NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 D 4.4746 8.3649 120.1920 54.0646 42.2346 178.2663 32 D 4.6151 8.7940 121.4074 50.9592 41.1480 173.3550 33 P 4.2479 0.0000 0.0000 63.5282 32.5861 176.2438 34 T 4.4680 8.3545 110.9509 61.1741 69.8274 174.2085 35 N 4.6604 7.7434 120.2795 52.3041 38.4798 176.1038 36 L 3.9921 8.3408 119.1432 57.8285 41.9144 179.3736 37 E 4.0132 8.1368 116.6736 58.5578 29.4890 177.4709 38 S 4.5570 7.9006 113.8424 57.9850 62.7619 174.0745 39 A 4.1274 7.6022 125.0258 53.1560 18.7439 179.5311 40 L 3.8962 8.7323 120.0556 54.7285 40.1536 174.3423 41 I 3.9057 7.0684 118.9480 64.1465 36.8936 176.0445 42 G 4.0484 10.0909 115.1673 44.5854 0.0000 172.1782 43 K 4.8891 8.2119 118.6252 53.6915 36.4555 173.9075 44 P 4.9966 0.0000 0.0000 62.3609 32.0700 176.3724 45 V 3.5841 8.4105 122.1033 61.8114 31.3940 174.4892 46 P 4.3950 0.0000 0.0000 62.9311 31.9096 175.8825 47 K 4.4631 8.3994 119.9273 56.5184 33.0752 176.0623 48 F 4.9659 7.8343 117.2274 56.2174 41.8602 172.8077 49 R 4.9808 8.6754 118.6956 55.2036 32.2641 173.8623 50 L 5.1805 9.5020 126.4954 52.7821 45.9759 176.0873 51 E 3.8048 8.8668 123.2054 55.7990 31.0480 175.5729 52 S 4.6679 8.6732 121.0405 58.2639 62.5997 174.0123 53 L 4.0669 8.9325 129.6915 58.4267 42.0136 178.0970 54 D 4.4672 8.3639 118.0156 56.5060 41.0556 175.9361 55 N 4.8427 8.0989 118.5957 49.8496 38.1970 171.9551 56 P 4.3615 0.0000 0.0000 63.9616 32.0434 176.0431 57 G 4.1805 9.4387 109.6230 45.1894 0.0000 173.8278 58 Q 4.5430 7.6497 118.8011 54.7042 30.2441 175.3659 59 F 5.2389 8.7186 121.6845 56.0967 42.2841 174.0731 60 Y 4.9000 9.2609 117.3466 56.9277 42.9441 173.9904 61 Q 4.2769 8.7339 118.1962 53.2433 33.6792 176.6241 62 A 3.7685 7.3456 122.6698 55.4220 18.8654 179.4029 63 D 4.3751 8.2523 115.1863 56.6916 39.1663 179.2703 64 V 3.6306 8.1154 118.7427 65.1476 31.3072 176.3332 65 L 4.6547 8.4828 118.7520 54.7455 42.0855 176.5401 66 T 4.9888 7.9713 114.3610 62.6235 68.2231 173.9135 67 Q 4.5183 7.7860 117.2596 55.4793 29.9499 178.3589 68 G 4.0324 8.6226 106.1294 45.6990 0.0000 174.4434 69 K 4.6054 7.4812 118.1399 53.3472 36.0655 174.0285 70 P 4.5356 0.0000 0.0000 63.1333 32.0907 175.6758 71 V 4.9971 8.7110 119.6926 60.5118 35.4945 173.5275 72 L 5.4734 9.3934 122.0737 53.2209 44.4149 175.1537 73 L 5.1377 9.2802 125.3162 53.2991 44.9477 174.4246 74 N 5.5407 8.9835 124.9013 51.6755 41.8712 173.3306 75 V 4.4040 9.2037 128.7135 62.5139 32.5852 174.9328 76 W 5.4343 8.3109 123.6012 55.5336 32.0791 173.3658 77 A 3.9286 7.6098 120.3574 50.8641 21.1972 177.6702 78 T 3.5385 8.8756 110.5658 63.9295 68.9192 175.6057 79 W 4.4988 7.3623 116.8539 56.7015 28.7052 176.1262 80 C 4.7376 7.5444 121.4481 55.0010 43.3647 172.5188 81 P 4.2415 0.0000 0.0000 65.2203 31.5731 177.2989 82 T 4.5219 7.8674 106.1519 61.8269 69.4918 177.0928 83 C 4.5959 8.2750 121.9847 60.4611 37.4527 175.8796 84 R 3.8511 8.4155 119.0676 59.3613 29.5036 178.7441 85 A 4.1244 7.6635 118.1479 54.2179 18.5041 178.3534 86 E 4.4842 7.9769 114.2434 57.0019 30.2870 177.5544 87 H 4.0620 8.1127 120.9516 59.3820 29.9517 176.9402 88 Q 3.9359 7.9748 119.1089 59.1042 28.8550 177.2962 89 Y 4.1008 7.9201 120.4577 59.5521 38.9068 177.0965 90 L 3.7250 7.3990 121.9073 58.0626 42.1844 178.3787 91 N 4.0568 7.9388 116.4845 56.3129 38.2248 177.3475 92 Q 3.7770 7.4379 118.0942 58.9193 29.0536 178.6702 93 L 3.4722 7.0587 119.8661 57.5029 41.2586 179.5054 94 S 4.1600 7.8707 114.1802 60.5293 62.0393 175.7486 95 A 4.0664 7.6086 122.0153 53.6289 18.2743 177.8515 96 Q 4.2041 7.4203 115.3333 55.6384 28.7894 176.6953 97 G 3.9079 7.7081 105.8481 45.2581 0.0000 174.0401 98 I 3.3854 7.0490 121.5636 60.5833 37.5648 174.7843 99 R 4.5923 9.1278 126.5587 55.9251 31.5568 175.1035 100 V 5.0303 