NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.6336 8.2649 122.4629 52.0521 20.2380 175.7009 5 V 4.3704 9.1144 112.1634 59.2982 36.5469 173.5572 6 L 4.8053 8.2580 122.3972 53.9128 44.5038 175.7520 7 T 4.3106 8.7553 115.0807 61.8630 70.4306 174.6241 8 G 4.0985 7.0820 108.5364 46.1383 0.0000 171.8600 9 V 4.9849 8.3686 118.7691 59.7456 33.4524 175.0441 10 A 5.0108 8.7095 127.0402 50.2101 21.8597 175.1849 11 T 5.3828 8.2337 108.8157 59.1869 72.4898 172.6369 12 D 4.8097 8.3069 120.5442 52.6996 44.8928 175.1369 13 K 4.6130 8.4486 123.1551 56.8830 33.7948 176.7364 14 S 4.7166 8.5024 115.4907 59.3885 64.1888 173.0248 15 E 5.3345 8.0555 117.4122 54.7018 32.7863 174.7939 16 A 4.6176 8.9316 122.4496 50.2635 22.5586 175.5278 17 K 4.6490 8.8248 121.3157 54.6337 34.8800 175.3096 18 V 4.6681 8.0683 120.3938 59.7902 35.1699 174.5830 19 T 4.8408 8.4991 122.6457 61.7277 70.9487 173.7195 20 V 4.2205 8.5836 127.7839 61.7803 32.8712 174.5168 21 L 4.7447 9.3364 129.3555 54.0382 43.4506 177.5951 22 G 3.9859 8.6815 112.2068 46.2213 0.0000 173.7878 23 I 4.0291 7.7867 120.7840 60.2817 37.8431 176.2730 24 S 4.5920 8.6934 120.6036 58.4614 63.8729 174.8913 25 D 4.6899 8.3335 128.0245 52.9747 39.2345 175.1181 26 K 4.7461 7.3126 120.3556 53.8144 36.3636 174.7366 27 P 4.2995 0.0000 0.0000 64.3973 30.8169 177.0475 28 G 4.0789 9.0777 110.6313 45.5190 0.0000 175.1747 29 E 4.3520 8.0968 118.8343 59.1072 29.5505 178.6364 30 A 3.9128 8.0484 120.1061 55.0524 18.3626 179.3526 31 A 4.1278 7.6546 119.7367 55.1289 18.3210 180.0693 32 K 3.9811 7.9135 117.5265 59.4401 32.0012 179.6168 33 V 3.4072 7.5861 118.0302 66.0285 31.4257 177.6996 34 F 4.3595 7.6202 116.1602 59.2559 38.9016 178.1542 35 R 3.9364 8.3577 119.0656 59.0458 29.6170 178.0784 36 A 4.0039 7.8159 120.2759 55.3385 18.5011 179.6414 37 L 4.0002 7.6886 117.2369 57.8164 41.5001 179.3400 38 A 4.2533 7.8767 118.7757 53.9181 18.6896 178.9454 39 D 4.4512 8.6277 117.6373 59.2027 41.4379 178.1845 40 A 4.4523 7.5801 119.0482 51.5827 21.1298 176.6165 41 E 4.6115 8.4703 112.1682 56.1567 30.8268 176.2245 42 I 3.7746 7.3825 119.4959 60.5397 37.6832 174.9031 43 N 4.5482 8.6520 128.2688 52.9225 38.4474 174.3098 44 I 4.0219 8.0765 119.5985 61.4321 38.9195 173.4002 45 D 4.6403 8.9755 121.2316 55.5739 42.3792 176.3063 46 M 4.4704 7.4010 116.2179 55.2577 34.2123 176.0482 47 V 5.1351 8.1485 120.5481 61.5110 35.4555 174.7464 48 L 4.6082 8.9350 126.4925 53.6704 46.0525 174.4065 49 Q 4.7010 8.7804 125.0931 53.7046 30.8347 172.7951 50 N 4.7715 9.1478 123.2157 53.9408 41.8147 174.2872 51 V 4.4728 7.2424 113.8523 60.6946 36.4065 175.6112 *52 F 4.9182 8.0090 118.9757 55.1265 39.9898 175.2689 *56 D 4.6302 8.3857 115.2093 55.6775 42.7469 177.7122 57 G 3.9189 8.8038 