NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 G 3.8459 8.3393 109.7365 44.9185 0.0000 173.5886 6 P 4.4716 0.0000 0.0000 59.6324 33.2260 173.0275 7 T 4.5098 7.9108 108.8164 58.7616 70.8797 173.8992 8 P 4.3781 0.0000 0.0000 63.1022 31.8831 176.0818 9 Q 4.3907 8.3323 118.3645 55.3550 32.3481 173.3450 10 Q 4.5776 8.7088 124.5875 54.5436 30.6488 174.1325 11 H 4.8723 8.4482 121.1949 53.3695 31.2835 172.5386 12 D 4.1478 8.1363 119.9614 53.0597 41.2368 175.8581 13 G 4.0734 7.8799 106.0147 46.7989 0.0000 174.0425 14 S 5.0350 8.0242 109.8419 57.4723 64.5254 174.8399 15 A 4.6024 7.8900 122.3685 51.8029 19.0953 176.2473 16 L 4.7057 7.5755 117.1131 54.4838 43.2500 176.2105 17 R 4.7684 9.2390 121.5818 54.9576 32.7959 173.9815 18 I 5.0295 8.8820 127.8902 59.6154 40.0246 174.9803 19 G 3.5490 8.3754 113.1198 44.1000 0.0000 172.0838 20 I 5.0774 8.7346 125.2938 59.2871 41.0266 174.6506 21 V 4.9420 8.7821 126.2059 61.2907 34.4321 173.8490 22 H 5.5151 8.8535 122.7507 53.7022 31.8516 173.3840 23 A 5.0658 8.7245 122.8361 51.1950 19.8055 177.3462 24 R 4.6690 8.7418 115.6851 55.8945 31.2605 177.2278 25 W 4.1410 8.5051 119.8374 57.5924 30.2647 175.6980 26 N 4.2844 8.9156 117.9353 54.3855 35.3541 175.8312 27 E 4.0127 8.1864 119.5666 59.8601 29.7335 178.9493 28 T 4.0060 7.9731 107.8133 63.8857 69.0173 175.2556 29 I 4.2465 7.8248 122.6665 62.8905 38.2878 177.7766 30 I 3.7551 7.5813 120.2108 64.2801 37.0361 177.6616 31 E 3.9001 8.5024 120.4117 59.0678 29.5143 177.0100 32 P 4.2590 0.0000 0.0000 65.6071 31.2950 178.4903 33 L 3.9789 7.7702 117.1683 57.7119 41.6280 178.9863 34 L 3.9368 8.6682 120.2806 58.2805 41.8573 178.8498 35 A 4.0487 8.6074 120.8360 55.3388 18.3487 179.8802 36 G 3.4513 8.0284 104.0192 48.0990 0.0000 175.8347 37 T 4.0091 8.1096 115.6981 64.7495 67.4176 176.2472 38 K 3.9093 8.5525 121.8264 59.6325 32.1980 177.9806 39 A 3.9236 8.2774 121.0802 55.7398 18.0242 179.6861 40 K 4.0336 8.0543 116.0187 59.3015 32.3447 179.4666 41 L 4.1386 7.7708 119.2599 57.7910 41.4940 179.2336 42 L 4.2049 8.1799 119.7991 57.3656 41.4646 179.4813 43 A 3.4735 8.1973 119.3982 54.8658 18.2359 178.3828 44 C 4.5333 8.0430 113.0348 59.4584 28.9764 174.5887 45 G 3.9647 9.0298 111.5126 44.8205 0.0000 173.8168 46 V 4.1426 7.4476 119.9668 61.7791 32.2282 175.2611 47 K 4.3292 8.6528 127.0368 56.0802 32.7342 177.2260 48 E 3.7914 9.1908 125.0350 59.5731 29.5071 179.0398 49 S 4.2653 8.0252 110.7797 60.3124 63.6918 174.1634 50 N 4.8083 9.0141 119.4557 53.0839 38.3442 173.9591 51 I 4.9060 7.3919 120.3628 59.7449 38.7117 175.1729 52 V 4.2625 8.7624 128.3206 61.7194 33.3589 175.1919 53 V 4.8927 8.3437 126.2619 61.6939 33.9460 174.0151 54 Q 4.9573 9.2318 126.9669 54.0447 32.8043 174.5151 55 S 5.0971 8.4277 114.1584 56.9425 66.6804 172.9698 56 V 4.5264 8.3757 112.0412 59.3137 36.0778 174.2027 57 P 4.3204 0.0000 0.0000 65.4227 31.7805 176.9392 58 G 4.7007 8.5581 107.9809 42.2553 0.0000 173.7675 59 S 4.1569 8.4333 114.0460 61.0575 62.9724 176.8812 60 W 4.0492 8.2889 129.2424 60.3845 30.6512 177.2320 61 E 4.1979 8.3489 116.9650 58.3857 28.8140 178.3987 62 L 3.8930 7.9247 120.1448 57.5457 41.6201 177.4550 63 P 4.1220 0.0000 0.0000 66.1591 31.2004 178.1458 64 I 3.5610 7.5523 118.0428 63.4248 37.8434 177.5032 65 A 3.9948 8.3749 122.0954 55.1819 18.2175 179.8235 66 V 3.4865 8.2061 117.2578 65.9967 31.5767 178.0012 67 Q 3.9955 8.3071 119.5647 59.4289 28.8901 178.6159 68 R 4.0386 8.1523 119.0551 58.7778 30.1216 178.6497 69 L 3.9948 8.2476 120.5537 58.3844 42.2752 178.3099 70 Y 4.4212 8.0832 119.3241 60.9556 38.5441 177.7360 71 S 4.0094 8.0369 112.3971 61.5429 62.6521 175.9086 72 A 4.1023 8.3621 123.6076 55.3350 18.3412 179.5789 73 S 4.0487 8.1153 112.6446 61.8319 62.3078 176.9880 74 Q 3.8602 7.3606 120.3380 58.7551 28.5755 178.1624 75 L 4.0605 7.5469 118.5852 56.8107 42.0063 178.3841 76 Q 4.5466 7.6935 122.3291 55.0309 27.3242 179.0202 *107 S 4.0425 8.6669 124.1411 59.9428 63.3942 173.3244 108 T 3.0627 9.6553 113.5127 62.8580 68.9040 172.0416 109 G 3.7914 