NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.5872 8.2227 120.2065 53.3071 43.8776 176.8038 7 W 4.1635 8.3702 127.4279 60.0780 31.0114 176.0837 8 N 3.8637 8.8421 116.7467 57.0758 38.6267 175.7985 9 S 4.0326 7.6388 114.1950 61.7461 62.2895 176.2614 10 Q 3.9300 8.3319 120.9115 58.5692 28.4117 178.6200 11 V 3.3616 7.1444 118.8538 65.8639 31.5439 178.0145 12 I 3.5540 7.5588 119.7365 64.3347 36.9540 178.3776 13 Q 4.0154 8.2172 118.7265 59.1918 28.2913 178.4429 14 E 3.8486 8.4104 121.2889 58.9491 29.7798 178.1014 15 F 4.2054 8.2930 122.5543 61.0637 39.1348 177.5924 16 R 4.3681 8.1301 115.1533 58.6553 29.9538 178.3357 17 A 4.2860 7.8669 119.7434 53.2773 18.5133 177.4380 18 N 4.8201 7.9768 115.6313 53.0219 39.3284 175.1168 19 G 4.3016 9.2041 103.1712 46.6257 0.0000 174.9062 20 G 2.0000 8.3289 105.3239 44.6760 0.0000 174.3855 21 R 4.6324 7.0332 116.5670 53.8896 33.5543 174.8534 22 V 4.7253 8.0393 118.9465 61.2371 35.6571 175.2195 23 G 4.5868 9.2945 117.6472 45.0040 0.0000 172.5107 24 G 3.8394 8.6959 109.6383 46.5200 0.0000 175.5074 25 N 4.3727 8.9281 119.5496 55.2145 38.7351 175.2829 26 F 4.8524 8.0361 116.0149 56.5290 40.0052 174.6422 27 E 4.1428 7.4385 121.6219 57.2494 29.2801 177.3993 28 G 3.9569 9.0849 113.9043 45.4611 0.0000 172.7092 29 A 4.8083 7.6978 121.6190 49.5933 20.0341 175.5592 30 P 4.3310 0.0000 0.0000 61.6769 32.5554 176.0943 *32 V 4.1382 7.8968 117.5221 61.8961 33.0788 174.4892 33 L 4.4149 7.7861 123.5389 53.2737 43.2496 175.5149 34 V 4.2252 8.2579 125.4304 61.6523 32.8364 174.1944 35 H 5.1920 9.1199 126.5035 55.0074 30.3505 174.2188 36 H 5.4158 9.2081 118.5509 53.8734 32.8233 172.3575 37 V 4.8492 8.2748 117.1659 59.4437 34.2450 175.5714 38 G 3.8792 9.0034 112.4853 46.4044 0.0000 174.6838 39 R 4.1634 9.2939 123.0762 57.9411 29.7959 177.5274 40 K 4.4301 8.0413 116.9937 57.3264 34.2043 177.0373 41 T 4.1258 8.0088 107.2102 61.5905 69.6206 175.8992 42 G 3.9114 8.4770 109.2543 45.0619 0.0000 172.6458 43 K 4.6297 7.8257 119.3650 54.3011 34.1045 176.0680 44 A 4.6396 8.5670 126.1311 52.2623 19.2214 176.3055 45 A 4.6294 9.0068 121.9153 50.5853 23.6119 175.3263 46 V 4.5689 8.1146 118.0153 61.4664 34.3733 174.7718 47 T 4.6771 8.7978 124.8585 61.0152 71.4946 171.7185 48 P 5.0442 0.0000 0.0000 61.6604 32.6049 175.0573 *51 Y 4.8816 8.2088 119.3080 57.1355 39.6913 173.5059 52 L 4.9535 9.0018 121.9358 52.4780 44.4511 173.9832 53 P 4.9248 0.0000 0.0000 62.6031 32.3761 176.0837 54 S 4.6282 8.3087 116.9146 58.9024 62.6079 173.9331 55 D 4.7553 9.1349 125.2721 55.2429 41.1446 176.4742 56 D 4.8212 8.2656 117.7672 54.1052 43.5261 175.5527 57 D 4.5132 7.7924 117.7779 51.6530 42.9291 172.4507 58 P 4.4164 0.0000 0.0000 64.0018 31.9462 177.2973 59 G 3.8300 8.9662 110.2178 45.1926 0.0000 172.5661 60 T 4.9682 7.5434 117.1305 61.7438 70.7725 173.8716 61 I 4.7303 8.3021 118.5288 59.1716 41.5974 173.5807 62 Y 5.2267 8.8270 120.7936 56.4614 40.5644 175.5226 63 V 4.8105 8.8611 116.7226 59.5029 35.8575 174.5666 64 F 5.2112 8.9092 119.6200 55.1312 41.5041 176.2775 65 A 4.5033 8.9516 131.0612 51.3780 15.6713 177.7607 66 S 4.2498 8.5264 119.1427 59.2126 64.7096 175.3768 67 K 3.8193 8.9569 120.4383 57.7309 30.3327 173.8880 68 A 2.5800 8.4469 113.3417 52.5443 16.2694 178.2938 69 G 3.7731 7.8728 104.4052 47.7130 0.0000 174.8292 70 A 4.1669 7.7180 122.6281 51.0802 19.0492 179.5614 71 A 4.1258 8.5130 122.1952 54.4733 18.6342 178.3529 72 S 4.8718 6.9774 107.0324 56.2666 65.4607 173.9975 73 N 4.2848 8.5079 120.4334 52.5228 39.1291 173.5923 74 P 4.3699 0.0000 0.0000 62.2423 32.4711 177.1912 75 A 4.1975 8.7503 122.1496 55.2518 18.2936 180.0556 76 W 4.2252 8.2201 114.7160 59.7877 27.8409 177.7088 77 Y 3.6832 6.8343 119.7714 60.8365 38.1538 177.8932 78 Y 3.6397 7.4744 116.9405 60.7351 38.0159 177.9799 79 N 4.3887 8.2838 117.5324 56.3485 38.7205 177.4664 80 L 4.0305 8.4333 120.8957 58.1240 41.5927 179.7704 81 T 4.1003 7.4374 