NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.9910 8.0932 114.8053 57.8092 64.5061 174.3817 2 L 4.1936 8.2965 120.2861 56.8531 40.9476 178.5730 3 L 4.0326 8.4311 120.0564 57.8398 42.1279 178.9266 4 E 4.0927 8.0217 118.0572 59.2935 29.5099 178.8408 5 F 4.7589 8.4172 120.7950 61.5985 39.4697 177.4825 6 G 3.5562 8.3285 105.3432 47.5314 0.0000 175.6875 7 K 4.0302 7.9741 122.0018 59.3407 32.2585 178.5449 8 M 4.0525 8.4180 118.7486 58.7916 32.1422 178.2806 9 I 3.6362 7.6973 119.7351 64.2431 37.2062 178.1108 10 L 4.4645 7.7128 122.3863 57.8523 41.7029 178.8985 11 E 3.9811 8.2535 117.4273 59.2208 29.4257 178.7431 12 E 4.1260 8.0936 118.7375 59.0040 29.9676 177.9652 13 T 4.3913 8.6390 107.6953 61.3966 70.1188 175.6450 14 G 3.8516 8.1540 110.5112 45.2082 0.0000 173.2361 *16 K 4.1901 7.5322 117.2986 56.0956 33.3552 174.7038 17 L 4.4882 8.0923 121.3031 53.9015 42.8642 177.4679 18 A 4.0761 8.9104 126.9931 54.9637 18.3576 177.0763 19 I 4.7139 7.6648 115.0715 59.3172 38.7320 173.7219 20 P 5.3970 0.0000 0.0000 61.9607 31.6422 176.5232 21 S 4.2815 7.7770 116.4594 60.9690 62.6273 174.6852 22 Y 4.7836 8.1232 114.5612 57.4955 39.0538 176.5985 23 S 4.5753 8.1361 115.7261 60.3808 64.0945 175.0617 24 S 4.7361 7.8036 117.2021 57.1626 62.7726 172.6234 25 Y 4.7878 8.2275 121.2682 58.3028 40.7970 175.5129 26 G 3.4295 7.7344 115.4997 47.2957 0.0000 173.3626 27 C 4.6564 9.0075 115.2104 57.3615 41.3346 174.3607 28 Y 4.2069 8.4138 114.6740 57.5435 39.3641 174.9749 29 C 4.7534 8.2915 118.5134 59.6244 40.9078 171.1516 30 G 4.9229 8.7572 111.6686 44.6789 0.0000 173.9999 31 W 4.1619 9.0688 134.8964 57.4481 31.2752 176.3340 32 G 3.3258 7.1317 113.4812 45.2471 0.0000 173.8233 33 G 3.7085 7.8639 104.8285 45.2795 0.0000 172.5193 34 K 4.4191 7.3238 125.4745 55.8785 35.6455 176.9131 35 G 3.8094 8.3709 111.7048 44.8825 0.0000 171.8432 36 T 4.4164 8.0488 115.2185 60.8490 69.8764 172.9809 37 P 4.5440 0.0000 0.0000 62.9990 31.7962 176.7897 38 K 3.8403 9.4263 123.6103 59.1994 32.1927 176.1713 39 D 4.4082 7.3312 115.5714 51.3389 41.8792 175.1638 40 A 3.9777 8.7977 119.8941 56.2406 18.0707 179.9351 41 T 3.9621 7.9156 113.4992 66.8690 68.4944 176.2786 42 D 4.5447 8.5241 120.0388 57.3201 41.1408 178.5328 43 R 3.9497 8.3187 119.1972 59.1996 29.9595 178.1407 44 C 4.1361 8.2998 116.4436 60.4360 35.6520 175.7034 45 C 4.3109 8.2101 117.5487 59.8852 40.6120 175.9062 46 F 3.7439 8.3365 122.3905 61.2160 38.9239 177.4185 47 V 3.2551 8.1310 118.2527 65.9013 31.2731 177.4379 48 H 3.7625 8.1094 118.1174 59.2004 29.6365 176.7492 49 D 4.1289 8.3141 120.8356 57.7463 40.4727 178.2752 50 C 3.9672 7.4991 115.3561 60.0055 35.0053 175.1200 51 C 4.2406 8.2363 120.2899 59.9914 40.9609 175.3450 52 Y 4.2797 7.9385 118.4264 60.9867 37.1578 178.6187 53 G 3.8275 7.9925 106.0470 47.7199 0.0000 174.6578 54 N 4.6435 7.7789 115.8561 53.6296 40.1178 175.4171 55 L 4.7300 7.6504 120.7494 52.0995 41.7810 174.1326 56 P 4.2317 0.0000 0.0000 65.6953 32.1765 178.8688 *59 D 4.9705 7.7755 115.4170 54.3760 42.4683 175.7374 *61 C 5.2999 7.7302 115.3988 57.3375 38.7139 173.0566 *67 N 4.9002 7.9454 116.1126 52.5029 38.5027 173.3222 68 P 4.0969 0.0000 0.0000 65.1543 32.1106 178.9965 69 K 4.2070 7.9343 117.1067 58.0076 32.3723 178.3434 70 S 4.5545 7.8317 110.6626 58.0491 64.9017 173.5203 71 D 4.4706 8.4142 121.8958 53.7313 40.9945 175.6664 72 R 4.9197 8.6411 125.5943 54.8391 31.2290 175.0515 73 Y 4.9970 7.6692 118.0043 55.1491 41.5449 174.1949 74 K 4.9368 8.6518 118.4589 54.8589 35.1423 175.1594 75 Y 5.5492 8.3238 120.9535 55.4778 