NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 P 4.9238 0.0000 0.0000 62.8730 32.1332 175.3604 2 I 3.9523 8.3460 119.0633 60.6092 38.0589 173.6489 3 I 4.6824 8.2304 125.2697 59.6979 40.7025 175.3918 4 D 4.9917 8.4799 119.1881 52.8287 40.5907 174.9725 5 Q 4.3736 8.0103 117.3411 55.5977 32.8469 173.9726 6 G 3.7565 8.7487 105.5062 43.4821 0.0000 171.0119 7 P 4.1952 0.0000 0.0000 62.2531 31.6079 176.2008 8 L 3.9514 8.4228 125.3869 54.5415 42.3795 175.0269 9 P 4.5098 0.0000 0.0000 62.4712 32.1203 175.4009 10 T 4.4820 7.9910 109.7992 59.6260 70.6139 173.9699 11 L 4.0887 8.3016 125.6775 54.3635 42.0972 177.7091 12 T 4.1488 8.5050 121.1290 63.1885 70.4816 175.4211 13 D 4.4657 8.5715 122.1835 57.2325 40.7175 179.4901 14 G 3.5264 7.9296 106.0386 47.8346 0.0000 175.3257 15 D 4.3095 7.9821 121.3025 57.0390 40.8935 178.9606 16 K 3.7960 8.0426 118.8532 59.0918 31.7541 179.3624 17 K 3.8490 7.8245 118.7680 59.4081 32.5237 178.3339 18 A 4.1783 8.1729 121.2478 55.3845 18.3309 179.5128 19 I 3.4994 7.7683 118.3411 64.5869 36.9436 177.7932 20 N 4.8089 7.9228 113.6729 54.3030 38.4143 176.5332 21 K 4.3478 7.8771 120.4497 58.6880 32.8650 178.5325 22 I 4.0258 7.8352 119.5363 63.7036 37.3194 177.6123 23 W 4.9475 8.6378 129.5042 60.6225 30.6001 176.0970 24 P 2.0000 0.0000 0.0000 64.8751 30.4795 178.5670 25 K 3.8226 7.7392 115.5925 59.4413 32.1980 179.0607 26 I 3.4722 6.9377 118.7750 64.2906 36.9219 177.5870 27 Y 4.4826 6.7953 114.9156 58.0567 38.0349 176.8904 28 K 4.3592 7.6469 121.2468 58.5968 32.7180 176.5930 29 E 4.7584 8.4747 119.8629 54.5170 31.0127 176.6042 30 Y 3.4629 8.5229 119.8467 59.9180 37.3277 177.4395 31 E 3.3899 7.1000 120.0383 59.1930 29.9724 178.4890 32 Q 3.8370 7.6199 118.3375 58.2591 29.1163 177.3183 33 Y 4.0379 7.5732 118.0429 60.9325 38.1906 177.4572 34 S 4.1752 7.7549 113.9864 61.3445 62.2091 176.2259 35 L 3.8871 7.5552 123.0081 58.2999 41.9404 178.6338 36 N 4.2810 7.6181 115.1489 56.2129 38.2771 177.4907 37 I 3.6768 7.7006 121.2063 64.4471 37.2745 178.2846 38 L 4.1193 7.6892 121.2044 58.1590 41.9801 178.9955 39 L 3.9700 8.3136 119.4992 57.6969 41.6529 179.3606 40 R 4.0140 8.2980 118.5620 58.7544 29.9026 178.4315 41 F 4.5113 8.0414 120.7551 61.4643 39.3798 177.2803 42 L 3.6420 7.9429 118.5769 57.2684 41.1030 179.4344 43 K 3.8909 7.7482 119.0078 59.3499 32.2827 178.1692 44 C 4.2141 7.7278 114.7479 60.2081 29.9158 174.0143 45 F 4.8095 7.7891 118.9442 54.2037 39.1571 173.5699 46 P 4.5713 0.0000 0.0000 64.9086 31.4631 178.1961 47 Q 4.1485 8.1206 116.0005 58.3454 28.6977 177.9573 48 A 3.4829 7.4862 121.6563 54.0299 17.9941 179.1922 49 Q 4.1612 7.8474 118.2240 58.9247 28.8696 177.5546 50 A 4.2477 7.4881 118.5968 53.6549 18.6473 178.6574 51 S 4.3693 7.8646 112.5563 58.6158 64.5694 174.8134 52 F 4.4669 7.4409 122.4393 53.8563 37.7876 173.8903 53 P 3.7914 0.0000 0.0000 65.7145 31.2074 178.7469 54 K 3.9952 7.8801 116.9140 58.3948 32.1940 176.4881 55 F 4.7832 8.0970 111.2804 56.7224 41.0579 174.6624 56 S 4.9325 8.5277 114.9353 58.4789 64.9278 173.6918 57 T 4.5604 7.5507 111.6514 59.2958 71.8155 174.3503 58 K 4.1371 8.3327 120.5735 56.5337 32.8585 177.9892 59 K 3.8037 8.8515 123.9682 58.4863 32.3744 177.8145 60 S 4.2878 8.1830 115.1137 60.3137 62.9846 174.6173 61 N 4.9793 7.8729 116.8373 52.4322 37.3809 175.7895 62 L 4.0690 7.9375 118.2495 56.6717 41.8730 177.2558 63 E 4.3555 7.9086 115.2266 56.2785 30.4732 176.3437 64 Q 4.2583 7.6520 117.0018 56.2887 30.7409 175.2409 65 D 4.2476 7.6370 117.7844 54.1325 41.9039 175.2198 66 P 4.2535 0.0000 0.0000 66.1067 31.3793 178.2686 67 E 4.1089 8.1032 117.7146 58.7862 