NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 N 4.5725 8.4201 119.2028 53.3794 40.4044 174.9582 0 A 4.1093 8.3217 127.6503 53.4436 17.1047 177.3436 2 I 3.0346 8.4261 123.9254 62.8632 38.9545 175.4909 3 A 4.1115 7.9944 120.7137 55.2012 18.1010 179.6568 4 K 3.9506 7.7810 115.4780 59.7396 32.1609 179.2167 5 E 4.0405 8.3292 118.3035 59.5346 29.3336 179.0926 6 F 4.3041 8.9352 120.6802 61.3413 39.4814 176.3762 7 E 3.9073 8.5514 118.9950 59.8361 29.1649 178.7216 8 T 4.0417 8.1833 114.2673 66.8347 68.8966 175.6461 9 F 4.2946 8.5740 122.4334 61.6055 39.3124 177.0446 10 L 3.4300 8.3313 118.6189 57.6720 41.1217 179.3496 11 L 3.9153 8.7838 120.0997 57.9741 41.3864 179.4001 12 G 3.8212 7.7523 103.0662 46.1115 0.0000 173.8539 13 Q 4.4544 8.3138 120.3698 55.4516 29.6592 177.0543 14 E 2.5400 7.5257 120.0863 59.3000 29.4751 178.7806 15 E 4.1376 7.6186 114.4710 57.1370 30.1498 176.9005 16 T 4.2602 7.5507 115.8291 65.2288 69.7521 176.2684 17 F 4.4339 7.3592 115.4147 58.2047 38.5871 174.2245 18 L 4.8847 7.1195 123.9557 53.7585 43.0510 175.7095 19 T 4.6891 8.4688 123.8478 61.1169 70.9783 172.2602 20 P 4.8771 0.0000 0.0000 61.8726 33.1388 176.7021 21 A 4.0912 9.4032 126.4328 56.4918 18.4483 181.2857 22 K 4.4451 7.2173 112.9410 59.0690 32.3895 176.7563 23 N 4.8557 8.6825 113.8224 52.7997 39.1895 174.3842 24 L 4.8165 7.9800 118.3895 52.3344 44.4955 175.9865 25 A 4.2784 8.4614 123.9318 52.2666 19.0087 177.5806 26 V 4.5154 8.1120 115.1449 59.4586 35.7350 174.9234 27 L 4.6840 8.0921 124.2852 52.8825 43.7683 176.3272 28 I 4.4548 8.2702 117.4457 60.7121 38.5672 176.8770 29 D 4.3458 9.0711 124.5224 55.8773 39.2678 177.6992 30 T 4.7886 7.5219 107.7199 60.6420 69.4768 174.0767 31 H 4.1893 8.0124 124.0352 55.8946 30.6271 174.4443 32 N 5.5236 8.6732 125.7109 52.3889 39.2762 176.0474 33 A 4.0012 8.5540 124.4132 55.2900 18.1151 179.6811 34 D 4.2626 8.0285 116.1889 57.9310 41.3731 177.8465 35 H 4.2113 9.2389 118.7522 58.6365 29.7544 176.8330 36 A 3.9409 8.2133 122.9729 55.5314 18.1215 179.3780 37 T 3.8516 7.9121 113.9790 66.8477 68.3659 176.1837 38 L 3.8759 7.2490 119.8326 58.2445 42.5155 178.4534 39 L 4.1154 8.4233 119.0989 58.0169 41.4055 179.5157 40 L 3.9904 8.3585 117.8230 57.9667 41.7472 179.6858 41 S 4.2840 8.0795 112.2566 60.5295 62.7918 175.1186 42 Q 4.5023 7.6106 121.2068 56.1578 30.0766 176.6147 *44 T 4.2566 7.9394 111.6813 61.6076 70.7952 173.9270 45 Y 4.5000 7.5747 118.7053 57.9338 38.7094 175.8220 46 T 4.1340 8.9260 120.2896 65.8161 69.0121 175.2255 47 R 4.6692 7.2714 118.0630 54.1083 33.1052 175.9326 48 V 4.5488 8.2451 115.3189 58.6556 35.7396 173.5736 49 P 4.7694 0.0000 0.0000 62.6778 33.0881 174.9623 50 V 4.6117 8.9091 121.9130 61.2604 34.3945 174.7942 51 V 5.0239 8.3116 119.6707 59.4886 36.2713 175.4615 52 T 4.6856 8.6370 113.3593 60.6029 69.8682 175.3485 53 D 4.4099 8.7675 121.5906 56.4080 38.8956 177.4667 54 E 4.4475 8.0160 115.4548 56.0313 30.4615 176.1149 55 K 3.9854 8.5653 116.2994 58.3203 30.3561 175.5848 56 Q 4.3312 7.9214 118.9855 55.5743 29.0746 175.6869 57 F 4.2622 9.0870 126.0566 58.4489 39.9628 174.3803 58 V 3.7444 8.0934 128.1117 62.6856 32.5120 175.5620 59 G 3.4655 5.4732 104.7847 45.7548 0.0000 170.8723 60 T 4.9553 7.2930 108.4148 60.0025 72.2178 173.2092 61 I 4.8689 8.3296 121.7176 59.6002 41.9298 173.9299 62 G 4.4321 9.4178 115.0917 44.0681 0.0000 173.4001 63 L 4.1077 8.6273 119.5356 57.6754 41.9269 180.1178 64 R 3.7542 7.9994 117.7301 59.3521 30.4312 177.1672 65 D 4.5170 8.1604 117.9190 57.6482 41.0002 178.6601 66 I 3.9673 7.3668 115.5984 62.2940 36.4468 177.4789 *68 A 4.2438 7.9011 125.3460 