NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.4134 8.3349 115.2952 58.5278 63.5529 173.0900 4 N 4.8092 8.6074 124.3021 53.1828 39.0115 175.4983 5 Q 4.0297 8.9427 121.3451 59.5289 29.7330 178.5994 6 T 3.8997 7.9031 116.0641 66.6404 68.5771 176.7682 7 V 3.5674 7.7025 119.5208 66.0527 31.6104 177.0812 8 Y 3.5867 8.2182 119.5662 60.8957 38.6372 178.2303 9 Q 3.9925 8.4779 119.0482 58.7612 28.5357 178.5598 10 F 3.8411 7.8626 120.3965 61.2689 39.7841 176.7961 11 I 3.8041 7.8893 119.0645 64.5553 36.7371 178.1599 12 A 3.8153 7.5597 119.9801 54.9164 18.2547 178.7412 13 E 4.2332 7.8457 114.1722 56.8234 30.2756 176.3721 14 N 4.8753 7.5515 117.3256 52.2282 40.1783 176.9758 15 Q 3.8919 8.1811 119.2486 59.2100 28.9868 177.8752 16 N 4.2789 7.8872 117.0125 56.1235 38.6582 177.0653 17 E 3.8354 7.8705 120.2953 59.1253 29.7440 178.6765 18 L 3.2668 8.0520 119.4943 57.2198 41.4952 178.9369 19 L 3.9171 7.8051 120.4729 58.3069 41.8529 178.9318 20 Q 3.8898 7.8066 118.8544 59.0298 28.9510 177.6041 21 L 3.8559 7.7209 121.3716 58.3596 41.9857 179.2012 22 W 4.1341 8.0165 118.8079 59.6979 28.7119 178.8476 23 T 4.0242 8.2048 115.9721 66.9031 67.8930 176.4206 24 D 4.4016 8.4430 121.0057 57.4823 40.8086 178.8133 25 T 3.9020 8.2780 116.5764 66.8664 68.4816 176.4983 26 L 3.9426 8.2535 120.7134 57.6478 41.6165 179.7148 27 K 3.7083 7.9809 118.3699 59.3145 31.7836 178.8788 28 E 3.9115 8.0619 118.3179 59.4909 29.9174 178.6974 29 L 4.1304 8.0056 119.1265 57.5972 41.5230 179.6132 30 S 4.3375 8.4548 114.7206 61.3326 62.6901 176.3437 31 E 4.0263 7.9217 121.0070 58.8298 29.2031 178.1742 32 Q 4.3902 7.8111 115.8228 55.3563 29.2216 175.2698 33 E 4.5174 7.8061 121.1837 54.5102 31.3997 176.3054 34 S 4.3493 8.2927 114.0973 60.8038 63.4451 173.7254 35 Y 4.9781 7.1225 116.5507 55.2101 40.8608 173.9211 36 Q 4.6814 8.6173 119.0048 54.0705 31.5627 176.3000 37 L 4.3508 8.6570 123.4792 54.3803 43.1581 176.2516 38 T 4.5460 7.7379 108.7387 60.6520 70.8135 175.3351 39 D 4.5661 8.6853 121.9472 57.7607 40.6546 178.8343 40 Q 4.0800 8.1314 119.5318 59.1102 29.0706 178.4500 41 V 3.5294 7.4621 119.4066 66.2438 31.5683 177.7289 42 Y 4.4600 7.5813 115.9649 60.9846 37.7623 177.6353 43 E 4.2372 8.8796 121.9764 58.9105 29.7183 178.4631 44 N 4.3749 8.5231 116.6797 56.5893 38.5611 177.3739 45 I 3.8577 7.9080 120.7779 64.5638 37.1819 178.5512 46 S 4.4579 8.4195 115.9488 61.6459 62.7297 176.7548 47 K 4.0484 8.5092 122.3233 59.6828 31.7910 178.5714 48 E 4.0658 8.5381 118.9597 59.6516 29.3372 178.7362 49 Y 4.3676 8.6799 119.8448 60.9273 38.9506 178.1033 50 I 3.8812 8.3923 120.8886 64.7500 37.3687 178.1425 51 D 4.4281 8.4112 119.5926 57.2675 40.3947 178.7963 52 I 3.6820 7.5169 119.3762 64.4555 37.3722 177.9568 53 L 4.0559 7.8771 119.7415 58.0000 41.3181 179.6182 54 L 4.1999 7.9079 116.7478 56.7957 41.6832 178.5034 55 L 4.4835 7.7569 116.9766 55.2737 41.9352 177.1736 56 S 5.1065 8.4045 115.7520 56.9869 63.5114 176.5931 57 V 3.8660 8.2057 122.7255 64.7313 30.9916 177.1656 58 K 4.0860 7.9130 120.2616 57.2857 32.6126 175.6394 59 D 4.3606 6.9193 116.5892 52.9777 42.1500 175.4004 60 E 4.1789 8.6054 115.8885 57.7612 30.2767 177.4052 61 N 4.4144 8.7144 118.5519 56.3051 38.9362 177.1619 62 A 3.9204 8.0748 119.5579 55.1591 18.6794 177.6043 63 A 4.6555 7.7896 116.4937 51.8445 19.0245 178.5003 64 E 3.9185 8.1155 121.4739 61.2473 29.5089 179.4713 65 S 4.1747 8.0091 113.3231 61.4908 63.2061 176.1854 66 Q 4.0367 8.0271 121.2018 58.7524 28.4757 178.5875 67 I 3.8592 7.9725 120.9429 64.3234 37.1724 178.3895 68 S 4.0814 8.1573 113.9296 61.5292 62.2431 176.0313 69 E 3.9807 8.2305 121.2215 59.3015 29.0928 179.2373 70 L 4.1971 8.4961 121.5201 57.5747 42.3087 178.7905 71 A 4.1310 8.2508 120.9021 55.1927 18.3578 179.3833 72 L 3.7126 7.9832 118.8333 58.0418 42.1390 179.0872 73 R 3.8330 8.1820 118.5034 59.3642 29.9658 178.0145 74 A 4.1190 8.3082 120.8910 55.4399 18.2178 