NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 K 4.3930 8.3149 122.0370 56.2755 33.5583 174.7369 7 I 4.2023 8.1012 127.5598 58.8460 41.0843 171.1786 8 E 4.5440 8.3941 126.6848 55.4084 30.9937 177.5633 9 S 4.7104 8.9554 119.6753 61.5195 63.3134 175.7753 10 E 4.5658 8.4293 116.6909 57.2370 29.7233 176.9288 11 E 4.6350 7.9809 119.7073 56.0679 30.1956 175.9292 12 Y 3.9469 7.2249 115.2555 57.2158 38.6125 175.7462 13 N 4.6078 8.6103 119.5924 56.0973 39.5422 174.9236 14 S 4.9427 7.8661 111.3395 57.4355 66.5189 172.3132 15 L 4.8643 8.1434 121.1826 54.3982 43.5625 174.8915 16 K 4.2019 7.8370 120.6777 55.3039 34.1133 174.6302 17 S 5.0037 8.1934 119.4391 58.5173 64.9100 175.8466 18 S 4.7200 8.9362 117.7812 58.1472 63.5944 174.5433 19 T 4.4276 7.5426 109.3917 62.1736 70.5825 174.5567 20 I 4.1313 7.7918 122.4934 62.1527 37.6726 175.7820 21 Q 4.7820 9.0473 124.0771 54.1843 32.8699 174.8510 22 T 4.7850 8.6350 119.1238 63.5875 69.4764 173.8720 23 I 4.7386 9.1009 119.0412 59.1804 41.5970 174.4793 24 G 4.5359 8.6939 109.6717 45.1181 0.0000 172.7447 25 T 4.9464 8.2531 110.0538 59.5983 71.5752 175.7381 26 S 4.3368 8.9025 117.8098 60.5642 63.0196 174.8561 27 D 4.5638 8.0563 118.6693 53.1603 39.5969 177.1457 28 G 3.8576 8.3216 108.6177 45.4672 0.0000 173.9501 29 G 3.9534 7.7852 109.2691 44.3346 0.0000 172.7795 30 S 5.1463 7.8710 113.9930 56.9165 67.1900 173.9704 31 G 4.3155 8.0791 105.6047 47.4059 0.0000 171.6935 32 I 5.1521 8.5622 121.4298 59.8306 40.6715 175.6025 33 G 4.3002 8.6355 112.7660 45.7331 0.0000 171.3659 34 Y 3.7523 7.7270 113.6921 58.8678 35.4975 170.8295 35 I 4.0791 7.3482 119.0831 60.8933 38.4579 175.3875 36 E 4.6688 8.8902 123.2622 53.7569 32.6529 175.4632 37 S 4.3503 8.5885 114.6996 60.5869 62.4786 174.9711 38 G 4.0713 9.2660 116.4229 45.2441 0.0000 173.3428 39 D 4.8841 7.9852 120.0357 54.7755 42.2621 174.9133 40 Y 5.4652 8.3740 117.6125 55.9257 41.9858 173.6014 41 L 4.9203 9.1522 120.6789 53.0844 44.8782 175.5098 42 V 4.3824 8.3306 122.4444 60.9569 34.4231 174.2228 43 F 5.1895 9.1301 126.6611 55.6483 41.3851 174.3183 44 N 4.8570 9.4074 122.3086 53.1934 39.3005 175.6269 45 K 3.8067 8.4564 120.0189 57.6173 30.0887 176.6065 46 I 3.9263 7.7746 120.3890 61.0363 38.2210 176.0089 47 N 4.9552 8.6450 127.3565 53.0329 38.9345 174.6508 48 F 4.0543 9.2833 125.1243 57.3712 39.6542 178.3911 49 G 3.8919 8.9604 110.3503 46.9287 0.0000 175.0845 50 N 4.5069 9.4035 118.5272 54.2678 39.2728 174.8677 51 G 4.0944 7.4038 103.6758 44.7169 0.0000 172.4005 52 A 4.9412 8.5685 123.1359 49.9832 22.4280 176.0089 53 N 5.1256 8.9615 118.4366 51.5546 39.3824 173.6327 54 S 5.2044 8.6173 113.2986 57.2859 66.6609 172.4102 55 F 5.2963 9.3728 127.3222 56.2707 42.6628 173.2632 56 K 4.8314 8.4030 126.4319 54.4005 35.2798 174.5021 57 A 4.9181 8.7540 128.2991 49.9594 22.9034 174.8996 58 R 4.5823 8.2374 121.9644 55.3869 31.0026 175.7265 59 V 5.2705 9.0398 119.4582 59.6427 36.4449 174.6322 60 A 4.7921 8.9567 124.0226 50.2558 22.6121 175.1810 61 S 3.9153 8.9081 115.3485 56.2992 66.1554 174.5931 62 G 3.0712 5.3800 113.8978 44.5882 0.0000 173.1971 63 A 4.2922 6.9956 122.6354 51.8355 18.9281 177.9369 64 D 4.8331 8.5768 118.7682 53.0077 39.8457 176.1439 65 T 4.7373 7.3909 108.3910 59.2065 71.9415 171.5459 66 P 4.6985 0.0000 0.0000 63.2369 32.5943 175.4168 67 T 4.6915 8.7153 118.4121 62.0095 71.3181 172.9823 68 N 5.1024 9.3207 124.6341 52.3883 40.7146 174.3110 69 I 4.2860 8.8624 125.1494 59.5402 39.0055 174.8235 70 Q 4.4685 8.7527 127.5048 55.3895 30.3967 175.5737 71 L 4.8074 8.6162 123.5577 53.3131 43.6563 175.5296 72 R 5.1102 8.8571 