NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 S 4.4034 8.3193 115.2891 58.0722 64.0326 174.4343 10 D 4.9156 7.7685 114.7046 51.4730 40.0911 174.7938 11 K 4.1663 8.5397 121.4139 55.5659 33.8288 176.1158 12 P 4.6947 0.0000 0.0000 62.7584 32.5367 175.7070 13 V 5.0372 8.7620 115.9165 60.1707 36.7096 173.6513 14 A 4.8577 8.9550 125.1221 51.0835 23.2406 175.1186 15 H 4.9067 9.4172 122.2544 55.0314 32.1116 172.2742 16 V 4.8056 8.6921 119.0525 59.6188 34.4072 175.3911 17 V 5.4104 8.6166 115.2953 59.2626 35.7554 175.0464 18 A 4.2300 8.5890 124.2929 51.7533 18.9582 177.1188 19 N 4.4186 8.4747 121.7784 53.7932 38.9254 174.9079 20 H 4.4455 8.8937 121.2772 56.8836 29.6295 176.4965 21 Q 3.9128 8.2117 119.7959 57.8709 28.6469 176.4616 22 V 4.2645 7.3550 111.0130 59.2737 32.6039 175.4934 23 E 4.2946 8.5560 124.5994 57.1565 30.0899 177.2300 24 E 4.1973 8.8921 118.0274 57.1077 27.1038 174.4300 25 Q 4.4465 7.7320 116.0950 54.1122 32.6917 174.7492 26 L 4.1180 8.2980 123.1124 53.1980 42.3457 174.7505 27 E 4.5685 7.7196 127.0532 53.7580 32.1891 174.6840 28 W 5.2316 9.1037 128.0372 56.6748 30.1294 175.9880 29 L 5.0760 9.4935 123.8128 53.1852 44.8074 177.3945 30 S 4.5485 8.8320 114.9080 59.0000 65.2114 174.9786 31 Q 4.4030 7.8406 121.8374 54.4673 27.3167 175.0108 32 R 4.6771 7.2491 117.2666 54.0271 34.9871 175.1701 33 A 4.1648 8.4170 123.2864 53.7261 18.8414 177.3563 34 N 4.2492 8.9589 117.4280 53.9595 35.9896 173.7369 35 A 5.1216 7.6134 118.5171 50.4845 21.9912 176.6569 36 L 4.6647 8.8980 117.8576 53.7719 46.8432 175.8860 37 L 4.6114 8.2649 119.8583 54.8188 43.5986 172.9789 38 A 4.6234 9.0605 127.4328 49.7434 24.1416 174.7748 39 N 4.1145 9.9747 112.4444 55.0444 36.1946 176.3233 40 G 4.1775 8.5886 106.8434 45.9224 0.0000 175.1957 41 M 4.3754 7.8192 118.4869 55.6190 32.6154 175.4764 42 D 4.9285 8.6945 120.8409 52.2817 45.5261 173.9427 43 L 5.0979 8.4834 124.9755 53.2015 44.3690 175.6288 44 K 4.4910 8.9061 127.5093 56.0201 35.2217 175.6909 45 D 4.4819 9.6512 125.7883 55.6579 38.3338 173.6454 46 N 4.5278 8.6376 112.2772 54.1634 37.7339 172.8276 47 Q 5.0584 7.9822 114.7320 53.8898 32.9580 174.3503 48 L 4.7127 8.8226 122.7876 53.8099 43.4246 175.6767 49 V 4.6830 8.5692 124.6401 61.2127 33.6514 175.0162 50 V 4.2162 8.0746 121.4613 60.0531 32.5924 175.4432 51 P 4.4062 0.0000 0.0000 63.9264 31.9071 175.4357 52 A 4.5763 7.2688 119.5966 51.2100 22.3467 175.7444 53 D 4.7417 8.6900 119.8530 53.7532 41.6243 177.0712 54 G 4.0884 7.9604 110.2901 44.6930 0.0000 170.9400 55 L 4.9810 7.5153 119.3574 54.2210 43.2535 176.0940 56 Y 5.1849 9.0860 120.2648 56.2095 42.7604 173.9778 57 L 4.8405 9.1929 126.5635 54.4570 43.7402 175.3922 58 V 5.0756 9.2207 126.6122 61.3487 34.6345 173.7770 59 Y 5.3614 8.4924 124.5816 56.4117 41.9634 173.4220 60 S 4.9905 8.5847 112.6962 57.5848 66.5782 173.4099 61 Q 4.9312 8.4771 126.2407 54.3832 32.3823 174.2703 62 V 4.6469 8.4586 117.4745 59.3430 36.4816 174.1185 63 L 5.0038 8.0163 123.6677 53.4138 45.0903 175.1507 64 F 5.5241 9.2700 124.8192 56.0015 42.1511 174.5532 65 K 4.1598 9.0924 122.0183 54.8214 35.2862 175.4877 66 G 3.2065 6.2600 112.0575 44.3169 0.0000 171.5541 67 Q 4.3123 8.5256 123.4289 54.8583 28.7762 176.4837 68 G 4.1029 8.5866 116.4572 44.8223 0.0000 171.0977 69 C 5.1322 8.1873 112.6680 53.9073 40.3113 172.8912 70 P 4.1863 0.0000 0.0000 65.4773 31.4465 176.8889 71 D 5.3345 7.4700 114.3138 52.8069 41.9492 174.1919 72 Y 3.8636 8.3695 121.0540 57.9192 39.2399 175.4687 *74 V 4.0957 8.0129 118.5165 61.0426 32.7676 174.3687 75 L 4.2534 8.0537 125.3421 53.2379 43.7854 175.1135 76 L 4.6050 8.5969 127.5720 53.2156 43.5702 175.9155 77 T 5.2159 9.0124 113.1424 