NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 16 I 4.0349 7.8827 121.4477 61.1363 38.1074 174.0492 17 V 4.0875 7.8009 125.8120 61.8222 31.7385 173.9103 18 G 3.8123 9.1824 116.6374 46.4143 0.0000 172.0729 19 G 4.4497 7.8476 108.7315 44.2580 0.0000 171.8226 20 Y 5.0508 7.7493 117.5740 55.4226 41.8824 174.3214 21 T 4.8267 8.4569 115.7055 62.2716 69.6064 176.2050 22 C 4.7260 8.3883 123.9341 56.7409 36.6117 174.0339 23 Q 4.1982 8.6752 120.7046 55.3972 29.0752 175.5551 24 E 3.8789 8.4431 122.2949 58.3500 29.9498 176.6873 25 N 4.6583 9.0484 123.4837 52.9657 36.2487 176.2307 26 S 4.2474 7.7824 112.5986 60.1352 63.8872 174.7317 27 V 3.9569 7.1248 120.1124 60.4018 30.6235 173.8395 28 P 4.3687 0.0000 0.0000 65.3433 32.1795 178.4196 29 Y 4.9064 7.4867 114.3979 57.9652 38.3725 174.6603 30 Q 4.7024 7.0977 123.5973 56.0152 29.2196 175.3464 31 V 4.8103 8.6554 118.8600 59.5996 36.1959 174.2014 32 S 5.0858 8.5726 115.8493 56.6135 65.1658 172.6051 33 L 4.5230 8.5546 127.7834 53.7792 42.9379 175.3390 34 N 5.7547 8.9175 121.4050 49.9890 42.8610 174.3640 *37 S 4.1758 8.3022 117.0639 58.3192 64.0337 174.6056 38 G 3.9861 9.0786 107.2415 45.7279 0.0000 172.5715 39 Y 4.5374 6.7711 115.5073 56.2154 40.7749 172.7371 40 H 4.5231 9.1873 122.8513 56.4063 30.2665 174.5915 41 F 4.9200 8.0175 121.6279 57.6949 39.8820 174.1237 42 C 4.6567 6.3456 116.4120 55.6549 44.3338 171.6987 43 G 4.0468 7.8032 109.2568 45.7008 0.0000 171.5660 44 G 3.9760 7.0765 104.1008 45.8695 0.0000 172.2234 45 S 5.7108 8.3969 114.0896 55.5592 66.5527 173.5426 46 L 4.7420 8.7446 127.3603 54.6318 42.0871 176.7527 47 I 4.4142 8.6160 119.3160 60.2596 38.9905 174.8298 48 N 4.6499 7.7000 117.1595 51.9678 39.3253 174.8199 49 D 4.5782 8.5823 117.7830 55.6247 39.5191 177.4462 50 Q 4.7261 8.9691 118.8673 56.1702 32.3478 173.3608 51 W 5.6084 8.6944 117.5955 55.1875 33.2901 174.0782 52 V 4.9419 9.2676 125.6643 61.0821 33.5866 174.5171 53 V 4.8872 9.2975 128.1066 60.4749 33.9552 174.9173 54 S 4.3624 9.2775 117.7461 57.6268 65.5829 172.2102 55 A 5.0020 8.7142 119.5124 50.0916 20.3481 178.5041 56 A 3.8435 8.0857 123.4990 54.9502 18.5464 179.2662 57 H 4.6509 7.9977 109.4503 57.3146 28.8638 175.0931 58 C 4.8059 7.4617 116.5811 57.0779 40.0467 172.8942 59 Y 4.2370 7.5297 122.1282 57.4983 38.2291 175.4851 60 K 4.2873 7.1970 125.0481 54.5295 36.1702 177.3569 61 S 3.9576 8.3491 117.2685 60.0352 63.2606 174.0866 62 R 4.4039 7.1612 121.2672 54.4469 32.0879 174.0750 63 I 4.8130 8.0527 125.2785 59.6648 41.8957 173.7779 64 Q 4.7392 8.9815 128.3759 54.1329 31.3840 174.4825 65 V 4.1882 9.2692 128.4735 62.7333 33.1846 174.9317 66 R 5.1683 9.3237 127.6703 54.8386 31.7907 174.7896 67 L 4.7688 8.7959 124.5637 52.9693 44.3241 178.2003 *69 G 3.9099 8.6090 109.3609 44.8713 0.0000 173.0770 70 E 4.1691 8.0833 119.5880 56.6736 29.9750 174.4694 71 H 4.9364 8.5497 119.3684 56.6000 32.2319 172.2136 72 N 5.2002 8.0089 119.5632 51.6695 39.6781 174.9333 73 I 3.5010 8.6311 128.3354 64.3260 37.2611 176.8626 74 N 4.7487 7.7112 116.4153 53.0314 38.8391 175.2398 75 V 4.0630 7.0866 113.7529 61.2525 33.2873 171.1830 76 L 4.4729 8.5587 124.2654 53.9439 41.9841 176.0117 77 E 4.2431 8.7029 126.1539 56.6706 29.9426 176.9774 78 G 4.0326 8.5564 106.9590 45.2979 0.0000 174.0801 79 N 4.5789 7.6905 113.8922 52.9751 38.0243 174.7849 80 E 4.3453 7.6528 118.5165 56.6960 31.0613 176.6611 81 Q 4.1372 9.2888 119.2717 54.4273 32.1398 174.5228 