NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9715 8.3549 109.7372 45.8202 0.0000 172.9522 2 S 4.3842 7.5610 116.2119 55.9138 66.6273 172.2475 3 S 4.5001 7.8374 115.7017 57.4047 65.2991 175.8482 4 G 4.6615 8.3679 120.8035 45.9900 0.0000 172.1027 5 S 4.7942 7.7651 120.4244 57.9251 64.8348 176.1301 6 S 4.5291 8.2951 119.4049 58.1644 64.6259 174.4862 7 G 3.9831 8.7489 106.7071 42.6817 0.0000 171.9229 8 P 4.4800 0.0000 0.0000 61.5301 32.1698 175.0059 9 P 4.1918 0.0000 0.0000 63.4753 31.6773 173.9829 10 K 3.7108 8.2523 121.2141 56.5288 28.4162 174.0982 11 S 4.5938 7.8439 117.6935 58.0122 67.2227 172.9767 12 Q 4.7202 8.4640 121.2641 54.0073 31.2823 173.2959 13 P 4.5646 0.0000 0.0000 64.0821 31.7227 177.9828 14 V 3.2513 9.5560 113.7443 62.3121 28.0284 175.3403 15 S 4.4502 8.5229 125.0197 60.6370 62.8648 174.2905 16 L 4.9972 7.4385 119.2887 52.3145 42.5230 175.0816 17 P 2.9700 0.0000 0.0000 63.7545 31.1981 178.1722 18 E 3.7282 7.3459 119.3469 59.6335 29.3879 178.4029 19 E 3.9142 8.1131 117.9946 59.8431 29.2635 179.4241 20 L 3.7667 7.1891 116.8222 57.9579 42.1778 178.7123 21 N 4.4051 8.5801 116.8942 55.8891 38.1627 177.5849 22 R 3.9813 7.4968 119.1228 58.4912 30.4174 177.8647 23 V 5.0341 7.3490 109.7111 60.6712 32.9347 176.2990 24 R 4.7922 7.7092 123.4055 54.5839 28.8855 175.5757 25 L 4.0890 8.5930 125.9618 54.3380 43.2806 176.8318 26 S 4.5132 7.8890 113.3636 55.5351 66.0088 174.8832 27 R 3.8175 8.0238 122.1800 60.7264 29.6609 177.6933 28 H 4.2616 8.3372 115.0480 58.6442 28.2073 177.2139 29 K 3.3564 7.9219 119.4066 59.6701 31.9298 179.4411 30 L 4.2161 7.9422 119.1438 57.8824 41.4105 179.1647 31 E 4.0653 8.8048 118.8703 58.8369 29.6434 178.7355 32 R 4.2753 8.1526 118.4322 58.7050 30.7053 178.8118 33 W 4.3032 9.4131 118.7019 59.1357 28.8163 177.7996 34 C 2.9773 8.5054 118.6302 60.6895 30.9143 173.3284 35 H 4.6944 7.6980 113.9277 55.5327 28.6339 173.8875 36 M 4.3488 7.6740 120.2706 53.1272 33.8709 174.6804 37 P 4.3228 0.0000 0.0000 65.8931 32.0296 177.9739 38 F 4.5827 7.0168 114.7418 56.2416 37.4768 176.3158 39 F 4.5891 7.4913 124.1783 61.1279 39.4390 175.2322 40 A 3.7633 8.1799 119.1226 55.1395 18.2882 179.1960 41 K 3.8260 8.1049 116.1496 60.9214 32.3043 178.2401 42 T 4.0284 7.7948 114.7950 65.3278 68.5819 176.8047 43 V 3.9334 8.7983 114.8056 64.0504 31.8843 176.2292 44 T 4.2629 8.0693 116.5099 67.3204 67.6767 174.4731 45 G 4.0098 8.2066 115.0678 45.7250 0.0000 172.8792 46 C 4.8616 8.0946 118.1430 59.0586 30.6095 171.8509 47 F 5.0447 8.7286 117.3700 56.8898 42.7159 174.5166 48 V 4.7688 8.5838 114.6826 59.5896 36.4715 174.4890 49 R 4.8616 8.3882 122.5862 55.1352 31.5874 174.5853 50 I 4.4139 8.3736 127.1910 59.5114 40.1816 175.0348 51 G 4.2618 7.6570 118.1326 44.5272 0.0000 172.9107 52 I 3.8816 7.6866 118.2214 64.2876 38.0726 176.5000 53 G 3.9519 7.1248 106.0782 45.8744 0.0000 169.5939 54 N 4.6386 8.8854 116.4994 54.9154 45.7800 176.5291 55 H 3.9791 8.0348 116.0712 55.7547 29.7864 173.6390 56 N 4.7817 8.7662 116.0516 51.6745 37.4545 175.6847 57 S 5.6486 6.9377 126.0652 58.4571 63.1356 177.0584 58 K 4.6271 7.2851 120.5685 54.2024 35.3147 174.3797 59 P 4.6545 0.0000 0.0000 62.8156 33.1700 175.3460 60 V 4.5570 7.6058 118.1487 61.9434 34.7826 172.7469 61 Y 5.1990 8.4296 123.1419 57.2894 42.2548 174.1760 62 R 4.8583 8.9300 119.4035 54.8293 35.1651 174.4694 63 V 4.2063 8.5297 122.3283 62.2442 32.4281 174.9727 64 A 4.7937 8.3700 127.0827 50.1415 23.1084 174.0847 65 E 4.0994 8.1198 120.1647 53.8292 32.0540 175.3167 66 I 4.1160 7.8411 129.0225 62.0988 37.5267 176.6542 67 T 4.2983 9.3315 117.8426 61.4052 70.3669 174.7697 68 G 4.3816 6.9028 108.4825 44.8915 0.0000 170.5758 69 V 4.8104 8.1960 