NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9791 8.2548 109.1386 45.2267 0.0000 172.9467 *2 K 4.4758 8.1227 117.0752 56.5521 33.6683 175.3052 3 I 4.9193 9.2274 127.4030 59.6960 38.9258 174.9386 4 A 5.3608 9.7512 130.9087 50.5621 21.1892 175.2561 5 L 5.3121 9.3179 124.0320 53.3904 44.9947 175.3241 6 I 5.1303 8.8633 125.9735 59.7703 41.1847 174.1904 7 I 4.7354 8.8189 128.1466 59.4050 40.3269 175.6612 8 E 4.4679 8.6670 124.4302 54.6398 31.4987 176.7876 9 N 4.4242 8.8085 116.2763 55.6874 37.4113 177.6059 10 S 4.1911 8.7779 113.3560 60.3581 63.3710 174.8133 11 Q 4.5386 8.1458 117.8921 55.1819 29.8338 176.7277 12 A 4.0311 7.7752 123.9819 55.3334 18.3864 180.3296 13 A 4.1310 7.9193 116.9194 54.4467 18.8450 178.1031 14 K 4.3194 8.2543 114.8391 56.6266 32.7896 178.1604 15 N 4.1762 8.0489 118.7676 56.5935 38.6364 176.5474 16 A 4.0253 7.9048 121.6758 55.1137 18.6237 179.5643 17 V 3.5609 7.7478 116.3253 66.1908 31.6104 178.3186 18 V 3.6897 7.8316 117.9845 66.2495 31.2963 177.4235 19 H 4.1725 8.5437 118.3604 59.1757 29.6186 176.8949 20 E 3.8327 8.5902 121.1531 59.2875 29.0492 178.5873 21 A 4.0898 8.1417 120.8527 55.0372 18.4093 179.4567 22 L 3.5843 8.3229 119.1962 58.4982 42.3825 179.3428 23 T 3.8358 8.0017 109.9747 65.1234 68.4399 176.4014 24 T 3.8766 7.9181 117.7537 65.8683 68.4526 175.7289 25 V 4.1113 7.2139 117.5939 64.7505 32.6035 177.5284 26 A 4.1944 8.3728 120.8820 55.0286 18.0584 179.3369 27 E 4.1357 7.8355 118.0191 58.6544 29.4650 177.8447 28 P 4.1016 0.0000 0.0000 64.3356 31.4929 177.4230 29 L 4.4556 7.6524 116.7630 54.0091 41.7958 176.5779 30 G 3.7267 9.1803 108.7933 46.7159 0.0000 172.8429 31 H 4.9692 7.9065 114.8208 53.6149 32.5879 173.5014 32 K 4.4650 8.4672 118.9962 54.6868 34.5878 175.3195 33 V 4.6428 8.1010 124.9376 61.2975 33.2212 174.6828 34 F 4.5787 9.6237 128.1529 55.9148 40.7850 174.8768 35 N 5.0449 8.7420 124.2905 52.6991 38.6897 173.8861 36 Y 4.3247 9.1636 123.8681 57.6036 38.8271 177.0049 37 G 2.7002 8.1647 109.8807 44.6552 0.0000 174.2674 *39 Y 4.7798 8.2276 115.0368 57.5859 39.5091 175.3206 40 T 4.7248 8.1691 107.3289 59.7523 72.1396 174.1396 41 A 4.2372 8.5162 123.0132 53.9735 18.6914 178.0206 42 E 4.3965 7.7767 113.3558 56.0483 30.0418 176.3431 43 D 4.4727 7.5000 118.5046 54.7146 41.3009 177.1343 44 K 3.9378 8.8766 123.3749 58.9733 32.2511 176.8926 45 A 4.3464 7.7217 121.8091 50.9256 17.6336 175.6972 46 S 4.5850 8.2076 115.7312 58.2784 63.8672 173.0365 47 L 4.9335 8.4634 125.4421 53.1545 44.7847 175.6610 48 T 4.9181 8.2159 112.4245 59.7239 71.0050 174.1665 49 Y 4.2474 8.4677 119.7198 59.9184 38.4495 177.6044 50 V 3.6803 6.8032 117.9678 63.4434 31.0247 177.1309 *52 N 4.6801 8.2868 118.1397 52.6322 40.6740 176.9648 53 G 3.6180 7.8797 104.5664 47.2264 0.0000 175.7908 54 L 3.9219 7.7097 122.2049 57.8372 42.1376 178.6477 55 L 3.8336 7.7953 119.6851 57.7924 42.0392 178.5878 56 A 3.9956 7.7911 121.1145 55.1178 18.2870 179.7791 57 G 3.5681 7.9107 104.0399 47.9106 0.0000 175.8608 58 I 3.7045 7.6143 122.0697 64.1072 37.3070 178.4150 59 L 4.0530 8.1126 119.8917 58.0622 41.5561 179.7934 60 L 4.2158 8.3157 119.1770 57.9235 41.3281 179.3485 61 N 4.4700 8.3686 115.9055 55.4416 38.8454 176.7965 62 S 4.5718 8.3680 114.7103 58.2017 63.5305 175.8578 63 G 3.8399 7.5714 109.5951 45.3434 0.0000 174.3780 64 A 3.8588 7.8824 121.8087 53.6036 18.5521 177.8565 65 A 