NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.1271 8.3149 119.9867 58.1378 33.9163 175.4828 5 L 3.4645 8.3499 124.9367 54.6702 37.7446 172.8569 6 E 3.5662 7.8294 120.9688 58.6511 31.2916 177.4440 7 E 4.1563 8.4387 115.2344 57.4503 29.6540 178.6348 8 I 3.6162 7.4575 122.0912 64.4712 37.3043 178.2301 9 L 3.2196 7.5217 119.1137 57.2303 41.4448 178.4574 10 K 4.0946 7.8853 117.0502 58.1808 32.0617 177.3088 11 K 4.3745 7.7670 118.5871 55.6395 33.0221 175.8722 12 Q 4.4811 8.3344 119.0085 53.9023 29.5439 174.4301 13 P 3.8728 0.0000 0.0000 62.8645 31.9334 176.1522 14 L 4.1547 8.6340 123.8195 57.5160 42.0046 177.2032 15 Y 4.7772 7.5386 117.6632 55.7958 41.9067 173.5131 16 S 4.6274 7.3666 121.2368 56.5232 66.1937 173.6756 17 G 4.3336 8.1227 116.3841 44.0259 0.0000 172.8110 18 K 4.1573 8.6753 117.3727 58.2988 32.6298 177.4143 19 A 4.7390 7.8366 117.6463 51.3559 21.7348 175.5016 20 K 5.0407 7.8787 112.8835 55.0639 37.5756 175.3363 21 S 4.9052 8.9475 116.6762 56.8863 66.5960 173.4392 22 I 4.8617 8.8177 125.6229 60.1923 38.7256 174.2792 23 Y 4.9138 9.2779 125.6032 56.0594 40.5772 175.1046 24 E 4.5835 8.8669 123.3695 55.9217 30.8950 175.4954 25 I 4.4341 8.3101 125.1288 62.5841 39.8163 174.7047 26 D 4.4107 7.3870 119.1077 53.3049 41.9489 175.4689 27 D 4.5045 8.9979 116.6260 56.9796 41.3325 176.8257 28 D 5.0277 8.1073 116.5923 52.4106 39.9997 174.8581 29 K 5.1332 8.3502 117.8208 55.8760 36.9383 175.5732 30 V 4.9279 9.1610 116.0812 59.6285 36.8276 173.9267 31 L 5.1293 9.0718 124.3766 53.6053 44.4385 174.9160 32 I 5.0407 9.4746 127.8403 59.7782 39.6928 174.0544 33 E 5.2026 9.6009 129.0130 54.7275 31.7697 174.8598 34 F 4.7761 9.5203 127.5725 56.6573 39.5948 176.0513 35 R 4.6302 8.5016 123.6744 55.6825 31.4705 176.5252 36 D 4.7733 8.5899 117.3620 54.8375 41.9076 176.4366 37 D 4.6640 7.9695 119.5997 54.3316 41.6388 175.5723 38 I 4.6736 8.4787 122.7642 59.3902 41.2949 174.0694 39 T 5.3610 8.4860 117.2711 60.6526 72.4957 171.9819 40 A 4.1143 9.2899 122.8991 52.4240 22.7117 175.3202 41 G 3.8393 9.1325 112.7185 45.9846 0.0000 173.8696 *43 G 3.9269 7.4372 108.7328 44.7349 0.0000 172.5105 44 A 4.2155 8.0090 119.0098 53.0934 19.6586 177.6365 45 K 4.7063 8.3168 118.4030 54.6712 34.8479 174.5013 46 H 5.5496 8.5722 125.4653 55.2185 33.5416 171.0639 47 D 4.4352 7.3653 120.4798 53.9392 45.6854 174.8088 48 V 4.7196 8.4650 121.2935 61.0271 33.9662 174.5418 49 K 4.5616 8.3897 127.8043 54.0775 34.7946 175.8929 50 Q 4.3657 8.1434 126.1700 57.1648 29.4947 176.3595 51 G 4.1522 9.1873 113.6004 45.3703 0.0000 175.0803 52 K 4.0892 8.2251 120.7356 59.6521 32.2338 178.9630 53 G 4.2042 8.5155 107.3911 47.3357 0.0000 174.9362 54 Y 4.8536 7.9397 122.6195 60.2408 38.8765 178.0927 55 L 3.4777 7.9768 119.7950 57.7934 41.6398 179.4157 56 N 4.2201 8.4541 116.3195 55.9702 38.4820 177.4522 57 A 2.5800 7.7434 122.3452 54.4114 18.2512 179.4663 58 L 2.9138 7.3662 118.7220 57.9214 42.1003 179.3069 59 I 3.4892 7.4986 119.8329 64.3494 37.0152 178.2557 60 S 4.1686 7.8436 115.5384 60.8804 62.1549 176.4325 61 S 3.5487 7.7273 117.6663 61.2016 62.5365 176.6223 62 K 3.7751 7.3861 122.4066 59.3900 31.8417 178.9507 63 L 3.7628 7.6769 119.2804 57.5990 41.4709 179.4603 64 F 4.2954 7.7546 117.8116 60.6048 38.8083 177.4594 65 E 4.0438 8.0083 117.9380 59.4708 29.0317 179.3733 66 A 3.9659 7.6604 119.6318 54.9317 18.7033 179.4429 67 L 4.0606 8.0383 117.6650 58.1386 41.9135 179.4563 68 E 4.4839 8.6024 120.1606 59.0727 29.1677 179.4296 69 E 4.1170 8.1152 117.4862 58.5287 29.4921 178.0036 70 N 4.8289 7.9487 114.6591 52.7631 38.9961 176.0036 71 G 3.9446 7.9114 109.5705 44.9856 0.0000 174.3360 72 V 3.7601 7.5185 120.6237 62.4113 32.4228 174.5504 73 K 4.6449 8.6814 127.3416 56.2088 33.2357 176.1061 74 T 5.3631 9.3515 115.5137 59.9832 71.9761 173.4151 75 H 4.6426 8.5220 114.8400 55.9936 29.8100 174.6143 76 Y 4.2111 7.6537 122.2242 58.5230 38.5683 174.1517 77 I 4.1862 7.8718 126.5042 61.4446 39.0415 175.7068 78 K 3.9266 6.9131 117.8719 56.2869 35.5843 172.2917 79 Y 5.3504 8.7548 122.0321 56.1704 40.9178 174.8772 80 I 4.1891 8.2341 127.0630 59.0258 39.5163 174.8390 81 E 3.7797 8.2463 126.4028 56.2974 30.2333 175.9491 82 P 4.7966 0.0000 0.0000 64.0872 32.5757 176.5799 83 R 4.8744 7.3737 114.5894 56.0187 30.8692 174.3613 84 Y 5.5237 7.9453 115.9585 57.6354 41.5160 174.6086 85 M 5.4648 9.1929 120.6271 