NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 34 P 4.4086 0.0000 0.0000 61.8930 32.1509 178.0582 35 E 4.3939 8.6456 113.4872 56.6819 33.2768 174.2394 36 N 3.4070 8.4629 118.2359 53.2411 38.4890 172.4095 37 L 4.5809 7.3203 116.0067 54.3276 44.9917 174.6474 38 R 4.5051 8.3785 116.9884 56.1587 28.1442 179.3934 39 W 4.3850 10.2923 120.8589 59.7624 29.7722 177.8509 40 F 5.2491 8.0486 115.4732 58.5207 39.9413 182.2684 41 V 2.7528 7.6035 109.5142 61.0688 33.3201 175.9346 42 Q 4.0298 8.8501 126.7242 60.0160 29.5212 177.9364 43 A 3.7007 8.4215 121.5913 55.5230 18.1582 179.3307 44 E 3.8631 8.0744 116.6708 59.3964 29.7736 177.8645 45 L 4.0733 9.4134 120.6207 58.4834 41.9209 179.4564 46 V 3.5526 9.6783 117.3583 65.7975 31.5785 177.6149 47 N 4.3198 7.8244 115.4852 56.9037 38.6246 176.8710 48 G 3.7342 8.8519 107.8097 47.5472 0.0000 175.7711 49 R 4.0246 8.7827 121.5454 59.1315 30.1394 178.8058 50 W 4.4529 8.6664 117.4148 58.9117 28.3864 177.6320 51 A 4.1746 7.9052 121.8019 53.7353 18.1201 178.7803 52 M 3.9267 7.9607 113.9700 58.9416 32.3619 179.1289 53 L 4.1588 7.8570 116.0949 57.0977 41.6311 178.7088 54 G 3.5660 7.7022 107.1338 47.7085 0.0000 175.2426 55 V 3.9034 9.0584 120.8810 62.1126 31.7939 177.3220 56 A 4.3561 8.1660 122.8621 55.0438 18.7349 178.7690 57 G 3.6161 9.3513 105.5816 48.2572 0.0000 174.9048 58 M 4.2808 7.7653 120.0277 55.8269 32.3044 177.6351 59 L 4.0951 7.2011 118.4631 56.2043 42.0348 177.8250 60 L 3.9244 8.0629 120.3279 58.2556 42.0525 176.6965 61 P 4.5795 0.0000 0.0000 65.1493 31.3766 177.4064 62 E 3.9982 7.6662 117.4083 56.6032 29.6119 173.5547 63 V 3.2259 8.3885 117.6477 60.4749 28.7476 171.6438 64 F 3.6003 8.0031 118.7846 61.6555 39.3557 177.5910 65 T 4.2491 8.4880 121.0487 65.6082 69.7274 176.0237 66 S 4.3503 7.5186 115.5813 56.8541 65.2760 172.4249 67 I 4.2523 7.6985 127.2930 60.5210 38.5662 171.1225 68 G 3.6877 7.6605 122.6450 46.4588 0.0000 172.0590 69 I 3.3730 8.4860 122.6957 59.8992 37.8768 172.7524 70 I 3.5581 8.1307 122.4260 61.5485 37.8626 175.4297 71 N 4.7887 8.4317 124.9581 52.7600 39.9025 174.5957 72 V 4.3554 7.9939 115.3750 63.9347 35.7903 173.3004 73 P 4.6576 0.0000 0.0000 62.9992 32.5401 174.7904 74 K 4.2924 8.3380 114.0944 55.9460 36.0913 175.0948 75 W 3.7537 7.5961 110.5918 57.9198 27.7585 178.9723 76 Y 4.4614 9.2727 118.2217 57.3418 40.1435 172.6061 77 A 4.2596 8.6086 129.6916 51.9991 19.6304 177.3037 78 A 4.8028 7.8416 119.6500 49.7225 23.8913 177.4547 79 G 4.3366 8.1528 102.8736 45.2214 0.0000 173.0545 80 K 4.5570 8.3454 125.8507 56.3871 31.0880 179.8445 81 E 4.6665 7.9258 128.1613 56.1397 32.3098 174.7791 82 E 3.5802 7.8713 124.2751 56.3589 32.2226 177.5747 83 Y 4.6056 6.4714 116.8214 57.3781 41.0919 173.2647 84 F 5.4945 8.1147 123.5361 56.2937 42.9565 173.5354 85 A 4.9188 8.4763 122.0769 51.9554 21.6185 176.4585 86 S 4.7068 8.5302 115.5874 58.2550 65.2661 175.1829 87 S 4.5524 7.9721 117.4943 56.3543 60.9741 172.6698 88 S 4.7287 7.9370 120.9857 59.8112 66.0005 177.8819 89 T 4.0033 7.6119 114.5270 61.5599 67.5783 174.2377 90 L 4.4565 8.6398 129.6278 58.7347 43.1801 178.4785 91 F 4.6641 9.4071 119.0455 61.4564 38.9606 175.9447 92 V 3.6465 8.8725 121.3457 65.7735 32.3373 177.0699 93 I 3.6920 7.1549 112.4181 64.1393 37.8879 177.1077 94 E 3.8892 8.0687 117.9982 56.3197 29.2180 178.2789 95 F 5.3345 7.6005 113.6994 55.4410 41.3769 176.0250 96 I 3.7833 7.6533 122.5571 61.9690 37.6720 177.1785 97 L 3.1218 7.6727 121.2144 58.1093 42.2262 179.3781 98 S 4.2492 8.2019 113.9059 61.9967 62.4473 175.7661 99 H 3.9896 8.8624 122.6839 59.5326 29.4426 176.8256 100 Y 4.1230 7.1417 116.7131 60.8522 37.4362 178.5561 101 V 3.8802 7.8355 112.2035 63.1178 32.0545 177.1178 102 