NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6369 8.1633 120.6196 55.6418 33.8376 173.3984 2 R 4.6884 8.6846 126.5267 54.4669 32.0451 174.0596 3 I 4.8470 8.9876 125.9767 59.4017 40.3806 174.7081 4 G 3.5022 8.7546 113.7477 43.9950 0.0000 171.6269 5 I 4.8601 8.0581 125.4165 59.1332 39.8303 175.0998 6 I 3.9601 8.5568 129.5033 61.5556 37.1823 176.2419 7 S 4.6456 8.4774 121.2234 58.2205 63.0455 175.4288 8 V 3.7914 7.6517 113.6013 62.0448 31.8738 175.8629 9 G 3.7659 8.1418 105.3797 43.6259 0.0000 170.5747 10 P 4.4834 0.0000 0.0000 61.2131 32.8906 174.8191 11 G 4.1056 8.5280 104.3592 44.3585 0.0000 172.8519 12 N 4.4600 8.4986 118.0742 53.3241 39.1212 175.0958 13 I 4.2867 8.2043 119.2308 61.9000 38.6511 177.2790 14 M 4.2235 7.9137 120.4438 58.1234 31.8814 177.9260 15 N 4.3431 8.5817 117.0647 55.9382 38.5168 177.1653 16 L 3.8352 7.7989 121.5235 58.0546 42.3102 177.8614 17 Y 3.9775 7.8629 119.4341 60.9783 38.6006 178.5657 18 R 4.0074 8.4905 119.0876 59.2080 30.1799 179.3244 19 G 3.5202 8.0427 105.5765 47.6749 0.0000 176.0258 20 V 3.4594 7.9003 120.9856 65.5532 31.3409 177.9797 21 K 3.7947 7.7290 119.9375 58.6846 31.6888 178.3495 22 R 3.9856 8.1086 118.8457 59.5469 29.8571 178.5081 23 A 4.1624 7.8298 119.2263 54.6314 18.5098 178.8305 24 S 4.6484 8.3163 113.5898 59.6120 63.1934 176.5249 25 E 4.0791 7.6739 118.8095 59.6195 29.3955 183.5609 26 N 4.4295 8.1041 113.7070 54.0921 38.7878 174.9729 27 F 4.5479 7.6989 118.1536 55.5740 39.3745 175.8252 28 E 4.1318 8.6430 125.3700 57.0642 30.3321 176.0540 29 D 4.4041 8.6120 117.0315 56.0592 37.9061 174.5542 30 V 4.6211 7.6454 116.8369 61.1432 34.7508 174.8662 31 S 4.7409 8.7699 122.4433 56.7509 64.3767 172.6134 32 I 4.8382 8.6875 131.0187 60.5617 38.4614 175.3835 *33 E 4.7806 8.6818 125.0689 54.5026 33.5819 173.4373 34 L 5.0496 8.3400 122.7141 53.6331 44.0737 176.0926 35 V 4.3571 8.3786 121.5419 63.3401 34.3171 175.4592 36 E 4.4159 9.1011 123.1137 56.9415 31.9111 172.6783 37 S 4.6245 7.6367 110.9161 55.8008 65.9684 171.3209 38 P 2.9700 0.0000 0.0000 62.0629 32.1458 174.7849 *39 R 4.3729 7.2188 117.9820 56.7940 32.3614 173.4977 *42 L 4.0209 8.3870 117.1666 55.3987 43.5480 175.3535 43 Y 4.9196 8.3736 123.2363 56.7080 40.3891 175.4835 44 D 4.6250 9.0575 122.7134 56.4244 42.5408 176.0096 45 L 4.8101 7.8905 120.4856 53.1633 45.2045 174.7858 46 L 4.8803 8.9959 129.5432 53.3247 44.4290 174.7990 47 F 5.1947 9.3909 125.4147 56.0731 41.5157 174.9353 48 I 4.7677 9.1042 125.6313 59.2789 38.4024 173.4741 49 P 4.8255 0.0000 0.0000 61.5528 34.1709 174.0062 50 G 3.9836 7.6362 105.3799 44.2057 0.0000 172.8289 51 V 4.3491 8.6621 123.4118 61.9526 34.2641 175.6007 52 G 4.1339 7.9697 118.1199 46.8056 0.0000 170.4946 53 H 5.2528 8.0914 122.5800 53.7270 30.8739 175.7142 54 F 3.8708 8.9891 129.3042 61.5100 39.3726 177.2888 55 G 3.6854 8.1361 108.8734 48.6349 0.0000 173.1604 56 E 4.1903 7.6263 120.1467 56.9028 30.5219 176.5665 57 G 4.3456 8.9738 113.1710 46.7024 0.0000 176.0192 58 M 3.9478 7.1873 119.5155 57.5858 31.7763 179.0192 59 R 3.9833 7.9494 119.1188 59.5447 30.1572 178.8380 60 R 4.2870 8.0258 118.2913 59.5060 30.3688 179.1115 *61 L 4.2861 8.2246 124.8988 59.6174 40.8272 184.3594 *62 R 4.2389 7.6738 121.5732 62.2361 29.2733 182.6544 *63 E 4.4322 8.4059 111.9130 57.1178 29.4627 179.2048 64 N 4.9256 7.7348 115.5721 53.7241 41.0388 174.8180 *65 D 4.4283 8.1912 115.9074 54.5321 37.6233 178.2505 66 L 4.8648 8.0712 122.6978 56.2670 43.7290 179.1702 *67 I 3.7868 8.0416 122.5815 66.1592 35.1299 183.1177 *68 D 4.6304 8.0942 122.0908 57.9940 39.9855 180.1675 69 F 4.5185 8.2259 121.1377 61.3033 39.3715 177.2946 70 V 3.7212 8.5091 120.7882 66.4195 31.4531 178.7946 71 R 