NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1 V 4.0358 8.0549 117.9017 60.5188 32.1169 173.7931 2 K 4.1676 8.0137 125.5496 51.7127 32.9322 175.4707 3 I 3.7571 8.1905 119.1633 63.0181 38.8169 175.3482 4 Y 4.5192 7.6817 119.7388 56.1395 37.9451 174.9850 5 T 4.1061 8.5397 115.3802 61.1758 70.1244 176.2156 6 K 4.0727 8.3355 119.2897 56.6531 30.0676 177.2719 7 N 4.3933 8.1140 116.7416 55.8964 38.7018 176.1155 8 G 4.3527 8.0223 105.2858 45.4059 0.0000 174.9848 9 D 4.3904 7.8758 119.9375 56.4983 40.8566 177.3085 10 K 4.2744 8.0410 116.3285 56.1813 32.6917 177.1543 11 G 4.0744 8.5733 108.7207 44.9212 0.0000 173.0165 12 Q 5.1037 7.6119 117.8731 54.6428 32.2569 174.2268 13 T 4.8372 8.6013 114.3718 61.1193 71.3542 172.8360 14 R 4.7880 8.5871 124.9794 55.8897 31.3778 176.5245 15 I 4.5707 7.7078 116.0190 59.1532 40.2183 174.8625 16 I 3.6626 7.4406 121.4660 62.8418 37.4678 177.2510 17 G 3.9861 8.4075 111.2141 45.8172 0.0000 172.4639 18 K 4.2401 8.3075 116.2142 57.9478 33.1397 177.4578 19 Q 4.3139 8.0077 118.8381 55.8426 29.6979 175.3166 20 I 4.9412 8.2746 116.2413 59.3872 40.1342 174.6130 21 L 4.9221 8.7566 122.8306 52.8927 46.5412 175.6615 22 Y 4.5568 8.5062 118.0642 58.1779 38.5480 177.9174 23 K 4.0319 8.9144 122.1353 59.0859 32.3120 177.9268 24 N 4.6525 8.1002 113.9622 52.5826 37.9126 175.2022 25 D 4.4371 8.0496 119.8320 54.3128 42.9526 175.0761 26 P 4.1795 0.0000 0.0000 66.1460 31.1014 178.7666 27 R 3.9004 8.3581 118.2338 59.4049 30.1037 178.7444 28 V 2.6834 7.6632 117.3196 65.5663 31.5087 177.6206 29 A 3.8721 8.2056 120.6622 54.8241 18.2594 179.4547 30 A 3.9062 7.9144 119.5336 55.6054 18.6419 179.4923 31 Y 4.3660 7.8899 115.5140 59.5027 38.2017 178.1602 32 G 3.5425 7.7323 108.2985 47.8939 0.0000 175.5976 33 E 4.0287 8.3909 121.1235 58.9519 29.3763 179.5152 34 V 3.6131 7.7282 118.0299 65.9829 31.4787 177.6432 35 D 4.1898 8.2322 117.8420 57.1779 41.0089 177.7683 36 E 3.9369 8.2503 119.8991 59.1698 29.5684 178.4764 37 L 4.0189 8.2937 120.7346 58.2283 42.1668 178.3601 38 N 4.3561 8.5112 117.2509 56.9632 38.7966 176.9767 39 S 4.1869 8.4167 116.6902 61.3518 62.8766 176.3918 40 W 4.1130 8.5625 131.2781 60.4655 30.3718 178.1270 41 V 3.6666 8.4575 118.7147 65.8685 31.1067 178.0529 42 G 3.7058 8.1317 105.4896 48.1441 0.0000 174.9240 43 Y 3.7849 7.6853 120.9505 60.4302 39.0253 177.7990 44 T 3.6366 7.9490 117.0258 66.5082 68.6255 176.4803 45 K 3.9893 8.3561 122.0637 59.2398 32.0163 178.5007 46 S 4.2409 7.5207 112.2189 59.8492 63.0711 175.2106 47 L 4.2037 7.1748 121.5025 53.9577 42.2502 176.7895 48 I 3.6995 6.9485 120.5712 61.7308 37.9169 174.8375 49 N 5.1823 8.6208 121.2944 50.8547 40.1144 174.8807 50 S 4.1727 8.6494 111.3967 61.8833 63.1336 175.2630 51 H 4.2820 8.3249 117.8435 57.8025 28.6990 176.1207 52 T 4.4564 7.7959 107.3916 60.9918 69.2462 175.2421 53 Q 3.9232 8.2530 125.4183 59.8796 28.8982 179.3273 54 V 3.7419 7.8309 109.2710 63.7931 31.6557 176.7397 55 L 4.5145 8.2001 119.0396 55.7692 42.3466 178.8493 56 S 4.2187 8.4164 114.2430 61.5513 62.3220 175.7609 57 N 4.4613 8.2246 118.9620 56.3038 38.4320 177.1696 58 E 4.4360 8.4116 118.4433 59.3628 29.8150 179.0580 59 L 4.2445 7.8743 119.0607 57.6172 41.5765 178.9132 60 E 4.0226 8.1717 119.6037 59.2329 29.6335 178.4159 61 E 3.9271 8.5059 119.4500 59.3517 29.5768 178.7709 62 I 3.9601 8.1966 119.8582 64.7013 37.0856 178.3172 63 Q 4.1412 8.2546 118.6196 59.1177 28.5521 179.0619 64 Q 4.1687 8.0736 118.7790 59.1477 28.7258 178.8923 65 L 4.0206 8.0789 119.9215 57.7151 41.5157 179.6111 66 L 4.0031 8.4725 119.3939 57.5161 41.4132 179.5217 67 F 4.0576 8.0847 118.1787 60.5132 38.4713 177.2638 