NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 A 4.1714 8.2649 123.5808 51.8038 20.4022 176.3697 *2 K 4.0554 7.7268 115.9479 57.9279 33.3936 174.7863 3 N 4.3905 8.5874 115.1306 52.9901 36.3231 173.9212 4 R 5.2463 7.9253 114.9918 54.7374 33.5573 173.9194 5 A 5.1181 9.0007 126.7580 50.0180 23.1536 174.3658 6 L 4.1442 8.1282 122.4541 53.5836 43.7705 175.1849 7 L 4.7890 8.7584 129.2904 53.4205 44.2099 174.9750 8 L 5.0508 8.8399 128.2406 53.1701 43.8836 176.0483 9 I 4.1917 8.5950 126.9429 59.9029 38.5417 176.1394 10 D 4.7251 8.7215 128.7095 55.6113 39.2259 175.5561 11 F 4.9862 7.9608 115.9078 57.0404 37.7687 174.8606 12 Q 4.6054 7.2005 120.7660 53.2734 32.2817 177.4193 13 K 3.4096 8.0939 121.6411 59.5164 32.1065 178.5253 14 G 3.9087 8.2569 104.7554 46.0840 0.0000 174.5814 15 I 3.8951 7.6058 122.0288 63.6882 37.3372 176.6141 16 E 4.5368 8.1602 117.2059 56.1806 30.4429 175.5202 17 S 4.7854 8.4536 112.7183 55.8178 66.3105 173.2761 18 P 4.3112 0.0000 0.0000 65.8995 31.1192 178.1154 19 T 4.1922 7.4335 112.3524 64.9955 69.0435 174.8429 20 Q 4.4550 8.0105 119.9917 53.8780 29.7380 173.5415 21 Q 4.7244 8.2883 120.7519 54.4761 29.9125 176.3492 22 L 4.2629 9.3320 122.9885 54.6171 42.2278 176.1024 23 Y 4.3032 8.7144 124.8532 58.7840 38.5186 175.8521 24 R 3.5804 8.3895 127.2838 56.4034 28.1967 178.2885 25 L 3.9323 7.5207 119.9888 58.0228 41.9957 175.8973 26 P 4.0901 0.0000 0.0000 65.6086 31.3041 178.4121 27 A 3.9337 7.8405 118.9965 54.9431 18.3088 179.6833 28 V 3.5645 7.4346 115.7319 66.2717 31.5684 178.3733 29 L 3.7459 8.1317 119.0201 57.4740 41.3918 179.1720 30 D 4.2844 8.1869 119.1119 57.4098 40.9805 178.7951 31 K 3.9582 8.1042 119.9447 59.3724 32.1445 179.0467 32 V 3.5599 7.9056 118.6113 66.1272 31.5244 177.7314 33 N 4.4905 8.3440 116.4029 56.5272 38.3674 177.4198 34 Q 4.0529 8.0785 119.4041 58.9129 28.6877 178.8546 35 R 4.1161 7.9120 118.8149 58.9003 30.0881 178.7203 36 I 3.6765 8.3352 119.9190 64.5213 37.3036 177.7493 37 A 4.0027 8.0221 121.1685 55.5159 17.9485 179.5132 38 V 3.5644 7.7234 116.0419 66.7655 31.5262 177.9325 39 Y 3.7017 8.4718 116.2912 61.0427 37.6150 178.6634 40 R 4.1237 8.5057 119.3761 59.2899 29.8921 179.1382 41 Q 3.9784 7.9406 116.9429 58.3638 28.7146 177.3792 42 H 4.5757 7.6443 114.2080 54.3766 29.6830 174.4158 43 H 4.0355 7.4788 116.5113 56.9130 26.8091 174.3128 44 A 5.0140 8.3369 119.5818 49.2348 21.3344 176.5290 45 P 4.5651 0.0000 0.0000 63.3788 32.6462 175.0356 46 I 4.6055 8.5251 123.7043 59.4057 40.3297 174.3596 47 I 4.7572 8.5195 127.4840 59.5390 40.4420 174.3981 48 F 4.9888 8.7147 127.0085 56.2516 40.6229 175.1523 49 V 4.7337 8.7104 124.4241 61.5750 33.5113 174.4637 50 Q 4.8835 9.1663 126.6277 54.2598 31.8402 174.4761 51 H 5.1924 9.4548 124.9332 55.9674 30.8731 174.2065 52 E 5.2891 8.4745 121.5471 54.9260 32.7311 174.3042 53 E 4.7384 8.7520 118.4417 55.8200 32.7368 176.6682 54 T 3.6563 8.7287 109.2637 64.9082 68.4636 174.8846 55 E 4.3075 8.0708 118.1248 56.7200 30.6213 176.3904 56 L 4.8160 8.5587 121.4971 52.5792 42.2661 173.5229 57 P 4.5554 0.0000 0.0000 61.8190 32.4783 176.2432 58 F 3.1502 8.6510 124.4604 59.7243 39.3868 175.7251 59 G 2.6797 5.3800 114.7023 45.4170 0.0000 174.0969 60 S 4.3572 7.3183 114.7452 57.6889 65.2270 174.4000 61 D 4.8003 8.8242 123.2110 57.0621 40.5213 179.2715 62 S 4.1757 8.0285 114.0558 60.8112 63.0608 176.0008 63 W 4.3126 7.9496 131.0229 58.9204 30.8676 176.4940 64 Q 3.7113 7.3152 117.7598 55.2067 28.8193 175.7943 65 L 4.0804 7.7629 120.6038 54.2309 42.4000 177.0891 66 F 4.0978 8.1027 119.8871 58.1080 39.1500 177.0157 67 E 4.0906 8.9293 124.8524 58.6770 29.6181 178.2503 68 K 4.0655 8.0734 119.2339 58.8070 32.5443 177.2377 69 L 4.0227 7.4844 118.8176 54.8117 41.8380 177.0316 70 D 4.6242 8.5809 123.8462 53.4428 39.7323 175.8655 71 T 4.9365 