NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.8471 8.4249 118.1343 53.3353 39.9297 174.5594 6 L 4.0307 7.8323 119.8081 57.3662 42.4566 177.9388 7 S 4.3699 8.8398 114.5345 60.5136 64.3099 173.7137 8 Y 4.9606 7.5801 117.2863 55.0395 38.0818 173.7399 9 P 4.3775 0.0000 0.0000 64.7696 31.9395 178.2070 10 I 4.5262 7.7397 110.5675 60.1376 38.3875 177.2890 11 G 3.9325 8.0642 109.4584 46.0740 0.0000 173.1410 12 E 4.2566 8.2255 118.8309 53.8608 33.4045 174.8538 13 Y 3.6993 6.2948 121.5669 57.2276 39.2526 174.5732 14 K 3.9897 7.3428 128.2549 53.6506 32.6999 173.9512 15 P 4.5421 0.0000 0.0000 62.3773 31.9561 176.0054 16 R 4.7075 8.4869 116.8182 54.4847 32.5853 174.8814 17 E 4.0832 8.7343 118.7998 57.2848 29.9780 176.0780 18 S 4.5728 7.9237 112.3057 56.4377 63.5261 172.9907 19 I 4.3451 8.0235 126.4944 58.8894 39.4452 176.8559 20 S 4.3553 8.1848 120.5283 57.4711 65.1722 175.0021 21 K 3.7769 8.3628 122.8519 59.6878 31.9436 178.4378 22 E 3.8301 7.9869 119.0949 59.0991 29.5542 178.4849 23 Q 3.5118 7.8755 119.6112 58.8085 29.0934 178.1454 24 K 3.8506 7.7621 119.5140 59.7083 32.2340 178.9581 25 D 4.4004 8.2272 119.2955 57.3091 40.6031 178.9731 26 K 3.9843 8.0640 120.0609 59.2932 32.2007 178.9859 27 W 4.4716 8.2981 119.3734 59.8250 28.9411 178.5369 28 I 3.7015 8.0763 119.8775 64.3954 36.5555 178.2461 29 Q 3.9803 8.0375 119.9875 59.1960 28.6876 178.4388 30 V 3.6557 7.9409 118.4490 65.9507 31.7630 177.4333 31 L 4.0610 8.4261 120.5920 58.1000 41.6524 178.5831 32 E 4.0225 8.1184 118.4604 58.9993 29.7973 177.9557 33 E 4.2534 8.0203 116.8673 57.3330 29.6517 178.7412 34 V 3.5462 7.4387 119.3375 65.7105 31.5229 176.0784 35 P 4.1507 0.0000 0.0000 65.4333 31.1484 178.4516 36 A 3.9761 7.9270 119.2034 55.0843 18.2218 179.7129 37 K 3.9452 7.9090 116.8600 59.3225 32.1528 179.3903 38 L 3.8987 8.1703 120.9843 57.9932 41.9851 178.8626 39 K 3.8979 8.2593 119.7981 59.6670 31.8791 178.5253 40 Q 4.1292 8.0183 116.9683 59.2039 28.7268 178.7085 41 A 4.1448 7.6917 120.6413 54.5003 18.8403 178.9830 42 V 4.0665 7.5692 115.6857 64.4027 32.0967 177.5473 43 E 4.1466 8.2431 116.2454 58.0412 30.3682 177.4594 44 V 3.8318 7.0593 114.6187 61.0444 31.0709 175.4343 *46 T 4.0571 7.3614 110.7472 61.2454 71.5260 173.8016 47 D 4.3292 8.3741 120.5543 57.7693 40.5562 179.4769 48 S 4.1675 7.8472 112.7276 61.3247 63.4338 176.1211 49 Q 3.7665 7.3793 121.5202 58.6631 28.2831 178.4507 50 L 4.1300 8.2111 120.2643 57.1976 41.2833 178.2339 51 D 5.0405 7.5601 116.6117 54.3740 41.0041 175.7443 52 T 4.5604 7.7246 117.7745 61.6855 70.3172 172.7393 53 P 4.7005 0.0000 0.0000 63.4469 31.9052 176.9229 54 Y 4.3596 8.8950 122.5328 59.2721 38.8479 175.5323 55 R 4.4356 6.7754 113.3674 54.2379 32.6299 173.6503 56 D 4.4408 8.2888 118.6361 55.7892 41.3483 176.6184 57 G 3.8302 9.0129 115.0099 45.0982 0.0000 172.9034 58 G 3.6611 7.1816 106.4795 44.0113 0.0000 173.6771 59 W 5.1255 8.2948 119.0290 56.8611 30.4590 176.6320 60 T 4.9058 9.2211 113.0177 60.7915 69.6773 175.7379 61 V 3.6723 8.7603 121.3641 66.2461 31.3937 177.9820 62 R 3.8070 8.2385 118.3535 59.6297 29.8826 178.4292 63 Q 3.8532 8.0401 117.7662 58.9451 28.5824 179.1059 64 V 3.5984 8.0309 119.2226 65.8954 31.4643 178.1806 65 V 3.4914 7.8163 117.8840 66.5351 31.4353 177.8475 66 H 4.2953 7.9095 115.7584 58.9274 28.4575 177.3718 67 H 4.1736 8.3940 120.5510 59.1300 29.6327 177.2445 68 L 3.8595 8.1349 120.7935 57.6565 41.1991 179.4148 