4.6202 7.5874 116.4957 51.0512 22.2618 175.5786 66 D 4.9066 8.9921 119.5554 54.9814 42.4872 176.7757 67 F 5.0369 7.9693 119.6689 56.8815 43.1525 172.7256 68 V 5.0556 8.2968 125.0615 61.0970 34.6497 174.0723 69 V 4.9399 9.5099 128.2881 61.8711 33.9851 174.3008 70 T 5.1665 8.7898 122.6672 62.5216 70.9228 171.9945 71 G 4.2379 8.7357 107.0860 45.4641 0.0000 171.5671 *73 G 4.0257 8.1507 107.0215 44.7915 0.0000 174.6424 74 T 4.1256 7.9369 106.9277 60.3983 71.2601 173.7843 75 G 3.4125 7.7381 109.8887 45.9118 0.0000 174.5841 *77 G 3.0456 7.8162 108.6674 45.4189 0.0000 175.3882 78 S 4.6019 7.0579 112.7791 58.6230 62.0289 176.4197 *80 L 4.1723 8.1408 121.9109 54.8651 43.4537 179.3545 81 A 4.2336 8.1965 120.0140 54.8576 17.9750 179.6093 82 A 3.9113 7.9701 118.6410 55.4665 18.7002 179.3490 83 N 4.3738 7.3916 112.2189 54.5225 38.9971 176.0620 84 A 4.1710 7.3125 123.6230 50.6969 19.2759 175.4775 *86 P 3.8822 0.0000 0.0000 64.8158 32.5781 177.7706 87 G 3.9686 8.6061 107.8736 45.6899 0.0000 173.2053 88 V 4.1958 6.8540 119.4965 61.3356 32.7508 175.3388 89 F 4.7553 9.5262 126.0290 55.8027 41.1418 172.3959 90 C 4.9027 9.5756 124.5502 57.5516 32.5913 173.3733 91 G 3.3302 8.6166 114.2662 45.3229 0.0000 172.2404 92 L 4.9344 8.1621 124.0854 53.4309 42.8675 175.4885 93 V 4.2393 8.1597 126.8856 61.5201 33.0809 174.0606 94 I 4.2205 8.8250 126.8636 62.3902 39.3493 175.7879 95 D 5.0039 8.1095 118.0991 50.6329 43.3177 175.0136 96 P 4.3005 0.0000 0.0000 65.7656 31.1134 179.1733 97 T 3.9544 7.9472 114.4892 66.4684 68.4186 176.3148 98 D 4.3813 8.9128 121.2281 57.2218 40.9377 178.7773 99 A 4.0121 7.8775 121.0454 55.2112 18.4719 179.4787 100 F 4.0884 8.4357 119.3300 61.5338 39.4452 177.3789 101 L 3.8504 8.4580 118.9287 57.3458 41.3094 179.2588 102 F 4.5936 7.7699 122.5171 60.5984 39.2681 177.5007 103 G 3.4082 7.9480 104.9811 47.8908 0.0000 175.5661 104 Q 4.0120 7.7867 120.1817 57.0673 28.5880 177.7841 105 I 4.0427 7.5722 119.4655 62.4672 38.3292 176.7814 106 N 4.4577 7.7630 115.6595 52.2993 39.7500 174.5406 107 D 3.8807 7.9797 118.7423 54.6828 40.1871 173.0250 108 G 3.9115 6.5437 105.7831 45.8057 0.0000 172.8794 109 N 4.9826 8.4129 112.7672 51.8929 38.5766 173.8049 110 A 4.3530 7.2055 118.4738 51.3827 22.5883 175.8510 111 I 4.8946 8.6623 113.0353 59.2269 41.6305 174.2453 112 S 5.6119 9.3703 118.5250 54.8285 66.2095 170.5798 *114 P 4.0982 0.0000 0.0000 62.7851 31.8110 175.8731 115 Y 3.9880 8.3069 118.1199 58.0671 38.5190 175.4106 116 S 4.5551 8.0504 113.1538 59.6795 65.8183 173.5743 117 K 4.0650 8.4647 121.8859 57.7666 32.1658 177.6393 118 G 3.9294 8.9748 113.9771 45.7848 0.0000 173.6095 119 F 4.5713 7.9640 122.9478 56.1651 39.1997 176.0680 120 G 4.2092 7.4764 121.4078 43.7125 0.0000 171.0960 121 W 4.5758 9.0511 134.8861 58.9592 31.0726 175.7252 122 A 3.0936 7.7436 126.1619 52.6767 15.6229 178.9082 123 A 3.7668 7.3699 120.7978 54.8630 18.1711 179.9638 124 E 4.0310 7.6447 115.5240 58.7477 29.8718 178.9925 125 L 3.9486 7.6021 120.7391 57.5998 41.6012 178.6569 126 N 4.2665 7.8819 116.6237 56.2763 38.8365 176.7693 127 L 3.6158 7.4219 120.7425 57.8292 41.7394 179.5340 128 Q 4.0313 7.7505 117.3308 59.0293 28.3932 178.5421 129 D 4.3384 7.6695 119.1257 57.2666 41.1124 178.7548 130 V 3.6749 7.8247 118.9885 66.1414 31.5480 177.7722 131 Y 4.2424 7.8886 116.8512 61.2296 36.2823 178.7260 132 R 4.2335 8.2674 