NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 Q 4.3922 8.2033 118.8311 55.8136 31.4664 176.7199 11 Q 3.8576 8.1635 116.5483 58.0897 29.1565 177.6084 12 N 4.4263 8.9844 118.3688 55.9468 39.1103 177.2540 13 K 3.9956 8.0201 119.6608 59.4062 32.2475 179.0352 14 R 3.6402 8.2231 119.0199 59.3114 30.0073 178.3010 15 L 3.8274 7.9189 119.9843 58.0334 42.0657 178.7670 16 I 3.6819 8.0741 120.4153 64.7887 37.0870 178.5253 17 T 3.8855 7.7933 110.2358 64.7464 68.5805 176.2255 18 I 3.5336 7.5881 122.7456 64.3840 37.1720 178.3358 19 S 4.1122 8.0198 115.5245 61.9297 62.6756 176.7561 20 M 4.0852 7.9144 121.1760 58.5164 31.7568 178.8798 21 L 4.0586 8.1266 119.1259 57.9209 41.6910 179.8272 22 S 4.1660 8.3246 115.0170 61.1992 62.7251 176.5679 23 A 4.0695 8.0712 123.5488 55.3963 18.2225 179.7047 24 I 3.6769 7.9262 118.0723 64.3791 36.9182 178.6101 25 A 3.9630 7.8955 120.5475 55.0984 18.5986 178.9175 26 F 4.2861 8.4998 119.6268 61.7886 39.3165 176.9517 27 V 3.3139 7.7313 117.3505 66.2586 30.9978 177.6541 28 L 4.1132 8.1279 117.7792 57.1384 41.3961 179.5621 29 T 4.2025 7.0602 117.0971 65.6034 68.3256 175.8303 30 F 4.7880 7.4509 118.4318 58.4276 40.7038 176.9220 31 I 4.3194 7.0982 121.0592 59.9844 35.2217 174.8136 32 K 4.6717 7.9128 120.7290 54.4392 35.8538 178.0986 33 F 4.8523 7.9736 116.3932 55.1757 38.9563 171.6052 34 P 4.5950 0.0000 0.0000 62.4044 32.7667 175.3509 35 I 4.3262 8.2156 122.3108 59.2971 38.4091 173.9734 36 P 4.1075 0.0000 0.0000 64.1125 31.4631 177.1672 37 F 4.1116 8.3223 118.5497 57.7710 37.4872 174.8874 38 L 4.8813 7.4518 119.5960 51.6668 44.2111 174.2555 39 P 4.3310 0.0000 0.0000 62.3495 31.8972 174.5145 40 P 4.7172 0.0000 0.0000 62.9623 32.1056 175.8615 41 Y 4.1981 8.6106 116.7157 58.5703 38.5119 175.3493 42 L 3.8766 7.1945 121.6831 53.5644 41.7152 176.4216 43 T 3.8626 8.1609 114.3966 61.6028 70.0521 170.8590 44 L 3.7560 8.8449 132.3280 54.0947 42.0077 172.4226 45 D 4.1966 7.6106 123.3675 52.2380 42.3292 174.7947 46 F 4.8815 8.4167 116.3234 57.6457 39.1090 178.0650 47 S 4.3375 8.0982 115.5551 60.1726 63.1368 174.1688 48 D 4.6342 7.7323 120.3598 55.3568 42.4938 178.6797 49 V 3.6946 7.6660 119.4596 65.5401 31.4127 176.2990 50 P 4.3519 0.0000 0.0000 65.6563 31.1851 177.9931 51 S 4.0099 8.1610 112.6415 61.5603 62.0642 176.2252 52 L 3.4910 7.5795 120.8453 57.4271 41.0043 179.3739 53 L 4.3294 8.0720 117.9313 57.7939 41.8104 178.9085 54 A 4.2995 8.3280 121.2123 55.6596 18.4140 179.8839 55 T 4.6075 7.4953 109.3340 64.1684 68.6020 175.7614 56 F 5.2099 7.7426 118.7263 57.7698 39.4022 176.3459 57 T 4.6562 7.7626 114.9148 64.3811 71.7322 174.4567 58 F 4.6976 8.3399 120.7567 57.1950 39.5904 175.4014 59 G 3.8651 8.6778 118.1998 45.3861 0.0000 171.3885 60 P 4.0239 0.0000 0.0000 64.9586 31.3164 178.7982 61 V 3.5815 7.6178 112.2925 64.2036 31.4302 177.8371 62 A 4.0123 8.0551 120.2169 55.0664 18.2264 179.5540 63 G 3.4975 7.8865 103.5460 48.2345 0.0000 175.7549 64 I 3.7307 8.0731 123.2451 63.8155 36.9945 178.4164 65 I 3.6843 7.9348 120.8491 64.4870 36.9245 178.6374 66 V 3.5137 7.5306 118.2498 66.0487 31.4544 177.9332 67 A 4.0107 7.9788 120.5437 54.9337 18.1252 179.4667 68 L 3.9809 8.4036 119.0873 58.4467 42.4456 179.2114 69 V 3.5540 8.0037 118.6350 65.7434 31.4037 177.8845 70 K 3.9068 8.0047 118.5000 60.4048 32.3064 178.8860 71 N 4.4286 8.0835 117.4918 55.5681 38.4771 177.3658 72 L 4.0759 8.0096 120.4217 57.8406 41.9250 179.2831 73 L 3.6895 7.4745 118.2822 58.0206 41.5260 179.2140 74 N 4.6637 8.1695 116.5963 57.1431 38.4951 175.8315 75 Y 4.4949 8.0286 120.3480 60.5693 39.0012 177.3552 76 L 3.8273 7.8627 119.3909 58.8795 42.2856 179.2965 77 F 4.4033 9.1149 117.6705 59.9300 38.0033 178.5717 78 S 4.6795 8.8584 113.4233 58.4974 62.2096 174.6899 79 M 4.5077 8.1097 121.4638 56.2390 32.3862 175.4069 