4.0036 8.1046 122.9049 62.1292 29.0416 181.4822 *72 K 4.3104 8.4273 124.4288 59.5993 31.6197 181.3615 73 H 4.1553 7.4914 115.0154 58.9948 28.7578 177.7069 74 V 3.5165 7.7877 122.3835 66.9723 31.1046 178.4797 *75 E 4.0702 7.9365 116.1806 60.4998 29.4267 179.2166 76 D 5.0067 7.5619 118.4754 54.3256 42.0446 176.3741 77 E 3.7454 7.6715 110.3155 56.2149 27.8025 177.8563 78 R 4.4532 7.5511 117.2559 56.7647 31.5903 175.9114 79 Y 4.3203 8.4716 119.0964 57.6124 39.5583 174.8802 80 V 4.5960 8.5597 123.8349 61.0957 34.7456 174.3044 81 V 4.7250 8.8848 129.1705 61.0184 34.0249 174.4340 82 G 4.2357 9.3823 116.9005 45.3571 0.0000 172.0784 83 V 4.8235 8.6847 125.2575 60.9383 33.9048 174.8787 84 C 3.7078 9.3226 128.6921 61.2898 27.7063 176.0369 85 L 4.1261 8.7695 132.7341 60.7372 39.7160 178.6100 86 G 3.9641 8.1455 104.8262 48.1110 0.0000 174.9446 87 M 4.1881 8.2537 120.3922 58.7122 32.3782 178.4172 88 Q 4.3941 8.1303 117.6650 58.9832 28.8687 178.4870 89 L 4.0274 8.0955 119.7894 57.0980 41.5687 179.0967 90 L 3.8270 7.9076 118.7942 56.6394 41.9444 176.9889 91 F 5.4460 7.7855 116.8485 55.3066 41.2665 175.8858 92 E 4.3002 9.3418 119.9913 58.9311 30.3645 177.0229 93 E 4.9262 7.6649 114.2130 55.6181 32.4864 174.4530 94 S 4.6283 7.5653 114.3747 56.4823 65.5088 173.3826 95 E 4.0884 8.0318 121.2676 58.5583 30.0873 178.7303 96 E 3.4010 7.5502 119.0447 57.5546 29.5747 175.7153 97 A 4.7604 7.3352 120.5538 49.0278 19.5663 174.3506 98 P 4.2060 0.0000 0.0000 65.4195 31.6194 178.7134 99 G 4.1473 7.9274 104.0271 45.0417 0.0000 172.0089 100 V 4.3453 7.5554 121.9594 60.9021 33.2771 176.1795 *101 K 4.2661 8.6639 128.7526 54.3272 32.7264 174.6865 102 G 4.4309 8.7651 112.9857 44.4177 0.0000 173.4640 103 L 4.0773 8.6670 118.5268 55.7437 41.6920 177.8097 104 S 4.1504 8.0706 113.7840 59.3947 61.0534 174.7362 105 L 4.0246 7.3800 121.9467 56.7096 41.7649 177.9022 106 I 4.3225 7.3811 119.0877 58.6490 39.6110 174.6891 107 E 4.2730 8.6946 123.1559 54.9055 30.3145 177.2365 108 G 4.1865 7.8296 110.2730 44.8304 0.0000 169.6235 109 N 5.4098 7.9516 116.7319 51.5857 40.9940 173.2201 110 V 4.7928 8.3943 117.8302 61.3357 34.9092 174.5346 111 V 4.6309 8.8725 127.4517 61.6645 35.2779 174.5833 112 K 3.9871 8.6493 130.5259 55.2268 32.4748 175.9655 113 L 3.9967 8.2150 125.6012 54.8549 42.0922 179.1296 *114 R 4.2214 9.0309 119.6245 57.2811 29.3393 176.6554 115 S 4.4613 7.5331 114.5336 58.9269 63.2973 175.0811 *116 R 3.9876 8.4819 126.2691 58.9721 29.5654 177.9236 *117 R 4.4728 7.5971 115.4510 55.2046 29.1518 179.4135 118 L 4.9076 8.0011 122.5762 51.4553 45.7438 174.8328 119 P 4.5190 0.0000 0.0000 62.0264 32.9343 175.5359 120 H 3.6362 8.5596 121.7074 56.5560 30.5585 174.0278 121 M 4.9592 8.5745 125.7716 54.3768 35.1560 174.1003 122 G 3.7902 8.0448 113.2358 43.8173 0.0000 171.1287 123 W 5.2520 8.7882 121.0612 56.2580 29.8232 175.7645 124 N 5.3957 9.7051 123.2098 51.4836 42.7443 172.7302 125 E 4.0788 8.3442 124.5048 55.8125 31.3476 175.1517 126 V 4.4422 8.8164 126.9830 60.3497 34.1678 174.1251 127 I 4.6269 8.4539 128.9157 59.6481 39.2880 174.6859 128 F 5.0970 9.6344 126.9563 56.2945 39.6507 176.6939 129 K 4.3412 9.6033 123.0468 59.6002 32.4434 176.6219 130 D 4.3678 8.4222 115.8947 54.3871 41.3419 175.2254 131 T 3.4824 8.7432 120.1311 63.9556 66.4859 172.7651 132 F 4.4256 7.1625 117.4327 55.2228 40.2958 174.0096 133 P 4.5220 0.0000 0.0000 62.2046 31.2897 176.5778 134 N 4.9064 9.1234 121.7177 52.7037 39.2764 175.5406 135 G 4.0676 7.6191 108.4505 45.2357 0.0000 170.2202 136 Y 4.9989 8.1152 117.6687 57.5161 38.8229 175.2028 137 Y 4.8332 9.2522 120.9283 55.8662 42.4053 174.5934 138 A 4.2949 8.2331 123.4911 51.2354 19.8373 176.5966 139 F 5.0065 