NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.7098 8.3549 109.7233 45.1830 0.0000 172.3183 *2 F 4.7518 8.3813 117.0983 57.8509 40.0141 174.4118 3 T 4.6980 8.3151 119.8271 62.3912 72.9094 172.5334 4 C 4.5706 8.6964 125.0362 57.6008 33.6563 172.6004 5 K 4.3725 8.5688 128.7125 55.5357 31.8069 176.5223 6 V 3.7651 8.5817 128.1069 64.5572 31.9539 175.6154 7 N 4.5045 8.7770 114.4740 53.1712 40.0142 175.5789 8 E 3.5153 7.5536 118.8686 56.3498 29.8054 176.8120 9 H 4.5253 10.1996 113.1071 55.0401 32.4451 173.3211 10 I 4.9520 7.5087 119.5279 59.5742 39.3530 174.9713 11 T 5.0462 8.8683 117.2686 59.7994 72.4360 172.8380 12 I 5.0521 8.3676 123.6849 59.7380 40.3463 174.8494 13 R 4.7896 8.3817 120.9542 54.6178 32.9973 174.3985 14 L 4.2378 8.2448 120.2983 55.0476 42.3340 177.2220 15 L 4.5236 8.3596 122.0961 54.1211 43.2141 175.7200 16 E 4.8568 9.1426 118.4829 53.2517 33.5958 175.2878 17 P 4.2902 0.0000 0.0000 66.0312 31.1620 179.0035 18 K 4.0078 8.0483 114.9738 59.5588 32.5930 177.8478 19 D 4.5383 8.4830 119.2885 55.3839 40.7590 177.8745 20 A 4.0412 8.3118 123.4792 55.0966 18.3703 179.7357 21 E 3.9533 8.0879 116.7507 59.6822 29.6904 179.6200 22 R 3.9751 7.9069 117.5606 58.7264 29.9954 178.8049 23 L 3.8685 7.6856 119.9586 57.8543 42.1663 178.3626 24 A 3.8794 7.4756 120.3148 55.4694 18.2680 179.3269 25 E 3.9004 8.2032 117.5132 59.2357 29.5458 178.6402 26 L 4.0772 7.8712 119.2644 57.6355 42.3242 178.1721 27 I 4.0190 7.3779 118.9018 63.0812 37.2436 177.9915 28 I 3.8345 7.7422 121.1439 63.6740 36.7559 177.3545 29 Q 4.2040 7.9479 115.8097 57.3303 28.9440 175.8230 30 N 4.9965 7.5914 118.7317 52.2821 41.0102 173.8522 31 Q 3.1836 9.3229 130.6580 56.9758 25.8290 173.6989 32 Q 4.5663 8.7007 126.0847 55.7369 28.4237 175.4808 33 R 4.1910 8.0617 114.7174 58.3008 30.1748 177.3429 34 L 5.0811 7.8470 117.6201 54.2308 41.7402 183.6781 35 G 3.8978 9.9663 104.7158 48.4975 0.0000 175.8102 36 K 4.1279 8.0683 120.2170 58.3714 32.3214 178.7268 37 W 3.9982 7.8862 118.4978 60.2186 29.9196 175.4014 38 L 4.0916 6.2778 117.9953 55.0873 43.3494 173.6612 39 F 3.6449 8.4976 118.2503 59.0921 41.5197 177.6080 40 F 3.8579 8.0762 108.2906 56.7090 38.4520 174.0694 *44 P 4.3307 0.0000 0.0000 63.1018 31.7214 175.4581 45 S 4.5213 8.0829 117.6021 58.2422 64.6340 176.6710 46 S 4.7694 7.6823 116.2697 56.4366 66.2318 174.5518 47 A 4.2119 8.5664 122.7452 55.6690 17.3951 178.9827 48 D 4.3023 8.1919 115.6306 58.1971 41.2658 178.7528 49 T 3.9269 7.4557 114.5186 66.4466 68.2519 176.6527 50 Y 3.8451 8.2840 119.3509 61.0063 37.7531 178.2020 51 R 4.0102 8.4162 118.3389 58.2090 30.2876 177.0915 52 E 4.6834 7.7000 114.0662 56.6873 31.3392 175.7908 53 T 4.4756 7.4770 114.3239 64.1693 72.7314 175.9330 54 I 3.1764 7.8881 121.5022 64.3374 37.1561 178.7786 55 I 3.8265 7.7702 120.5453 63.9215 37.0157 176.4797 56 P 4.2699 0.0000 0.0000 65.9472 31.2307 178.0292 57 D 4.4397 8.1995 117.5670 57.4175 40.7380 178.9791 58 W 4.7625 8.1420 119.1023 60.1955 29.1323 178.8202 59 R 4.0891 8.1302 117.6119 59.4513 29.5629 179.1405 60 R 4.1110 8.6759 119.1558 59.4341 29.9982 178.5022 61 Q 4.1016 8.8393 117.9260 59.0126 28.5821 177.8994 62 Y 4.1926 8.3300 121.5693 60.7092 38.7109 177.4156 63 A 3.8352 8.3922 120.6127 55.4728 18.5069 178.5890 64 D 4.4950 8.0139 113.7578 53.9950 41.0186 176.5118 65 L 3.5836 7.7886 118.7980 55.6980 39.5789 174.7966 66 N 4.7326 8.1180 117.4703 51.1530 36.8333 174.9847 67 G 4.1524 9.0184 110.3991 46.1626 0.0000 170.3343 68 I 4.6518 8.5817 119.2350 59.3901 40.9263 174.5651 69 E 4.6257 