60.2219 72.8014 172.3095 78 H 5.3130 9.0000 121.8517 55.1243 33.6291 172.2110 79 T 5.0463 9.2962 121.6498 61.9821 73.3878 172.7505 80 V 4.6321 8.8949 126.6338 61.2049 33.5009 174.7217 81 S 5.1227 8.9270 122.2860 56.4230 66.8045 172.6287 82 R 4.8885 9.0485 120.9721 54.4947 32.7617 174.1074 83 F 5.1051 9.3262 129.2517 56.2012 41.1756 174.0160 84 A 4.4269 7.8158 129.7248 51.4171 18.4816 178.1490 85 I 3.5110 8.3526 124.0954 63.9302 38.0450 177.2349 86 S 4.3206 7.6671 114.4744 60.9181 63.8012 174.7242 87 Y 4.0034 8.1816 119.7691 60.4742 37.7145 178.7346 88 Q 3.6943 8.7499 115.3107 55.7592 26.6929 172.7321 89 E 4.8907 7.4191 116.1920 54.4641 33.8964 173.4153 90 K 4.8710 9.3931 126.4228 55.3432 33.3469 175.8913 91 V 4.5010 8.6539 127.4224 60.9896 34.7840 174.0469 92 N 4.7359 8.7202 124.4213 53.3035 38.7334 174.7760 93 L 4.2934 8.8443 123.6679 56.0956 43.3237 177.2803 94 L 4.8824 7.4111 116.8506 53.4005 46.1609 175.4243 95 S 5.1093 8.5716 114.9765 57.7189 65.4868 173.1003 96 A 4.8131 8.7365 125.6083 50.8856 22.9380 175.2139 97 V 4.9246 8.2418 117.8558 61.3043 35.2089 174.9046 98 K 4.6732 9.1307 124.4740 54.8646 36.9171 175.5916 99 S 4.7169 8.4014 118.5730 55.7528 63.1520 171.8873 100 P 3.8651 0.0000 0.0000 64.5606 31.4459 177.8209 101 C 4.6064 6.9330 116.3051 53.8578 40.1066 171.6791 102 P 4.4426 0.0000 0.0000 64.5048 31.3864 176.8584 103 K 4.7001 7.4877 114.3746 55.0775 36.4645 176.0228 104 D 5.1494 8.3841 119.7118 53.8821 39.9007 177.7455 105 T 3.9592 8.1547 119.4620 67.3138 70.9021 174.7201 106 P 3.3345 0.0000 0.0000 62.7178 32.0464 176.7165 107 E 3.9778 10.4840 121.7339 58.1740 27.1572 174.7886 108 G 3.9234 8.2403 106.0890 45.3916 0.0000 173.0300 109 A 4.2153 7.0063 121.2618 51.5077 19.0669 176.0790 110 E 4.0888 8.4883 119.5716 56.2640 30.0223 176.9882 111 L 4.4453 8.2578 126.7679 53.5801 40.9997 175.2329 112 K 4.5739 8.1122 122.9632 54.4435 33.8545 174.5417 113 P 4.8092 0.0000 0.0000 62.5831 32.2506 175.4204 114 W 5.1847 8.2737 118.6324 55.0899 31.5428 173.8267 115 Y 5.4218 8.9496 117.5788 56.6568 41.5919 174.9743 116 E 4.8764 9.8577 122.9547 54.6706 33.6398 172.8121 117 P 5.3513 0.0000 0.0000 61.7505 33.8828 175.1628 118 I 4.8373 8.7492 121.1665 59.8925 41.3967 173.5514 119 Y 5.1667 8.8933 127.0664 55.7851 41.2944 174.5366 120 L 4.9313 7.9352 125.4161 53.0884 46.1418 175.7812 121 G 4.4256 8.5381 105.0918 45.9471 0.0000 172.6219 122 G 4.1631 9.0096 110.1136 45.6774 0.0000 171.9441 123 V 4.8940 7.8950 120.0004 61.2147 33.1359 174.9727 124 F 4.9392 9.1641 125.1409 55.7829 43.8020 173.4028 125 Q 4.8184 8.9192 123.4847 55.5545 29.6075 174.7256 126 L 5.0024 9.4735 126.2427 53.0787 46.0093 175.2833 127 E 5.1326 9.4268 119.8989 54.0486 32.5815 175.8996 128 K 3.8873 9.0529 123.8196 58.5248 32.4807 177.4404 129 G 4.0154 8.9890 114.6671 45.2022 0.0000 173.4353 130 D 4.6213 8.0436 120.5183 54.7580 42.2890 175.3150 131 Q 5.0763 9.0551 121.5219 54.2435 31.3605 174.4195 132 L 5.3520 9.2415 124.7182 52.9951 44.2926 175.7207 133 S 5.1058 8.9075 117.3437 56.3734 66.5834 172.9749 134 A 4.6828 8.2431 122.7219 50.3092 20.7907 174.8991 135 E 4.8994 9.2239 120.5237 55.3974 34.5171 175.2714 136 V 5.2775 8.4643 112.8700 58.5521 34.9519 175.9561 137 N 4.4716 8.4426 119.4951 55.2818 38.2926 175.4385 138 L 4.7821 7.8487 119.7793 51.3257 42.3219 174.8544 139 P 4.5586 0.0000 0.0000 64.5012 31.7139 179.5422 140 K 3.9601 8.0275 118.0104 59.1810 32.2012 176.9828 141 Y 4.3967 7.8610 114.5343 57.6441 38.3497 175.5360 142 L 4.2589 7.6763 121.0745 54.5406 42.1596 175.9962 143 D 4.4285 8.3352 121.9359 52.6805 42.6489 175.4572 144 F 5.0153 8.0645 123.4020 57.1168 39.9721 176.0352 145 A 