9.3417 122.0070 56.5264 42.0834 176.1136 140 V 5.1299 8.4509 121.7305 62.5828 32.6198 172.2195 141 H 4.9212 9.3175 121.1933 54.8054 32.0902 174.2358 142 T 4.1231 8.7165 115.2180 64.4265 70.6110 174.0644 143 Y 5.1165 7.9122 117.9725 56.2368 40.7000 175.1924 144 R 4.7318 9.1333 118.1847 54.2362 33.2266 174.3831 145 A 4.4772 8.5308 121.3335 51.2044 20.3675 176.9990 146 V 4.3629 8.4785 120.6444 61.2869 34.2348 174.4383 147 C 4.9856 8.3105 121.4454 57.1841 32.9365 173.2168 148 E 4.2625 8.8284 117.8266 55.9176 30.0263 178.0780 149 E 3.9744 9.0490 123.9671 60.1833 29.8787 179.8964 *150 E 3.9642 8.3385 113.8119 58.9296 29.7435 181.3161 151 H 5.3309 8.3698 113.8626 54.5413 29.3052 174.5912 152 V 4.1665 7.4893 120.6464 62.5777 32.3276 174.4598 153 L 4.7212 9.1843 128.4374 56.1205 44.4127 176.1196 154 G 4.2079 7.9023 104.2333 44.4627 0.0000 171.4569 155 T 5.0072 8.3734 117.6455 61.8918 72.2793 173.3253 156 T 4.9649 8.3158 120.0101 61.4379 73.4437 172.4071 157 E 5.0997 8.6377 123.2471 54.7427 31.9707 174.6287 158 Y 4.6696 8.8110 124.9974 56.4104 41.0617 174.6274 159 D 4.1208 9.3854 128.4340 55.3736 39.1906 174.3217 160 G 3.8292 8.2377 105.0575 45.4030 0.0000 172.7783 161 E 4.5790 7.7899 121.7634 54.4981 31.4073 174.5345 162 I 4.9256 8.4215 128.4230 60.2219 38.6392 175.0817 163 F 4.9915 8.6760 120.8328 54.4893 42.1419 172.2018 164 P 4.7225 0.0000 0.0000 62.8552 30.5070 176.6435 165 S 4.7206 8.5768 120.0856 59.7135 64.4635 173.8360 166 A 5.1504 7.6919 121.7140 50.7308 22.6993 175.0714 167 V 4.9068 8.7304 119.6573 61.7561 36.0011 174.3452 168 R 4.7720 9.2011 127.5315 56.5031 33.9348 174.5846 *169 K 4.6918 8.6830 129.2681 52.8289 33.8727 175.0441 170 G 3.8850 8.7445 122.3531 47.0187 0.0000 173.1192 171 R 4.0123 8.6984 122.3413 55.4282 30.2486 176.1684 172 I 4.7175 7.3107 120.1296 61.2870 38.6395 174.9942 173 L 5.0225 9.2489 126.5588 52.7935 45.8781 175.8222 174 G 4.1457 8.5463 108.6508 44.4483 0.0000 171.3415 175 F 5.0258 8.8753 123.3128 55.5791 41.7229 175.7891 176 Q 4.1089 8.8937 125.5523 57.3796 29.6542 175.3821 177 F 4.2558 6.2236 113.0192 55.6622 40.3144 174.7864 178 H 4.6517 8.6892 118.3985 53.5280 28.3925 173.8590 179 P 4.5033 0.0000 0.0000 65.2820 31.4370 178.5391 180 E 4.1836 8.1616 113.5047 57.6478 29.7159 176.7862 181 A 4.7555 7.9731 121.7456 52.1839 19.8817 176.3089 182 S 4.6947 7.9811 113.8183 59.3904 64.2111 175.4338 183 S 3.6695 8.3591 115.1718 58.9117 61.8234 173.3627 184 K 3.9167 8.7613 113.3845 59.8645 31.7948 178.5882 185 I 3.8898 7.7584 118.1514 63.5851 37.8679 178.0781 186 G 3.6992 8.0051 106.6413 47.6201 0.0000 175.6851 187 R 3.9194 7.8146 121.3446 59.1697 30.1433 178.5629 188 K 4.0431 8.2332 119.3929 59.2498 32.1534 178.5792 189 L 4.0836 8.1825 120.8117 58.2630 42.1137 179.0175 190 L 4.0422 8.3642 119.3693 57.6735 41.5172 179.1724 191 E 4.0482 8.6629 119.0700 59.5969 29.3596 179.4961 192 K 4.2539 8.2595 119.3647 59.3550 31.9541 179.0455 193 V 3.7722 7.7172 118.1199 65.9232 31.8676 177.8577 194 I 3.6314 7.7323 119.4957 64.4319 36.7515 178.3148 195 E 4.0205 8.2362 117.9635 59.2277 29.2498 178.7702 196 C 4.2631 7.2585 116.5201 61.6539 28.4649 174.5463 197 S 4.2297 7.1837 114.2083 57.7123 62.6204 174.1802 198 L 4.1484 7.5456 126.3188 56.3900 42.4385 175.8250 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 M 8.16 4.64 0.00 2.32 2.05 0.00 0.00 0.00 0.00 0.00 -0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.57 0.00 2 R 8.68 4.69 0.00 1.92 2.20 0.00 3.16 0.00 0.00 3.18 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 3 I 8.99 4.85 2.00 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 1.16 1.25 1.04 0.00 0.00 4 G 8.75 3.50 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 