E 4.5470 7.9161 117.3007 57.4488 30.9363 178.0364 103 I 3.8757 8.7242 120.7983 64.1415 37.0275 178.2873 104 R 4.0234 7.9276 119.6183 59.4077 29.7366 178.9144 105 R 3.8888 8.0990 114.9325 59.7691 29.3013 177.7522 106 W 4.2590 8.1519 128.2973 60.9521 30.5206 177.4926 107 Q 3.5106 9.2928 119.4964 58.7832 28.4243 178.3675 108 D 4.2291 8.3847 119.6878 56.4218 41.2305 177.8677 109 I 3.4039 9.9396 115.4844 64.5166 36.9563 180.3349 110 K 3.7350 5.6600 119.3891 57.0579 34.2897 175.7957 111 N 4.5653 7.2207 127.4049 51.2620 37.7701 172.8572 112 P 4.1741 0.0000 0.0000 63.6524 31.9638 175.4591 113 G 4.1037 8.0224 112.2579 49.4370 0.0000 170.4343 114 S 4.7822 9.5027 121.4661 58.4494 64.6050 175.6169 115 V 2.9989 7.9223 129.7579 64.0380 32.8559 173.7607 116 N 4.9757 8.1621 109.0838 51.8985 37.3959 173.6898 117 Q 4.2391 8.1985 117.6220 54.9713 31.6835 175.6216 118 D 4.5420 8.9520 123.5026 56.2991 41.3057 176.0135 119 P 4.8085 0.0000 0.0000 63.2229 33.1308 175.1560 120 I 3.1457 6.9797 110.7353 57.5803 37.0583 173.0186 121 F 5.0281 8.0812 123.7778 58.9837 46.8473 175.0681 122 K 4.7538 7.7404 118.8879 54.7640 35.3111 175.2727 123 Q 4.2906 8.0193 123.1684 56.9623 35.1966 173.6189 124 Y 4.7345 7.3036 110.4260 57.3082 41.1215 172.7520 125 S 5.6796 8.0393 132.1000 58.3273 63.6797 176.3292 126 L 4.7868 7.9179 126.3685 52.0768 44.1380 176.9451 127 P 4.9077 0.0000 0.0000 61.6980 30.5630 177.5171 128 A 4.5027 8.7306 130.2580 51.6154 19.2574 175.7978 129 G 3.7206 8.4880 105.8351 48.0863 0.0000 174.3883 130 E 3.8777 8.6897 123.9829 57.6578 30.1736 175.3303 131 V 3.8707 7.9461 119.6065 61.1200 30.1800 174.8988 132 G 3.9690 7.7727 109.4934 45.6172 0.0000 172.5501 *133 Y 4.7253 7.9759 118.9689 54.4812 40.8257 173.8351 134 P 4.6453 0.0000 0.0000 59.9578 28.7631 175.8192 135 G 4.5765 7.0398 110.9516 43.6883 0.0000 170.3995 136 G 4.5515 7.8967 108.8496 43.5625 0.0000 173.0403 137 I 3.9650 8.1720 109.9723 60.5094 36.9388 175.3682 138 F 4.2005 7.9706 125.7981 58.5268 37.6964 175.5760 139 N 4.9779 7.9341 114.3709 54.0303 41.0156 173.2755 140 P 4.6873 0.0000 0.0000 61.5619 30.2821 174.7388 141 L 4.3830 7.9212 128.4122 54.1721 41.4527 177.7008 142 N 4.0552 7.7436 116.2687 56.6461 43.6485 173.1449 143 F 5.6076 8.2362 124.2312 56.1272 39.2346 173.3368 144 A 5.7139 7.4932 135.0000 52.4190 20.2912 177.6691 145 P 4.5695 0.0000 0.0000 64.1844 30.8157 177.3042 146 T 4.5349 10.3049 112.3545 61.6011 66.6567 173.0660 147 L 4.9523 8.6289 125.7802 54.8554 44.0160 175.0272 148 E 5.2409 8.4280 125.2139 57.4383 27.7826 177.3210 149 A 4.7316 7.3154 117.1274 52.3010 19.1915 179.9217 150 K 4.5600 8.5531 119.0462 58.7319 30.9260 176.1732 151 E 4.2509 8.3114 125.2081 54.7343 31.1292 179.5052 152 K 4.1663 7.8084 120.9626 55.5312 30.2924 175.0977 153 E 3.7278 9.4152 121.9781 58.1438 28.4597 182.0729 154 I 2.8242 8.0167 113.8739 62.1370 42.3407 178.3367 155 A 3.7348 7.6996 122.5615 53.8412 18.9072 179.2090 156 N 4.4086 8.4939 112.7667 56.3457 38.3141 177.3982 157 G 3.9577 7.7253 106.3133 48.1961 0.0000 175.2501 158 R 4.2321 8.4998 120.0988 57.6630 30.3478 178.4933 159 L 3.8265 7.9243 119.8608 58.4178 42.0682 178.6514 160 A 4.0815 7.7858 118.0343 54.1190 18.1938 178.5139 161 M 4.3208 8.4724 116.9801 56.3419 32.4841 178.4178 162 L 3.9674 7.7719 119.0840 57.2884 41.2845 178.2696 163 A 3.0578 7.9148 121.0616 55.1102 17.9385 179.1382 164 F 4.6062 8.0301 118.3204 61.6588 39.3150 176.6861 165 L 4.2361 7.4977 115.9478 55.9037 42.0702 178.1299 166 G 3.7031 7.8688 105.5587 48.3117 0.0000 176.2790 167 F 4.6494 9.0474 120.2771 59.7092 38.7998 177.6305 168 I 3.7869 9.2988 118.7174 63.8568 37.5844 177.7516 169 I 3.6498 7.1322 112.4404 64.5420 37.4411 177.5333 170 Q 