4.1887 8.1471 125.5128 54.9002 18.0659 178.1414 146 E 4.8182 8.0183 111.8673 54.3766 32.5286 176.0667 147 S 4.3904 8.3794 116.5580 59.6061 63.6128 175.1494 148 G 4.1260 8.9973 110.1336 46.0265 0.0000 174.2731 149 Q 4.4160 8.1324 118.2582 56.8052 30.0116 176.0016 150 V 4.7811 7.8433 117.6959 61.2445 34.6270 174.1012 151 Y 5.6810 8.8264 124.9125 56.4494 42.3156 173.6057 152 F 4.9907 8.9549 122.1845 57.0382 42.7912 173.1963 153 G 3.6853 8.7314 112.9832 44.1350 0.0000 171.5959 154 V 4.8883 8.2897 121.3091 61.0146 35.1162 173.8312 155 I 5.1280 9.3050 121.4537 58.8270 40.5362 174.6295 156 A 3.9742 9.0490 129.5570 51.6909 18.9683 177.2825 157 L 4.2142 8.2644 121.8454 54.8010 41.4880 176.7789 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 9 S 8.32 4.40 0.00 3.84 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 10 D 7.77 4.92 0.00 2.88 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 11 K 8.54 4.17 0.00 1.76 1.76 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.37 7.81 12 P 0.00 4.69 0.00 2.27 2.08 0.00 3.85 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 2.21 2.20 0.00 13 V 8.76 5.04 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 0.71 0.00 0.00 0.98 0.00 0.00 14 A 8.96 4.86 0.99 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 15 H 9.42 4.91 0.00 3.26 3.17 0.00 5.76 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 8.69 4.81 2.28 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 0.57 0.00 0.00 0.62 0.00 0.00 17 V 8.62 5.41 2.28 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 0.89 0.00 0.00 1.03 0.00 0.00 18 A 8.59 4.23 0.77 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 19 N 8.47 4.42 0.00 2.63 2.46 0.00 0.00 7.17 7.52 0.00 0.00 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 H 8.89 4.45 0.00 3.41 3.41 0.00 5.58 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 Q 8.21 3.91 0.00 2.04 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.73 0.00 0.00 0.00 0.00 0.00 2.18 1.99 0.00 22 V 7.36 4.26 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 0.70 0.00 0.00 0.84 0.00 0.00 23 E 8.56 4.29 0.00 1.98 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 2.40 2.26 0.00 24 E 8.89 4.20 0.00 2.09 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 2.15 2.20 0.00 25 Q 7.73 4.45 0.00 1.79 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.85 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 26 L 8.30 4.12 0.00 1.40 1.37 -0.18 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.72 4.57 0.00 1.89 1.55 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 2.19 2.23 0.00 28 W 9.10 5.23 0.00 3.29 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 29 L 9.49 5.08 0.00 1.58 1.55 0.92 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.83 4.55 0.00 3.96 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 31 Q 7.84 4.40 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.33 0.00 32 R 7.25 4.68 0.00 1.82 1.79 0.00 3.32 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 33 A 8.42 4.16 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 34 N 8.96 4.25 0.00 2.91 2.94 0.00 0.00 6.79 7.35 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 35 A 7.61 5.12 1.35 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 0.00 0.00 0.00 36 L 8.90 4.66 0.00 1.60 1.50 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.26 4.61 0.00 1.55 1.52 0.84 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 38 A 9.06 4.62 1.19 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 0.00 0.00 39 N 9.97 4.11 0.00 2.97 3.05 0.00 0.00 6.96 8.04 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 40 G 8.59 