NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 I 4.1465 8.0244 114.4121 61.0407 38.4492 175.0628 24 E 4.1737 8.8860 126.9585 58.0860 30.9880 173.8910 25 S 5.7371 8.0255 113.1092 56.7765 68.0685 173.0638 26 N 4.8265 8.8330 115.0595 52.8909 37.3596 174.3577 27 W 4.6678 8.2355 125.7375 58.7645 33.2127 174.1881 28 N 4.1709 8.0015 126.2107 52.1244 35.8797 173.5561 29 E 3.9756 7.6669 125.3618 56.0195 30.4935 176.0069 30 I 4.7974 8.1348 126.0108 59.3505 40.1648 175.3187 31 V 4.3797 8.2449 122.0552 60.1378 33.3607 175.7574 32 D 4.7131 8.7322 122.9409 52.9137 40.4898 176.0141 33 S 4.5615 7.4201 114.7644 56.2936 65.2812 174.4485 34 F 4.4566 8.7685 125.9545 60.7846 38.8822 176.4945 35 D 4.6116 8.4335 119.2419 56.8106 40.7404 176.5603 36 D 4.9490 7.8081 117.2887 54.4864 40.9619 176.6407 37 M 4.5779 8.0108 115.8758 54.3181 33.2758 175.4198 38 N 4.1764 7.9899 114.6108 54.2724 36.0782 173.9099 39 L 4.7306 7.4946 116.0524 53.1232 44.1469 178.1092 40 S 4.3169 8.9847 117.1403 58.1630 64.7719 175.2522 41 E 3.8733 8.6761 123.4484 59.6970 29.4755 178.9554 42 S 4.1176 8.1479 114.7467 61.7943 62.8151 176.4974 43 L 3.8861 7.9192 122.3285 58.2198 41.7677 178.8779 44 L 3.5060 7.8153 118.7663 57.6457 41.5539 179.2940 45 R 3.9213 8.1999 118.9690 59.5835 29.8732 178.7467 46 G 3.9459 8.0860 106.5635 47.3372 0.0000 175.7795 47 I 3.4988 7.7694 122.4487 64.3609 37.1862 178.2405 48 Y 4.6328 7.8591 117.6542 61.1653 37.4553 178.4583 49 A 4.1320 8.1629 120.9169 55.1748 18.5515 178.7209 50 Y 3.7936 7.7909 117.6571 59.5736 38.8010 176.8392 51 G 4.0505 7.4813 105.0437 45.1555 0.0000 173.3788 52 F 5.1146 7.8602 119.4012 56.9127 39.1042 175.6289 53 E 4.5102 9.1258 125.3477 56.7086 30.2060 174.6776 *55 P 3.9341 0.0000 0.0000 61.9283 32.2734 177.0551 56 S 4.3701 8.2827 115.8603 57.3594 65.2409 175.1934 57 A 3.9192 8.3876 122.5927 55.6106 17.9100 179.5758 58 I 3.6565 7.6974 116.3673 64.3451 37.5629 177.9504 59 Q 3.9951 7.7144 118.3863 58.9069 28.5377 178.5589 60 Q 4.3483 8.2257 120.7333 58.1943 28.4359 179.0156 61 R 4.0754 7.6726 117.9077 58.8360 30.7950 178.1598 62 A 4.3866 8.2568 119.9704 53.8089 19.1666 179.5541 63 I 3.7012 7.3133 119.2973 64.0388 36.9977 178.1593 64 L 3.9985 7.9839 117.9716 57.5270 41.8525 177.1918 65 P 4.0709 0.0000 0.0000 66.1834 30.6390 177.9679 66 C 4.1171 7.7417 115.2282 62.4818 28.2158 178.2489 67 I 3.9462 7.6821 119.9139 61.1173 36.7904 177.0894 *69 G 3.8517 7.8765 106.0622 44.9488 0.0000 173.4527 70 Y 4.5703 7.3655 117.1612 57.2913 38.6953 175.4101 71 D 4.7830 8.6551 122.9791 54.6793 42.3260 175.4245 72 V 4.7264 8.5520 122.1992 61.1746 34.9436 173.9669 73 I 4.8125 9.3684 129.5589 59.7203 39.1597 174.3569 74 A 5.0842 9.4171 129.8988 50.0295 21.8469 174.3921 75 Q 5.1716 9.2730 124.4395 53.9505 30.7511 174.2170 76 A 4.8919 8.1723 126.5749 50.9634 22.8966 175.7561 77 Q 4.2337 8.6377 119.9236 54.8212 29.9677 175.8367 78 S 4.1627 8.3321 115.4482 60.6018 63.0888 175.3244 79 G 3.9940 9.0416 112.4391 45.7330 0.0000 174.1050 80 T 3.9404 7.1797 109.7616 61.9977 69.3720 175.2097 81 G 3.8647 8.0852 111.0187 46.3719 0.0000 174.0484 *83 T 3.3546 8.5397 121.8894 62.8111 70.6063 176.9486 84 A 3.7442 7.5048 122.1702 55.0132 17.7225 179.3718 85 T 3.7743 7.2635 113.4425 67.0173 68.5451 176.5175 86 F 4.4433 7.6703 