118.3731 61.4695 33.8707 176.5471 70 V 4.5047 8.7941 122.1132 59.9173 34.7539 174.1649 71 E 5.1370 8.5107 118.6584 55.3647 31.7311 175.8890 72 T 4.4799 8.3431 115.4443 60.5757 70.7659 174.0633 73 A 4.4784 8.5841 122.4112 52.8062 20.4592 177.4247 74 K 4.4764 7.8321 113.9227 55.2928 33.6643 175.9161 75 V 4.5822 8.0753 121.8622 61.4491 33.8672 174.0990 76 Y 4.9763 7.6585 122.6688 55.0259 41.7612 174.3183 77 Q 4.5057 8.7799 121.3233 56.2068 30.1148 176.2229 78 L 4.6044 8.9784 125.5068 54.2191 42.9865 175.3357 79 G 3.7685 8.2992 108.0038 46.7461 0.0000 171.3178 80 G 4.1711 8.5718 110.8781 45.7148 0.0000 175.2467 81 T 4.2258 7.7177 113.7188 61.3266 69.1279 173.8683 82 R 5.3377 8.3426 126.0897 54.2895 31.7926 175.2339 83 T 4.4698 7.7735 118.3702 59.3836 71.2019 172.9097 84 N 4.9913 7.8514 119.3512 52.4115 37.2913 174.4764 85 K 4.8028 7.7358 118.9969 55.6199 34.7545 177.2938 86 G 3.9360 8.5581 113.6769 45.3690 0.0000 172.2597 87 L 4.4692 8.6180 126.7315 54.7004 42.8478 176.6876 88 Q 4.3425 9.0178 127.2734 55.9152 29.0931 174.8692 89 L 5.1391 8.5066 125.4972 53.1975 45.1842 175.8210 90 R 4.8628 8.2900 119.0884 55.3020 33.4010 173.6424 91 H 4.8708 9.9352 128.5844 55.3392 30.1244 177.3847 92 G 3.8367 9.0376 119.4989 46.7497 0.0000 171.8998 93 N 4.8289 9.3406 118.3030 52.6985 39.4733 172.3578 94 D 4.9100 8.0349 116.5527 52.2933 43.6806 174.9856 95 Q 4.7956 8.4490 126.9242 55.8818 30.7623 173.7701 96 R 4.5461 8.9485 120.2468 56.0483 35.5718 174.5448 97 V 4.3682 7.7949 120.1123 63.0925 33.3089 172.9833 98 F 5.0612 9.0165 128.5772 55.9328 42.3998 174.8104 99 R 4.6791 8.4598 116.5978 54.5235 33.1758 177.6861 100 L 4.0098 8.0648 119.8016 57.8791 41.9214 179.6119 101 E 3.9454 7.8992 115.3422 59.4580 29.2243 178.3534 102 F 4.5512 7.4118 118.1881 59.7249 39.1814 174.5560 103 V 3.9112 7.5423 119.8673 62.9287 28.7100 175.5252 104 S 4.4546 9.0696 123.7909 58.2516 63.5736 173.2973 105 N 5.1135 8.0813 114.0897 51.8602 36.8589 172.8667 106 Q 4.4950 7.1417 117.9738 54.1181 33.3637 175.4408 107 E 3.9263 8.3447 119.4382 55.8442 29.8599 176.2960 108 F 4.3045 9.5481 124.6304 57.7454 39.0704 175.4774 109 T 3.9903 8.5119 116.1227 61.6139 68.8756 174.8553 110 E 4.0767 8.9506 123.4471 59.9872 28.9214 179.0722 111 S 4.3298 8.2155 115.1321 60.7324 62.6287 175.7441 112 E 4.0679 8.1595 120.7894 59.8129 29.4678 179.2974 113 F 4.5347 8.4400 120.2128 62.1888 39.3618 177.3511 114 M 3.7416 7.8528 116.4485 58.0587 31.5022 178.9102 115 K 3.8990 8.9508 118.3688 59.2284 32.5608 178.9093 116 W 4.2679 9.4883 129.0928 60.3698 30.4780 177.8353 117 K 2.7082 7.9478 118.8248 59.2553 31.2537 178.5513 118 E 3.9312 7.7932 118.3233 59.6577 29.4451 179.3549 119 A 3.7573 7.6975 120.1997 55.6374 18.3043 179.6661 120 M 3.9043 7.3460 116.4488 58.4722 31.9673 178.8601 121 F 3.9397 9.2380 119.1069 60.0600 38.7556 177.8867 122 S 4.0391 8.7897 113.4339 61.1802 62.4248 175.5817 123 A 4.2172 7.9967 121.0849 52.4978 18.3275 178.3639 124 G 3.7318 7.2577 104.5559 45.8508 0.0000 173.8560 125 M 4.3017 7.8290 119.1398 54.9962 32.6618 175.5099 126 Q 4.5557 8.1792 118.4215 54.3790 31.2051 175.9480 127 L 4.9012 7.9920 120.6913 52.8663 44.5017 173.8850 128 P 4.7418 0.0000 0.0000 63.3296 32.6880 175.8864 129 T 4.5846 8.6634 114.3735 61.0820 70.0072 175.5357 130 L 4.1237 9.0729 125.3685 58.2747 41.6072 179.7909 131 D 4.2849 8.0375 117.2621 57.4325 40.9080 177.9405 132 E 4.0128 7.7040 118.2290 59.3828 29.3900 179.1061 133 I 3.8169 8.2647 120.2556 64.8200 37.1563 177.6268 134 N 4.3817 8.2368 117.4256 56.4276 38.6070 176.5507 135 K 4.0441 8.3102 119.9205 59.7396 32.5472 178.5861 136 K 4.0059 9.2734 119.8929 59.5591 32.1841 177.8452 137 E 4.1313 8.8537 119.8930 59.8545 