NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4549 8.3349 115.4139 57.6493 64.4080 172.9659 2 V 3.7284 8.0118 113.5928 60.6483 32.7833 175.3917 3 D 4.9257 8.7525 130.7892 54.4359 40.4018 176.9197 *6 D 4.5760 8.6796 117.3458 53.2929 42.2002 174.4373 7 L 4.8406 7.4945 118.3301 51.8030 44.5846 174.4106 8 P 4.4411 0.0000 0.0000 62.8102 31.8327 176.2136 9 R 4.9106 8.3919 120.7214 54.5057 33.0756 175.3404 10 S 4.5754 8.7271 120.2909 57.9674 64.4929 173.6929 11 R 5.3196 8.8998 124.0721 55.4601 30.4385 175.6795 12 I 4.6611 8.2320 116.7525 59.1496 41.4645 173.1142 13 N 4.6987 8.2398 118.5870 50.3411 39.9675 174.1154 14 A 4.4393 9.2050 121.0504 55.3797 18.4551 180.3526 15 G 3.8704 7.4389 105.8428 45.3476 0.0000 174.8675 *17 L 4.4550 8.1342 120.8523 54.4410 43.7642 179.6165 18 A 4.0896 8.0854 119.8355 55.1942 18.4898 178.6448 19 Q 4.1253 8.2004 113.3607 58.1144 29.2247 176.8533 20 F 4.5811 8.0649 116.3321 56.8019 39.3621 175.2502 21 I 3.8085 7.7831 121.3079 63.3639 37.0728 175.7134 22 D 4.6181 8.9384 123.1987 54.4463 40.7590 173.2681 23 K 4.7108 7.9133 117.3236 54.7015 34.7290 174.2086 24 P 4.9696 0.0000 0.0000 62.9742 32.6434 175.8905 25 V 5.1218 9.2926 116.7790 59.8932 37.1682 173.8784 26 C 5.1300 9.3513 121.6615 57.8379 34.4929 172.2844 27 F 4.9022 9.5184 129.6025 56.4181 41.4996 173.7292 28 V 4.4641 7.8744 126.3270 61.2753 33.0780 174.6997 29 G 4.1868 8.4349 113.3989 45.6586 0.0000 171.5308 30 R 4.8760 9.0011 121.2025 54.7822 31.4662 175.3604 31 L 4.3885 8.7331 129.6366 55.8979 41.8973 176.0676 32 E 4.5682 8.9638 125.9688 57.5415 31.7972 176.5600 33 K 4.3077 7.5151 116.0118 55.6527 35.5842 173.7066 34 I 4.7906 8.3504 127.4566 59.4159 39.2829 175.1757 35 H 4.2594 8.9030 126.5665 55.4104 30.4501 174.1303 36 P 3.8064 0.0000 0.0000 65.8549 31.2383 177.7006 37 T 4.0050 8.1088 106.4221 62.2556 69.3509 175.2409 38 G 4.0068 9.1817 111.6870 46.3595 0.0000 174.0891 39 K 4.7831 7.7173 118.0357 55.6279 33.3447 175.7589 *41 F 5.0480 8.0736 113.5351 56.9627 40.0272 173.3139 42 I 4.9350 8.6550 120.1376 59.5824 39.9073 174.8101 43 L 5.5122 8.6974 125.8873 52.9354 45.5194 175.4123 44 S 5.4095 9.0567 117.8675 56.7906 65.7700 174.2940 45 D 4.7358 8.9468 123.3433 52.2804 41.0948 176.9004 46 G 3.9109 8.5824 106.4011 46.9917 0.0000 173.8316 47 E 4.4244 8.3240 117.8419 55.5168 30.1381 176.4629 48 G 3.9379 8.2104 106.5543 46.0019 0.0000 173.6584 49 K 4.6176 8.4736 119.3650 54.8527 34.1092 175.7840 50 N 5.2202 8.7847 120.9814 52.6551 40.2079 174.7501 51 G 3.8999 9.1657 108.8833 44.6659 0.0000 171.5229 52 T 4.8722 8.1856 120.0359 61.9709 70.5670 173.5306 53 I 4.5270 8.2578 127.4848 59.3645 39.2371 174.9380 54 E 4.7069 9.2140 126.2914 54.5198 32.2068 175.0544 55 L 5.0161 8.1997 123.0734 54.3125 45.1762 175.8539 *57 E 4.1568 8.7367 123.3226 56.3894 30.7302 173.7490 58 P 4.6902 0.0000 0.0000 62.0439 32.0577 176.7522 59 L 4.0846 8.6513 122.2099 55.8656 41.9314 177.1633 60 D 4.9755 8.5011 121.5337 52.4306 39.7862 175.4923 61 E 4.6537 7.5613 114.3934 55.9120 31.7292 174.1446 62 E 4.1219 8.7299 122.1384 55.6066 30.2200 175.9106 63 I 4.6836 7.9826 118.9693 58.7167 39.9370 174.3402 64 S 4.3880 8.6470 114.8189 58.5926 66.1499 176.2409 65 G 3.7888 8.3382 107.3031 46.3715 0.0000 172.7651 66 I 4.5208 7.8742 123.0404 60.4373 38.8258 175.3498 67 V 4.6585 8.6573 126.6605 60.8970 35.0807 173.5136 68 E 4.7789 9.0442 128.8892 54.4807 31.6219 174.3855 69 V 5.0126 8.8162 127.3521 61.1760 34.3175 174.1982 70 V 4.8151 8.6940 127.8881 61.5366 34.0874 175.1809 71 G 4.0619 7.9837 112.0934 46.4122 0.0000 171.0053 72 R 5.2036 7.6833 119.7033 54.1485 32.8012 176.6454 73 V 4.2790 8.5041 127.1197 63.2565 32.8224 176.2526 74 T 4.5198 9.0200 118.7725 60.2611 70.1504 175.3335 75 A 3.9752 8.4595 123.7659 55.1842 18.2508 178.6329 76 K 4.1045 7.7645 112.6869 56.3407 32.2776 176.8568 77 A 3.6779 7.8540 121.1068 53.3329 16.5735 177.6932 78 T 4.4534 7.5272 109.5534 62.2011 72.1633 172.9088 79 I 4.7235 8.2630 122.3997 59.3237 39.8828 175.2148 80 L 4.5782 8.6551 130.2211 54.3242 42.6319 175.0920 81 C 4.8849 9.0044 129.1170 59.5672 31.5018 173.2369 82 T 4.6275 8.7213 116.6231 