NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0760 8.0549 120.3888 62.2842 32.7097 175.1717 2 L 3.9171 8.1473 127.1464 52.5271 42.1728 176.1713 3 S 4.4523 9.3188 118.5540 58.0036 66.0829 174.9686 4 E 4.2922 8.8137 122.4949 59.1206 29.2367 178.6231 5 G 3.8300 8.2523 105.5810 48.1967 0.0000 175.1691 6 E 3.9269 8.1484 121.4937 58.6189 29.4968 179.5303 7 W 4.5531 8.2099 118.9588 59.9485 29.0854 178.3465 8 Q 4.1139 8.4419 117.9731 59.1079 28.0742 179.1829 9 L 4.0208 7.7574 119.6312 57.8457 41.7381 179.3721 10 V 3.7837 7.8725 118.0611 66.5940 31.3961 178.1272 11 L 4.3215 8.7928 118.2371 57.3560 41.1864 179.0763 12 H 4.2169 8.5746 119.1265 59.3471 30.0413 177.7232 13 V 3.6532 7.7963 121.1410 64.4582 31.1976 178.0352 14 W 3.9671 8.5138 128.9074 60.1538 30.3102 177.5292 15 A 4.0058 8.1348 120.0234 55.4567 18.0074 179.5230 16 K 3.9627 7.5017 116.4853 58.9303 31.9772 179.6002 17 V 2.7759 6.9390 118.6034 65.9308 30.9659 177.9212 18 E 3.7424 7.3760 115.9535 58.8519 29.2755 178.8447 19 A 4.1834 7.3487 119.5516 53.8692 19.8062 177.5370 20 D 4.5951 7.8273 114.5815 52.3822 43.2601 175.6942 21 V 3.4518 7.8782 123.6351 65.5508 32.0412 176.3801 22 A 4.1659 8.1297 120.1272 55.3236 18.2158 179.3844 23 G 3.7433 7.8927 104.5888 47.8565 0.0000 175.5769 24 H 4.1964 8.1261 119.0626 58.0926 28.8097 178.1978 25 G 3.5950 9.1908 108.3801 47.6915 0.0000 175.5459 26 Q 3.8513 8.4323 122.2998 58.9910 29.1063 177.9902 27 D 4.2853 7.8207 119.4984 57.4525 40.8194 178.6797 28 I 3.6210 7.6884 120.0275 64.6084 37.0863 178.4894 29 L 3.3865 7.5738 119.0555 57.4922 41.3422 179.7415 30 I 3.6161 7.5497 119.6819 64.2802 36.9951 178.2182 31 R 3.7805 7.8709 119.4468 59.3875 29.7764 178.1262 32 L 3.8903 7.7674 119.8976 58.3748 41.8176 179.0271 33 F 4.5689 7.8985 117.7931 60.4416 38.5744 177.7314 34 K 4.1638 7.8984 117.2951 59.1609 32.1788 179.1843 35 S 4.3314 8.1147 114.7652 59.9987 64.0668 174.2208 36 H 4.6655 8.1590 119.0057 51.7769 28.7690 171.6779 37 P 4.4462 0.0000 0.0000 64.7129 31.5708 177.4174 38 E 4.1644 8.2843 115.8376 59.4598 29.2871 179.2620 39 T 3.8514 8.2359 111.5448 64.5233 69.0384 176.2516 40 L 3.6840 7.8538 121.9940 58.0830 41.7931 178.8123 41 E 4.0862 7.7130 116.3847 59.2389 29.4510 178.5794 42 K 4.0154 8.0732 116.6151 57.9286 32.4389 176.7422 43 F 4.6795 8.0717 118.3253 55.4426 39.6120 175.8943 44 D 4.3844 8.6342 127.2004 57.2189 40.9328 179.3074 45 R 3.7866 7.9222 117.9419 58.4520 30.2679 176.6190 46 F 5.0664 7.8661 113.5689 56.6628 40.3727 176.8571 47 K 3.9916 7.6971 120.4449 59.3273 31.9820 178.0186 48 H 4.3886 8.1245 113.3479 57.7387 28.9160 175.9072 49 L 4.2274 7.2763 120.5018 54.5535 41.8102 176.7220 50 K 4.4298 9.8363 123.2625 56.5190 34.5381 176.7158 51 T 4.7148 7.5025 107.5330 58.8997 72.9959 174.4620 52 E 3.8659 8.5638 121.1362 59.3284 29.7029 178.4877 53 A 3.9516 7.9801 120.2626 55.2813 18.2205 178.9574 54 E 3.8805 8.0346 115.6877 60.0301 29.7719 179.1438 55 M 4.1159 8.0407 118.2751 58.6982 31.8838 178.9505 56 K 3.8241 8.0236 116.6860 59.4036 32.2856 178.5712 57 A 4.3918 7.5460 118.5806 52.3689 18.8936 177.2746 58 S 4.2142 7.4675 113.7110 57.9047 62.6469 174.3715 59 E 4.0605 8.8305 129.3618 58.9987 29.4983 177.8577 60 D 4.4201 8.1042 117.9458 57.0995 41.3308 177.7548 61 L 3.4414 8.1851 120.9363 57.9508 42.0107 178.5520 62 K 3.7589 7.7697 119.1632 59.7016 31.9685 178.7247 63 K 3.9990 8.0721 118.4298 59.7914 31.9919 178.8435 64 H 4.4276 8.5046 118.6967 59.2202 29.9149 177.3123 65 G 3.6516 8.4293 107.9707 47.9461 0.0000 175.7736 66 V 3.6228 7.6851 120.1339 65.9214 31.6729 178.0163 67 T 3.8997 7.9427 115.5634 66.8229 68.3595 176.6413 68 V 3.6176 7.9077 119.8333 66.1729 31.5538 178.1605 69 L 4.2793 7.9658 