7.9887 113.6088 59.8677 71.5623 174.2204 72 Q 4.6781 9.0480 120.0810 53.1884 32.6053 174.8502 73 P 4.3749 0.0000 0.0000 66.0318 31.0953 177.2604 74 T 3.9946 7.7914 111.5580 63.6102 67.6428 173.9250 75 D 4.3361 7.6500 120.5572 54.6774 41.8419 175.6496 76 F 4.9502 8.6282 118.6243 56.3350 41.3866 175.3607 77 F 5.3839 8.8962 119.4796 55.9648 42.4675 174.0761 78 I 4.6189 9.3057 124.8126 59.6098 39.5355 175.0666 79 R 5.2359 8.8160 126.3522 55.4449 31.4874 175.8370 80 K 4.9526 9.0637 121.1247 55.8507 36.2292 176.6802 81 T 4.5969 8.8383 108.5249 61.2187 70.3510 172.9646 82 H 4.9782 8.1152 120.2088 53.6491 33.2130 172.8900 83 A 3.9556 8.0877 125.2530 55.1351 18.4356 177.1989 84 N 4.5512 8.4366 114.8992 53.2913 38.7836 175.3288 85 A 4.1423 8.6364 129.9623 54.2113 18.2359 177.8188 86 F 4.3766 8.9420 114.5255 58.2869 39.7904 174.9983 87 Y 4.3006 8.0353 121.8058 57.8451 37.8067 174.6026 88 Q 3.3852 8.4354 127.4169 57.2249 26.1389 173.3140 89 T 4.6793 7.4045 105.8136 59.7958 71.8482 173.4572 90 N 4.8272 8.3828 116.0691 52.8872 37.5137 176.4072 91 L 3.7652 7.6308 124.3000 58.9531 42.1523 178.6128 92 N 4.5256 8.3217 116.2725 56.7929 38.8025 176.4234 93 D 4.3660 8.0501 120.0441 57.0222 41.0962 178.0751 94 L 3.8136 8.2895 121.2708 58.2549 41.9954 179.0868 95 L 3.9628 8.1195 119.0025 57.9699 41.4312 179.6938 96 T 3.8629 8.0465 115.6286 66.7827 68.2784 176.1068 97 E 3.9033 8.0814 119.9065 59.3314 29.6005 178.0679 98 Q 4.2212 7.9814 114.5015 54.4731 29.9638 175.2489 99 A 3.6989 7.9949 123.8110 52.9260 16.6753 177.4236 100 V 4.3773 8.1340 120.5512 61.8564 32.8702 174.8653 101 Q 4.5907 8.9658 128.5901 56.7170 31.2595 174.9736 102 T 5.2254 7.9912 115.3969 61.5268 72.0624 172.9338 103 L 5.0868 9.1763 126.0466 52.8863 44.9729 174.9648 104 E 4.8184 9.0261 125.8290 54.9280 30.9931 174.4207 105 I 4.9184 8.4414 128.4552 59.6200 39.3191 175.1234 106 A 4.6861 9.3998 126.8795 50.0558 23.4844 176.6490 107 G 2.7315 6.9250 104.5793 45.0647 0.0000 172.2236 108 V 4.8429 7.0468 112.0852 59.6369 35.7807 175.1553 109 Q 4.7459 8.4398 120.5938 55.0302 30.4157 176.9727 110 T 4.1016 8.4807 120.1222 66.9313 68.5249 175.8049 111 E 3.9492 7.8404 115.3740 56.7554 31.9340 177.1067 112 F 4.5022 8.2998 117.9930 58.3504 39.4937 177.3344 113 C 4.7870 9.3430 126.5352 62.8896 28.7491 174.9900 114 V 3.4080 7.6510 119.3341 65.8775 31.3717 177.0387 115 D 4.2569 8.1832 117.6742 57.9069 40.8391 178.2634 116 T 3.8473 7.8304 114.6664 67.3731 68.6463 176.3717 117 T 4.1273 7.7554 115.6955 66.4522 68.6717 176.7474 118 I 3.7182 7.5778 121.8679 64.2064 37.0287 179.6348 119 R 3.3521 7.3989 115.5256 56.5388 29.5725 178.4457 *121 A 4.1470 7.9463 123.9441 52.5860 20.7842 179.4987 122 H 4.4003 8.5409 115.5649 59.3222 30.1312 177.7279 123 G 3.6697 8.1342 107.2347 48.4753 0.0000 174.3551 124 L 3.9567 7.6919 117.4552 55.5939 41.9303 177.6498 125 G 3.8314 8.0152 107.3206 44.9874 0.0000 173.3087 126 Y 4.3825 7.5588 116.8666 57.9734 39.0065 175.5259 127 T 4.3875 9.1149 120.3401 63.2992 70.0657 173.5169 128 C 5.2338 8.7848 123.8997 58.3153 31.2439 173.1467 129 L 5.5358 8.7130 122.4708 52.3993 45.6185 174.9182 *131 T 4.3977 8.4048 115.1303 63.3743 69.5120 172.2065 132 P 4.5625 0.0000 0.0000 64.1880 32.0632 175.9408 133 K 3.9989 8.8500 118.6980 58.6736 29.6030 175.8710 134 T 4.9517 8.1247 104.4542 61.4883 70.4866 173.6118 135 T 5.8251 8.2116 110.4950 60.0785 71.9655 172.6053 136 S 4.8195 8.4538 115.7195 58.2327 66.8505 172.3175 137 T 4.9188 8.2266 115.3135 61.7215 70.2175 171.8562 138 L 5.1372 8.3873 119.9084 52.6515 44.3989 176.1723 139 D 4.6454 8.5870 120.8218 54.8927 41.1764 176.3145 140 N 4.8772 9.0531 118.8527 52.3488 37.9762 175.3824 141 G 3.9952 8.5619 107.9681 45.6310 0.0000 173.9798 142 H 4.7484 8.0031 114.3831 56.2826 31.2000 174.3393 143 L 4.9571 7.4398 