8.4233 125.1894 61.3183 35.2344 173.6341 101 V 4.7264 8.9075 128.1958 60.9376 33.8600 175.0124 102 G 3.8902 9.1757 116.1340 45.5404 0.0000 172.4760 103 M 4.3901 8.4774 123.2745 52.7289 32.0687 172.4781 104 N 3.1700 8.0596 118.8703 53.5897 40.5013 172.8631 105 Y 4.5989 7.9327 129.1449 56.3499 39.6422 176.0911 106 K 3.6374 7.7817 128.5761 57.6817 29.6820 172.3520 107 D 4.8877 7.0927 117.3718 52.4844 44.2661 174.1934 108 D 4.8228 8.2905 119.0473 52.6725 42.3967 175.9500 109 R 3.9559 8.9278 127.3935 60.0250 29.9018 177.9839 110 Q 3.9987 8.1060 118.3669 59.0100 29.1471 177.9535 111 K 4.0155 8.8779 119.7478 59.5331 32.1389 179.0232 112 A 4.2957 8.3394 121.0379 55.3258 18.2426 179.6455 113 I 3.7923 7.9905 118.2201 64.7419 37.2487 178.5280 114 S 4.1468 8.4218 113.9855 61.2383 62.3227 175.4617 115 W 4.1368 8.8938 131.2981 61.0733 30.4114 177.8892 116 L 4.0756 8.6680 118.5444 57.5536 40.8334 179.7413 117 K 3.9450 7.7475 119.0585 59.3768 32.2763 178.4350 118 E 4.0502 7.9537 116.7766 58.5331 29.8359 178.0065 119 L 4.1596 7.3557 116.9622 53.1021 42.6233 177.3896 120 G 3.8147 7.3724 105.4025 45.2585 0.0000 173.2693 121 N 4.6391 8.0052 118.8752 50.9497 38.7495 172.7378 122 P 4.1212 0.0000 0.0000 63.7604 31.8584 176.4841 123 Y 4.9345 7.1751 115.5243 56.2689 39.4184 175.2034 124 A 4.3901 8.7105 126.7352 54.7728 18.7088 177.6975 125 L 4.6152 7.6811 112.1726 55.3266 43.7858 173.3576 126 S 5.0214 9.3097 117.0016 56.7132 65.2359 173.6823 127 L 4.3357 8.8003 125.9199 54.7144 42.5680 176.6821 128 F 4.5375 8.9581 128.2910 56.3315 37.7800 175.3369 129 D 4.5758 7.9069 130.0450 53.1507 40.3806 177.8546 130 G 3.0874 6.9877 107.9927 47.2019 0.0000 173.5143 131 D 4.3560 7.8681 118.3943 53.4519 40.4236 177.7635 132 G 3.9404 8.2131 107.9067 46.1606 0.0000 175.1101 133 M 4.0248 7.9567 119.3452 58.2452 31.9676 178.4033 134 L 3.9423 8.5276 120.7516 57.9537 42.1921 178.8044 135 G 3.5012 8.4057 105.8190 47.9393 0.0000 175.0349 136 L 4.0227 8.0203 123.1770 58.0610 41.8466 178.8835 137 D 4.4225 8.1321 117.6595 56.8798 40.8226 177.8099 138 L 4.4055 7.7073 116.9371 54.2067 41.9087 177.2915 139 G 3.8942 7.6111 107.1378 46.0481 0.0000 173.7469 140 V 3.8469 7.8244 119.5325 61.9642 32.0375 174.8568 141 Y 4.4918 8.2606 127.3158 56.2855 40.6007 176.0928 142 G 3.9921 8.7710 117.5753 45.4560 0.0000 170.5586 143 A 4.5175 8.0975 120.0264 50.3909 22.0527 173.6745 144 P 5.0899 0.0000 0.0000 62.5472 33.0649 174.8903 145 E 5.0488 8.4412 119.1644 55.2044 33.6067 173.5805 146 T 5.1025 8.7609 120.9776 62.0249 72.2329 172.9778 147 F 5.4113 9.8410 125.6023 55.8924 42.0756 174.5572 148 L 5.2205 9.1136 124.6479 53.8785 43.7389 174.9829 149 I 4.9683 8.5420 127.7705 59.4679 40.1522 176.1664 150 D 4.8702 8.8941 127.0083 52.2331 40.8649 177.2066 151 G 3.6158 8.4922 106.6379 48.2428 0.0000 174.5738 152 N 4.6941 8.9027 117.3270 53.0014 38.5890 176.6254 153 G 3.9330 8.2037 106.5938 46.4127 0.0000 173.5309 154 I 4.3926 7.2475 121.8109 60.4637 38.0005 174.9977 155 I 4.4063 8.4947 126.8039 61.3229 37.5160 176.5932 156 R 4.4466 8.7336 125.4337 56.3136 32.2806 175.2388 157 Y 4.6448 7.8668 117.3727 57.1556 42.2927 172.9546 158 R 4.5368 6.9339 124.0503 55.5413 33.1634 173.3140 159 H 4.7027 8.9917 126.3816 54.1540 32.8988 171.8458 160 A 4.8308 7.5938 127.4633 51.0118 19.9189 176.4936 161 G 3.8491 8.4292 107.9953 44.1150 0.0000 173.1138 162 D 4.6870 8.3663 118.6089 54.0820 41.2953 176.4870 163 L 4.2929 9.0858 126.3595 54.9616 42.8315 176.1102 164 N 4.2728 8.1821 121.6456 50.4382 41.1941 173.6936 165 P 4.5313 0.0000 0.0000 65.2745 31.2370 178.5583 166 R 3.8568 8.0315 116.3933 59.4660 29.8891 178.6091 167 V 3.5687 8.4821 117.3871 65.9952 31.6102 178.0979 168 W 4.1985 8.5461 128.2535 60.4705 30.4045 177.6883 169 E 