82 F 5.4448 8.3273 123.6963 56.4632 39.8634 175.7240 83 V 4.5246 9.1134 124.2782 60.8804 34.9422 174.0290 84 N 4.8740 8.6089 124.4035 52.8714 40.7423 174.1046 85 A 4.4351 8.3463 127.3493 51.3361 17.7896 177.4305 86 A 4.0654 8.7435 123.3651 55.3827 19.0482 177.7375 87 K 4.5797 7.7811 114.0481 54.6298 35.7375 175.4146 88 I 4.9440 8.5149 124.1395 59.8402 39.9285 174.9819 89 I 4.4174 9.3356 129.9020 59.4502 38.5050 175.6853 90 K 4.6601 8.5238 126.5492 55.3707 33.6305 176.8779 91 H 4.1952 8.7463 122.6803 55.8266 30.4132 174.6255 92 P 4.2703 0.0000 0.0000 65.5436 31.2516 176.8024 93 N 4.8630 7.9687 112.9639 52.8718 38.7784 174.4111 94 F 4.6706 8.1051 121.6588 58.1559 39.9000 173.8953 95 D 4.4644 8.2001 127.9696 52.4052 42.2300 177.4007 96 R 3.6722 8.0021 125.0815 58.0476 30.3610 177.3394 97 K 4.4062 8.1687 115.6857 56.3351 33.0289 176.8969 98 T 4.3564 7.5018 106.8905 60.3435 70.6490 174.4875 99 L 3.9512 7.7703 120.0216 55.5614 39.7216 173.9539 100 N 4.5470 7.7853 117.2882 54.4065 39.4980 174.4336 101 N 4.0888 8.6354 119.1509 54.6382 36.2877 175.1870 102 D 4.5876 7.9226 116.1742 52.9350 40.1898 174.0744 103 I 4.9051 7.0714 121.0679 59.4168 42.4416 173.6288 104 M 5.3162 9.5125 128.0685 53.7941 36.0753 173.5757 105 L 5.3183 9.1681 124.7384 53.1584 44.8886 175.4066 106 I 4.9058 9.3205 124.0374 59.4088 40.6718 174.1988 107 K 3.6612 8.5058 129.2468 54.2398 33.8047 175.6287 108 L 4.6084 8.4488 128.6777 54.4221 42.1802 178.2892 109 S 4.3480 9.1998 119.3211 61.2749 63.1438 174.7044 110 S 4.6009 7.4413 111.4712 55.9948 65.6877 172.3689 111 P 4.5963 0.0000 0.0000 63.1699 31.6873 176.1688 112 V 4.4095 8.2523 116.4375 59.6064 33.7400 176.0220 113 K 4.1048 8.5443 123.0282 56.5208 32.6800 177.6615 114 L 4.9871 8.4583 124.7671 52.9814 41.2847 176.2649 115 N 4.8232 8.1919 126.3709 52.8342 39.6564 175.5861 116 A 4.5327 8.5650 123.8964 53.3762 19.7242 177.8220 117 R 4.8025 7.7554 112.9288 55.1948 32.2848 176.1912 118 V 4.3441 7.6435 116.1341 60.9224 33.1383 173.4093 119 A 5.3261 8.2642 127.4490 50.1854 23.0302 174.0995 120 T 5.0660 8.4192 108.9220 60.2214 70.8949 174.6382 121 V 4.0743 8.8042 124.9759 61.8963 33.3448 174.9634 122 A 4.4798 8.2235 128.0003 51.2323 19.6587 177.5920 123 L 4.3201 8.0544 120.7157 53.1726 42.7482 175.3797 124 P 4.3387 0.0000 0.0000 63.0024 31.6786 176.8392 125 S 4.4841 8.4986 115.5468 58.4193 64.4019 173.8424 *127 S 4.2255 7.5746 114.2679 58.4711 63.6485 174.4549 128 C 4.4735 8.4864 119.5274 55.2762 39.3853 173.5212 129 A 4.1240 8.3556 127.6953 51.8561 18.5405 175.5427 130 P 4.3358 0.0000 0.0000 61.9057 32.4610 175.3389 *132 A 4.1851 8.2048 121.7429 53.6606 19.2828 177.3107 133 G 3.9898 9.3612 111.7142 45.0107 0.0000 173.9834 134 T 4.0156 7.6178 118.0063 63.5519 69.4337 173.7719 135 Q 4.4650 8.7260 126.2648 56.1150 29.3780 176.2289 136 C 5.1480 8.9050 120.4772 54.9473 44.9097 172.5764 137 L 5.1739 8.5243 122.6970 53.5534 43.6666 175.3527 138 I 4.6718 9.0875 127.8577 59.5205 39.5482 174.9485 139 S 5.0139 9.0278 120.8586 56.0336 66.5047 173.2142 140 G 3.8388 7.3877 108.5403 46.3647 0.0000 173.1611 141 W 4.5727 8.6056 117.2101 56.1419 29.3394 177.0404 142 G 3.9728 7.7960 108.6885 44.4923 0.0000 172.9897 143 N 4.5711 8.6611 117.5935 54.3538 39.1498 174.6591 144 T 4.9901 8.3995 112.2290 60.6841 70.0837 173.8357 145 L 4.7596 7.8773 122.6500 52.9747 43.6437 176.6670 146 S 4.2150 8.6954 117.7857 60.1730 63.5287 173.8840 147 