NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 5.1947 8.1832 117.6010 52.5378 38.7510 174.6494 2 L 4.2800 8.1991 116.9177 56.3482 41.5220 178.6857 3 F 4.3620 9.0265 119.5706 60.4921 39.3435 177.0182 4 Q 4.4760 8.5322 119.2561 58.0488 28.6850 178.1608 5 F 4.5285 8.4803 121.6385 61.3877 39.4745 177.0551 6 A 3.9167 8.4324 120.5696 55.0789 18.1371 179.3233 7 E 4.0948 8.4235 117.1533 60.1722 29.6300 179.6492 8 M 4.6293 8.4799 118.5429 58.4696 31.9117 179.0040 9 I 3.7667 7.6997 119.9930 64.2847 37.2654 178.6569 10 V 3.8311 7.7443 120.4157 65.3634 31.1566 178.0712 11 K 3.8311 7.6689 118.5024 59.6060 32.0239 178.4046 12 M 4.2475 8.0319 118.4648 57.4281 32.1193 177.7569 13 T 4.4912 8.2006 107.7955 60.6866 70.6359 175.7051 14 G 3.7786 7.9620 109.6144 45.7170 0.0000 173.1355 *16 K 4.1931 7.4538 117.6952 55.9692 33.5853 174.3013 17 N 4.8035 8.3510 119.9926 52.4622 40.1037 174.3505 18 P 4.4053 0.0000 0.0000 65.9555 31.0010 178.2851 19 L 4.3556 7.6915 120.3885 57.5535 42.2294 178.5113 20 S 4.2823 7.8348 112.8536 60.5945 62.8432 175.1602 21 S 4.6523 7.6684 115.0472 58.5042 64.2596 174.5306 22 Y 4.7112 7.7984 114.0019 57.8016 38.6577 176.5321 23 S 4.4385 8.0442 117.2793 59.9933 63.5222 173.3147 24 D 4.7962 7.9337 119.8460 53.6992 41.8539 172.8812 25 Y 4.9029 8.9255 127.8288 57.1207 42.5649 175.0464 26 G 3.5499 8.0739 117.1051 46.5234 0.0000 172.8260 27 C 4.6265 8.9339 115.2981 57.6544 41.0974 174.4640 28 Y 4.4079 8.3831 114.5451 57.7123 39.8545 174.9685 29 C 4.6761 8.5331 118.8627 57.7301 41.6763 174.2713 30 G 4.3867 8.6885 116.5347 47.2931 0.0000 176.5664 31 W 4.6587 9.1421 119.4464 55.1669 28.2092 175.2158 32 G 3.9259 7.6297 118.3827 45.3033 0.0000 171.2990 33 G 4.3708 9.3627 115.4223 44.8564 0.0000 172.6253 34 K 4.4503 7.1793 118.0237 55.7901 35.1990 176.2504 35 G 3.8597 8.3940 110.5248 44.1309 0.0000 172.4383 36 K 4.5457 8.0309 116.9154 53.4701 34.4596 174.3884 37 P 4.5681 0.0000 0.0000 63.0336 31.4414 176.6273 38 Q 4.0459 8.8277 124.0627 58.6448 29.1035 175.6718 39 D 4.4835 7.1773 114.5420 51.4785 41.7933 174.9730 40 A 4.0464 8.7155 119.3741 55.9403 18.3409 180.0460 41 T 4.0145 7.9919 113.8302 67.0130 68.6456 176.2307 42 D 4.5779 8.5245 119.8982 57.3810 41.0964 178.3080 43 R 4.0310 8.1245 119.4678 59.4853 30.0627 177.7616 44 C 4.2335 8.4286 116.4975 60.2328 41.2790 175.5351 45 C 4.3984 8.3867 117.7089 59.8062 40.9918 175.8998 46 F 3.8327 8.2866 122.2879 61.3142 38.9342 177.2784 47 V 3.2065 7.8991 117.9774 66.2435 31.2879 177.4545 48 H 3.8401 7.9788 117.9128 59.1292 29.7070 177.0731 49 D 4.1594 7.9814 120.9220 57.2794 40.6605 178.0655 50 C 4.0958 7.8229 117.1877 59.9104 39.8962 175.2162 51 C 4.0986 7.8949 119.2054 60.0048 37.6946 175.0043 52 Y 4.1428 7.8167 118.0592 61.1482 37.1825 178.3819 53 E 4.0520 7.9163 118.0987 58.8757 29.5995 178.8792 54 K 4.1193 7.7902 118.4723 57.8852 32.6806 177.2426 55 V 4.4398 7.1933 112.3911 59.7832 32.1740 176.7573 56 K 3.7442 8.2172 120.8835 60.0519 32.5973 177.8169 *59 S 4.2440 7.9312 111.6036 58.3023 64.5174 175.3943 *61 C 5.1183 7.9046 116.6120 57.2407 43.2450 174.1672 *67 K 4.0011 7.4813 119.2638 55.2958 32.3417 174.0771 68 P 3.9425 0.0000 0.0000 65.3255 31.8218 178.4085 69 K 4.1328 7.8753 118.4101 58.6899 32.3332 177.8858 70 L 4.3199 7.6532 116.3514 55.0418 42.4046 176.3613 71 S 4.1305 7.9730 114.6172 57.6452 62.3655 173.0343 72 L 4.3131 8.4872 130.8561 54.1862 41.8624 174.8754 73 Y 4.8705 7.4032 125.3354 55.1346 40.7562 174.1801 74 S 5.0393 9.0623 114.0551 56.9644 64.9527 172.7641 75 Y 5.4564 