NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 V 4.1433 8.0393 117.9135 60.2858 33.7666 175.2567 16 R 4.1765 7.9122 117.6600 56.6336 30.6035 173.3443 17 S 5.1542 8.6179 113.4390 56.8726 66.3838 174.2786 18 V 4.7488 8.8095 123.6225 61.3088 35.7250 173.2766 19 K 5.0987 9.5240 128.7816 54.8851 34.2060 174.8362 20 V 4.9314 9.1290 127.8545 61.1798 34.2475 174.0383 21 V 4.7828 8.6050 128.1921 61.2210 33.5923 174.2017 22 L 4.8656 8.5635 128.5787 53.9168 42.7601 176.4727 23 V 4.0744 9.5854 122.9935 60.2664 35.2166 174.6629 24 G 3.9919 7.1324 114.6276 43.4354 0.0000 172.0644 25 D 4.8247 8.3650 120.1373 53.9594 41.4472 176.8477 26 G 3.6576 8.5990 111.1005 47.1903 0.0000 174.1683 27 G 3.9600 8.9384 110.9003 45.5990 0.0000 173.7535 28 C 4.2928 7.6117 113.6347 58.1296 30.4177 174.2917 29 G 4.1734 8.3844 109.7644 45.7869 0.0000 175.8546 30 K 3.9032 8.3541 120.2455 59.7760 32.1019 179.1452 31 T 4.0005 7.8974 115.2875 66.9479 68.4107 176.7468 32 S 4.1137 7.9805 116.5318 61.2545 62.9042 176.0862 33 L 3.9379 7.9908 123.1839 58.1708 41.8001 178.9623 34 L 3.7777 7.6364 119.6592 58.2711 41.8692 178.3612 35 M 3.8104 7.9087 118.6347 58.6474 31.7304 178.8568 36 V 3.6175 7.4109 116.6647 65.9329 31.8050 177.4188 37 F 4.2411 7.7994 118.6034 61.5979 39.2339 176.5815 38 A 3.7815 8.1695 121.6212 55.5038 18.3523 179.6321 39 D 4.4174 8.9120 122.6614 57.5669 40.0737 179.7339 *47 T 4.3210 7.3905 109.1362 60.4407 69.6963 177.6717 48 P 4.5771 0.0000 0.0000 61.6168 32.2263 176.4086 49 T 3.9837 8.2726 116.8350 63.3912 69.2246 174.2200 50 V 4.4275 7.9097 124.0513 60.9083 33.9034 173.9988 51 F 5.4061 8.9810 124.8731 55.8215 42.0794 174.0993 52 E 4.6024 9.8649 123.4891 54.4874 31.9247 174.7836 53 R 4.3780 7.9934 124.2456 54.3864 32.3165 174.1158 54 Y 4.4340 8.9547 126.6104 57.0315 40.8229 175.4500 55 M 4.7300 8.6057 124.4599 53.9164 32.2542 172.5370 56 V 4.3390 8.4020 125.4348 60.2008 34.5105 174.1073 57 N 5.2626 8.5942 124.7163 52.2464 39.8928 174.1493 58 L 4.9137 8.7689 124.0956 53.4346 46.4257 174.7581 59 Q 4.9696 8.6885 122.5078 54.4697 30.2651 175.3605 60 V 4.1465 9.4077 126.7784 63.3981 34.7736 176.6283 61 K 4.0449 9.3920 127.1376 55.5866 28.3096 172.0375 62 G 4.1925 8.3342 112.7128 44.9096 0.0000 172.4794 63 K 4.7129 8.2980 118.1916 53.5456 35.4833 173.4288 64 P 5.0571 0.0000 0.0000 62.6846 32.8066 175.6413 65 V 4.6785 8.8349 121.3438 61.6745 35.5336 173.6742 66 H 5.0859 8.8068 125.0619 55.3180 29.9904 174.2870 67 L 5.1034 9.2364 124.5706 54.0120 43.7593 175.5644 68 H 5.0628 9.4643 120.7789 54.3751 31.2643 172.9593 69 I 5.0657 8.8448 125.5958 59.4075 39.6007 174.8689 70 W 5.3365 9.4590 127.4289 55.1768 31.3423 174.7632 71 D 5.2093 9.4182 123.2880 52.2360 44.6630 175.6579 72 T 5.0908 8.2318 122.0603 63.2227 68.5572 175.9739 *88 D 4.6565 8.0453 121.1714 53.0552 42.6258 178.2269 89 A 4.3726 7.6936 122.0247 51.9129 19.4721 176.6834 90 S 5.3484 8.3250 116.6178 57.1970 67.7144 173.6346 91 V 4.5464 8.2135 117.3259 61.0648 34.8376 171.7929 92 L 5.1483 8.9807 123.5773 53.0656 44.5779 175.4083 93 L 4.8617 8.7694 124.2565 53.0273 43.5398 176.0178 94 L 4.5877 8.6531 126.1962 54.3496 42.2837 176.0017 95 C 5.2383 9.0149 122.9115 58.2365 30.0111 173.5393 96 F 5.1233 8.4509 116.2968 55.2904 41.9383 172.7614 97 D 4.9085 8.9068 120.2689 53.7061 41.7551 177.8912 98 V 3.9591 8.8435 120.2247 63.9990 31.7763 177.5572 99 T 4.3545 8.5434 108.8782 61.2642 68.9339 175.1138 100 S 4.6376 7.8188 118.7136 55.3198 62.3131 172.0551 101 P 4.4034 0.0000 0.0000 65.2848 31.1053 177.6548 102 N 4.3894 8.2547 115.1081 56.4257 38.3715 177.2589 103 S 4.7763 7.6572 114.9617 60.9408 63.1320 176.0953 104 F 3.9865 8.2301 123.9493 61.1989 39.1048 176.4908 105 D 4.2019 8.3967 118.6175 