8.9244 126.5353 54.6900 30.1532 174.8860 70 A 4.6868 8.5035 125.8553 49.6492 22.6087 175.3427 71 G 3.7857 8.7579 106.5216 45.3067 0.0000 172.9171 72 L 4.9414 8.9529 122.9522 52.8750 43.9981 175.5772 73 L 4.8879 8.8930 123.3282 52.9775 45.1665 174.6847 74 Y 4.6094 9.1032 125.9493 55.6961 40.5686 175.4220 75 D 4.3422 9.1008 129.7568 55.5314 38.6494 175.1855 76 G 3.9353 8.1051 104.0431 45.7466 0.0000 173.1512 77 S 4.6243 7.4486 115.4204 55.8881 65.8172 173.2857 78 L 4.2434 8.4004 125.5411 55.7315 41.5571 176.2381 79 C 4.1052 9.3366 121.2750 56.7246 31.4043 175.1315 80 G 3.1066 6.5376 109.2849 45.4379 0.0000 173.0806 *82 I 4.2038 7.6307 124.8604 60.7074 39.3704 173.6337 83 S 5.0556 8.8427 121.1267 56.7743 67.0592 172.8099 84 L 5.0060 9.2137 125.1799 54.1358 43.2355 174.4118 85 H 5.4152 8.4563 122.7241 53.3022 32.4171 172.7389 86 N 4.1258 8.5572 111.7376 54.4190 35.8875 174.5649 87 L 4.3390 7.6269 116.2753 54.4812 43.1258 177.2717 88 D 4.6934 8.8952 122.5043 52.1300 42.2809 175.9776 89 Q 3.9490 8.6246 125.4430 58.7986 29.1844 179.1999 90 V 3.5486 7.9433 115.8023 65.8519 31.4104 176.1242 91 N 4.6747 8.5008 113.7751 52.3543 38.8978 174.8721 92 R 3.8967 7.8914 117.3457 56.6753 28.3086 175.4818 93 K 5.5797 8.2097 113.9539 55.4357 37.0012 175.0284 94 A 5.2936 8.1462 120.9567 52.0713 23.0326 174.5624 95 E 5.8082 8.7599 117.3643 53.9058 33.8263 175.5574 96 I 5.0646 8.3944 121.0897 59.7016 40.9826 174.8610 97 G 4.2113 8.7976 112.4556 44.7383 0.0000 170.3072 98 Y 5.0062 7.0352 116.7852 56.5248 40.0601 172.8775 99 W 4.0863 7.3688 113.2868 56.3039 30.4062 173.3852 100 I 3.9565 7.6199 120.1874 58.7169 41.0927 174.4642 101 A 4.5289 8.7493 126.5261 51.3707 19.3001 178.7161 102 K 3.8766 9.1810 122.7001 59.9472 32.4317 179.1265 103 E 3.3432 7.9750 117.5130 58.9246 29.6364 177.4421 104 F 4.4863 8.2416 115.0673 56.9394 38.9464 175.8268 105 E 4.0506 8.7740 122.7614 57.5528 30.0400 178.4310 106 G 3.7416 8.8071 108.7430 45.9129 0.0000 174.8172 107 K 4.1760 7.4677 117.8376 56.0712 32.1546 177.5607 108 G 3.9379 7.9220 106.2609 46.6550 0.0000 176.2117 109 I 3.6671 7.6887 121.4748 64.2333 37.1724 178.0567 110 I 3.4191 7.5692 119.9283 64.7024 36.8708 178.1884 111 T 3.6918 7.7902 115.4717 66.7290 68.3504 175.7986 112 A 3.9673 8.1640 122.2065 55.5893 18.3207 179.4877 113 A 3.9352 8.5398 118.8377 55.3205 18.4481 179.4361 114 C 4.0763 8.5342 115.5323 63.1509 28.2324 176.4578 115 R 4.0476 8.1722 119.4243 59.4124 29.8585 179.1105 116 K 3.9857 8.1189 117.9602 59.6617 32.1402 179.1527 117 L 4.0297 8.7287 121.0850 58.0152 41.7901 179.2594 118 I 3.4269 8.2613 120.2707 64.5457 36.9241 178.0695 119 T 3.9245 8.0926 116.6913 67.2177 68.4876 175.8316 120 Y 4.1154 8.0555 120.4897 60.5879 38.8556 177.6515 121 A 3.7436 7.9497 121.7351 55.0636 18.5341 179.5916 122 F 4.5087 7.9362 116.3588 60.3562 38.9056 177.9731 123 E 4.1746 9.0786 118.0905 58.5114 29.7169 177.4534 124 E 4.3230 7.7507 116.1343 57.1240 30.5677 176.9798 125 L 4.1633 7.3337 116.2048 53.9094 42.8282 175.8196 126 E 4.2939 7.7539 115.7885 56.7667 26.4389 174.3606 127 L 4.4113 7.8026 117.3113 54.4931 43.1926 176.8247 128 N 4.6418 8.8556 118.8439 54.6231 40.7153 174.6725 129 R 5.2365 8.0135 117.9603 54.3760 34.1667 174.1295 130 V 4.9632 8.8921 124.1224 61.1373 34.9139 174.0138 131 A 5.6797 9.5369 128.9754 50.4013 22.7761 174.8048 132 I 5.1371 9.6382 120.4175 59.6780 41.4141 174.4556 133 C 5.3359 8.4713 119.3083 56.7452 33.0304 172.6277 134 A 4.5376 8.4726 117.9885 50.3347 22.7139 175.6545 135 A 4.2298 8.6238 121.8260 