115.1444 59.1632 38.2225 177.5054 87 A 3.9470 7.5597 122.0773 55.1449 18.1787 179.6327 88 I 3.5858 7.6889 118.3349 64.4523 37.0176 178.9260 89 S 4.1139 7.7560 115.0488 61.6298 62.7785 176.5491 90 I 3.8149 8.0183 122.6486 64.6050 36.9438 178.3116 91 L 3.9766 8.1048 119.6900 58.0805 41.2620 179.5544 92 Q 3.9817 8.0291 118.3867 58.7697 29.0767 177.0005 93 Q 4.2471 7.6674 115.9454 56.9241 29.4831 176.2572 94 I 3.9747 7.0694 112.1561 60.6994 38.3344 175.6150 95 E 4.3960 9.0395 122.9999 54.7260 29.4567 176.8641 96 L 3.7291 8.6028 124.8552 58.0249 41.6994 178.9581 97 D 4.4356 7.9485 114.8549 55.5960 41.0559 175.9852 98 L 4.1249 7.2084 120.9796 53.4079 43.9241 174.9992 *100 A 4.0201 8.0605 120.3147 51.9269 19.3383 176.1184 101 T 4.9230 8.3392 117.2681 63.4693 69.0713 174.5625 102 Q 5.5110 9.7545 124.2297 54.9213 31.5086 175.1171 103 A 5.0811 7.7587 120.0612 50.4252 23.2196 174.7538 104 L 5.2373 9.4166 122.8010 53.2914 45.7531 175.2416 105 V 4.7218 8.9192 126.0894 61.0852 34.2355 173.9957 106 L 5.2384 9.1510 128.0913 53.2125 44.2024 175.4070 107 A 5.2607 8.7130 123.5270 49.5373 22.5600 175.3692 108 P 4.5279 0.0000 0.0000 64.7052 32.2911 177.0367 109 T 4.8466 7.4981 109.0796 58.8211 73.1552 174.5789 110 R 3.9458 8.5873 119.2750 59.5992 29.4127 178.6746 111 E 3.9474 8.2123 118.7953 59.1932 29.4856 179.0102 112 L 3.9988 8.1749 119.9693 58.0933 42.0886 178.7938 113 A 4.0244 8.0963 120.7861 55.3084 18.1084 179.4552 114 Q 3.9083 8.3313 117.4942 59.2028 29.1775 177.8017 115 Q 4.1377 8.0644 120.0319 59.0688 29.3600 177.9239 116 I 3.9543 8.2060 121.2879 64.2903 37.1930 178.5598 117 Q 4.0759 8.1147 119.7839 56.7708 29.5930 178.6724 *119 V 4.1370 7.7433 118.3527 62.5300 33.4992 177.2940 120 V 3.5683 7.9381 118.8366 66.6404 31.0240 177.9920 121 M 4.0617 7.9543 116.4696 57.9665 31.5665 178.5032 122 A 4.0905 7.8908 120.6494 55.2755 18.6196 179.6116 123 L 4.1254 8.5189 117.9707 57.0085 41.5589 178.9296 124 G 4.0563 7.9582 104.3573 44.4856 0.0000 174.9513 125 D 4.1879 7.4865 122.0191 56.9483 41.2001 176.8921 126 Y 4.4521 7.6305 113.5602 58.7883 38.3716 175.6960 127 M 4.2460 7.9753 119.1981 54.8595 32.8381 176.4608 128 G 3.8158 8.1318 105.5664 46.3296 0.0000 173.4837 129 A 4.2969 8.1063 122.1572 51.5124 19.6139 177.7521 130 S 4.8832 8.6647 116.6287 56.9341 65.7212 172.6856 131 C 5.3074 8.5317 122.1083 58.1008 34.4335 172.2011 132 H 4.9861 9.2788 125.4533 54.2621 32.7212 171.8499 133 A 5.1455 8.5188 126.8610 51.0087 20.4912 176.1254 134 C 4.5540 9.4591 121.8431 58.1132 29.4854 174.2027 135 I 4.7418 8.2758 121.5341 60.5656 39.3992 174.7652 136 G 4.4727 8.0353 108.9911 43.9852 0.0000 172.7649 137 G 3.9122 8.7618 106.3927 45.9490 0.0000 173.5182 138 T 4.6190 7.6278 108.3554 59.8806 71.3880 173.6552 139 N 4.3320 8.6563 117.8225 53.4230 39.4969 172.9751 140 V 3.1842 7.8460 123.2894 62.3216 29.6687 172.3836 141 R 3.8586 8.2819 124.8985 59.0715 29.0468 178.4563 142 A 3.9358 7.8182 120.3907 54.7915 18.5022 178.6715 143 E 4.0493 8.0019 116.8674 59.1997 30.2437 178.6160 144 V 3.6201 7.6404 118.1266 65.3017 31.7855 177.1385 145 Q 4.3590 8.2267 118.9640 55.9151 28.7713 178.3181 *147 L 4.1820 7.8582 120.6108 55.1274 43.4920 178.8054 148 Q 4.1052 7.3145 115.3250 59.2998 29.3142 177.7812 149 M 4.2340 7.5501 118.0650 53.4612 29.5432 