NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 A 4.3030 8.2644 123.6093 51.7784 20.7116 176.4878 8 D 4.2251 8.0687 115.7754 53.5689 41.1804 174.0578 9 M 2.5500 8.7917 127.0352 55.1016 33.5879 177.7184 10 T 3.9391 7.7206 116.4641 66.6127 68.6238 174.9790 11 L 4.7643 7.7329 116.6311 54.0824 42.0615 176.6956 12 W 4.5750 7.8571 119.6350 57.0158 29.5718 176.8558 13 T 4.5257 8.8589 112.8044 61.2409 70.6309 175.7281 14 E 4.1809 8.9162 121.0546 59.8530 29.4812 179.7618 15 A 4.0265 8.0050 120.1543 55.1451 18.4744 179.4305 16 E 3.5572 8.0398 117.1572 59.2506 29.4690 179.3143 17 F 4.1478 8.2474 117.9007 60.7387 38.7285 177.4093 18 E 4.0520 7.9015 117.2744 59.2925 29.5152 178.0880 19 E 4.0993 8.1177 118.3466 57.9013 29.8241 177.6787 20 K 4.3793 7.6208 115.3736 54.7307 33.2410 175.8973 21 C 4.2446 7.4819 119.7455 60.8433 32.0971 173.2207 22 T 4.2383 8.8349 123.2562 65.3708 69.2696 174.7936 23 Y 4.7469 7.9772 117.9536 56.0394 41.4072 174.5783 24 I 4.6792 8.4506 123.4836 59.4119 39.8334 175.0621 25 V 4.2644 8.4489 127.0606 61.1532 33.0011 175.1146 26 N 4.8081 8.7568 125.3418 52.2178 39.6392 174.9023 27 D 4.6969 8.4992 119.8917 54.3944 41.5802 176.1183 28 H 4.2114 8.6203 121.7291 55.6869 30.3928 175.4827 29 P 4.4568 0.0000 0.0000 62.1064 30.5371 177.3870 *40 V 3.9072 7.5720 110.4141 60.8989 34.1111 175.4725 41 Q 3.9895 8.7105 123.3415 59.6366 28.7540 178.8369 42 A 4.3065 8.2138 122.9139 54.5378 18.3212 179.3678 43 E 4.4876 8.3243 116.0833 59.3682 29.8409 178.8557 44 A 4.1437 8.3456 120.1259 54.7720 18.6468 179.1200 45 S 4.6785 8.3693 111.7828 58.5982 63.3069 173.9329 46 L 3.3955 7.2615 125.1465 54.3861 42.2126 175.0093 47 P 4.3516 0.0000 0.0000 62.4303 31.8081 177.3797 48 R 4.0836 8.3258 116.3300 57.8910 29.8585 176.8747 49 N 4.8229 7.8476 115.1803 52.4833 37.9758 173.8870 50 L 5.1075 7.4101 118.2035 53.0943 45.4726 175.5225 51 L 4.6247 8.5485 119.1031 52.9775 46.2922 176.2563 52 F 4.8236 8.3238 119.6160 57.1978 40.2008 174.8856 53 K 4.4324 8.6732 123.7424 55.6881 33.4801 175.0556 54 Y 5.2994 8.4656 123.6571 55.7189 41.1053 175.4258 55 A 4.1352 8.7528 123.9919 51.8498 19.1897 179.1575 56 T 4.0550 8.0900 117.6432 63.3980 66.1504 173.1291 *58 S 4.2201 7.5848 119.4978 59.1721 64.5878 174.9850 59 E 4.4859 8.5913 116.5583 56.4398 29.8307 172.2105 60 E 4.3223 7.8197 118.3270 57.2847 30.7969 179.5486 61 V 3.8376 8.3048 125.9196 61.4979 31.9631 175.4987 62 I 4.5115 9.0284 120.4351 59.7440 38.7385 175.0375 63 G 4.2269 6.9217 109.9556 45.9065 0.0000 171.5060 64 V 5.0314 7.8075 118.5305 61.3086 34.6699 174.2435 65 M 5.3833 9.1097 126.3435 53.0755 36.5028 175.0407 66 S 4.4744 8.8614 116.1088 58.5752 63.9295 174.8941 67 K 4.3340 8.9334 124.1191 58.0648 33.1979 175.4634 68 E 4.7470 7.7086 116.3665 54.8357 33.5042 173.4850 69 Y 4.1428 8.6631 121.3750 58.1600 39.3866 174.9368 70 I 4.2737 8.2240 128.5116 58.8833 38.9805 173.9189 71 P 4.4996 0.0000 0.0000 61.8235 32.0549 176.3547 72 K 3.8749 8.5254 123.5329 57.5253 33.1694 176.5375 73 G 4.0544 9.2267 113.5077 46.7775 0.0000 172.4584 74 T 5.1780 8.4790 116.4594 61.5495 70.9659 173.6871 75 R 4.7296 8.9021 126.7918 54.6553 32.3058 174.8586 76 F 5.3101 9.2007 124.8625 56.7329 42.5663 174.0608 77 G 3.6856 9.0975 106.0746 43.1730 0.0000 171.6085 78 P 3.9006 0.0000 0.0000 61.5458 32.3830 176.1057 79 L 3.5134 7.7309 123.6604 55.5152 42.7361 176.2411 80 I 4.4035 8.0820 126.3820 59.6506 40.2632 174.9827 81 G 4.6256 8.0310 111.7605 44.8159 0.0000 172.4667 82 E 4.1058 8.4307 119.2293 56.3078 30.5297 176.5434 83 I 4.7170 7.7672 123.4251 59.7270 39.6204 174.6448 84 Y 5.1422 8.7905 123.6592 56.5352 42.2857 175.1419 85 T 4.6839 8.6686 113.2238 60.0273 71.8949 175.3991 86 N 4.4321 9.0528 120.6489 57.3757 38.5415 