29.5999 178.9495 138 L 3.9707 8.7672 119.6001 58.1327 41.6329 179.7597 139 S 4.0559 8.9023 114.0328 61.0232 62.3421 176.1221 140 I 3.6908 8.2696 122.8991 64.5623 36.6884 178.0752 141 K 3.9476 8.0931 117.3647 59.5594 31.9753 178.2949 142 E 3.9848 7.8681 117.6891 59.7458 29.6270 178.9943 143 A 3.6242 7.4711 119.0969 52.6251 18.3470 178.1451 144 S 4.4075 7.4551 111.2867 58.0866 66.6139 176.3708 145 G 4.2102 8.7023 114.8450 43.0122 0.0000 169.6572 146 P 4.3740 0.0000 0.0000 65.1534 31.8640 176.2346 147 S 4.5785 7.4471 110.7112 56.8328 65.1100 174.1895 148 S 4.3704 8.9847 120.1919 59.6185 63.2966 174.8850 149 G 3.6175 7.9651 111.9574 46.0865 0.0000 171.9428 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 G 8.35 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 2 S 7.56 4.38 0.00 3.91 3.73 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 3 S 7.84 4.50 0.00 3.92 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 4 G 8.37 4.66 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 0.00 0.00 0.00 5 S 7.77 4.79 0.00 3.83 3.73 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 6 S 8.30 4.53 0.00 3.96 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 7 G 8.75 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 8 P 0.00 4.48 0.00 2.19 2.06 0.00 3.77 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 1.98 1.95 0.00 9 P 0.00 4.19 0.00 2.22 2.24 0.00 3.91 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 2.00 2.00 0.00 10 K 8.25 3.71 0.00 1.94 1.92 0.00 1.79 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.44 7.81 11 S 7.84 4.59 0.00 3.73 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 12 Q 8.46 4.72 0.00 2.13 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 7.14 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 13 P 0.00 4.56 0.00 2.18 2.12 0.00 3.85 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 1.99 1.97 0.00 14 V 9.56 3.25 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 0.82 0.00 0.00 1.35 0.00 0.00 15 S 8.52 4.45 0.00 3.90 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 0.00 16 L 7.44 5.00 0.00 1.83 1.73 0.88 0.80 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 17 P 0.00 2.97 0.00 2.17 1.72 0.00 3.55 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 1.95 2.06 0.00 18 E 7.35 3.73 0.00 1.78 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 2.23 2.27 0.00 19 E 8.11 3.91 0.00 1.92 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 2.38 2.34 0.00 20 L 7.19 3.77 0.00 1.52 1.52 -0.66 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.58 4.41 0.00 2.81 2.74 0.00 0.00 6.85 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 22 R 7.50 3.98 0.00 1.87 1.99 0.00 3.11 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 23 V 7.35 5.03 2.25 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 1.09 0.00 0.00 1.03 0.00 0.00 24 R 7.71 4.79 0.00 1.77 1.74 0.00 2.58 0.00 0.00 2.62 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.50 0.00 25 L 8.59 4.09 0.00 1.65 1.50 0.89 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 26 S 7.89 4.51 0.00 3.82 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 27 R 8.02 3.82 0.00 1.99 1.97 0.00 3.26 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 28 H 8.34 4.26 0.00 3.09 3.22 0.00 5.71 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 29 K 7.92 3.36 0.00 1.06 0.74 0.00 1.50 0.00 0.00 1.75 0.00 0.00 2.74 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.30 7.81 30 L 7.94 4.22 0.00 1.72 1.85 0.90 0.81 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 31 E 8.80 4.07 0.00 1.90 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 2.29 2.53 0.00 32 R 8.15 