118.9365 59.0383 29.8938 178.9863 133 K 4.2891 7.6529 116.7757 58.2385 32.2069 178.7099 134 L 4.1200 7.3329 118.0197 56.1972 42.2030 177.3478 135 F 4.8110 7.8322 114.0294 56.9797 39.2961 174.8714 136 D 4.7271 7.8593 121.1719 54.7683 42.1506 175.6156 137 G 3.8540 9.1045 115.1552 45.1371 0.0000 171.8430 138 E 4.4066 8.3140 114.1998 54.8715 30.6301 172.5754 139 R 4.4142 8.4026 122.2912 54.2879 31.9575 175.8716 140 G 3.9108 8.4351 104.3892 46.8011 0.0000 175.2472 141 L 4.0021 7.7214 116.8422 53.8826 42.0072 174.9010 142 G 4.4337 7.4209 113.6114 44.5642 0.0000 172.8850 143 Y 4.6410 8.1853 121.0525 54.8682 41.5367 173.5328 144 P 3.9269 0.0000 0.0000 62.5040 32.1828 178.0683 145 R 4.2880 8.4646 116.5796 58.0307 28.8729 178.3213 146 E 4.3388 8.5861 118.8741 59.5026 30.1458 182.1558 147 R 4.5598 7.6473 116.5179 55.7111 29.8922 179.7546 148 A 3.8994 8.3104 125.6793 57.0818 18.7826 180.6585 149 E 4.1339 8.2181 111.3092 59.2362 30.0896 181.6706 150 I 3.7861 7.2381 117.3310 61.8802 36.3343 177.8897 *152 R 4.1016 8.2497 125.4747 57.0312 31.8750 178.3716 153 K 4.0076 8.0049 122.0509 60.0603 31.7243 180.6837 154 N 4.5177 8.3518 118.3578 56.3529 38.3723 177.7817 155 R 3.9269 7.9297 119.0458 59.0747 30.1901 179.1364 156 G 3.5485 7.7015 105.2226 47.6351 0.0000 175.9795 157 I 3.7622 7.7346 122.1695 63.9880 36.9919 178.2993 158 L 3.9861 7.9823 121.4043 58.2947 41.9231 179.3074 159 R 4.1805 8.2020 120.5684 59.7019 29.6909 179.6343 160 E 4.1658 8.1379 117.7200 60.9396 30.1483 181.5005 161 L 4.3060 8.0340 121.8080 58.0222 42.2012 179.1354 162 K 4.2346 8.3633 120.8222 58.8757 31.8683 178.5153 163 D 4.5762 7.7668 118.1810 57.0417 40.7166 178.0649 164 A 4.2214 7.7093 120.8063 54.5019 18.7869 179.2582 165 S 4.2881 7.8949 112.1985 59.6462 63.7565 173.9056 166 C 4.6207 7.9046 119.7902 57.5947 29.4011 173.9336 167 R 4.2308 8.3131 123.4490 55.6081 31.5070 178.4644 168 D 4.7266 8.2985 116.7428 52.8637 38.7654 178.5407 *170 L 4.0875 8.6616 115.1059 55.1998 43.9091 178.8447 171 T 3.7862 8.1812 115.1693 66.6248 68.3493 176.7767 172 V 3.5550 7.6913 120.1270 65.9570 31.3160 178.1248 173 L 3.9825 7.3896 117.2128 57.1428 41.4263 178.8972 174 K 4.1268 7.7890 118.7867 56.7131 32.3991 177.4969 175 T 4.3885 7.5621 107.0221 61.4903 70.2331 175.1989 176 V 3.7669 7.2968 121.5124 60.6981 32.3291 175.8835 177 D 4.3073 8.5462 119.7977 55.1586 41.8590 177.2588 178 Q 4.1679 8.7121 125.9048 58.3493 29.0875 177.7974 179 D 4.4364 8.1570 119.7846 56.4258 41.0023 178.3204 180 L 3.8726 8.0422 121.2464 57.9984 41.6683 178.6837 181 L 3.8583 7.7987 120.3109 58.3268 41.8162 179.2185 182 R 3.9113 7.7721 116.6372 58.9195 30.1772 178.5537 183 A 4.0783 7.7909 120.2173 54.8245 18.1870 179.5213 184 A 3.9631 7.9331 118.9524 54.0274 18.1237 178.2694 185 I 3.5440 6.8468 107.4650 60.2300 37.8179 177.1102 186 A 4.0719 7.4755 124.0959 53.9171 18.6996 178.7679 187 G 3.9748 7.7246 107.4501 46.3356 0.0000 175.3506 188 E 4.1436 9.0888 118.1779 58.0282 30.0227 177.2534 189 K 4.7001 8.0775 113.7850 56.0371 33.8322 177.3916 190 F 4.2058 8.6282 122.5268 61.6302 39.1474 176.9283 191 A 4.1683 8.4371 119.7188 55.3978 17.9841 179.0571 192 E 3.9545 8.1746 116.2979 59.2686 29.9009 178.3325 193 L 4.2880 7.6276 117.7551 56.7757 42.1395 178.5380 194 F 4.0628 8.1063 121.2151 60.8635 38.8330 176.9115 195 Y 4.0267 7.4252 115.7247 60.7168 37.6687 177.2901 196 