117.3025 52.1707 45.3938 176.1257 144 T 4.4759 8.6234 112.2753 61.0420 70.9952 175.5891 145 A 3.8232 8.9055 124.6050 55.5884 18.2195 180.1932 146 A 3.5767 7.1798 118.2921 55.1731 18.4254 179.6990 147 Q 3.8348 7.7335 116.0272 59.0414 28.8066 178.9996 148 I 3.6411 7.8397 120.9566 64.4736 37.1853 178.4038 149 I 3.5847 8.1335 120.6859 64.4569 37.0352 178.1295 150 Q 3.8458 8.1203 120.3843 59.4292 28.7823 177.9967 151 H 3.9981 8.1960 119.0007 59.6804 29.9549 177.0535 152 H 3.6199 7.9557 117.8710 58.5844 28.4886 177.7242 153 E 3.5009 7.6556 120.1062 58.9701 28.9852 179.1317 154 A 3.9636 7.4512 119.9610 55.2279 18.4719 179.4565 155 I 3.8231 7.0608 116.6863 64.4514 37.4537 178.4745 156 W 5.0857 8.2374 119.6167 58.5771 29.0018 175.6262 157 A 4.4201 8.2044 123.0110 55.1970 17.9076 176.2872 158 G 4.1303 9.3073 111.6930 46.3197 0.0000 174.3927 159 R 3.8483 7.6716 118.2473 58.3024 30.2312 177.0558 160 F 4.5571 7.9786 113.7994 57.6451 40.8768 174.8887 161 L 4.7350 7.5578 119.0081 55.2027 44.0803 174.0481 162 T 4.9011 8.4007 115.7042 61.5140 70.8795 174.3669 163 F 4.3144 9.0289 125.5601 57.4374 39.6399 175.5808 164 L 4.4026 8.6745 122.9687 54.4605 42.5792 176.4305 165 S 4.7058 8.3329 118.3280 57.7934 64.4325 175.3995 166 L 4.2418 8.3455 121.3994 54.7122 40.7181 177.9347 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 0 A 8.26 4.17 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 *2 K 7.73 4.06 0.00 1.79 1.81 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.36 1.48 7.81 3 N 8.59 4.39 0.00 2.96 2.96 0.00 0.00 6.98 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 4 R 7.93 5.25 0.00 1.91 1.78 0.00 3.21 0.00 0.00 3.28 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 5 A 9.00 5.12 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.13 4.14 0.00 0.27 0.80 0.64 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.76 4.79 0.00 1.53 1.32 0.68 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.84 5.05 0.00 1.43 1.92 0.47 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 9 I 8.60 4.19 1.66 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.56 0.85 0.00 0.00 10 D 8.72 4.73 0.00 2.88 2.69 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 11 F 7.96 4.99 0.00 3.29 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 12 Q 7.20 4.61 0.00 1.84 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.54 6.88 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 13 K 8.09 3.41 0.00 1.60 1.83 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.46 1.20 7.81 14 G 8.26 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 I 7.61 3.90 2.01 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 1.54 1.01 0.99 0.00 0.00 16 E 8.16 4.54 0.00 2.19 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 0.00 2.50 2.62 0.00 17 S 8.45 4.79 0.00 4.03 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 18 P 0.00 4.31 0.00 2.08 2.19 0.00 3.69 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 2.05 2.14 0.00 19 T 7.43 4.19 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 1.23 0.00 0.00 20 Q 8.01 4.45 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.02 6.96 0.00 0.00 0.00 0.00 0.00 2.29 2.32 0.00 21 Q 8.29 4.72 0.00 2.08 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.92 0.00 0.00 0.00 0.00 0.00 2.37 2.34 0.00 22 L 9.33 4.26 0.00 1.80 1.69 1.18 0.81 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 23 Y 8.71 4.30 0.00 2.90 2.96 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 24 R 8.39 3.58 0.00 1.59 1.71 0.00 2.70 0.00 0.00 3.02 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 25 L 7.52 3.93 0.00 1.69 1.54 0.87 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 26 P 0.00 4.09 0.00 2.11 2.01 0.00 3.48 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 2.03 2.06 