8.5482 109.0680 45.0594 0.0000 171.7849 110 P 4.4708 0.0000 0.0000 61.9234 31.5955 176.2583 111 F 4.5341 8.3670 119.8085 58.6062 39.4205 174.9338 112 D 4.9015 9.3291 122.6829 55.8786 42.2826 176.0949 113 A 4.7356 7.7595 118.0013 50.9287 22.5950 175.1039 114 L 5.2029 8.9655 119.5613 52.9693 46.2959 175.7939 115 I 4.8835 8.5645 121.0006 59.5334 41.2815 174.1157 116 A 4.9975 8.6558 128.7762 50.2224 21.2509 175.1462 117 I 5.0885 8.1081 124.0819 58.8192 39.9354 175.3528 118 G 4.4211 8.1844 112.3995 45.0442 0.0000 171.9274 119 V 4.8469 8.2747 119.5943 61.1816 33.8652 174.1288 120 L 4.8165 9.4492 129.1409 53.4123 43.6992 176.0326 121 I 4.9127 8.2686 123.0729 58.8570 40.6093 175.1279 122 K 3.0264 7.5844 128.1951 56.8794 31.9915 176.6233 123 G 4.2059 8.5732 118.0096 45.7272 0.0000 173.9569 124 E 4.2809 8.8520 119.7282 57.1217 30.4525 175.5341 125 T 4.6643 7.5418 107.7907 60.1854 71.4959 174.3276 126 M 4.9503 8.4245 120.4243 55.4082 31.9397 177.3256 127 H 4.1299 8.3540 121.0490 59.5786 29.9290 176.2858 128 F 4.0973 8.5034 121.8247 61.7321 39.1289 176.8604 129 E 3.4917 8.1383 116.2561 59.5713 28.9132 178.4754 130 Y 4.1578 7.7684 117.4881 60.4244 37.7805 178.2383 131 I 4.0739 7.7345 120.8400 63.9028 37.3416 178.0594 132 A 3.8381 7.7483 121.6705 55.2052 18.1860 179.2182 133 D 4.2321 7.9236 116.5297 57.5924 41.2882 178.6835 134 S 4.1661 7.8774 114.6882 61.4695 62.8176 176.7863 135 V 3.4419 8.1446 121.3897 65.8622 31.2200 178.1817 136 S 4.1365 8.2242 114.9583 62.1619 62.6631 176.4842 137 H 4.1194 8.3085 118.8251 58.5171 28.3804 178.0747 138 G 3.5399 8.4458 107.9590 47.8999 0.0000 175.7514 139 L 3.9412 8.0814 122.1572 57.5364 41.6798 179.1682 140 M 3.9135 8.0299 118.1670 58.5174 31.9336 178.3787 141 R 3.7403 8.1176 119.0590 59.5096 30.3043 178.4289 142 V 3.3643 7.7598 118.0632 66.1894 31.2442 177.5428 143 Q 4.1068 7.9911 120.3331 58.8310 28.7381 178.4093 144 L 3.9173 7.6334 118.9828 57.6207 41.7076 179.1038 145 D 4.4430 8.5674 118.8251 57.8466 40.7110 178.6163 146 T 4.0340 8.2787 113.6117 62.8373 67.0341 175.9395 147 G 3.8035 8.0685 107.7081 45.4448 0.0000 172.9111 148 V 4.3091 6.7765 120.0325 59.6062 33.6075 173.1350 149 P 4.4441 0.0000 0.0000 63.0273 32.4636 175.3281 150 V 4.6485 8.1767 123.5970 60.7744 33.6252 174.9511 151 I 3.7149 9.0460 130.7773 61.5190 38.0335 176.0659 152 F 4.7861 8.8424 130.3746 56.7375 38.0486 175.3103 153 G 2.0000 7.8845 117.7173 44.7101 0.0000 170.4244 154 V 4.5465 5.8142 119.4003 60.5584 33.5143 174.6973 155 L 4.6528 8.8547 128.8020 53.7875 43.4947 175.9346 156 T 5.0805 8.6774 114.3759 59.8147 68.6056 173.3276 157 V 4.3727 8.9714 130.5705 62.3179 34.0917 175.6029 158 L 4.3037 9.2787 123.1044 55.0616 43.3434 177.2298 159 T 4.7008 7.4916 107.0870 58.6983 72.1245 174.0662 160 D 4.3884 9.0093 123.5331 58.1748 40.8567 179.0688 161 D 4.3853 8.1904 118.3503 57.6624 40.7833 178.9074 162 Q 4.0091 8.1178 118.0848 58.7436 28.4684 178.6158 163 A 3.9990 7.8144 120.1525 55.2254 18.8512 179.1186 164 K 3.9670 8.1969 116.6561 59.6680 32.2978 179.2636 165 A 3.9756 8.4845 121.0576 55.4262 18.3447 179.8475 166 R 3.9152 8.2648 115.3837 57.9961 30.2681 177.8744 167 A 4.3885 7.8160 119.8808 51.1755 19.1508 178.5228 168 G 3.9699 7.7747 105.5273 44.5673 0.0000 175.4215 169 V 3.5533 7.2075 118.3961 65.9313 31.7222 176.4049 170 I 3.7068 7.7103 124.8617 62.2491 36.4576 175.2645 171 E 3.7387 8.1101 124.1166 56.4556 28.6602 178.2887 172 G 3.9646 8.9706 113.1839 45.1730 0.0000 173.2681 173 S 4.5076 8.2879 115.2240 58.1185 64.8503 172.7950 174 H 4.5894 8.6356 121.0258 55.4860 30.9153 173.8849 175 N 4.6819 8.1689 124.0855 52.7159 39.5445 175.3703 176 H 4.2400 8.6664 126.8987 57.5723 28.5748 177.8177 177 G 3.1428 8.2501 108.7512 47.6580 0.0000 175.2921 178 E 4.0172 7.4879 120.5523 59.3712 28.9572 179.2344 179 D 4.3732 7.6231 118.1107 57.2175 40.9394 178.7909 180 W 4.5733 7.8060 119.5056 59.7180 29.0681 178.8025 181 G 3.6594 8.4446 105.8638 47.7498 0.0000 175.2391 182 L 3.9521 8.0506 123.0363 57.9596 41.9825 179.0447 