62.4393 70.2331 174.2756 83 S 4.7715 7.9082 115.1336 58.3276 65.8563 173.6937 84 Y 5.9403 8.1659 117.0982 57.2831 40.4976 174.0151 85 V 4.6567 8.3024 118.6157 60.3923 35.4420 173.6152 86 Q 4.8123 8.7442 121.6896 55.1418 30.2450 175.1715 87 F 4.7693 9.0944 124.4195 56.9800 39.6628 175.5664 88 K 4.1693 8.6205 123.3010 57.1446 31.7911 176.4455 89 E 5.1448 8.9520 120.5336 54.7578 30.9704 177.0388 90 D 4.5950 8.3233 119.5262 54.9134 39.9001 176.8941 91 S 4.6251 7.4914 111.1526 58.9012 64.9757 174.2998 92 H 4.8935 7.8439 117.3909 52.9680 32.4098 170.8724 93 P 4.5901 0.0000 0.0000 62.4975 31.9228 175.6437 94 F 4.3973 9.4321 124.4469 57.9851 40.0008 175.8359 95 D 4.4676 7.7905 127.4879 53.1565 40.2972 176.1373 96 L 4.2169 8.2148 128.4666 57.3080 42.4807 178.4966 97 G 3.5476 8.0492 105.6678 47.6847 0.0000 175.2855 98 L 3.9277 8.1266 123.2072 57.8074 41.9802 178.3584 99 Y 3.9910 7.8440 119.5120 60.6837 38.7771 177.4621 100 N 4.1205 8.4482 118.0958 56.9176 38.9789 176.6435 101 E 3.9370 8.0087 119.2579 59.2188 29.3988 179.2350 102 A 3.8376 7.7782 121.0088 54.8968 18.2823 179.7481 103 V 3.2785 7.5775 117.1617 66.0584 31.5025 178.4859 104 K 4.0172 8.0188 118.1449 59.3627 31.7785 179.4549 105 I 3.8755 7.9032 120.1393 64.4797 36.8312 178.1654 106 I 3.5444 7.5998 119.7089 65.1183 37.0446 177.7657 107 H 4.4672 7.8687 114.4723 58.1321 28.7296 176.9412 108 D 4.5481 8.0500 119.7358 55.0349 41.9534 176.6379 109 F 5.0306 8.5177 118.5961 55.8182 39.7805 175.0930 110 P 4.4255 0.0000 0.0000 65.8184 31.6472 178.8661 111 Q 3.8291 7.9225 116.8641 57.9224 28.5644 176.8537 112 F 5.0085 8.0275 114.5188 57.3860 39.8015 176.1317 113 Y 4.7830 7.5525 120.9090 56.1197 39.6223 172.1878 114 P 4.3013 0.0000 0.0000 61.9271 32.5280 176.8620 115 L 4.1439 8.4528 125.0579 54.6437 41.0627 177.0536 116 G 3.8037 8.4220 116.4543 43.8966 0.0000 170.5680 117 I 3.4926 8.3573 112.4818 62.0838 37.4929 176.0435 118 V 3.5984 8.5100 124.0580 63.2220 32.3591 172.4816 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 1 S 8.33 4.45 0.00 4.00 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 2 V 8.01 3.73 2.09 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 0.67 0.00 0.00 0.95 0.00 0.00 3 D 8.75 4.93 0.00 2.62 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 0.00 0.00 0.00 0.00 *6 D 8.68 4.58 0.00 2.87 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 7 L 7.49 4.84 0.00 1.63 1.59 0.95 1.08 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 8 P 0.00 4.44 0.00 2.09 2.02 0.00 3.65 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 2.05 2.12 0.00 9 R 8.39 4.91 0.00 1.71 1.76 0.00 3.25 0.00 0.00 3.27 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.67 0.00 10 S 8.73 4.58 0.00 3.68 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 11 R 8.90 5.32 0.00 1.70 1.93 0.00 3.32 0.00 0.00 4.01 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 12 I 8.23 4.66 1.60 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.69 0.04 0.00 0.00 13 N 8.24 4.70 0.00 2.95 2.71 0.00 0.00 5.96 7.26 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 14 A 9.20 4.44 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.44 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 0.00 0.00 0.00 *17 L 8.13 4.45 0.00 1.90 1.81 0.89 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.09 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 19 Q 8.20 4.13 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.38 0.00 0.00 0.00 0.00 0.00 2.39 2.46 0.00 20 F 8.06 4.58 0.00 3.12 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 21 I 7.78 3.81 1.87 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 1.55 0.74 0.97 0.00 0.00 22 D 8.94 4.62 0.00 2.78 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 23 K 7.91 4.71 0.00 2.22 1.94 0.00 1.36 0.00 0.00 1.68 0.00 0.00 2.65 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.42 1.59 7.81 24 P 0.00 4.97 0.00 2.31 2.03 0.00 3.63 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 2.16 2.16 0.00 25 V 9.29 5.12 2.15 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 0.87 0.00 0.00 1.03 0.00 0.00 26 C 9.35 5.13 0.00 