0.00 27 A 7.84 3.93 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 28 V 7.43 3.56 2.26 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 1.24 0.00 0.00 1.04 0.00 0.00 29 L 8.13 3.75 0.00 1.66 1.51 0.52 0.59 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 30 D 8.19 4.28 0.00 2.81 2.69 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 31 K 8.10 3.96 0.00 1.89 1.83 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.53 7.81 32 V 7.91 3.56 1.86 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 0.68 0.00 0.00 0.92 0.00 0.00 33 N 8.34 4.49 0.00 2.98 2.86 0.00 0.00 7.09 8.56 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 34 Q 8.08 4.05 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.83 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 35 R 7.91 4.12 0.00 2.01 2.09 0.00 3.39 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.87 0.00 36 I 8.34 3.68 2.08 0.00 0.00 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 1.38 0.82 1.04 0.00 0.00 37 A 8.02 4.00 1.42 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 0.00 0.00 38 V 7.72 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 0.85 0.00 0.00 1.02 0.00 0.00 39 Y 8.47 3.70 0.00 3.11 3.23 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 40 R 8.51 4.12 0.00 1.99 1.99 0.00 3.16 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.93 0.00 41 Q 7.94 3.98 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.37 2.65 0.00 42 H 7.64 4.58 0.00 2.93 3.26 0.00 6.00 0.00 0.00 0.00 0.00 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 H 7.48 4.04 0.00 3.24 3.37 0.00 5.82 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 44 A 8.34 5.01 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 45 P 0.00 4.57 0.00 2.22 2.51 0.00 3.97 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.09 0.00 46 I 8.53 4.61 1.90 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 1.18 1.02 0.32 0.00 0.00 47 I 8.52 4.76 1.69 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.70 0.82 0.00 0.00 48 F 8.71 4.99 0.00 2.89 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 49 V 8.71 4.73 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 1.02 0.00 0.00 0.81 0.00 0.00 50 Q 9.17 4.88 0.00 1.94 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 1.78 2.12 0.00 51 H 9.45 5.19 0.00 3.52 3.22 0.00 5.70 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 E 8.47 5.29 0.00 2.14 2.23 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 2.47 2.29 0.00 53 E 8.75 4.74 0.00 2.17 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 0.00 2.18 2.33 0.00 54 T 8.73 3.66 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 55 E 8.07 4.31 0.00 1.99 2.04 0.00 0.00 0.00 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 2.24 0.00 56 L 8.56 4.82 0.00 1.69 1.60 0.98 0.67 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 57 P 0.00 4.56 0.00 2.18 1.95 0.00 3.71 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 2.11 2.26 0.00 58 F 8.65 3.15 0.00 2.78 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 59 G 5.38 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 0.00 0.00 0.00 60 S 7.32 4.36 0.00 4.03 3.86 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 61 D 8.82 4.80 0.00 2.71 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 62 S 8.03 4.18 0.00 4.06 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 W 7.95 4.31 0.00 3.21 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 64 Q 7.32 3.71 0.00 2.25 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.03 6.76 0.00 0.00 0.00 0.00 0.00 2.59 2.77 0.00 65 L 7.76 4.08 0.00 1.41 1.46 0.43 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 66 F 8.10 4.10 0.00 3.10 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 67 E 8.93 4.09 0.00 1.99 