183 A 4.0335 8.5607 120.7033 54.9499 18.2318 179.2755 184 A 3.9602 8.4742 119.8265 55.3633 18.3501 180.0417 185 V 3.4894 7.7655 116.4753 66.0790 31.6200 177.5268 186 E 3.6063 7.9054 118.6029 59.8163 29.3864 178.8222 187 M 4.1566 8.4212 118.8769 58.1581 32.0317 179.0338 188 G 3.6652 8.3121 106.1116 46.8008 0.0000 175.8237 189 V 3.5272 7.9257 121.3460 65.7321 31.5095 178.2356 190 R 3.3138 7.9983 118.0556 58.8921 29.7552 178.8291 191 R 4.2748 8.4436 118.7575 59.6991 30.0698 178.4534 192 R 3.9300 7.7954 117.4162 59.6075 30.1319 178.6550 193 D 4.3167 7.7132 117.7572 57.2300 40.8190 178.9948 194 W 4.4108 8.1359 119.1933 59.9066 28.8981 178.4572 195 A 4.4001 8.6115 119.4403 54.5068 17.8182 178.4451 196 A 4.4755 7.7257 117.2922 51.5471 19.0623 177.9387 197 G 3.9244 8.3785 105.9104 46.0643 0.0000 174.3172 198 K 4.3585 8.0688 119.1578 55.8113 32.9217 177.2948 199 T 4.3322 8.2623 111.5928 61.9676 68.8920 173.6308 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 5 G 8.34 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 6 P 0.00 4.47 0.00 2.28 2.10 0.00 3.69 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 1.92 2.01 0.00 7 T 7.91 4.51 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 1.22 0.00 0.00 8 P 0.00 4.38 0.00 2.20 2.10 0.00 3.80 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 1.99 1.99 0.00 9 Q 8.33 4.39 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.36 0.00 10 Q 8.71 4.58 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 11 H 8.45 4.87 0.00 3.11 3.18 0.00 5.78 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 8.14 4.15 0.00 2.63 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.88 4.07 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 0.00 14 S 8.02 5.03 0.00 4.10 4.06 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 15 A 7.89 4.60 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 16 L 7.58 4.71 0.00 1.83 1.65 0.93 0.90 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 17 R 9.24 4.77 0.00 1.85 1.82 0.00 3.07 0.00 0.00 2.85 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 18 I 8.88 5.03 1.93 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 1.23 0.83 0.95 0.00 0.00 19 G 8.38 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.73 5.08 1.87 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 1.10 0.78 0.94 0.00 0.00 21 V 8.78 4.94 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 1.10 0.00 0.00 0.87 0.00 0.00 22 H 8.85 5.52 0.00 3.25 3.37 0.00 5.31 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 23 A 8.72 5.07 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 24 R 8.74 4.67 0.00 1.74 1.97 0.00 3.19 0.00 0.00 3.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.61 0.00 25 W 8.51 4.14 0.00 3.26 3.26 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 26 N 8.92 4.28 0.00 3.06 2.97 0.00 0.00 7.11 7.66 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 27 E 8.19 4.01 0.00 2.01 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 2.54 2.38 0.00 28 T 7.97 4.01 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 29 I 7.82 4.25 2.05 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 1.56 1.35 0.95 0.00 0.00 30 I 7.58 3.76 2.05 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 1.87 1.31 1.00 0.00 0.00 31 E 8.50 3.90 0.00 2.14 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 2.30 2.50 0.00 32 P 0.00 4.26 0.00 2.17 2.06 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.17 0.00 33 L 7.77 3.98 0.00 2.01 1.86 1.19 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.67 3.94 0.00 1.74 1.84 0.94 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 35 A 8.61 4.05 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 36 G 8.03 3.45 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 0.00 37 T 8.11 4.01 4.