5 I 8.06 4.86 1.93 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 1.31 1.42 0.92 0.00 0.00 6 I 8.56 3.96 2.01 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 1.38 0.54 0.93 0.00 0.00 7 S 8.48 4.65 0.00 3.98 3.93 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 8 V 7.65 3.79 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.92 0.00 0.00 9 G 8.14 3.77 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 0.00 0.00 0.00 10 P 0.00 4.48 0.00 2.24 2.22 0.00 3.65 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.97 0.00 11 G 8.53 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.50 4.46 0.00 2.69 2.75 0.00 0.00 6.89 7.94 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 13 I 8.20 4.29 1.87 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 1.63 0.39 0.91 0.00 0.00 14 M 7.91 4.22 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 15 N 8.58 4.34 0.00 2.95 2.87 0.00 0.00 6.49 6.03 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 16 L 7.80 3.84 0.00 1.67 1.67 0.62 0.46 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 17 Y 7.86 3.98 0.00 3.12 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 R 8.49 4.01 0.00 2.07 1.99 0.00 3.23 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.06 0.00 19 G 8.04 3.52 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 0.00 20 V 7.90 3.46 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 0.91 0.00 0.00 0.44 0.00 0.00 21 K 7.73 3.79 0.00 1.43 1.56 0.00 1.82 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.45 1.18 7.81 22 R 8.11 3.99 0.00 2.16 2.03 0.00 3.15 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 23 A 7.83 4.16 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 S 8.32 4.65 0.00 4.10 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 25 E 7.67 4.08 0.00 2.03 1.93 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 2.27 2.18 0.00 26 N 8.10 4.43 0.00 2.33 2.61 0.00 0.00 6.84 7.45 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 27 F 7.70 4.55 0.00 3.21 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.64 4.13 0.00 1.99 1.92 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 2.32 2.28 0.00 29 D 8.61 4.40 0.00 2.87 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 30 V 7.65 4.62 2.13 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 0.78 0.00 0.00 0.97 0.00 0.00 31 S 8.77 4.74 0.00 4.03 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 32 I 8.69 4.84 1.88 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 1.04 0.59 0.81 0.00 0.00 *33 E 8.68 4.78 0.00 1.65 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 2.12 2.12 0.00 34 L 8.34 5.05 0.00 1.51 1.67 0.78 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.38 4.36 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 0.93 0.00 0.00 1.04 0.00 0.00 36 E 9.10 4.42 0.00 1.99 1.80 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 2.12 1.82 0.00 37 S 7.64 4.62 0.00 3.82 3.74 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0.00 *114 R 9.03 4.22 0.00 1.81 1.83 0.00 3.26 0.00 0.00 3.15 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.44 0.00 115 S 7.53 4.46 0.00 3.59 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 *116 R 8.48 3.99 0.00 1.87 1.83 0.00 3.31 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 1.55 1.19 0.00 *117 R 7.60 4.47 0.00 1.86 1.78 0.00 3.18 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.46 0.00 118 L 8.00 4.91 0.00 1.52 1.47 0.79 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 0.00 119 P 0.00 4.52 0.00 1.90 1.94 0.00 3.68 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 120 H 8.56 3.64 0.00 2.59 2.91 0.00 5.56 0.00 0.00 0.00 0.00 6.