52.6390 18.8169 178.7622 136 V 3.4488 8.7047 122.5888 63.5191 31.6912 177.8378 137 G 4.0582 7.5390 108.9548 44.9950 0.0000 174.4825 138 N 4.6771 7.5810 117.5944 50.2105 39.2164 173.7722 139 E 3.8842 8.3927 122.4590 59.2852 29.6974 178.4479 140 K 3.8590 7.9529 116.2306 59.8673 32.5029 178.6057 141 S 4.3984 7.6458 112.5231 60.9578 62.0187 176.2925 142 R 3.9457 8.1819 120.4473 58.4782 29.6487 178.4954 143 A 3.8585 7.7367 120.7503 54.2099 18.4552 179.5893 144 V 3.4138 7.2326 115.9856 65.9058 31.5434 176.3959 145 P 3.6152 0.0000 0.0000 65.3013 31.0117 178.5837 146 E 4.0072 7.4140 117.2041 59.3179 29.2272 179.1437 147 R 3.9741 7.9186 117.2304 59.6454 30.3032 178.7658 148 I 4.1863 7.7097 117.2493 62.3394 37.2528 176.8722 149 G 4.0852 7.9335 107.5115 45.5007 0.0000 173.6989 150 F 4.6223 8.7146 117.7191 57.0445 40.0356 174.9765 151 L 4.9996 8.9535 121.3562 52.6174 44.3698 175.7735 152 E 3.6924 9.0831 124.3921 56.9362 29.3728 176.0587 153 E 4.5345 10.7800 126.8137 55.2829 32.0345 176.3176 154 G 4.2880 7.1325 108.0943 44.4918 0.0000 170.7132 155 K 5.1597 7.9774 118.7074 54.3924 34.8837 176.1969 156 A 4.5855 9.1764 126.7705 50.4623 20.1191 176.9025 157 R 4.1965 8.7084 121.9437 57.6116 30.8653 176.9132 158 D 4.5308 8.9776 123.7665 55.3781 39.1035 175.3157 159 G 3.7840 8.2627 107.4513 47.1221 0.0000 174.1608 160 L 4.7568 7.9314 119.6939 53.1141 44.3484 175.0401 161 Y 3.7364 7.9600 120.8921 55.3480 39.0003 173.3260 162 V 3.9727 7.5102 123.2035 61.0044 32.0034 173.9273 163 N 3.9843 9.2348 124.3127 54.7434 35.3111 174.5016 164 G 3.8508 8.0160 114.3640 46.3245 0.0000 170.8222 *166 H 4.7594 7.7409 111.2446 55.6292 30.1576 173.1599 167 H 5.0222 8.2541 116.7308 53.8716 33.4695 172.3390 168 D 5.0947 8.5555 119.0110 54.2586 42.6249 175.3243 169 L 5.1001 8.7474 121.3678 53.1397 44.3277 175.9479 170 V 4.7221 8.5296 123.1554 60.3541 34.1539 174.2388 171 Y 5.1814 8.6423 120.3617 56.5048 40.8902 174.1817 172 Y 5.3976 9.5610 122.1028 56.2182 41.4470 174.9323 173 S 5.5388 9.5304 117.4980 56.5503 67.1508 172.5815 174 L 4.7392 8.9221 122.9932 53.3070 44.8171 175.1944 175 L 4.8408 8.7684 126.4894 53.4887 43.3032 177.4560 176 K 2.4800 8.8056 125.8022 59.1299 32.0154 179.1507 177 R 4.0093 7.7624 112.7970 58.8607 29.1883 176.2684 178 E 4.4313 8.1295 118.4326 55.8631 29.6535 176.4039 179 W 4.3859 7.9616 134.6737 57.9775 31.1029 173.6325 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 G 8.35 3.71 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 0.00 0.00 0.00 *2 F 8.38 4.75 0.00 3.09 2.95 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 3 T 8.32 4.70 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 1.18 0.00 0.00 4 C 8.70 4.57 0.00 2.90 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 5 K 8.57 4.37 0.00 1.77 1.70 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.87 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 6 V 8.58 3.77 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 0.87 0.00 0.00 0.88 0.00 0.00 7 N 8.78 4.50 0.00 2.88 2.83 0.00 0.00 7.23 7.27 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 8 E 7.55 3.52 0.00 1.87 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 9 H 10.20 4.53 0.00 2.79 2.25 0.00 5.57 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.51 4.95 1.83 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 1.46 0.75 0.86 0.00 0.00 11 T 8.87 5.05 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 1.12 0.00 0.00 12 I 8.37 5.05 1.77 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 