118.4584 57.7574 41.4058 179.5974 70 T 3.9346 8.5046 116.2290 66.7030 68.5638 176.4120 71 A 4.0223 7.9317 122.3033 55.0648 18.4083 179.5017 72 L 3.7607 8.1823 119.0234 57.9669 42.1297 179.2843 73 G 3.3186 8.3947 105.7785 47.7307 0.0000 175.4255 74 A 3.9801 7.7006 122.1810 54.8057 18.5845 179.4387 75 I 3.7381 7.5097 117.7074 64.6572 37.2711 178.3182 76 L 3.8800 7.6431 119.4778 58.0232 41.2945 179.2910 77 K 4.1250 7.5902 114.9482 57.2290 32.4845 178.3563 78 K 4.0245 8.0424 119.3122 55.5138 33.1215 176.1375 79 K 2.0000 8.2237 118.2991 56.4532 29.7980 173.5409 80 G 4.1717 7.9726 106.6713 46.1411 0.0000 173.5821 81 H 4.6804 7.3531 117.4167 55.5646 28.1458 175.5894 82 H 5.2146 7.5971 111.9284 54.9439 30.1065 176.1085 83 E 4.0291 8.2244 122.9579 60.2846 29.3768 178.0344 84 A 4.0234 7.8930 120.5773 54.9682 19.1730 178.9928 85 E 4.0967 8.1064 116.7611 59.3009 29.5785 179.1195 86 L 4.0095 8.1846 120.6176 57.7130 42.1667 178.5019 87 K 3.8138 7.9728 119.7035 59.5097 32.0969 176.8687 88 P 4.2803 0.0000 0.0000 65.2962 31.2516 178.4223 89 L 4.0110 7.4354 118.3929 58.2634 41.9985 179.0081 90 A 4.1833 8.3249 120.9102 55.0030 18.2330 179.6118 91 Q 3.8416 8.1945 117.0333 59.1936 28.8362 179.2760 92 S 3.9705 8.0906 115.2368 61.5873 63.1284 176.2974 93 H 4.1340 8.3138 119.5882 58.3665 28.5922 177.6651 94 A 2.9263 8.3683 123.4591 54.8994 17.8346 179.5677 95 T 3.5782 7.1471 106.3485 63.2225 69.3947 175.9092 96 K 4.0728 7.8538 121.8932 58.3592 32.7754 177.0731 97 H 4.4097 7.7441 113.5317 55.5684 29.7699 174.6320 98 K 4.0296 7.5807 117.2659 57.0526 29.4462 175.6394 99 I 4.3363 7.9823 119.7200 58.9853 38.8767 175.0852 100 P 4.5013 0.0000 0.0000 62.1215 31.9841 177.4802 101 I 3.4377 8.4046 121.7896 64.4296 36.9080 178.5183 102 K 3.6047 7.9329 119.9159 59.6832 31.8170 178.1761 103 Y 4.1348 7.9765 117.1160 60.7108 37.8537 177.8251 104 L 4.1284 7.9191 119.6168 57.7336 41.6931 179.0192 105 E 3.9635 7.7645 119.5406 59.2479 29.4724 178.9163 106 F 4.4937 7.7902 117.9179 60.6413 38.9188 177.5372 107 I 3.7422 8.2141 118.4094 64.0002 37.7936 177.8243 108 S 4.1776 8.1327 116.1847 61.9396 62.7593 176.5576 109 E 4.0400 8.2912 120.6108 59.4564 29.2355 179.3230 110 A 4.0123 8.2678 120.8115 55.2144 18.4237 179.5845 111 I 3.6506 7.9300 118.2702 64.8481 37.2650 178.8252 112 I 3.8648 7.9860 120.4537 64.4127 36.9213 177.6636 113 H 4.0605 8.3477 119.3077 59.5325 29.5216 177.3542 114 V 3.5006 7.8180 119.4483 66.0260 31.4376 177.6317 115 L 3.7193 8.0392 119.1876 58.1720 41.1022 179.2064 116 H 4.3851 7.8738 116.5812 59.4574 29.9638 177.0917 117 S 4.1725 7.8090 115.6019 61.8007 62.7799 176.6893 118 R 4.0198 7.9693 119.1049 58.0650 30.8627 176.7507 119 H 4.9384 8.2516 116.4986 54.5282 30.0300 173.0901 120 P 4.1429 0.0000 0.0000 66.2407 31.7037 178.9434 121 G 3.9095 8.0445 104.1372 46.8606 0.0000 173.2757 122 D 4.9801 8.2111 118.1118 54.0260 43.1767 175.7682 123 F 4.9507 8.1597 120.7693 56.1951 39.6169 174.1736 124 G 3.8957 7.5958 109.1962 44.2643 0.0000 171.7776 125 A 3.8934 8.4013 120.8512 54.8912 18.4170 179.6607 126 D 4.1675 7.9225 116.9982 56.8031 39.4752 178.6452 127 A 3.9350 7.7736 122.5807 54.2245 18.4065 178.9866 128 Q 3.1619 7.7927 118.6375 59.0653 28.9653 179.0966 129 G 3.4799 8.0402 106.5608 47.7297 0.0000 175.5954 130 A 3.8681 7.9172 123.5504 55.0033 18.3062 179.4637 131 M 4.0242 8.2837 117.0529 58.4491 32.2565 177.9691 132 N 4.2939 8.2468 117.3527 56.5821 39.1330 176.7042 133 K 3.7761 7.8855 119.5749 59.5926 32.2190 178.8243 134 A 3.8569 7.9106 120.7476 55.5006 18.2891 179.7842 135 L 4.1152 8.3425 117.4867 57.8036 41.5481 179.5685 136 E 4.0209 8.6431 119.3029 59.2278 29.2585 179.0998 137 L 3.9555 8.2342 120.6326 57.8449 42.1690 178.4553 