57.8588 40.6716 178.9796 106 N 4.4327 8.4745 115.6635 55.2345 38.5009 177.5249 107 I 4.0344 7.9440 122.5246 64.4868 37.0334 178.0486 108 F 4.1012 7.9138 119.3349 61.3545 39.5374 176.6656 109 N 4.5812 8.4648 114.8050 55.0143 38.8408 175.8931 110 R 4.1342 7.5519 117.5124 56.6843 32.7789 176.8029 111 W 4.6959 8.3119 117.6086 59.1900 29.2999 177.9584 112 Y 4.3518 8.5799 119.9508 60.4000 38.1136 176.5820 113 P 3.7964 0.0000 0.0000 65.4399 31.4732 178.0736 114 E 3.9970 7.7232 118.7382 60.5224 29.5615 180.8179 115 V 3.7515 8.2210 119.4007 66.0214 31.4654 179.7184 116 N 4.5371 8.1925 117.1545 56.8063 38.7664 176.1819 117 H 4.2460 8.4579 122.2306 59.7906 30.0651 177.5999 *118 F 4.1376 7.9604 122.3316 62.1217 37.5091 178.9506 119 C 4.5302 8.4297 117.7159 58.0311 28.3016 178.3261 *120 K 3.6332 8.6098 123.5706 56.4063 30.8261 183.3753 *121 K 4.4574 9.0188 116.6837 54.9637 31.2599 178.6039 122 V 4.5273 7.0700 121.0646 60.5265 34.1206 174.6004 123 P 4.5490 0.0000 0.0000 62.6617 32.8722 175.0600 124 I 4.9889 8.3749 123.2608 59.6227 40.3004 174.3429 125 I 4.8320 8.6546 127.6174 59.4340 40.2208 174.7550 126 V 4.6150 8.6098 127.1623 62.1006 33.2091 174.6395 127 V 4.4418 8.8057 128.1339 60.8949 34.1742 174.2929 128 G 3.3291 8.5335 116.3908 45.3041 0.0000 172.6539 129 C 4.9023 8.8351 123.8656 57.8902 31.5873 173.6361 130 K 4.2779 8.7284 115.6107 57.0225 28.6721 178.0957 131 T 3.9003 7.6772 110.8067 64.4113 68.0282 174.6608 132 D 4.4341 8.0834 121.9272 56.1648 39.4652 177.6159 133 L 4.2820 8.2048 119.3572 55.9909 41.5307 179.0363 134 R 3.9633 7.4808 117.7460 59.2234 30.1055 178.1703 135 K 3.9441 7.5798 115.9812 58.9480 32.5843 176.9546 136 D 4.3812 7.8063 117.9071 54.2664 41.5443 176.7673 137 K 4.0746 8.6162 128.3957 59.1669 32.1542 179.5474 138 S 4.0791 8.0647 114.2338 61.3728 63.0593 176.1310 139 L 3.8965 8.0861 124.6222 57.5401 41.7947 178.7502 140 V 3.5598 7.5894 117.7976 66.3415 31.3862 177.5423 141 N 4.1954 8.3037 116.5957 56.5136 38.5671 176.7928 142 K 3.9838 8.4909 120.6617 59.4112 32.5116 178.3611 143 L 4.0663 8.6390 119.7294 58.0025 41.4435 179.2375 144 R 4.1404 8.8731 122.8349 59.6908 29.6773 179.3879 145 R 4.0762 8.0698 119.3195 60.3538 29.3993 180.5053 146 N 5.1083 8.0465 113.9504 53.1425 39.3276 176.3008 147 G 3.8830 7.7471 108.1219 45.6463 0.0000 174.2160 148 L 4.5246 7.2811 119.9675 53.7690 43.7118 174.5440 149 E 4.8214 7.9861 117.6044 54.5161 32.1858 172.8171 150 P 4.5548 0.0000 0.0000 62.3572 32.3276 176.2749 151 V 3.6232 8.2216 124.5214 63.1298 31.8176 176.0076 152 T 4.3531 8.3492 118.1345 60.9791 70.8046 174.9194 153 Y 4.2981 8.9653 123.9955 60.6621 38.6251 177.7987 154 H 4.1834 8.5210 118.1855 59.5639 29.8862 176.9493 155 R 3.8794 7.6815 119.0272 59.2519 29.8953 178.4812 156 G 3.0838 8.0026 105.9161 47.6143 0.0000 175.4178 157 Q 3.5970 7.4220 121.6393 58.7778 29.0642 177.8149 158 E 3.8240 7.8227 119.6432 59.7472 29.3739 178.8142 159 M 3.7553 8.0318 117.6945 58.7527 32.1105 177.9340 160 A 4.0416 7.8104 120.4362 55.4180 18.5929 179.7413 161 R 3.8578 8.0273 116.6471 59.3651 30.0101 178.9160 162 S 4.4440 7.9125 110.8965 59.3856 63.3305 174.6435 163 V 2.7939 6.8611 121.0742 61.6175 31.7064 175.2808 164 G 3.8721 7.8674 105.0993 46.7927 0.0000 174.1918 165 A 4.3086 7.8858 122.0567 51.5530 18.9059 179.2552 166 V 3.9005 8.9875 121.4442 65.4375 32.3100 175.4802 167 A 4.5747 7.5080 119.8323 51.5339 22.5609 174.1264 168 Y 5.2333 8.5671 119.6969 55.9614 41.5864 174.5369 169 L 4.6762 7.9270 124.6678 53.0238 46.3518 175.0818 170 E 5.0229 8.1567 118.3956 55.2079 34.3851 174.2605 171 C 4.6514 8.4442 115.5634 57.5517 33.8968 172.5609 172 S 4.7998 8.7431 113.9251 56.3918 63.9576 174.7168 173 A 3.9795 8.7601 130.9834 55.0155 18.7287 179.2693 