176.1185 150 E 4.0595 8.1584 117.5751 56.2137 30.0147 174.4689 151 A 4.1625 8.3005 129.8499 51.0140 18.9155 175.2866 152 P 4.4298 0.0000 0.0000 62.8298 32.4688 177.2952 153 H 4.6283 8.8433 118.5773 58.0006 29.9253 175.7036 154 I 5.0271 8.0150 118.1973 59.4428 40.6631 174.7616 155 I 5.1697 8.7417 127.4702 59.4215 40.0663 174.9689 156 V 4.8646 8.5723 126.0193 60.1412 34.6315 174.9547 157 G 4.4950 8.6467 109.0349 46.7766 0.0000 172.0407 158 T 5.1573 7.8169 109.4267 59.4892 70.3272 174.4802 159 P 4.2989 0.0000 0.0000 65.6769 31.3238 179.3548 160 G 3.7475 7.6657 104.2168 47.6981 0.0000 175.7468 161 R 3.9712 7.9005 120.7557 59.1275 30.3220 178.5090 162 V 3.5858 7.7719 118.1122 65.9670 31.5367 177.4760 163 F 3.9887 8.2821 120.3980 61.6516 39.2515 176.7100 164 D 4.2761 8.1889 116.7576 57.3213 40.9735 178.0989 165 M 4.2682 8.0822 119.5440 58.0373 31.8225 178.7227 166 L 4.1946 7.6420 120.4521 57.4295 41.6646 178.9526 167 N 3.9349 7.4375 115.7996 56.3169 38.7448 175.5516 168 R 3.9595 7.7368 114.9385 55.4162 30.2033 177.1418 169 R 4.1753 7.7021 115.8440 57.3451 27.9882 177.0574 170 Y 4.4766 7.0354 118.1587 59.5240 38.3024 175.8027 171 L 4.6397 8.2962 122.4888 52.9500 43.9881 174.7067 172 S 4.6482 8.5151 120.7776 56.3278 63.7914 172.7995 173 P 4.3555 0.0000 0.0000 61.9633 29.8781 175.7433 *175 Y 4.3687 7.8134 120.7118 58.2330 39.8427 175.1684 176 I 4.5966 7.4064 120.3194 60.0870 38.4224 174.9519 *178 M 4.5242 8.2029 121.4387 55.5794 33.9147 173.8020 179 F 5.5983 9.2332 127.5685 56.6896 42.5619 173.3168 180 V 4.5333 8.8988 127.0573 60.9788 33.9601 174.3677 181 L 4.3802 8.3595 128.1376 53.0172 43.1335 174.4457 182 D 4.6185 8.6504 124.3948 53.1698 42.5178 176.2097 183 E 3.7544 8.7032 123.9648 57.0154 27.3846 175.8799 184 A 3.9903 7.9510 122.3439 55.2944 18.7900 179.0223 185 D 4.3148 8.0562 117.5043 56.9747 39.3173 178.8739 186 E 4.0157 8.1843 119.6862 59.2514 29.4992 179.1568 187 M 4.4201 8.1496 118.7218 58.4922 32.0227 178.8630 188 L 4.1178 8.1196 119.5230 57.6682 41.6158 179.4828 189 S 4.3112 8.0562 112.8723 60.4923 63.1188 175.5677 190 R 4.2832 7.8135 120.8001 55.7382 29.8384 176.8660 191 G 3.7047 7.6042 106.3509 45.9677 0.0000 175.2865 192 F 5.2494 7.5664 120.3161 55.5062 37.6843 175.7014 *194 D 4.6051 8.1797 124.3167 54.2456 43.0248 178.3089 195 Q 3.8922 8.0445 117.5181 58.6771 28.7114 178.5988 196 I 4.0274 8.1977 120.9729 64.8153 37.2947 177.9898 197 Y 4.3321 8.5561 117.0812 61.4985 37.5564 178.4915 198 D 4.5980 8.6375 119.0840 57.1155 40.9112 178.7681 199 I 3.9540 7.8501 119.9953 64.3081 37.2725 177.5197 200 F 3.5747 7.8917 120.0187 61.0893 39.0871 176.5477 201 Q 3.5622 7.6120 119.0307 56.9224 29.7353 176.7832 *203 L 3.8817 7.7084 113.9495 53.3774 42.7237 176.5552 204 N 4.2532 8.0980 117.3507 53.3029 39.0787 175.1081 205 S 3.9227 8.3349 116.9125 60.3626 63.3403 173.9208 206 N 4.2746 8.8562 118.7681 54.3166 36.0320 174.6322 207 T 3.8820 7.1959 114.2603 63.8715 68.9224 173.8971 208 Q 4.4138 8.6586 126.9375 56.2098 30.7301 174.6339 209 V 4.9082 9.4049 126.2146 61.1100 34.8796 174.1110 210 V 4.8536 8.6686 127.1947 60.9597 34.3682 173.7170 211 L 5.0698 9.0206 129.8884 53.1871 45.3460 174.9431 212 L 5.3342 8.5851 124.9157 53.2586 46.0874 175.4896 213 S 4.7528 8.6310 114.8951 57.4405 65.7641 175.8721 214 