80 G 4.0929 9.2032 107.7841 45.0434 0.0000 173.1680 81 D 4.7701 7.2298 118.7959 51.8207 40.9850 172.4810 82 P 4.7723 0.0000 0.0000 61.9194 32.2473 177.2096 83 V 4.1915 7.6638 118.1473 63.4453 33.5926 177.5565 84 G 3.9921 8.2611 107.6318 47.2303 0.0000 173.3479 85 P 4.3067 0.0000 0.0000 65.3578 31.2369 178.4060 86 F 4.1595 8.8276 119.1146 61.3083 39.3745 177.0004 87 A 3.9486 8.1680 119.9900 55.2628 18.1966 178.9331 88 N 4.2208 8.3676 115.5553 56.6199 38.9223 176.9628 89 F 3.9473 8.1558 122.1131 61.0812 39.4372 177.0881 90 L 3.6823 7.9035 118.5211 57.6138 41.4349 179.1499 91 A 3.9872 7.9868 120.6689 55.1626 18.2469 179.4831 92 G 3.5994 7.7959 103.6831 48.1351 0.0000 175.5922 93 A 3.7072 7.6644 124.0786 54.2709 17.9040 179.6506 94 S 3.9865 8.1034 113.2583 61.6593 62.8995 176.5198 95 F 4.0144 8.2057 125.0195 60.6193 39.2244 177.0952 96 L 3.8624 8.3068 119.6158 58.5399 40.0932 179.3175 97 L 3.9346 8.1822 120.5320 57.9469 41.6589 179.5339 98 T 3.8838 7.9353 109.5087 64.7664 68.7350 176.3216 99 A 3.9640 7.8900 123.7438 54.9792 18.2712 178.9590 100 Y 4.4939 8.1518 117.8144 60.4817 38.6628 177.2985 101 A 4.4029 8.2191 119.0251 52.3362 18.7934 177.6781 102 I 4.3305 7.8270 120.8533 64.6968 40.4586 177.3410 103 Y 4.6860 8.0670 118.3169 58.7608 38.8753 177.0419 104 K 3.6443 7.8219 118.2874 60.1680 33.1001 177.7593 105 N 4.5072 7.0330 118.0769 51.9272 39.3919 173.7234 106 K 3.6223 8.5665 115.0691 58.4393 32.8547 178.0830 107 R 3.7595 8.3232 120.9663 56.4298 30.8882 174.5535 108 S 4.2569 8.5493 113.1980 59.4022 63.4374 175.8720 109 T 3.9917 9.6561 126.2362 67.8516 68.7149 174.7433 110 K 3.9631 8.1160 119.3804 59.5619 31.9440 179.2089 111 S 4.0825 8.7985 114.0171 60.9394 62.3200 175.6589 112 L 3.8958 8.0305 122.5853 58.4288 41.8622 178.8417 113 I 3.7449 7.7683 119.4378 64.8105 37.0867 178.5081 114 T 4.0243 7.9248 113.4067 64.8272 67.0816 176.4945 115 G 3.5571 8.3251 108.3860 47.6156 0.0000 175.7976 116 L 3.8551 8.0249 121.3350 57.4267 41.7493 179.6491 117 I 3.7306 7.7742 119.7528 64.6336 37.1251 178.6831 118 I 3.7387 7.9701 120.3955 63.8914 36.7533 178.3039 119 A 4.2434 8.0849 123.4879 54.8764 18.0307 179.8828 120 T 4.1407 8.2194 108.1558 64.9653 68.8037 176.8141 121 I 3.6914 7.6620 122.4997 64.3740 37.0752 177.9945 122 V 3.5281 8.2662 119.4562 66.0786 31.2947 177.3156 123 M 4.0080 8.3341 118.9118 58.6682 32.0674 178.7980 124 T 3.9260 8.2005 115.5757 66.6265 68.5989 176.7252 125 I 3.6809 7.8441 121.7265 64.5234 37.2308 178.6192 126 V 3.6299 8.2505 119.3075 66.0031 31.3182 177.9637 127 L 4.1855 8.0668 118.4870 57.3711 41.4829 179.3434 128 S 4.2515 8.2129 114.5296 61.8067 62.8647 175.9265 129 I 3.8894 8.0594 123.4816 63.9437 36.6227 177.9548 130 L 4.1772 8.3477 122.4718 57.5344 41.9989 179.0822 131 N 4.6809 8.5044 116.7881 55.5258 39.3522 175.0419 132 Y 5.0128 8.5894 120.5688 55.7647 35.8163 176.0419 133 F 5.4675 7.2430 127.2001 58.0180 42.6735 175.3730 134 V 4.5835 7.2036 119.0592 62.7254 36.9253 175.6875 135 L 4.1842 8.2013 120.0906 57.4142 41.5246 178.6925 136 L 4.0530 7.8708 119.4504 58.8371 40.1190 177.7206 137 P 4.1039 0.0000 0.0000 64.1095 30.9671 177.3341 138 L 4.4589 7.4856 117.1610 55.4641 41.8706 177.3284 139 Y 4.2482 8.4915 119.7476 59.8868 39.0779 176.4808 140 G 4.0003 8.3438 109.5701 49.6858 0.0000 175.1470 141 M 3.9634 8.1348 120.3474 57.1853 31.9760 180.2270 *153 K 4.6170 8.0473 119.3008 54.7825 34.4003 181.0073 154 V 3.8952 7.8462 114.3135 63.8826 31.3152 178.5754 155 I 3.7717 7.8632 117.7094 64.4280 37.1164 178.0690 156 I 3.9235 7.7141 120.2439 64.4934 37.0203 178.4730 157 V 3.8120 7.9262 118.8562 65.2549 30.9635 176.7465 158 S 5.0562 7.9046 113.8717 58.7794 63.9761 175.5096 159 G 4.0616 8.2833 110.7945 45.3926 0.0000 176.1182 160 I 3.6896 7.5000 121.7543 64.5475 37.2995 