174 R 3.8836 8.1253 115.4092 59.2838 30.2182 177.1085 175 L 4.5064 7.6889 114.6048 53.8876 41.9005 176.2447 176 H 3.9168 7.5808 114.9247 56.8740 26.9559 175.2298 177 D 4.5838 8.3682 119.8548 53.6395 41.7141 175.2930 178 N 4.3449 8.8861 124.0388 54.7725 37.4816 176.0510 179 V 3.5874 7.8111 117.6453 66.1612 31.6740 177.5973 180 H 4.2549 8.4124 115.2850 58.8167 28.4922 177.3788 181 A 3.9946 8.0829 122.1426 55.1028 18.1753 179.4598 182 V 3.2926 7.4661 116.1854 66.3306 31.5594 178.2025 183 F 3.9606 7.6114 116.3793 59.5909 38.6033 178.0674 184 Q 4.0654 8.2571 118.4801 58.7951 28.5882 178.0933 185 E 3.8960 8.4400 119.6798 59.3752 29.4576 178.8599 186 A 3.8824 7.9803 120.5690 55.4146 18.3726 179.3711 187 A 3.9820 8.0746 118.4905 55.4306 18.4375 179.5754 188 E 3.9079 8.3795 117.0933 59.6072 29.4101 179.6843 189 V 3.6673 8.5625 119.4669 65.3808 31.3480 177.8104 190 A 4.1602 8.0709 119.2363 55.3950 18.3303 179.3782 191 L 4.1401 7.8763 116.4622 57.7255 41.8144 179.5893 192 S 4.3075 8.5735 114.4275 60.1483 62.6842 174.5464 193 S 4.3497 7.6534 121.6703 58.2818 62.8527 173.6541 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 15 V 8.04 4.14 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 0.96 0.00 0.00 0.93 0.00 0.00 16 R 7.91 4.18 0.00 1.99 2.13 0.00 2.87 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 17 S 8.62 5.15 0.00 3.90 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 18 V 8.81 4.75 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 1.06 0.00 0.00 0.99 0.00 0.00 19 K 9.52 5.10 0.00 1.91 1.81 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.48 1.67 7.81 20 V 9.13 4.93 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 1.09 0.00 0.00 1.09 0.00 0.00 21 V 8.60 4.78 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 1.06 0.00 0.00 0.93 0.00 0.00 22 L 8.56 4.87 0.00 1.64 1.57 1.00 0.91 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 23 V 9.59 4.07 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.85 0.00 0.00 24 G 7.13 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 25 D 8.37 4.82 0.00 2.99 2.78 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 26 G 8.60 3.66 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 27 G 8.94 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 C 7.61 4.29 0.00 3.23 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 29 G 8.38 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 30 K 8.35 3.90 0.00 1.80 1.87 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.49 7.81 31 T 7.90 4.00 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 32 S 7.98 4.11 0.00 4.00 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 33 L 7.99 3.94 0.00 1.96 1.90 0.87 0.15 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 34 L 7.64 3.78 0.00 1.78 1.23 0.65 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 35 M 7.91 3.81 0.00 2.02 2.18 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.89 0.00 36 V 7.41 3.62 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 0.63 0.00 0.00 0.81 0.00 0.00 37 F 7.80 4.24 0.00 2.81 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 38 A 8.17 3.78 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.91 4.42 0.00 2.67 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 *47 T 7.39 4.32 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 1.21 0.00 0.00 48 P 0.00 4.58 0.00 2.20 2.11 0.00 3.74 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 2.01 0.00 49 T 8.27 3.98 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 0.42 0.00 0.00 50 V 7.91 4.43 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 1.07 0.00 0.00 0.92 0.00 0.00 51 F 8.98 5.41 0.00 3.27 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 