29.4239 179.2970 68 V 3.0770 7.3204 118.2215 65.7496 31.6351 178.0893 69 K 3.9448 7.8255 117.9151 59.5989 31.8930 178.8615 70 H 4.2129 8.3149 118.6602 59.3565 29.8067 177.1632 71 Q 4.0331 8.3490 121.1884 58.6237 28.9669 177.7779 72 A 4.0427 7.9115 122.3895 55.3100 18.5181 180.0838 73 V 3.8398 8.0296 117.5787 64.8586 31.3194 178.6123 74 V 3.6812 7.7658 118.9022 65.9005 31.3217 178.1756 75 I 3.8697 7.9822 119.4782 64.5494 37.0836 178.1061 76 F 4.5411 8.5168 121.2551 61.6684 39.1745 176.9587 77 N 4.5951 8.8011 116.2229 56.0971 38.3992 177.3060 78 K 3.9423 8.0218 121.0989 59.5590 32.4197 179.0069 79 V 3.2824 7.8339 118.5437 65.7419 31.3291 177.5608 80 N 4.4851 8.1827 116.8896 56.8335 38.7094 176.5958 81 E 3.9829 8.5863 119.6233 59.1638 29.4121 178.4779 82 I 3.7978 7.6643 120.0617 63.9745 36.9064 178.2459 83 I 3.5789 7.0406 119.5959 63.7641 36.9726 177.4670 84 N 4.5529 7.8940 116.7514 55.1675 38.7241 175.0702 85 S 4.7664 7.4144 116.0066 58.5439 64.0707 176.3633 86 M 3.8781 8.1977 122.2124 58.4656 32.1588 177.9420 87 D 4.3883 8.1123 117.6418 57.1402 41.2922 176.6595 88 N 4.6106 7.3773 119.9794 52.2895 37.5589 175.0653 89 Q 4.2121 8.0744 119.7882 56.8674 29.0944 176.8408 90 E 4.1864 7.8967 120.3339 58.5112 29.8734 178.0767 91 E 3.8791 7.9451 119.1027 59.1976 29.6653 178.8116 92 I 3.6057 7.6242 119.3279 64.4072 37.2339 178.0641 93 I 3.6045 7.1904 119.3844 64.3327 36.6225 178.1768 94 K 3.8364 7.8671 120.0746 59.8405 32.1205 178.3049 95 S 4.1081 8.2975 113.4521 61.6511 62.4943 176.1772 96 L 4.0461 8.2756 121.5451 57.0967 41.4020 179.5272 97 K 3.9723 8.1012 120.3106 59.3098 32.2107 178.3242 98 D 4.4237 7.8504 118.1155 57.0729 41.2394 177.9877 99 L 4.0961 7.9017 120.6142 58.0217 42.0182 178.9040 100 S 4.1460 8.0039 113.0086 61.3298 62.4215 175.8817 101 Q 3.9516 7.7079 120.9449 58.9391 28.6632 178.3959 102 K 3.6022 7.9265 118.9881 59.8580 32.1679 178.9035 103 H 4.5471 8.3527 116.2281 59.7346 28.5414 176.5741 104 K 4.0372 8.4209 122.3049 58.7055 31.5760 178.6597 105 T 3.7646 7.8810 114.3474 63.8905 69.1598 175.5574 106 V 3.8628 7.3834 120.1265 64.5271 32.2562 176.8147 107 F 4.6601 7.3296 114.8577 57.4724 39.3943 175.5047 108 K 4.0882 7.8188 118.2548 56.0111 29.5336 175.2173 109 V 4.0745 8.2371 116.7902 62.1212 32.9498 174.3499 110 D 4.7690 8.6187 124.6003 52.8682 41.6314 177.4091 111 S 3.7039 8.7579 121.7321 60.7133 62.7867 175.1958 112 I 3.7642 7.0628 119.9552 62.2073 37.4021 177.1387 113 W 4.8719 7.4015 121.2248 58.9005 28.9183 178.3079 114 F 4.3378 7.2400 117.5296 60.6830 38.3442 177.1599 115 K 3.9013 8.2353 118.4236 59.8044 31.7579 178.3825 116 E 4.0021 8.1017 118.1251 59.4036 29.4397 178.9676 117 L 3.7162 7.6821 120.2435 58.0239 42.0871 179.1728 118 S 3.7701 8.3882 115.6146 61.4242 62.7354 176.8025 119 S 4.1224 8.3210 118.2854 61.7482 62.5701 176.8541 120 I 4.3229 7.6882 123.7580 63.4357 36.8757 178.1389 121 F 3.9133 8.2932 121.7945 61.2564 39.2134 177.1825 122 V 3.6081 7.5354 117.7037 66.0931 31.4507 177.9728 123 S 4.1507 7.9802 113.7565 61.9937 62.4712 176.5837 124 T 3.9501 7.9512 118.5922 65.8855 68.3549 175.8805 125 I 4.0215 7.5966 111.6364 60.2174 38.1598 175.0993 126 D 4.3922 7.9830 119.1373 55.2169 40.0581 173.8585 127 G 3.6109 7.9781 104.8768 44.8965 0.0000 175.3291 128 G 4.1340 8.5402 114.0361 45.0934 0.0000 175.8910 129 A 4.0455 8.7520 120.9377 55.0340 18.3979 179.4020 130 E 3.8606 8.2358 116.8272 59.9004 29.7000 179.5342 131 F 4.1164 8.3862 116.6812 60.1335 39.0313 177.4907 132 E 4.1925 8.0744 118.7979 58.9646 29.1552 179.1018 133 K 3.9584 8.0186 119.6177 59.0657 32.1920 178.4821 134 L 3.6894 7.6822 