178.1485 87 D 4.5360 8.1995 114.7903 55.1919 39.9757 178.3452 88 T 4.6269 7.1573 104.5438 61.6455 70.1497 174.9705 89 V 3.2683 7.5961 123.2187 60.8105 31.2012 173.6585 90 P 3.8202 0.0000 0.0000 64.8609 31.6260 175.4237 *94 N 4.0919 7.8338 120.0786 53.9524 39.9951 174.5207 95 R 2.8080 7.6801 122.8014 55.1862 31.0841 178.0289 96 K 3.7739 7.9335 118.9529 58.8640 32.1769 177.4602 97 Y 4.5745 7.9123 114.5764 57.5880 38.3092 174.8492 98 F 5.2337 7.9195 119.1594 57.3975 40.0123 175.0740 99 W 5.1668 9.7401 122.4280 55.0954 32.5910 174.7155 100 R 4.7686 9.3762 123.4978 55.5717 31.1223 175.7511 101 I 4.5868 8.4305 124.2027 59.6872 39.9201 174.2345 102 Y 4.9312 9.0224 124.1225 56.2343 40.8044 175.4220 103 S 4.4602 8.9685 116.4580 57.9771 65.6497 174.3544 104 R 3.8929 9.7593 126.9018 57.4627 27.4405 176.7863 105 G 3.9355 8.4676 103.1056 46.6054 0.0000 173.7658 106 E 4.8470 7.9902 114.9780 52.9509 33.2774 179.1355 107 L 3.1866 8.4738 123.5243 55.4392 42.5830 175.4292 108 H 4.6872 8.5914 126.0099 57.7080 31.5199 173.5436 109 H 4.6417 7.2675 111.0156 54.8015 32.0466 171.7489 110 F 5.3428 9.4275 117.1887 55.7799 42.0990 174.9043 111 I 4.6830 9.0360 123.3997 59.6926 39.6981 174.0271 112 D 5.3848 9.3970 127.9248 52.4976 42.8160 176.0060 113 G 4.4977 9.2818 113.6423 47.5852 0.0000 174.0032 114 F 3.9099 8.9542 124.2923 60.7823 39.6885 175.2048 115 N 4.0748 7.9701 121.7542 52.9832 38.4434 175.0980 116 E 3.9779 8.3370 126.4359 58.7063 29.8003 178.8534 117 E 4.1595 8.3416 117.3874 57.6161 30.0842 177.3150 118 K 4.6556 8.1416 117.6772 55.7187 33.4026 175.5710 119 S 4.8150 7.6866 114.0529 56.7772 66.9642 173.6456 120 N 5.0059 8.1107 120.5601 51.1475 39.3093 175.7844 121 W 5.0390 8.5466 115.9466 59.1784 28.0256 177.9240 122 M 3.2767 7.0508 119.5932 57.5788 30.9250 178.2603 123 R 4.2507 7.4758 115.1972 58.9471 29.6604 177.5877 124 Y 4.7520 8.1937 116.3437 57.5731 38.1787 175.1798 125 V 4.0354 7.5011 121.1812 62.5738 32.3908 175.3943 126 N 4.8840 8.6745 124.6413 52.2715 40.0009 172.7660 127 P 5.0857 0.0000 0.0000 62.4702 32.6061 175.8347 128 A 4.1744 8.8684 124.3685 52.4997 18.5015 177.7553 129 H 4.4216 9.3737 118.9414 57.1543 29.6865 175.6359 130 S 4.4566 7.3690 112.3010 56.2902 65.2810 173.4944 131 P 4.1854 0.0000 0.0000 65.8882 31.2546 178.0504 132 R 4.0276 7.8990 116.8945 59.2316 30.2187 177.3189 133 E 4.0924 7.8981 116.3272 58.6179 29.7663 177.3722 134 Q 4.2127 7.7769 120.2329 56.4613 29.4488 175.2257 135 N 5.1327 9.1754 120.5900 52.2592 39.4995 173.6079 136 L 5.4578 7.9090 119.3574 53.0842 45.9725 174.8529 137 A 5.3017 9.1749 124.9735 50.2184 21.4126 175.4897 138 A 5.2268 8.9090 125.4339 51.5420 20.5049 176.1429 139 C 5.3004 9.4303 119.2970 58.0407 32.9706 172.8345 140 Q 4.8558 9.2227 124.2897 54.9397 29.9760 174.6655 141 N 5.0663 9.0358 123.8248 52.3769 42.4241 174.1061 142 G 3.8281 8.4288 112.7297 47.6038 0.0000 173.9011 143 M 4.4558 8.8693 123.7523 54.5890 32.2480 174.7288 144 N 4.9105 8.0966 116.7388 51.3308 41.9206 173.0643 145 I 4.8852 7.4992 120.1125 59.9879 39.5621 174.5017 146 Y 4.8102 8.9371 123.3579 56.0568 42.3835 174.2610 147 F 5.6692 8.7144 119.8957 56.2005 41.9135 174.1528 148 Y 5.5067 9.2443 121.8480 56.2206 40.8771 175.2829 149 T 4.8739 9.4058 115.6227 61.9050 69.9596 174.8901 150 I 4.5977 8.6262 118.0387 60.7576 38.5676 175.0523 151 K 4.6318 7.6672 120.3244 55.1393 35.2015 173.7711 152 P 4.3473 0.0000 0.0000 62.9752 32.3677 176.5050 153 I 4.3150 8.1271 123.6933 58.6933 39.0547 173.6286 154 P 4.8705 0.0000 0.0000 62.0116 32.1604 176.2807 155 A 4.0827 8.7274 122.7134 53.2119 18.9988 176.9830 156 N 4.2512 8.6285 116.0022 54.6223 37.0233 174.3128 157 Q 4.7905 7.7195 115.4136 53.8185 32.0705 175.1447 158 E 4.5438 8.6546 123.2901 56.1516 