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 38 K 8.55 3.91 0.00 1.93 1.80 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.48 7.81 39 A 8.28 3.92 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 40 K 8.05 4.03 0.00 1.75 1.91 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.76 7.81 41 L 7.77 4.14 0.00 2.02 1.74 0.96 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.18 4.20 0.00 1.84 1.73 0.93 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 8.20 3.47 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 44 C 8.04 4.53 0.00 3.12 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 45 G 9.03 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 46 V 7.45 4.14 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 1.22 0.00 0.00 1.13 0.00 0.00 47 K 8.65 4.33 0.00 1.88 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.54 1.44 7.81 48 E 9.19 3.79 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 49 S 8.03 4.27 0.00 4.04 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 9.01 4.81 0.00 2.89 3.02 0.00 0.00 6.65 5.12 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 51 I 7.39 4.91 2.04 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 1.16 0.81 0.95 0.00 0.00 52 V 8.76 4.26 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 1.06 0.00 0.00 1.26 0.00 0.00 53 V 8.34 4.89 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 0.95 0.00 0.00 0.96 0.00 0.00 54 Q 9.23 4.96 0.00 1.98 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.36 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 55 S 8.43 5.10 0.00 3.70 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.38 4.53 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 0.83 0.00 0.00 1.08 0.00 0.00 57 P 0.00 4.32 0.00 2.30 2.38 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.08 0.00 58 G 8.56 4.70 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 0.00 0.00 0.00 59 S 8.43 4.16 0.00 3.87 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 60 W 8.29 4.05 0.00 3.36 3.14 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 61 E 8.35 4.20 0.00 2.41 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.51 0.00 62 L 7.92 3.89 0.00 1.91 1.63 0.97 1.01 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 63 P 0.00 4.12 0.00 2.07 2.09 0.00 3.78 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 1.82 1.70 0.00 64 I 7.55 3.56 1.79 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 1.58 1.20 0.90 0.00 0.00 65 A 8.37 3.99 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 66 V 8.21 3.49 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 0.94 0.00 0.00 0.92 0.00 0.00 67 Q 8.31 4.00 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 68 R 8.15 4.04 0.00 1.91 1.99 0.00 3.37 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.79 0.00 69 L 8.25 3.99 0.00 1.95 1.70 0.66 1.39 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 70 Y 8.08 4.42 0.00 3.23 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 71 S 8.04 4.01 0.00 4.11 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 4.47 0.00 2.21 1.85 0.00 3.32 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.94 0.00 111 F 8.37 4.53 0.00 3.34 3.35 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 0.00 112 D 9.33 4.90 0.00 2.66 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 0.00 113 A 7.76 4.74 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 0.00 114 L 8.97 5.20 0.00 1.47 1.42 0.83 0.66 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 0.00 115 I 8.56 4.88 1.86 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 1.18 0.70 0.91 0.00 0.00 116 A 8.66 5.00 1.10 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 0.00 0.00 117 I 8.11 5.09 1.94 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 1.19 1.22 1.12 0.00 0.00 118 G 8.18 4.42 0.00 0.00 0.00 0.00 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7.99 4.11 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 144 L 7.63 3.92 0.00 1.63 1.65 0.86 1.04 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 0.00 145 D 8.57 4.44 0.00 2.81 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 0.00 146 T 8.28 4.03 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 