4.28 0.00 2.21 2.10 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.67 0.00 33 W 9.41 4.30 0.00 3.70 3.38 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 34 C 8.51 2.98 0.00 2.56 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 35 H 7.70 4.69 0.00 3.15 3.29 0.00 5.79 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 M 7.67 4.35 0.00 0.66 1.70 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.48 0.00 37 P 0.00 4.32 0.00 2.23 2.16 0.00 2.87 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.95 0.00 38 F 7.02 4.58 0.00 3.18 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 39 F 7.49 4.59 0.00 3.36 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 40 A 8.18 3.76 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 K 8.10 3.83 0.00 1.83 1.94 0.00 1.82 0.00 0.00 1.76 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 42 T 7.79 4.03 4.53 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 1.11 0.00 0.00 43 V 8.80 3.93 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 0.23 0.00 0.00 0.57 0.00 0.00 44 T 8.07 4.26 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 45 G 8.21 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 46 C 8.09 4.86 0.00 3.16 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 47 F 8.73 5.04 0.00 3.21 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 48 V 8.58 4.77 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 0.79 0.00 0.00 0.92 0.00 0.00 49 R 8.39 4.86 0.00 1.69 1.73 0.00 3.17 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 50 I 8.37 4.41 1.44 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 -0.30 0.77 0.64 0.00 0.00 51 G 7.66 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 0.00 0.00 0.00 0.00 52 I 7.69 3.88 1.84 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 1.24 0.85 0.88 0.00 0.00 53 G 7.12 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 54 N 8.89 4.64 0.00 2.54 2.73 0.00 0.00 6.76 7.92 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 55 H 8.03 3.98 0.00 3.25 3.28 0.00 5.76 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 N 8.77 4.78 0.00 2.58 2.69 0.00 0.00 6.69 7.54 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 57 S 6.94 5.65 0.00 3.98 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 58 K 7.29 4.63 0.00 1.82 1.75 0.00 1.60 0.00 0.00 1.78 0.00 0.00 3.00 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.34 7.81 59 P 0.00 4.65 0.00 2.32 2.23 0.00 3.80 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 2.10 2.05 0.00 60 V 7.61 4.56 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 0.91 0.00 0.00 0.86 0.00 0.00 61 Y 8.43 5.20 0.00 3.06 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 62 R 8.93 4.86 0.00 1.71 1.91 0.00 3.40 0.00 0.00 3.16 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 63 V 8.53 4.21 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 -0.73 0.00 0.00 0.48 0.00 0.00 64 A 8.37 4.79 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 65 E 8.12 4.10 0.00 1.51 1.62 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 1.82 1.47 0.00 66 I 7.84 4.12 2.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.38 0.94 0.00 0.00 67 T 9.33 4.30 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 68 G 6.90 4.38 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 0.00 69 V 8.20 4.81 2.19 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 1.19 0.00 0.00 0.88 0.00 0.00 70 V 8.79 4.50 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 0.82 0.00 0.00 1.04 0.00 0.00 71 E 8.51 5.14 0.00 1.92 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 2.18 2.29 0.00 72 T 8.34 4.48 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 