108.0781 64.5797 68.7474 176.7051 82 T 3.9934 7.6656 118.1368 66.5933 68.9839 176.3176 83 A 4.1533 8.1422 122.8258 52.9922 18.4551 179.6419 84 G 4.0784 9.8120 105.3749 45.9407 0.0000 172.7933 85 T 5.1587 7.2536 106.4572 60.9692 72.3701 172.4348 86 A 4.5657 8.6888 123.1147 51.5179 23.5540 174.5088 87 Q 4.9588 8.2598 118.8511 54.6159 32.1992 174.8859 88 V 4.8444 8.2968 117.5040 59.5903 36.6663 174.0073 89 E 5.4480 8.6613 122.1666 53.9982 31.8908 175.4232 90 V 4.7766 7.9207 123.5384 61.0882 34.8695 174.4807 91 G 3.8200 9.1199 116.5451 47.5329 0.0000 174.3598 92 T 4.3073 8.6337 115.0591 61.3528 69.2969 173.9983 93 E 4.7534 8.2541 122.9411 55.8621 32.5979 175.0957 94 T 5.0616 8.2479 116.8461 62.6692 72.3440 173.1165 95 Y 4.9496 8.1820 123.2078 55.5596 42.1731 174.0072 96 A 4.7157 8.6917 121.5878 51.9853 20.3080 176.6358 97 V 4.9458 8.9464 119.3952 61.1068 35.7033 174.6904 98 G 4.2433 9.0803 114.1050 45.6807 0.0000 172.4966 99 V 5.0345 8.5261 124.5297 61.2257 33.2296 175.0706 100 T 4.8038 8.6207 116.5563 60.0243 72.6475 172.0186 101 E 4.9196 8.7721 123.8136 55.0032 31.1711 175.0983 102 V 4.3893 8.7196 127.7744 62.0045 32.7957 174.9977 103 T 4.6718 8.0821 116.2171 60.2750 72.8647 173.9244 104 G 4.0271 8.4615 108.0080 46.0485 0.0000 174.6506 105 E 3.9940 8.7670 117.1273 59.5618 29.4701 178.5691 106 D 4.3463 8.1554 118.4985 57.3884 40.9244 178.5943 107 R 3.8552 7.6817 118.9288 59.7640 30.0838 178.1176 108 D 4.5040 7.9596 118.2393 57.4578 40.9240 179.2070 109 R 4.0011 8.2980 116.7358 59.3660 29.5635 179.0692 110 I 3.6914 7.7831 120.7012 64.0618 36.9881 177.6827 111 Y 3.9591 8.7080 120.7872 60.9442 38.6742 178.3525 112 S 4.1958 8.7317 116.4711 61.5951 62.8786 176.4208 113 E 3.8966 8.1579 121.7816 59.1401 29.3450 178.5553 114 Q 3.6182 7.9700 119.3756 59.1414 28.9559 178.3084 115 A 4.1820 7.9142 121.8293 54.8228 18.0954 179.6194 116 R 3.7716 7.7472 116.9041 59.7580 30.2497 178.6879 117 R 4.0720 7.6315 116.6472 57.7145 30.9592 176.3219 118 Y 4.6103 8.1635 116.6505 54.7415 39.2314 173.8802 119 P 5.2174 0.0000 0.0000 63.3046 31.6903 177.6638 120 G 3.5508 8.2516 105.2233 48.0530 0.0000 175.4759 121 F 3.6095 8.5807 119.6967 60.1037 38.7765 177.5763 122 A 4.2072 8.0645 120.6804 55.0188 18.0465 179.1863 123 D 4.2623 7.7789 116.3150 57.6502 41.4949 177.8170 124 Y 4.3766 7.5734 117.3524 61.2366 37.6353 178.3220 125 E 4.0189 8.0904 118.8951 58.9431 29.8618 178.7244 126 K 4.1361 8.0703 118.8560 59.3809 31.9226 179.2567 127 K 3.9530 8.2233 118.1970 59.0725 32.1707 178.3190 128 T 4.5079 7.5783 106.9460 60.0047 68.9278 174.0189 129 A 4.0071 7.1296 125.9418 54.3905 18.4621 178.4437 130 G 3.9903 9.1110 111.6857 45.6081 0.0000 172.9682 131 I 4.3237 7.8230 118.0395 62.0657 39.1114 175.8690 132 R 4.6233 7.4019 113.2801 55.0343 32.0407 174.0400 133 T 4.2533 8.1135 116.2545 62.2213 69.5594 174.7663 134 I 3.8275 8.0713 127.6330 60.6817 37.7420 174.3235 135 P 4.3773 0.0000 0.0000 62.4050 32.7468 175.3639 136 V 4.8096 8.4276 122.6687 61.1647 34.1448 174.0965 137 L 5.3373 8.8465 127.0466 52.9732 45.1943 175.1166 138 A 4.9230 8.9825 124.8081 50.6941 20.9972 176.0268 139 L 4.6550 8.9569 124.1135 53.7604 43.5636 175.7663 140 T 4.8945 8.5391 122.0337 61.1702 70.8426 174.3419 141 R 4.4940 8.7556 128.4660 56.8978 30.6780 176.4368 142 T 4.2651 8.4727 115.8631 61.8236 68.4771 173.8107 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 D 8.22 4.59 0.00 2.80 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 W 8.37 4.16 0.00 3.55 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 8 N 8.84 3.86 0.00 3.06 2.95 0.00 0.00 6.65 7.63 0.00 0.00 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 S 7.64 4.03 0.00 3.98 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 10 Q 8.33 3.93 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 11 V 7.14 3.36 1.59 0.00 0.00 0.00 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 -0.09 