3.7916 8.5895 116.3850 59.4607 29.1038 178.7171 170 E 4.0305 8.5472 118.7818 58.6116 29.7228 178.0262 171 E 4.4054 8.1211 116.0465 57.7819 31.3781 178.0082 172 I 3.4970 7.0081 118.6582 63.2116 37.7071 177.7769 173 K 2.5627 7.2259 120.6265 58.8233 31.9339 177.0822 174 P 4.2423 0.0000 0.0000 65.1034 31.1859 178.3894 175 L 4.2037 7.5193 117.5533 56.9027 41.8239 178.8215 176 W 4.1507 8.1775 128.5629 60.4697 30.6817 177.9853 177 E 4.0741 8.4564 118.6540 59.2143 28.2304 179.0439 178 K 3.6968 7.8979 119.4186 59.4725 32.0156 177.5119 179 Y 4.2073 7.5109 112.9682 58.4351 38.2002 176.9652 180 S 4.3845 7.5830 118.7957 61.1203 63.6108 176.8770 181 K 4.1931 7.8651 125.2469 58.7095 32.0095 179.8253 182 E 4.5055 7.4656 118.1808 57.0792 29.2106 176.7121 183 A 4.2593 7.6281 126.2239 52.4278 19.4088 176.5109 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 31 D 8.36 4.47 0.00 2.64 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 0.00 0.00 0.00 32 D 8.79 4.62 0.00 2.75 2.60 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 33 P 0.00 4.25 0.00 2.03 2.09 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 34 T 8.35 4.47 4.24 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 1.28 0.00 0.00 35 N 7.74 4.66 0.00 2.87 2.96 0.00 0.00 6.22 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 36 L 8.34 3.99 0.00 1.74 1.75 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 37 E 8.14 4.01 0.00 1.89 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 2.25 2.18 0.00 38 S 7.90 4.56 0.00 3.99 3.87 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 39 A 7.60 4.13 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 40 L 8.73 3.90 0.00 2.00 1.92 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 41 I 7.07 3.91 1.89 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 1.36 0.74 0.95 0.00 0.00 42 G 10.09 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 0.00 0.00 0.00 43 K 8.21 4.89 0.00 1.78 1.88 0.00 1.33 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.36 7.81 44 P 0.00 5.00 0.00 2.10 2.09 0.00 3.80 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 1.99 1.97 0.00 45 V 8.41 3.58 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 0.74 0.00 0.00 1.04 0.00 0.00 46 P 0.00 4.40 0.00 2.12 2.08 0.00 3.61 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.12 0.00 47 K 8.40 4.46 0.00 1.65 1.70 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 48 F 7.83 4.97 0.00 3.16 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 R 8.68 4.98 0.00 1.99 1.90 0.00 3.14 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 50 L 9.50 5.18 0.00 1.84 1.61 0.68 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 51 E 8.87 3.80 0.00 1.49 1.71 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 2.08 1.54 0.00 52 S 8.67 4.67 0.00 4.06 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 53 L 8.93 4.07 0.00 1.83 1.91 0.95 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 54 D 8.36 4.47 0.00 2.73 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 55 N 8.10 4.84 0.00 2.92 2.96 0.00 0.00 7.04 7.68 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 56 P 0.00 4.36 0.00 2.04 1.97 0.00 3.65 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 2.00 2.03 0.00 57 G 9.44 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 58 Q 7.65 4.54 0.00 2.21 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.64 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 59 F 8.72 5.24 0.00 2.86 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 60 Y 9.26 4.90 0.00 3.07 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 61 Q 8.73 4.28 0.00 1.79 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.56 0.00 0.00 0.00 0.00 0.00 2.29 2.08 0.00 62 A 7.35 3.77 