120.5908 58.3895 42.0473 179.1194 135 F 3.9773 8.2797 116.7168 59.7879 38.7960 177.9501 136 S 4.5606 7.7930 116.6419 61.0028 62.6382 176.5537 137 I 3.7198 7.8567 122.7696 64.1303 36.7958 178.6389 138 I 3.5246 7.7162 120.8542 64.6337 36.8326 178.3572 139 C 4.1099 8.4391 117.9041 62.7051 27.6937 176.2492 140 I 3.9818 7.4407 121.8816 63.9570 37.0173 178.2392 141 L 4.0975 7.6738 119.3406 57.6109 41.2252 179.3802 142 L 3.9296 7.7614 117.6248 56.3908 41.5055 178.5383 143 R 4.3218 7.2948 117.4991 55.7969 30.1927 177.9738 144 S 4.2864 7.8684 115.7371 60.7930 63.3783 175.4746 145 A 4.1978 8.5787 123.4318 54.1511 18.5889 176.8465 146 Y 4.2426 7.9434 116.8086 58.3284 37.9705 175.3255 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 P 0.00 4.92 0.00 2.21 2.09 0.00 3.09 0.00 0.00 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.10 0.00 2 I 8.35 3.95 1.91 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.69 0.98 0.00 0.00 3 I 8.23 4.68 1.88 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 0.69 0.97 0.00 0.00 4 D 8.48 4.99 0.00 2.81 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 5 Q 8.01 4.37 0.00 1.99 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.74 0.00 0.00 0.00 0.00 0.00 2.24 2.27 0.00 6 G 8.75 3.76 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 0.00 0.00 0.00 7 P 0.00 4.20 0.00 2.04 2.00 0.00 3.68 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.07 0.00 8 L 8.42 3.95 0.00 1.55 1.55 0.87 0.95 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 9 P 0.00 4.51 0.00 2.04 1.94 0.00 3.63 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 10 T 7.99 4.48 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 1.17 0.00 0.00 11 L 8.30 4.09 0.00 1.54 1.57 0.84 0.73 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 12 T 8.51 4.15 4.60 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 1.21 0.00 0.00 13 D 8.57 4.47 0.00 2.69 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 14 G 7.93 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 0.00 0.00 0.00 15 D 7.98 4.31 0.00 2.73 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 16 K 8.04 3.80 0.00 1.88 1.77 0.00 1.60 0.00 0.00 1.48 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.34 1.68 7.81 17 K 7.82 3.85 0.00 1.98 1.97 0.00 1.82 0.00 0.00 1.71 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.46 7.81 18 A 8.17 4.18 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 19 I 7.77 3.50 1.71 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.23 0.37 0.00 0.00 20 N 7.92 4.81 0.00 2.95 2.93 0.00 0.00 7.05 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 21 K 7.88 4.35 0.00 1.98 1.93 0.00 1.73 0.00 0.00 1.73 0.00 0.00 3.14 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.55 7.81 22 I 7.84 4.03 2.28 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.52 0.90 0.00 0.00 23 W 8.64 4.95 0.00 3.73 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 P 0.00 2.00 0.00 1.97 1.78 0.00 3.79 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.25 0.00 25 K 7.74 3.82 0.00 1.67 1.85 0.00 1.72 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.46 7.81 26 I 6.94 3.47 1.42 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.79 0.56 0.00 0.00 27 Y 6.80 4.48 0.00 2.94 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 28 K 7.65 4.36 0.00 1.81 2.03 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.50 7.81 29 E 8.47 4.76 0.00 2.11 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 2.11 2.19 0.00 30 Y 8.52 3.46 0.00 1.88 3.05 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 31 E 7.10 3.39 