52 E 9.86 4.60 0.00 1.96 1.70 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 2.12 2.20 0.00 53 R 7.99 4.38 0.00 0.67 1.06 0.00 3.08 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.50 0.00 54 Y 8.95 4.43 0.00 2.89 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 M 8.61 4.73 0.00 1.79 1.89 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.09 0.00 56 V 8.40 4.34 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 0.30 0.00 0.00 0.79 0.00 0.00 57 N 8.59 5.26 0.00 2.58 2.67 0.00 0.00 6.72 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.77 4.91 0.00 1.95 1.56 0.92 0.46 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 59 Q 8.69 4.97 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.46 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 60 V 9.41 4.15 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 0.99 0.00 0.00 0.99 0.00 0.00 61 K 9.39 4.04 0.00 1.89 1.90 0.00 1.85 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.00 7.81 62 G 8.33 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.30 4.71 0.00 1.83 1.68 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.33 1.20 7.81 64 P 0.00 5.06 0.00 2.03 2.02 0.00 3.71 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 1.97 1.95 0.00 65 V 8.83 4.68 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 1.04 0.00 0.00 0.97 0.00 0.00 66 H 8.81 5.09 0.00 3.17 3.28 0.00 5.66 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 9.24 5.10 0.00 1.95 1.70 1.04 1.12 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 68 H 9.46 5.06 0.00 3.20 3.28 0.00 5.60 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.84 5.07 1.97 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 1.42 0.91 1.07 0.00 0.00 70 W 9.46 5.34 0.00 3.35 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 71 D 9.42 5.21 0.00 2.92 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 72 T 8.23 5.09 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 *88 D 8.05 4.66 0.00 2.72 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 89 A 7.69 4.37 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 90 S 8.33 5.35 0.00 3.71 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 91 V 8.21 4.55 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 0.78 0.00 0.00 0.98 0.00 0.00 92 L 8.98 5.15 0.00 1.71 1.60 0.96 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.77 4.86 0.00 1.46 1.44 0.46 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 94 L 8.65 4.59 0.00 1.70 1.70 1.09 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 95 C 9.01 5.24 0.00 2.80 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 96 F 8.45 5.12 0.00 3.16 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 97 D 8.91 4.91 0.00 2.85 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 98 V 8.84 3.96 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 0.73 0.00 0.00 0.97 0.00 0.00 99 T 8.54 4.35 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 100 S 7.82 4.64 0.00 3.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 P 0.00 4.40 0.00 2.25 2.17 0.00 3.70 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 102 N 8.25 4.39 0.00 2.80 2.94 0.00 0.00 6.91 7.57 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 0.00 103 S 7.66 4.78 0.00 4.28 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 0.00 104 F 8.23 3.99 0.00 2.75 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.40 4.20 0.00 3.00 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 0.00 106 N 8.47 4.43 0.00 3.13 2.93 0.00 0.00 7.05 6.82 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 0.00 107 I 7.94 4.03 1.83 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.88 1.01 0.00 0.00 108 F 7.91 4.10 0.00 2.78 