177.8172 161 I 3.7095 8.0319 120.8052 64.0619 36.7550 176.4175 162 P 4.2194 0.0000 0.0000 66.6842 30.7420 177.3854 163 F 4.1522 7.9289 119.5879 60.7993 39.1997 176.4464 164 N 3.9763 8.7161 115.7012 56.6145 38.4432 177.2578 165 I 3.6326 7.7929 120.6944 64.7101 37.2146 178.5857 166 I 3.6061 7.2616 120.0916 63.9437 36.8504 178.5114 167 K 3.6158 7.5812 120.6333 59.5665 31.9751 178.4541 168 G 3.5870 8.0056 105.9101 48.4643 0.0000 174.9244 169 I 3.6484 8.1715 121.9471 64.2936 37.2259 178.6177 170 V 3.6309 8.2995 118.5185 66.2518 31.4977 178.2214 171 I 3.7481 7.7249 119.4784 64.6373 36.7871 178.6109 172 S 4.3390 8.0023 115.7352 61.6587 62.7065 176.6663 173 I 3.7569 8.2078 122.8724 64.5049 36.9336 178.6350 174 V 3.6167 8.1731 119.1591 65.9301 31.4016 177.5869 175 F 4.2721 8.7616 120.7897 61.5369 39.1864 177.1254 176 I 3.5239 8.2025 119.4191 64.2911 36.9662 178.1632 177 L 3.9623 7.9990 119.7137 57.9981 41.3038 179.7566 178 L 3.9402 7.6376 117.0591 58.0441 41.8363 178.4795 179 Y 4.1300 8.1278 119.7958 60.8136 38.4117 177.9732 180 R 3.7619 8.1074 119.5112 59.4788 29.9199 178.5534 181 R 4.0798 7.6390 113.1828 57.4416 30.2548 177.5125 182 L 4.2870 7.4511 117.6210 55.5372 41.9325 178.4479 183 A 3.9317 8.8999 122.1244 55.2439 18.1523 179.8566 184 N 3.1991 7.3242 104.5214 54.1680 39.2278 174.5520 185 F 4.5627 8.7284 122.0595 58.2102 40.5406 175.6620 186 L 4.1490 7.7579 123.1290 57.3192 41.2706 176.8762 187 K 4.4329 7.4058 118.2315 58.4806 36.2082 176.9593 188 R 3.7317 7.6107 123.4092 55.2754 29.3445 178.5844 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 10 Q 8.20 4.39 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.80 0.00 0.00 0.00 0.00 0.00 2.34 2.36 0.00 11 Q 8.16 3.86 0.00 2.26 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.90 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 12 N 8.98 4.43 0.00 2.78 2.87 0.00 0.00 7.14 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 13 K 8.02 4.00 0.00 2.05 1.95 0.00 1.76 0.00 0.00 1.79 0.00 0.00 2.91 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.57 1.56 7.81 14 R 8.22 3.64 0.00 2.18 2.12 0.00 3.21 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 1.39 0.84 0.00 15 L 7.92 3.83 0.00 1.72 1.82 0.90 0.86 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 16 I 8.07 3.68 2.02 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 1.58 0.69 0.92 0.00 0.00 17 T 7.79 3.89 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 1.30 0.00 0.00 18 I 7.59 3.53 1.91 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 0.77 0.82 0.00 0.00 19 S 8.02 4.11 0.00 4.08 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 20 M 7.91 4.09 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.59 0.00 21 L 8.13 4.06 0.00 1.85 1.73 1.02 0.88 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 22 S 8.32 4.17 0.00 4.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 A 8.07 4.07 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 24 I 7.93 3.68 1.90 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 1.48 0.53 0.94 0.00 0.00 25 A 7.90 3.96 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 26 F 8.50 4.29 0.00 2.98 3.22 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 0.00 27 V 7.73 3.31 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 1.06 0.00 0.00 0.97 0.00 0.00 28 L 8.13 4.11 0.00 1.87 1.80 1.06 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 29 T 7.06 4.20 3.84 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 0.66 0.00 0.00 30 F 7.45 4.79 0.00 3.02 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 31 I 7.10 4.32 2.04 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 1.47 0.59 1.17 0.00 0.00 32 K 7.91 4.67 0.00 1.62 1.69 0.00 1.23 0.00 0.00 2.43 0.00 0.00 3.10 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.54 