138 F 4.0675 8.3607 120.7220 61.6307 39.2394 177.3228 139 R 3.6480 8.1186 117.2536 58.9817 29.8606 179.0855 140 K 3.8309 8.2056 119.4531 59.7671 32.1705 178.7485 141 D 4.3650 8.2879 119.3994 57.1677 40.6662 178.9825 142 I 3.5203 7.5315 120.2674 64.0511 37.0828 177.8777 143 A 3.6881 7.9767 121.8855 55.4562 18.1966 179.6733 144 A 4.0051 7.9175 118.7311 55.0487 18.2474 180.0398 145 K 4.0506 7.7824 117.4818 59.5224 32.0872 179.0553 146 Y 4.1584 8.2556 117.1226 61.1263 37.9463 178.3909 147 K 3.8722 8.2057 120.3903 59.8153 32.0068 178.1460 148 E 3.9723 7.9048 117.6861 59.2592 29.6293 178.2800 149 L 4.3878 7.6952 116.7945 55.2952 41.9424 177.7285 150 G 3.7994 8.1749 106.8691 45.7206 0.0000 172.6817 151 Y 4.4886 7.8026 115.8713 56.7332 41.6588 179.2528 152 Q 3.1088 8.4310 120.6320 56.6423 29.6223 174.9589 153 G 3.7339 8.8208 118.6952 46.6407 0.0000 171.8968 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 V 8.05 4.08 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 1.06 0.00 0.00 0.94 0.00 0.00 2 L 8.15 3.92 0.00 0.27 0.60 0.48 -0.67 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 3 S 9.32 4.45 0.00 4.00 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 4 E 8.81 4.29 0.00 2.19 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 2.43 2.52 0.00 5 G 8.25 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 0.00 0.00 0.00 6 E 8.15 3.93 0.00 1.90 1.76 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 2.23 2.27 0.00 7 W 8.21 4.55 0.00 3.53 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 8 Q 8.44 4.11 0.00 2.38 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.47 2.78 0.00 9 L 7.76 4.02 0.00 1.96 1.77 0.93 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.87 3.78 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 1.25 0.00 0.00 0.93 0.00 0.00 11 L 8.79 4.32 0.00 1.89 1.80 0.88 1.01 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 12 H 8.57 4.22 0.00 3.47 3.55 0.00 5.78 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.80 3.65 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 1.03 0.00 0.00 0.78 0.00 0.00 14 W 8.51 3.97 0.00 3.60 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 15 A 8.13 4.01 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.50 3.96 0.00 1.62 1.74 0.00 1.61 0.00 0.00 1.54 0.00 0.00 2.74 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.31 7.81 17 V 6.94 2.78 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 0.00 0.00 0.03 0.00 0.00 0.10 0.00 0.00 18 E 7.38 3.74 0.00 2.04 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 2.10 2.21 0.00 19 A 7.35 4.18 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 20 D 7.83 4.60 0.00 2.63 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.88 3.45 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 0.97 0.00 0.00 0.89 0.00 0.00 22 A 8.13 4.17 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 23 G 7.89 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.13 4.20 0.00 3.29 3.25 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 9.19 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 Q 8.43 3.85 0.00 2.12 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.74 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 27 D 7.82 4.29 0.00 2.84 2.64 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 0.00 0.00 0.00 0.00 28 I 7.69 3.62 2.01 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 1.51 0.64 0.87 0.00 0.00 29 L 7.57 3.39 0.00 1.37 0.92 0.78 0.37 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 30 I 7.55 3.62 1.87 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 1.38 0.56 0.88 0.00 0.00 31 R 7.87 3.78 0.00 2.02 2.07 0.00 3.05 