4.0789 8.2063 119.9252 58.6783 28.4329 178.3563 171 H 3.9782 7.8445 115.6221 57.4029 29.5480 175.3493 172 N 4.8765 8.0419 117.4733 49.4791 39.4097 174.0638 173 V 5.1405 7.5175 132.0023 64.4115 31.0016 171.2949 174 T 4.3739 7.9910 116.7562 61.7024 68.2368 172.8691 175 G 4.1998 8.4728 115.4358 45.2131 0.0000 171.2861 176 K 4.5670 7.8602 117.7975 54.1604 35.7970 176.8004 177 G 3.9537 8.6097 111.2420 43.4636 0.0000 171.1453 178 P 5.0014 0.0000 0.0000 60.8815 33.5129 175.5143 179 F 5.1545 8.3160 113.8244 55.9816 40.3468 174.8727 180 D 4.4870 8.2193 124.0882 52.5561 39.9131 174.4756 181 N 4.5683 8.1098 126.1545 53.6799 39.8851 176.9365 182 L 3.3083 8.4015 116.2948 56.1246 42.4070 175.9091 183 L 3.9949 9.1676 118.8282 56.2324 39.7990 177.7503 184 Q 4.5961 8.9022 122.5719 56.2791 31.1925 174.6713 185 H 4.4615 7.8922 115.0333 57.0094 29.6915 175.2546 186 I 3.3255 8.2066 113.1070 61.2676 36.1916 172.6791 187 S 4.6566 7.0791 121.6056 59.2853 70.0800 178.0000 188 D 5.2578 7.5052 122.1910 54.0845 40.1183 175.7608 189 P 4.6227 0.0000 0.0000 64.6325 34.3862 176.1521 190 W 5.6889 7.7581 124.5743 56.3410 28.0184 175.8083 191 H 5.0654 8.3013 122.5385 55.4434 32.3131 172.1534 192 N 4.3157 7.9525 114.9293 53.8866 42.4580 173.3543 193 T 4.6419 8.3560 119.2151 62.3553 68.3006 176.6084 194 I 4.3332 7.6222 111.8356 61.6200 37.0401 178.0734 195 V 3.2664 7.2697 122.0706 62.1728 29.3719 173.3655 196 Q 4.3696 7.9351 124.8441 55.3567 32.0681 177.5381 197 T 4.5164 7.2813 114.8004 59.9411 70.4543 174.7814 198 L 4.1735 8.2628 121.4824 55.0546 41.6440 177.3094 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 34 P 0.00 4.41 0.00 2.11 1.42 0.00 3.65 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 1.84 1.59 0.00 35 E 8.65 4.39 0.00 2.01 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 2.11 1.94 0.00 36 N 8.46 3.41 0.00 2.81 2.82 0.00 0.00 6.38 7.79 0.00 0.00 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 L 7.32 4.58 0.00 1.50 1.49 0.92 0.83 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 38 R 8.38 4.51 0.00 1.82 1.85 0.00 3.24 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.23 0.00 39 W 10.29 4.38 0.00 3.22 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 40 F 8.05 5.25 0.00 3.17 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.60 2.75 2.19 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 0.83 0.00 0.00 1.14 0.00 0.00 42 Q 8.85 4.03 0.00 2.22 2.18 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 2.40 2.46 0.00 43 A 8.42 3.70 0.59 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 0.00 0.00 44 E 8.07 3.86 0.00 2.05 2.11 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 2.39 2.34 0.00 45 L 9.41 4.07 0.00 1.99 1.83 0.95 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 46 V 9.68 3.55 2.19 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 0.70 0.00 0.00 0.83 0.00 0.00 47 N 7.82 4.32 0.00 2.89 2.86 0.00 0.00 7.31 7.25 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 48 G 8.85 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 49 R 8.78 4.02 0.00 2.01 2.07 0.00 3.32 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.81 0.00 50 W 8.67 4.45 0.00 3.36 3.16 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 51 A 7.91 4.17 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 M 7.96 3.93 0.00 2.12 2.11 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.62 0.00 53 L 7.86 4.16 0.00 1.56 1.61 0.91 0.82 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 54 G 7.70 3.57 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 V 9.06 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 0.90 0.00 0.00 1.26 0.00 0.00 56 A 8.17 4.36 