52.4307 20.4897 178.5435 69 Y 4.1104 7.9507 116.9094 61.0509 39.0763 177.3348 70 Q 3.9484 8.5202 120.0046 57.8432 29.7396 177.7627 *72 E 4.0459 8.1083 117.3686 56.2173 31.0261 175.9300 73 H 4.4921 8.0333 112.5720 54.6759 29.3339 173.9859 74 D 4.3362 8.0216 118.2481 55.0841 39.8159 173.2499 75 L 4.4291 7.8621 117.1458 52.9271 42.8463 177.3781 76 S 4.2927 8.4953 118.0527 58.1002 63.5711 174.0394 77 Q 4.1220 8.8071 122.3142 59.4058 28.6950 177.9120 78 E 4.1257 8.2337 113.9237 59.4973 29.8148 178.5827 79 I 3.8970 7.5463 119.9651 61.2697 36.3685 177.6086 *81 A 4.4162 8.0114 124.6325 51.7136 20.1745 177.7539 82 D 4.8167 7.8604 112.5089 54.1624 41.8806 175.6154 83 T 4.5631 7.4796 114.9341 62.4560 70.2307 173.5052 84 D 4.7630 8.5411 125.3390 53.5860 41.8874 177.4176 85 I 3.5379 8.2935 125.7638 64.5581 37.3631 177.4737 86 V 3.9415 7.4974 118.0660 64.4368 30.9257 177.8192 87 H 4.2864 7.6150 114.3864 56.2538 28.0526 175.1581 *89 T 3.8995 7.7389 115.3931 63.1821 69.6891 173.0229 90 K 4.5205 8.5976 126.8788 55.6503 32.4955 177.0234 91 T 4.3331 8.3071 116.0411 62.2571 70.7166 174.8070 92 D 4.7147 7.8478 122.3719 52.9812 39.3212 174.6932 93 V 4.5160 7.4606 119.9699 59.1802 34.9216 175.4725 94 A 4.4309 8.2064 125.1719 51.6766 19.3995 177.1064 95 V 4.7275 8.1098 114.5569 59.6132 36.2277 175.1340 96 V 4.6922 8.4673 114.2124 59.2341 35.4693 176.1615 97 S 5.4361 8.6052 118.1243 57.3945 64.0783 173.2678 98 P 4.7775 0.0000 0.0000 64.0984 31.0327 176.6476 99 D 4.7193 7.4290 118.8210 53.1625 41.4252 176.7037 100 F 4.3146 7.8642 113.7685 57.1576 38.7742 175.4167 101 T 4.4383 8.4373 113.7079 60.6776 71.5127 175.9882 102 I 3.6924 8.2355 122.8372 64.9836 37.3951 178.4807 103 T 3.8630 8.0788 109.9828 65.1593 68.1501 175.5999 104 E 3.9282 8.0867 121.5615 59.0502 29.7339 178.3650 105 V 3.4659 7.9087 118.2847 66.5089 31.2485 177.8811 106 L 3.9254 7.9283 117.6669 58.1548 41.2972 178.8966 107 H 4.3398 8.1068 117.7979 59.0973 29.8217 177.5747 108 K 4.0166 8.0493 120.4802 59.1496 31.6592 178.6092 109 L 4.4619 8.0126 117.4261 54.6490 41.4209 178.4588 110 V 4.1259 7.2997 119.3882 62.2869 32.2044 176.5900 111 D 4.6021 7.9448 118.5891 55.5875 41.8472 175.2541 112 E 5.0836 7.8446 117.2388 54.6987 32.0399 175.2672 113 S 4.6529 8.5815 108.1830 58.0201 65.7848 173.2096 114 F 4.6858 8.5173 119.5607 55.5479 40.9551 174.8444 115 L 4.6077 8.7572 126.5408 52.5757 43.7918 173.8042 116 P 4.9499 0.0000 0.0000 62.3380 33.0909 175.5290 117 V 4.7094 9.1896 123.6890 61.1585 34.0121 174.6647 118 V 5.0686 8.8956 127.3646 60.2560 35.2491 174.5996 119 D 4.8024 8.7942 126.5815 52.6766 40.1452 176.8772 120 A 4.1709 8.4568 122.3346 54.1823 18.6217 178.7364 121 E 3.9722 8.1083 116.6339 60.5143 29.9957 176.7714 122 G 3.8819 7.5395 104.6407 45.8343 0.0000 172.7214 123 I 4.5496 8.3694 122.8274 59.1919 38.2844 175.0550 124 F 4.5581 8.5028 127.3830 58.4637 39.7201 174.7186 125 Q 4.1538 8.5168 125.2719 54.5334 30.9014 174.9911 126 G 3.9536 5.5757 104.3077 45.9801 0.0000 171.5027 127 I 5.1819 7.8911 112.4193 58.9987 41.2475 174.5653 128 I 5.4465 8.9751 124.2020 58.8253 40.3727 174.7541 129 T 5.0424 9.1671 116.4321 58.1735 71.9510 175.0892 130 R 3.8252 8.6148 121.6628 59.5132 30.0275 179.1598 131 K 3.9317 7.9085 118.9410 59.5879 32.2104 178.8773 132 S 4.2431 7.7579 114.2359 61.2874 63.0269 176.4839 133 I 3.8452 8.0396 123.8260 63.8037 36.8263 178.1307 134 L 4.0005 8.0908 120.0420 57.8373 41.2928 179.3425 135 K 3.8445 7.7436 116.6994 59.7854 32.2632 178.6058 136 A 4.2036 7.7806 120.1894 55.4458 18.3342 180.1414 137 V 3.9986 8.1308 110.7133 64.2987 31.7065 178.3181 138 N 4.3551 