68 D 4.4097 8.0377 118.0260 57.6958 40.6820 178.6298 69 C 3.8076 8.0188 117.3773 62.7786 28.1048 176.6131 70 G 3.5757 8.2886 107.3553 47.6551 0.0000 174.9126 71 H 3.9742 8.1948 120.0920 59.6449 30.1047 176.6604 72 D 4.7075 7.8368 118.9572 57.3858 40.4086 178.7836 73 L 4.0623 7.7276 118.4917 57.5892 41.8269 178.2907 74 A 3.9898 8.0594 120.3553 53.4130 18.5954 176.5632 75 T 4.6151 7.4580 113.4499 60.7810 69.6861 173.1151 76 P 4.4591 0.0000 0.0000 62.2614 32.0697 177.6388 77 A 3.8069 8.6894 124.6527 54.7199 18.5488 178.0473 78 D 4.6707 7.8722 113.4931 53.1412 39.7725 175.6507 79 D 4.4775 7.8961 123.2148 54.5422 41.0081 177.6026 *80 E 4.1285 8.8166 123.8603 58.5111 29.9291 174.5121 81 R 4.3568 7.7976 114.7673 56.9327 30.8976 176.1992 82 H 4.9414 7.7963 113.0110 53.8962 32.1844 172.7993 83 S 4.6741 8.3646 117.9863 56.1573 66.0388 173.7564 84 F 4.9874 8.4356 123.3447 58.4391 39.0902 176.5490 85 K 4.4663 9.3613 126.0649 54.3806 33.3073 173.2211 86 F 4.5476 8.6489 120.2081 57.6941 39.8303 174.6988 87 K 4.5128 7.6025 127.4961 54.3447 34.1064 176.9003 88 Q 3.7893 9.2957 123.4970 58.9099 28.6628 177.9329 89 E 3.9262 8.1342 120.3726 59.8226 29.5032 179.3156 90 Q 4.0009 7.7846 116.4593 58.9739 29.0861 176.3292 91 P 4.4073 0.0000 0.0000 65.5340 31.2553 178.7640 92 T 4.1763 8.4530 114.9248 66.6044 68.3817 177.0975 93 V 3.7646 7.9653 120.2992 65.6758 31.4059 177.7275 94 W 4.2367 8.4730 128.1431 60.5451 30.4615 177.9129 95 L 3.5293 8.1037 118.6639 57.7487 41.0424 179.2576 96 E 3.9668 8.5339 121.1842 60.1397 29.3139 179.9559 97 E 3.9097 8.4253 118.5797 60.9770 29.6973 181.3021 98 K 3.3720 7.3335 119.5231 58.9337 31.9424 179.4237 99 I 3.5196 7.7480 120.4417 64.4434 37.0210 178.0214 100 D 4.2434 8.1934 119.8192 57.3658 40.7155 178.2826 101 N 4.1215 7.9624 117.3690 57.1683 38.8050 176.5212 102 Y 3.9653 7.8540 118.2863 61.1276 37.6111 178.6357 103 T 3.9015 8.1306 118.8590 67.2603 68.6398 176.9393 104 Q 4.1214 7.8448 121.3505 60.3738 28.2028 180.4801 105 V 3.7827 7.5420 119.1873 64.5216 31.7529 176.8858 106 V 4.0622 6.5112 110.8024 59.3980 32.5506 174.1743 107 P 4.3426 0.0000 0.0000 62.4235 31.7740 176.5383 108 A 4.2089 8.4645 125.5539 52.0334 19.0723 177.1438 109 V 4.4746 8.0789 117.3051 60.0303 34.5937 176.5146 110 K 4.1946 8.5814 126.6715 56.9165 31.7952 173.6955 111 K 4.7330 7.6930 117.2964 54.1592 34.3504 176.1075 112 F 4.7504 8.6229 121.1104 58.4251 39.9482 174.6422 113 I 5.0389 8.7793 115.3457 59.0080 39.8508 175.3391 114 L 4.1134 8.8480 125.3912 54.5788 42.0769 175.7658 115 P 4.0192 0.0000 0.0000 62.9746 30.5625 175.6143 116 G 4.0586 8.1997 112.5642 45.5119 0.0000 169.7335 117 G 4.1177 8.6621 107.8034 44.5187 0.0000 177.2791 118 T 4.1178 9.3932 119.0019 61.0439 70.4597 174.5747 119 Q 3.9820 8.4506 121.4256 59.0713 28.9570 177.8491 120 L 3.8996 7.8320 120.7723 57.9500 42.3245 178.3007 121 A 3.9704 8.0366 120.7890 55.5500 18.1534 179.8204 122 S 4.1671 8.3110 113.1897 61.7653 62.8363 176.7933 123 A 4.5265 8.3523 123.5022 55.4235 18.0528 179.7118 124 L 3.9890 8.4504 117.8444 58.2468 41.7783 179.4871 125 H 4.3013 8.3604 116.3629 58.6217 28.5478 177.9939 126 V 3.3485 8.1303 120.0597 65.7648 31.2206 177.7811 127 A 3.7832 8.2568 120.7834 55.1298 18.1716 179.2321 128 R 4.0764 8.1369 117.7400 60.1630 30.0586 178.5577 129 T 4.0905 7.6496 108.4053 64.2435 69.0309 177.0487 130 I 3.6167 7.9548 123.2217 64.4224 37.0951 178.3145 131 T 3.9605 8.2640 116.9819 66.9118 68.3176 176.8793 132 R 4.0221 8.0106 119.6424 58.9494 29.9750 178.9609 133 R 3.7901 8.1777 118.4531 59.4194 30.0194 178.2016 134 A 3.9658 8.2471 120.7860 55.3480 18.3464 178.9183 135 E 