54.3780 36.4319 173.6317 86 I 4.7696 9.1146 127.3122 60.1986 38.9200 174.7375 87 A 5.1405 8.9573 128.4349 49.6778 23.0265 174.9101 88 K 4.5146 9.1032 120.2175 55.9706 32.8167 177.3831 89 K 4.2236 8.4200 127.1908 56.6484 32.5622 176.3685 90 V 4.6884 8.2918 119.2002 59.6419 36.4154 174.6368 91 E 4.4336 8.7369 123.4347 54.5818 30.4954 175.2195 92 I 4.2511 8.2112 128.6299 61.4858 37.9576 175.9926 93 I 4.0998 8.5393 128.8601 59.2970 37.7479 175.8501 94 P 4.7090 0.0000 0.0000 62.8304 29.1973 176.1301 95 I 5.0210 7.2735 118.3663 60.4140 41.5720 176.4375 96 E 4.4022 9.4334 126.9645 54.9895 31.0760 175.4815 97 V 4.4118 8.5224 126.4968 62.0587 32.9560 174.6393 98 I 4.7530 9.0119 130.1642 59.5132 39.6277 174.8166 99 V 4.5705 7.6545 127.1736 60.9294 33.9590 174.4095 100 R 4.7751 8.9820 126.5499 54.7061 32.6781 175.8524 101 N 4.5547 9.2559 121.1438 53.8799 40.8501 175.1061 102 I 4.8219 7.2168 117.2040 58.7543 40.6157 175.6643 103 A 3.9569 8.7603 128.4518 52.2787 18.9618 176.5260 104 A 4.4890 8.7884 122.5943 51.1502 22.3283 177.0769 105 G 3.8967 8.7943 107.6920 46.7515 0.0000 177.1352 106 S 4.1610 8.6528 115.7474 61.0190 62.7838 176.0367 107 L 4.1433 7.5855 122.9559 58.6926 41.6009 179.0020 108 C 4.4402 8.0629 114.2572 62.5175 28.1718 175.5887 109 R 4.0672 7.4845 119.2168 59.0268 29.8152 178.0097 110 R 4.0748 8.4294 116.3543 56.3852 30.6390 175.8730 111 Y 4.9249 7.2422 114.6608 55.3186 42.3832 174.2211 112 P 4.6289 0.0000 0.0000 62.2608 29.6442 175.6134 113 F 4.8320 7.6820 118.5466 56.0687 41.9143 175.5818 114 E 4.2756 8.7261 125.6221 55.3270 30.2795 175.7970 115 E 4.3895 8.7309 125.9846 57.9933 29.9874 177.6724 116 G 4.2893 9.0949 111.2141 45.3603 0.0000 173.6689 117 K 4.2328 7.8345 122.3293 56.0086 33.4953 175.5734 118 E 4.3229 8.7039 128.4617 56.0632 29.8519 176.2419 119 L 4.3071 8.7189 127.6694 53.5670 42.5070 176.6058 120 P 4.0243 0.0000 0.0000 65.5804 31.4199 176.0660 121 F 4.7192 6.6323 110.8645 54.7094 40.5339 171.7520 122 P 4.4306 0.0000 0.0000 63.1023 31.7246 176.1926 123 I 4.0797 8.2971 126.8489 60.7559 38.4918 175.2289 124 V 4.7467 8.3692 126.2935 61.0972 33.5617 174.3329 125 Q 4.5826 9.4138 128.9164 54.2814 32.4799 173.6586 126 F 5.6178 8.8351 124.5893 56.2371 41.1699 174.0118 127 D 5.2738 8.9442 124.4089 52.5481 43.4791 175.3083 128 Y 4.4895 9.1320 125.3663 57.5409 40.0185 174.5629 129 K 4.4926 8.8231 129.6443 55.6810 31.9722 175.1488 130 N 4.3024 9.1542 126.2560 52.4345 41.2137 174.1964 131 D 4.2608 8.9415 127.2327 57.3510 41.7245 177.6984 132 E 3.7743 8.3712 118.0553 59.3358 29.3927 176.8968 133 Y 4.3202 8.4492 113.0071 57.2290 38.0787 175.5643 134 G 3.7639 8.3163 108.0915 47.2418 0.0000 174.1422 135 D 5.1969 8.5446 114.9081 53.4133 38.8855 172.3611 136 P 4.6008 0.0000 0.0000 62.5943 33.3287 177.5507 137 M 4.8328 8.6458 121.5241 55.5055 33.0114 174.8693 138 L 5.0879 9.1834 123.8236 52.9082 45.6924 174.9987 139 N 5.0670 8.3282 116.3138 50.2322 40.7075 175.0510 140 E 3.9343 8.7752 118.4584 59.6971 29.4503 178.4079 141 D 4.3538 8.0759 118.1793 57.4469 40.8489 178.7665 142 I 3.6046 7.7010 119.3434 64.3057 37.2071 177.9742 143 A 3.8762 7.9904 121.5036 55.2321 18.1197 179.8864 144 V 3.7031 8.1930 117.6216 65.7252 31.4633 178.0430 145 A 3.9802 8.0203 119.3701 55.1439 18.2399 179.0780 146 L 4.0923 7.9489 115.9162 55.3018 41.7573 178.0017 147 G 3.8901 8.0266 107.0739 46.1352 0.0000 174.9664 148 L 4.0147 7.9337 122.0238 57.1470 41.8806 177.0684 149 A 4.3075 7.2036 118.5915 50.4738 21.5994 175.3729 150 T 4.3403 8.1085 110.9698 61.1149 71.1946 176.2824 151 R 3.9240 8.4059 120.4936 59.5154 30.1227 179.0979 152 E 4.0042 8.1703 117.8444 59.4393 29.4985 179.2090 153 E 3.9785 8.2117 118.4965 59.4230 29.6128 179.1504 154 L 4.1431 8.1921 119.2594 58.2681 41.6964 179.5539 155 N 4.4612 8.4246 116.2076 56.0578 38.3766 177.4557 156 K 3.9775 8.1985 121.1918 59.4672 32.1794 178.9009 157 I 3.7202 8.4397 120.5120 64.2984 37.0053 178.2810 158 K 4.1805 8.3744 120.4233 59.5987 32.0253 178.6786 159 E 4.0081 8.4915 118.9534 59.4865 29.3664 179.3995 160 I 3.7164 8.1862 119.8681 64.2364 37.1142 178.1248 161 A 4.1868 8.3918 121.8973 55.5814 18.2967 179.7843 162 L 4.0292 8.2229 117.2891 57.6723 41.6026 179.8330 163 K 3.9822 8.0866 119.8328 59.4145 32.1029 178.9194 164 V 3.5413 8.2632 119.0415 66.0298 31.3543 177.4346 165 N 4.4962 8.5480 116.7343 56.9964 