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 32 L 7.77 3.89 0.00 1.65 1.41 1.01 0.92 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 33 F 7.90 4.57 0.00 3.03 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 34 K 7.90 4.16 0.00 1.79 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.71 7.81 35 S 8.11 4.33 0.00 3.66 3.63 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 36 H 8.16 4.67 0.00 3.01 2.97 0.00 5.64 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.45 0.00 2.15 2.12 0.00 3.80 0.00 0.00 3.77 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 38 E 8.28 4.16 0.00 2.30 2.31 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 2.23 2.54 0.00 39 T 8.24 3.85 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 40 L 7.85 3.68 0.00 1.51 1.83 -0.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.71 4.09 0.00 2.35 2.09 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 2.39 2.56 0.00 42 K 8.07 4.02 0.00 1.87 1.68 0.00 1.71 0.00 0.00 1.78 0.00 0.00 3.15 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.77 1.90 7.81 43 F 8.07 4.68 0.00 3.25 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 44 D 8.63 4.38 0.00 2.67 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.92 3.79 0.00 1.46 1.14 0.00 2.21 0.00 0.00 2.61 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.35 0.00 46 F 7.87 5.07 0.00 2.90 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 47 K 7.70 3.99 0.00 2.09 1.91 0.00 1.95 0.00 0.00 1.93 0.00 0.00 2.94 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.50 1.72 7.81 48 H 8.12 4.39 0.00 3.29 3.45 0.00 5.53 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.28 4.23 0.00 1.67 1.54 0.85 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.84 4.43 0.00 1.78 1.80 0.00 1.64 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.47 7.81 51 T 7.50 4.71 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 52 E 8.56 3.87 0.00 2.04 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 2.36 2.36 0.00 53 A 7.98 3.95 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 54 E 8.03 3.88 0.00 2.10 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 0.00 2.36 2.37 0.00 55 M 8.04 4.12 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.56 0.00 56 K 8.02 3.82 0.00 1.96 1.87 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.44 7.81 57 A 7.55 4.39 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 7.47 4.21 0.00 3.85 3.80 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 59 E 8.83 4.06 0.00 2.14 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 2.39 2.45 0.00 60 D 8.10 4.42 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.19 3.44 0.00 1.28 1.62 0.06 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.77 3.76 0.00 1.96 2.01 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 63 K 8.07 4.00 0.00 2.21 1.94 0.00 1.79 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.51 1.65 7.81 64 H 8.50 4.43 0.00 3.63 3.56 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.43 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.69 3.62 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 1.06 0.00 0.00 0.99 0.00 0.00 67 T 7.94 3.90 4.40 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 1.29 0.00 0.00 68 V 7.91 3.62 2.09 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 1.08 0.00 0.00 0.97 0.00 0.00 69 L 7.97 4.28 0.00 1.84 1.88 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.50 3.93 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 1.26 0.00 0.00 71 A 7.93 4.02 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 0.00 0.00 72 L 8.18 3.76 0.00 1.57 1.56 0.17 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.39 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.70 3.98 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 75 I 7.51 3.74 2.