1.17 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 63 D 8.25 4.38 0.00 2.82 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 64 V 8.12 3.63 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 0.87 0.00 0.00 1.35 0.00 0.00 65 L 8.48 4.65 0.00 1.91 1.69 0.99 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 66 T 7.97 4.99 4.32 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 1.24 0.00 0.00 67 Q 7.79 4.52 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.83 0.00 0.00 0.00 0.00 0.00 2.53 2.44 0.00 68 G 8.62 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.48 4.61 0.00 1.76 1.55 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.31 1.34 7.81 70 P 0.00 4.54 0.00 1.13 1.71 0.00 3.46 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.30 0.00 71 V 8.71 5.00 2.17 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 0.82 0.00 0.00 1.08 0.00 0.00 72 L 9.39 5.47 0.00 2.06 1.79 1.48 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 73 L 9.28 5.14 0.00 1.75 1.62 0.90 -0.13 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 74 N 8.98 5.54 0.00 2.98 2.90 0.00 0.00 6.44 7.62 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 75 V 9.20 4.40 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.00 0.00 1.02 0.00 0.00 76 W 8.31 5.43 0.00 3.17 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 77 A 7.61 3.93 -0.18 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 78 T 8.88 3.54 4.33 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 1.19 0.00 0.00 79 W 7.36 4.50 0.00 3.45 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 80 C 7.54 4.74 0.00 2.34 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 81 P 0.00 4.24 0.00 2.17 2.19 0.00 3.85 0.00 0.00 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 82 T 7.87 4.52 4.67 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 1.28 0.00 0.00 83 C 8.27 4.60 0.00 3.30 3.50 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 84 R 8.42 3.85 0.00 1.92 1.94 0.00 3.18 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.95 0.00 85 A 7.66 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.98 4.48 0.00 2.37 2.44 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 2.43 2.45 0.00 87 H 8.11 4.06 0.00 3.15 3.16 0.00 5.58 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 Q 7.97 3.94 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 89 Y 7.92 4.10 0.00 3.01 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 90 L 7.40 3.72 0.00 1.75 1.32 0.88 0.67 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 91 N 7.94 4.06 0.00 2.82 2.68 0.00 0.00 7.04 7.22 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 92 Q 7.44 3.78 0.00 1.71 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 93 L 7.06 3.47 0.00 1.10 0.94 0.35 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 94 S 7.87 4.16 0.00 3.74 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 95 A 7.61 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 96 Q 7.42 4.20 0.00 1.80 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.64 0.00 0.00 0.00 0.00 0.00 2.20 2.22 0.00 97 G 7.71 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 98 I 7.05 3.39 1.32 0.00 0.00 -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 0.65 -0.06 -0.23 0.00 0.00 99 R 9.13 4.59 0.00 2.24 2.19 0.00 3.26 0.00 0.00 3.37 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.82 0.00 100 V 8.42 5.