38.7747 176.6226 166 E 4.0308 8.3012 119.9043 59.3276 29.5057 179.6900 167 V 3.5628 7.7835 118.1452 66.0566 31.6204 178.1675 168 L 3.8137 8.0283 118.9939 57.4829 41.4417 179.3652 169 K 3.9771 8.4933 120.0393 59.4891 32.2880 178.7168 170 K 3.9342 7.7939 119.9655 59.3200 31.5856 178.3320 171 L 3.9444 7.7596 120.5159 58.3548 42.0382 178.9685 172 F 4.1870 8.1906 117.7952 60.6201 38.9821 177.1454 173 D 4.8762 8.2967 118.9723 56.9435 40.7552 178.1921 174 E 4.1602 8.0639 117.5404 58.1296 29.4141 178.1985 175 K 4.5923 7.3442 116.6838 55.5641 32.9674 176.5204 176 G 3.9891 7.9428 106.0832 46.5168 0.0000 173.4349 177 I 5.0001 8.1656 119.9747 59.1527 40.8516 174.7505 178 I 4.3657 8.9773 127.4277 59.7517 38.7692 174.9610 179 L 4.2462 8.4466 130.5376 54.3136 41.5306 176.5727 180 V 3.4539 8.3249 127.9273 65.1160 32.5021 175.1501 181 D 4.8342 7.5342 117.3379 53.2615 42.3801 173.7381 182 F 5.2671 7.9258 112.0749 55.9040 41.5036 172.8320 183 K 5.2692 9.1815 122.1020 54.6879 34.3047 175.1796 184 I 4.8756 9.0584 120.3028 59.1717 41.5807 173.9828 185 E 5.0803 8.6831 120.8006 54.6295 33.4237 174.9820 186 I 4.9998 8.3198 122.7153 59.6526 41.0454 174.6847 187 G 4.4832 8.9789 111.4322 44.7061 0.0000 171.0440 188 K 5.8587 8.7588 119.7202 53.8771 34.4876 177.2193 189 D 5.1345 8.4334 124.1853 52.3062 41.2611 176.8283 190 R 3.8483 8.5342 117.0385 59.3392 29.9489 177.5211 191 E 4.2867 8.8754 115.7582 55.9094 29.4953 177.1118 192 G 3.9351 8.3420 107.2583 45.5314 0.0000 173.7512 193 N 4.5753 7.9627 117.5456 52.8582 40.0261 174.3053 194 L 4.7178 8.5024 123.3806 54.3528 42.3860 176.1317 195 L 5.0069 8.9547 124.6954 52.4330 45.6667 176.3710 196 V 3.9670 8.4632 122.8129 63.1473 32.0679 173.7403 197 A 4.3698 8.8764 133.7253 49.4814 21.7515 175.4641 198 D 4.1462 9.0212 116.0942 55.9023 41.7337 176.1725 199 E 5.0371 8.7365 111.6110 54.6684 32.5152 174.8433 200 I 4.2907 8.2503 119.7086 59.6633 38.7675 174.8437 201 S 4.7842 8.7942 119.8058 56.1211 66.1783 173.5091 202 P 4.2395 0.0000 0.0000 64.7639 30.9037 178.4397 203 D 4.4473 7.7229 117.9562 56.1503 41.1174 177.2409 204 T 4.6098 8.3727 107.5728 61.2837 69.2519 173.0686 205 M 5.2376 7.6174 119.9367 54.0144 36.4652 174.5100 206 R 4.8142 8.6064 120.8458 54.7331 32.4207 175.3513 207 L 5.0674 9.3102 124.0236 52.6076 45.3516 175.6553 208 W 5.4845 8.7129 123.1141 54.5358 32.9382 174.5850 209 D 4.6176 8.9455 123.6781 54.3230 41.2872 176.5985 210 K 3.8263 9.1903 128.6410 60.2460 32.1197 177.9830 211 E 4.1334 8.5910 117.8869 59.4409 29.7428 178.2306 212 T 4.0696 8.2032 108.0506 62.1063 69.4785 175.5748 213 R 4.1641 8.2102 119.3243 56.9183 28.1025 175.9515 214 D 4.4363 7.6862 117.5027 54.3531 42.0408 175.9287 215 V 4.2480 8.1675 122.1071 62.8400 32.1161 175.5578 216 L 4.9083 9.1377 126.2920 54.6063 43.3238 175.6964 217 D 4.9991 7.8396 119.7531 51.2052 42.1632 176.3752 218 K 4.4005 8.6394 120.4301 58.7632 31.9118 178.3928 219 D 4.5564 8.8465 118.8971 57.5998 40.6120 178.7747 220 V 3.7281 8.1461 113.3307 63.8207 31.5834 178.3860 221 F 4.2765 8.1021 120.4943 61.3039 39.3202 177.5363 222 R 3.7240 8.0167 113.9765 58.0154 29.1896 177.2898 223 K 4.3243 7.7539 116.7633 55.0989 33.0361 176.2200 224 D 4.3461 7.2742 116.2362 55.4698 38.1736 173.4672 225 L 4.4767 9.5512 118.1985 53.9413 43.8887 179.2569 226 G 3.8791 7.3374 105.8256 45.5849 0.0000 174.5724 227 D 4.5548 8.0773 121.7715 52.8654 40.7138 177.1286 228 V 3.5054 8.0951 126.7723 64.9320 31.3448 178.3008 229 I 3.5882 7.4902 120.1713 63.5219 36.7097 178.1693 230 A 4.0129 7.7191 121.0053 54.8357 18.4762 179.5118 231 K 4.1779 8.0346 117.2747 59.6709 32.0725 179.0263 232 Y 4.2344 8.6855 117.5131 61.2973 37.7274 178.8631 233 R 3.9441 8.5086 119.7097 59.2735 30.1183 178.6042 234 I 3.9800 7.6543 121.2482 63.6402 37.0753 178.4482 235 V 3.5854 7.7212 118.3696 65.8957 31.3989 177.6171 236 A 3.9216 7.7529 119.9326 55.2597 17.6874 179.3129 237 E 3.8986 8.4771 117.2856 59.8586 29.3806 179.8584 238 R 4.0241 8.2035 116.8513 59.1221 30.2012 178.2345 239 L 4.3227 7.8695 115.7619 53.8121 41.8586 176.8378 240 G 3.9091 7.9780 107.0362 46.9077 0.0000 174.6790 241 L 4.4654 8.0584 117.8669 54.1153 42.4896 177.2102 242 L 4.3964 7.6813 124.0105 54.8137 42.0982 176.1321 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 4 K 8.31 4.13 0.00 1.84 1.88 0.00 1.53 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.27 