41.4478 173.7449 76 K 4.7148 9.5895 119.8228 55.2579 36.9925 174.8622 77 R 5.6658 8.4646 118.4939 53.8237 32.6623 176.3295 78 V 4.0192 8.5492 125.2485 62.0900 32.2007 176.1069 79 N 4.0621 8.3597 128.1362 54.6451 37.3551 178.2811 80 G 3.7077 8.9181 116.5468 48.2228 0.0000 173.2874 81 A 4.2038 7.8458 122.7309 52.0591 19.6210 176.6066 82 I 4.5597 8.2667 122.4256 60.4519 38.7192 175.5171 83 V 4.3843 9.1772 126.9516 61.0933 34.1388 173.8670 84 C 4.9334 8.9183 126.1405 57.0522 40.7246 173.4247 85 E 4.6467 9.0734 123.6399 54.5861 31.3358 176.3051 86 K 3.7977 8.5657 123.3166 56.8736 33.1347 175.9314 *88 G 4.4194 8.2894 115.2521 45.4294 0.0000 171.9536 89 T 4.2026 8.2527 112.3573 61.0809 71.1331 175.3892 90 S 4.0410 8.4438 114.3775 61.7387 62.2612 176.5191 91 C 4.2546 8.1012 118.6599 60.1363 41.1940 175.7864 92 E 3.9248 8.1277 119.9214 59.3379 29.0041 179.2100 93 N 4.2377 8.1181 116.4600 56.5705 38.8385 177.7853 94 R 3.9022 7.8300 119.1625 59.1053 30.0760 179.3524 95 I 3.6565 7.9206 120.0683 64.3987 37.0284 177.5174 96 C 3.1417 7.6837 119.2575 59.3967 37.9806 175.5318 97 E 3.7174 7.9841 120.0889 59.4272 28.8251 178.7552 98 C 4.2016 7.9382 116.2776 60.0451 41.3399 175.9162 99 D 3.9048 7.9927 120.4920 56.8609 40.3942 178.5057 100 K 3.7345 8.1157 120.1754 59.6037 32.1040 178.4831 101 A 3.8803 7.7434 120.2640 55.1751 18.2437 179.4952 102 A 3.4389 7.6431 118.9358 54.9430 18.3979 179.6639 103 A 3.9624 8.0697 119.3768 55.3743 18.4544 180.0341 104 I 3.6440 7.6895 118.2553 64.6288 36.9882 177.7453 105 C 4.2338 8.0595 118.4999 59.7189 38.1911 175.4240 106 F 4.6224 8.1797 119.7669 60.4734 38.3267 177.5880 107 R 3.9186 8.1305 118.3659 59.6108 29.7740 178.3926 108 Q 4.1660 8.4999 117.7538 58.0654 29.2223 176.2983 109 N 5.0851 7.6780 115.9544 53.0241 39.9092 176.0965 110 L 4.1155 8.0997 121.8517 58.0192 41.7499 179.2953 111 N 4.5760 8.3369 114.3594 55.4596 36.8760 175.3539 112 T 4.5764 7.6794 106.5561 61.0968 69.0524 173.5041 113 Y 4.0905 8.6013 125.1201 58.0998 39.4466 174.7657 114 S 4.9552 8.9893 121.5162 56.1978 64.6178 174.8468 115 K 4.2663 8.8299 127.2444 58.5867 32.0128 178.3453 116 K 4.1285 7.3452 115.5189 57.9116 32.8511 176.9941 117 Y 4.5365 7.4259 117.1576 58.1373 38.6868 175.6960 118 M 4.4287 7.3824 120.0855 56.0909 32.5402 175.5710 119 L 3.7129 8.5484 119.5022 55.4824 40.1619 174.5733 120 Y 4.0819 8.2006 118.7994 56.8468 38.8436 173.9805 121 P 4.3935 0.0000 0.0000 62.6242 32.3502 176.7130 122 D 4.2570 8.8857 120.8439 57.3091 41.3303 178.0636 *124 F 4.7452 7.8236 111.2083 56.5091 39.5569 175.2447 125 L 3.9439 6.6170 118.7718 54.9690 41.4235 176.9820 126 C 4.6944 7.9622 118.8574 55.1559 38.8510 171.3879 127 K 4.4522 8.1353 121.1311 54.6547 33.4732 175.3637 128 G 3.8388 8.2697 108.7743 43.8386 0.0000 171.8497 129 E 4.6720 8.1442 116.0172 54.5640 32.5031 175.5322 130 L 4.1620 8.0827 119.9380 54.3879 44.1269 174.6823 131 K 4.1874 8.4528 126.5656 56.3005 33.0806 178.1358 *133 C 4.8005 8.5419 118.1121 57.4727 41.5270 173.7997 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 4.99 0.00 4.17 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 2 L 8.30 4.19 0.00 1.86 1.89 1.14 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.43 4.03 0.00 1.69 1.71 0.95 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.02 4.09 0.00 1.80 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 1.87 2.30 0.00 5 F 8.42 4.76 0.00 3.35 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 6 G 8.33 3.56 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 0.00 0.00 0.00 7 K 