179.7512 75 V 3.4630 7.5320 116.1264 66.3866 31.3386 178.3429 76 Q 3.9816 7.8322 116.5538 58.6518 28.6451 178.1646 77 I 4.0861 7.7903 112.2152 61.8561 37.9165 176.7693 78 G 4.0903 7.8004 109.2012 45.5036 0.0000 173.2009 79 L 4.2235 8.0159 120.4868 53.8142 43.1638 177.8970 80 S 5.1434 8.1066 121.6942 57.2416 62.6547 176.1796 *82 K 3.9713 8.8010 116.9444 56.1607 33.6808 177.2577 83 F 3.8408 8.4398 120.3992 61.0586 39.2154 176.5681 84 L 3.8355 8.2264 120.0057 58.3878 41.8836 178.9290 85 A 3.9085 7.5561 119.8761 55.2239 18.2705 179.5177 86 T 3.5781 7.8198 114.1610 66.5444 68.4156 176.5752 87 A 3.4590 7.7098 122.8335 55.0930 18.1803 179.7535 88 L 3.1024 7.5432 117.1933 57.2917 41.6222 179.6448 89 A 4.0912 7.8886 120.7707 55.4112 18.3973 179.5400 90 E 3.6672 7.9161 116.8753 59.3357 29.3948 179.3402 91 F 4.1923 8.2522 118.5305 60.7214 38.9314 177.8444 92 W 4.0717 7.8343 115.9862 59.3213 28.0083 178.5516 93 K 3.4454 6.8586 119.3186 59.0449 31.3739 179.5355 94 R 4.0108 8.4447 118.9442 58.8683 29.7034 178.8160 95 L 4.0067 8.0243 119.7364 58.2067 42.2267 177.8619 96 Y 4.2772 7.9829 118.2940 61.2397 39.0206 177.9013 97 T 3.7822 7.7786 115.8212 66.6127 68.2617 176.7036 98 K 3.8381 7.5996 115.5552 57.8184 31.8080 178.0006 *100 N 4.3499 8.0249 119.9409 53.6111 40.3025 176.1732 101 D 4.3875 7.8860 116.3285 56.3333 40.9148 177.1729 102 K 4.5160 7.2012 116.6318 55.7129 32.6756 176.5425 103 R 4.2667 7.3532 115.6634 55.7484 30.1928 176.5104 104 L 4.3716 9.4615 120.4270 53.4679 42.5677 176.3450 105 P 4.2606 0.0000 0.0000 65.7166 31.3617 177.4556 106 D 4.5696 7.9265 115.9894 55.7349 41.5151 176.8912 107 Q 4.0869 7.6994 118.9452 55.9117 29.0963 176.1302 108 E 4.4970 8.6220 122.8711 55.2156 31.9901 177.3672 109 S 4.2490 8.7327 119.3460 62.3098 62.9789 177.3690 110 T 3.7276 7.8641 117.6933 66.5125 68.3145 176.1060 111 E 4.1156 8.2667 120.7870 59.2912 29.6219 178.4329 112 L 4.2857 7.9276 121.6164 57.6895 42.0825 178.9205 113 I 3.6451 7.9941 119.9222 64.3787 37.0257 178.5606 114 W 4.6107 7.7964 119.4897 59.7813 28.3530 178.7387 115 Q 4.1618 8.3648 118.3935 58.8887 28.0673 178.7084 116 I 4.0265 8.1062 120.9864 64.4507 37.1466 177.7175 117 D 4.0173 8.2437 119.2178 57.5273 40.7817 178.4569 118 R 3.9212 7.9390 117.5556 59.2862 30.1209 178.0457 119 F 4.1892 8.0737 119.1543 61.3943 39.7319 176.8437 120 F 4.1850 8.7369 117.5612 60.0195 38.8545 177.8910 121 S 4.0666 8.4151 113.5136 60.9532 62.2430 174.6202 122 P 4.2660 0.0000 0.0000 64.9894 30.9917 178.5763 123 I 3.5321 7.4433 119.3623 64.3766 37.0824 177.8048 124 N 4.0137 8.2014 117.5566 56.3859 37.9688 177.5203 125 T 3.6584 7.8519 111.3288 64.8193 68.7046 176.0792 126 E 3.9762 7.9290 121.6068 58.8508 29.5563 178.7029 127 I 3.7414 7.7507 120.0048 64.3961 37.2592 178.1031 128 F 4.5603 7.8076 118.6561 60.9429 38.8465 177.1525 129 N 4.4050 8.4835 116.4650 57.1392 38.6852 176.8928 130 Q 4.1077 8.4106 119.2194 58.6319 28.3336 177.8459 131 Y 3.9369 8.4397 121.1529 60.9285 38.8010 178.3186 132 S 4.3820 8.3690 113.7947 61.5932 62.3000 176.1593 133 I 3.7864 7.7272 121.7257 64.1827 36.8679 177.8775 134 S 4.0966 7.9296 115.6066 61.6322 62.7010 176.6751 135 W 4.4524 7.2652 119.5338 59.3317 29.1698 176.6416 136 E 4.3225 8.4668 122.6833 56.7792 29.2360 176.2596 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 S 8.33 4.41 0.00 3.86 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 N 8.61 4.81 0.00 3.18 3.07 0.00 0.00 7.14 6.85 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 5 Q 8.94 4.03 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.09 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.56 0.00 6 T 7.90 3.90 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 1.25 0.00 0.00 7 V 7.70 3.57 1.92 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 0.90 0.00 0.00 1.04 0.00 0.00 8 Y 8.22 3.59 0.00 2.99 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 