1.44 7.81 5 L 8.35 3.46 0.00 1.91 1.92 0.89 0.49 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 6 E 7.83 3.57 0.00 1.88 1.81 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 2.09 2.05 0.00 7 E 8.44 4.16 0.00 2.11 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 0.00 2.43 2.23 0.00 8 I 7.46 3.62 1.71 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 1.42 1.03 0.97 0.00 0.00 9 L 7.52 3.22 0.00 1.42 1.50 0.60 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 10 K 7.89 4.09 0.00 1.79 1.87 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.47 7.81 11 K 7.77 4.37 0.00 2.00 1.85 0.00 1.71 0.00 0.00 1.86 0.00 0.00 3.03 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.50 1.50 7.81 12 Q 8.33 4.48 0.00 2.06 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.81 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 13 P 0.00 3.87 0.00 1.76 1.40 0.00 3.61 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 1.81 1.34 0.00 14 L 8.63 4.15 0.00 1.75 1.78 0.96 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.54 4.78 0.00 2.95 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 16 S 7.37 4.63 0.00 3.52 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 G 8.12 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.68 4.16 0.00 1.79 1.91 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.46 1.46 7.81 19 A 7.84 4.74 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 20 K 7.88 5.04 0.00 1.53 1.58 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.01 1.18 7.81 21 S 8.95 4.91 0.00 3.98 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 22 I 8.82 4.86 1.95 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.75 0.98 0.00 0.00 23 Y 9.28 4.91 0.00 2.87 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.87 4.58 0.00 1.97 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 2.30 2.45 0.00 25 I 8.31 4.43 2.06 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 1.48 0.82 0.91 0.00 0.00 26 D 7.39 4.41 0.00 2.71 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 27 D 9.00 4.50 0.00 2.69 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 28 D 8.11 5.03 0.00 2.78 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 29 K 8.35 5.13 0.00 1.84 1.67 0.00 1.59 0.00 0.00 1.62 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.41 7.81 30 V 9.16 4.93 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 0.78 0.00 0.00 1.05 0.00 0.00 31 L 9.07 5.13 0.00 1.77 1.66 1.04 0.89 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 32 I 9.47 5.04 2.22 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.99 0.90 0.00 0.00 33 E 9.60 5.20 0.00 2.49 2.37 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 2.38 2.37 0.00 34 F 9.52 4.78 0.00 3.13 3.08 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 35 R 8.50 4.63 0.00 1.85 1.92 0.00 3.20 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 36 D 8.59 4.77 0.00 2.64 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 37 D 7.97 4.66 0.00 2.56 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 I 8.48 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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 48 V 8.46 4.72 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 0.87 0.00 0.00 0.97 0.00 0.00 49 K 8.39 4.56 0.00 1.58 1.56 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.32 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.23 1.10 7.81 50 Q 8.14 4.37 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.49 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 51 G 9.19 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 52 K 8.23 4.09 0.00 1.98 1.84 0.00 1.69 0.00 0.00 1.59 0.00 0.00 3.26 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.62 1.35 7.81 53 G 8.52 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 0.00 0.00 0.00 0.00 54 Y 7.94 4.85 0.00 3.05 3.17 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 55 L 7.98 3.48 0.00 1.77 1.64 1.04 0.33 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 56 N 8.45 4.22 0.00 2.95 3.07 0.00 0.00 6.93 7.59 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 57 A 7.74 2.58 0.96 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 0.00 0.00 58 L 7.37 2.91 0.00 1.39 1.39 0.72 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.50 3.49 1.68 