A 4.3561 9.2485 129.5525 53.8502 18.5800 177.5613 215 T 4.7404 7.8118 103.6169 60.2860 71.9425 173.9189 216 M 4.7564 8.1310 120.1597 53.3214 32.4619 173.5068 217 P 4.5650 0.0000 0.0000 61.8083 33.1890 178.4543 218 S 4.1491 8.5598 114.1367 61.7171 62.0682 176.3661 219 D 4.3299 8.0019 122.2712 57.0657 40.7139 178.5837 220 V 3.5964 7.9236 119.0147 65.8686 31.2995 178.1544 221 L 3.9723 7.7531 117.4816 57.6186 41.5680 178.5346 222 E 4.0133 8.2984 119.0695 59.1269 29.5657 178.8145 223 V 3.2539 6.9932 116.8865 64.9599 33.0738 177.8390 224 T 3.9548 7.2107 110.6846 61.8055 65.2184 174.2927 *227 F 4.3266 7.9621 126.6282 57.5144 41.3512 175.0699 228 M 5.1258 7.8211 117.9767 53.2533 34.8901 174.9080 229 R 4.3958 8.7930 120.2741 55.9475 33.1656 175.1406 230 D 4.2853 8.8746 125.6393 54.5964 39.5278 171.3137 231 P 4.6540 0.0000 0.0000 62.5407 33.1111 177.9369 232 I 3.9508 8.8284 123.2677 61.7596 38.2953 175.1105 233 R 4.9337 9.3542 126.5188 54.6426 32.2060 175.1019 234 I 4.9694 8.7879 125.4739 59.2538 40.3748 174.4543 235 L 5.0260 8.4353 128.3980 53.2579 44.2512 176.3223 236 V 4.0059 8.6509 125.9516 63.0380 31.0941 175.4368 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 23 I 8.02 4.15 1.95 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 1.24 1.14 0.99 0.00 0.00 24 E 8.89 4.17 0.00 2.17 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 2.38 2.74 0.00 25 S 8.03 5.74 0.00 3.86 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 26 N 8.83 4.83 0.00 2.75 2.90 0.00 0.00 5.67 8.88 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 27 W 8.24 4.67 0.00 3.29 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 28 N 8.00 4.17 0.00 2.90 3.01 0.00 0.00 5.96 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 29 E 7.67 3.98 0.00 1.66 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 30 I 8.13 4.80 1.86 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 1.48 0.81 0.90 0.00 0.00 31 V 8.24 4.38 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 0.95 0.00 0.00 1.04 0.00 0.00 32 D 8.73 4.71 0.00 2.75 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 33 S 7.42 4.56 0.00 3.81 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 34 F 8.77 4.46 0.00 3.18 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 35 D 8.43 4.61 0.00 2.77 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 36 D 7.81 4.95 0.00 2.84 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 37 M 8.01 4.58 0.00 2.03 2.29 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.56 0.00 38 N 7.99 4.18 0.00 2.84 2.87 0.00 0.00 6.99 7.85 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 39 L 7.49 4.73 0.00 1.61 1.55 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.98 4.32 0.00 4.01 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 41 E 8.68 3.87 0.00 2.05 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 2.36 2.41 0.00 42 S 8.15 4.12 0.00 3.91 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 43 L 7.92 3.89 0.00 1.74 1.78 0.84 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 44 L 7.82 3.51 0.00 1.86 1.53 1.03 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 R 8.20 3.92 0.00 1.86 1.83 0.00 2.21 0.00 0.00 2.57 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 1.33 0.00 46 G 8.09 3.95 