NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.4244 8.2985 121.7425 55.8733 31.2694 174.8537 3 A 4.4163 8.7197 128.4671 51.2141 19.4139 171.2544 4 V 4.3008 9.3331 122.5235 61.2883 33.3877 173.7520 5 K 4.8471 8.5368 126.6409 54.8997 35.2073 175.6702 6 T 4.5415 8.8300 118.2904 61.1737 70.6205 173.0577 7 D 4.7361 8.7222 127.3409 53.6989 39.5433 177.0828 8 R 4.3077 7.7818 117.3911 56.8427 30.6429 175.6704 9 A 4.7818 7.2897 119.1114 49.0492 22.4558 173.9769 10 P 4.2267 0.0000 0.0000 62.6810 31.6994 176.9067 11 A 4.0010 8.5354 125.9582 52.2373 18.8293 177.6911 12 A 3.9540 8.4715 124.8277 50.4125 16.9654 176.0188 13 I 4.0151 9.0482 113.7553 62.4676 37.5862 176.7437 14 G 3.9651 7.7583 114.0612 44.3040 0.0000 168.9820 15 P 4.6757 0.0000 0.0000 62.3451 31.3096 175.4727 16 Y 4.8588 7.3881 113.8724 55.6951 41.1439 173.1869 17 A 4.6776 8.2655 122.5441 50.0528 21.9290 176.6401 18 Q 4.4241 8.6671 118.6732 59.2817 29.9360 176.3038 19 A 5.0323 7.5679 117.3967 51.4556 22.8119 175.3402 20 V 4.8601 8.9159 118.9807 61.1563 35.2204 174.3612 21 K 5.1747 8.8252 126.9907 55.0450 33.4793 175.8778 22 A 4.4796 9.6263 125.7090 52.4114 22.3740 175.8375 23 G 4.2806 10.1507 107.4490 46.3337 0.0000 174.6776 24 G 3.7491 8.6238 107.9022 44.3960 0.0000 173.2794 25 F 5.2023 8.6461 117.8389 55.4179 43.4237 174.1315 26 V 4.9212 8.8128 119.4239 61.3595 34.3560 174.0203 27 F 4.9886 9.6316 127.4616 55.9891 41.0684 174.7212 28 V 4.7956 8.5616 124.7382 61.1854 33.2155 175.6920 29 S 4.5447 9.0122 124.2641 58.0757 63.7178 174.4295 30 G 3.9330 8.6187 109.1543 46.5954 0.0000 172.5980 31 Q 4.9894 9.3493 124.4017 54.0835 31.2330 174.8851 32 I 4.8823 8.1404 115.7487 57.6770 41.1348 174.5393 33 P 4.7531 0.0000 0.0000 62.8142 28.3576 175.5045 34 L 5.0353 7.4973 118.1984 52.3723 45.3509 177.2152 35 A 4.2441 8.4628 126.6879 51.1866 19.0721 176.1512 36 P 4.1492 0.0000 0.0000 65.9801 31.4064 177.3518 37 D 4.6355 8.0447 114.6667 53.4213 39.1934 176.4410 38 G 4.1746 8.2950 111.3387 45.8739 0.0000 174.9870 39 S 4.2091 7.7871 113.4529 58.7686 64.1868 173.7906 40 L 4.4801 8.3304 124.0647 53.7920 42.3971 176.1257 41 V 3.8531 8.3509 128.2665 62.8637 31.6686 175.3396 42 E 4.6803 10.1797 127.3921 54.1217 31.9687 176.7657 43 G 3.8781 8.0684 107.0815 44.7018 0.0000 172.0210 44 D 4.6841 7.9720 120.7595 52.6003 41.7789 176.5802 45 I 3.7423 8.3323 119.2069 64.8385 36.9413 178.4540 46 R 3.9339 8.2368 118.1263 59.4189 29.7926 179.1071 47 V 3.5910 7.8576 117.1898 66.1874 31.5618 178.1323 48 Q 4.0364 7.9548 117.3591 59.3107 28.3348 178.8459 49 T 3.9944 8.4627 116.1240 66.5222 68.5434 175.8999 50 E 4.0229 7.9997 120.3826 59.3367 29.9761 178.5986 51 R 4.0557 7.7867 118.7119 59.2122 30.1149 179.1420 52 V 3.4403 7.7238 114.9811 63.8840 31.5223 177.2236 *54 E 4.1756 8.1380 118.3696 56.0116 31.6404 177.8668 55 N 4.2908 8.1923 116.0530 56.2947 38.5367 177.2110 56 L 3.9622 7.8347 120.1742 57.7463 41.7878 179.2336 57 K 3.7411 8.0420 118.5936 59.6734 32.0327 178.1914 58 A 3.9836 8.4551 120.9279 55.2052 18.1074 179.7557 59 V 3.5664 7.9963 115.7177 66.0537 31.9455 177.8994 60 L 4.1642 8.3284 119.0375 57.9032 41.4465 179.2757 61 E 4.2281 8.5034 119.4052 58.9988 29.2779 179.2877 62 A 3.4706 7.9027 118.7910 54.6506 18.3322 178.4370 63 A 4.5390 7.7479 117.1594 51.3358 19.1715 177.2405 64 G 3.8943 8.8839 107.0050 47.0641 0.0000 174.2709 65 S 4.5300 7.4253 115.8460 58.1434 64.3188 171.7571 66 G 3.9756 7.9850 105.6739 45.3241 0.0000 173.9102 67 L 4.0297 8.0334 118.7456 57.7222 41.5674 179.9078 68 S 4.3358 