NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.8019 8.0932 114.8045 57.8649 64.5105 174.0590 2 L 3.8351 8.0100 119.5178 57.1508 41.0087 179.2350 3 F 4.2543 8.1907 119.0789 60.6131 39.2913 177.1351 4 E 4.1281 8.1308 117.6531 59.4172 29.3137 178.9795 5 L 4.0974 8.0690 120.4889 58.1635 42.1337 179.3480 6 G 3.6016 8.4543 105.9907 47.5658 0.0000 175.6511 7 K 3.9727 8.2374 122.1971 59.5507 32.2530 178.7655 8 M 4.0200 8.4535 119.3478 58.5321 31.7614 178.8629 9 I 3.6459 7.7920 119.9156 64.1875 37.0143 178.2905 10 L 4.1901 7.6369 121.6405 57.7075 41.9936 178.7329 11 Q 3.7827 7.9092 117.2117 58.7051 28.5614 178.4034 12 E 4.2942 8.1376 118.7932 59.5374 29.9059 178.8298 13 T 4.2681 8.2776 109.2648 63.0870 69.2323 176.4160 *15 G 4.0114 7.7004 107.6969 44.7151 0.0000 172.4761 16 K 4.3754 7.7601 119.8336 54.5198 33.9987 175.5052 17 N 4.3444 8.4171 119.8106 53.1099 39.6057 174.0867 18 P 4.4686 0.0000 0.0000 65.7169 31.5874 178.5596 19 A 4.0434 8.0484 119.2135 54.9389 18.1734 179.5011 20 K 3.9784 8.4568 117.5581 59.8192 32.4004 179.0281 21 S 4.4625 7.8277 115.6604 60.0284 62.6569 174.5471 22 Y 4.9055 8.1798 116.1402 57.2196 39.8789 177.6089 23 G 3.7670 8.2984 109.9286 48.0864 0.0000 174.1943 24 A 5.2369 7.5238 120.5342 51.1574 19.6170 174.9190 25 Y 4.7387 8.1808 122.9339 57.9196 40.8148 175.6144 26 G 3.6039 7.9561 116.4663 46.9594 0.0000 173.0262 27 C 4.6780 9.0494 116.7804 57.4323 41.0066 173.7362 28 N 4.7078 8.5308 114.5379 52.5532 40.3591 173.6776 29 C 4.6242 8.1609 117.2815 56.8475 41.5961 170.8126 30 G 4.5805 8.7262 109.9834 44.7152 0.0000 173.5886 31 V 3.7651 8.2864 115.8968 60.9927 32.2034 175.8734 32 L 4.1102 8.2078 123.2409 55.5627 42.2367 176.8093 33 G 4.0828 8.4632 106.6089 45.8475 0.0000 173.1539 34 R 4.5979 8.0223 118.6363 54.8916 32.7090 175.0846 35 G 4.2181 8.2933 106.2422 44.9602 0.0000 172.7916 36 K 4.2104 8.7310 122.4152 55.8555 32.4832 175.1543 37 P 4.6319 0.0000 0.0000 62.4908 31.9917 176.6633 38 K 3.9249 8.9445 121.3986 58.4377 32.5138 176.2917 39 D 4.3551 7.1340 115.5231 51.6813 41.9327 175.8778 40 A 3.9356 8.4347 119.8374 55.8308 17.9492 179.7158 41 T 3.7572 7.9635 113.7701 67.0183 68.5367 176.1022 42 D 4.4164 8.6782 119.8193 57.3617 41.1846 178.2403 43 R 3.8988 8.2339 119.3525 59.1297 29.9249 177.7740 44 C 4.2489 8.0524 116.8084 60.3570 40.7737 175.4689 45 C 4.1313 7.9430 117.7311 59.7946 40.9055 175.5410 46 Y 3.9676 8.1611 121.3880 60.7751 38.4263 178.2621 47 V 3.6736 8.3702 119.6092 66.2966 31.6173 177.3641 48 H 4.0051 8.3797 118.0415 59.2767 29.4443 177.4690 49 K 3.6681 7.7217 119.0983 59.3057 32.1029 178.4945 50 C 4.3320 8.1493 117.0781 60.0076 39.8723 175.0790 51 C 4.1340 8.3094 119.5177 60.0966 38.9454 175.1477 52 Y 4.2078 7.9610 117.8262 60.6519 37.0883 178.4933 53 K 3.9774 7.9911 119.7810 58.7243 31.8650 178.5462 *57 K 4.3983 7.7725 115.6097 56.0986 34.3964 175.9292 58 L 4.1662 7.6363 120.7238 54.8113 42.0422 176.4492 59 T 4.4530 8.4556 119.2900 63.1092 71.3833 174.3407 60 G 4.0290 9.8682 115.3234 45.1059 0.0000 171.6510 61 C 5.1344 7.3966 112.2382 52.3189 44.8892 172.5153 *67 D 4.7252 8.2861 118.4057 53.6157 40.9569 174.6445 68 P 4.1500 0.0000 0.0000 64.8317 31.8969 178.7209 69 K 4.0954 8.7320 118.3174 58.1601 32.5512 178.8251 70 K 4.1976 8.0118 116.0195 57.6986 32.9035 176.8076 71 D 4.5711 8.0715 120.0783 53.8036 41.2215 176.4719 72 R 4.4658 8.4432 123.3868 56.3073 30.9936 174.8640 73 Y 4.9252 7.5710 116.1653 56.1943 41.2590 173.9937 74 S 5.0701 9.7180 117.2396 57.5148 64.8628 173.2747 75 Y 5.5034 8.2885 120.8552 56.2347 41.0397 173.3322 76 S 4.6418 9.4977 114.0683 