1.28 0.00 0.00 73 A 8.58 4.48 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 74 K 7.83 4.48 0.00 1.80 1.79 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.43 7.81 75 V 8.08 4.58 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 0.69 0.00 0.00 0.83 0.00 0.00 76 Y 7.66 4.98 0.00 3.14 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 77 Q 8.78 4.51 0.00 2.11 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.29 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 78 L 8.98 4.60 0.00 1.70 1.65 0.97 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 79 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 80 G 8.57 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 81 T 7.72 4.23 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 1.25 0.00 0.00 82 R 8.34 5.34 0.00 1.62 1.71 0.00 3.20 0.00 0.00 3.77 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.38 0.00 83 T 7.77 4.47 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 84 N 7.85 4.99 0.00 2.68 2.77 0.00 0.00 5.91 6.56 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 85 K 7.74 4.80 0.00 1.59 1.94 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.16 0.00 0.00 2.48 0.00 0.00 0.00 0.00 1.35 1.25 7.81 86 G 8.56 3.94 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 0.00 0.00 0.00 87 L 8.62 4.47 0.00 1.75 1.72 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 9.02 4.34 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.73 0.00 0.00 0.00 0.00 0.00 2.40 2.38 0.00 89 L 8.51 5.14 0.00 1.95 1.61 0.78 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 90 R 8.29 4.86 0.00 1.92 1.80 0.00 3.13 0.00 0.00 3.32 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.60 0.00 91 H 9.94 4.87 0.00 3.40 3.33 0.00 5.93 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 92 G 9.04 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 93 N 9.34 4.83 0.00 2.68 2.80 0.00 0.00 6.56 8.47 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 94 D 8.03 4.91 0.00 2.83 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 95 Q 8.45 4.80 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 6.47 0.00 0.00 0.00 0.00 0.00 2.33 2.64 0.00 96 R 8.95 4.55 0.00 2.02 1.82 0.00 3.50 0.00 0.00 3.37 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.59 0.00 97 V 7.79 4.37 2.03 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 0.73 0.00 0.00 0.96 0.00 0.00 98 F 9.02 5.06 0.00 3.14 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 99 R 8.46 4.68 0.00 0.67 0.66 0.00 2.82 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.82 0.00 100 L 8.06 4.01 0.00 1.98 1.78 1.17 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 101 E 7.90 3.95 0.00 1.99 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 0.00 1.47 1.47 0.00 102 F 7.41 4.55 0.00 3.20 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 0.00 103 V 7.54 3.91 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 0.69 0.00 0.00 0.99 0.00 0.00 104 S 9.07 4.45 0.00 4.06 3.73 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 0.00 105 N 8.08 5.11 0.00 2.71 2.71 0.00 0.00 5.72 7.41 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 0.00 106 Q 7.14 4.49 0.00 1.68 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.78 6.95 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 107 E 8.34 3.93 0.00 1.86 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 0.00 2.17 2.18 0.00 108 F 9.55 4.30 0.00 2.81 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 0.00 109 T 8.51 3.99 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 1.18 0.00 0.00 110 E 8.95 4.08 0.00 2.10 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 0.00 2.45 2.51 0.00 111 