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 M 8.57 4.96 0.00 1.97 1.83 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 122 G 8.04 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 0.00 123 W 8.79 5.25 0.00 3.25 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 0.00 124 N 9.71 5.40 0.00 2.77 2.27 0.00 0.00 6.41 7.05 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 0.00 125 E 8.34 4.08 0.00 1.19 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 2.16 1.84 0.00 126 V 8.82 4.44 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 0.35 0.00 0.00 0.99 0.00 0.00 127 I 8.45 4.63 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 1.14 0.83 0.93 0.00 0.00 128 F 9.63 5.10 0.00 3.28 3.30 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 0.00 129 K 9.60 4.34 0.00 1.73 1.97 0.00 2.00 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.54 1.47 7.81 130 D 8.42 4.37 0.00 2.74 2.65 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 0.00 0.00 0.00 0.00 131 T 8.74 3.48 3.64 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 0.36 0.00 0.00 132 F 7.16 4.43 0.00 1.51 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 0.00 0.00 0.00 133 P 0.00 4.52 0.00 2.23 2.10 0.00 3.82 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.17 0.00 134 N 9.12 4.91 0.00 2.84 2.87 0.00 0.00 7.08 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 0.00 135 G 7.62 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 0.00 136 Y 8.12 5.00 0.00 2.85 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 0.00 137 Y 9.25 4.83 0.00 2.24 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 0.00 0.00 0.00 138 A 8.23 4.29 0.44 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 0.00 139 F 9.34 5.01 0.00 2.91 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 0.00 140 V 8.45 5.13 2.12 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 0.74 0.00 0.00 0.88 0.00 0.00 141 H 9.32 4.92 0.00 3.37 3.43 0.00 5.48 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 T 8.72 4.12 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 143 Y 7.91 5.12 0.00 3.01 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 0.00 144 R 9.13 4.73 0.00 1.67 1.60 0.00 2.60 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 145 A 8.53 4.48 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 V 8.48 4.36 1.97 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 0.96 0.00 0.00 0.86 0.00 0.00 147 C 8.31 4.99 0.00 3.21 3.04 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 0.00 148 E 8.83 4.26 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 149 E 9.05 3.97 0.00 2.00 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 2.42 2.28 0.00 *150 E 8.34 3.96 0.00 1.98 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 151 H 8.37 5.33 0.00 3.24 3.35 0.00 5.59 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 V 7.49 4.17 2.22 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 0.73 0.00 0.00 1.03 0.00 0.00 153 L 9.18 4.72 0.00 1.82 1.75 1.12 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.90 4.21 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 0.00 155 T 8.37 5.01 4.14 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 1.09 0.00 0.00 156 T 8.32 4.96 3.29 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 0.81 0.00 0.00 157 E 8.64 5.10 0.00 1.93 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 2.18 2.35 0.00 158 Y 8.81 4.67 0.00 2.72 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 D 9.39 4.12 0.00 1.65 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.24 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 0.00 0.00 0.00 161 E 7.79 4.58 