1.17 0.65 0.82 0.00 0.00 13 R 8.38 4.79 0.00 1.78 1.89 0.00 2.72 0.00 0.00 3.10 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.52 0.00 14 L 8.24 4.24 0.00 1.41 1.57 0.64 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.36 4.52 0.00 1.81 1.71 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 16 E 9.14 4.86 0.00 1.95 1.79 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 2.23 2.25 0.00 17 P 0.00 4.29 0.00 2.17 2.16 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.22 0.00 18 K 8.05 4.01 0.00 1.91 1.96 0.00 1.57 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.54 7.81 19 D 8.48 4.54 0.00 2.87 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 20 A 8.31 4.04 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 21 E 8.09 3.95 0.00 2.02 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 2.41 2.41 0.00 22 R 7.91 3.98 0.00 1.82 1.94 0.00 3.10 0.00 0.00 3.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 23 L 7.69 3.87 0.00 1.73 1.36 1.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 24 A 7.48 3.88 1.46 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 0.00 0.00 25 E 8.20 3.90 0.00 2.07 1.95 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 2.32 2.32 0.00 26 L 7.87 4.08 0.00 2.01 1.92 0.98 0.95 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 27 I 7.38 4.02 2.04 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.54 0.84 0.00 0.00 28 I 7.74 3.83 1.88 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 1.60 1.06 0.92 0.00 0.00 29 Q 7.95 4.20 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.48 2.42 0.00 30 N 7.59 5.00 0.00 2.87 2.78 0.00 0.00 6.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 Q 9.32 3.18 0.00 2.22 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 5.55 0.00 0.00 0.00 0.00 0.00 2.22 2.15 0.00 32 Q 8.70 4.57 0.00 2.30 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.46 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.46 0.00 33 R 8.06 4.19 0.00 1.98 2.08 0.00 3.28 0.00 0.00 3.30 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.94 0.00 34 L 7.85 5.08 0.00 1.54 1.62 0.92 0.76 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 35 G 9.97 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 0.00 0.00 0.00 36 K 8.07 4.13 0.00 1.75 1.67 0.00 1.68 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.27 1.43 7.81 37 W 7.89 4.00 0.00 3.63 3.54 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 38 L 6.28 4.09 0.00 2.01 1.95 0.90 0.75 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 39 F 8.50 3.64 0.00 3.06 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 40 F 8.08 3.86 0.00 3.31 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *44 P 0.00 4.33 0.00 2.11 2.01 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.09 0.00 45 S 8.08 4.52 0.00 3.78 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 46 S 7.68 4.77 0.00 4.10 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 47 A 8.57 4.21 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 48 D 8.19 4.30 0.00 2.73 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 49 T 7.46 3.93 4.15 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 0.92 0.00 0.00 50 Y 8.28 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 G 9.02 4.15 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 0.00 68 I 8.58 4.65 1.89 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 1.39 0.84 0.81 0.00 0.00 69 E 8.92 4.63 0.00 1.20 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 1.83 1.47 