8.3522 123.5262 56.6026 40.8030 173.1349 76 S 4.2124 8.8316 113.2912 56.8202 67.1450 172.7262 77 F 5.3012 8.3948 119.4385 56.4647 40.2556 175.7002 78 Q 4.4318 8.8509 122.2416 55.2362 31.9169 175.1700 79 N 4.4915 9.9413 121.7096 54.3993 36.3489 173.8506 80 G 3.7365 9.2586 99.1866 46.0193 0.0000 173.1903 81 G 4.1316 7.5330 105.9215 44.9110 0.0000 172.1999 82 I 5.1953 8.2826 119.4144 59.3907 40.0724 175.9330 83 V 4.3678 8.7442 125.4100 61.1784 34.1838 173.8293 84 C 4.7470 9.0406 126.5136 56.4402 36.6386 173.9786 85 G 4.0625 8.9266 111.8683 46.2115 0.0000 172.5495 *87 D 4.8001 8.3784 118.1847 53.9113 42.1400 175.5893 88 N 4.4207 8.7498 119.7557 55.7171 38.2639 175.7218 89 H 4.2110 8.1455 120.2930 55.4508 30.6429 175.1453 90 S 4.0461 8.6852 124.5816 62.2673 62.3602 177.3830 91 C 4.2552 7.6979 119.6603 59.3429 37.7886 176.0440 92 K 3.9367 8.0392 119.6147 59.1214 31.8597 179.2431 93 R 3.8126 8.2009 119.0363 59.1665 30.0442 178.5006 94 A 3.8882 7.7501 120.3729 54.9864 18.4954 179.8246 95 V 3.3741 7.3619 116.8669 66.0592 31.4799 177.4237 96 C 2.8707 7.5317 118.2409 59.2869 39.7030 175.5029 97 E 3.6526 7.8581 120.0743 59.1272 28.9463 178.7184 98 C 4.1181 7.8730 116.5263 60.1704 41.3767 175.8831 99 D 3.6917 7.6874 120.0297 56.8980 40.3147 178.7565 100 R 3.7997 7.9773 119.4616 59.7457 30.0686 179.1611 101 V 3.8268 7.8844 113.1035 63.5565 31.4870 178.5551 102 A 3.5572 7.8010 120.6010 54.7506 18.0365 179.5844 103 A 3.8231 8.0166 119.6531 55.4176 18.3721 179.9933 104 T 3.9386 7.9254 108.2907 64.7725 68.6910 176.1967 105 C 4.2380 8.0641 121.2236 59.5079 42.1855 175.2337 106 F 4.6033 7.7170 119.5554 60.5684 38.1213 177.6489 107 R 3.9958 7.9873 118.1959 59.5448 29.6870 178.3093 108 D 4.6213 8.1999 117.5670 56.1769 40.8935 176.8405 109 N 5.3149 7.5628 114.8289 52.0622 39.5643 176.4326 110 L 4.2758 7.7935 120.0320 57.1577 41.9120 179.2932 111 N 4.5178 8.3032 116.4290 55.5079 37.5538 176.4828 112 T 4.4068 7.6302 112.9034 63.4567 69.2615 174.0726 113 Y 3.9811 7.6404 123.5401 57.8276 39.1343 174.2517 114 D 4.8682 8.6316 126.9423 52.0625 43.6693 176.5379 115 K 3.9114 8.6605 125.7860 58.0876 32.4417 178.5621 116 K 3.5619 7.6468 119.8699 59.5779 32.0342 176.7946 117 Y 3.9821 7.0970 113.7601 58.1697 37.9628 174.9613 118 H 5.0468 7.5725 117.9431 56.4661 29.5231 175.0370 119 N 4.4173 8.9640 119.3170 52.9569 36.1079 174.3873 120 Y 4.3049 8.1751 117.3900 56.8682 39.9537 173.5528 121 P 4.1469 0.0000 0.0000 62.2638 32.0232 175.3416 122 P 4.0977 0.0000 0.0000 65.5485 31.4137 178.2331 *124 S 4.4244 7.8870 110.3454 57.9762 64.6098 174.6003 125 Q 4.0106 7.7774 118.7553 57.2304 28.7270 175.3428 126 C 4.6369 7.6631 115.7337 55.5494 38.8839 172.3000 127 T 4.5278 8.2880 118.7949 61.0808 69.8609 174.4983 128 G 4.0437 9.0794 114.6961 44.6935 0.0000 171.7269 129 T 4.7678 8.0273 113.4073 61.5402 71.9456 173.0614 130 E 4.5916 8.6927 124.2602 54.2701 32.3167 174.6110 131 Q 4.5027 8.5560 126.4510 54.7301 30.7567 175.8392 *133 C 4.4869 8.6766 121.1403 57.3941 41.6479 173.5904 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 N 8.18 5.19 0.00 3.16 3.16 0.00 0.00 6.15 5.79 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 2 L 8.20 4.28 0.00 1.73 1.79 0.