0.00 2.06 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 2.32 2.29 0.00 162 I 8.42 4.93 1.88 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 1.40 0.71 0.86 0.00 0.00 163 F 8.68 4.99 0.00 3.13 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.72 0.00 2.05 2.14 0.00 3.98 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.13 0.00 165 S 8.58 4.72 0.00 4.33 4.02 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 0.00 166 A 7.69 5.15 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 0.00 167 V 8.73 4.91 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 0.97 0.00 0.00 1.22 0.00 0.00 168 R 9.20 4.77 0.00 1.89 1.78 0.00 3.16 0.00 0.00 3.26 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 *169 K 8.68 4.69 0.00 1.71 1.66 0.00 1.94 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.21 7.81 170 G 8.74 3.88 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 0.00 0.00 0.00 171 R 8.70 4.01 0.00 1.74 1.89 0.00 3.24 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 172 I 7.31 4.72 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.85 0.80 0.00 0.00 173 L 9.25 5.02 0.00 1.38 1.02 1.21 0.82 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 0.00 174 G 8.55 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 0.00 175 F 8.88 5.03 0.00 2.51 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 0.00 176 Q 8.89 4.11 0.00 2.14 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.68 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 177 F 6.22 4.26 0.00 2.72 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 0.00 178 H 8.69 4.65 0.00 3.03 3.33 0.00 5.62 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 179 P 0.00 4.50 0.00 2.15 2.15 0.00 3.54 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.04 0.00 180 E 8.16 4.18 0.00 2.15 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 2.27 2.25 0.00 181 A 7.97 4.76 1.14 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 0.00 0.00 182 S 7.98 4.69 0.00 4.16 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 0.00 183 S 8.36 3.67 0.00 4.18 3.77 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 0.00 184 K 8.76 3.92 0.00 1.91 1.85 0.00 1.83 0.00 0.00 1.74 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.53 1.08 7.81 185 I 7.76 3.89 1.75 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 1.50 1.33 0.55 0.00 0.00 186 G 8.01 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 187 R 7.81 3.92 0.00 1.83 2.08 0.00 3.36 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.80 0.00 188 K 8.23 4.04 0.00 2.16 1.97 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.43 1.32 7.81 189 L 8.18 4.08 0.00 2.10 2.04 0.26 0.12 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 0.00 190 L 8.36 4.04 0.00 1.86 1.70 0.88 0.71 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 0.00 191 E 8.66 4.05 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 2.71 2.65 0.00 192 K 8.26 4.25 0.00 2.00 2.12 0.00 1.31 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.18 1.12 7.81 193 V 7.72 3.77 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 0.95 0.00 0.00 1.18 0.00 0.00 194 I 7.73 3.63 1.58 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 1.37 0.84 0.00 0.00 0.00 195 E 8.24 4.02 0.00 2.01 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 0.00 2.68 2.78 0.00 196 C 7.26 4.26 0.00 2.82 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 0.00 197 S 7.18 4.23 0.00 3.90 3.49 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 0.00 198 L 7.55 4.15 0.00 1.72 1.54 0.91 0.85 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 * Residues marked with a * may have inaccurate shift predictions.