1.29 7.81 33 F 7.97 4.85 0.00 3.08 3.11 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 34 P 0.00 4.60 0.00 1.98 2.07 0.00 3.80 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 35 I 8.22 4.33 2.01 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.17 1.04 0.00 0.00 36 P 0.00 4.11 0.00 1.71 1.23 0.00 3.85 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.02 0.00 37 F 8.32 4.11 0.00 3.27 3.20 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 0.00 38 L 7.45 4.88 0.00 1.82 1.56 1.09 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 39 P 0.00 4.33 0.00 1.45 1.86 0.00 3.62 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 1.90 2.17 0.00 40 P 0.00 4.72 0.00 2.22 2.19 0.00 3.96 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 2.00 2.11 0.00 41 Y 8.61 4.20 0.00 3.07 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 42 L 7.19 3.88 0.00 0.87 0.13 0.37 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 43 T 8.16 3.86 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 44 L 8.84 3.76 0.00 1.97 1.47 0.52 0.94 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 45 D 7.61 4.20 0.00 2.87 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 46 F 8.42 4.88 0.00 3.20 3.13 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 47 S 8.10 4.34 0.00 3.93 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 48 D 7.73 4.63 0.00 2.55 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 V 7.67 3.69 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 1.23 0.00 0.00 1.14 0.00 0.00 50 P 0.00 4.35 0.00 2.46 2.34 0.00 3.79 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.06 0.00 51 S 8.16 4.01 0.00 3.84 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 L 7.58 3.49 0.00 1.64 0.28 0.65 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 53 L 8.07 4.33 0.00 1.78 1.95 1.04 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.33 4.30 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 55 T 7.50 4.61 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 0.93 0.00 0.00 56 F 7.74 5.21 0.00 2.97 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 57 T 7.76 4.66 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 58 F 8.34 4.70 0.00 3.06 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 8.68 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 P 0.00 4.02 0.00 2.15 1.93 0.00 3.56 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.02 0.00 61 V 7.62 3.58 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 0.78 0.00 0.00 0.93 0.00 0.00 62 A 8.06 4.01 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 63 G 7.89 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 64 I 8.07 3.73 1.90 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.90 1.09 0.00 0.00 65 I 7.93 3.68 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.71 0.87 0.00 0.00 66 V 7.53 3.51 2.18 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 1.00 0.00 0.00 0.98 0.00 0.00 67 A 7.98 4.01 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 68 L 8.40 3.98 0.00 1.99 1.92 0.51 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 69 V 8.00 3.55 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 0.89 0.00 0.00 0.92 0.00 0.00 70 K 8.00 3.91 0.00 2.07 2.27 0.00 1.34 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.66 1.51 7.81 71 N 8.08 4.43 0.00 3.06 2.97 0.00 0.00 7.09 7.56 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 72 L 8.01 4.08 0.00 1.86 1.70 0.92 0.35 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 73 L 7.47 3.69 0.00 0.62 0.13 0.26 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.17 4.66 0.00 2.96 3.10 0.00 0.00 6.93 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 Y 8.03 4.49 0.00 3.06 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 76 L 7.86 3.83 0.00 2.24 1.73 1.