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.51 0.93 0.00 0.00 76 L 7.64 3.88 0.00 1.33 1.52 0.11 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.59 4.13 0.00 1.67 1.77 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.19 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.57 7.81 78 K 8.04 4.02 0.00 1.83 1.86 0.00 1.80 0.00 0.00 1.59 0.00 0.00 2.89 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.59 1.60 7.81 79 K 8.22 2.00 0.00 1.34 0.74 0.00 1.44 0.00 0.00 1.43 0.00 0.00 2.73 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.46 0.78 7.81 80 G 7.97 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 H 7.35 4.68 0.00 3.20 3.29 0.00 5.82 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 82 H 7.60 5.21 0.00 3.33 3.47 0.00 5.64 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.22 4.03 0.00 2.20 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 0.00 2.38 2.33 0.00 84 A 7.89 4.02 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 85 E 8.11 4.10 0.00 2.25 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 0.00 2.40 2.43 0.00 86 L 8.18 4.01 0.00 1.84 1.70 0.73 0.51 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 87 K 7.97 3.81 0.00 2.10 1.82 0.00 1.70 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.51 7.81 88 P 0.00 4.28 0.00 2.22 2.10 0.00 3.88 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 89 L 7.44 4.01 0.00 1.81 1.93 1.12 1.19 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 90 A 8.32 4.18 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 91 Q 8.19 3.84 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 92 S 8.09 3.97 0.00 3.94 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 93 H 8.31 4.13 0.00 3.51 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.37 2.93 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.15 3.58 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 0.90 0.00 0.00 96 K 7.85 4.07 0.00 1.47 1.60 0.00 1.60 0.00 0.00 1.63 0.00 0.00 3.06 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.30 1.36 7.81 97 H 7.74 4.41 0.00 3.19 3.15 0.00 5.87 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.58 4.03 0.00 1.84 1.85 0.00 1.59 0.00 0.00 2.61 0.00 0.00 3.03 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.42 7.81 99 I 7.98 4.34 2.06 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 1.12 0.00 0.00 100 P 0.00 4.50 0.00 1.74 1.78 0.00 3.13 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 0.53 1.51 0.00 101 I 8.40 3.44 1.74 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.76 0.72 0.00 0.00 102 K 7.93 3.60 0.00 1.72 1.65 0.00 1.48 0.00 0.00 1.72 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 0.76 7.81 103 Y 7.98 4.13 0.00 3.13 3.07 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 0.00 104 L 7.92 4.13 0.00 1.81 1.81 0.68 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.76 3.96 0.00 1.86 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 2.36 2.36 0.00 106 F 7.79 4.49 0.00 3.25 2.74 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 0.00 107 I 8.21 3.74 2.