NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3233 8.3149 120.1409 56.1939 33.5362 174.9420 7 L 4.5180 8.2219 120.9771 52.4016 43.0075 174.5140 8 H 5.1078 9.1873 117.2180 53.8719 32.7208 172.2956 9 K 4.7156 8.6070 119.1720 55.5475 33.5666 175.8720 10 E 5.0028 9.0255 123.2533 53.6506 33.4550 173.8583 11 P 4.9802 0.0000 0.0000 63.3142 32.3964 174.9124 12 A 4.9232 8.4124 121.5506 51.4194 23.0114 175.5214 13 T 4.6534 8.5669 115.1621 61.3044 72.0814 173.9345 14 L 4.1840 8.6941 127.9957 55.8870 42.4262 175.3427 15 I 4.3805 8.3839 125.7658 61.8527 38.7680 175.6387 16 K 4.5197 7.5876 120.0966 55.4539 35.5849 173.4971 17 A 4.6390 8.6668 129.8458 51.6263 19.7193 176.9640 18 I 4.1584 8.3459 123.3923 62.8534 38.5755 174.7975 19 D 4.5865 8.0166 117.6469 52.9915 44.3761 175.5934 20 G 3.7371 8.8412 109.1970 48.0106 0.0000 173.9924 21 D 4.9020 8.0773 116.5204 52.9745 40.2946 175.2333 22 T 5.2181 7.7910 116.7375 62.3545 72.8104 173.3392 23 V 4.8075 8.8807 117.9219 59.4931 36.6584 174.1492 24 K 5.0742 9.3387 125.3220 55.0546 33.9860 175.2042 25 L 5.3442 9.4126 126.6002 53.1241 46.7430 175.1488 26 M 4.8475 9.4060 121.7819 54.9397 33.7239 174.3433 27 Y 4.8258 9.0956 128.2123 55.6155 41.6452 175.5662 28 K 3.8320 9.0932 128.4473 57.5945 29.3062 176.2153 29 G 3.9786 8.1832 102.8514 45.7421 0.0000 172.5588 30 Q 4.7014 7.6765 116.8361 53.4477 32.2288 172.8979 31 P 5.0377 0.0000 0.0000 63.1560 32.2537 175.5885 32 M 4.9256 9.5368 122.7379 54.3378 37.2225 173.7682 33 T 5.0168 8.3842 117.5252 62.2898 71.1008 173.6148 34 F 5.0108 9.8717 125.2813 55.6114 42.0268 174.1657 35 R 5.0339 8.9656 123.6373 54.3746 32.1177 175.1825 36 L 4.5504 8.6184 127.3081 54.5345 41.8398 177.3958 37 L 3.9513 8.6590 124.6486 55.8577 42.2164 177.8365 38 L 3.8939 8.7772 119.6472 55.3550 39.5241 174.1770 39 V 5.0418 7.3250 110.5910 59.5705 35.5679 174.7885 40 D 5.0616 9.1593 123.3926 52.8771 43.3958 175.4822 41 T 4.8488 8.4053 113.4703 58.9548 71.2475 172.7207 42 P 4.4361 0.0000 0.0000 62.7497 32.1836 175.7864 43 E 4.6925 10.1746 122.7380 55.0259 31.9157 176.7698 44 T 4.3512 8.4594 109.7718 61.6547 70.5269 174.9020 45 K 4.6267 7.7224 120.4505 56.0672 32.7645 176.1079 46 H 4.4089 8.7679 119.9548 56.0866 30.7552 173.9924 47 P 4.1764 0.0000 0.0000 64.8611 31.5380 177.1006 48 K 4.4214 8.0016 115.2648 57.6235 33.6594 177.4566 49 K 4.2349 8.5012 116.0513 56.4929 34.5373 178.9812 50 G 3.7293 8.9148 108.9198 45.6455 0.0000 175.4286 51 V 4.5992 8.7898 125.2451 61.3372 32.8717 174.3053 52 E 4.4850 8.9919 128.4996 54.7004 31.8329 175.7666 53 K 4.1103 8.2466 122.8490 58.1300 32.5517 176.6552 54 Y 4.2393 8.1746 123.3780 59.4179 35.9671 171.1551 55 G 3.6423 8.1887 107.6770 47.4023 0.0000 174.2535 56 P 4.2847 0.0000 0.0000 64.9825 31.3198 178.6726 57 E 4.0085 8.1692 116.8057 59.4485 29.5188 179.1158 58 A 4.0648 8.3098 120.9712 55.0064 18.5273 179.6173 59 S 4.1053 8.3955 111.6816 61.6299 62.4918 176.3624 60 A 4.0473 8.3033 123.5970 54.8727 18.0956 179.1979 61 F 3.8750 8.4312 119.2403 61.8205 39.5131 177.2886 62 T 3.9329 8.0967 115.1413 66.6075 68.2488 176.2480 63 K 3.8498 7.8644 120.7879 59.4852 32.2365 178.5109 64 K 3.8072 8.0515 119.7111 59.7690 31.8691 178.3089 65 M 3.8545 7.6102 117.0228 58.6896 31.9615 178.1700 66 V 3.8516 7.8854 112.2256 63.8181 31.6725 178.4161 67 E 4.0075 8.3472 117.9625 58.8800 29.4502 177.3801 68 N 4.5978 7.8809 113.5428 53.1499 39.0183 175.1996 69 A 4.5231 7.2991 121.2319 51.6916 19.4143 177.9617 70 K 4.2342 8.8414 119.9206 58.2229 32.8479 178.2206 71 K 4.6878 8.6059 117.6315 54.5777 36.2576 175.6769 72 I 4.9720 8.4132 124.7245 59.6721 40.1920 174.4154 73 E 5.1521 9.2203 124.3970 54.7283 33.9660 174.9639 74 V 4.6737 8.8380 115.7357 59.5217 35.1902 174.6959 75 E 4.8781 8.7619 124.1028 54.5715 32.3437 174.9084 76 F 4.6891 8.8923 125.7470 57.5079 40.2318 175.8613 77 D 4.9950 8.4385 120.4820 53.6299 43.1778 175.8215 78 K 4.3476 9.2170 117.0929 57.7719 33.2328 178.2627 79 G 4.2102 8.4294 111.0818 44.5189 0.0000 173.6371 80 Q 4.0869 8.6307 