7.97 4.03 0.00 1.90 2.11 0.00 1.84 0.00 0.00 1.77 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.50 7.81 8 M 8.42 4.05 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.51 0.00 9 I 7.70 3.64 1.69 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.24 0.67 0.00 0.00 10 L 7.71 4.46 0.00 1.79 1.92 0.98 0.87 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 11 E 8.25 3.98 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 2.42 2.77 0.00 12 E 8.09 4.13 0.00 2.18 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 2.44 2.38 0.00 13 T 8.64 4.39 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 1.28 0.00 0.00 14 G 8.15 3.85 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 0.00 0.00 0.00 *16 K 7.53 4.19 0.00 1.86 1.61 0.00 1.52 0.00 0.00 0.97 0.00 0.00 2.51 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.17 1.26 7.81 17 L 8.09 4.49 0.00 1.69 1.72 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 18 A 8.91 4.08 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 19 I 7.66 4.71 1.91 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 1.54 0.73 0.95 0.00 0.00 20 P 0.00 5.40 0.00 2.19 2.14 0.00 3.36 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.93 0.00 21 S 7.78 4.28 0.00 3.73 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 22 Y 8.12 4.78 0.00 2.85 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 23 S 8.14 4.58 0.00 4.11 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 24 S 7.80 4.74 0.00 4.06 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 25 Y 8.23 4.79 0.00 3.18 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 26 G 7.73 3.43 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 0.00 0.00 0.00 0.00 27 C 9.01 4.66 0.00 3.05 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 28 Y 8.41 4.21 0.00 3.21 3.13 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 29 C 8.29 4.75 0.00 3.45 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 G 8.76 4.92 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 0.00 0.00 0.00 31 W 9.07 4.16 0.00 3.33 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 32 G 7.13 3.33 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 0.00 0.00 0.00 0.00 33 G 7.86 3.71 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 0.00 34 K 7.32 4.42 0.00 1.69 1.59 0.00 1.84 0.00 0.00 1.74 0.00 0.00 2.83 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.39 7.81 35 G 8.37 3.81 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 0.00 0.00 0.00 36 T 8.05 4.42 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 1.13 0.00 0.00 37 P 0.00 4.54 0.00 1.88 1.93 0.00 3.41 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.67 0.00 38 K 9.43 3.84 0.00 0.79 0.74 0.00 1.74 0.00 0.00 1.49 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.12 0.30 7.81 39 D 7.33 4.41 0.00 2.76 2.60 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 40 A 8.80 3.98 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 7.92 3.96 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 0.95 0.00 0.00 42 D 8.52 4.54 0.00 3.01 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 43 R 8.32 3.95 0.00 2.08 1.96 0.00 3.15 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 44 C 8.30 4.14 0.00 3.23 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 45 C 8.21 4.31 0.00 3.35 3.46 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 46 F 8.34 3.74 0.00 2.55 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 47 V 8.13 3.26 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 0.73 