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.92 0.00 0.00 101 V 8.91 4.73 2.13 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 0.91 0.00 0.00 0.98 0.00 0.00 102 G 9.18 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 M 8.48 4.39 0.00 1.88 1.82 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 104 N 8.06 3.17 0.00 2.14 2.44 0.00 0.00 6.79 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 0.00 105 Y 7.93 4.60 0.00 2.77 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 0.00 106 K 7.78 3.64 0.00 1.36 1.57 0.00 1.20 0.00 0.00 1.32 0.00 0.00 2.79 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.10 1.03 7.81 107 D 7.09 4.89 0.00 2.29 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.29 4.82 0.00 2.88 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.93 3.96 0.00 1.32 1.78 0.00 2.97 0.00 0.00 3.00 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.24 0.00 110 Q 8.11 4.00 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 111 K 8.88 4.02 0.00 2.16 1.96 0.00 1.80 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.56 1.63 7.81 112 A 8.34 4.30 1.50 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 0.00 0.00 113 I 7.99 3.79 2.12 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.54 0.97 0.00 0.00 114 S 8.42 4.15 0.00 4.04 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 0.00 115 W 8.89 4.14 0.00 3.76 3.50 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 0.00 116 L 8.67 4.08 0.00 1.89 1.80 1.27 0.61 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 0.00 117 K 7.75 3.94 0.00 2.06 1.87 0.00 1.98 0.00 0.00 1.78 0.00 0.00 3.10 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.45 7.81 118 E 7.95 4.05 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.02 0.00 119 L 7.36 4.16 0.00 0.81 1.03 -0.81 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 120 G 7.37 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 0.00 0.00 0.00 121 N 8.01 4.64 0.00 2.65 2.71 0.00 0.00 7.06 7.69 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 0.00 122 P 0.00 4.12 0.00 1.23 1.72 0.00 2.81 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 1.38 0.00 123 Y 7.18 4.93 0.00 3.01 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 0.00 124 A 8.71 4.39 1.32 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 0.00 125 L 7.68 4.62 0.00 1.53 1.59 -0.11 0.41 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 0.00 126 S 9.31 5.02 0.00 3.92 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 0.00 127 L 8.80 4.34 0.00 1.39 1.51 0.65 0.81 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 0.00 128 F 8.96 4.54 0.00 2.94 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 0.00 129 D 7.91 4.58 0.00 2.54 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 G 6.99 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 0.00 0.00 0.00 131 D 7.87 4.36 0.00 2.76 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 0.00 132 G 8.21 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 0.00 133 M 7.96 4.02 0.00 2.16 2.14 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 2.63 2.57 0.00 134 L 8.53 3.94 0.00 1.51 1.53 0.75 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 135 G 8.41 3.50 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 0.00 0.00 0.00 136 L 8.02 4.02 0.00 2.14 1.81 1.01 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 137 D 8.13 4.42 0.00 2.83 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 0.00 138 L 7.71 4.41 0.00 1.72 1.74 0.55 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 139 G 7.61 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.82 3.85 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 0.34 0.00 0.00 0.97 0.00 0.00 141 Y 8.26 4.49 0.00 2.93 2.83 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 0.00 142 G 8.77 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 0.00 0.00 0.00 143 A 8.10 4.52 1.22 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 0.00 0.00 144 P 0.00 5.09 0.00 2.35 2.35 0.00 3.65 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.01 