0.00 70 A 8.50 4.69 1.06 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 0.00 0.00 71 G 8.76 3.79 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 0.00 0.00 0.00 72 L 8.95 4.94 0.00 1.16 1.34 0.59 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.89 4.89 0.00 1.51 1.43 0.83 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 9.10 4.61 0.00 2.96 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 D 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A 8.75 4.53 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 0.00 102 K 9.18 3.88 0.00 1.87 1.85 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.67 1.48 7.81 103 E 7.98 3.34 0.00 1.89 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 1.47 2.01 0.00 104 F 8.24 4.49 0.00 2.96 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 0.00 105 E 8.77 4.05 0.00 2.04 1.90 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 2.35 2.41 0.00 106 G 8.81 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 K 7.47 4.18 0.00 1.63 1.81 0.00 1.16 0.00 0.00 1.21 0.00 0.00 2.61 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.31 1.49 7.81 108 G 7.92 3.94 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 0.00 0.00 0.00 109 I 7.69 3.67 1.80 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 1.80 0.56 0.87 0.00 0.00 110 I 7.57 3.42 1.64 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.38 -0.03 0.00 0.00 111 T 7.79 3.69 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 1.21 0.00 0.00 112 A 8.16 3.97 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 0.00 113 A 8.54 3.94 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 0.00 114 C 8.53 4.08 0.00 3.08 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 0.00 115 R 8.17 4.05 0.00 2.10 2.12 0.00 3.22 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.89 0.00 116 K 8.12 3.99 0.00 1.79 1.88 0.00 1.70 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.51 1.61 7.81 117 L 8.73 4.03 0.00 1.82 1.86 0.91 0.58 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 126 E 7.75 4.29 0.00 2.09 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 2.20 2.25 0.00 127 L 7.80 4.41 0.00 1.73 1.77 0.86 0.73 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 0.00 128 N 8.86 4.64 0.00 2.82 2.80 0.00 0.00 6.92 8.41 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 0.00 129 R 8.01 5.24 0.00 1.91 1.73 0.00 3.20 0.00 0.00 3.29 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 130 V 8.89 4.96 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 0.94 0.00 0.00 0.48 0.00 0.00 131 A 9.54 5.68 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 0.00 132 I 9.64 5.14 1.70 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.76 0.87 0.00 0.00 133 C 8.47 5.34 0.00 2.36 1.90 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 0.00 134 A 8.47 4.54 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 0.00 135 A 8.62 4.23 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 0.00 136 V 8.70 3.45 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 0.63 0.00 0.00 0.92 0.00 0.00 137 G 7.54 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 0.00 0.00 0.00 138 N 7.58 4.68 0.00 2.39 2.40 0.00 0.00 7.25 8.94 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 0.00 139 E 8.39 3.88 0.00 2.00 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 2.38 2.39 0.00 140 K 7.95 3.86 0.00 1.71 2.20 0.00 1.90 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.66 7.81 141 S 7.65 4.40 0.00 3.15 