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.60 0.82 0.00 0.00 60 S 7.84 4.17 0.00 3.98 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 61 S 7.73 3.55 0.00 3.49 3.82 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 62 K 7.39 3.78 0.00 1.63 1.75 0.00 1.40 0.00 0.00 1.54 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.32 7.81 63 L 7.68 3.76 0.00 1.30 1.37 0.98 0.58 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 64 F 7.75 4.30 0.00 2.66 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 65 E 8.01 4.04 0.00 2.13 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 2.58 2.45 0.00 66 A 7.66 3.97 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 67 L 8.04 4.06 0.00 1.97 1.78 0.95 1.02 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 68 E 8.60 4.48 0.00 2.17 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 0.00 2.59 2.53 0.00 69 E 8.12 4.12 0.00 2.13 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 2.35 2.50 0.00 70 N 7.95 4.83 0.00 2.77 2.82 0.00 0.00 7.23 7.12 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 71 G 7.91 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 72 V 7.52 3.76 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 0.95 0.00 0.00 73 K 8.68 4.64 0.00 1.74 1.74 0.00 1.69 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.39 7.81 74 T 9.35 5.36 4.10 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 1.47 0.00 0.00 75 H 8.52 4.64 0.00 3.40 3.46 0.00 5.27 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 7.65 4.21 0.00 2.43 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 77 I 7.87 4.19 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.94 0.78 0.00 0.00 78 K 6.91 3.93 0.00 1.72 1.68 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.77 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.33 7.81 79 Y 8.75 5.35 0.00 3.12 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 I 8.23 4.19 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.28 0.90 0.00 0.00 81 E 8.25 3.78 0.00 1.86 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 0.00 2.34 2.31 0.00 82 P 0.00 4.80 0.00 2.20 2.19 0.00 3.82 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 83 R 7.37 4.87 0.00 1.97 2.08 0.00 2.41 0.00 0.00 2.75 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.72 0.00 84 Y 7.95 5.52 0.00 3.11 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 85 M 9.19 5.46 0.00 2.49 2.17 0.00 0.00 0.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.93 2.74 0.00 86 I 9.11 4.77 1.80 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 1.16 0.49 0.87 0.00 0.00 87 A 8.96 5.14 1.04 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 0.00 0.00 88 K 9.10 4.51 0.00 1.61 1.76 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.47 7.81 89 K 8.42 4.22 0.00 1.81 1.73 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.44 7.81 90 V 8.29 4.69 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 0.79 0.00 0.00 0.92 0.00 0.00 91 E 8.74 4.43 0.00 2.04 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 2.21 2.25 0.00 92 I 8.21 4.25 1.80 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 1.30 0.87 0.86 0.00 0.00 93 I 8.54 4.10 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 1.26 0.45 0.87 0.00 0.00 94 P 0.00 4.71 0.00 2.23 2.26 0.00 3.65 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.09 0.00 95 I 7.27 5.02 1.69 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.65 0.65 0.00 0.00 96 E 9.43 4.40 0.00 1.88 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 2.26 2.23 0.00 97 V 8.52 4.41 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 1.18 0.00 0.00 0.55 0.00 0.00 98 I 9.01 4.75 1.84 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 1.09 0.49 0.79 0.00 0.00 99 V 7.65 4.57 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 0.00 0.00 0.85 0.00 0.00 0.67 0.00 0.00 100 R 8.98 4.78 0.00 1.45 1.54 0.00 2.95 0.00 0.00 2.97 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.38 0.00 101 N 9.26 4.55 0.00 2.73 2.76 0.00 0.00 6.39 7.17 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 0.00 102 I 7.22 4.82 1.47 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 1.20 0.47 0.83 0.00 0.00 103 A 8.76 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.79 4.49 1.23 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 0.00 0.00 105 G 8.79 