8.7351 116.4040 55.7338 38.0678 176.8465 139 A 4.1511 7.7887 121.4134 54.7121 18.3948 178.6920 140 L 4.2130 8.4682 116.3268 55.5315 41.8846 178.7885 141 L 3.0989 7.6493 121.9655 58.1064 41.8512 178.1550 142 H 4.1135 8.2984 112.7088 58.7537 28.2210 175.0615 143 D 4.6839 7.2796 116.8459 54.3099 40.5068 176.2320 144 F 4.7980 8.2125 119.4567 56.2660 40.6689 175.3563 145 S 4.6237 8.0586 114.9760 56.3730 65.8744 173.7286 146 K 3.8247 8.3892 121.8266 55.8250 32.9840 176.9150 147 E 3.8209 8.8137 123.3930 59.6538 29.5899 178.1216 148 Y 4.5289 7.4275 112.2800 57.8640 37.9120 175.4544 149 E 4.4890 7.6493 118.9303 56.5616 29.9104 175.9786 150 I 4.6567 7.8912 121.9352 60.3572 41.1303 176.1569 151 R 4.2118 8.3368 121.0523 56.6686 30.1701 173.5938 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 -1 N 8.42 4.57 0.00 2.70 2.79 0.00 0.00 6.98 7.08 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 A 8.32 4.11 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 2 I 8.43 3.03 1.98 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 1.34 0.48 0.87 0.00 0.00 3 A 7.99 4.11 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 4 K 7.78 3.95 0.00 1.90 1.91 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.52 7.81 5 E 8.33 4.04 0.00 2.26 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 0.00 2.46 2.37 0.00 6 F 8.94 4.30 0.00 3.23 3.32 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 7 E 8.55 3.91 0.00 2.23 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 0.00 2.34 2.39 0.00 8 T 8.18 4.04 4.53 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 1.25 0.00 0.00 9 F 8.57 4.29 0.00 3.11 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 10 L 8.33 3.43 0.00 1.56 1.52 0.20 0.65 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 11 L 8.78 3.92 0.00 1.79 1.73 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 12 G 7.75 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 0.00 0.00 0.00 13 Q 8.31 4.45 0.00 2.19 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.61 0.00 0.00 0.00 0.00 0.00 1.72 1.99 0.00 14 E 7.53 2.54 0.00 1.83 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 15 E 7.62 4.14 0.00 1.81 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 2.18 2.19 0.00 16 T 7.55 4.26 4.27 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 1.22 0.00 0.00 17 F 7.36 4.43 0.00 3.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.12 4.88 0.00 1.61 1.65 0.85 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 19 T 8.47 4.69 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 1.21 0.00 0.00 20 P 0.00 4.88 0.00 2.05 2.09 0.00 3.69 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 1.92 0.00 21 A 9.40 4.09 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 22 K 7.22 4.45 0.00 1.76 1.85 0.00 1.69 0.00 0.00 1.68 0.00 0.00 3.00 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.43 1.48 7.81 23 N 8.68 4.86 0.00 2.81 2.85 0.00 0.00 6.89 7.89 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 24 L 7.98 4.82 0.00 1.68 1.59 1.14 0.59 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 25 A 8.46 4.28 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 V 8.11 4.52 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 0.82 0.00 0.00 0.95 0.00 0.00 27 L 8.09 4.68 0.00 1.44 1.47 0.82 0.98 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 28 I 8.27 4.45 1.85 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 1.40 0.61 0.90 0.00 0.00 29 D 9.07 4.35 0.00 2.73 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 30 T 7.52 4.79 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 