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 R 8.18 3.95 0.00 1.98 1.93 0.00 3.38 0.00 0.00 3.43 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 143 A 7.74 3.86 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 0.00 144 V 7.23 3.41 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 0.78 0.00 0.00 0.75 0.00 0.00 145 P 0.00 3.62 0.00 1.25 1.23 0.00 3.42 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 1.38 1.79 0.00 146 E 7.41 4.01 0.00 1.92 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 2.39 2.09 0.00 147 R 7.92 3.97 0.00 2.10 2.04 0.00 3.15 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 148 I 7.71 4.19 2.24 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 1.60 0.63 1.32 0.00 0.00 149 G 7.93 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 F 8.71 4.62 0.00 3.03 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 L 8.95 5.00 0.00 1.66 1.63 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 152 E 9.08 3.69 0.00 1.78 1.79 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 2.14 1.92 0.00 153 E 10.78 4.53 0.00 2.03 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 2.28 2.31 0.00 154 G 7.13 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 0.00 0.00 0.00 0.00 155 K 7.98 5.16 0.00 1.64 1.73 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.33 1.40 7.81 156 A 9.18 4.59 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 0.00 157 R 8.71 4.20 0.00 1.73 1.91 0.00 3.37 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 158 D 8.98 4.53 0.00 2.85 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 0.00 159 G 8.26 3.78 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 0.00 0.00 0.00 160 L 7.93 4.76 0.00 1.83 1.50 0.87 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 161 Y 7.96 3.74 0.00 2.83 2.83 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 0.00 162 V 7.51 3.97 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 0.89 0.00 0.00 0.86 0.00 0.00 163 N 9.23 3.98 0.00 2.85 2.80 0.00 0.00 7.19 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 0.00 164 G 8.02 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 *166 H 7.74 4.76 0.00 3.22 3.44 0.00 5.10 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 H 8.25 5.02 0.00 2.99 3.11 0.00 5.61 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 0.00 168 D 8.56 5.09 0.00 2.59 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 0.00 169 L 8.75 5.10 0.00 1.60 1.28 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 170 V 8.53 4.72 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 0.89 0.00 0.00 0.72 0.00 0.00 171 Y 8.64 5.18 0.00 3.06 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 0.00 172 Y 9.56 5.40 0.00 2.99 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 0.00 173 S 9.53 5.54 0.00 3.90 4.04 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 0.00 0.00 0.00 174 L 8.92 4.74 0.00 0.27 0.14 0.91 0.38 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 0.00 175 L 8.77 4.84 0.00 1.61 1.48 0.91 0.76 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 0.00 176 K 8.81 2.48 0.00 1.18 1.46 0.00 1.62 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.14 0.64 7.81 177 R 7.76 4.01 0.00 1.92 2.01 0.00 3.05 0.00 0.00 3.18 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 178 E 8.13 4.43 0.00 2.15 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 2.36 2.24 0.00 179 W 7.96 4.39 0.00 3.05 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 * Residues marked with a * may have inaccurate shift predictions.