0.00 1.45 1.68 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 2.06 1.60 0.00 32 Q 7.62 3.84 0.00 1.91 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.88 0.00 0.00 0.00 0.00 0.00 2.16 2.24 0.00 33 Y 7.57 4.04 0.00 3.09 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 34 S 7.75 4.18 0.00 3.98 4.05 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 35 L 7.56 3.89 0.00 1.82 1.53 0.82 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.62 4.28 0.00 2.79 2.81 0.00 0.00 7.12 7.30 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 37 I 7.70 3.68 1.91 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.43 0.84 0.00 0.00 38 L 7.69 4.12 0.00 1.75 1.65 1.00 0.65 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 39 L 8.31 3.97 0.00 1.71 1.65 0.84 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 40 R 8.30 4.01 0.00 2.03 1.99 0.00 3.12 0.00 0.00 3.15 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 41 F 8.04 4.51 0.00 3.18 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 42 L 7.94 3.64 0.00 1.68 1.60 0.81 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 43 K 7.75 3.89 0.00 1.73 1.94 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.41 7.81 44 C 7.73 4.21 0.00 2.82 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 45 F 7.79 4.81 0.00 2.52 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 0.00 0.00 0.00 0.00 46 P 0.00 4.57 0.00 2.13 2.05 0.00 3.84 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 47 Q 8.12 4.15 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.55 2.53 0.00 48 A 7.49 3.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 Q 7.85 4.16 0.00 2.17 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.59 0.00 50 A 7.49 4.25 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 51 S 7.86 4.37 0.00 3.31 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 52 F 7.44 4.47 0.00 2.06 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 0.00 0.00 0.00 53 P 0.00 3.79 0.00 2.16 2.22 0.00 3.75 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.02 0.00 54 K 7.88 4.00 0.00 1.72 2.27 0.00 1.82 0.00 0.00 1.78 0.00 0.00 3.37 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.44 7.81 55 F 8.10 4.78 0.00 2.89 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 56 S 8.53 4.93 0.00 3.88 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.55 4.56 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 1.25 0.00 0.00 58 K 8.33 4.14 0.00 1.95 1.99 0.00 1.53 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.44 7.81 59 K 8.85 3.80 0.00 1.73 1.90 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.48 7.81 60 S 8.18 4.29 0.00 3.83 3.90 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 61 N 7.87 4.98 0.00 2.78 2.93 0.00 0.00 6.31 6.67 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 62 L 7.94 4.07 0.00 1.74 1.63 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.91 4.36 0.00 1.98 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 0.00 2.13 2.18 0.00 64 Q 7.65 4.26 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.25 0.00 65 D 7.64 4.25 0.00 2.58 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 0.00 0.00 0.00 0.00 66 P 0.00 4.25 0.00 2.29 2.27 0.00 3.71 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.04 0.00 67 E 8.10 4.11 0.00 2.25 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 0.00 2.45 2.40 0.00 68 V 7.32 3.08 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 0.88 0.00 0.00 -0.10 0.00 0.00 69 K 7.83 3.94 0.00 1.94 1.78 0.00 1.70 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.61 7.81 70 H 8.31 