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.03 4.36 0.00 3.34 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 4 Q 8.53 4.48 0.00 2.14 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.80 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 5 F 8.48 4.53 0.00 3.32 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 A 8.43 3.92 1.47 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 0.00 0.00 7 E 8.42 4.09 0.00 2.53 2.43 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 2.53 2.62 0.00 8 M 8.48 4.63 0.00 2.23 2.45 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.58 0.00 9 I 7.70 3.77 1.91 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.45 0.86 0.00 0.00 10 V 7.74 3.83 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 1.08 0.00 0.00 11 K 7.67 3.83 0.00 1.41 1.55 0.00 1.45 0.00 0.00 1.31 0.00 0.00 2.66 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.94 7.81 12 M 8.03 4.25 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.98 0.00 13 T 8.20 4.49 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 1.31 0.00 0.00 14 G 7.96 3.78 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 0.00 0.00 0.00 *16 K 7.45 4.19 0.00 1.86 1.64 0.00 1.60 0.00 0.00 1.08 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.24 7.81 17 N 8.35 4.80 0.00 2.78 2.67 0.00 0.00 6.76 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 4.41 0.00 2.27 2.25 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.03 0.00 19 L 7.69 4.36 0.00 1.68 1.93 1.00 1.09 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 20 S 7.83 4.28 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 21 S 7.67 4.65 0.00 3.35 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 22 Y 7.80 4.71 0.00 2.78 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 23 S 8.04 4.44 0.00 4.15 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 0.00 24 D 7.93 4.80 0.00 2.81 2.62 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 25 Y 8.93 4.90 0.00 3.12 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 26 G 8.07 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 27 C 8.93 4.63 0.00 2.91 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 28 Y 8.38 4.41 0.00 3.26 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 29 C 8.53 4.68 0.00 3.38 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 30 G 8.69 4.39 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 0.00 31 W 9.14 4.66 0.00 3.30 3.22 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 32 G 7.63 3.93 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 0.00 0.00 0.00 33 G 9.36 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 0.00 0.00 0.00 0.00 34 K 7.18 4.45 0.00 1.64 1.56 0.00 1.67 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.48 7.81 35 G 8.39 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 0.00 0.00 0.00 36 K 8.03 4.55 0.00 1.73 1.67 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.42 7.81 37 P 0.00 4.57 0.00 1.93 2.08 0.00 3.55 0.00 0.00 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.72 0.00 38 Q 8.83 4.05 0.00 1.33 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.40 2.07 0.00 39 D 7.18 4.48 0.00 2.75 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 8.72 4.05 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 41 T 7.99 4.01 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 0.87 0.00 0.00 42 D 8.52 4.58 0.00 2.98 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 43 R 8.12 4.03 0.00 2.12 2.12 0.00 3.15 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 44 C 8.43 4.23 0.00 3.36 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 45 C 8.39 4.40 0.00 3.44 3.37 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 46 F 8.29 3.83 0.00 2.71 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 47 V 7.90 3.21 