3.8762 8.7298 117.9329 59.8434 29.5607 179.4077 136 R 3.9236 7.9138 117.8310 59.2502 30.0623 178.8794 137 Q 3.9880 7.9631 119.1365 59.1376 29.0099 178.0958 138 I 3.7067 8.1033 121.2932 64.3416 37.0940 178.6233 139 V 3.5507 7.9400 119.0488 65.9209 31.1949 177.4724 140 Q 3.9186 8.1433 118.5557 59.3571 28.9991 178.2871 141 L 4.0769 8.0327 120.8341 58.6434 41.9725 178.3818 142 M 4.2292 8.0868 118.3149 58.1470 32.1134 177.8560 143 R 4.1881 7.9406 115.8587 57.5799 30.4102 176.8244 144 E 4.6356 8.3697 117.3620 56.5125 31.6401 175.9973 145 E 4.7658 7.6842 116.0048 54.1602 33.6548 174.4847 146 Q 4.4315 8.7855 121.0809 56.0313 28.9925 175.9630 147 I 4.4550 8.0556 115.8937 58.4078 40.5403 174.8436 148 N 4.1595 7.6686 118.9386 53.0026 38.0710 175.5027 149 Q 4.1487 8.5447 126.1439 58.4334 28.8194 178.0360 150 D 4.5039 8.1658 120.1972 57.4443 40.7442 178.9194 151 V 3.5339 7.9412 118.7232 65.7823 31.5191 177.8410 152 L 3.9677 7.9102 119.5733 58.1928 42.0403 178.6604 153 I 3.7325 7.8184 119.7517 64.5095 37.1285 178.2377 154 F 4.2823 8.4864 121.2182 61.5353 39.1043 177.2904 155 I 3.6715 7.9882 118.3941 64.1028 36.6031 177.5384 156 N 4.4782 8.6591 118.4129 57.0069 38.8548 176.8610 157 R 3.8996 8.0751 119.7876 59.2937 29.9855 178.1873 158 L 3.6948 7.6645 120.5372 57.8933 42.0313 179.0699 159 S 4.4436 7.9086 113.2558 61.2658 62.9877 176.2565 160 D 4.4209 8.1010 122.5067 57.2143 40.6368 177.6002 161 Y 3.8713 7.9042 120.0715 60.8396 38.7479 178.3546 162 F 4.3339 8.2221 118.6571 60.3634 38.9965 177.3211 163 F 4.0174 8.3664 120.0160 61.3008 39.2479 176.8333 164 A 3.8628 8.2622 120.0728 55.3393 18.1406 179.5132 165 A 3.8058 8.1524 119.1899 55.0006 18.4088 179.7973 166 A 3.8313 7.9595 119.4095 55.3536 18.4142 180.0048 167 R 3.7520 7.4727 116.5361 59.5565 30.0626 178.7067 168 Y 4.0873 7.8682 119.0668 60.4464 38.1643 177.7707 169 A 3.7805 8.2719 122.1968 55.1297 18.4413 179.2560 170 N 4.2178 7.9679 114.7184 56.6305 38.6035 176.7874 171 Y 4.0100 8.0786 120.7842 60.9279 38.6502 178.3720 172 L 3.8104 8.0994 118.5359 56.7717 41.6091 178.3807 173 E 4.3899 7.3523 115.2243 54.6300 30.3720 175.6519 174 Q 3.1691 7.6784 116.7360 56.7484 26.9551 174.0093 175 Q 4.3466 8.1889 118.9346 53.6815 29.8069 173.3041 176 P 4.4347 0.0000 0.0000 62.6265 32.0879 176.0192 177 D 4.5585 8.6403 122.9894 55.2629 41.8045 176.0056 178 M 4.8032 8.3616 121.2971 53.5486 34.2269 175.7019 179 L 4.9517 8.4496 122.3350 53.3028 43.6840 176.0135 180 Y 4.4866 9.0994 124.7574 57.7140 38.9759 177.0647 181 R 3.8839 9.0555 124.3026 58.7917 29.7158 177.0597 182 N 4.4987 6.5812 113.3849 52.4693 38.7389 174.7172 183 S 4.1496 7.0594 116.2898 58.6288 62.8992 174.9652 184 K 4.2030 8.2408 128.2422 53.6694 32.3694 175.6456 185 D 4.4905 8.2964 117.4905 55.7997 39.2797 176.5208 186 V 3.8227 7.6073 117.3259 61.3945 33.0184 176.6088 187 F 4.5954 7.6410 122.7314 57.5639 38.8405 175.4571 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 *1 V 8.05 4.04 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 0.94 0.00 0.00 0.93 0.00 0.00 2 K 8.01 4.17 0.00 1.47 1.15 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.87 1.28 7.81 3 I 8.19 3.76 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.69 0.94 0.00 0.00 4 Y 7.68 4.52 0.00 3.10 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 5 T 8.54 4.11 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 1.20 0.00 0.00 6 K 8.34 4.07 0.00 2.07 2.18 0.00 1.74 0.00 0.00 1.88 0.00 0.00 3.05 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.54 1.60 7.81 7 N 8.11 4.39 0.00 2.75 2.89 0.00 0.00 6.87 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 8 G 