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 0.00 106 S 8.65 4.16 0.00 4.07 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 0.00 107 L 7.59 4.14 0.00 1.77 1.77 0.87 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 108 C 8.06 4.44 0.00 3.19 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 0.00 109 R 7.48 4.07 0.00 1.85 2.13 0.00 3.23 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 110 R 8.43 4.07 0.00 1.11 1.17 0.00 3.09 0.00 0.00 3.09 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.66 0.00 111 Y 7.24 4.92 0.00 3.22 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 0.00 112 P 0.00 4.63 0.00 2.09 2.06 0.00 3.77 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.92 0.00 113 F 7.68 4.83 0.00 3.12 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 0.00 114 E 8.73 4.28 0.00 2.06 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 2.43 2.37 0.00 115 E 8.73 4.39 0.00 2.06 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 0.00 2.41 2.38 0.00 116 G 9.09 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 0.00 117 K 7.83 4.23 0.00 1.98 1.86 0.00 1.73 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.44 7.81 118 E 8.70 4.32 0.00 2.03 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 0.00 2.27 2.32 0.00 119 L 8.72 4.31 0.00 1.51 1.26 0.58 0.41 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 0.00 120 P 0.00 4.02 0.00 2.38 2.26 0.00 3.61 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.00 0.00 121 F 6.63 4.72 0.00 2.93 3.03 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 0.00 122 P 0.00 4.43 0.00 2.03 2.08 0.00 3.87 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 2.09 2.26 0.00 123 I 8.30 4.08 1.58 0.00 0.00 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.04 0.76 0.00 0.00 124 V 8.37 4.75 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 0.79 0.00 0.00 0.95 0.00 0.00 125 Q 9.41 4.58 0.00 2.05 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.54 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 126 F 8.84 5.62 0.00 2.96 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 0.00 127 D 8.94 5.27 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 9.13 4.49 0.00 2.95 2.99 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 0.00 129 K 8.82 4.49 0.00 1.76 1.65 0.00 1.84 0.00 0.00 1.57 0.00 0.00 2.83 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.34 1.33 7.81 130 N 9.15 4.30 0.00 1.44 2.01 0.00 0.00 6.68 8.80 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 0.00 131 D 8.94 4.26 0.00 2.77 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 0.00 132 E 8.37 3.77 0.00 1.93 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 0.00 1.74 2.17 0.00 133 Y 8.45 4.32 0.00 3.18 3.08 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 0.00 134 G 8.32 3.76 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 0.00 0.00 0.00 135 D 8.54 5.20 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.60 0.00 2.22 2.30 0.00 3.85 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.17 0.00 137 M 8.65 4.83 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.49 0.00 138 L 9.18 5.09 0.00 1.70 1.58 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 139 N 8.33 5.07 0.00 2.83 2.89 0.00 0.00 5.54 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 E 8.78 3.93 0.00 2.01 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 0.00 2.38 2.44 0.00 141 D 8.08 4.35 0.00 2.71 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.70 3.60 1.96 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 1.55 0.84 0.81 0.00 0.00 143 A 7.99 3.88 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 V 8.19 3.70 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 1.19 0.00 0.00 0.96 0.00 0.00 145 A 8.02 3.98 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.95 4.09 0.00 1.65 1.50 0.28 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 147 G 8.03 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 0.00 0.00 0.00 148 L 7.93 4.01 0.00 1.64 1.74 0.68 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 149 A 7.20 4.31 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 T 8.11 4.34 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 151 R 8.41 3.92 0.00 1.88 2.03 0.00 3.13 0.00 0.00 3.33 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.73 0.00 152 E 8.17 4.00 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 0.00 153 E 8.21 3.98 0.00 2.20 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 2.34 2.36 0.00 154 L 8.19 4.14 0.00 1.93 1.99 1.