1.20 0.00 0.00 31 H 8.01 4.19 0.00 3.37 3.19 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.67 5.52 0.00 3.01 2.87 0.00 0.00 6.62 7.26 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 33 A 8.55 4.00 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 34 D 8.03 4.26 0.00 2.88 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 35 H 9.24 4.21 0.00 3.26 3.29 0.00 5.66 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 36 A 8.21 3.94 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 37 T 7.91 3.85 4.42 0.00 0.00 0.00 0.00 0.00 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 38 L 7.25 3.88 0.00 1.55 1.72 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.42 4.12 0.00 1.97 1.68 0.96 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 40 L 8.36 3.99 0.00 1.79 1.72 0.87 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 41 S 8.08 4.28 0.00 4.01 4.14 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 42 Q 7.61 4.50 0.00 2.26 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.62 0.00 0.00 0.00 0.00 0.00 2.50 2.47 0.00 *44 T 7.94 4.26 3.86 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 1.10 0.00 0.00 45 Y 7.57 4.50 0.00 3.17 3.33 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 46 T 8.93 4.13 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 47 R 7.27 4.67 0.00 0.67 1.14 0.00 3.05 0.00 0.00 3.01 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.18 0.00 48 V 8.25 4.55 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 0.87 0.00 0.00 0.84 0.00 0.00 49 P 0.00 4.77 0.00 1.28 1.84 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 50 V 8.91 4.61 1.93 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 0.74 0.00 0.00 0.77 0.00 0.00 51 V 8.31 5.02 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 0.64 0.00 0.00 0.90 0.00 0.00 52 T 8.64 4.69 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 1.18 0.00 0.00 53 D 8.77 4.41 0.00 2.80 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 54 E 8.02 4.45 0.00 2.11 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 2.23 2.33 0.00 55 K 8.57 3.99 0.00 2.02 2.03 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 56 Q 7.92 4.33 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.99 0.00 0.00 0.00 0.00 0.00 2.41 2.46 0.00 57 F 9.09 4.26 0.00 3.13 3.10 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 0.00 58 V 8.09 3.74 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 0.62 0.00 0.00 0.86 0.00 0.00 59 G 5.47 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 0.00 0.00 0.00 60 T 7.29 4.96 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 61 I 8.33 4.87 1.74 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.25 0.85 0.00 0.00 62 G 9.42 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 63 L 8.63 4.11 0.00 1.71 1.74 0.92 0.73 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 64 R 8.00 3.75 0.00 1.77 1.95 0.00 3.25 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 65 D 8.16 4.52 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 66 I 7.37 3.97 2.00 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 1.17 0.88 0.93 0.00 0.00 *68 A 7.90 4.24 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 69 Y 7.95 4.11 0.00 3.19 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 70 Q 8.52 3.95 0.00 2.32 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.16 0.00 0.00 0.00 0.00 0.00 2.39 2.48 0.00 *72 E 8.11 4.05 0.00 1.84 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 1.47 2.05 0.00 73 H 8.03 4.49 0.00 2.83 3.07 0.00 5.85 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 