S 4.3575 8.0343 114.3434 59.8308 63.5784 170.9351 148 G 3.7661 8.5239 113.9644 43.8995 0.0000 171.3764 149 V 4.6525 8.0130 117.5757 61.2831 34.9605 175.4344 150 N 4.7196 10.4140 127.6294 52.9191 42.0241 172.8119 151 E 4.7671 8.7467 127.1042 54.4083 30.4933 174.8860 152 P 4.4959 0.0000 0.0000 62.5501 32.5929 176.5290 153 D 4.5108 8.9160 122.4000 57.1595 41.2388 176.5125 154 L 5.8646 7.5014 116.3334 52.1881 43.9743 176.3784 155 L 2.9605 8.5619 123.0703 55.3881 43.2807 175.6085 156 Q 4.8849 8.0077 123.7330 54.3565 31.7102 174.0003 157 C 5.2139 8.3255 119.2782 55.1236 40.6747 172.8714 158 L 4.8979 8.2689 121.9309 54.0207 45.6015 174.1756 159 D 5.4155 9.1056 126.3140 53.3457 41.8878 175.7627 160 A 4.6058 9.1054 125.7056 49.6174 22.9441 173.6339 161 P 4.8719 0.0000 0.0000 61.9399 33.4789 175.3583 162 L 4.5167 8.3084 122.4142 54.5436 42.6094 176.6427 163 L 4.6845 8.7085 124.5324 52.8292 43.3110 175.2532 164 P 4.3324 0.0000 0.0000 62.6012 32.0161 177.6981 165 Q 4.0033 8.7273 121.9946 58.8944 28.7559 178.6117 166 A 4.0199 7.9239 121.7423 55.2056 18.5788 178.9802 167 D 4.3534 7.9128 116.8279 56.9761 40.8687 179.4522 168 C 4.3406 8.2819 119.3148 59.9193 43.5290 175.5916 169 E 3.8795 8.4242 118.8696 59.2020 29.0645 178.9121 170 A 4.1362 7.6259 120.4548 55.0258 18.4699 179.5333 171 S 4.1690 7.7440 112.6829 60.4508 64.3615 174.5456 172 Y 4.7590 7.6140 118.8147 55.0418 38.9369 170.7695 173 P 4.4722 0.0000 0.0000 63.8900 31.9613 177.3262 174 G 4.0095 8.9859 111.4375 45.5995 0.0000 173.7903 175 K 4.2962 7.7943 117.2834 56.7246 32.9282 176.5594 176 I 4.3087 7.6390 120.0952 59.8150 38.5988 174.8129 177 T 4.6774 7.9667 113.7251 59.4413 71.4532 174.2624 178 D 4.5383 8.5865 119.8506 56.1833 40.7183 176.9865 179 N 4.7483 7.8735 115.2536 53.2329 39.3344 174.5679 180 M 4.7975 7.6190 118.0446 53.5511 34.7138 175.5782 181 V 4.5106 7.8129 119.3057 60.7747 34.6715 174.3860 182 C 4.6783 8.8890 122.3113 56.1921 41.7781 172.5451 183 V 4.6472 9.4894 123.2742 59.7924 33.3795 175.4462 184 G 3.5958 7.7894 115.7343 45.8288 0.0000 172.3543 *1184 F 4.9077 8.2058 121.1920 57.9506 39.3385 174.7254 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 16 I 7.88 4.03 1.77 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 1.20 0.74 0.90 0.00 0.00 17 V 7.80 4.09 2.11 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 1.08 0.00 0.00 0.97 0.00 0.00 18 G 9.18 3.81 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 0.00 0.00 0.00 19 G 7.85 4.45 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 0.00 20 Y 7.75 5.05 0.00 2.98 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 T 8.46 4.83 4.31 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 1.30 0.00 0.00 22 C 8.39 4.73 0.00 2.81 2.98 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 23 Q 8.68 4.20 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.89 7.07 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 24 E 8.44 3.88 0.00 1.67 1.79 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 2.21 2.17 0.00 25 N 9.05 4.66 0.00 2.88 3.28 0.00 0.00 6.87 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 26 S 7.78 4.25 0.00 4.04 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 27 V 7.12 3.96 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 0.16 0.00 0.00 0.75 0.00 0.00 28 P 0.00 4.37 0.00 2.28 2.10 0.00 3.68 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 2.15 2.27 0.00 29 Y 7.49 