0.00 0.00 12 I 7.56 3.55 1.87 0.00 0.00 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 1.31 0.30 0.79 0.00 0.00 13 Q 8.22 4.02 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.82 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 14 E 8.41 3.85 0.00 2.09 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 0.00 2.31 2.32 0.00 15 F 8.29 4.21 0.00 3.12 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 16 R 8.13 4.37 0.00 2.10 2.04 0.00 3.23 0.00 0.00 3.27 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.96 0.00 17 A 7.87 4.29 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 18 N 7.98 4.82 0.00 2.94 2.71 0.00 0.00 6.71 8.31 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 19 G 9.20 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 0.00 0.00 0.00 0.00 20 G 8.33 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 0.00 0.00 0.00 0.00 0.00 0.00 21 R 7.03 4.63 0.00 1.57 1.73 0.00 3.02 0.00 0.00 3.06 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.48 0.00 22 V 8.04 4.73 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 1.13 0.00 0.00 0.98 0.00 0.00 23 G 9.29 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.70 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 0.00 0.00 0.00 25 N 8.93 4.37 0.00 2.31 2.56 0.00 0.00 6.62 7.45 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 26 F 8.04 4.85 0.00 3.32 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 27 E 7.44 4.14 0.00 2.19 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 2.39 2.45 0.00 28 G 9.08 3.96 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 0.00 0.00 0.00 29 A 7.70 4.81 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 30 P 0.00 4.33 0.00 0.76 1.29 0.00 3.51 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.93 0.00 *32 V 7.90 4.14 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 0.74 0.00 0.00 0.78 0.00 0.00 33 L 7.79 4.41 0.00 1.15 1.20 0.53 -0.09 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 34 V 8.26 4.23 1.73 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 0.92 0.00 0.00 0.58 0.00 0.00 35 H 9.12 5.19 0.00 3.20 3.17 0.00 5.81 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 H 9.21 5.42 0.00 3.27 3.42 0.00 5.40 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.27 4.85 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 0.76 0.00 0.00 0.97 0.00 0.00 38 G 9.00 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 39 R 9.29 4.16 0.00 1.96 2.12 0.00 3.01 0.00 0.00 3.29 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.61 0.00 40 K 8.04 4.43 0.00 1.73 1.85 0.00 1.68 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.32 1.35 7.81 41 T 8.01 4.13 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 1.22 0.00 0.00 42 G 8.48 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 43 K 7.83 4.63 0.00 1.75 1.72 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.38 7.81 44 A 8.57 4.64 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 45 A 9.01 4.63 1.05 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 0.00 0.00 46 V 8.11 4.57 1.90 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 0.53 0.00 0.00 0.61 0.00 0.00 47 T 8.80 4.68 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 1.15 0.00 0.00 48 P 0.00 5.04 0.00 1.62 1.66 0.00 3.36 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 1.73 1.47 0.00 *51 Y 8.21 4.88 0.00 3.21 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 52 L 9.00 4.95 0.00 2.07 2.00 0.98 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 53 P 0.00 4.92 0.00 2.26 2.33 0.00 3.92 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.10 0.00 54 S 8.31 4.63 0.00 3.75 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 55 D 9.13 4.76 0.00 2.79 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 56 D 8.27 4.82 0.00 2.69 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 57 D 7.79 4.51 0.00 2.66 