0.00 145 E 8.44 5.05 0.00 1.92 1.69 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 1.74 1.91 0.00 146 T 8.76 5.10 4.42 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 1.44 0.00 0.00 147 F 9.84 5.41 0.00 2.96 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 0.00 148 L 9.11 5.22 0.00 1.95 1.74 1.28 1.29 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 0.00 149 I 8.54 4.97 1.90 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 1.28 0.62 0.88 0.00 0.00 150 D 8.89 4.87 0.00 2.69 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 0.00 0.00 0.00 0.00 151 G 8.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 N 8.90 4.69 0.00 2.89 2.82 0.00 0.00 6.81 8.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 G 8.20 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 7.25 4.39 2.15 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.37 0.87 0.00 0.00 155 I 8.49 4.41 2.19 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.84 1.11 0.00 0.00 156 R 8.73 4.45 0.00 1.50 1.89 0.00 3.32 0.00 0.00 3.07 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.50 0.00 157 Y 7.87 4.64 0.00 3.13 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 0.00 158 R 6.93 4.54 0.00 1.65 1.45 0.00 3.21 0.00 0.00 3.33 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.73 0.00 159 H 8.99 4.70 0.00 3.41 3.33 0.00 5.82 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 0.00 160 A 7.59 4.83 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 G 8.43 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 0.00 0.00 0.00 162 D 8.37 4.69 0.00 2.74 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 0.00 163 L 9.09 4.29 0.00 1.88 1.72 1.10 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 164 N 8.18 4.27 0.00 2.73 2.77 0.00 0.00 6.27 7.76 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 0.00 165 P 0.00 4.53 0.00 2.04 2.05 0.00 3.54 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.06 0.00 166 R 8.03 3.86 0.00 2.04 1.94 0.00 3.15 0.00 0.00 3.26 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 167 V 8.48 3.57 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 1.03 0.00 0.00 0.93 0.00 0.00 168 W 8.55 4.20 0.00 3.64 3.42 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 0.00 169 E 8.59 3.79 0.00 2.12 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 2.55 2.34 0.00 170 E 8.55 4.03 0.00 2.16 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 2.33 2.33 0.00 171 E 8.12 4.41 0.00 1.83 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 0.00 2.28 2.45 0.00 172 I 7.01 3.50 1.56 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.79 0.90 0.00 0.00 173 K 7.23 2.56 0.00 0.79 1.23 0.00 1.46 0.00 0.00 1.70 0.00 0.00 3.16 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.33 7.81 174 P 0.00 4.24 0.00 2.11 2.01 0.00 3.33 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.05 0.00 175 L 7.52 4.20 0.00 1.82 1.86 0.90 1.05 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 0.00 176 W 8.18 4.15 0.00 3.53 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 0.00 177 E 8.46 4.07 0.00 2.08 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 2.46 2.58 0.00 178 K 7.90 3.70 0.00 1.78 1.69 0.00 1.39 0.00 0.00 1.05 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.45 1.13 7.81 179 Y 7.51 4.21 0.00 2.91 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 0.00 180 S 7.58 4.38 0.00 3.93 3.87 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 0.00 181 K 7.87 4.19 0.00 1.87 1.73 0.00 1.80 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.39 1.35 7.81 182 E 7.47 4.51 0.00 2.16 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 2.29 2.31 0.00 183 A 7.63 4.26 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