30.6850 175.9855 159 L 4.5328 8.6331 127.1498 54.4557 42.8350 176.4790 160 L 4.9972 9.5117 123.9047 53.1131 45.5130 175.9200 161 V 4.8339 8.5174 123.9132 59.8928 34.2517 174.6718 162 W 5.2008 8.7154 130.8383 55.6236 34.7928 173.5468 163 Y 4.5775 6.6613 121.1832 58.3157 38.0692 176.2700 164 C 4.5715 9.2602 118.8684 57.9351 31.2926 174.6729 165 R 3.1160 8.9368 117.9422 59.6781 29.4872 177.9692 166 D 4.2615 8.0445 118.0275 57.1431 40.9399 178.4536 167 F 4.2184 8.2141 120.4810 61.2700 39.4826 176.6789 168 A 3.7639 8.3924 120.8566 55.3711 18.1995 179.3847 169 E 3.9310 8.2719 117.0615 59.7599 29.3087 179.8727 170 R 3.6680 7.6819 116.8786 58.6244 30.0932 178.1682 171 L 3.9978 7.1850 115.4599 53.8481 42.0613 176.1058 172 H 4.1201 7.5415 115.0693 57.1107 26.8361 174.2251 173 Y 5.1803 7.9369 115.5623 55.7059 39.9634 174.2844 174 P 4.8944 0.0000 0.0000 62.5164 32.7867 174.9010 175 Y 5.1667 7.7088 115.0405 55.0715 40.5031 172.3177 176 P 4.3810 0.0000 0.0000 64.5382 31.7169 177.1184 177 G 4.0133 8.9092 110.9440 44.9055 0.0000 173.1455 178 E 3.6948 7.5640 121.2917 55.7992 30.0197 176.3651 179 L 4.3032 8.3820 125.8414 55.0075 42.6067 177.0708 180 T 4.5186 8.4676 112.5320 60.1906 72.1727 175.7530 181 M 4.0394 8.4077 120.2253 58.9133 31.5288 178.7683 182 M 4.0431 8.0455 118.0975 58.5973 31.9421 178.4304 183 N 4.4073 7.9549 115.1019 56.4218 38.8762 177.3019 184 L 4.2423 7.9687 118.6459 56.4967 41.8370 178.3324 185 T 4.5804 7.4255 109.7390 61.7640 69.4641 175.3407 186 Q 4.3204 7.6694 127.6846 57.9746 28.2802 181.0594 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 7 A 8.26 4.30 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 8 D 8.07 4.23 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 M 8.79 2.55 0.00 0.98 1.57 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.81 0.00 10 T 7.72 3.94 4.29 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 1.36 0.00 0.00 11 L 7.73 4.76 0.00 1.75 1.80 1.02 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 12 W 7.86 4.57 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.86 4.53 4.35 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 1.27 0.00 0.00 14 E 8.92 4.18 0.00 2.13 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 0.00 2.45 2.46 0.00 15 A 8.01 4.03 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 E 8.04 3.56 0.00 1.97 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 1.84 2.08 0.00 17 F 8.25 4.15 0.00 2.95 1.67 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 18 E 7.90 4.05 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 2.32 2.32 0.00 19 E 8.12 4.10 0.00 1.92 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 2.18 2.25 0.00 20 K 7.62 4.38 0.00 1.30 1.68 0.00 1.28 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 0.96 7.81 21 C 7.48 4.24 0.00 3.45 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 22 T 8.83 4.24 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.52 0.00 0.00 23 Y 7.98 4.75 0.00 2.83 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 24 I 8.45 4.68 1.86 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 1.18 0.59 0.89 0.00 0.00 25 V 8.45 4.26 1.61 0.00 0.00 0.00 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 0.68 0.00 0.00 26 N 8.76 4.81 0.00 2.78 2.77 0.00 0.00 7.20 8.06 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 27 D 8.50 4.70 0.00 2.79 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.62 4.21 0.00 3.17 3.37 0.00 5.77 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 29 P 0.00 4.46 0.00 2.11 2.08 0.00 3.56 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 2.11 0.00 *40 V 7.57 3.91 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 0.83 0.00 0.00 1.05 0.00 0.00 41 Q 8.71 3.99 