P 4.3909 0.0000 0.0000 64.4767 31.4136 176.6172 197 N 4.6694 7.2685 113.5919 53.1438 40.2167 174.3336 198 C 4.1360 7.4694 119.3269 59.1211 31.8143 173.1612 199 K 4.3347 8.8937 125.3296 56.1689 32.6369 176.4118 200 D 4.7831 7.5295 119.0707 52.0183 42.5040 175.3097 201 D 4.4405 8.5855 127.4761 57.1299 40.8637 178.2372 202 A 4.1276 8.1365 120.8809 55.2675 18.3386 179.6453 203 I 3.8531 8.3053 118.0333 64.3360 37.3032 178.4270 204 A 4.5699 8.2287 121.6627 55.5501 18.3268 179.4440 205 N 4.3491 8.9610 115.3389 56.6346 38.4350 177.0043 206 Y 4.0136 8.0070 120.7257 60.6811 38.9301 178.2197 207 L 4.1509 8.3458 119.9928 57.9798 41.5673 179.7191 208 R 4.0662 8.6255 117.5120 59.0667 30.0985 178.7404 209 S 4.2262 7.7579 111.9919 59.8472 63.0030 174.8100 210 L 4.1311 7.4618 127.7807 55.1416 41.5612 176.2971 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 0 G 8.25 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 0.00 0.00 0.00 *2 K 8.12 4.48 0.00 1.91 1.83 0.00 1.58 0.00 0.00 1.69 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.65 1.67 7.81 3 I 9.23 4.92 1.72 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.43 0.72 0.00 0.00 4 A 9.75 5.36 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 9.32 5.31 0.00 1.81 1.61 1.05 0.86 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 I 8.86 5.13 1.90 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.69 0.95 0.00 0.00 7 I 8.82 4.74 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.74 0.86 0.00 0.00 8 E 8.67 4.47 0.00 2.40 2.29 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 2.46 2.43 0.00 9 N 8.81 4.42 0.00 2.98 3.22 0.00 0.00 7.18 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.78 4.19 0.00 4.00 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 11 Q 8.15 4.54 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.74 0.00 0.00 0.00 0.00 0.00 2.55 2.56 0.00 12 A 7.78 4.03 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 13 A 7.92 4.13 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.25 4.32 0.00 1.70 1.57 0.00 1.41 0.00 0.00 1.01 0.00 0.00 3.01 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 1.30 7.81 15 N 8.05 4.18 0.00 2.69 3.01 0.00 0.00 7.02 8.21 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 16 A 7.90 4.03 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 17 V 7.75 3.56 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.00 0.00 0.00 18 V 7.83 3.69 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 1.02 0.00 0.00 0.45 0.00 0.00 19 H 8.54 4.17 0.00 3.36 3.48 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.59 3.83 0.00 2.22 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.33 0.00 21 A 8.14 4.09 1.61 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 0.00 0.00 22 L 8.32 3.58 0.00 1.76 1.82 0.21 0.76 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 23 T 8.00 3.84 4.39 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 1.07 0.00 0.00 24 T 7.92 3.88 4.52 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 1.24 0.00 0.00 25 V 7.21 4.11 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 1.13 0.00 0.00 26 A 8.37 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.84 4.14 0.00 2.16 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 2.37 2.13 0.00 28 P 0.00 4.10 0.00 2.03 2.11 0.00 3.75 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.17 