123.3912 54.2092 33.6514 175.0445 73 L 5.0246 8.8537 122.7968 54.4964 43.7257 176.4509 74 G 4.2507 10.8306 113.4137 45.7759 0.0000 173.4557 75 S 3.4976 6.8057 110.8983 56.1762 65.1442 174.1177 76 P 3.7837 0.0000 0.0000 64.6276 31.0168 177.6594 77 T 4.3838 7.3895 106.7242 61.0806 68.9776 174.8565 78 G 4.0967 7.3007 110.1775 45.5922 0.0000 173.2392 79 T 3.8492 8.5087 115.8649 64.3545 69.4338 173.3822 80 L 4.7028 8.5041 129.5503 54.4031 41.9799 176.1188 81 I 4.0963 8.1170 121.1194 60.6898 39.3464 175.5932 82 G 4.2945 7.2973 109.4896 46.7857 0.0000 171.9396 83 T 4.9623 8.1510 115.8291 61.9407 72.3557 173.5795 84 L 4.4733 8.7437 129.6770 54.3236 43.6131 175.1360 85 T 4.9667 8.5331 123.3075 62.0236 70.3381 174.1756 86 V 4.3101 8.9108 126.9763 61.1354 33.8238 175.0987 87 A 4.7969 8.4307 130.1172 50.1723 20.6364 176.2725 88 S 3.9319 8.4923 113.1802 59.5535 62.4403 174.0820 89 T 4.2222 7.9924 116.1650 60.9394 69.0617 174.9498 90 G 3.8794 7.8322 110.5513 44.7952 0.0000 174.3476 91 G 3.8319 7.1116 109.9170 44.9844 0.0000 173.5799 92 W 4.2118 8.2420 119.0004 58.6188 29.2038 177.2251 93 N 4.9258 8.1393 113.9073 52.8713 38.5018 174.2763 94 N 4.8197 7.4639 117.1668 51.9655 38.6793 173.7618 95 Y 4.5250 8.4089 120.9827 57.2993 39.3470 174.8076 96 E 4.8194 9.2325 121.6348 54.7200 34.6102 174.2171 97 E 4.8979 8.7161 121.2264 55.1944 30.8562 175.7769 98 K 4.7526 8.9770 123.9468 54.6566 35.8020 175.5216 99 S 5.4433 8.6684 118.4517 56.9915 66.8896 172.9419 100 C 5.0994 9.1072 116.2984 56.3849 33.2812 173.5197 101 S 5.0161 8.7537 115.0619 58.3958 63.6341 173.1664 102 I 5.0123 8.3075 114.7172 58.8086 41.2588 174.6444 103 T 3.9921 8.6615 114.5568 61.7127 69.5362 173.0273 104 N 4.6019 8.9371 124.4539 54.8847 39.5516 173.7944 105 T 4.6476 8.8611 121.9444 61.8958 72.1474 173.0932 106 T 4.7168 8.5313 115.1904 61.0041 72.5721 174.0023 107 G 3.6934 9.0196 108.3200 44.4218 0.0000 171.1559 108 Q 4.8343 8.1516 120.3278 54.9800 29.9607 175.1469 109 H 5.1582 8.9228 123.2853 53.7593 33.6302 173.0224 110 D 4.9558 8.9190 121.0196 54.5240 42.2997 174.8536 111 L 5.3603 9.1251 124.5070 53.5840 45.1954 174.4197 112 Y 5.0714 9.3784 124.2651 56.2672 40.7851 174.5511 113 L 4.8308 9.1290 125.3224 53.3032 43.6312 175.6338 114 V 4.8959 8.3556 124.8092 61.1069 33.9871 174.1616 115 F 5.3697 9.2815 127.0587 56.0592 41.0347 176.4756 116 S 4.5548 8.8663 116.9429 58.3114 63.8373 173.7463 117 G 4.1548 7.4339 106.0324 45.8087 0.0000 170.8759 118 P 4.9339 0.0000 0.0000 62.3614 32.2473 176.2583 119 V 4.5693 7.9561 117.5061 61.3885 33.8445 171.2711 120 N 5.1987 9.1116 121.1241 51.9920 40.6710 173.8275 121 I 5.0096 8.8435 123.6024 59.8271 41.1906 174.6254 122 D 4.6221 9.5543 130.2724 56.0872 42.2326 175.3954 123 Y 5.4247 7.0749 114.0319 56.1798 41.7247 172.3465 124 F 5.3160 8.6406 113.6457 55.4866 42.0013 173.5400 125 I 4.7992 8.5676 120.3878 59.7317 41.0482 174.2803 126 F 5.3117 8.8830 125.3417 56.5796 40.6800 174.4698 127 D 4.8121 9.2848 121.3507 53.4510 45.6953 173.8064 128 S 4.7169 8.5730 117.0695 56.7893 63.9883 174.0802 129 N 4.5343 8.9071 121.7345 53.9217 38.6576 175.8919 *130 G 3.7274 7.9431 113.2046 45.8117 0.0000 172.9874 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 6 K 8.31 4.39 0.00 1.61 1.62 0.00 1.17 0.00 0.00 1.38 0.00 0.00 2.59 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.05 1.16 7.81 7 I 8.10 4.20 0.56 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 0.99 0.03 0.31 0.00 0.00 8 E 8.39 4.54 0.00 1.91 2.22 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 2.29 2.21 0.00 9 S 8.96 4.71 0.00 4.41 