2.97 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 27 F 9.52 4.90 0.00 3.06 2.77 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 28 V 7.87 4.46 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 0.02 0.00 0.00 0.45 0.00 0.00 29 G 8.43 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 9.00 4.88 0.00 1.89 1.84 0.00 3.13 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 31 L 8.73 4.39 0.00 1.55 1.51 0.75 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.96 4.57 0.00 1.96 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 2.50 2.40 0.00 33 K 7.52 4.31 0.00 1.78 1.60 0.00 1.68 0.00 0.00 1.83 0.00 0.00 2.85 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.34 1.38 7.81 34 I 8.35 4.79 1.86 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.70 0.93 0.00 0.00 35 H 8.90 4.26 0.00 3.16 3.17 0.00 5.69 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 P 0.00 3.81 0.00 1.98 2.06 0.00 2.95 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 2.00 0.00 37 T 8.11 4.01 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 1.29 0.00 0.00 38 G 9.18 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 K 7.72 4.78 0.00 1.68 1.76 0.00 1.71 0.00 0.00 1.88 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.55 1.56 7.81 *41 F 8.07 5.05 0.00 3.19 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 42 I 8.65 4.93 1.90 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 1.24 0.95 0.91 0.00 0.00 43 L 8.70 5.51 0.00 1.69 1.75 1.11 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 44 S 9.06 5.41 0.00 3.92 4.14 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 45 D 8.95 4.74 0.00 2.80 2.77 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 46 G 8.58 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 47 E 8.32 4.42 0.00 2.10 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 2.21 2.41 0.00 48 G 8.21 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.47 4.62 0.00 1.91 1.77 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.44 7.81 50 N 8.78 5.22 0.00 2.62 2.74 0.00 0.00 6.69 7.65 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 51 G 9.17 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 52 T 8.19 4.87 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 1.08 0.00 0.00 53 I 8.26 4.53 0.56 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 0.79 0.23 0.38 0.00 0.00 54 E 9.21 4.71 0.00 1.76 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 2.11 2.11 0.00 55 L 8.20 5.02 0.00 1.58 1.60 1.13 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 *57 E 8.74 4.16 0.00 2.02 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 2.23 2.31 0.00 58 P 0.00 4.69 0.00 2.06 2.17 0.00 3.72 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 2.04 2.12 0.00 59 L 8.65 4.08 0.00 1.58 1.78 0.70 0.79 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 60 D 8.50 4.98 0.00 2.78 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 61 E 7.56 4.65 0.00 2.07 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 2.27 2.32 0.00 62 E 8.73 4.12 0.00 1.91 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 0.00 2.25 2.31 0.00 63 I 7.98 4.68 1.58 0.00 0.00 -0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.67 1.47 0.68 0.00 0.00 64 S 8.65 4.39 0.00 3.92 3.80 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 65 G 8.34 3.79 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 0.00 0.00 0.00 66 I 7.87 4.52 1.75 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 1.33 0.98 0.26 0.00 0.00 67 V 8.66 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 0.90 0.00 0.00 0.78 0.00 0.00 68 E 9.04 4.78 0.00 1.44 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 2.26 2.18 0.00 69 V 8.82 5.01 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 0.96 0.00 0.00 1.09 0.00 0.00 70 V 8.69 4.82 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.00 0.00 0.00 71 G 7.98 4.06 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 0.00 72 R 7.68 5.20 0.00 1.92 1.78 0.00 3.12 0.00 0.00 3.41 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 73 V 8.50 4.28 2.42 0.00 0.00 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 1.06 0.00 0.00 74 T 9.02 4.52 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 75 A 8.46 3.