8.02 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 0.00 0.00 0.00 0.00 9 D 7.88 4.39 0.00 2.83 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 10 K 8.04 4.27 0.00 1.99 1.84 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 0.99 7.81 11 G 8.57 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 7.61 5.10 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.68 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 13 T 8.60 4.84 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 1.30 0.00 0.00 14 R 8.59 4.79 0.00 1.76 1.85 0.00 3.40 0.00 0.00 3.28 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 15 I 7.71 4.57 2.12 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 1.51 0.63 1.11 0.00 0.00 16 I 7.44 3.66 1.88 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.36 0.61 0.00 0.00 17 G 8.41 3.99 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 0.00 0.00 0.00 18 K 8.31 4.24 0.00 1.76 1.88 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.40 7.81 19 Q 8.01 4.31 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.85 0.00 0.00 0.00 0.00 0.00 2.46 2.37 0.00 20 I 8.27 4.94 1.89 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 1.30 0.53 0.89 0.00 0.00 21 L 8.76 4.92 0.00 1.58 1.59 0.99 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 8.51 4.56 0.00 2.94 3.01 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 23 K 8.91 4.03 0.00 1.81 1.89 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.05 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.49 1.52 7.81 24 N 8.10 4.65 0.00 2.80 2.90 0.00 0.00 5.96 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 25 D 8.05 4.44 0.00 2.94 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 26 P 0.00 4.18 0.00 2.31 2.31 0.00 3.77 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.27 0.00 27 R 8.36 3.90 0.00 1.99 2.11 0.00 3.25 0.00 0.00 3.32 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.89 0.00 28 V 7.66 2.68 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 0.79 0.00 0.00 0.93 0.00 0.00 29 A 8.21 3.87 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 0.00 0.00 0.00 0.00 0.00 30 A 7.91 3.91 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 31 Y 7.89 4.37 0.00 3.22 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 32 G 7.73 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 0.00 0.00 0.00 33 E 8.39 4.03 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.43 0.00 34 V 7.73 3.61 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 1.09 0.00 0.00 1.02 0.00 0.00 35 D 8.23 4.19 0.00 2.97 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 36 E 8.25 3.94 0.00 2.10 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 2.34 2.35 0.00 37 L 8.29 4.02 0.00 1.84 1.89 1.06 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 38 N 8.51 4.36 0.00 2.90 2.85 0.00 0.00 7.27 7.74 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 39 S 8.42 4.19 0.00 4.11 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 40 W 8.56 4.11 0.00 3.47 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 41 V 8.46 3.67 2.38 0.00 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 50 S 8.65 4.17 0.00 3.95 4.03 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 0.00 0.00 0.00 51 H 8.32 4.28 0.00 3.28 3.47 0.00 5.79 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 52 T 7.80 4.46 4.18 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 1.12 0.00 0.00 53 Q 8.25 3.92 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.91 0.00 0.00 0.00 0.00 0.00 2.45 2.50 0.00 54 V 7.83 3.74 2.24 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 