69 A 3.9563 7.5204 119.2315 55.2821 18.4387 179.1548 70 D 4.4900 7.9308 116.0680 57.5264 41.1870 178.6590 71 S 4.4600 8.3795 115.2769 60.9679 62.5316 175.8872 72 H 4.5212 8.3556 119.0686 56.1400 29.0882 177.4316 *74 N 4.4601 8.1466 119.3236 53.4225 40.7374 177.0948 75 S 3.8150 7.9325 112.1661 61.3627 62.3484 175.4248 76 Y 3.1023 7.1804 122.2768 60.5261 38.3159 178.2036 77 I 3.5361 7.5523 120.0001 64.5050 37.2252 178.4771 78 R 3.6636 7.7674 118.7454 58.9236 29.7211 179.0623 79 F 3.8749 8.3895 117.8086 60.6504 38.7523 177.9624 80 K 3.9479 7.5152 116.3124 59.1146 32.1560 179.1112 81 L 4.0887 8.1565 119.8583 58.0881 41.3499 179.8492 82 S 4.2272 7.9212 113.6590 61.3223 62.8289 176.2316 83 L 4.2545 7.8585 120.4800 56.1655 41.6138 177.4816 84 T 4.5693 7.5285 106.1949 61.0521 69.9450 173.5108 85 E 4.6541 7.7296 120.1001 54.7296 33.5551 174.7596 86 E 4.2334 8.7532 120.7192 56.2431 29.9688 177.0894 87 T 3.9854 8.7834 121.0083 62.7274 65.9661 170.6081 88 P 4.5864 0.0000 0.0000 62.4647 33.4512 177.1637 89 A 5.0028 8.6595 124.4953 52.2035 18.9747 177.5222 90 I 4.1257 8.4992 117.2858 59.8311 40.0606 175.4421 91 R 4.3663 8.1618 122.3656 53.8995 29.8456 173.9349 92 P 4.5934 0.0000 0.0000 62.5326 32.2000 175.3943 93 Y 4.8452 7.8132 116.6065 54.6743 41.0526 174.4564 94 D 4.7490 8.4517 120.9304 52.9450 40.5576 176.4214 95 E 3.9962 7.9698 125.2298 58.8932 29.5093 179.1834 96 K 4.4153 8.2219 118.1128 59.4833 32.6884 178.6385 97 A 4.2933 8.6452 121.0663 55.0278 18.1804 179.6675 98 W 4.2514 8.8589 117.6344 60.1369 28.9606 178.6645 99 S 4.1630 8.1704 113.2639 60.2657 62.3445 175.3378 100 E 4.4044 7.7210 119.2805 55.4511 30.3354 176.4857 101 L 4.1316 7.1822 120.6817 54.2205 42.5744 177.8085 102 K 3.8005 8.8617 123.0027 59.9783 31.8766 178.4566 103 D 4.2657 8.0345 117.4343 57.6736 40.9100 178.3956 104 S 4.0245 7.6857 113.7791 61.1275 62.8606 176.1548 105 K 4.2982 7.6293 119.5851 57.6075 32.1582 177.5707 106 T 4.4852 7.5286 105.9285 61.1355 70.6375 174.3911 107 A 4.0501 7.9952 125.3937 51.6277 18.8791 176.7210 108 D 4.4707 8.5164 121.5021 53.7763 41.9615 175.5746 109 P 4.3646 0.0000 0.0000 65.1256 31.2597 178.8695 110 S 4.2041 8.5393 113.9908 61.6897 62.5608 176.9736 111 G 3.6097 8.0487 108.7593 47.5971 0.0000 175.7060 112 S 4.1703 8.0163 117.0906 61.1341 62.9727 176.5521 113 L 3.9307 8.3134 121.9980 57.7116 41.3860 179.4555 114 A 3.9752 8.1494 120.7810 54.8760 18.3083 179.3968 115 L 3.8474 8.0941 119.0080 58.3443 42.1544 179.2110 116 L 4.0241 8.1003 119.0465 57.6863 41.5210 179.2233 117 Q 3.9262 7.9785 119.3835 59.4924 29.0666 178.4617 118 E 4.0125 8.1096 119.3896 59.0020 29.3426 179.2057 119 L 3.7689 8.3921 120.9977 58.5422 42.1713 178.8283 120 H 4.5227 8.9509 116.6644 58.4631 28.5249 177.9702 121 G 3.6915 8.1159 107.8986 48.1483 0.0000 176.0215 122 R 4.0375 8.0539 121.3273 58.1951 29.9722 179.0741 123 W 4.5604 8.5862 128.8578 60.9650 30.8286 178.2863 124 T 3.8443 8.3759 109.6343 64.4300 67.9465 176.4073 125 A 4.0214 7.9239 123.1954 54.9379 18.7562 178.9257 126 L 4.1069 8.2662 118.9167 58.4805 42.2265 179.2235 127 L 4.0515 8.2421 118.9463 57.9051 41.3546 179.5958 128 R 4.2170 8.0711 116.8337 58.4738 30.1016 178.2445 129 T 4.2187 7.7169 108.3505 62.0181 69.6329 175.0345 130 L 4.1441 7.1426 122.4200 54.4454 42.4698 177.5509 131 T 4.3669 8.2090 113.4309 61.1360 71.0226 175.4709 132 D 4.5530 8.6342 121.0714 57.6129 41.0611 178.5568 133 Q 