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 0.00 109 N 8.46 4.58 0.00 2.70 2.84 0.00 0.00 6.78 7.77 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 0.00 110 R 7.55 4.13 0.00 1.49 1.58 0.00 2.54 0.00 0.00 2.83 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.64 0.50 0.00 111 W 8.31 4.70 0.00 3.63 3.22 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 0.00 112 Y 8.58 4.35 0.00 2.91 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 0.00 113 P 0.00 3.80 0.00 2.03 1.86 0.00 3.68 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 2.08 1.92 0.00 114 E 7.72 4.00 0.00 2.50 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 0.00 2.34 2.22 0.00 115 V 8.22 3.75 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 0.78 0.00 0.00 0.93 0.00 0.00 116 N 8.19 4.54 0.00 2.37 2.55 0.00 0.00 7.20 7.43 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 0.00 117 H 8.46 4.25 0.00 3.07 3.37 0.00 6.01 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *118 F 7.96 4.14 0.00 2.41 2.16 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 0.00 119 C 8.43 4.53 0.00 3.10 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *120 K 8.61 3.63 0.00 1.88 1.15 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.27 0.98 7.81 *121 K 9.02 4.46 0.00 1.76 1.67 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.31 0.98 7.81 122 V 7.07 4.53 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 0.95 0.00 0.00 0.97 0.00 0.00 123 P 0.00 4.55 0.00 2.12 1.96 0.00 3.74 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 2.20 2.13 0.00 124 I 8.37 4.99 1.91 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 1.34 0.99 0.95 0.00 0.00 125 I 8.65 4.83 1.79 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.96 0.86 0.00 0.00 126 V 8.61 4.61 2.40 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 1.46 0.00 0.00 1.05 0.00 0.00 127 V 8.81 4.44 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 0.00 0.00 0.69 0.00 0.00 128 G 8.53 3.33 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 0.00 129 C 8.84 4.90 0.00 2.90 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 0.00 130 K 8.73 4.28 0.00 1.96 1.87 0.00 2.05 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.40 1.34 7.81 131 T 7.68 3.90 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 1.21 0.00 0.00 132 D 8.08 4.43 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 0.00 133 L 8.20 4.28 0.00 1.83 1.75 0.93 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 134 R 7.48 3.96 0.00 1.82 2.01 0.00 3.20 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 1.68 1.82 0.00 135 K 7.58 3.94 0.00 2.23 1.88 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.48 1.25 7.81 136 D 7.81 4.38 0.00 2.76 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 0.00 137 K 8.62 4.07 0.00 1.84 1.84 0.00 1.72 0.00 0.00 1.87 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.66 7.81 138 S 8.06 4.08 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 0.00 139 L 8.09 3.90 0.00 1.92 1.71 0.94 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 140 V 7.59 3.56 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 0.94 0.00 0.00 1.00 0.00 0.00 141 N 8.30 4.20 0.00 2.98 2.99 0.00 0.00 6.91 6.27 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 0.00 142 K 8.49 3.98 0.00 1.87 1.95 0.00 1.87 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.49 7.81 143 L 8.64 4.07 0.00 1.94 1.70 0.99 1.09 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 0.00 144 R 8.87 4.14 0.00 1.99 2.11 0.00 3.25 0.00 0.00 3.30 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.40 0.00 145 R 8.07 4.08 0.00 1.97 1.83 0.00 3.30 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.54 0.00 146 N 