0.00 0.00 1.01 0.00 0.00 48 H 8.11 3.76 0.00 3.09 3.28 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 D 8.31 4.13 0.00 2.77 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 50 C 7.50 3.97 0.00 2.77 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 51 C 8.24 4.24 0.00 2.88 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 52 Y 7.94 4.28 0.00 3.02 2.79 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 53 G 7.99 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 54 N 7.78 4.64 0.00 2.85 2.83 0.00 0.00 6.81 7.31 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 55 L 7.65 4.73 0.00 1.47 1.52 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 56 P 0.00 4.23 0.00 2.16 2.08 0.00 3.59 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.09 0.00 *59 D 7.78 4.97 0.00 2.74 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 *61 C 7.73 5.30 0.00 3.04 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 *67 N 7.95 4.90 0.00 2.74 2.77 0.00 0.00 7.60 8.03 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 68 P 0.00 4.10 0.00 1.12 0.49 0.00 3.33 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.57 0.00 69 K 7.93 4.21 0.00 1.83 1.90 0.00 1.66 0.00 0.00 1.96 0.00 0.00 3.10 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.44 7.81 70 S 7.83 4.55 0.00 3.94 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 71 D 8.41 4.47 0.00 2.69 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 8.64 4.92 0.00 1.81 1.75 0.00 3.23 0.00 0.00 3.91 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.70 0.00 73 Y 7.67 5.00 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 74 K 8.65 4.94 0.00 1.74 1.86 0.00 1.63 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.36 7.81 75 Y 8.32 5.55 0.00 3.10 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 76 K 9.59 4.71 0.00 1.76 1.92 0.00 1.27 0.00 0.00 1.81 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.50 1.43 7.81 77 R 8.46 5.67 0.00 1.73 1.95 0.00 3.71 0.00 0.00 3.91 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 78 V 8.55 4.02 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 1.02 0.00 0.00 0.96 0.00 0.00 79 N 8.36 4.06 0.00 2.91 2.04 0.00 0.00 7.14 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 80 G 8.92 3.71 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 0.00 81 A 7.85 4.20 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 82 I 8.27 4.56 1.83 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 1.23 0.61 0.75 0.00 0.00 83 V 9.18 4.38 2.24 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 0.97 0.00 0.00 0.97 0.00 0.00 84 C 8.92 4.93 0.00 2.87 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 85 E 9.07 4.65 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 2.36 2.45 0.00 86 K 8.57 3.80 0.00 1.79 1.71 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.52 1.45 7.81 *88 G 8.29 4.42 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 0.00 0.00 0.00 89 T 8.25 4.20 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 1.27 0.00 0.00 90 S 8.44 4.04 0.00 3.89 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 91 C 8.10 4.25 0.00 2.99 3.09 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 92 E 8.13 3.92 0.00 2.31 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 2.61 2.63 0.00 93 N 8.12 4.24 0.00 2.85 2.81 0.00 0.00 7.02 7.79 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 94 R 7.83 3.90 0.00 1.82 1.92 0.00 3.09 0.00 0.00 3.24 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.62 0.00 95 I 7.92 3.66 