56.5112 67.4401 172.4182 77 W 5.4932 8.8699 130.2599 55.8636 32.1870 175.1872 78 K 4.3973 8.5871 126.6487 55.8303 35.1298 176.1361 79 D 4.2259 9.2485 123.4562 56.6517 39.6751 172.8988 80 K 2.0000 7.1193 109.8851 56.8807 30.3434 175.6460 81 T 4.3725 6.3944 112.4325 61.5311 72.5855 173.6862 82 I 4.8193 8.4410 126.1535 61.1854 38.2750 175.4634 83 V 4.3974 9.1522 127.2131 61.0708 33.7598 174.1041 84 C 4.8357 9.0247 126.0332 57.1358 41.0214 174.1437 85 G 3.9472 8.8487 110.8590 44.9326 0.0000 173.3955 86 E 4.1939 9.0226 119.9125 58.7184 30.5513 177.9750 87 N 3.9541 7.9225 114.7511 54.4022 37.6635 174.9029 88 N 4.9745 8.1994 123.6247 51.7294 40.8861 173.2158 *90 P 4.2785 0.0000 0.0000 62.8607 33.4427 179.8965 91 C 4.3950 8.1594 116.9483 59.7954 41.7133 175.4620 92 L 3.7784 8.4483 120.7103 57.3602 41.0415 179.4845 93 K 3.8229 8.3638 120.2183 59.4313 32.1013 178.6691 94 E 3.8830 8.1900 118.9086 59.2321 29.3051 179.0112 95 L 3.8570 8.0002 120.4829 58.4255 42.0911 178.1573 96 C 3.4042 7.8523 118.5678 59.5820 44.5654 175.4557 97 E 3.7948 8.2618 120.2012 59.2431 28.9970 178.6848 98 C 4.3570 8.5705 117.3148 60.0752 39.5243 175.8342 99 D 4.3477 8.4389 120.7038 57.1782 40.4501 178.6640 100 K 3.8399 8.3941 120.3462 59.5082 32.1070 178.7051 101 A 4.0173 8.1613 121.2956 55.0628 18.1964 180.0026 102 V 3.4614 7.8301 117.5553 64.5641 31.5030 178.5949 103 A 3.8081 7.9269 121.5153 54.9595 18.1478 179.6130 104 I 3.6341 7.7211 118.3130 64.7256 37.0935 177.8777 105 C 4.3941 8.4194 119.5747 59.6204 43.2006 175.6154 106 L 3.7969 7.8906 120.1457 57.6997 41.5587 179.1004 107 R 4.0347 7.9607 118.6744 59.4911 29.8141 178.4218 108 E 4.1398 8.4205 117.5693 58.3245 29.6180 177.4525 109 N 4.9731 7.5487 114.8865 52.8050 39.3556 176.4850 110 L 4.1607 7.9732 121.5047 57.7037 41.8266 179.8479 111 G 3.7446 8.2566 106.7666 47.8395 0.0000 173.9978 112 T 4.5172 7.7107 107.6274 60.9751 69.5268 173.8581 113 Y 4.0331 7.9671 124.4907 58.4919 39.3521 174.7033 114 N 4.9881 9.0095 125.0490 51.4043 40.5408 174.7578 115 K 4.2031 8.8630 126.8512 59.2232 32.3055 179.2341 116 K 3.9019 8.1191 116.8680 58.8834 32.5440 177.1266 117 Y 4.3995 7.6410 117.2206 57.7039 38.3909 177.1145 118 R 3.6599 7.6486 121.3447 59.0453 30.2783 177.0631 119 Y 4.9070 7.1368 111.8815 55.7540 38.6636 175.3025 120 H 4.0706 8.0793 118.2345 56.5084 30.6438 174.5830 121 L 4.1261 7.8737 124.6719 53.7608 40.9230 177.1968 122 K 4.1345 8.3871 124.9016 58.5835 32.4619 178.0440 123 P 4.0124 0.0000 0.0000 65.3255 31.2226 177.7311 *125 F 5.3140 7.7678 113.2667 56.9170 40.6848 175.7541 126 C 4.6193 7.8803 118.9275 56.8446 41.2277 173.9985 127 K 4.1999 8.5678 121.7742 56.3582 33.1481 175.9070 *129 K 4.3600 8.4583 123.6064 56.1769 33.0968 175.3080 130 A 4.3387 8.6050 129.5596 51.8765 19.1325 177.0769 131 D 4.6877 8.5398 121.2471 53.1958 41.7691 174.6966 132 P 4.4457 0.0000 0.0000 62.5104 31.9923 177.6656 133 C 4.5147 8.6008 117.1741 57.4876 41.0892 173.8254 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 8.09 4.80 0.00 4.19 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 2 L 8.01 3.84 0.00 1.27 1.54 0.82 0.96 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 3 F 8.19 4.25 0.00 3.15 3.06 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 4 E 8.13 4.13 0.00 1.76 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 0.00 1.68 2.38 0.00 5 L 8.07 4.10 0.00 2.08 1.72 0.92 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 6 G 8.45 3.60 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 0.00 7 K 8.24 3.97 0.00 2.01 2.14 0.00 1.63 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.46 7.81 8 M 8.45 4.02 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.06 0.00 9 I 7.79 3.65 2.02 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.81 0.90 0.00 0.00 10 L 7.64 4.19 0.00 1.63 1.82 0.92 0.72 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 11 Q 7.91 3.78 0.00 1.