8.0587 111.1736 60.2308 63.2270 174.7032 69 R 4.4464 7.7539 119.4834 55.7847 30.3026 175.7837 70 V 4.1949 7.7598 119.4635 63.0224 32.0324 175.9279 71 V 4.3315 8.7208 120.0167 62.2358 33.9657 175.6261 72 Q 5.1302 7.8423 120.4927 54.7165 32.2660 173.5793 73 T 5.1389 8.9582 114.6220 60.2918 73.0824 172.8534 74 T 4.6994 9.2110 119.8186 62.1734 71.8419 172.5886 75 C 4.9789 8.7103 125.4121 57.8396 30.7985 173.0100 76 F 5.3161 8.9449 122.9130 55.6547 41.1745 174.7951 77 L 5.2207 8.7728 122.9827 52.8845 44.5265 177.3382 78 A 4.0672 8.6540 122.7993 54.4946 19.2337 177.0883 79 D 4.2528 7.4773 113.9834 53.8025 43.6953 174.7552 *81 E 4.3165 8.8001 113.6346 56.9322 31.6519 176.8515 82 D 4.7495 8.3760 116.6908 54.6722 40.6825 177.9049 83 F 4.1922 7.9006 122.1130 60.9876 39.3705 174.8039 84 P 4.2632 0.0000 0.0000 65.9783 30.9781 178.8356 85 G 3.5680 8.0519 103.4424 47.4703 0.0000 175.4178 86 F 4.1450 7.9084 122.5440 61.1514 39.4277 176.8392 87 N 3.7330 8.3203 117.1795 56.3945 38.4267 176.2549 88 E 3.8583 7.9175 119.7971 59.4473 30.0930 178.7336 89 V 3.7942 7.4617 118.0126 65.8285 31.3128 177.3199 90 Y 3.9872 8.0447 119.5533 60.6790 38.3380 177.9436 91 A 4.0679 8.3035 120.9563 55.2731 18.4213 179.5486 92 R 3.8641 7.6053 115.6515 59.3790 30.2028 177.6651 93 Y 3.9577 7.5564 113.9835 58.6675 38.4626 175.5392 94 F 4.8818 7.7516 117.5741 55.9894 41.1429 175.0418 95 T 4.5968 8.1751 118.5129 60.7169 71.9801 172.4084 96 P 3.7706 0.0000 0.0000 61.6883 31.7723 174.5250 97 P 4.2697 0.0000 0.0000 62.3164 31.8098 176.0464 98 Y 4.5330 8.1539 120.8339 57.2746 38.5300 173.8819 99 P 4.7787 0.0000 0.0000 62.0904 32.6855 176.2005 100 A 4.3145 9.3877 124.6661 52.1603 19.4863 176.7677 101 R 5.1420 8.6412 119.3205 53.4655 34.0035 174.1920 102 A 4.6515 8.2531 124.2517 50.6059 22.4693 175.0274 103 T 4.9373 8.3524 118.3253 61.9154 72.1498 173.8007 104 V 4.5064 8.4440 117.1024 59.9968 36.9042 173.2113 105 A 5.0037 8.4574 124.3172 50.8930 20.1337 177.0840 106 V 4.3517 8.3916 115.8641 59.1480 34.3463 176.3935 107 K 3.9545 8.7453 122.6485 59.2095 32.1043 176.5289 108 A 4.5604 7.3220 117.0948 51.2416 22.0440 174.8250 109 L 4.7771 7.9488 118.6720 51.5745 45.3282 174.5402 110 P 4.3059 0.0000 0.0000 64.7343 31.5216 176.9543 111 R 3.8321 9.3613 121.0544 57.3158 27.5620 176.8961 112 G 3.8909 8.1296 102.4897 45.9558 0.0000 174.9777 113 V 3.7673 7.2739 119.0151 63.1716 32.1335 175.8538 114 R 4.6301 8.7818 119.2491 56.6702 30.9424 176.2350 115 V 5.0668 7.5259 118.4273 60.4109 34.4632 173.6391 116 E 5.0087 9.3169 123.8156 54.6518 33.3662 174.0781 117 V 4.8997 9.0186 125.7989 61.2159 34.8936 174.0007 118 A 5.3466 8.9040 129.2297 50.6733 22.6483 174.3721 119 C 5.0959 8.3620 111.9688 57.4175 34.0669 172.7556 120 V 4.8862 9.1721 118.3851 61.1595 34.5120 174.0468 121 A 5.2961 8.8315 127.6719 50.2416 23.3441 174.5244 122 L 4.4193 8.6322 119.0146 54.3143 42.7985 177.7276 123 A 4.5665 7.8789 124.7975 50.7814 21.6597 177.4219 124 E 4.1690 8.5043 114.6871 56.8293 30.2687 176.0250 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 2 E 8.30 4.42 0.00 2.09 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 2.31 2.35 0.00 3 A 8.72 4.42 1.27 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 0.00 0.00 4 V 9.33 4.30 2.22 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 0.87 0.00 0.00 0.98 0.00 0.00 5 K 8.54 4.85 0.00 1.63 1.66 0.00 1.82 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.32 7.81 6 T 8.83 4.54 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 1.27 0.00 