S 8.22 4.33 0.00 3.98 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 0.00 112 E 8.16 4.07 0.00 2.30 2.19 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 2.52 2.65 0.00 113 F 8.44 4.53 0.00 3.13 3.29 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 0.00 114 M 7.85 3.74 0.00 1.97 2.19 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.92 0.00 115 K 8.95 3.90 0.00 2.01 1.93 0.00 1.74 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.64 7.81 116 W 9.49 4.27 0.00 3.36 3.31 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 0.00 117 K 7.95 2.71 0.00 1.29 0.87 0.00 0.63 0.00 0.00 0.61 0.00 0.00 2.43 0.00 0.00 2.36 0.00 0.00 0.00 0.00 1.06 0.48 7.81 118 E 7.79 3.93 0.00 2.06 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 2.15 2.46 0.00 119 A 7.70 3.76 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 0.00 120 M 7.35 3.90 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.90 0.00 121 F 9.24 3.94 0.00 2.94 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 0.00 122 S 8.79 4.04 0.00 3.86 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 0.00 123 A 8.00 4.22 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 0.00 124 G 7.26 3.73 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 0.00 0.00 0.00 125 M 7.83 4.30 0.00 2.01 1.97 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 2.61 2.50 0.00 126 Q 8.18 4.56 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.18 2.30 0.00 127 L 7.99 4.90 0.00 1.69 1.96 1.01 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 128 P 0.00 4.74 0.00 2.18 2.45 0.00 4.00 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.69 0.00 129 T 8.66 4.58 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 1.25 0.00 0.00 130 L 9.07 4.12 0.00 1.67 1.82 1.05 0.82 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 0.00 131 D 8.04 4.28 0.00 2.81 2.68 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 0.00 132 E 7.70 4.01 0.00 2.36 2.08 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 2.38 2.41 0.00 133 I 8.26 3.82 2.03 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 1.53 1.16 0.96 0.00 0.00 134 N 8.24 4.38 0.00 2.93 2.89 0.00 0.00 7.29 6.80 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 0.00 135 K 8.31 4.04 0.00 1.86 1.91 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.50 1.58 7.81 136 K 9.27 4.01 0.00 1.93 2.15 0.00 1.67 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.58 1.62 7.81 137 E 8.85 4.13 0.00 2.28 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 0.00 2.35 2.47 0.00 138 L 8.77 3.97 0.00 1.93 1.73 0.92 0.69 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 0.00 139 S 8.90 4.06 0.00 3.88 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 0.00 140 I 8.27 3.69 2.38 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.91 1.36 0.00 0.00 141 K 8.09 3.95 0.00 1.85 1.86 0.00 1.97 0.00 0.00 1.82 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.65 7.81 142 E 7.87 3.98 0.00 1.90 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 2.44 0.00 143 A 7.47 3.62 0.63 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 0.00 0.00 144 S 7.46 4.41 0.00 3.93 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 0.00 145 G 8.70 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 0.00 0.00 0.00 146 P 0.00 4.37 0.00 2.22 2.23 0.00 3.87 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 147 S 7.45 4.58 0.00 3.82 3.73 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 0.00 148 S 8.98 4.37 0.00 3.90 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 0.00 149 G 7.97 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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