4.91 0.00 3.21 3.24 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 0.00 30 Q 7.10 4.70 0.00 1.72 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.73 0.00 0.00 0.00 0.00 0.00 2.01 2.54 0.00 31 V 8.66 4.81 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.99 0.00 0.00 32 S 8.57 5.09 0.00 3.59 3.57 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 33 L 8.55 4.52 0.00 0.27 0.79 0.73 0.15 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 34 N 8.92 5.75 0.00 2.61 2.52 0.00 0.00 6.78 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 *37 S 8.30 4.18 0.00 3.79 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 0.00 0.00 0.00 0.00 0.00 38 G 9.08 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 39 Y 6.77 4.54 0.00 3.26 2.98 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 40 H 9.19 4.52 0.00 2.99 3.28 0.00 5.67 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 F 8.02 4.92 0.00 3.16 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 42 C 6.35 4.66 0.00 2.28 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 43 G 7.80 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 0.00 0.00 0.00 44 G 7.08 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 45 S 8.40 5.71 0.00 3.86 3.80 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 46 L 8.74 4.74 0.00 1.81 1.80 1.05 1.05 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 47 I 8.62 4.41 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.27 0.98 0.00 0.00 48 N 7.70 4.65 0.00 2.98 2.96 0.00 0.00 5.99 8.07 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 49 D 8.58 4.58 0.00 3.11 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 50 Q 8.97 4.73 0.00 2.12 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.93 6.80 0.00 0.00 0.00 0.00 0.00 2.07 2.40 0.00 51 W 8.69 5.61 0.00 3.42 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 52 V 9.27 4.94 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.97 0.00 0.00 53 V 9.30 4.89 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 1.02 0.00 0.00 54 S 9.28 4.36 0.00 3.81 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.71 5.00 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 56 A 8.09 3.84 0.23 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 57 H 8.00 4.65 0.00 3.52 3.70 0.00 5.55 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 C 7.46 4.81 0.00 3.19 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 59 Y 7.53 4.24 0.00 3.03 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 60 K 7.20 4.29 0.00 1.42 1.34 0.00 0.61 0.00 0.00 1.18 0.00 0.00 2.50 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 0.88 7.81 61 S 8.35 3.96 0.00 3.95 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 R 7.16 4.40 0.00 1.84 1.70 0.00 3.14 0.00 0.00 3.13 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.51 0.00 63 I 8.05 4.81 1.83 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 1.38 0.78 0.94 0.00 0.00 64 Q 8.98 4.74 0.00 2.01 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.02 0.00 0.00 0.00 0.00 0.00 2.17 2.23 0.00 65 V 9.27 4.19 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.89 0.00 0.00 66 R 9.32 5.17 0.00 1.59 1.87 0.00 2.78 0.00 0.00 2.71 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.48 0.00 67 L 8.80 4.77 0.00 1.68 1.61 1.05 0.77 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 *69 G 8.61 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 