33 A 4.4134 9.0541 124.5378 51.7007 19.9031 176.9213 34 D 4.5243 8.8549 120.1726 55.6670 41.5149 177.1880 35 G 3.9250 9.1123 109.6662 45.7453 0.0000 173.7872 36 F 4.5980 8.1841 114.7175 57.0709 38.4657 174.6304 37 E 5.0055 9.1825 122.4235 54.0614 32.7713 174.7108 *39 S 4.7660 8.2951 113.3212 59.1054 64.4618 172.8486 40 S 5.0136 8.7679 115.5812 55.6278 65.8863 173.6453 41 P 4.4841 0.0000 0.0000 62.6356 30.1759 177.8997 *43 I 3.9287 7.6719 120.5384 62.3163 39.8329 178.6267 44 V 3.5580 7.5303 119.1226 66.2002 30.9641 178.1888 45 Q 3.9683 7.4586 115.1398 59.1752 28.6821 178.5365 46 I 3.9064 7.5660 118.5865 64.3132 37.6167 178.0021 47 A 4.1703 8.1605 120.9415 53.3155 18.2588 178.3579 48 G 3.7477 7.5203 104.9999 45.3615 0.0000 172.6027 *50 P 4.4636 0.0000 0.0000 62.3821 32.9242 178.1385 51 S 4.1036 8.0955 112.0633 58.9048 63.3085 174.4683 52 G 3.8339 8.3044 111.1845 47.0475 0.0000 173.2803 53 R 4.8649 7.9059 116.4422 53.8299 32.1902 178.0583 54 L 4.9377 7.9684 119.8478 52.3610 45.5756 175.5569 55 R 4.4164 8.8393 120.0306 55.6874 33.2784 175.9413 56 G 4.0002 8.4384 109.3266 45.9321 0.0000 174.7545 57 K 4.1553 8.5724 121.7197 59.5934 32.1584 180.3772 58 E 3.9461 8.0083 118.3782 61.1532 29.3332 182.2566 59 Q 4.0365 7.7464 120.3280 59.0072 29.3325 178.2446 60 V 3.3667 7.7319 119.6047 65.6210 31.4482 178.1746 61 G 3.6772 8.0764 105.3783 47.5523 0.0000 175.4660 62 A 4.0189 7.8388 122.5819 55.2579 18.4581 179.1267 63 Y 4.2156 7.6672 117.3394 60.8528 38.8518 178.2682 64 W 4.5012 8.3538 119.7787 59.3498 29.1487 178.6057 65 R 3.9074 8.7136 119.4631 59.5823 29.3168 178.4404 66 E 4.0133 8.2191 116.9039 59.1768 29.4854 178.8666 67 A 4.1556 7.7918 120.0090 55.3626 18.3001 179.5204 68 L 4.1547 8.2918 117.5969 57.4878 41.3357 179.1805 69 R 4.0987 7.6313 116.6398 56.2786 31.6818 177.0392 *71 I 4.0162 7.5249 117.7615 60.1960 37.4611 174.4876 72 P 4.4844 0.0000 0.0000 63.8867 31.8714 177.7578 73 D 4.9034 7.7620 117.8544 52.5430 39.7345 175.8749 74 L 3.9676 7.4606 121.2866 56.8415 42.3616 175.9863 75 H 4.9778 8.6453 123.8012 54.5562 32.9483 171.8222 76 F 5.4604 9.4976 125.7780 56.0069 40.7093 174.7710 77 E 4.6293 9.3247 126.1199 54.2234 30.6412 174.9933 78 W 4.6865 9.1544 135.0000 58.3522 31.0488 174.4682 79 I 3.9574 7.8332 125.9027 62.0379 38.7337 175.6538 80 A 4.0295 6.5846 120.2665 51.0943 22.3621 174.8398 81 T 5.3849 8.9038 115.8294 61.9438 72.1358 173.5467 82 L 5.0371 9.3674 124.7042 52.8888 46.2688 175.0767 83 A 4.9162 8.7693 123.0403 50.5055 21.0894 176.5495 84 G 4.2870 8.7245 113.0346 44.1258 0.0000 173.0353 85 V 3.7229 8.5300 118.0694 65.7819 31.9436 178.1741 86 D 5.4093 8.1158 116.6906 52.6877 41.1020 174.5947 87 S 5.4135 8.0859 112.5620 57.3807 67.1905 172.5721 88 V 5.0044 9.1368 120.0451 61.1019 34.9618 173.9362 89 A 5.2762 9.1912 128.5289 50.2963 21.6904 174.9902 90 I 4.9759 8.9844 124.4193 60.1053 39.5885 174.1926 91 H 5.4727 9.4044 128.5511 54.7807 31.7987 173.1158 92 Y 5.0848 8.2734 122.0387 56.1148 42.0162 173.1800 93 R 4.4802 9.1074 121.9620 55.3006 31.4279 175.2401 94 G 4.2018 8.9530 120.0489 44.3271 0.0000 172.0716 95 A 4.2009 8.9651 125.8433 54.6386 18.7298 178.8765 96 K 3.7255 9.6320 122.1453 55.2536 29.2245 173.9771 97 G 3.9902 8.3165 105.8273 46.4590 0.0000 174.0807 98 R 4.1717 7.7553 120.8932 55.7163 31.2561 175.9825 99 L 4.5567 8.5073 125.5668 54.9325 43.2292 175.6839 100 A 4.7294 8.5990 123.1126 50.5372 23.3089 174.7219 101 L 5.0310 8.3745 120.4074 53.5887 46.1863 174.2601 102 E 4.8709 9.2720 126.3807 54.2523 32.7950 174.2451 103 V 4.6637 8.4698 126.8806 61.1317 34.1119 174.1675 104 F 5.1528 9.3995 126.2862 56.0139 42.1208 173.6151 105 H 5.2663 9.3261 121.2775 54.2172 30.8569 173.9365 106 F 4.9869 8.9511 121.4910 55.9996 41.5678 