4.1627 8.1059 119.4965 59.4404 29.1971 178.2202 134 Q 4.0425 8.1619 119.0317 59.0045 28.8235 178.7401 135 F 4.4149 8.3090 118.3233 59.6609 38.7296 176.9486 136 K 4.4134 7.8551 116.5034 56.4822 32.6511 177.2464 137 R 4.2024 7.3550 119.3083 56.4601 31.5861 175.9191 138 G 4.7169 8.3480 107.0284 45.0950 0.0000 170.7376 139 F 5.4202 8.3863 113.0935 55.4717 42.1230 172.7580 140 Y 5.1586 9.3123 121.3804 56.2176 41.2064 173.8086 141 H 4.6879 8.6909 127.2317 54.5370 30.4548 174.0155 142 P 3.9059 0.0000 0.0000 65.7516 31.6073 177.8651 143 D 4.4432 8.1528 116.9047 57.6629 40.7992 177.6840 144 T 4.0060 7.7791 107.4031 61.4368 69.3531 175.8501 145 K 3.7362 7.7479 119.8105 57.2426 32.6269 174.9847 146 E 4.4258 7.5120 121.0337 55.7342 31.2891 174.4810 147 I 4.9177 8.2588 125.5256 59.4122 39.8459 174.2757 148 I 4.5401 8.0096 129.6331 59.1066 40.7573 175.2177 149 T 4.6301 8.3178 118.5452 61.0093 69.9778 175.5516 150 L 3.8965 8.7192 123.2101 57.7328 41.5881 179.7779 151 E 4.2251 8.5430 117.7333 59.7215 29.5519 179.0788 152 N 4.7007 8.5072 118.7648 55.3292 38.5934 177.3183 153 A 4.2315 8.4786 122.8421 54.8801 18.4700 179.3370 154 L 4.1039 8.7047 119.3662 58.4267 42.2648 179.4419 155 G 2.0000 7.3922 104.9672 46.9656 0.0000 175.2624 156 L 3.0204 7.2309 122.9341 57.8181 42.0319 178.6023 157 Y 4.1061 8.0738 116.1024 60.0757 37.9463 178.1438 158 V 3.5130 7.4838 119.8096 65.5535 31.5296 177.6286 159 W 4.1213 7.9814 128.0168 60.8306 30.5648 177.2155 160 H 3.3316 8.7156 118.3834 59.1540 29.2953 177.0036 161 S 4.0791 8.1951 116.8520 62.3423 62.7019 176.6123 162 H 4.1817 7.9921 117.8510 58.1427 28.5911 177.3802 163 H 3.7485 7.8327 120.8827 59.5843 29.4419 177.0919 164 H 3.7016 7.5305 117.8018 58.4911 28.4471 177.8970 165 I 3.6092 7.6601 121.5629 64.2995 36.9191 178.3446 166 A 4.0837 8.0632 123.1758 54.6257 18.0786 179.2478 167 H 4.0148 7.7243 114.7157 59.1583 28.6791 178.0529 168 I 3.8022 7.4185 121.7379 64.6268 36.8840 178.6703 169 T 3.9873 8.0625 110.6423 64.5986 68.6333 176.6353 170 E 3.9337 8.2506 121.6119 59.0562 29.2610 178.9148 171 L 3.7973 7.4610 118.8572 58.2232 42.5697 178.6321 172 S 3.9639 8.0645 113.0147 61.3222 62.0820 176.1479 173 R 3.9346 7.8709 120.6575 59.0323 29.8523 178.7006 174 R 4.0908 7.5810 115.3492 56.6994 29.9122 176.9033 *176 G 3.8168 7.8115 103.2742 44.3504 0.0000 173.5883 177 W 4.7668 7.5584 120.1957 55.6121 30.1817 176.8033 178 S 4.3991 8.6393 114.3357 59.2067 62.3684 174.6003 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 5 N 8.42 4.85 0.00 2.78 3.19 0.00 0.00 6.98 6.97 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 6 L 7.83 4.03 0.00 1.72 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 7 S 8.84 4.37 0.00 3.79 3.64 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 8 Y 7.58 4.96 0.00 3.14 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 P 0.00 4.38 0.00 2.20 2.23 0.00 3.89 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.98 0.00 10 I 7.74 4.53 2.00 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.94 0.95 0.00 0.00 11 G 8.06 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 12 E 8.23 4.26 0.00 1.55 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 1.56 1.87 0.00 13 Y 6.29 3.70 0.00 2.33 2.30 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 14 K 7.34 3.99 0.00 1.47 1.40 0.00 1.72 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.11 1.24 7.81 15 P 0.00 4.54 0.00 