0.00 29 L 7.65 4.46 0.00 1.94 1.69 1.14 1.02 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 30 G 9.18 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 H 7.91 4.97 0.00 3.02 3.04 0.00 5.58 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.47 4.47 0.00 1.81 1.45 0.00 1.45 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.40 1.26 7.81 33 V 8.10 4.64 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 0.82 0.00 0.00 0.77 0.00 0.00 34 F 9.62 4.58 0.00 3.12 2.87 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 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0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.44 1.01 7.81 45 A 7.72 4.35 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 46 S 8.21 4.58 0.00 3.89 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.46 4.93 0.00 1.58 1.48 0.96 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 48 T 8.22 4.92 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 1.13 0.00 0.00 49 Y 8.47 4.25 0.00 2.97 3.09 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 50 V 6.80 3.68 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 0.82 0.00 0.00 0.23 0.00 0.00 *52 N 8.29 4.68 0.00 3.16 2.92 0.00 0.00 6.91 7.76 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 53 G 7.88 3.62 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 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0.00 0.00 0.00 0.00 0.00 117 K 8.46 4.06 0.00 1.70 1.72 0.00 1.86 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.41 7.81 118 G 8.97 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 0.00 0.00 0.00 119 F 7.96 4.57 0.00 3.10 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 0.00 120 G 7.48 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 0.00 121 W 9.05 4.58 0.00 3.34 3.09 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 0.00 122 A 7.74 3.09 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 0.00 123 A 7.37 3.77 0.20 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 0.00 124 E 7.64 4.03 0.00 2.20 2.21 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 2.26 2.28 0.00 125 L 7.60 3.95 0.00 1.65 1.64 0.74 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 126 N 7.88 4.27 0.00 2.72 2.83 0.00 0.00 7.22 6.66 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 0.00 127 L 7.42 3.62 0.00 1.80 1.31 1.21 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.75 4.03 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.67 2.61 0.00 129 D 7.67 4.34 0.00 2.74 2.67 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 0.00 0.00 0.00 0.00 130 V 7.82 3.67 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 1.00 0.00 0.00 0.91 0.00 0.00 131 Y 7.89 4.24 0.00 3.16 3.21 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 0.00 132 R 8.27 4.23 0.00 2.11 2.01 0.00 3.14 0.00 0.00 3.20 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.87 0.00 133 K 7.65 4.29 0.00 1.88 1.98 0.00 1.74 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.73 1.82 7.81 134 L 7.33 4.12 0.00 0.50 0.43 0.86 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 135 F 7.83 4.81 0.00 3.01 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 D 7.86 4.73 0.00 2.76 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 0.00 137 G 9.10 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.31 4.41 0.00 2.00 1.74 