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.75 0.00 0.00 0.00 0.00 0.00 1.48 2.14 0.00 12 E 8.14 4.29 0.00 1.96 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 2.58 2.51 0.00 13 T 8.28 4.27 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 1.20 0.00 0.00 *15 G 7.70 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 16 K 7.76 4.38 0.00 1.89 1.60 0.00 1.59 0.00 0.00 1.24 0.00 0.00 2.39 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.19 1.27 7.81 17 N 8.42 4.34 0.00 2.75 2.69 0.00 0.00 7.01 7.71 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 18 P 0.00 4.47 0.00 2.26 2.17 0.00 3.69 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 2.26 2.21 0.00 19 A 8.05 4.04 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 20 K 8.46 3.98 0.00 1.79 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.56 7.81 21 S 7.83 4.46 0.00 3.55 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 22 Y 8.18 4.91 0.00 3.12 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 23 G 8.30 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 24 A 7.52 5.24 1.41 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 0.00 0.00 25 Y 8.18 4.74 0.00 3.16 2.87 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 26 G 7.96 3.60 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 0.00 27 C 9.05 4.68 0.00 3.14 3.15 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 0.00 0.00 0.00 0.00 28 N 8.53 4.71 0.00 3.02 2.90 0.00 0.00 6.94 7.18 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 29 C 8.16 4.62 0.00 3.48 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 30 G 8.73 4.58 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 0.00 0.00 0.00 31 V 8.29 3.77 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 0.77 0.00 0.00 0.95 0.00 0.00 32 L 8.21 4.11 0.00 1.64 1.64 0.93 0.95 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 33 G 8.46 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 34 R 8.02 4.60 0.00 1.52 1.65 0.00 2.21 0.00 0.00 2.74 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.40 0.00 35 G 8.29 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 0.00 0.00 0.00 0.00 36 K 8.73 4.21 0.00 1.78 1.73 0.00 1.79 0.00 0.00 1.68 0.00 0.00 2.69 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.39 1.37 7.81 37 P 0.00 4.63 0.00 1.91 1.94 0.00 3.43 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.77 0.00 38 K 8.94 3.92 0.00 0.79 0.74 0.00 1.56 0.00 0.00 1.55 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.20 0.75 7.81 39 D 7.13 4.36 0.00 2.81 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 40 A 8.43 3.94 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 41 T 7.96 3.76 4.34 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 0.83 0.00 0.00 42 D 8.68 4.42 0.00 3.00 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 43 R 8.23 3.90 0.00 1.91 2.01 0.00 3.08 0.00 0.00 3.04 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.44 0.00 44 C 8.05 4.25 0.00 3.13 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 45 C 7.94 4.13 0.00 3.16 3.27 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 46 Y 8.16 3.97 0.00 3.21 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 47 V 8.37 3.67 2.27 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 