2.03 2.02 0.00 3.45 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.07 0.00 16 R 8.49 4.71 0.00 1.86 1.82 0.00 3.32 0.00 0.00 3.39 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.88 0.00 17 E 8.73 4.08 0.00 1.95 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 18 S 7.92 4.57 0.00 3.95 3.84 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 19 I 8.02 4.35 1.86 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.75 0.68 0.00 0.00 20 S 8.18 4.36 0.00 3.96 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 8.36 3.78 0.00 1.84 1.80 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.50 1.53 7.81 22 E 7.99 3.83 0.00 1.99 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.32 0.00 23 Q 7.88 3.51 0.00 1.83 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.57 0.00 0.00 0.00 0.00 0.00 1.38 1.16 0.00 24 K 7.76 3.85 0.00 1.74 1.54 0.00 0.61 0.00 0.00 1.01 0.00 0.00 2.56 0.00 0.00 2.46 0.00 0.00 0.00 0.00 1.23 1.37 7.81 25 D 8.23 4.40 0.00 2.67 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 26 K 8.06 3.98 0.00 1.88 1.79 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.55 7.81 27 W 8.30 4.47 0.00 3.56 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 28 I 8.08 3.70 2.09 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.19 0.94 0.00 0.00 29 Q 8.04 3.98 0.00 2.18 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 30 V 7.94 3.66 2.35 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 0.95 0.00 0.00 1.10 0.00 0.00 31 L 8.43 4.06 0.00 1.73 1.62 0.55 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.12 4.02 0.00 2.13 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 2.35 2.38 0.00 33 E 8.02 4.25 0.00 2.23 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 34 V 7.44 3.55 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 1.10 0.00 0.00 1.00 0.00 0.00 35 P 0.00 4.15 0.00 2.36 2.07 0.00 3.80 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 2.09 1.89 0.00 36 A 7.93 3.98 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 37 K 7.91 3.95 0.00 1.88 1.86 0.00 1.73 0.00 0.00 1.59 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.63 7.81 38 L 8.17 3.90 0.00 1.68 1.78 0.87 0.49 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 39 K 8.26 3.90 0.00 1.92 1.95 0.00 1.69 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.47 7.81 40 Q 8.02 4.13 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 2.41 2.63 0.00 41 A 7.69 4.14 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 42 V 7.57 4.07 2.19 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 1.05 0.00 0.00 0.93 0.00 0.00 43 E 8.24 4.15 0.00 2.15 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 2.38 2.35 0.00 44 V 7.06 3.83 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 0.73 0.00 0.00 1.03 0.00 0.00 *46 T 7.36 4.06 4.13 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 1.08 0.00 0.00 47 D 8.37 4.33 0.00 2.66 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 48 S 7.85 4.17 0.00 3.99 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 49 Q 7.38 3.77 0.00 1.76 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.68 0.00 50 L 8.21 4.13 0.00 1.82 1.72 0.89 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.56 5.04 0.00 2.79 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 52 T 7.72 4.56 4.74 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 1.39 0.00 0.00 53 P 0.00 