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 0.00 0.00 0.00 0.00 41 M 7.82 4.38 0.00 1.83 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 42 D 8.69 4.93 0.00 2.72 2.42 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 43 L 8.48 5.10 0.00 1.61 1.52 1.06 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 44 K 8.91 4.49 0.00 1.75 1.58 0.00 1.84 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.33 1.40 7.81 45 D 9.65 4.48 0.00 2.84 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 46 N 8.64 4.53 0.00 2.89 3.01 0.00 0.00 7.02 7.08 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 47 Q 7.98 5.06 0.00 2.19 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.33 6.66 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 48 L 8.82 4.71 0.00 1.21 1.26 -0.50 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 49 V 8.57 4.68 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 1.01 0.00 0.00 0.93 0.00 0.00 50 V 8.07 4.22 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.13 0.00 0.00 0.78 0.00 0.00 51 P 0.00 4.41 0.00 2.21 2.37 0.00 3.90 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.02 0.00 52 A 7.27 4.58 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 53 D 8.69 4.74 0.00 2.71 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.96 4.09 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 0.00 0.00 0.00 55 L 7.52 4.98 0.00 1.51 1.55 0.89 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 56 Y 9.09 5.18 0.00 2.97 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 57 L 9.19 4.84 0.00 1.85 1.69 1.10 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 58 V 9.22 5.08 2.35 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 1.11 0.00 0.00 1.11 0.00 0.00 59 Y 8.49 5.36 0.00 3.14 3.14 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 0.00 0.00 0.00 60 S 8.58 4.99 0.00 3.72 3.53 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 61 Q 8.48 4.93 0.00 1.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.48 0.00 0.00 0.00 0.00 0.00 2.19 2.48 0.00 62 V 8.46 4.65 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 0.33 0.00 0.00 0.38 0.00 0.00 63 L 8.02 5.00 0.00 1.74 1.45 1.07 1.07 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 64 F 9.27 5.52 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 65 K 9.09 4.16 0.00 1.13 1.20 0.00 1.48 0.00 0.00 1.39 0.00 0.00 2.64 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.55 0.21 7.81 66 G 6.26 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 0.00 0.00 0.00 67 Q 8.53 4.31 0.00 1.91 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 5.90 0.00 0.00 0.00 0.00 0.00 2.21 2.37 0.00 68 G 8.59 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 0.00 0.00 0.00 69 C 8.19 5.13 0.00 2.99 2.99 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 70 P 0.00 4.19 0.00 2.22 2.23 0.00 4.08 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 2.04 0.00 71 D 7.47 5.33 0.00 2.80 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 72 Y 8.37 3.86 0.00 3.00 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 *74 V 8.01 4.10 1.63 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 1.10 0.00 0.00 0.38 0.00 0.00 75 L 8.05 4.25 0.00 1.50 1.44 0.83 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 76 L 8.60 4.61 0.00 1.17 0.46 0.41 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 77 T 9.01 5.22 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 1.19 0.00 0.00 78 H 9.00 5.31 0.00 3.36 3.21 0.00 5.56 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 T 9.30 5.05 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 1.24 0.00 0.00 80 V 8.89 4.63 