2.47 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 58 P 0.00 4.42 0.00 2.04 1.94 0.00 3.72 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 2.01 2.08 0.00 59 G 8.97 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 60 T 7.54 4.97 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 0.82 0.00 0.00 61 I 8.30 4.73 1.55 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.48 0.00 0.00 62 Y 8.83 5.23 0.00 3.07 2.58 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 0.00 0.00 0.00 0.00 63 V 8.86 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 0.72 0.00 0.00 1.08 0.00 0.00 64 F 8.91 5.21 0.00 3.35 3.42 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 0.00 0.00 0.00 0.00 65 A 8.95 4.50 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.53 4.25 0.00 3.94 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 67 K 8.96 3.82 0.00 1.85 1.72 0.00 1.88 0.00 0.00 1.86 0.00 0.00 2.90 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.37 1.41 7.81 68 A 8.45 2.58 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 G 7.87 3.77 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 0.00 0.00 0.00 70 A 7.72 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 71 A 8.51 4.13 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 72 S 6.98 4.87 0.00 3.85 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 73 N 8.51 4.28 0.00 2.78 2.37 0.00 0.00 6.99 8.02 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 74 P 0.00 4.37 0.00 1.68 2.08 0.00 3.24 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 1.52 0.00 75 A 8.75 4.20 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 76 W 8.22 4.23 0.00 3.23 3.04 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 77 Y 6.83 3.68 0.00 2.07 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.47 3.64 0.00 3.18 2.93 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 79 N 8.28 4.39 0.00 3.10 3.10 0.00 0.00 7.00 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 80 L 8.43 4.03 0.00 1.72 1.77 1.08 0.71 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 81 T 7.44 4.10 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 0.83 0.00 0.00 82 T 7.67 3.99 4.44 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 1.22 0.00 0.00 83 A 8.14 4.15 1.37 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 0.00 0.00 0.00 84 G 9.81 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 0.00 0.00 0.00 0.00 85 T 7.25 5.16 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 1.21 0.00 0.00 86 A 8.69 4.57 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 87 Q 8.26 4.96 0.00 1.88 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.64 0.00 0.00 0.00 0.00 0.00 2.01 2.17 0.00 88 V 8.30 4.84 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 0.55 0.00 0.00 0.12 0.00 0.00 89 E 8.66 5.45 0.00 1.63 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 2.18 1.96 0.00 90 V 7.92 4.78 2.21 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 1.09 0.00 0.00 0.67 0.00 0.00 91 G 9.12 3.82 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 0.00 0.00 0.00 92 T 8.63 4.31 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 1.17 0.00 0.00 93 E 8.25 4.75 0.00 2.28 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 2.31 2.34 0.00 94 T 8.25 5.06 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 1.11 0.00 0.00 95 Y 8.18 4.95 0.00 2.94 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 96 A 8.69 4.72 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 97 V 8.95 4.95 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 0.94 0.00 0.00 1.06 0.00 0.00 98 G 9.08 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 0.00 0.00 0.00 0.00 99 V 8.53 5.03 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 0.85 0.00 0.00 0.94 0.00 0.00 100 T 8.62 4.80 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 1.23 0.00 0.00 101 E 8.77 4.92 