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 57 G 9.35 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 58 M 7.77 4.28 0.00 2.09 2.14 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.73 0.00 59 L 7.20 4.10 0.00 1.81 1.67 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 60 L 8.06 3.92 0.00 1.74 1.56 0.87 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.58 0.00 2.10 2.25 0.00 3.89 0.00 0.00 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.34 0.00 62 E 7.67 4.00 0.00 1.76 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 0.00 2.28 2.28 0.00 63 V 8.39 3.23 2.32 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 0.77 0.00 0.00 0.99 0.00 0.00 64 F 8.00 3.60 0.00 3.08 2.85 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 65 T 8.49 4.25 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 1.21 0.00 0.00 66 S 7.52 4.35 0.00 3.95 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 67 I 7.70 4.25 1.94 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.45 0.98 0.00 0.00 68 G 7.66 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.49 3.37 1.87 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 1.30 0.73 0.91 0.00 0.00 70 I 8.13 3.56 1.87 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 1.40 0.90 0.92 0.00 0.00 71 N 8.43 4.79 0.00 2.69 2.70 0.00 0.00 6.80 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 72 V 7.99 4.36 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.92 0.00 0.00 73 P 0.00 4.66 0.00 2.13 1.97 0.00 3.82 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 74 K 8.34 4.29 0.00 1.25 1.51 0.00 1.40 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 0.99 0.89 7.81 75 W 7.60 3.75 0.00 3.45 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 0.00 0.00 0.00 76 Y 9.27 4.46 0.00 3.08 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 77 A 8.61 4.26 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 78 A 7.84 4.80 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.15 4.34 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 0.00 80 K 8.35 4.56 0.00 1.21 0.80 0.00 1.83 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.37 7.81 81 E 7.93 4.67 0.00 1.77 1.84 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 2.20 2.24 0.00 82 E 7.87 3.58 0.00 1.24 1.12 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 1.47 1.47 0.00 83 Y 6.47 4.61 0.00 2.70 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 84 F 8.11 5.49 0.00 3.04 2.79 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.48 4.92 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 86 S 8.53 4.71 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 87 S 7.97 4.55 0.00 4.00 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 88 S 7.94 4.73 0.00 4.07 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 89 T 7.61 4.00 4.38 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 1.38 0.00 0.00 90 L 8.64 4.46 0.00 1.89 1.79 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.00 0.00 91 F 9.41 4.66 0.00 2.95 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.87 3.65 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 0.93 0.00 0.00 0.63 0.00 0.00 93 I 7.15 3.69 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 1.74 0.54 0.97 0.00 0.00 94 E 8.07 3.89 0.00 1.16 1.12 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 2.13 2.10 0.00 95 F 7.60 5.33 0.00 3.48 3.18 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 96 I 7.65 3.78 1.91 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.88 0.00 0.00 97 L 7.67 3.12 0.00 1.60 1.57 0.90 0.81 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 98 S 8.20 4.25 0.00 4.30 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 