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 10 E 8.43 4.57 0.00 2.21 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 2.40 2.30 0.00 11 E 7.98 4.63 0.00 2.19 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 2.23 2.22 0.00 12 Y 7.22 3.95 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 13 N 8.61 4.61 0.00 2.64 2.94 0.00 0.00 6.66 7.17 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 14 S 7.87 4.94 0.00 3.90 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 15 L 8.14 4.86 0.00 1.47 0.94 0.80 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.84 4.20 0.00 0.86 0.74 0.00 1.61 0.00 0.00 1.34 0.00 0.00 2.72 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.08 1.14 7.81 17 S 8.19 5.00 0.00 3.71 3.53 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 18 S 8.94 4.72 0.00 3.95 3.87 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 19 T 7.54 4.43 4.30 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 1.24 0.00 0.00 20 I 7.79 4.13 1.77 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 1.11 0.43 0.85 0.00 0.00 21 Q 9.05 4.78 0.00 2.12 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.31 1.94 0.00 22 T 8.63 4.78 4.30 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 1.29 0.00 0.00 23 I 9.10 4.74 1.97 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.03 1.11 0.00 0.00 24 G 8.69 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 0.00 0.00 0.00 0.00 25 T 8.25 4.95 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 0.89 0.00 0.00 26 S 8.90 4.34 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.56 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 28 G 8.32 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 0.00 0.00 0.00 29 G 7.79 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 30 S 7.87 5.15 0.00 4.04 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 31 G 8.08 4.32 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 0.00 32 I 8.56 5.15 1.99 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.29 0.88 0.00 0.00 33 G 8.64 4.30 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 0.00 34 Y 7.73 3.75 0.00 3.12 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 35 I 7.35 4.08 1.63 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.45 0.57 0.00 0.00 36 E 8.89 4.67 0.00 1.98 1.80 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 2.19 2.18 0.00 37 S 8.59 4.35 0.00 3.98 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 38 G 9.27 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 0.00 0.00 0.00 39 D 7.99 4.88 0.00 2.75 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.37 5.47 0.00 3.28 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 41 L 9.15 4.92 0.00 1.99 1.48 1.31 0.38 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 42 V 8.33 4.38 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 0.52 0.00 0.00 0.99 0.00 0.00 43 F 9.13 5.19 0.00 3.19 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 44 N 9.41 4.86 0.00 2.64 2.79 0.00 0.00 7.05 8.14 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 45 K 8.46 3.81 0.00 1.93 1.93 0.00 1.76 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.57 7.81 46 I 7.77 3.93 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.65 0.24 0.00 0.00 47 N 8.65 4.96 0.00 2.74 2.73 0.00 0.00 7.29 7.02 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 48 F 9.28 4.05 0.00 2.92 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 49 G 8.96 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 0.00 0.00 0.00 50 N 9.40 4.51 0.00 2.76 2.89 0.00 0.00 6.57 7.65 0.00 0.00 