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 2.31 2.31 0.00 68 K 8.07 4.07 0.00 1.69 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.90 5.38 0.00 3.01 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 78 I 9.31 4.62 1.88 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 1.24 0.98 0.90 0.00 0.00 79 R 8.82 5.24 0.00 1.79 2.20 0.00 3.16 0.00 0.00 3.26 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.90 0.00 80 K 9.06 4.95 0.00 1.87 1.89 0.00 1.45 0.00 0.00 1.71 0.00 0.00 2.85 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.40 1.54 7.81 81 T 8.84 4.60 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 1.23 0.00 0.00 82 H 8.12 4.98 0.00 3.24 3.38 0.00 5.95 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 83 A 8.09 3.96 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 84 N 8.44 4.55 0.00 2.84 2.89 0.00 0.00 7.10 8.07 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 85 A 8.64 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 F 8.94 4.38 0.00 3.35 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 87 Y 8.04 4.30 0.00 2.95 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 88 Q 8.44 3.39 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.54 0.00 0.00 0.00 0.00 0.00 1.75 1.16 0.00 89 T 7.40 4.68 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 1.38 0.00 0.00 90 N 8.38 4.83 0.00 2.97 3.07 0.00 0.00 5.56 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 91 L 7.63 3.77 0.00 1.57 1.41 0.65 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 92 N 8.32 4.53 0.00 3.14 2.95 0.00 0.00 7.13 8.49 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 93 D 8.05 4.37 0.00 2.91 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 94 L 8.29 3.81 0.00 1.62 1.71 0.36 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 95 L 8.12 3.96 0.00 1.98 1.85 0.53 0.89 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 96 T 8.05 3.86 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 97 E 8.08 3.90 0.00 1.93 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 2.28 2.37 0.00 98 Q 7.98 4.22 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.37 0.00 0.00 0.00 0.00 0.00 2.13 1.93 0.00 99 A 7.99 3.70 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 0.00 100 V 8.13 4.38 2.23 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 0.85 0.00 0.00 0.97 0.00 0.00 101 Q 8.97 4.59 0.00 2.22 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 102 T 7.99 5.23 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 1.28 0.00 0.00 103 L 9.18 5.09 0.00 1.46 1.42 0.51 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 104 E 9.03 4.82 0.00 2.13 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 2.21 2.29 0.00 105 I 8.44 4.92 1.66 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 0.99 0.61 0.68 0.00 0.00 106 A 9.40 4.69 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 0.00 107 G 6.93 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 0.00 0.00 0.00 108 V 7.05 4.84 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 0.86 0.00 0.00 0.94 0.00 0.00 109 Q 8.44 4.75 0.00 2.41 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.73 0.00 0.00 0.00 0.00 0.00 2.53 2.47 0.00 110 T 8.48 4.10 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 1.17 0.00 0.00 111 E 7.84 3.95 0.00 1.58 1.56 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 1.47 1.47 0.00 112 F 8.30 4.50 0.00 3.10 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 0.00 113 C 9.34 4.79 0.00 3.09 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 0.00 114 V 7.65 3.41 2.36 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 0.77 0.00 0.00 0.89 0.00 0.00 115 D 8.18 4.26 0.00 3.32 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 0.00 116 T 7.83 3.85 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 