9 Q 8.48 3.99 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.57 0.00 0.00 0.00 0.00 0.00 2.46 2.56 0.00 10 F 7.86 3.84 0.00 3.16 3.21 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 11 I 7.89 3.80 1.74 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 1.69 0.99 0.91 0.00 0.00 12 A 7.56 3.82 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 13 E 7.85 4.23 0.00 1.75 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 2.22 2.36 0.00 14 N 7.55 4.88 0.00 2.24 2.37 0.00 0.00 6.88 7.73 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 15 Q 8.18 3.89 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.38 6.92 0.00 0.00 0.00 0.00 0.00 2.38 2.64 0.00 16 N 7.89 4.28 0.00 2.65 2.80 0.00 0.00 6.75 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 17 E 7.87 3.84 0.00 1.88 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 2.28 2.31 0.00 18 L 8.05 3.27 0.00 1.20 0.32 0.82 0.04 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 19 L 7.81 3.92 0.00 1.86 1.82 1.07 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 20 Q 7.81 3.89 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.52 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 21 L 7.72 3.86 0.00 1.68 1.29 0.89 0.85 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 22 W 8.02 4.13 0.00 3.19 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 0.00 0.00 0.00 23 T 8.20 4.02 4.43 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 1.36 0.00 0.00 24 D 8.44 4.40 0.00 2.85 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.28 3.90 4.68 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 1.34 0.00 0.00 26 L 8.25 3.94 0.00 1.73 1.24 1.33 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 27 K 7.98 3.71 0.00 1.98 1.88 0.00 1.92 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.64 1.68 7.81 28 E 8.06 3.91 0.00 2.03 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 0.00 2.30 2.34 0.00 29 L 8.01 4.13 0.00 1.54 1.41 0.50 0.46 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 30 S 8.45 4.34 0.00 4.09 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 31 E 7.92 4.03 0.00 2.17 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 2.61 2.52 0.00 32 Q 7.81 4.39 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.74 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 33 E 7.81 4.52 0.00 2.00 1.65 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 2.32 2.09 0.00 34 S 8.29 4.35 0.00 4.04 4.02 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 35 Y 7.12 4.98 0.00 3.01 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 36 Q 8.62 4.68 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.02 0.00 0.00 0.00 0.00 0.00 2.32 2.54 0.00 37 L 8.66 4.35 0.00 0.91 1.40 0.84 0.88 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 38 T 7.74 4.55 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 39 D 8.69 4.57 0.00 2.85 2.86 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 40 Q 8.13 4.08 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.91 0.00 0.00 0.00 0.00 0.00 2.44 2.50 0.00 41 V 7.46 3.53 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.83 0.00 0.00 42 Y 7.58 4.46 0.00 3.31 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 43 E 8.88 4.24 0.00 2.17 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 2.39 2.30 0.00 44 N 8.52 4.37 0.00 3.12 2.93 0.00 0.00 7.09 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 45 I 7.91 3.86 2.32 0.00 0.00 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 1.68 0.95 1.14 0.00 0.00 46 S 8.42 4.46 0.00 4.20 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 K 8.51 4.05 0.00 2.03 2.05 0.00 1.60 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.61 7.81 48 E 8.54 4.07 0.00 2.49 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 2.41 2.41 0.00 49 Y 8.68 4.37 0.00 3.32 3.41 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 