0.00 7 D 8.72 4.74 0.00 2.81 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 8 R 7.78 4.31 0.00 1.86 2.01 0.00 3.11 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.56 0.00 9 A 7.29 4.78 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 10 P 0.00 4.23 0.00 2.12 2.07 0.00 3.73 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 2.05 2.28 0.00 11 A 8.54 4.00 1.23 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 0.00 0.00 12 A 8.47 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 9.05 4.02 1.87 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.77 0.90 0.00 0.00 14 G 7.76 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 0.00 0.00 0.00 15 P 0.00 4.68 0.00 2.13 2.11 0.00 3.87 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 2.08 2.10 0.00 16 Y 7.39 4.86 0.00 3.18 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 17 A 8.27 4.68 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 18 Q 8.67 4.42 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.40 0.00 19 A 7.57 5.03 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 20 V 8.92 4.86 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 1.08 0.00 0.00 0.99 0.00 0.00 21 K 8.83 5.17 0.00 1.81 1.79 0.00 1.82 0.00 0.00 1.89 0.00 0.00 2.83 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.44 7.81 22 A 9.63 4.48 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 23 G 10.15 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 0.00 0.00 0.00 0.00 24 G 8.62 3.75 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 0.00 0.00 0.00 25 F 8.65 5.20 0.00 2.73 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.81 4.92 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 1.05 0.00 0.00 0.95 0.00 0.00 27 F 9.63 4.99 0.00 3.00 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 V 8.56 4.80 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 1.11 0.00 0.00 1.01 0.00 0.00 29 S 9.01 4.54 0.00 4.03 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 30 G 8.62 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 31 Q 9.35 4.99 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.56 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 32 I 8.14 4.88 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.95 0.91 0.00 0.00 33 P 0.00 4.75 0.00 2.12 2.08 0.00 3.56 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.28 0.00 34 L 7.50 5.04 0.00 1.60 1.56 0.95 0.94 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 35 A 8.46 4.24 1.33 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 36 P 0.00 4.15 0.00 2.06 2.35 0.00 3.69 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.22 0.00 37 D 8.04 4.64 0.00 2.79 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 38 G 8.30 4.17 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 0.00 39 S 7.79 4.21 0.00 3.92 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 40 L 8.33 4.48 0.00 1.68 1.65 0.93 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 41 V 8.35 3.85 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 0.81 0.00 0.00 0.94 0.00 0.00 42 E 10.18 4.68 0.00 1.99 1.84 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 2.23 2.50 0.00 43 G 8.07 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 44 D 7.97 4.68 0.00 2.91 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 45 I 8.33 3.74 1.95 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.69 1.07 0.00 0.00 46 R 8.24 3.93 0.00 2.13 2.01 0.00 3.14 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.80 0.00 47 