0.94 0.00 0.00 1.07 0.00 0.00 48 H 8.38 4.01 0.00 3.17 3.31 0.00 5.66 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 49 K 7.72 3.67 0.00 1.58 1.70 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.41 7.81 50 C 8.15 4.33 0.00 3.04 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 51 C 8.31 4.13 0.00 3.04 3.27 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 52 Y 7.96 4.21 0.00 3.12 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 53 K 7.99 3.98 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.91 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.59 7.81 *57 K 7.77 4.40 0.00 1.88 1.99 0.00 1.18 0.00 0.00 0.61 0.00 0.00 2.97 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.50 1.55 7.81 58 L 7.64 4.17 0.00 1.68 1.56 0.60 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 T 8.46 4.45 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 60 G 9.87 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 61 C 7.40 5.13 0.00 3.23 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 *67 D 8.29 4.73 0.00 2.69 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 68 P 0.00 4.15 0.00 1.68 0.79 0.00 3.48 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 1.62 1.31 0.00 69 K 8.73 4.10 0.00 1.82 1.80 0.00 1.69 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.41 1.55 7.81 70 K 8.01 4.20 0.00 1.73 1.87 0.00 1.90 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.43 7.81 71 D 8.07 4.57 0.00 2.89 2.66 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 72 R 8.44 4.47 0.00 1.82 1.96 0.00 3.50 0.00 0.00 3.46 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.58 0.00 73 Y 7.57 4.93 0.00 3.24 2.95 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 74 S 9.72 5.07 0.00 3.86 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 75 Y 8.29 5.50 0.00 3.22 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 76 S 9.50 4.64 0.00 3.90 3.97 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 77 W 8.87 5.49 0.00 3.42 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 78 K 8.59 4.40 0.00 1.76 1.59 0.00 1.87 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.38 7.81 79 D 9.25 4.23 0.00 2.61 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 K 7.12 2.00 0.00 1.60 1.53 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.28 7.81 81 T 6.39 4.37 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 1.16 0.00 0.00 82 I 8.44 4.82 1.96 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 1.57 0.96 0.83 0.00 0.00 83 V 9.15 4.40 2.31 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 1.11 0.00 0.00 1.02 0.00 0.00 84 C 9.02 4.84 0.00 3.05 2.98 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 85 G 8.85 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 0.00 0.00 0.00 86 E 9.02 4.19 0.00 1.94 2.02 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 2.31 2.42 0.00 87 N 7.92 3.95 0.00 2.90 2.28 0.00 0.00 6.65 8.00 0.00 0.00 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 N 8.20 4.97 0.00 2.89 2.88 0.00 0.00 5.94 7.76 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 *90 P 0.00 4.28 0.00 2.21 2.16 0.00 3.65 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 2.00 2.07 0.00 91 C 8.16 4.40 0.00 3.04 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 92 L 8.45 3.78 0.00 1.74 1.75 1.05 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 93 K 8.36 3.82 0.00 2.02 1.90 0.00 1.48 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.48 7.81 94 E 8.19 3.88 0.00 2.18 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 2.46 0.00 95 