8.05 5.11 0.00 2.69 2.85 0.00 0.00 7.06 7.20 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 0.00 147 G 7.75 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 L 7.28 4.52 0.00 1.73 1.64 0.95 0.78 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 0.00 149 E 7.99 4.82 0.00 2.14 1.75 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 2.20 1.89 0.00 150 P 0.00 4.55 0.00 1.97 1.97 0.00 3.73 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 2.03 2.09 0.00 151 V 8.22 3.62 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 -0.24 0.00 0.00 0.46 0.00 0.00 152 T 8.35 4.35 4.30 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 1.22 0.00 0.00 153 Y 8.97 4.30 0.00 3.12 3.06 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 0.00 0.00 0.00 154 H 8.52 4.18 0.00 3.36 3.35 0.00 5.92 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 0.00 155 R 7.68 3.88 0.00 1.93 1.92 0.00 3.07 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.69 0.00 156 G 8.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 A 7.89 4.31 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 0.00 166 V 8.99 3.90 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 0.76 0.00 0.00 0.95 0.00 0.00 167 A 7.51 4.57 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 0.00 168 Y 8.57 5.23 0.00 2.88 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 0.00 169 L 7.93 4.68 0.00 1.28 1.25 0.77 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 170 E 8.16 5.02 0.00 1.86 1.72 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 2.17 1.98 0.00 171 C 8.44 4.65 0.00 3.02 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 S 8.74 4.80 0.00 3.88 3.72 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 0.00 173 A 8.76 3.98 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 0.00 174 R 8.13 3.88 0.00 1.77 1.98 0.00 3.29 0.00 0.00 3.24 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 175 L 7.69 4.51 0.00 1.65 1.68 0.93 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 176 H 7.58 3.92 0.00 3.12 3.37 0.00 5.83 0.00 0.00 0.00 0.00 8.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177 D 8.37 4.58 0.00 2.73 2.56 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 0.00 0.00 0.00 178 N 8.89 4.34 0.00 3.02 2.98 0.00 0.00 6.79 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 0.00 179 V 7.81 3.59 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 1.13 0.00 0.00 0.96 0.00 0.00 180 H 8.41 4.25 0.00 3.31 3.50 0.00 5.68 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 0.00 181 A 8.08 3.99 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 0.00 182 V 7.47 3.29 1.77 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 0.53 0.00 0.00 0.80 0.00 0.00 183 F 7.61 3.96 0.00 2.25 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 0.00 184 Q 8.26 4.07 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 185 E 8.44 3.90 0.00 2.13 1.94 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 2.31 2.44 0.00 186 A 7.98 3.88 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 0.00 187 A 8.07 3.98 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 0.00 188 E 8.38 3.91 0.00 2.23 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 2.35 2.35 0.00 189 V 8.56 3.67 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 1.27 0.00 0.00 0.95 0.00 0.00 190 A 8.07 4.16 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 191 L 7.88 4.14 0.00 1.67 1.76 0.98 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 192 S 8.57 4.31 0.00 4.05 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 0.00 193 S 7.65 4.35 0.00 3.95 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 * Residues marked with a * may have inaccurate shift predictions.