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 0.89 0.00 0.00 1.00 0.00 0.00 48 H 7.98 3.84 0.00 3.07 3.27 0.00 5.64 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.98 4.16 0.00 2.68 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 50 C 7.82 4.10 0.00 2.78 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 51 C 7.89 4.10 0.00 2.97 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 52 Y 7.82 4.14 0.00 3.06 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 53 E 7.92 4.05 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 2.51 2.45 0.00 54 K 7.79 4.12 0.00 1.84 1.99 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.42 7.81 55 V 7.19 4.44 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 0.70 0.00 0.00 0.89 0.00 0.00 56 K 8.22 3.74 0.00 1.80 1.94 0.00 1.54 0.00 0.00 1.73 0.00 0.00 3.08 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.39 1.72 7.81 *59 S 7.93 4.24 0.00 4.02 4.16 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 *61 C 7.90 5.12 0.00 2.92 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 *67 K 7.48 4.00 0.00 1.92 1.77 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.40 1.44 7.81 68 P 0.00 3.94 0.00 0.94 0.87 0.00 3.46 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.86 0.00 69 K 7.88 4.13 0.00 1.86 1.79 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.50 1.47 7.81 70 L 7.65 4.32 0.00 1.66 1.70 0.92 0.85 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 71 S 7.97 4.13 0.00 4.15 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 72 L 8.49 4.31 0.00 1.60 1.56 0.90 0.89 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 73 Y 7.40 4.87 0.00 3.17 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 74 S 9.06 5.04 0.00 3.95 4.10 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 75 Y 8.35 5.46 0.00 3.11 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 76 S 8.83 4.21 0.00 3.79 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 77 F 8.39 5.30 0.00 3.01 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 78 Q 8.85 4.43 0.00 2.12 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.28 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 79 N 9.94 4.49 0.00 2.87 2.89 0.00 0.00 7.18 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 9.26 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 81 G 7.53 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 0.00 0.00 0.00 82 I 8.28 5.20 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 1.51 1.04 0.92 0.00 0.00 83 V 8.74 4.37 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 1.00 0.00 0.00 0.97 0.00 0.00 84 C 9.04 4.75 0.00 2.96 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 85 G 8.93 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 *87 D 8.38 4.80 0.00 2.72 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 88 N 8.75 4.42 0.00 2.83 2.94 0.00 0.00 6.04 7.90 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 89 H 8.15 4.21 0.00 3.27 3.25 0.00 5.90 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 90 S 8.69 4.05 0.00 3.99 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 91 C 7.70 4.26 0.00 2.89 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 92 K 8.04 3.94 0.00 2.04 2.09 0.00 1.68 0.00 0.00 1.95 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.63 1.62 7.81 93 R 8.20 3.81 0.00 1.94 1.86 0.00 3.29 0.00 0.00 3.13 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 94 A 7.75 3.89 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 95 V 7.36 3.37 