70 E 8.08 4.17 0.00 1.95 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 2.32 1.95 0.00 71 H 8.55 4.94 0.00 3.22 3.39 0.00 5.57 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.01 5.20 0.00 2.75 2.81 0.00 0.00 7.41 7.82 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 73 I 8.63 3.50 1.40 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 0.65 0.00 0.00 74 N 7.71 4.75 0.00 2.81 2.81 0.00 0.00 6.76 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 75 V 7.09 4.06 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 0.65 0.00 0.00 0.94 0.00 0.00 76 L 8.56 4.47 0.00 1.69 1.66 1.08 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.70 4.24 0.00 2.14 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 2.33 2.27 0.00 78 G 8.56 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 0.00 0.00 0.00 79 N 7.69 4.58 0.00 2.82 2.92 0.00 0.00 6.06 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 80 E 7.65 4.35 0.00 1.43 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 2.66 2.43 0.00 81 Q 9.29 4.14 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.87 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 82 F 8.33 5.44 0.00 2.88 2.85 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 83 V 9.11 4.52 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 0.91 0.00 0.00 0.94 0.00 0.00 84 N 8.61 4.87 0.00 2.82 2.62 0.00 0.00 7.00 8.15 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 85 A 8.35 4.44 1.24 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 0.00 0.00 0.00 86 A 8.74 4.07 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 87 K 7.78 4.58 0.00 1.46 1.69 0.00 1.62 0.00 0.00 1.90 0.00 0.00 2.85 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.40 1.35 7.81 88 I 8.51 4.94 2.09 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 1.08 0.00 0.00 89 I 9.34 4.42 2.05 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.87 0.97 0.00 0.00 90 K 8.52 4.66 0.00 1.64 1.65 0.00 1.77 0.00 0.00 1.36 0.00 0.00 2.48 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.45 1.36 7.81 91 H 8.75 4.20 0.00 3.32 3.39 0.00 5.60 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 P 0.00 4.27 0.00 2.00 2.08 0.00 3.12 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 93 N 7.97 4.86 0.00 2.97 2.90 0.00 0.00 6.85 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 94 F 8.11 4.67 0.00 3.18 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 95 D 8.20 4.46 0.00 2.60 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 0.00 0.00 0.00 0.00 96 R 8.00 3.67 0.00 1.66 1.89 0.00 3.59 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.56 0.00 97 K 8.17 4.41 0.00 1.66 1.80 0.00 1.64 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.32 1.45 7.81 98 T 7.50 4.36 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 99 L 7.77 3.95 0.00 1.88 1.95 0.89 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.79 4.55 0.00 2.75 2.67 0.00 0.00 7.24 6.60 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 0.00 101 N 8.64 4.09 0.00 3.19 2.91 0.00 0.00 6.93 8.