1.28 0.00 0.00 117 T 7.76 4.13 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 1.09 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 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 128 C 8.78 5.23 0.00 3.06 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 0.00 129 L 8.71 5.54 0.00 1.51 1.56 0.96 0.91 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 *131 T 8.40 4.40 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 1.30 0.00 0.00 132 P 0.00 4.56 0.00 2.11 2.03 0.00 3.97 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.34 0.00 133 K 8.85 4.00 0.00 1.94 1.94 0.00 1.61 0.00 0.00 1.79 0.00 0.00 3.14 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 T 8.12 4.95 4.40 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 1.36 0.00 0.00 135 T 8.21 5.83 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 1.55 0.00 0.00 136 S 8.45 4.82 0.00 4.02 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 0.00 137 T 8.23 4.92 4.37 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 1.20 0.00 0.00 138 L 8.39 5.14 0.00 1.72 1.60 0.99 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.59 4.65 0.00 2.68 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 N 9.05 4.88 0.00 2.87 2.92 0.00 0.00 7.16 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 8.56 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 0.00 0.00 0.00 142 H 8.00 4.75 0.00 3.13 3.30 0.00 5.65 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.44 4.96 0.00 1.67 1.45 0.88 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 144 T 8.62 4.48 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 1.16 0.00 0.00 145 A 8.91 3.82 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 0.00 146 A 7.18 3.58 1.02 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 0.00 0.00 147 Q 7.73 3.83 0.00 2.25 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.74 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 148 I 7.84 3.64 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.97 0.90 0.00 0.00 149 I 8.13 3.58 1.86 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.79 0.94 0.00 0.00 150 Q 8.12 3.85 0.00 2.15 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.81 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 151 H 8.20 4.00 0.00 3.25 3.39 0.00 5.83 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 0.00 152 H 7.96 3.62 0.00 2.89 2.30 0.00 5.87 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 0.00 153 E 7.66 3.50 0.00 1.93 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 2.44 2.07 0.00 154 A 7.45 3.96 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 0.00 155 I 7.06 3.82 1.91 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.50 1.20 0.00 0.00 156 W 8.24 5.09 0.00 3.62 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 0.00 157 A 8.20 4.42 1.55 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 0.00 158 G 9.31 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 R 7.67 3.85 0.00 1.64 1.89 0.00 3.21 0.00 0.00 2.98 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.10 0.00 160 F 7.98 4.56 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 0.00 161 L 7.56 4.74 0.00 1.71 1.70 0.43 0.18 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 0.00 162 T 8.40 4.90 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 1.28 0.00 0.00 163 F 9.03 4.31 0.00 3.03 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 0.00 164 L 8.67 4.40 0.00 1.73 1.67 1.02 0.93 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 0.00 165 S 8.33 4.71 0.00 3.89 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 L 8.35 4.24 0.00 1.66 1.44 0.92 0.75 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 * Residues marked with a * may have inaccurate shift predictions.