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.95 0.94 0.00 0.00 96 C 7.68 3.14 0.00 1.97 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 97 E 7.98 3.72 0.00 2.07 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 98 C 7.94 4.20 0.00 3.20 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 99 D 7.99 3.90 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 0.00 100 K 8.12 3.73 0.00 1.76 1.91 0.00 1.58 0.00 0.00 1.72 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.37 1.39 7.81 101 A 7.74 3.88 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 0.00 102 A 7.64 3.44 0.98 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 0.00 103 A 8.07 3.96 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 0.00 104 I 7.69 3.64 1.92 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 1.38 0.45 0.87 0.00 0.00 105 C 8.06 4.23 0.00 2.92 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 0.00 106 F 8.18 4.62 0.00 3.07 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 8.13 3.92 0.00 1.97 2.14 0.00 3.31 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 108 Q 8.50 4.17 0.00 2.13 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.96 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 109 N 7.68 5.09 0.00 2.90 2.83 0.00 0.00 6.82 7.87 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 0.00 110 L 8.10 4.12 0.00 1.71 1.77 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.34 4.58 0.00 2.86 3.03 0.00 0.00 5.83 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 0.00 112 T 7.68 4.58 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 1.27 0.00 0.00 113 Y 8.60 4.09 0.00 3.04 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 0.00 114 S 8.99 4.96 0.00 3.96 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 0.00 115 K 8.83 4.27 0.00 1.89 1.89 0.00 1.76 0.00 0.00 1.91 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.69 1.61 7.81 116 K 7.35 4.13 0.00 1.68 1.72 0.00 1.26 0.00 0.00 1.45 0.00 0.00 2.58 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.84 0.25 7.81 117 Y 7.43 4.54 0.00 2.06 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 0.00 0.00 0.00 118 M 7.38 4.43 0.00 2.03 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.68 0.00 119 L 8.55 3.71 0.00 1.78 1.74 0.93 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 120 Y 8.20 4.08 0.00 3.08 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 0.00 121 P 0.00 4.39 0.00 2.45 2.21 0.00 2.75 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 1.31 1.74 0.00 122 D 8.89 4.26 0.00 2.80 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 *124 F 7.82 4.75 0.00 3.26 3.17 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 0.00 125 L 6.62 3.94 0.00 1.11 1.51 0.37 0.45 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 0.00 126 C 7.96 4.69 0.00 3.08 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 0.00 127 K 8.14 4.45 0.00 1.74 1.74 0.00 1.72 0.00 0.00 1.73 0.00 0.00 3.10 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.39 1.53 7.81 128 G 8.27 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 0.00 129 E 8.14 4.67 0.00 2.07 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 0.00 2.17 2.27 0.00 130 L 8.08 4.16 0.00 1.48 1.39 0.29 0.47 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 0.00 131 K 8.45 4.19 0.00 1.89 1.73 0.00 1.76 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.56 1.49 7.81 *133 C 8.54 4.80 0.00 2.92 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 * Residues marked with a * may have inaccurate shift predictions.