V 7.86 3.59 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 1.09 0.00 0.00 1.02 0.00 0.00 48 Q 7.95 4.04 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.58 0.00 0.00 0.00 0.00 0.00 2.41 2.68 0.00 49 T 8.46 3.99 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 1.24 0.00 0.00 50 E 8.00 4.02 0.00 2.10 2.20 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 2.36 2.44 0.00 51 R 7.79 4.06 0.00 1.92 2.08 0.00 3.38 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 52 V 7.72 3.44 2.33 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 1.08 0.00 0.00 1.08 0.00 0.00 *54 E 8.14 4.18 0.00 2.15 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 2.41 2.30 0.00 55 N 8.19 4.29 0.00 2.94 2.89 0.00 0.00 7.02 6.42 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 56 L 7.83 3.96 0.00 1.63 1.75 1.08 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 57 K 8.04 3.74 0.00 1.75 2.02 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.16 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.51 1.53 7.81 58 A 8.46 3.98 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 59 V 8.00 3.57 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 0.93 0.00 0.00 1.07 0.00 0.00 60 L 8.33 4.16 0.00 1.89 1.81 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.50 4.23 0.00 2.02 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 2.33 2.19 0.00 62 A 7.90 3.47 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 63 A 7.75 4.54 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 64 G 8.88 3.89 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 0.00 0.00 0.00 65 S 7.43 4.53 0.00 3.81 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 66 G 7.99 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 0.00 0.00 0.00 67 L 8.03 4.03 0.00 1.62 1.58 0.86 0.20 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 68 S 8.06 4.34 0.00 3.97 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 69 R 7.75 4.45 0.00 2.09 2.09 0.00 3.47 0.00 0.00 3.17 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 70 V 7.76 4.19 2.46 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 0.91 0.00 0.00 1.18 0.00 0.00 71 V 8.72 4.33 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 0.82 0.00 0.00 1.08 0.00 0.00 72 Q 7.84 5.13 0.00 2.06 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 73 T 8.96 5.14 4.35 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 1.12 0.00 0.00 74 T 9.21 4.70 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 0.73 0.00 0.00 75 C 8.71 4.98 0.00 2.58 2.48 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.94 5.32 0.00 2.94 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 77 L 8.77 5.22 0.00 1.49 1.47 0.92 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 78 A 8.65 4.07 1.27 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 0.00 0.00 79 D 7.48 4.25 0.00 2.72 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.80 4.32 0.00 2.23 2.05 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 2.27 2.46 0.00 82 D 8.38 4.75 0.00 2.87 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 83 F 7.90 4.19 0.00 3.22 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 84 P 0.00 4.26 0.00 2.22 2.14 0.00 3.86 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.33 0.00 85 G 8.05 3.57 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 0.00 86 F 7.91 4.15 0.00 3.11 3.20 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 87 N 8.32 3.73 0.00 1.81 2.49 0.00 0.00 6.89 8.08 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 