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.61 2.50 0.00 42 A 8.21 4.31 1.43 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 0.00 0.00 43 E 8.32 4.49 0.00 2.26 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 0.00 2.07 2.32 0.00 44 A 8.35 4.14 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 45 S 8.37 4.68 0.00 4.35 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 0.00 46 L 7.26 3.40 0.00 1.41 1.32 0.03 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 47 P 0.00 4.35 0.00 2.27 2.07 0.00 2.20 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 48 R 8.33 4.08 0.00 1.89 2.04 0.00 2.99 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 49 N 7.85 4.82 0.00 2.88 3.07 0.00 0.00 6.51 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 50 L 7.41 5.11 0.00 1.09 1.14 -0.21 0.74 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 51 L 8.55 4.62 0.00 1.42 1.44 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.32 4.82 0.00 2.38 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 0.00 0.00 0.00 0.00 53 K 8.67 4.43 0.00 1.83 1.76 0.00 1.60 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.44 7.81 54 Y 8.47 5.30 0.00 2.87 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 55 A 8.75 4.14 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 56 T 8.09 4.05 4.26 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 1.22 0.00 0.00 *58 S 7.58 4.22 0.00 4.02 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 59 E 8.59 4.49 0.00 2.00 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 2.15 1.85 0.00 60 E 7.82 4.32 0.00 1.70 1.87 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 2.24 2.13 0.00 61 V 8.30 3.84 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 -0.04 0.00 0.00 -0.08 0.00 0.00 62 I 9.03 4.51 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.87 1.00 0.00 0.00 63 G 6.92 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 0.00 0.00 0.00 0.00 64 V 7.81 5.03 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 1.05 0.00 0.00 1.39 0.00 0.00 65 M 9.11 5.38 0.00 1.89 1.86 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.45 0.00 66 S 8.86 4.47 0.00 4.09 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 67 K 8.93 4.33 0.00 1.70 1.85 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.91 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.34 7.81 68 E 7.71 4.75 0.00 2.07 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 2.25 2.32 0.00 69 Y 8.66 4.14 0.00 2.96 2.90 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 70 I 8.22 4.27 1.79 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 1.18 0.97 1.00 0.00 0.00 71 P 0.00 4.50 0.00 1.56 1.94 0.00 3.33 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 0.89 1.91 0.00 72 K 8.53 3.87 0.00 1.87 1.79 0.00 1.81 0.00 0.00 1.73 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.47 7.81 73 G 9.23 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 74 T 8.48 5.18 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 0.71 0.00 0.00 75 R 8.90 4.73 0.00 1.74 1.61 0.00 2.21 0.00 0.00 2.87 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.50 0.00 76 F 9.20 5.31 0.00 3.23 3.27 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 77 G 9.10 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 78 P 0.00 3.90 0.00 1.69 1.38 0.00 3.79 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 1.84 1.87 0.00 79 L 7.73 3.51 0.00 0.96 1.12 0.72 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.08 4.40 1.76 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 1.06 1.01 0.84 0.00 0.00 81 G 8.03 4.63 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 0.00 0.00 0.00 82 E 8.43 4.11 0.00 1.73 