D 8.02 4.34 0.00 2.72 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 75 L 7.86 4.43 0.00 1.71 1.61 1.01 0.97 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 76 S 8.50 4.29 0.00 3.98 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 77 Q 8.81 4.12 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.08 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 78 E 8.23 4.13 0.00 2.12 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 0.00 2.29 2.35 0.00 79 I 7.55 3.90 2.02 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 1.24 1.13 0.94 0.00 0.00 *81 A 8.01 4.42 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 82 D 7.86 4.82 0.00 2.64 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 83 T 7.48 4.56 4.27 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 1.25 0.00 0.00 84 D 8.54 4.76 0.00 2.70 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 85 I 8.29 3.54 1.99 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 1.27 0.54 0.82 0.00 0.00 86 V 7.50 3.94 1.93 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 0.84 0.00 0.00 0.79 0.00 0.00 87 H 7.62 4.29 0.00 2.95 3.27 0.00 5.69 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *89 T 7.74 3.90 4.18 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 0.00 0.00 1.09 0.00 0.00 90 K 8.60 4.52 0.00 1.76 1.69 0.00 1.58 0.00 0.00 1.70 0.00 0.00 3.24 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.36 7.81 91 T 8.31 4.33 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 1.23 0.00 0.00 92 D 7.85 4.71 0.00 2.66 2.66 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 93 V 7.46 4.52 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 1.01 0.00 0.00 1.06 0.00 0.00 94 A 8.21 4.43 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 V 8.11 4.73 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 0.67 0.00 0.00 0.90 0.00 0.00 96 V 8.47 4.69 2.20 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 0.81 0.00 0.00 0.90 0.00 0.00 97 S 8.61 5.44 0.00 3.91 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 98 P 0.00 4.78 0.00 2.04 2.15 0.00 3.63 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 99 D 7.43 4.72 0.00 2.54 2.52 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 0.00 100 F 7.86 4.31 0.00 3.13 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 0.00 101 T 8.44 4.44 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 1.21 0.00 0.00 102 I 8.24 3.69 2.01 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 1.73 0.86 0.83 0.00 0.00 103 T 8.08 3.86 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 0.00 104 E 8.09 3.93 0.00 2.05 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 0.00 2.36 2.36 0.00 105 V 7.91 3.47 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 0.69 0.00 0.00 0.72 0.00 0.00 106 L 7.93 3.93 0.00 1.77 1.74 0.81 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 107 H 8.11 4.34 0.00 3.30 3.52 0.00 5.58 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 K 8.05 4.02 0.00 1.95 1.81 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.64 1.63 7.81 109 L 8.01 4.46 0.00 1.57 1.65 0.79 0.65 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 0.00 110 V 7.30 4.13 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 0.77 0.00 0.00 0.93 0.00 0.00 111 D 7.94 4.60 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 0.00 112 E 7.84 5.08 0.00 2.21 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 0.00 2.39 2.34 0.00 113 S 8.58 4.65 0.00 3.89 4.14 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 0.00 114 F 8.52 4.69 0.00 2.91 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 