121.6196 56.7318 29.2324 176.6965 81 R 4.6945 8.4334 117.8544 56.6827 31.6672 175.7686 82 T 5.1915 7.6581 108.3931 59.9252 72.3209 173.6175 83 D 4.9079 8.6951 123.7447 51.9338 42.1543 176.8606 84 K 3.9333 8.6545 116.4556 59.2447 32.5785 176.9117 85 Y 4.3422 8.4025 116.6497 57.6379 38.1795 176.4215 86 G 3.9096 8.2763 108.3449 45.3904 0.0000 173.9056 87 R 4.3198 7.9276 118.6410 55.1649 31.8510 176.3029 88 G 3.5257 8.3578 110.2697 46.0887 0.0000 172.6016 89 L 5.3547 8.9120 123.4137 53.1141 43.3788 175.5871 90 A 4.4378 8.3653 124.1905 51.0720 23.7189 173.8497 91 Y 4.8190 8.6899 117.0675 57.0279 39.9301 175.3346 92 I 4.8774 8.6893 124.3660 59.6767 40.3164 174.1316 93 Y 5.0949 9.1994 123.5583 56.0448 41.3849 174.5019 94 A 4.8327 9.0355 125.8607 50.0795 21.2941 176.2917 95 D 4.3302 9.6684 125.0378 56.1018 38.9686 175.6186 96 G 3.9798 8.3028 104.3807 45.5490 0.0000 173.4339 97 K 4.5054 8.1236 120.8388 54.8318 33.6993 175.4870 98 M 3.9107 8.4580 123.4888 54.9935 33.2639 177.0745 99 V 3.6436 8.6988 127.0926 66.0097 31.3735 177.6300 100 N 4.3088 8.0499 115.8337 56.5185 38.4813 176.8052 101 E 3.8936 8.0793 119.7073 59.0240 29.9509 178.1747 102 A 4.0374 8.0685 120.8915 55.3894 18.3901 179.5602 103 L 3.4757 7.9885 117.1816 57.8351 41.6873 180.0506 104 V 3.7114 7.4305 117.6268 66.0503 31.2853 177.9724 105 R 3.9201 8.3100 117.5916 59.1543 29.9266 177.4793 106 Q 4.3570 7.6322 114.6455 54.9783 29.1491 175.9474 107 G 3.8837 7.9719 108.7116 46.7861 0.0000 174.7065 108 L 4.5862 7.5470 116.3767 53.5263 42.4366 176.1336 109 A 4.5725 7.4052 117.8920 51.2007 21.8408 176.3792 110 K 4.8730 8.5198 119.1305 54.2623 35.6832 176.0232 111 V 4.1752 9.1200 123.4775 63.0325 31.9597 176.0885 112 A 4.5990 8.7228 130.6655 51.0508 19.9222 176.1864 113 Y 3.8122 8.5383 120.3795 57.6602 39.1992 175.2615 114 V 3.9260 7.2104 126.8382 61.8259 32.9294 174.8151 115 Y 4.5344 8.1799 123.3947 55.7101 39.2035 175.4332 116 K 4.4060 8.5239 124.5683 56.1333 32.7219 175.2514 117 P 4.7309 0.0000 0.0000 63.1710 31.8350 177.1023 118 N 4.9149 7.9103 118.7233 52.4558 36.9820 174.9550 119 N 5.1272 7.7311 112.0572 53.0376 39.4355 177.1878 120 T 3.8087 8.6807 117.6336 67.6691 68.5936 175.0201 121 H 4.8519 7.8642 116.6614 55.7927 29.1357 176.7407 122 E 3.9593 8.3330 123.0184 59.7883 29.3073 178.9610 123 Q 3.9707 8.0339 117.3194 59.1063 28.9525 177.9608 124 H 4.1451 8.2307 118.7169 59.4898 29.8759 177.1574 125 L 3.9727 8.2276 120.8743 57.7849 41.4035 179.7223 126 R 3.9095 8.3653 118.4637 59.1479 29.9974 179.2587 127 K 3.9580 8.1937 118.3549 59.5563 32.0514 179.6193 128 S 4.0846 7.9315 115.2307 61.4756 62.6176 176.3505 129 E 3.9650 8.4604 122.0386 59.0975 29.3382 178.7407 130 A 3.7305 7.8961 120.9446 55.0276 18.4260 179.3825 131 Q 3.7963 7.9607 117.7957 59.2912 29.2079 178.3764 132 A 4.0208 8.0171 121.7677 54.9212 18.3527 179.8201 133 K 3.0692 7.8121 117.3027 59.2347 31.8100 179.4736 134 K 3.8316 7.6879 118.4873 59.1731 32.1711 177.7365 135 E 4.2314 7.9275 115.9301 55.2644 30.3510 176.0926 136 K 4.1341 7.7331 117.2570 56.1030 30.4659 175.3551 137 L 4.4333 7.9209 117.4979 55.2257 44.7566 178.1882 138 N 3.7239 9.3976 119.0368 54.1575 38.1181 176.3647 139 I 2.9793 5.4200 125.6498 64.5651 37.9650 176.7271 140 W 4.8377 8.1236 118.8153 56.5116 29.1286 176.6412 141 S 4.4704 8.0415 119.7890 58.5747 62.6691 173.9405 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 6 K 8.31 4.32 0.00 1.80 1.84 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.49 7.81 7 L 8.22 4.52 0.00 1.78 1.70 1.00 0.88 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 8 H 9.19 5.11 0.00 3.12 3.26 0.00 5.71 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.61 4.72 0.00 1.57 1.66 0.00 1.39 0.00 0.00 1.35 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.06 1.25 7.81 10 E 9.03 5.00 0.00 2.12 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 2.38 2.30 0.00 11 P 0.00 4.98 0.00 2.10 2.07 0.00 3.83 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 2.01 1.99 0.00 12 A 8.41 4.92 