4.21 0.00 3.23 3.53 0.00 5.58 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.35 4.03 0.00 2.42 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.52 2.58 0.00 72 A 7.91 4.04 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 V 8.03 3.84 2.29 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 0.96 0.00 0.00 1.22 0.00 0.00 74 V 7.77 3.68 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 1.09 0.00 0.00 0.87 0.00 0.00 75 I 7.98 3.87 2.29 0.00 0.00 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 1.60 0.81 1.23 0.00 0.00 76 F 8.52 4.54 0.00 3.48 3.44 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 0.00 77 N 8.80 4.60 0.00 3.16 2.94 0.00 0.00 6.61 7.23 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 78 K 8.02 3.94 0.00 1.88 1.98 0.00 1.51 0.00 0.00 1.63 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 79 V 7.83 3.28 2.15 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 0.19 0.00 0.00 0.79 0.00 0.00 80 N 8.18 4.49 0.00 3.30 3.17 0.00 0.00 6.83 7.70 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 81 E 8.59 3.98 0.00 1.94 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 0.00 2.27 2.32 0.00 82 I 7.66 3.80 1.72 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.64 0.00 0.00 83 I 7.04 3.58 1.51 0.00 0.00 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 -0.11 0.60 0.00 0.00 84 N 7.89 4.55 0.00 2.86 2.92 0.00 0.00 6.99 7.78 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 85 S 7.41 4.77 0.00 3.84 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 86 M 8.20 3.88 0.00 1.87 2.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.34 0.00 87 D 8.11 4.39 0.00 2.62 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 88 N 7.38 4.61 0.00 2.54 2.66 0.00 0.00 7.27 6.57 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 89 Q 8.07 4.21 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.62 0.00 0.00 0.00 0.00 0.00 2.57 2.34 0.00 90 E 7.90 4.19 0.00 1.98 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 0.00 2.34 2.32 0.00 91 E 7.95 3.88 0.00 1.99 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 2.27 2.32 0.00 92 I 7.62 3.61 1.78 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.61 0.79 0.00 0.00 93 I 7.19 3.60 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.85 0.88 0.00 0.00 94 K 7.87 3.84 0.00 1.93 1.93 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.44 7.81 95 S 8.30 4.11 0.00 3.88 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 96 L 8.28 4.05 0.00 1.71 1.60 0.77 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.10 3.97 0.00 2.07 1.78 0.00 1.71 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.42 7.81 98 D 7.85 4.42 0.00 2.83 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 99 L 7.90 4.10 0.00 1.87 1.65 1.14 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 100 S 8.00 4.15 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 Q 7.71 3.95 0.00 2.25 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.38 0.00 102 K 7.93 3.60 0.00 2.12 1.43 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.27 1.40 7.81 103 H 8.35 4.55 0.00 3.81 3.93 0.00 5.81 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 K 8.42 4.04 0.00 1.60 1.40 0.00 1.33 0.00 0.00 1.44 0.00 0.00 2.81 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.76 0.21 7.81 105 T 7.88 3.76 4.14 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 1.11 0.00 0.00 106 V 7.38 3.86 1.24 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 0.44 0.00 0.00 0.68 0.00 0.00 107 F 7.33 4.66 0.00 3.23 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 