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 D 7.92 4.59 0.00 3.20 2.63 0.00 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0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 146 S 8.70 4.21 0.00 4.00 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 S 8.03 4.36 0.00 3.81 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.52 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 V 8.01 4.65 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 0.83 0.00 0.00 0.95 0.00 0.00 150 N 10.41 4.72 0.00 2.78 2.64 0.00 0.00 6.86 7.53 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 0.00 151 E 8.75 4.77 0.00 1.93 1.95 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 2.29 2.30 0.00 152 P 0.00 4.50 0.00 2.14 2.01 0.00 3.97 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 2.13 2.13 0.00 153 D 8.92 4.51 0.00 2.74 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 0.00 154 L 7.50 5.86 0.00 1.55 1.60 0.94 0.93 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 0.00 155 L 8.56 2.96 0.00 0.94 1.21 -0.54 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 156 Q 8.01 4.88 0.00 1.94 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.44 0.00 0.00 0.00 0.00 0.00 2.14 2.37 0.00 157 C 8.33 5.21 0.00 1.51 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 0.00 158 L 8.27 4.90 0.00 1.68 1.57 1.03 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 159 D 9.11 5.42 0.00 2.78 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 0.00 160 A 9.11 4.61 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 P 0.00 4.87 0.00 1.94 1.90 0.00 3.07 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.25 0.00 162 L 8.31 4.52 0.00 1.60 1.56 0.95 0.67 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 0.00 163 L 8.71 4.68 0.00 1.56 1.57 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 164 P 0.00 4.33 0.00 2.17 1.96 0.00 3.73 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 165 Q 8.73 4.00 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.62 0.00 166 A 7.92 4.02 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 167 D 7.91 4.35 0.00 2.83 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 C 8.28 4.34 0.00 3.14 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 169 E 8.42 3.88 0.00 1.98 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 2.38 2.59 0.00 170 A 7.63 4.14 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 0.00 171 S 7.74 4.17 0.00 3.85 3.34 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 0.00 172 Y 7.61 4.76 0.00 2.93 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 0.00 173 P 0.00 4.47 0.00 2.06 2.03 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.21 0.00 174 G 8.99 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 0.00 0.00 0.00 175 K 7.79 4.30 0.00 2.00 1.85 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.65 7.81 176 I 7.64 4.31 1.91 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 1.74 0.93 0.95 0.00 0.00 177 T 7.97 4.68 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 1.21 0.00 0.00 178 D 8.59 4.54 0.00 2.69 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 0.00 179 N 7.87 4.75 0.00 2.89 2.83 0.00 0.00 6.79 6.94 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 0.00 180 M 7.62 4.80 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.42 0.00 181 V 7.81 4.51 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 0.65 0.00 0.00 0.92 0.00 0.00 182 C 8.89 4.68 0.00 2.93 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 0.00 183 V 9.49 4.65 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.90 0.00 0.00 184 G 7.79 3.60 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 0.00 0.00 0.00 *1184 F 8.21 4.91 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.