0.84 0.00 0.00 1.01 0.00 0.00 55 L 8.20 4.51 0.00 1.90 1.82 0.88 1.12 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 56 S 8.42 4.22 0.00 3.92 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 57 N 8.22 4.46 0.00 2.89 2.94 0.00 0.00 6.81 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 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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 0.00 0.00 0.00 0.00 0.00 0.00 117 G 8.66 4.12 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 0.00 0.00 0.00 118 T 9.39 4.12 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 1.22 0.00 0.00 119 Q 8.45 3.98 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.96 0.00 0.00 0.00 0.00 0.00 2.47 2.47 0.00 120 L 7.83 3.90 0.00 1.75 1.60 0.89 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.04 3.97 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 0.00 122 S 8.31 4.17 0.00 4.11 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 0.00 123 A 8.35 4.53 1.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.45 3.99 0.00 1.88 1.80 1.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 125 H 8.36 4.30 0.00 3.40 3.34 0.00 5.62 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.13 3.35 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 -0.41 0.00 0.00 0.91 0.00 0.00 127 A 8.26 3.78 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 R 8.14 4.08 0.00 2.16 2.24 0.00 3.37 0.00 0.00 3.60 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 2.08 0.00 129 T 7.65 4.09 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 1.22 0.00 0.00 130 I 7.95 3.62 1.74 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 1.30 0.51 0.88 0.00 0.00 131 T 8.26 3.96 4.59 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 1.39 0.00 0.00 132 R 8.01 4.02 0.00 2.02 1.98 0.00 3.20 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.80 0.00 133 R 8.18 3.79 0.00 1.83 2.06 0.00 3.16 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.62 0.00 134 A 8.25 3.97 1.40 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 0.00 0.00 0.00 135 E 8.73 3.88 0.00 2.13 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 0.00 2.33 2.40 0.00 136 R 7.91 3.92 0.00 2.03 1.95 0.00 3.16 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.91 0.00 137 Q 7.96 3.99 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.78 0.00 0.00 0.00 0.00 0.00 2.40 2.47 0.00 138 I 8.10 3.71 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.59 0.93 0.00 0.00 139 V 7.94 3.55 2.24 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 1.00 0.00 0.00 0.97 0.00 0.00 140 Q 8.14 3.92 0.00 2.04 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.71 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 141 L 8.03 4.08 0.00 1.82 1.88 0.99 0.79 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 0.00 142 M 8.09 4.23 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.49 0.00 143 R 7.94 4.19 0.00 2.02 1.98 0.00 3.17 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 1.67 1.79 0.00 144 E 8.37 4.64 0.00 2.03 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 2.24 2.24 0.00 145 E 7.68 4.77 0.00 1.98 1.82 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 2.33 2.30 0.00 146 Q 8.79 4.43 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.40 0.00 147 I 8.06 4.46 1.83 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.63 1.01 0.00 0.00 148 N 7.67 4.16 0.00 1.44 2.14 0.00 0.00 6.88 6.89 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 0.00 149 Q 8.54 4.15 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.64 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 