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 13 T 8.57 4.65 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 1.23 0.00 0.00 14 L 8.69 4.18 0.00 1.63 1.57 0.95 1.01 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 I 8.38 4.38 2.04 0.00 0.00 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 1.15 0.86 0.94 0.00 0.00 16 K 7.59 4.52 0.00 1.81 1.60 0.00 1.72 0.00 0.00 1.84 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.43 7.81 17 A 8.67 4.64 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 18 I 8.35 4.16 2.01 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.67 0.91 0.00 0.00 19 D 8.02 4.59 0.00 2.72 2.65 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 20 G 8.84 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 8.08 4.90 0.00 2.83 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 22 T 7.79 5.22 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 1.27 0.00 0.00 23 V 8.88 4.81 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 0.81 0.00 0.00 0.95 0.00 0.00 24 K 9.34 5.07 0.00 1.82 1.82 0.00 1.60 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.60 7.81 25 L 9.41 5.34 0.00 1.71 1.63 0.37 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 26 M 9.41 4.85 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.56 0.00 27 Y 9.10 4.83 0.00 3.27 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 28 K 9.09 3.83 0.00 1.39 1.61 0.00 1.17 0.00 0.00 1.48 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.11 0.77 7.81 29 G 8.18 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 30 Q 7.68 4.70 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.69 6.95 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 31 P 0.00 5.04 0.00 2.01 2.08 0.00 3.70 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 2.06 2.15 0.00 32 M 9.54 4.93 0.00 1.66 2.09 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 33 T 8.38 5.02 4.21 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 1.22 0.00 0.00 34 F 9.87 5.01 0.00 2.90 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 35 R 8.97 5.03 0.00 1.89 1.79 0.00 3.36 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 36 L 8.62 4.55 0.00 1.58 1.61 0.94 0.97 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 37 L 8.66 3.95 0.00 1.30 1.19 0.22 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 38 L 8.78 3.89 0.00 2.02 1.87 1.12 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 39 V 7.32 5.04 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 0.77 0.00 0.00 0.95 0.00 0.00 40 D 9.16 5.06 0.00 2.56 2.56 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 41 T 8.41 4.85 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 42 P 0.00 4.44 0.00 2.23 2.14 0.00 3.54 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 43 E 10.17 4.69 0.00 1.94 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 2.24 2.38 0.00 44 T 8.46 4.35 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 45 K 7.72 4.63 0.00 1.80 1.83 0.00 1.56 0.00 0.00 1.61 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.35 7.81 46 H 8.77 4.41 0.00 3.14 3.40 0.00 5.60 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.18 0.00 1.96 2.01 0.00 3.05 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 48 K 8.00 4.42 0.00 1.86 1.87 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.36 1.44 7.81 49 K 8.50 4.23 0.00 1.61 1.80 0.00 1.56 0.00 0.00 1.50 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.35 1.36 7.81 50 G 8.91 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 V 8.79 4.60 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 0.81 0.00 0.00 0.98 0.00 0.00 52 E 8.99 4.49 0.00 1.93 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 2.21 2.37 0.00 53 K 8.25 4.11 0.00 1.66 1.68 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.72 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.04 0.99 7.81 54 Y 8.17 4.24 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 55 G 8.19 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.28 