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 2.19 1.89 0.00 139 R 8.40 4.41 0.00 1.82 2.04 0.00 3.49 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 140 G 8.44 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 0.00 141 L 7.72 4.00 0.00 1.90 1.73 0.97 0.82 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 0.00 142 G 7.42 4.43 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 0.00 143 Y 8.19 4.64 0.00 2.97 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 0.00 144 P 0.00 3.93 0.00 2.06 1.53 0.00 3.54 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 1.90 1.54 0.00 145 R 8.46 4.29 0.00 1.83 1.81 0.00 3.25 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 146 E 8.59 4.34 0.00 1.92 1.87 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 2.20 2.11 0.00 147 R 7.65 4.56 0.00 1.72 1.90 0.00 3.23 0.00 0.00 3.34 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.18 0.00 148 A 8.31 3.90 1.29 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 0.00 149 E 8.22 4.13 0.00 1.91 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 2.31 1.90 0.00 150 I 7.24 3.79 1.86 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 1.17 0.47 0.90 0.00 0.00 *152 R 8.25 4.10 0.00 1.97 2.13 0.00 3.18 0.00 0.00 3.37 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 153 K 8.00 4.01 0.00 1.84 1.80 0.00 1.88 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.37 1.35 7.81 154 N 8.35 4.52 0.00 2.76 2.89 0.00 0.00 7.13 8.52 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 0.00 155 R 7.93 3.93 0.00 1.93 1.80 0.00 3.06 0.00 0.00 3.30 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 156 G 7.70 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 I 7.73 3.76 2.05 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 1.66 0.81 0.91 0.00 0.00 158 L 7.98 3.99 0.00 1.83 1.73 1.05 0.84 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 0.00 159 R 8.20 4.18 0.00 2.00 1.99 0.00 3.11 0.00 0.00 2.96 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.58 0.00 160 E 8.14 4.17 0.00 2.07 1.86 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 2.26 2.18 0.00 161 L 8.03 4.31 0.00 1.89 1.97 0.94 0.21 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 0.00 162 K 8.36 4.23 0.00 2.11 1.92 0.00 1.34 0.00 0.00 1.18 0.00 0.00 2.73 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.37 1.29 7.81 163 D 7.77 4.58 0.00 2.94 2.74 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 0.00 164 A 7.71 4.22 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 0.00 165 S 7.89 4.29 0.00 4.05 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 C 7.90 4.62 0.00 2.97 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 R 8.31 4.23 0.00 1.76 1.83 0.00 3.20 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 168 D 8.30 4.73 0.00 2.80 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *170 L 8.66 4.09 0.00 1.74 1.91 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 171 T 8.18 3.79 4.34 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 172 V 7.69 3.56 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 0.98 0.00 0.00 0.99 0.00 0.00 173 L 7.39 3.98 0.00 1.54 1.52 0.95 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 174 K 7.79 4.13 0.00 1.72 1.74 0.00 1.47 0.00 0.00 1.50 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.59 0.97 7.81 175 T 7.56 4.39 