176.0791 107 G 4.2610 8.7757 109.8957 44.3784 0.0000 172.4393 108 P 4.4540 0.0000 0.0000 65.2153 31.2580 176.5510 109 D 4.7025 8.2812 120.7332 54.5271 40.8759 177.4405 110 R 4.4752 7.7579 114.6732 57.2016 27.4751 179.3894 111 R 5.0170 7.3215 116.5966 54.9612 32.9043 175.5747 112 V 3.5889 8.2276 120.6928 63.2165 31.8154 176.8867 113 V 4.5936 8.8822 121.2635 62.2052 33.7900 175.8411 114 K 5.3063 7.8699 120.8647 55.0871 35.5377 174.5450 115 A 5.2923 9.3684 128.3172 50.3108 22.7360 175.3334 116 L 4.9170 8.7851 119.3087 53.0868 45.6196 175.7976 117 A 4.9675 9.1304 126.5703 51.4610 20.3416 176.1615 118 H 4.8588 8.7869 116.8504 54.3334 33.4620 172.2736 119 Y 5.1158 8.3242 117.4850 56.0917 41.7693 175.0929 120 A 4.3504 8.9716 124.8484 51.5546 19.9602 178.1016 121 G 3.6726 8.2613 106.8621 45.8614 0.0000 172.8150 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 3 P 0.00 4.57 0.00 1.93 2.05 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.11 0.00 4 I 8.30 3.59 2.06 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.13 0.92 0.00 0.00 5 T 8.38 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 1.18 0.00 0.00 6 Q 8.76 3.94 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.46 2.52 0.00 7 A 8.01 3.96 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 8 F 8.34 3.87 0.00 3.09 3.12 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 9 A 8.26 3.89 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 10 Q 8.22 3.87 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.76 0.00 0.00 0.00 0.00 0.00 2.69 2.52 0.00 11 Q 7.88 3.76 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.75 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 12 F 7.91 3.82 0.00 2.26 2.82 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 0.00 0.00 0.00 13 S 8.10 3.89 0.00 4.03 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 14 R 7.69 3.64 0.00 1.86 1.78 0.00 3.01 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.48 0.00 15 E 7.92 3.77 0.00 1.72 1.71 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 2.21 2.33 0.00 16 W 7.72 3.72 0.00 2.45 2.85 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 17 I 8.11 3.70 1.91 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.90 0.98 0.00 0.00 18 D 8.13 4.22 0.00 2.76 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 19 A 7.94 3.78 1.08 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 0.00 0.00 20 W 7.41 3.45 0.00 2.83 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 0.00 0.00 0.00 21 N 8.05 4.26 0.00 2.64 2.80 0.00 0.00 7.04 8.08 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 22 A 7.71 4.03 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 H 7.69 3.86 0.00 3.24 3.27 0.00 5.63 0.00 0.00 0.00 0.00 8.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 D 7.29 4.60 0.00 2.52 2.43 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 25 L 8.11 3.68 0.00 1.68 1.58 1.00 1.26 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 26 D 8.04 4.34 0.00 2.82 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 27 A 8.02 3.91 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 28 I 7.70 3.64 1.64 0.00 0.00 -0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 0.52 0.45 0.00 0.00 29 L 8.39 4.37 0.00 1.76 1.87 1.02 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 30 S 7.81 4.29 0.00 4.02 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 0.00 31 H 8.34 4.59 0.00 3.45 3.54 0.00 5.58 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 7.41 5.14 0.00 2.69 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 0.00 0.00 0.00 0.00 33 A 9.05 4.41 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 34 D 8.85 4.52 0.00 2.66 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 