147 G 8.07 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 0.00 148 V 6.78 4.31 1.66 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 0.92 0.00 0.00 0.40 0.00 0.00 149 P 0.00 4.44 0.00 2.15 2.02 0.00 3.78 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.22 0.00 150 V 8.18 4.65 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 0.77 0.00 0.00 0.89 0.00 0.00 151 I 9.05 3.71 1.83 0.00 0.00 0.90 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 160 D 9.01 4.39 0.00 2.79 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 0.00 161 D 8.19 4.39 0.00 2.68 2.73 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 0.00 162 Q 8.12 4.01 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 163 A 7.81 4.00 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 0.00 164 K 8.20 3.97 0.00 1.98 1.88 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.63 7.81 165 A 8.48 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 0.00 166 R 8.26 3.92 0.00 2.02 1.82 0.00 3.18 0.00 0.00 3.27 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 167 A 7.82 4.39 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 0.00 168 G 7.77 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 V 7.21 3.55 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 170 I 7.71 3.71 1.87 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 1.29 0.84 0.91 0.00 0.00 171 E 8.11 3.74 0.00 1.97 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.36 0.00 172 G 8.97 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 0.00 173 S 8.29 4.51 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 174 H 8.64 4.59 0.00 3.14 3.27 0.00 5.91 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 0.00 175 N 8.17 4.68 0.00 2.72 2.67 0.00 0.00 7.21 7.89 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 0.00 176 H 8.67 4.24 0.00 2.69 2.64 0.00 5.90 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 0.00 177 G 8.25 3.14 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 0.00 178 E 7.49 4.02 0.00 1.98 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 2.25 2.23 0.00 179 D 7.62 4.37 0.00 2.68 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 0.00 180 W 7.81 4.57 0.00 3.56 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 0.00 181 G 8.44 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 0.00 182 L 8.05 3.95 0.00 2.12 1.76 0.94 1.14 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 0.00 183 A 8.56 4.03 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 184 A 8.47 3.96 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 0.00 185 V 7.77 3.49 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.98 0.00 0.00 186 E 7.91 3.61 0.00 1.96 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 2.15 1.94 0.00 187 M 8.42 4.16 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.89 0.00 188 G 8.31 3.67 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 0.00 0.00 0.00 0.00 189 V 7.93 3.53 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 0.97 0.00 0.00 0.94 0.00 0.00 190 R 8.00 3.31 0.00 1.53 0.66 0.00 3.05 0.00 0.00 2.88 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.48 0.00 191 R 8.44 4.27 0.00 2.08 2.15 0.00 3.18 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.87 0.00 192 R 7.80 3.93 0.00 2.10 1.97 0.00 3.20 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.83 0.00 193 D 7.71 4.32 0.00 2.50 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 0.00 194 W 8.14 4.41 0.00 3.66 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 0.00 195 A 8.61 4.40 1.44 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 0.00 0.00 196 A 7.73 4.48 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 0.00 197 G 8.38 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 0.00 0.00 0.00 198 K 8.07 4.36 0.00 1.87 1.75 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.39 7.81 199 T 8.26 4.33 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 1.35 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.