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.36 1.02 0.00 0.00 108 S 8.13 4.18 0.00 4.18 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 0.00 109 E 8.29 4.04 0.00 2.29 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 0.00 2.70 2.61 0.00 110 A 8.27 4.01 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 0.00 111 I 7.93 3.65 2.16 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.82 1.02 0.00 0.00 112 I 7.99 3.86 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.92 1.16 0.00 0.00 113 H 8.35 4.06 0.00 3.36 3.50 0.00 5.59 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 0.00 114 V 7.82 3.50 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 1.00 0.00 0.00 1.01 0.00 0.00 115 L 8.04 3.72 0.00 0.75 0.40 0.72 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.87 4.39 0.00 3.55 3.61 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.81 4.17 0.00 3.79 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 0.00 118 R 7.97 4.02 0.00 1.72 1.62 0.00 3.08 0.00 0.00 2.90 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.61 0.00 119 H 8.25 4.94 0.00 3.12 3.36 0.00 5.66 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 0.00 120 P 0.00 4.14 0.00 2.17 2.06 0.00 3.57 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 2.09 2.06 0.00 121 G 8.04 3.91 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 0.00 0.00 0.00 122 D 8.21 4.98 0.00 2.91 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 0.00 123 F 8.16 4.95 0.00 2.98 3.09 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 0.00 124 G 7.60 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 0.00 0.00 0.00 125 A 8.40 3.89 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 0.00 126 D 7.92 4.17 0.00 2.86 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 0.00 127 A 7.77 3.93 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 0.00 128 Q 7.79 3.16 0.00 1.50 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 2.23 2.26 0.00 129 G 8.04 3.48 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 0.00 0.00 0.00 130 A 7.92 3.87 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 0.00 131 M 8.28 4.02 0.00 2.41 2.40 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.84 0.00 132 N 8.25 4.29 0.00 2.89 2.78 0.00 0.00 7.15 6.07 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 0.00 133 K 7.89 3.78 0.00 1.86 1.67 0.00 1.60 0.00 0.00 1.56 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.49 7.81 134 A 7.91 3.86 nan 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.34 4.12 0.00 1.73 1.79 0.97 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.64 4.02 0.00 2.13 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 2.33 2.55 0.00 137 L 8.23 3.96 0.00 1.78 1.92 1.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.36 4.07 0.00 3.13 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 0.00 139 R 8.12 3.65 0.00 2.20 1.90 0.00 3.15 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.72 0.00 140 K 8.21 3.83 0.00 2.00 1.94 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.45 7.81 141 D 8.29 4.36 0.00 2.86 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.53 3.52 1.56 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.31 0.39 0.00 0.00 143 A 7.98 3.69 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 0.00 144 A 7.92 4.01 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 0.00 145 K 7.78 4.05 0.00 1.96 1.92 0.00 1.70 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.66 1.62 7.81 146 Y 8.26 4.16 0.00 3.14 3.28 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 0.00 147 K 8.21 3.87 0.00 1.88 2.00 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.48 7.81 148 E 7.90 3.97 0.00 2.05 2.23 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 2.35 2.38 0.00 149 L 7.70 4.39 0.00 1.93 1.91 0.86 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.17 3.80 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 0.00 0.00 0.00 151 Y 7.80 4.49 0.00 2.65 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 0.00 152 Q 8.43 3.11 0.00 2.46 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 153 G 8.82 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 0.00 0.00 0.00