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 0.88 0.00 0.00 0.70 0.00 0.00 81 S 8.93 5.12 0.00 3.97 4.02 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 82 R 9.05 4.89 0.00 1.64 1.64 0.00 2.90 0.00 0.00 2.93 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.42 0.00 83 F 9.33 5.11 0.00 3.12 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 84 A 7.82 4.43 1.04 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 85 I 8.35 3.51 2.05 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 1.37 0.90 1.03 0.00 0.00 86 S 7.67 4.32 0.00 4.05 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 87 Y 8.18 4.00 0.00 2.73 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 88 Q 8.75 3.69 0.00 2.16 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.43 0.00 89 E 7.42 4.89 0.00 2.08 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 0.00 2.31 2.39 0.00 90 K 9.39 4.87 0.00 2.00 1.80 0.00 1.82 0.00 0.00 1.64 0.00 0.00 2.70 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.43 1.45 7.81 91 V 8.65 4.50 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 0.86 0.00 0.00 0.85 0.00 0.00 92 N 8.72 4.74 0.00 2.63 2.70 0.00 0.00 6.94 7.85 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 93 L 8.84 4.29 0.00 1.15 0.65 0.25 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 94 L 7.41 4.88 0.00 1.49 1.51 1.09 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 95 S 8.57 5.11 0.00 3.83 3.68 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 0.00 0.00 0.00 0.00 96 A 8.74 4.81 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 97 V 8.24 4.92 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 0.83 0.00 0.00 0.93 0.00 0.00 98 K 9.13 4.67 0.00 1.58 1.47 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.41 7.81 99 S 8.40 4.72 0.00 3.61 3.68 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 0.00 0.00 0.00 0.00 100 P 0.00 3.87 0.00 0.49 1.01 0.00 3.27 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.63 0.00 101 C 6.93 4.61 0.00 2.65 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 0.00 102 P 0.00 4.44 0.00 2.02 2.10 0.00 3.52 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 1.97 2.01 0.00 103 K 7.49 4.70 0.00 1.80 1.73 0.00 1.57 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.29 1.52 7.81 104 D 8.38 5.15 0.00 2.75 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 0.00 105 T 8.15 3.96 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 1.23 0.00 0.00 106 P 0.00 3.33 0.00 2.22 1.75 0.00 3.77 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 2.15 2.20 0.00 107 E 10.48 3.98 0.00 2.12 2.01 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 2.22 2.30 0.00 108 G 8.24 3.92 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 0.00 109 A 7.01 4.22 1.34 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 0.00 0.00 110 E 8.49 4.09 0.00 1.94 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 2.31 2.41 0.00 111 L 8.26 4.45 0.00 1.68 1.64 0.93 0.97 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 0.00 112 K 8.11 4.57 0.00 1.78 1.78 0.00 1.71 0.00 0.00 1.90 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.53 1.47 7.81 113 P 0.00 4.81 0.00 1.90 1.89 0.00 3.74 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.00 0.00 114 W 8.27 5.18 0.00 3.37 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 0.00 115 Y 8.95 5.42 0.00 2.88 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 0.00 116 E 9.86 4.88 0.00 2.20 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 2.45 2.23 0.00 117 P 0.00 5.35 0.00 2.17 2.13 0.00 3.84 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.08 0.00 118 I 8.75 4.84 2.01 