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 83 I 7.77 4.72 1.69 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.58 0.73 0.00 0.00 84 Y 8.79 5.14 0.00 2.88 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 85 T 8.67 4.68 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 1.21 0.00 0.00 86 N 9.05 4.43 0.00 2.82 2.98 0.00 0.00 6.93 8.08 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 87 D 8.20 4.54 0.00 2.69 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 88 T 7.16 4.63 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 1.26 0.00 0.00 89 V 7.60 3.27 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 0.81 0.00 0.00 0.82 0.00 0.00 90 P 0.00 3.82 0.00 1.90 1.89 0.00 2.98 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 *94 N 7.83 4.09 0.00 2.21 2.24 0.00 0.00 6.77 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 R 7.68 2.81 0.00 1.37 1.09 0.00 2.87 0.00 0.00 3.00 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.94 0.00 96 K 7.93 3.77 0.00 1.66 1.46 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.30 1.31 7.81 97 Y 7.91 4.57 0.00 3.42 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 98 F 7.92 5.23 0.00 2.96 3.08 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 0.00 0.00 0.00 0.00 99 W 9.74 5.17 0.00 3.32 3.38 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 0.00 100 R 9.38 4.77 0.00 2.07 1.71 0.00 3.37 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 2.00 0.00 101 I 8.43 4.59 1.39 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 1.13 0.76 0.72 0.00 0.00 102 Y 9.02 4.93 0.00 2.69 2.81 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 0.00 103 S 8.97 4.46 0.00 3.65 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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9.40 5.38 0.00 2.58 2.67 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 0.00 113 G 9.28 4.50 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 0.00 114 F 8.95 3.91 0.00 3.09 3.24 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 0.00 115 N 7.97 4.07 0.00 2.76 2.70 0.00 0.00 7.15 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.34 3.98 0.00 1.97 1.96 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 2.19 2.18 0.00 117 E 8.34 4.16 0.00 2.04 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 2.30 2.22 0.00 118 K 8.14 4.66 0.00 1.74 1.68 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.33 7.81 119 S 7.69 4.81 0.00 3.74 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 0.00 120 N 8.11 5.01 0.00 3.00 2.96 0.00 0.00 6.91 8.27 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 0.00 121 W 8.55 5.04 0.00 4.07 3.75 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 0.00 122 M 7.05 3.28 0.00 1.16 1.45 0.00 0.00 0.00 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.81 0.00 123 R 7.48 4.25 0.00 2.03 2.00 0.00 2.66 0.00 0.00 2.25 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 0.00 124 Y 8.19 4.75 0.00 3.52 3.12 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 0.00 125 V 7.50 4.04 2.43 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 0.74 0.00 0.00 1.26 0.00 0.00 126 N 8.67 4.88 0.00 2.82 2.72 0.00 0.00 6.90 8.03 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 0.00 127 P 0.00 5.09 0.00 2.24 2.08 0.00 3.76 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 128 A 8.87 4.17 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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7.50 4.89 1.43 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.11 0.61 0.00 0.00 146 Y 8.94 4.81 0.00 2.69 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 F 8.71 5.67 0.00 3.02 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 9.24 5.51 0.00 2.78 3.12 