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 0.00 0.00 0.00 47 I 7.77 3.50 1.30 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.18 -0.04 0.00 0.00 48 Y 7.86 4.63 0.00 3.00 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 49 A 8.16 4.13 1.55 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 50 Y 7.79 3.79 0.00 2.93 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.48 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 52 F 7.86 5.11 0.00 3.15 3.16 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 53 E 9.13 4.51 0.00 2.10 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 2.32 2.41 0.00 *55 P 0.00 3.93 0.00 1.84 1.10 0.00 3.52 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.24 0.00 56 S 8.28 4.37 0.00 4.06 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 57 A 8.39 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0.00 0.00 1.37 0.72 0.93 0.00 0.00 136 G 8.04 4.47 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 0.00 0.00 0.00 137 G 8.76 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 0.00 138 T 7.63 4.62 4.26 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 1.24 0.00 0.00 139 N 8.66 4.33 0.00 2.75 2.90 0.00 0.00 6.81 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 0.00 140 V 7.85 3.18 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 0.97 0.00 0.00 0.94 0.00 0.00 141 R 8.28 3.86 0.00 2.00 2.13 0.00 2.99 0.00 0.00 3.30 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 142 A 7.82 3.94 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 0.00 143 E 8.00 4.05 0.00 1.95 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 2.34 2.52 0.00 144 V 7.64 3.62 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.80 0.00 0.00 145 Q 8.23 4.36 0.00 2.07 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.17 0.00 0.00 0.00 0.00 0.00 2.31 2.53 0.00 *147 L 7.86 4.18 0.00 1.77 1.74 0.88 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 148 Q 7.31 4.11 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.70 7.47 0.00 0.00 0.00 0.00 0.00 2.60 2.49 0.00 149 M 7.55 4.23 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.71 0.00 150 E 8.16 4.06 0.00 1.95 2.28 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 2.08 2.15 0.00 151 A 8.30 4.16 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 0.00 152 P 0.00 4.43 0.00 2.35 1.99 0.00 3.58 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 153 H 8.84 4.63 0.00 3.30 3.33 0.00 5.58 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 I 8.01 5.03 1.93 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 1.29 1.00 0.99 0.00 0.00 155 I 8.74 5.17 1.91 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 1.31 1.05 0.95 0.00 0.00 156 V 8.57 4.86 2.16 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 0.96 0.00 0.00 1.04 0.00 0.00 157 G 8.65 4.50 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 0.00 158 T 7.82 5.16 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 159 P 0.00 4.30 0.00 1.76 2.10 0.00 2.20 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 160 G 7.67 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 0.00 0.00 0.00 161 R 7.90 3.97 0.00 1.97 2.07 0.00 3.46 0.00 0.00 3.51 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.79 0.00 162 V 7.77 3.59 2.14 