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.27 1.06 0.00 0.00 119 Y 8.89 5.17 0.00 3.03 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 0.00 120 L 7.94 4.93 0.00 1.41 1.44 0.71 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 121 G 8.54 4.43 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 0.00 122 G 9.01 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 0.00 0.00 0.00 123 V 7.89 4.89 1.93 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 0.80 0.00 0.00 0.91 0.00 0.00 124 F 9.16 4.94 0.00 3.03 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 0.00 125 Q 8.92 4.82 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 126 L 9.47 5.00 0.00 1.60 1.56 0.67 0.68 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 0.00 127 E 9.43 5.13 0.00 2.02 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 2.28 2.25 0.00 128 K 9.05 3.89 0.00 1.71 1.77 0.00 1.85 0.00 0.00 1.73 0.00 0.00 3.17 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.54 7.81 129 G 8.99 4.02 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 0.00 0.00 0.00 130 D 8.04 4.62 0.00 2.59 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 0.00 131 Q 9.06 5.08 0.00 2.16 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.33 2.58 0.00 132 L 9.24 5.35 0.00 1.63 1.71 0.75 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.91 5.11 0.00 3.88 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 0.00 134 A 8.24 4.68 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 9.22 4.90 0.00 1.86 1.83 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 2.22 2.41 0.00 136 V 8.46 5.28 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 1.02 0.00 0.00 1.09 0.00 0.00 137 N 8.44 4.47 0.00 2.75 2.97 0.00 0.00 6.71 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 L 7.85 4.78 0.00 1.86 1.87 0.98 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 139 P 0.00 4.56 0.00 2.30 2.34 0.00 3.83 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.01 0.00 140 K 8.03 3.96 0.00 1.43 1.52 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.37 7.81 141 Y 7.86 4.40 0.00 3.28 3.18 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 0.00 142 L 7.68 4.26 0.00 1.43 1.13 0.98 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 143 D 8.34 4.43 0.00 2.42 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 0.00 144 F 8.06 5.02 0.00 3.12 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 0.00 145 A 8.15 4.19 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 0.00 146 E 8.02 4.82 0.00 1.99 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 2.24 2.25 0.00 147 S 8.38 4.39 0.00 3.90 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 0.00 148 G 9.00 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 0.00 149 Q 8.13 4.42 0.00 2.20 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.67 0.00 0.00 0.00 0.00 0.00 2.41 2.44 0.00 150 V 7.84 4.78 2.28 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 1.15 0.00 0.00 1.12 0.00 0.00 151 Y 8.83 5.68 0.00 3.10 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 0.00 152 F 8.95 4.99 0.00 1.51 1.45 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 0.00 0.00 0.00 0.00 153 G 8.73 3.69 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 0.00 0.00 0.00 154 V 8.29 4.89 1.78 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 0.83 0.00 0.00 0.50 0.00 0.00 155 I 9.30 5.13 1.95 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 1.30 1.25 1.08 0.00 0.00 156 A 9.05 3.97 1.07 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 0.00 0.00 157 L 8.26 4.21 0.00 1.42 1.53 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.