50 I 8.39 3.88 2.16 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 1.89 1.30 0.98 0.00 0.00 51 D 8.41 4.43 0.00 2.94 2.76 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 52 I 7.52 3.68 1.93 0.00 0.00 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 1.54 0.61 0.81 0.00 0.00 53 L 7.88 4.06 0.00 1.86 1.92 1.33 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 54 L 7.91 4.20 0.00 1.68 1.82 0.90 0.46 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 55 L 7.76 4.48 0.00 1.83 1.73 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.40 5.11 0.00 3.75 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 V 8.21 3.87 1.15 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 0.48 0.00 0.00 0.43 0.00 0.00 58 K 7.91 4.09 0.00 1.69 1.81 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.39 7.81 59 D 6.92 4.36 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.61 4.18 0.00 2.00 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 2.22 2.37 0.00 61 N 8.71 4.41 0.00 2.88 2.87 0.00 0.00 6.79 7.34 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 62 A 8.07 3.92 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 63 A 7.79 4.66 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 64 E 8.12 3.92 0.00 2.10 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 2.32 2.35 0.00 65 S 8.01 4.17 0.00 4.09 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 66 Q 8.03 4.04 0.00 2.31 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 67 I 7.97 3.86 2.06 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.68 0.93 0.00 0.00 68 S 8.16 4.08 0.00 3.90 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 69 E 8.23 3.98 0.00 2.29 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 2.40 0.00 70 L 8.50 4.20 0.00 1.86 1.90 1.10 1.13 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 71 A 8.25 4.13 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.98 3.71 0.00 1.85 1.79 0.72 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.18 3.83 0.00 2.11 2.10 0.00 3.21 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 74 A 8.31 4.12 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 75 V 7.53 3.46 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 0.33 0.00 0.00 -0.06 0.00 0.00 76 Q 7.83 3.98 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.36 0.00 77 I 7.79 4.09 1.89 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 1.83 0.58 0.94 0.00 0.00 78 G 7.80 4.09 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 0.00 0.00 0.00 79 L 8.02 4.22 0.00 1.92 1.79 1.16 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.11 5.14 0.00 4.03 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 *82 K 8.80 3.97 0.00 1.80 1.84 0.00 1.49 0.00 0.00 1.65 0.00 0.00 2.87 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.44 7.81 83 F 8.44 3.84 0.00 3.15 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 8.23 3.84 0.00 1.84 1.49 0.94 1.50 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 85 A 7.56 3.91 0.71 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 0.00 0.00 86 T 7.82 3.58 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 0.99 0.00 0.00 87 A 7.71 3.46 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.54 3.10 0.00 1.72 1.65 0.93 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.89 4.09 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 90 E 7.92 3.67 0.00 2.01 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 2.26 2.36 0.00 91 F 8.25 4.19 0.00 2.74 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 0.00 0.00 0.00 0.00 92 W 7.83 4.07 0.00 2.95 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 93 K 6.86 3.45 0.00 1.32 1.44 0.00 1.20 0.00 0.00 1.10 0.00 0.00 2.48 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.21 7.81 94 R 8.44 4.01 0.00 2.09 2.06 0.00 3.22 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.77 0.00 95 L 8.02 4.01 0.00 2.05 2.21 1.