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 155 N 8.42 4.46 0.00 2.77 2.89 0.00 0.00 6.69 7.40 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 0.00 156 K 8.20 3.98 0.00 1.97 2.01 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.55 7.81 157 I 8.44 3.72 2.13 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 1.67 0.73 0.70 0.00 0.00 158 K 8.37 4.18 0.00 1.98 2.05 0.00 1.47 0.00 0.00 1.60 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.52 7.81 159 E 8.49 4.01 0.00 2.29 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 2.35 2.56 0.00 160 I 8.19 3.72 2.08 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 1.49 0.83 0.97 0.00 0.00 161 A 8.39 4.19 1.53 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 0.00 0.00 0.00 0.00 0.00 0.00 162 L 8.22 4.03 0.00 1.76 1.79 0.95 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 163 K 8.09 3.98 0.00 1.93 2.03 0.00 1.55 0.00 0.00 1.59 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.51 7.81 164 V 8.26 3.54 2.43 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 0.63 0.00 0.00 1.04 0.00 0.00 165 N 8.55 4.50 0.00 3.31 3.14 0.00 0.00 7.26 7.97 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 0.00 166 E 8.30 4.03 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 2.61 2.49 0.00 167 V 7.78 3.56 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 1.00 0.00 0.00 0.97 0.00 0.00 168 L 8.03 3.81 0.00 1.59 1.74 0.40 1.09 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 0.00 169 K 8.49 3.98 0.00 1.98 1.84 0.00 1.64 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.49 7.81 170 K 7.79 3.93 0.00 1.86 1.98 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 171 L 7.76 3.94 0.00 1.70 1.51 0.72 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 172 F 8.19 4.19 0.00 3.09 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173 D 8.30 4.88 0.00 2.90 2.89 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 0.00 174 E 8.06 4.16 0.00 2.14 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 2.33 2.66 0.00 175 K 7.34 4.59 0.00 1.92 1.84 0.00 2.00 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.49 7.81 176 G 7.94 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 0.00 177 I 8.17 5.00 2.19 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.78 0.69 0.00 0.00 178 I 8.98 4.37 1.98 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.83 0.00 0.00 179 L 8.45 4.25 0.00 1.64 1.63 0.89 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.32 3.45 1.57 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 0.27 0.00 0.00 -0.90 0.00 0.00 181 D 7.53 4.83 0.00 2.70 2.51 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 0.00 182 F 7.93 5.27 0.00 3.08 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 0.00 183 K 9.18 5.27 0.00 1.74 1.74 0.00 1.86 0.00 0.00 1.78 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.36 1.36 7.81 184 I 9.06 4.88 1.99 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.91 1.11 0.00 0.00 185 E 8.68 5.08 0.00 1.91 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 2.26 2.30 0.00 186 I 8.32 5.00 1.81 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 1.29 0.78 0.90 0.00 0.00 187 G 8.98 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 K 8.76 5.86 0.00 1.72 1.71 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.19 7.81 189 D 8.43 5.13 0.00 2.90 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 0.00 190 R 8.53 3.85 0.00 1.82 2.05 0.00 3.36 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 191 E 8.88 4.29 0.00 2.07 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 0.00 2.29 2.24 0.00 192 G 8.34 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 0.00 193 N 7.96 4.58 0.00 3.15 2.75 0.00 0.00 7.08 6.74 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 0.00 194 L 8.50 4.72 0.00 1.54 1.64 0.93 0.92 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 0.00 195 L 8.95 5.01 0.00 1.49 1.50 0.94 0.67 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 0.00 196 V 8.46 3.97 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.01 0.00 0.00 197 A 8.88 4.37 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 