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 1.00 0.00 0.00 0.83 0.00 0.00 96 C 7.53 2.87 0.00 2.20 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 97 E 7.86 3.65 0.00 2.10 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 0.00 2.39 2.40 0.00 98 C 7.87 4.12 0.00 3.16 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 99 D 7.69 3.69 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 0.00 100 R 7.98 3.80 0.00 1.82 1.95 0.00 3.32 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 101 V 7.88 3.83 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 1.03 0.00 0.00 0.90 0.00 0.00 102 A 7.80 3.56 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 0.00 103 A 8.02 3.82 1.47 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 0.00 0.00 104 T 7.93 3.94 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 1.27 0.00 0.00 105 C 8.06 4.24 0.00 2.99 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 0.00 106 F 7.72 4.60 0.00 3.13 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 0.00 107 R 7.99 4.00 0.00 1.90 2.14 0.00 3.11 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 108 D 8.20 4.62 0.00 2.89 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 0.00 109 N 7.56 5.31 0.00 2.97 2.87 0.00 0.00 7.16 6.62 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 0.00 110 L 7.79 4.28 0.00 1.80 1.74 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 111 N 8.30 4.52 0.00 2.91 3.12 0.00 0.00 6.23 7.22 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 0.00 112 T 7.63 4.41 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 1.29 0.00 0.00 113 Y 7.64 3.98 0.00 3.14 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 0.00 114 D 8.63 4.87 0.00 2.91 2.54 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 0.00 115 K 8.66 3.91 0.00 1.84 1.82 0.00 1.80 0.00 0.00 1.80 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.57 7.81 116 K 7.65 3.56 0.00 1.50 1.36 0.00 1.49 0.00 0.00 1.15 0.00 0.00 2.48 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.40 1.07 7.81 117 Y 7.10 3.98 0.00 1.43 1.70 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 0.00 118 H 7.57 5.05 0.00 3.29 3.23 0.00 5.78 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 0.00 119 N 8.96 4.42 0.00 2.86 2.87 0.00 0.00 7.22 7.46 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 0.00 120 Y 8.18 4.30 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 0.00 121 P 0.00 4.15 0.00 1.88 1.82 0.00 2.70 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 122 P 0.00 4.10 0.00 2.13 2.10 0.00 3.55 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 *124 S 7.89 4.42 0.00 3.94 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 0.00 125 Q 7.78 4.01 0.00 1.63 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 7.01 0.00 0.00 0.00 0.00 0.00 2.05 1.74 0.00 126 C 7.66 4.64 0.00 3.07 3.23 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 0.00 127 T 8.29 4.53 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 1.22 0.00 0.00 128 G 9.08 4.04 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 0.00 0.00 0.00 129 T 8.03 4.77 4.27 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 1.26 0.00 0.00 130 E 8.69 4.59 0.00 1.75 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 1.47 2.06 0.00 131 Q 8.56 4.50 0.00 2.09 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.42 0.00 0.00 0.00 0.00 0.00 2.31 2.41 0.00 *133 C 8.68 4.49 0.00 2.99 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 * Residues marked with a * may have inaccurate shift predictions.