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 2.30 2.59 0.00 102 V 8.72 4.39 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 0.84 0.00 0.00 1.04 0.00 0.00 103 T 8.08 4.67 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 1.24 0.00 0.00 104 G 8.46 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 0.00 0.00 0.00 105 E 8.77 3.99 0.00 2.00 2.03 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 2.41 2.36 0.00 106 D 8.16 4.35 0.00 2.90 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 0.00 107 R 7.68 3.86 0.00 1.96 2.10 0.00 3.35 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.90 0.00 108 D 7.96 4.50 0.00 2.96 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 0.00 109 R 8.30 4.00 0.00 2.04 2.20 0.00 2.78 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.65 0.00 110 I 7.78 3.69 1.70 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.62 0.61 0.00 0.00 111 Y 8.71 3.96 0.00 3.26 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 0.00 112 S 8.73 4.20 0.00 4.01 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 0.00 113 E 8.16 3.90 0.00 2.12 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 2.33 2.35 0.00 114 Q 7.97 3.62 0.00 1.46 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 115 A 7.91 4.18 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 R 7.75 3.77 0.00 1.91 2.09 0.00 3.24 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 117 R 7.63 4.07 0.00 1.84 1.43 0.00 3.13 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.68 0.00 118 Y 8.16 4.61 0.00 3.19 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 0.00 119 P 0.00 5.22 0.00 2.14 2.07 0.00 3.89 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 2.08 2.06 0.00 120 G 8.25 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 0.00 121 F 8.58 3.61 0.00 2.93 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 0.00 122 A 8.06 4.21 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 0.00 123 D 7.78 4.26 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 Y 7.57 4.38 0.00 3.28 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 0.00 125 E 8.09 4.02 0.00 2.15 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 2.17 2.10 0.00 126 K 8.07 4.14 0.00 1.98 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.71 7.81 127 K 8.22 3.95 0.00 1.96 2.05 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.26 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.51 1.67 7.81 128 T 7.58 4.51 4.33 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 0.00 0.00 0.00 1.32 0.00 0.00 129 A 7.13 4.01 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 0.00 130 G 9.11 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 0.00 131 I 7.82 4.32 1.97 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.84 0.93 0.00 0.00 132 R 7.40 4.62 0.00 1.80 1.81 0.00 3.14 0.00 0.00 3.31 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 133 T 8.11 4.25 4.18 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 1.14 0.00 0.00 134 I 8.07 3.83 1.77 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.43 1.33 0.00 0.00 135 P 0.00 4.38 0.00 1.53 1.80 0.00 3.34 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 0.75 1.47 0.00 136 V 8.43 4.81 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 0.93 0.00 0.00 1.19 0.00 0.00 137 L 8.85 5.34 0.00 1.78 1.63 1.18 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 138 A 8.98 4.92 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 0.00 139 L 8.96 4.65 0.00 1.44 1.56 0.81 0.54 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 0.00 140 T 8.54 4.89 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 1.17 0.00 0.00 141 R 8.76 4.49 0.00 1.45 1.59 0.00 2.21 0.00 0.00 2.79 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.93 0.00 142 T 8.47 4.27 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 * Residues marked with a * may have inaccurate shift predictions.