0.00 2.16 2.11 0.00 3.58 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 57 E 8.17 4.01 0.00 2.38 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 58 A 8.31 4.06 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 59 S 8.40 4.11 0.00 4.02 4.07 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 60 A 8.30 4.05 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 61 F 8.43 3.88 0.00 3.26 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 62 T 8.10 3.93 4.30 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 1.24 0.00 0.00 63 K 7.86 3.85 0.00 1.96 1.99 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.53 1.56 7.81 64 K 8.05 3.81 0.00 1.90 1.58 0.00 1.64 0.00 0.00 1.46 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.38 7.81 65 M 7.61 3.85 0.00 2.02 1.73 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.52 0.00 66 V 7.89 3.85 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 0.82 0.00 0.00 1.02 0.00 0.00 67 E 8.35 4.01 0.00 2.01 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 2.33 2.35 0.00 68 N 7.88 4.60 0.00 2.85 2.81 0.00 0.00 6.99 7.36 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 69 A 7.30 4.52 1.29 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 70 K 8.84 4.23 0.00 1.85 1.87 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.44 1.52 7.81 71 K 8.61 4.69 0.00 1.66 1.65 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.34 1.39 7.81 72 I 8.41 4.97 2.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.23 0.84 0.00 0.00 73 E 9.22 5.15 0.00 1.87 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 2.20 2.26 0.00 74 V 8.84 4.67 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 -0.04 0.00 0.00 0.63 0.00 0.00 75 E 8.76 4.88 0.00 2.17 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 0.00 2.49 2.39 0.00 76 F 8.89 4.69 0.00 3.04 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 77 D 8.44 4.99 0.00 2.73 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 78 K 9.22 4.35 0.00 1.95 1.89 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.51 1.45 7.81 79 G 8.43 4.21 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 0.00 80 Q 8.63 4.09 0.00 2.14 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.78 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 81 R 8.43 4.69 0.00 1.48 1.44 0.00 2.55 0.00 0.00 2.25 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 82 T 7.66 5.19 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 1.14 0.00 0.00 83 D 8.70 4.91 0.00 2.81 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 84 K 8.65 3.93 0.00 1.58 1.77 0.00 1.07 0.00 0.00 1.45 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.06 0.25 7.81 85 Y 8.40 4.34 0.00 3.07 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 86 G 8.28 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 0.00 0.00 0.00 0.00 87 R 7.93 4.32 0.00 2.01 1.80 0.00 3.12 0.00 0.00 3.30 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.69 0.00 88 G 8.36 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.91 5.35 0.00 1.55 1.61 0.92 0.57 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 90 A 8.37 4.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 Y 8.69 4.82 0.00 3.00 2.65 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 92 I 8.69 4.88 1.77 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.79 0.81 0.00 0.00 93 Y 9.20 5.09 0.00 2.85 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 94 A 9.04 4.83 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 95 D 9.67 4.33 0.00 2.80 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 G 8.30 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 97 K 8.12 4.51 0.00 1.93 1.77 0.00 1.68 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.39 7.81 98 M 8.46 3.91 0.00 1.89 1.53 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.44 0.00 99 V 8.70 3.64 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 1.03 0.00 0.00 0.94 0.00 0.00 100 N 8.05 4.31 0.00 2.90 2.93 0.00 0.00 6.78 7.66 0.00 0.00 