35 G 9.11 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 36 F 8.18 4.60 0.00 3.45 3.56 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.18 5.01 0.00 2.00 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 2.22 2.10 0.00 *39 S 8.30 4.77 0.00 3.93 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 40 S 8.77 5.01 0.00 4.11 3.78 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 41 P 0.00 4.48 0.00 2.34 2.29 0.00 4.04 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.09 0.00 *43 I 7.67 3.93 2.03 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.72 0.80 0.00 0.00 44 V 7.53 3.56 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 1.03 0.00 0.00 0.97 0.00 0.00 45 Q 7.46 3.97 0.00 2.10 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.77 0.00 0.00 0.00 0.00 0.00 2.67 2.54 0.00 46 I 7.57 3.91 1.83 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 1.62 0.49 0.93 0.00 0.00 47 A 8.16 4.17 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 48 G 7.52 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *50 P 0.00 4.46 0.00 2.20 2.22 0.00 3.75 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 1.87 1.95 0.00 51 S 8.10 4.10 0.00 3.98 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 G 8.30 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 0.00 0.00 0.00 53 R 7.91 4.86 0.00 1.81 1.68 0.00 3.21 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.18 0.00 54 L 7.97 4.94 0.00 1.40 1.40 0.57 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.84 4.42 0.00 1.54 1.59 0.00 3.22 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.51 0.00 56 G 8.44 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.57 4.16 0.00 1.90 1.98 0.00 1.97 0.00 0.00 2.01 0.00 0.00 3.39 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.92 1.79 7.81 58 E 8.01 3.95 0.00 1.97 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 2.31 1.94 0.00 59 Q 7.75 4.04 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.89 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 60 V 7.73 3.37 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 -0.39 0.00 0.00 0.36 0.00 0.00 61 G 8.08 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 0.00 0.00 0.00 62 A 7.84 4.02 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 63 Y 7.67 4.22 0.00 2.95 3.02 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 0.00 0.00 0.00 64 W 8.35 4.50 0.00 3.54 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 65 R 8.71 3.91 0.00 1.98 2.16 0.00 3.12 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 66 E 8.22 4.01 0.00 2.24 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 2.54 2.54 0.00 67 A 7.79 4.16 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 68 L 8.29 4.15 0.00 1.83 1.68 0.72 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 69 R 7.63 4.10 0.00 2.02 2.02 0.00 3.30 0.00 0.00 3.23 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 *71 I 7.52 4.02 1.88 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.60 1.00 0.00 0.00 72 P 0.00 4.48 0.00 2.15 2.15 0.00 3.33 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.90 0.00 73 D 7.76 4.90 0.00 2.81 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 74 L 7.46 3.97 0.00 1.82 1.58 1.07 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 75 H 8.65 4.98 0.00 3.11 3.19 0.00 5.94 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 9.50 5.46 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 E 9.32 4.63 0.00 2.25 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 2.31 2.39 0.00 78 W 9.15 4.69 0.00 3.39 3.26 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 79 I 7.83 3.96 1.53 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.79 0.69 0.00 0.00 80 A 6.58 