0.00 198 D 9.02 4.15 0.00 2.78 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 0.00 0.00 0.00 199 E 8.74 5.04 0.00 2.34 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 0.00 2.21 2.38 0.00 200 I 8.25 4.29 1.38 0.00 0.00 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.59 0.65 0.00 0.00 201 S 8.79 4.78 0.00 3.95 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 0.00 202 P 0.00 4.24 0.00 0.49 1.38 0.00 3.46 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 203 D 7.72 4.45 0.00 2.72 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 0.00 204 T 8.37 4.61 4.46 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 1.24 0.00 0.00 205 M 7.62 5.24 0.00 1.72 1.76 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.54 0.00 206 R 8.61 4.81 0.00 1.65 1.61 0.00 3.17 0.00 0.00 3.30 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.68 0.00 207 L 9.31 5.07 0.00 1.40 1.26 0.50 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 208 W 8.71 5.48 0.00 3.22 2.89 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 0.00 209 D 8.95 4.62 0.00 2.86 2.57 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 0.00 0.00 0.00 0.00 210 K 9.19 3.83 0.00 1.88 1.88 0.00 1.89 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.49 7.81 211 E 8.59 4.13 0.00 2.18 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 0.00 2.34 2.26 0.00 212 T 8.20 4.07 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 213 R 8.21 4.16 0.00 1.89 1.88 0.00 3.21 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 214 D 7.69 4.44 0.00 2.64 2.57 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 0.00 0.00 0.00 0.00 215 V 8.17 4.25 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 0.99 0.00 0.00 0.71 0.00 0.00 216 L 9.14 4.91 0.00 1.63 1.69 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 217 D 7.84 5.00 0.00 3.08 2.79 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 0.00 218 K 8.64 4.40 0.00 2.18 2.02 0.00 1.92 0.00 0.00 2.08 0.00 0.00 3.18 0.00 0.00 3.27 0.00 0.00 0.00 0.00 1.71 1.60 7.81 219 D 8.85 4.56 0.00 3.02 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 0.00 220 V 8.15 3.73 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 1.02 0.00 0.00 0.99 0.00 0.00 221 F 8.10 4.28 0.00 3.03 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 0.00 222 R 8.02 3.72 0.00 1.97 2.04 0.00 3.50 0.00 0.00 3.25 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.79 0.00 223 K 7.75 4.32 0.00 1.89 1.80 0.00 1.84 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.35 1.46 7.81 224 D 7.27 4.35 0.00 2.73 2.61 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 0.00 225 L 9.55 4.48 0.00 1.59 1.69 0.91 1.07 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 0.00 226 G 7.34 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 0.00 227 D 8.08 4.55 0.00 2.72 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 0.00 228 V 8.10 3.51 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 0.60 0.00 0.00 0.37 0.00 0.00 229 I 7.49 3.59 1.79 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 1.38 0.38 0.92 0.00 0.00 230 A 7.72 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 231 K 8.03 4.18 0.00 2.09 1.97 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.67 7.81 232 Y 8.69 4.23 0.00 3.06 2.99 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 0.00 233 R 8.51 3.94 0.00 2.04 2.13 0.00 3.16 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.72 0.00 234 I 7.65 3.98 2.10 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 1.69 1.26 0.94 0.00 0.00 235 V 7.72 3.59 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.88 0.00 0.00 236 A 7.75 3.92 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 0.00 237 E 8.48 3.90 0.00 2.20 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 2.35 2.65 0.00 238 R 8.20 4.02 0.00 1.96 2.05 0.00 3.56 0.00 0.00 3.25 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.88 0.00 239 L 7.87 4.32 0.00 1.70 1.57 0.85 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 240 G 7.98 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 241 L 8.06 4.47 0.00 1.64 1.62 0.79 0.65 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 0.00 242 L 7.68 4.40 0.00 1.62 1.57 1.00 0.92 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 * Residues marked with a * may have inaccurate shift predictions.