0.00 99 H 8.86 3.99 0.00 3.09 3.06 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 0.00 100 Y 7.14 4.12 0.00 3.16 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 0.00 101 V 7.84 3.88 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 0.83 0.00 0.00 1.09 0.00 0.00 102 E 7.92 4.55 0.00 1.97 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 2.27 2.40 0.00 103 I 8.72 3.88 2.19 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.99 1.12 0.00 0.00 104 R 7.93 4.02 0.00 1.88 2.05 0.00 3.18 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 105 R 8.10 3.89 0.00 2.08 2.19 0.00 3.21 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.91 0.00 106 W 8.15 4.26 0.00 3.31 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 9.29 3.51 0.00 2.38 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.58 0.00 0.00 0.00 0.00 0.00 2.28 2.08 0.00 108 D 8.38 4.23 0.00 2.81 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 0.00 109 I 9.94 3.40 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.75 0.86 0.00 0.00 110 K 5.66 3.74 0.00 1.56 1.44 0.00 1.04 0.00 0.00 1.24 0.00 0.00 2.32 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.00 0.39 7.81 111 N 7.22 4.57 0.00 2.70 2.72 0.00 0.00 7.19 9.25 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 0.00 112 P 0.00 4.17 0.00 2.00 1.90 0.00 3.63 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 113 G 8.02 4.10 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 0.00 114 S 9.50 4.78 0.00 3.96 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 0.00 115 V 7.92 3.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.92 0.00 0.00 116 N 8.16 4.98 0.00 2.81 2.75 0.00 0.00 5.63 7.39 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 0.00 117 Q 8.20 4.24 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.42 7.01 0.00 0.00 0.00 0.00 0.00 2.27 2.52 0.00 118 D 8.95 4.54 0.00 2.68 2.75 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 0.00 0.00 0.00 119 P 0.00 4.81 0.00 2.10 2.13 0.00 3.63 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 120 I 6.98 3.15 0.56 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.20 0.51 0.00 0.00 121 F 8.08 5.03 0.00 3.04 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 7.74 4.75 0.00 1.83 1.67 0.00 1.68 0.00 0.00 1.85 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.44 1.47 7.81 123 Q 8.02 4.29 0.00 1.92 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 2.19 1.85 0.00 124 Y 7.30 4.73 0.00 2.98 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 0.00 125 S 8.04 5.68 0.00 4.26 4.41 0.00 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0.00 0.00 0.00 0.00 0.00 142 N 7.74 4.06 0.00 2.54 2.63 0.00 0.00 7.15 7.02 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 0.00 143 F 8.24 5.61 0.00 3.17 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 0.00 144 A 7.49 5.71 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 P 0.00 4.57 0.00 2.19 2.16 0.00 3.77 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 1.95 0.00 146 T 10.30 4.53 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 1.26 0.00 0.00 147 L 8.63 4.95 0.00 1.64 1.49 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 148 E 8.43 5.24 0.00 2.06 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 0.00 2.10 2.04 0.00 149 A 7.32 4.73 0.97 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 0.00 150 K 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3.35 0.00 0.00 3.10 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.78 0.00 159 L 7.92 3.83 0.00 1.71 1.76 0.92 1.17 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 0.00 160 A 7.79 4.08 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 M 