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 K 7.76 4.10 0.00 1.68 1.83 0.00 1.83 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.50 7.81 77 A 7.85 3.68 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 78 T 7.53 4.45 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 1.15 0.00 0.00 79 I 8.26 4.72 1.67 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.69 0.87 0.00 0.00 80 L 8.66 4.58 0.00 1.75 1.56 0.96 0.60 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 81 C 9.00 4.88 0.00 2.95 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 82 T 8.72 4.63 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 1.23 0.00 0.00 83 S 7.91 4.77 0.00 3.80 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 Y 8.17 5.94 0.00 3.09 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 85 V 8.30 4.66 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 1.11 0.00 0.00 0.98 0.00 0.00 86 Q 8.74 4.81 0.00 2.09 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.14 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 87 F 9.09 4.77 0.00 2.58 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 88 K 8.62 4.17 0.00 1.87 1.82 0.00 1.50 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.34 1.45 7.81 89 E 8.95 5.14 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 2.49 2.32 0.00 90 D 8.32 4.60 0.00 2.77 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 91 S 7.49 4.63 0.00 3.90 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 92 H 7.84 4.89 0.00 3.24 3.22 0.00 5.81 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 P 0.00 4.59 0.00 2.23 2.10 0.00 3.81 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 94 F 9.43 4.40 0.00 3.02 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 95 D 7.79 4.47 0.00 2.60 2.28 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 96 L 8.21 4.22 0.00 1.94 1.71 1.08 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.05 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.13 3.93 0.00 1.71 1.71 0.87 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 7.84 3.99 0.00 3.17 3.19 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 0.00 100 N 8.45 4.12 0.00 2.98 2.93 0.00 0.00 7.27 8.05 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 0.00 101 E 8.01 3.94 0.00 2.15 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 2.48 2.44 0.00 102 A 7.78 3.84 1.17 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 0.00 0.00 103 V 7.58 3.28 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 0.98 0.00 0.00 0.35 0.00 0.00 104 K 8.02 4.02 0.00 1.99 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.50 7.81 105 I 7.90 3.88 1.93 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 1.65 0.86 0.82 0.00 0.00 106 I 7.60 3.54 1.84 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 0.45 0.19 0.68 0.00 0.00 107 H 7.87 4.47 0.00 3.13 3.42 0.00 5.65 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.05 4.55 0.00 2.86 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 0.00 109 F 8.52 5.03 0.00 3.29 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.43 0.00 2.22 2.35 0.00 3.79 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 111 Q 7.92 3.83 0.00 0.93 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.09 0.00 0.00 0.00 0.00 0.00 2.11 2.25 0.00 112 F 8.03 5.01 0.00 3.16 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 0.00 113 Y 7.55 4.78 0.00 2.97 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 0.00 114 P 0.00 4.30 0.00 2.18 1.94 0.00 3.56 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.04 0.00 115 L 8.45 4.14 0.00 1.67 1.67 1.02 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 116 G 8.42 3.80 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 0.00 0.00 0.00 117 I 8.36 3.49 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.63 0.91 0.00 0.00 118 V 8.51 3.60 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 0.73 0.00 0.00 0.92 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.