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 0.00 149 T 9.41 4.87 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 150 I 8.63 4.60 1.89 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 1.40 0.73 1.14 0.00 0.00 151 K 7.67 4.63 0.00 1.74 1.78 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.47 7.81 152 P 0.00 4.35 0.00 1.95 1.81 0.00 3.63 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 2.12 2.19 0.00 153 I 8.13 4.32 1.79 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.80 0.88 0.00 0.00 154 P 0.00 4.87 0.00 1.98 2.10 0.00 3.70 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.21 0.00 155 A 8.73 4.08 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 0.00 156 N 8.63 4.25 0.00 2.88 2.92 0.00 0.00 6.81 6.98 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 0.00 157 Q 7.72 4.79 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.00 0.00 0.00 0.00 0.00 0.00 2.59 2.42 0.00 158 E 8.65 4.54 0.00 1.99 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 2.58 0.00 159 L 8.63 4.53 0.00 1.70 1.62 0.86 0.93 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 0.00 160 L 9.51 5.00 0.00 1.65 1.50 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 161 V 8.52 4.83 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 0.58 0.00 0.00 0.13 0.00 0.00 162 W 8.72 5.20 0.00 3.34 2.92 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 0.00 163 Y 6.66 4.58 0.00 2.54 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 0.00 164 C 9.26 4.57 0.00 3.22 3.08 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 0.00 0.00 0.00 0.00 165 R 8.94 3.12 0.00 1.82 1.95 0.00 3.39 0.00 0.00 3.43 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.70 0.00 166 D 8.04 4.26 0.00 2.77 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 0.00 167 F 8.21 4.22 0.00 3.10 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 0.00 168 A 8.39 3.76 1.58 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 0.00 0.00 169 E 8.27 3.93 0.00 2.07 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 2.46 2.38 0.00 170 R 7.68 3.67 0.00 1.62 1.08 0.00 2.21 0.00 0.00 2.75 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.59 0.00 171 L 7.19 4.00 0.00 0.86 0.44 -0.36 1.14 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 0.00 172 H 7.54 4.12 0.00 3.31 3.41 0.00 5.63 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 Y 7.94 5.18 0.00 2.99 3.05 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 0.00 174 P 0.00 4.89 0.00 2.19 2.09 0.00 3.67 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.95 0.00 175 Y 7.71 5.17 0.00 3.48 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 0.00 176 P 0.00 4.38 0.00 2.21 2.09 0.00 4.06 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.07 0.00 177 G 8.91 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 178 E 7.56 3.69 0.00 1.16 1.43 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 2.09 1.83 0.00 179 L 8.38 4.30 0.00 1.71 1.60 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 180 T 8.47 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 1.18 0.00 0.00 181 M 8.41 4.04 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.65 0.00 182 M 8.05 4.04 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 183 N 7.95 4.41 0.00 2.92 2.89 0.00 0.00 7.13 7.28 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 0.00 184 L 7.97 4.24 0.00 1.64 1.74 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 185 T 7.43 4.58 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 1.24 0.00 0.00 186 Q 7.67 4.32 0.00 2.22 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.58 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 * Residues marked with a * may have inaccurate shift predictions.