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 96 Y 7.98 4.28 0.00 3.11 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 97 T 7.78 3.78 4.37 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 1.16 0.00 0.00 98 K 7.60 3.84 0.00 1.94 1.95 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.60 7.81 *100 N 8.02 4.35 0.00 1.64 2.18 0.00 0.00 7.12 8.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 D 7.89 4.39 0.00 2.83 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 0.00 102 K 7.20 4.52 0.00 1.65 1.86 0.00 2.04 0.00 0.00 2.06 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.37 7.81 103 R 7.35 4.27 0.00 1.89 1.97 0.00 3.24 0.00 0.00 3.19 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 104 L 9.46 4.37 0.00 1.82 1.63 0.93 0.78 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 0.00 105 P 0.00 4.26 0.00 2.04 2.15 0.00 3.67 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 2.04 2.14 0.00 106 D 7.93 4.57 0.00 2.67 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 7.70 4.09 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.73 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 108 E 8.62 4.50 0.00 2.06 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 109 S 8.73 4.25 0.00 3.93 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 0.00 110 T 7.86 3.73 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 1.35 0.00 0.00 111 E 8.27 4.12 0.00 2.13 2.22 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 2.47 2.48 0.00 112 L 7.93 4.29 0.00 1.87 1.98 0.90 0.82 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 0.00 113 I 7.99 3.65 1.41 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.58 0.33 0.00 0.00 114 W 7.80 4.61 0.00 3.42 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 Q 8.36 4.16 0.00 2.39 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 116 I 8.11 4.03 2.12 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.00 1.10 0.00 0.00 117 D 8.24 4.02 0.00 2.61 3.01 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 0.00 118 R 7.94 3.92 0.00 2.12 2.22 0.00 3.37 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 119 F 8.07 4.19 0.00 3.09 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 0.00 120 F 8.74 4.19 0.00 3.13 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 0.00 121 S 8.42 4.07 0.00 3.89 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 P 0.00 4.27 0.00 2.36 2.23 0.00 3.74 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.83 0.00 123 I 7.44 3.53 1.84 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.16 0.79 0.00 0.00 124 N 8.20 4.01 0.00 2.71 2.38 0.00 0.00 6.86 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 T 7.85 3.66 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 1.27 0.00 0.00 126 E 7.93 3.98 0.00 2.19 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 2.27 2.38 0.00 127 I 7.75 3.74 1.82 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 1.58 0.63 1.03 0.00 0.00 128 F 7.81 4.56 0.00 3.16 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 N 8.48 4.41 0.00 3.04 3.01 0.00 0.00 7.33 6.68 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 0.00 130 Q 8.41 4.11 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 131 Y 8.44 3.94 0.00 3.30 3.25 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 0.00 132 S 8.37 4.38 0.00 4.17 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 0.00 133 I 7.73 3.79 1.99 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 1.56 0.76 0.92 0.00 0.00 134 S 7.93 4.10 0.00 3.57 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 W 7.27 4.45 0.00 3.27 3.21 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 0.00 136 E 8.47 4.32 0.00 2.04 1.93 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 2.38 2.39 0.00 * Residues marked with a * may have inaccurate shift predictions.