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 7.40 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 8.57 4.94 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 53 N 8.96 5.13 0.00 2.81 3.03 0.00 0.00 6.12 7.63 0.00 0.00 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 S 8.62 5.20 0.00 3.99 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 55 F 9.37 5.30 0.00 3.11 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 56 K 8.40 4.83 0.00 1.73 1.45 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.24 1.45 7.81 57 A 8.75 4.92 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 R 8.24 4.58 0.00 0.95 0.83 0.00 2.83 0.00 0.00 3.05 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.50 0.00 59 V 9.04 5.27 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 nan 0.00 0.00 0.99 0.00 0.00 60 A 8.96 4.79 0.24 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 61 S 8.91 3.92 0.00 3.66 3.54 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 0.00 62 G 5.38 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 0.00 0.00 0.00 63 A 7.00 4.29 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 64 D 8.58 4.83 0.00 2.75 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 65 T 7.39 4.74 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 1.23 0.00 0.00 66 P 0.00 4.70 0.00 2.11 2.09 0.00 3.72 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 1.99 2.00 0.00 67 T 8.72 4.69 4.33 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 1.45 0.00 0.00 68 N 9.32 5.10 0.00 2.64 2.71 0.00 0.00 6.46 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 69 I 8.86 4.29 1.79 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.92 0.42 0.00 0.00 70 Q 8.75 4.47 0.00 1.89 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 71 L 8.62 4.81 0.00 1.43 1.47 0.23 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 72 R 8.86 5.11 0.00 1.69 1.81 0.00 3.21 0.00 0.00 3.13 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.62 0.00 73 L 8.85 5.02 0.00 1.50 1.52 0.43 0.72 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 74 G 10.83 4.25 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 0.00 0.00 0.00 75 S 6.81 3.50 0.00 3.62 3.71 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 76 P 0.00 3.78 0.00 1.75 1.43 0.00 3.15 0.00 0.00 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.77 0.00 77 T 7.39 4.38 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 1.14 0.00 0.00 78 G 7.30 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 0.00 0.00 0.00 79 T 8.51 3.85 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 1.13 0.00 0.00 80 L 8.50 4.70 0.00 1.59 1.55 0.88 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 81 I 8.12 4.10 1.78 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 1.21 1.50 0.74 0.00 0.00 82 G 7.30 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 0.00 0.00 0.00 0.00 83 T 8.15 4.96 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 84 L 8.74 4.47 0.00 1.97 1.64 1.01 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 85 T 8.53 4.97 4.25 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 1.22 0.00 0.00 86 V 8.91 4.31 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 0.94 0.00 0.00 0.99 0.00 0.00 87 A 8.43 4.80 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 S 8.49 3.93 0.00 3.86 3.68 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 89 T 7.99 4.22 4.25 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 1.13 0.00 0.00 90 G 7.83 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 91 G 7.11 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 