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 1.00 0.00 0.00 0.97 0.00 0.00 163 F 8.28 3.99 0.00 3.39 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 0.00 164 D 8.19 4.28 0.00 3.07 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 0.00 165 M 8.08 4.27 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.95 0.00 166 L 7.64 4.19 0.00 1.58 1.50 0.84 0.42 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 0.00 167 N 7.44 3.93 0.00 1.96 2.51 0.00 0.00 7.32 7.24 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 0.00 168 R 7.74 3.96 0.00 1.76 0.77 0.00 3.60 0.00 0.00 3.36 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 169 R 7.70 4.18 0.00 1.68 1.89 0.00 3.06 0.00 0.00 3.11 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 170 Y 7.04 4.48 0.00 2.93 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 0.00 171 L 8.30 4.64 0.00 1.66 1.37 0.93 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 172 S 8.52 4.65 0.00 3.86 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 0.00 173 P 0.00 4.36 0.00 2.10 2.05 0.00 3.69 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 1.93 1.85 0.00 *175 Y 7.81 4.37 0.00 3.22 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 0.00 176 I 7.41 4.60 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 1.27 0.97 0.93 0.00 0.00 *178 M 8.20 4.52 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.60 0.00 179 F 9.23 5.60 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 180 V 8.90 4.53 1.66 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 0.03 0.00 0.00 0.82 0.00 0.00 181 L 8.36 4.38 0.00 1.39 1.39 0.86 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 182 D 8.65 4.62 0.00 2.31 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 183 E 8.70 3.75 0.00 2.21 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 2.34 2.32 0.00 184 A 7.95 3.99 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 0.00 185 D 8.06 4.31 0.00 2.91 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 0.00 186 E 8.18 4.02 0.00 2.21 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 2.42 2.57 0.00 187 M 8.15 4.42 0.00 2.26 2.30 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.70 0.00 188 L 8.12 4.12 0.00 1.72 1.72 0.92 0.92 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 0.00 189 S 8.06 4.31 0.00 4.03 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 190 R 7.81 4.28 0.00 1.76 1.64 0.00 3.44 0.00 0.00 3.39 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.81 0.00 191 G 7.60 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 192 F 7.57 5.25 0.00 3.39 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 *194 D 8.18 4.61 0.00 2.68 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 0.00 195 Q 8.04 3.89 0.00 2.44 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.92 0.00 0.00 0.00 0.00 0.00 2.56 2.31 0.00 196 I 8.20 4.03 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.97 1.20 0.00 0.00 197 Y 8.56 4.33 0.00 3.24 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 0.00 198 D 8.64 4.60 0.00 2.49 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 0.00 199 I 7.85 3.95 2.22 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.93 0.76 0.00 0.00 200 F 7.89 3.57 0.00 2.50 2.91 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 