4.70 0.00 2.06 2.13 0.00 3.65 0.00 0.00 4.07 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 54 Y 8.90 4.36 0.00 3.09 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 R 6.78 4.44 0.00 1.84 1.84 0.00 2.61 0.00 0.00 2.82 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 56 D 8.29 4.44 0.00 2.59 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.01 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 58 G 7.18 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 0.00 0.00 0.00 59 W 8.29 5.13 0.00 3.59 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 60 T 9.22 4.91 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 61 V 8.76 3.67 2.31 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 1.08 0.00 0.00 1.11 0.00 0.00 62 R 8.24 3.81 0.00 2.02 1.92 0.00 3.24 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 63 Q 8.04 3.85 0.00 2.31 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.58 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 64 V 8.03 3.60 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 1.04 0.00 0.00 1.26 0.00 0.00 65 V 7.82 3.49 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 0.88 0.00 0.00 0.93 0.00 0.00 66 H 7.91 4.30 0.00 3.19 3.28 0.00 5.69 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 67 H 8.39 4.17 0.00 2.80 3.38 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.13 3.86 0.00 1.80 1.57 0.84 0.72 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 69 A 7.52 3.96 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 70 D 7.93 4.49 0.00 2.91 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 71 S 8.38 4.46 0.00 3.93 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 72 H 8.36 4.52 0.00 3.39 3.33 0.00 5.89 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *74 N 8.15 4.46 0.00 2.74 2.75 0.00 0.00 6.63 7.57 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 75 S 7.93 3.81 0.00 3.17 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 76 Y 7.18 3.10 0.00 2.04 2.42 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 0.00 77 I 7.55 3.54 1.92 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 1.62 0.53 0.83 0.00 0.00 78 R 7.77 3.66 0.00 1.70 0.98 0.00 2.95 0.00 0.00 2.69 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.61 0.00 79 F 8.39 3.87 0.00 3.03 3.06 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 130 L 7.14 4.14 0.00 1.26 1.31 0.35 1.00 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 0.00 131 T 8.21 4.37 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 132 D 8.63 4.55 0.00 2.71 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 0.00 133 Q 8.11 4.16 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.90 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 134 Q 8.16 4.04 0.00 2.26 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 135 F 8.31 4.41 0.00 3.31 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 K 7.86 4.41 0.00 1.96 1.90 0.00 1.78 0.00 0.00 1.89 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.72 1.67 7.81 137 R 7.36 4.20 0.00 1.90 1.86 0.00 3.07 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.85 0.00 138 G 8.35 4.72 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 0.00 0.00 0.00 139 F 8.39 5.42 0.00 3.18 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 0.00 140 Y 9.31 5.16 0.00 3.04 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 0.00 141 H 8.69 4.69 