92 W 8.24 4.21 0.00 3.28 3.17 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 0.00 93 N 8.14 4.93 0.00 2.74 2.91 0.00 0.00 6.83 8.00 0.00 0.00 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 N 7.46 4.82 0.00 2.45 2.70 0.00 0.00 6.88 7.94 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 95 Y 8.41 4.52 0.00 2.85 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 96 E 9.23 4.82 0.00 1.81 1.75 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 2.19 2.22 0.00 97 E 8.72 4.90 0.00 1.84 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 98 K 8.98 4.75 0.00 1.62 1.66 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.51 7.81 99 S 8.67 5.44 0.00 3.71 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 0.00 100 C 9.11 5.10 0.00 2.98 3.03 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 0.00 101 S 8.75 5.02 0.00 3.94 3.94 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 0.00 102 I 8.31 5.01 1.98 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.04 1.04 0.00 0.00 103 T 8.66 3.99 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 0.00 104 N 8.94 4.60 0.00 2.74 2.79 0.00 0.00 6.95 7.70 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 0.00 105 T 8.86 4.65 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 0.06 0.00 0.00 106 T 8.53 4.72 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 1.31 0.00 0.00 107 G 9.02 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 Q 8.15 4.83 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.70 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 109 H 8.92 5.16 0.00 3.12 3.17 0.00 5.67 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.92 4.96 0.00 2.84 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 0.00 111 L 9.13 5.36 0.00 2.01 1.92 1.16 1.46 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 0.00 112 Y 9.38 5.07 0.00 2.82 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 0.00 113 L 9.13 4.83 0.00 1.71 1.12 0.63 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.36 4.90 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 1.16 0.00 0.00 0.97 0.00 0.00 115 F 9.28 5.37 0.00 3.11 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 0.00 116 S 8.87 4.55 0.00 3.93 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 0.00 117 G 7.43 4.15 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 0.00 0.00 0.00 118 P 0.00 4.93 0.00 2.28 2.13 0.00 3.51 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 1.93 0.00 119 V 7.96 4.57 2.23 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 nan 0.00 0.00 1.03 0.00 0.00 120 N 9.11 5.20 0.00 2.81 2.98 0.00 0.00 6.43 7.27 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 0.00 121 I 8.84 5.01 2.09 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 2.04 1.12 0.00 0.00 122 D 9.55 4.62 0.00 2.35 2.38 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 0.00 123 Y 7.07 5.42 0.00 2.99 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 F 8.64 5.32 0.00 2.49 2.83 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 0.00 125 I 8.57 4.80 1.81 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 1.11 0.73 0.89 0.00 0.00 126 F 8.88 5.31 0.00 2.99 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 0.00 127 D 9.28 4.81 0.00 2.82 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 0.00 128 S 8.57 4.72 0.00 3.81 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 0.00 129 N 8.91 4.53 0.00 2.75 2.87 0.00 0.00 7.09 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *130 G 7.94 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.