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.11 4.40 0.00 3.31 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 S 8.86 4.68 0.00 4.51 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 M 8.11 4.51 0.00 1.92 2.29 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 80 G 9.20 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 81 D 7.23 4.77 0.00 2.85 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 P 0.00 4.77 0.00 2.19 2.35 0.00 3.51 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.15 0.00 83 V 7.66 4.19 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 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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 0.00 101 A 8.22 4.40 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 0.00 102 I 7.83 4.33 1.84 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 1.14 1.05 0.93 0.00 0.00 103 Y 8.07 4.69 0.00 2.67 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 0.00 104 K 7.82 3.64 0.00 1.60 1.34 0.00 1.54 0.00 0.00 1.55 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.25 7.81 105 N 7.03 4.51 0.00 2.67 2.66 0.00 0.00 7.31 6.56 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 0.00 106 K 8.57 3.62 0.00 1.70 1.71 0.00 1.91 0.00 0.00 1.66 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.40 1.45 7.81 107 R 8.32 3.76 0.00 1.85 1.89 0.00 3.26 0.00 0.00 3.17 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.52 0.00 108 S 8.55 4.26 0.00 3.83 3.51 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.66 3.99 4.28 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 1.26 0.00 0.00 110 K 8.12 3.96 0.00 1.78 1.86 0.00 1.65 0.00 0.00 1.74 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.53 1.51 7.81 111 S 8.80 4.08 0.00 3.77 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 0.00 112 L 8.03 3.90 0.00 1.86 1.83 0.36 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 113 I 7.77 3.74 1.90 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 1.47 0.81 0.94 0.00 0.00 114 T 7.92 4.02 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 1.34 0.00 0.00 115 G 8.33 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 0.00 0.00 0.00 116 L 8.02 3.86 0.00 1.94 1.88 1.17 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 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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 1.41 1.07 0.91 0.00 0.00 126 V 8.25 3.63 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 1.05 0.00 0.00 1.00 0.00 0.00 127 L 8.07 4.19 0.00 2.08 1.73 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.21 4.25 0.00 3.91 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 0.00 129 I 8.06 3.89 2.10 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 1.54 0.88 0.95 0.00 0.00 130 L 8.35 4.18 0.00 1.73 1.88 1.01 1.05 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 0.00 131 N 8.50 4.68 0.00 3.03 3.01 0.00 0.00 6.85 6.96 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 0.00 132 Y 8.59 5.01 0.00 3.06 3.13 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 0.00 133 F 7.24 5.47 0.00 3.13 3.22 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 0.00 134 V 7.20 4.58 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.09 0.00 0.00 135 L 8.20 4.18 0.00 1.82 1.82 1.16 1.10 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 0.00 136 L 7.87 4.05 0.00 1.71 1.75 0.16 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 137 P 0.00 4.10 0.00 2.16 2.11 0.00 3.55 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 138 L 7.49 4.46 0.00 1.70 1.66 0.97 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 139 Y 8.49 4.25 0.00 2.91 3.13 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 0.00 140 G 8.34 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 0.00 141 M 8.13 3.96 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.35 0.00 *153 K 8.05 4.62 0.00 1.70 1.88 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.82 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.04 7.81 154 V 7.85 3.