0.00 115 L 8.76 4.61 0.00 1.66 1.54 0.94 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 116 P 0.00 4.95 0.00 1.61 1.75 0.00 3.75 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 2.21 2.23 0.00 117 V 9.19 4.71 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 1.15 0.00 0.00 0.82 0.00 0.00 118 V 8.90 5.07 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 1.23 0.00 0.00 0.52 0.00 0.00 119 D 8.79 4.80 0.00 2.87 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 0.00 120 A 8.46 4.17 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 0.00 121 E 8.11 3.97 0.00 1.95 2.33 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 2.31 2.32 0.00 122 G 7.54 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 0.00 123 I 8.37 4.55 1.91 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 1.22 0.65 0.96 0.00 0.00 124 F 8.50 4.56 0.00 3.26 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 8.52 4.15 0.00 1.91 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.60 0.00 0.00 0.00 0.00 0.00 2.16 2.16 0.00 126 G 5.58 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 0.00 127 I 7.89 5.18 1.85 0.00 0.00 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 1.30 0.75 1.21 0.00 0.00 128 I 8.98 5.45 1.68 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.76 0.84 0.00 0.00 129 T 9.17 5.04 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 0.33 0.00 0.00 130 R 8.61 3.83 0.00 1.84 2.02 0.00 3.14 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.68 0.00 131 K 7.91 3.93 0.00 1.81 1.78 0.00 1.77 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.51 7.81 132 S 7.76 4.24 0.00 4.10 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 0.00 133 I 8.04 3.85 1.94 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.57 0.88 0.00 0.00 134 L 8.09 4.00 0.00 1.93 1.73 0.95 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 135 K 7.74 3.84 0.00 1.98 1.94 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.51 7.81 136 A 7.78 4.20 1.48 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 0.00 137 V 8.13 4.00 2.32 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 1.08 0.00 0.00 1.06 0.00 0.00 138 N 8.74 4.36 0.00 2.90 2.86 0.00 0.00 6.75 7.29 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 0.00 139 A 7.79 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.47 4.21 0.00 1.69 1.76 0.87 -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 0.00 141 L 7.65 3.10 0.00 1.68 1.49 0.52 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 142 H 8.30 4.11 0.00 3.31 3.43 0.00 5.57 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 D 7.28 4.68 0.00 2.76 2.70 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 0.00 144 F 8.21 4.80 0.00 2.98 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 0.00 145 S 8.06 4.62 0.00 4.00 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 0.00 146 K 8.39 3.82 0.00 0.94 1.19 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.92 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.21 7.81 147 E 8.81 3.82 0.00 2.02 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 2.41 2.39 0.00 148 Y 7.43 4.53 0.00 3.09 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 0.00 149 E 7.65 4.49 0.00 1.95 1.94 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 2.18 1.81 0.00 150 I 7.89 4.66 1.80 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 1.06 0.40 0.85 0.00 0.00 151 R 8.34 4.21 0.00 1.77 1.61 0.00 3.30 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.19 0.00 * Residues marked with a * may have inaccurate shift predictions.