L 8.00 3.86 0.00 1.67 1.65 0.69 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 96 C 7.85 3.40 0.00 1.86 2.84 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 97 E 8.26 3.79 0.00 2.08 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 2.42 2.45 0.00 98 C 8.57 4.36 0.00 3.33 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 99 D 8.44 4.35 0.00 2.92 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 0.00 100 K 8.39 3.84 0.00 1.72 1.81 0.00 1.78 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.46 7.81 101 A 8.16 4.02 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 0.00 102 V 7.83 3.46 1.86 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 0.66 0.00 0.00 0.73 0.00 0.00 103 A 7.93 3.81 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 0.00 104 I 7.72 3.63 2.01 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 1.43 0.81 0.90 0.00 0.00 105 C 8.42 4.39 0.00 3.04 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 0.00 106 L 7.89 3.80 0.00 1.42 1.20 0.01 0.41 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 0.00 107 R 7.96 4.03 0.00 1.91 2.04 0.00 3.13 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 108 E 8.42 4.14 0.00 2.07 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 2.35 2.58 0.00 109 N 7.55 4.97 0.00 2.80 2.82 0.00 0.00 6.83 8.07 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 0.00 110 L 7.97 4.16 0.00 1.77 1.74 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 111 G 8.26 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 0.00 112 T 7.71 4.52 4.32 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 1.26 0.00 0.00 113 Y 7.97 4.03 0.00 3.10 3.03 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 0.00 114 N 9.01 4.99 0.00 2.71 2.59 0.00 0.00 6.90 6.29 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 0.00 115 K 8.86 4.20 0.00 1.88 1.91 0.00 1.79 0.00 0.00 1.94 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.77 1.69 7.81 116 K 8.12 3.90 0.00 1.64 1.73 0.00 1.31 0.00 0.00 1.42 0.00 0.00 2.13 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.84 0.56 7.81 117 Y 7.64 4.40 0.00 1.80 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 0.00 0.00 0.00 118 R 7.65 3.66 0.00 1.87 1.40 0.00 3.20 0.00 0.00 3.19 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.65 0.00 119 Y 7.14 4.91 0.00 3.01 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 0.00 120 H 8.08 4.07 0.00 3.24 3.33 0.00 5.72 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 L 7.87 4.13 0.00 1.60 0.77 1.25 0.74 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 0.00 122 K 8.39 4.13 0.00 1.77 1.82 0.00 1.70 0.00 0.00 1.82 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.48 7.81 123 P 0.00 4.01 0.00 1.34 1.89 0.00 3.07 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.94 0.00 *125 F 7.77 5.31 0.00 3.14 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 0.00 126 C 7.88 4.62 0.00 3.02 3.06 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 0.00 127 K 8.57 4.20 0.00 1.74 1.77 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.56 1.46 7.81 *129 K 8.46 4.36 0.00 1.82 1.78 0.00 1.80 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.48 7.81 130 A 8.60 4.34 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 0.00 131 D 8.54 4.69 0.00 2.82 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.45 0.00 2.05 1.98 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 2.11 0.00 133 C 8.60 4.51 0.00 2.93 2.98 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 * Residues marked with a * may have inaccurate shift predictions.