0.00 201 Q 7.61 3.56 0.00 2.15 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.28 0.00 0.00 0.00 0.00 0.00 2.37 2.39 0.00 *203 L 7.71 3.88 0.00 1.10 1.27 -0.15 0.78 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 0.00 204 N 8.10 4.25 0.00 2.60 2.62 0.00 0.00 6.85 8.20 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 0.00 205 S 8.33 3.92 0.00 3.78 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 0.00 206 N 8.86 4.27 0.00 2.85 2.90 0.00 0.00 6.99 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 0.00 207 T 7.20 3.88 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 1.21 0.00 0.00 208 Q 8.66 4.41 0.00 2.17 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.51 0.00 209 V 9.40 4.91 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 1.09 0.00 0.00 1.35 0.00 0.00 210 V 8.67 4.85 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 0.96 0.00 0.00 0.94 0.00 0.00 211 L 9.02 5.07 0.00 1.60 1.38 0.77 0.24 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 0.00 212 L 8.59 5.33 0.00 1.62 1.52 0.84 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 213 S 8.63 4.75 0.00 3.84 3.66 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 0.00 0.00 0.00 0.00 214 A 9.25 4.36 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 0.00 215 T 7.81 4.74 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 0.00 216 M 8.13 4.76 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.41 0.00 217 P 0.00 4.57 0.00 2.20 2.16 0.00 3.74 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.94 0.00 218 S 8.56 4.15 0.00 4.05 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 0.00 219 D 8.00 4.33 0.00 2.69 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 0.00 220 V 7.92 3.60 2.16 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 0.97 0.00 0.00 0.93 0.00 0.00 221 L 7.75 3.97 0.00 1.78 1.68 0.90 0.83 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 0.00 222 E 8.30 4.01 0.00 1.96 2.14 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 2.34 2.41 0.00 223 V 6.99 3.25 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 -0.30 0.00 0.00 0.91 0.00 0.00 224 T 7.21 3.95 4.17 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 1.14 0.00 0.00 *227 F 7.96 4.33 0.00 2.73 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 0.00 228 M 7.82 5.13 0.00 2.09 2.03 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.49 0.00 229 R 8.79 4.40 0.00 1.74 1.78 0.00 3.43 0.00 0.00 3.17 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 230 D 8.87 4.29 0.00 2.70 2.53 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 0.00 231 P 0.00 4.65 0.00 2.09 2.02 0.00 3.80 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 1.96 1.98 0.00 232 I 8.83 3.95 1.75 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.68 0.86 0.00 0.00 233 R 9.35 4.93 0.00 1.75 1.85 0.00 3.07 0.00 0.00 3.16 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 234 I 8.79 4.97 1.89 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 1.18 0.89 0.94 0.00 0.00 235 L 8.44 5.03 0.00 1.61 1.53 0.97 1.03 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 0.00 236 V 8.65 4.01 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 0.77 0.00 0.00 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.