0.00 3.26 3.02 0.00 5.65 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 P 0.00 3.91 0.00 2.06 2.14 0.00 3.58 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 2.09 2.14 0.00 143 D 8.15 4.44 0.00 2.67 2.71 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 0.00 0.00 0.00 0.00 144 T 7.78 4.01 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 1.06 0.00 0.00 145 K 7.75 3.74 0.00 2.21 2.07 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.46 7.81 146 E 7.51 4.43 0.00 2.07 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 2.24 2.26 0.00 147 I 8.26 4.92 1.96 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 1.19 1.10 0.93 0.00 0.00 148 I 8.01 4.54 1.64 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 1.14 1.27 -0.09 0.00 0.00 149 T 8.32 4.63 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 1.22 0.00 0.00 150 L 8.72 3.90 0.00 1.99 1.84 0.89 0.18 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 0.00 151 E 8.54 4.23 0.00 2.31 2.19 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 2.60 2.48 0.00 152 N 8.51 4.70 0.00 2.91 3.05 0.00 0.00 6.52 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 153 A 8.48 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 154 L 8.70 4.10 0.00 2.14 2.16 0.82 1.55 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 0.00 155 G 7.39 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.23 3.02 0.00 1.20 1.66 0.75 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 157 Y 8.07 4.11 0.00 3.22 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 V 7.48 3.51 1.71 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 0.97 0.00 0.00 0.76 0.00 0.00 159 W 7.98 4.12 0.00 3.53 3.37 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 0.00 160 H 8.72 3.33 0.00 3.38 3.49 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 S 8.20 4.08 0.00 4.09 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 0.00 162 H 7.99 4.18 0.00 3.15 3.30 0.00 5.62 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 H 7.83 3.75 0.00 1.90 2.38 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 H 7.53 3.70 0.00 3.01 3.14 0.00 5.68 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 0.00 165 I 7.66 3.61 1.74 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.62 0.87 0.00 0.00 166 A 8.06 4.08 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 H 7.72 4.01 0.00 2.99 2.49 0.00 5.64 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 168 I 7.42 3.80 2.01 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 1.61 0.91 0.96 0.00 0.00 169 T 8.06 3.99 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 1.26 0.00 0.00 170 E 8.25 3.93 0.00 2.35 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 2.42 2.37 0.00 171 L 7.46 3.80 0.00 1.63 1.89 0.79 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 172 S 8.06 3.96 0.00 4.16 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 0.00 173 R 7.87 3.93 0.00 1.82 2.01 0.00 3.28 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 174 R 7.58 4.09 0.00 1.89 1.87 0.00 3.25 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 *176 G 7.81 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 0.00 177 W 7.56 4.77 0.00 3.44 3.02 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 0.00 178 S 8.64 4.40 0.00 3.92 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 * Residues marked with a * may have inaccurate shift predictions.