150 D 8.17 4.50 0.00 3.12 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 0.00 151 V 7.94 3.53 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.81 0.00 0.00 152 L 7.91 3.97 0.00 1.82 1.89 1.00 1.18 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 0.00 153 I 7.82 3.73 2.16 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 1.46 0.83 1.01 0.00 0.00 154 F 8.49 4.28 0.00 3.53 3.32 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 0.00 155 I 7.99 3.67 1.99 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.98 0.96 0.00 0.00 156 N 8.66 4.48 0.00 3.00 3.01 0.00 0.00 6.82 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 0.00 157 R 8.08 3.90 0.00 2.07 1.78 0.00 3.19 0.00 0.00 3.09 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 158 L 7.66 3.69 0.00 1.31 1.66 0.42 0.83 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 0.00 159 S 7.91 4.44 0.00 4.34 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 0.00 160 D 8.10 4.42 0.00 2.90 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 0.00 161 Y 7.90 3.87 0.00 2.92 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 0.00 162 F 8.22 4.33 0.00 3.22 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 0.00 163 F 8.37 4.02 0.00 3.24 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 A 8.26 3.86 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 0.00 165 A 8.15 3.81 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 0.00 166 A 7.96 3.83 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 0.00 167 R 7.47 3.75 0.00 1.82 1.87 0.00 2.78 0.00 0.00 2.87 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.97 0.00 168 Y 7.87 4.09 0.00 2.62 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 0.00 169 A 8.27 3.78 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 0.00 0.00 0.00 0.00 0.00 170 N 7.97 4.22 0.00 2.93 3.11 0.00 0.00 6.68 7.37 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 0.00 171 Y 8.08 4.01 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 0.00 172 L 8.10 3.81 0.00 1.53 1.70 0.32 0.66 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 0.00 173 E 7.35 4.39 0.00 1.82 1.76 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 2.06 2.19 0.00 174 Q 7.68 3.17 0.00 2.05 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.73 0.00 0.00 0.00 0.00 0.00 2.04 2.06 0.00 175 Q 8.19 4.35 0.00 1.90 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.48 2.32 0.00 176 P 0.00 4.43 0.00 2.23 2.05 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 177 D 8.64 4.56 0.00 2.74 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 0.00 178 M 8.36 4.80 0.00 1.68 1.90 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 2.51 2.11 0.00 179 L 8.45 4.95 0.00 1.59 1.71 0.97 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 180 Y 9.10 4.49 0.00 3.06 3.15 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 0.00 181 R 9.06 3.88 0.00 1.92 2.07 0.00 3.07 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 182 N 6.58 4.50 0.00 2.19 2.65 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 0.00 183 S 7.06 4.15 0.00 4.08 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 0.00 184 K 8.24 4.20 0.00 1.82 1.59 0.00 1.86 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.36 1.03 7.81 185 D 8.30 4.49 0.00 2.60 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 0.00 186 V 7.61 3.82 1.17 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 0.27 0.00 0.00 -0.81 0.00 0.00 187 F 7.64 4.60 0.00 3.14 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 * Residues marked with a * may have inaccurate shift predictions.