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 1.22 0.00 0.00 176 V 7.30 3.77 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 0.71 0.00 0.00 0.89 0.00 0.00 177 D 8.55 4.31 0.00 2.70 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 Q 8.71 4.17 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.57 2.43 0.00 179 D 8.16 4.44 0.00 2.85 2.67 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 0.00 0.00 0.00 0.00 180 L 8.04 3.87 0.00 1.84 1.89 0.83 0.25 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 0.00 181 L 7.80 3.86 0.00 1.79 1.79 0.84 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 182 R 7.77 3.91 0.00 1.79 1.92 0.00 3.18 0.00 0.00 3.19 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.88 0.00 183 A 7.79 4.08 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 184 A 7.93 3.96 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 0.00 185 I 6.85 3.54 0.56 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.55 0.13 0.00 0.00 186 A 7.48 4.07 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 0.00 187 G 7.72 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 188 E 9.09 4.14 0.00 2.00 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 2.23 1.92 0.00 189 K 8.08 4.70 0.00 1.80 1.77 0.00 1.70 0.00 0.00 1.74 0.00 0.00 2.75 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.15 7.81 190 F 8.63 4.21 0.00 3.34 3.23 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 0.00 191 A 8.44 4.17 1.67 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 0.00 0.00 0.00 0.00 0.00 0.00 192 E 8.17 3.95 0.00 2.01 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 0.00 2.30 2.42 0.00 193 L 7.63 4.29 0.00 1.21 1.47 0.25 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 194 F 8.11 4.06 0.00 2.07 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 0.00 0.00 0.00 0.00 195 Y 7.43 4.03 0.00 3.21 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 0.00 196 P 0.00 4.39 0.00 2.03 2.12 0.00 3.55 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.15 0.00 197 N 7.27 4.67 0.00 2.71 2.64 0.00 0.00 6.47 7.54 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 0.00 198 C 7.47 4.14 0.00 1.56 2.39 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 0.00 199 K 8.89 4.33 0.00 1.76 1.77 0.00 1.67 0.00 0.00 1.61 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.40 7.81 200 D 7.53 4.78 0.00 2.68 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 D 8.59 4.44 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 202 A 8.14 4.13 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 0.00 203 I 8.31 3.85 2.19 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.80 1.11 0.00 0.00 204 A 8.23 4.57 1.69 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 0.00 0.00 205 N 8.96 4.35 0.00 2.86 2.94 0.00 0.00 6.70 7.35 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 0.00 206 Y 8.01 4.01 0.00 3.12 3.19 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 0.00 0.00 0.00 207 L 8.35 4.15 0.00 2.24 1.89 0.76 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 208 R 8.63 4.07 0.00 1.85 1.94 0.00 3.05 0.00 0.00 3.06 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.90 0.00 209 S 7.76 4.23 0.00 3.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 210 L 7.46 4.13 0.00 1.72 1.53 0.89 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.