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 1.01 0.00 0.00 155 I 7.86 3.77 1.92 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 1.67 0.51 0.94 0.00 0.00 156 I 7.71 3.92 2.24 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 1.65 0.62 1.07 0.00 0.00 157 V 7.93 3.81 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 0.98 0.00 0.00 0.88 0.00 0.00 158 S 7.90 5.06 0.00 3.90 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 0.00 159 G 8.28 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 0.00 160 I 7.50 3.69 1.95 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 1.53 0.84 0.95 0.00 0.00 161 I 8.03 3.71 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 1.57 0.79 0.91 0.00 0.00 162 P 0.00 4.22 0.00 2.31 2.38 0.00 3.66 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.18 0.00 163 F 7.93 4.15 0.00 3.21 3.31 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 0.00 164 N 8.72 3.98 0.00 2.97 2.88 0.00 0.00 7.17 6.53 0.00 0.00 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 I 7.79 3.63 2.03 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 1.51 0.65 0.88 0.00 0.00 166 I 7.26 3.61 1.67 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 1.38 0.82 0.87 0.00 0.00 167 K 7.58 3.62 0.00 0.89 1.33 0.00 1.49 0.00 0.00 1.39 0.00 0.00 2.72 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.05 0.96 7.81 168 G 8.01 3.59 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 0.00 0.00 0.00 169 I 8.17 3.65 1.97 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 1.42 0.71 0.93 0.00 0.00 170 V 8.30 3.63 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 1.26 0.00 0.00 0.97 0.00 0.00 171 I 7.72 3.75 1.83 0.00 0.00 0.47 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 0.26 0.70 0.00 0.00 172 S 8.00 4.34 0.00 4.24 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 I 8.21 3.76 2.07 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 1.47 0.85 0.96 0.00 0.00 174 V 8.17 3.62 2.40 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 1.01 0.00 0.00 1.18 0.00 0.00 175 F 8.76 4.27 0.00 3.23 3.40 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 0.00 176 I 8.20 3.52 2.33 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.54 0.97 0.00 0.00 177 L 8.00 3.96 0.00 1.90 1.72 0.99 0.50 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 0.00 178 L 7.64 3.94 0.00 1.74 1.73 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 179 Y 8.13 4.13 0.00 2.10 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 0.00 180 R 8.11 3.76 0.00 1.97 2.14 0.00 3.28 0.00 0.00 3.05 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.76 0.00 181 R 7.64 4.08 0.00 1.83 1.97 0.00 3.28 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 1.63 1.65 0.00 182 L 7.45 4.29 0.00 1.64 1.48 0.91 1.45 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 0.00 183 A 8.90 3.93 1.22 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 0.00 0.00 0.00 184 N 7.32 3.20 0.00 2.75 2.62 0.00 0.00 6.70 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 0.00 185 F 8.73 4.56 0.00 3.02 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 186 L 7.76 4.15 0.00 1.75 1.81 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 187 K 7.41 4.43 0.00 1.76 1.65 0.00 1.42 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.55 7.81 188 R 7.61 3.73 0.00 1.85 1.74 0.00 3.30 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 * Residues marked with a * may have inaccurate shift predictions.