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 E 8.08 3.89 0.00 1.96 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 2.26 2.17 0.00 102 A 8.07 4.04 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 0.00 103 L 7.99 3.48 0.00 1.82 1.61 0.99 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 104 V 7.43 3.71 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 1.09 0.00 0.00 0.97 0.00 0.00 105 R 8.31 3.92 0.00 1.96 1.94 0.00 3.33 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 106 Q 7.63 4.36 0.00 1.66 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.27 0.00 0.00 0.00 0.00 0.00 2.35 2.11 0.00 107 G 7.97 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 0.00 108 L 7.55 4.59 0.00 1.28 1.48 0.50 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 109 A 7.41 4.57 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 0.00 0.00 0.00 0.00 0.00 110 K 8.52 4.87 0.00 1.74 1.93 0.00 1.60 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.18 1.22 7.81 111 V 9.12 4.18 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 0.77 0.00 0.00 0.97 0.00 0.00 112 A 8.72 4.60 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 0.00 113 Y 8.54 3.81 0.00 2.98 2.97 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 0.00 114 V 7.21 3.93 1.81 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 0.82 0.00 0.00 0.91 0.00 0.00 115 Y 8.18 4.53 0.00 3.06 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 0.00 116 K 8.52 4.41 0.00 1.77 1.78 0.00 1.74 0.00 0.00 1.76 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.41 7.81 117 P 0.00 4.73 0.00 2.21 2.16 0.00 3.81 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 2.07 2.01 0.00 118 N 7.91 4.91 0.00 2.99 2.88 0.00 0.00 6.63 8.16 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 0.00 119 N 7.73 5.13 0.00 2.85 2.96 0.00 0.00 6.08 7.22 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 0.00 120 T 8.68 3.81 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 1.05 0.00 0.00 121 H 7.86 4.85 0.00 2.89 3.13 0.00 5.63 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 0.00 122 E 8.33 3.96 0.00 2.16 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 2.31 2.36 0.00 123 Q 8.03 3.97 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.66 0.00 0.00 0.00 0.00 0.00 2.45 2.36 0.00 124 H 8.23 4.15 0.00 3.21 3.48 0.00 5.87 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 0.00 125 L 8.23 3.97 0.00 1.89 1.72 1.05 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 126 R 8.37 3.91 0.00 2.04 1.95 0.00 3.11 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.76 0.00 127 K 8.19 3.96 0.00 1.91 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.65 7.81 128 S 7.93 4.08 0.00 3.97 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 0.00 129 E 8.46 3.97 0.00 2.15 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 2.22 2.59 0.00 130 A 7.90 3.73 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 0.00 131 Q 7.96 3.80 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 132 A 8.02 4.02 1.52 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 0.00 0.00 133 K 7.81 3.07 0.00 1.46 1.26 0.00 1.15 0.00 0.00 0.83 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.64 7.81 134 K 7.69 3.83 0.00 1.71 1.97 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.43 7.81 135 E 7.93 4.23 0.00 1.99 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 2.29 2.48 0.00 136 K 7.73 4.13 0.00 1.90 1.91 0.00 1.68 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.56 1.35 7.81 137 L 7.92 4.43 0.00 1.81 1.71 0.91 0.82 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 0.00 138 N 9.40 3.72 0.00 2.67 1.67 0.00 0.00 7.12 7.32 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 0.00 139 I 5.42 2.98 1.30 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 -0.29 -0.44 0.00 0.00 140 W 8.12 4.84 0.00 3.41 3.10 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 0.00 141 S 8.04 4.47 0.00 4.03 4.07 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