88 E 7.92 3.86 0.00 2.05 2.05 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 2.30 2.30 0.00 89 V 7.46 3.79 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 1.04 0.00 0.00 1.07 0.00 0.00 90 Y 8.04 3.99 0.00 2.36 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 91 A 8.30 4.07 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 92 R 7.61 3.86 0.00 1.67 1.50 0.00 3.13 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 1.55 1.81 0.00 93 Y 7.56 3.96 0.00 2.32 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.75 4.88 0.00 3.03 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 95 T 8.18 4.60 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 1.10 0.00 0.00 96 P 0.00 3.77 0.00 1.81 1.70 0.00 3.43 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.11 0.00 97 P 0.00 4.27 0.00 2.18 2.04 0.00 3.72 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 1.97 1.97 0.00 98 Y 8.15 4.53 0.00 3.03 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 99 P 0.00 4.78 0.00 1.78 1.94 0.00 3.63 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 2.27 0.00 100 A 9.39 4.31 1.21 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 0.00 0.00 101 R 8.64 5.14 0.00 1.71 1.68 0.00 2.63 0.00 0.00 2.25 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.33 0.00 102 A 8.25 4.65 1.08 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 0.00 103 T 8.35 4.94 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 1.16 0.00 0.00 104 V 8.44 4.51 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 0.58 0.00 0.00 0.95 0.00 0.00 105 A 8.46 5.00 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 0.00 106 V 8.39 4.35 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 0.81 0.00 0.00 0.97 0.00 0.00 107 K 8.75 3.95 0.00 1.69 1.82 0.00 1.80 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 108 A 7.32 4.56 1.18 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 0.00 0.00 0.00 109 L 7.95 4.78 0.00 1.81 1.49 1.01 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 110 P 0.00 4.31 0.00 2.12 1.96 0.00 3.73 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 2.02 2.04 0.00 111 R 9.36 3.83 0.00 1.94 2.00 0.00 3.37 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.60 0.00 112 G 8.13 3.89 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 0.00 0.00 0.00 113 V 7.27 3.77 2.30 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 0.86 0.00 0.00 0.94 0.00 0.00 114 R 8.78 4.63 0.00 1.97 2.17 0.00 3.03 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.92 0.00 115 V 7.53 5.07 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 0.77 0.00 0.00 1.02 0.00 0.00 116 E 9.32 5.01 0.00 2.06 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 2.31 2.27 0.00 117 V 9.02 4.90 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 1.08 0.00 0.00 1.23 0.00 0.00 118 A 8.90 5.35 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 0.00 119 C 8.36 5.10 0.00 3.33 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 0.00 120 V 9.17 4.89 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 0.53 0.00 0.00 0.88 0.00 0.00 121 A 8.83 5.30 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 0.00 122 L 8.63 4.42 0.00 1.49 1.46 0.89 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 123 A 7.88 4.57 1.21 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 0.00 0.00 124 E 8.50 4.17 0.00 1.90 1.79 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 2.37 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.