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 T 8.90 5.38 4.77 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 1.45 0.00 0.00 82 L 9.37 5.04 0.00 1.60 1.53 0.95 0.67 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 83 A 8.77 4.92 1.23 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 0.00 0.00 84 G 8.72 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 0.00 0.00 0.00 0.00 85 V 8.53 3.72 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.94 0.00 0.00 86 D 8.12 5.41 0.00 2.77 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 87 S 8.09 5.41 0.00 3.81 3.62 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 88 V 9.14 5.00 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 1.03 0.00 0.00 0.95 0.00 0.00 89 A 9.19 5.28 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 90 I 8.98 4.98 1.94 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.99 1.29 0.00 0.00 91 H 9.40 5.47 0.00 3.13 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 Y 8.27 5.08 0.00 3.24 3.12 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 93 R 9.11 4.48 0.00 1.86 1.89 0.00 3.11 0.00 0.00 3.26 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 94 G 8.95 4.20 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 0.00 95 A 8.97 4.20 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 96 K 9.63 3.73 0.00 1.96 1.79 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.25 0.99 7.81 97 G 8.32 3.99 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 0.00 0.00 0.00 98 R 7.76 4.17 0.00 1.95 1.82 0.00 3.04 0.00 0.00 3.06 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.62 0.00 99 L 8.51 4.56 0.00 1.65 1.50 0.85 0.85 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 0.00 100 A 8.60 4.73 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 L 8.37 5.03 0.00 1.55 1.26 0.88 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 102 E 9.27 4.87 0.00 1.94 1.13 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 1.47 1.47 0.00 103 V 8.47 4.66 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 0.94 0.00 0.00 0.85 0.00 0.00 104 F 9.40 5.15 0.00 2.60 2.19 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 0.00 105 H 9.33 5.27 0.00 3.12 3.22 0.00 5.58 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 0.00 106 F 8.95 4.99 0.00 2.86 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 0.00 107 G 8.78 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 0.00 0.00 0.00 0.00 108 P 0.00 4.45 0.00 2.20 2.21 0.00 3.80 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 2.02 2.01 0.00 109 D 8.28 4.70 0.00 2.78 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 0.00 110 R 7.76 4.48 0.00 1.97 1.87 0.00 3.23 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.45 0.00 111 R 7.32 5.02 0.00 1.83 1.98 0.00 3.19 0.00 0.00 3.35 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 112 V 8.23 3.59 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 0.91 0.00 0.00 0.25 0.00 0.00 113 V 8.88 4.59 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 0.74 0.00 0.00 0.99 0.00 0.00 114 K 7.87 5.31 0.00 1.86 1.66 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.48 1.53 7.81 115 A 9.37 5.29 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 0.00 116 L 8.79 4.92 0.00 1.60 1.48 1.00 1.30 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 0.00 117 A 9.13 4.97 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 0.00 118 H 8.79 4.86 0.00 2.83 3.03 0.00 5.76 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Y 8.32 5.12 0.00 2.85 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 0.00 120 A 8.97 4.35 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 0.00 121 G 8.26 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.