7.82 4.09 0.00 1.90 1.88 0.00 1.78 0.00 0.00 0.61 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.31 7.81 109 V 8.24 4.07 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 0.80 0.00 0.00 1.04 0.00 0.00 110 D 8.62 4.77 0.00 2.77 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 0.00 0.00 0.00 0.00 111 S 8.76 3.70 0.00 3.57 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 0.00 112 I 7.06 3.76 1.17 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.59 0.00 0.00 113 W 7.40 4.87 0.00 3.06 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 0.00 114 F 7.24 4.34 0.00 3.10 3.05 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 0.00 115 K 8.24 3.90 0.00 1.85 1.83 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.98 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.54 1.58 7.81 116 E 8.10 4.00 0.00 2.15 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 1.81 0.00 117 L 7.68 3.72 0.00 0.75 1.56 0.76 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 118 S 8.39 3.77 0.00 4.05 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 0.00 119 S 8.32 4.12 0.00 4.12 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 0.00 120 I 7.69 4.32 2.13 0.00 0.00 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 1.55 1.80 1.07 0.00 0.00 121 F 8.29 3.91 0.00 3.09 2.47 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 0.00 122 V 7.54 3.61 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 1.08 0.00 0.00 0.77 0.00 0.00 123 S 7.98 4.15 0.00 4.15 4.15 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 0.00 124 T 7.95 3.95 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 1.35 0.00 0.00 125 I 7.60 4.02 1.68 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.53 0.92 0.00 0.00 126 D 7.98 4.39 0.00 2.86 2.77 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 0.00 127 G 7.98 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.54 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 0.00 129 A 8.75 4.05 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 0.00 130 E 8.24 3.86 0.00 2.13 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 2.38 2.43 0.00 131 F 8.39 4.12 0.00 3.23 3.30 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 0.00 132 E 8.07 4.19 0.00 2.24 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 2.40 2.58 0.00 133 K 8.02 3.96 0.00 1.84 1.91 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.36 1.39 7.81 134 L 7.68 3.69 0.00 1.63 1.47 0.17 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 135 F 8.28 3.98 0.00 3.29 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 0.00 136 S 7.79 4.56 0.00 4.03 3.90 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 0.00 137 I 7.86 3.72 1.92 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.13 0.79 0.00 0.00 138 I 7.72 3.52 1.84 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 1.20 0.64 0.76 0.00 0.00 139 C 8.44 4.11 0.00 3.14 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 0.00 140 I 7.44 3.98 1.92 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.12 0.88 0.00 0.00 141 L 7.67 4.10 0.00 1.90 1.61 0.87 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 142 L 7.76 3.93 0.00 1.22 0.39 0.35 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 143 R 7.29 4.32 0.00 1.74 1.82 0.00 3.29 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.80 0.00 144 S 7.87 4.29 0.00 4.01 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 0.00 145 A 8.58 4.20 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 0.00 146 Y 7.94 4.24 0.00 3.09 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