8.47 4.32 0.00 2.10 2.22 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 2.54 2.62 0.00 162 L 7.77 3.97 0.00 1.77 1.60 0.88 0.72 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 0.00 163 A 7.91 3.06 1.16 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 0.00 0.00 164 F 8.03 4.61 0.00 3.21 3.18 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 0.00 165 L 7.50 4.24 0.00 1.82 1.62 0.93 1.43 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 0.00 166 G 7.87 3.70 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 0.00 167 F 9.05 4.65 0.00 3.14 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 0.00 168 I 9.30 3.79 1.05 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.25 0.71 0.00 0.00 169 I 7.13 3.65 1.84 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 1.70 0.72 0.89 0.00 0.00 170 Q 8.21 4.08 0.00 2.24 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.86 0.00 0.00 0.00 0.00 0.00 2.67 2.48 0.00 171 H 7.84 3.98 0.00 3.26 3.67 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 N 8.04 4.88 0.00 2.46 2.65 0.00 0.00 6.79 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 0.00 173 V 7.52 5.14 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 0.68 0.00 0.00 0.93 0.00 0.00 174 T 7.99 4.37 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 1.24 0.00 0.00 175 G 8.47 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 K 7.86 4.57 0.00 1.67 1.69 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.37 7.81 177 G 8.61 3.95 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 0.00 0.00 0.00 178 P 0.00 5.00 0.00 2.54 2.11 0.00 3.87 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 179 F 8.32 5.15 0.00 3.24 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 0.00 180 D 8.22 4.49 0.00 2.66 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 0.00 181 N 8.11 4.57 0.00 2.80 2.81 0.00 0.00 7.01 6.74 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 0.00 182 L 8.40 3.31 0.00 1.77 1.78 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 183 L 9.17 3.99 0.00 1.44 1.36 0.88 0.79 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 0.00 184 Q 8.90 4.60 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 7.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 185 H 7.89 4.46 0.00 3.12 3.25 0.00 5.82 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 I 8.21 3.33 1.89 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 1.46 0.45 0.92 0.00 0.00 187 S 7.08 4.66 0.00 3.80 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 0.00 188 D 7.51 5.26 0.00 2.81 2.57 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 0.00 0.00 0.00 0.00 189 P 0.00 4.62 0.00 1.57 1.87 0.00 3.81 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 1.79 1.85 0.00 190 W 7.76 5.69 0.00 3.38 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 0.00 191 H 8.30 5.07 0.00 2.99 3.11 0.00 5.78 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 0.00 192 N 7.95 4.32 0.00 2.65 2.69 0.00 0.00 6.76 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 193 T 8.36 4.64 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 1.19 0.00 0.00 194 I 7.62 4.33 1.86 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 0.82 0.90 0.00 0.00 195 V 7.27 3.27 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 0.80 0.00 0.00 0.92 0.00 0.00 196 Q 7.94 4.37 0.00 2.01 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.55 0.00 0.00 0.00 0.00 0.00 2.45 2.28 0.00 197 T 7.28 4.52 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 0.00 198 L 8.26 4.17 0.00 1.67 1.56 0.91 0.77 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 * Residues marked with a * may have inaccurate shift predictions.