105.2553 45.8929 0.0000 172.3205 58 T 5.2009 7.6189 107.4165 60.1425 73.1122 171.8466 59 T 4.7253 8.8324 116.1328 60.7145 72.0441 171.5780 60 D 5.4150 8.5443 121.3338 52.3912 44.4782 175.2920 61 I 4.8706 8.3268 123.2291 59.6475 40.4422 174.6600 62 T 5.0518 8.9456 116.4808 59.8739 71.7648 173.0373 63 F 5.6221 8.6723 120.6416 55.1945 41.9546 173.6791 64 T 5.4018 9.0767 107.7536 59.3759 72.3575 172.5701 65 C 5.2171 8.3539 115.2299 56.3933 33.1676 171.4436 66 P 4.7373 0.0000 0.0000 63.0567 31.4939 177.3723 67 R 3.9874 9.0519 121.4496 59.5797 30.4548 178.7014 68 S 4.0707 8.2637 111.3412 61.5684 62.2998 174.7273 69 D 4.8564 8.3861 117.7908 54.0907 40.7219 178.7946 70 G 4.1849 8.2298 112.9702 48.5875 0.0000 176.7773 71 R 3.7447 8.1198 120.0820 59.7371 29.8440 182.1490 72 R 4.0608 7.9296 116.9798 59.1115 29.7529 179.0547 73 A 4.8815 8.2597 125.3291 49.8457 15.8132 177.0272 74 M 5.1481 8.5209 135.0000 57.6371 33.4503 178.4222 75 E 3.9316 7.8608 115.2534 58.8723 30.1711 178.6823 76 I 4.1843 7.5117 122.6272 62.0954 36.1299 175.8232 77 L 4.4963 8.3843 128.6717 55.9976 40.8267 177.3987 78 K 4.1244 8.3461 122.3445 57.7746 32.0009 183.1117 79 K 4.2436 7.4619 121.1567 55.4227 32.5504 178.0871 80 L 4.0877 8.6246 121.6624 55.1488 39.5319 176.9693 81 Q 3.3823 7.0772 116.9576 58.4987 29.0365 177.7801 82 V 3.6967 7.3534 115.2534 61.6985 32.2340 175.5413 83 Q 3.1362 7.2545 120.0028 56.2842 25.6244 171.7620 *86 W 4.7929 7.4093 114.8651 56.3688 29.9692 176.1332 87 T 4.1308 8.8307 114.4417 66.1829 67.9227 174.7566 88 N 4.8720 7.8495 116.6017 53.5326 42.5167 172.8008 89 V 4.8354 8.7359 126.5692 61.9335 33.5794 175.3595 90 L 4.7782 9.1939 130.8142 54.0949 43.1839 171.4883 91 Y 5.2007 8.1920 119.9650 56.5315 43.0835 173.6240 92 D 4.6137 7.3427 123.0590 52.9526 45.1307 174.9750 93 D 4.9124 8.5692 126.3429 52.5519 40.6171 176.1142 94 Q 4.7169 8.7078 116.6907 56.4031 28.9445 175.4158 95 V 4.5350 7.7783 118.2197 61.1291 33.9052 175.2512 96 G 4.0736 8.9707 114.6647 44.3244 0.0000 171.4051 97 K 5.1595 8.6717 128.0418 54.3783 33.9077 175.2787 98 V 4.9045 8.4016 121.0770 59.7423 34.4946 175.0552 99 S 5.3208 9.0058 120.6997 56.6412 66.8292 172.5972 100 L 5.0825 9.3463 125.8074 53.5573 44.0025 175.1510 101 V 4.5819 8.5522 126.5727 60.8845 33.8080 175.3914 102 G 4.1632 7.9390 113.1490 46.9463 0.0000 171.5941 103 A 4.3323 8.1633 121.7189 53.1249 22.7722 177.3599 104 G 4.0667 8.5155 109.1684 46.2277 0.0000 175.4843 105 M 4.1662 7.6908 120.5715 57.4555 32.2489 178.7283 106 K 3.8962 8.0175 119.7263 59.4231 32.2844 177.6492 107 S 4.4260 7.5667 109.4002 59.3637 63.6228 174.1028 108 H 4.8840 8.0839 118.5774 52.7647 28.7979 172.2095 109 P 4.3186 0.0000 0.0000 65.3850 31.2860 178.5935 110 G 3.8162 8.2617 105.5802 48.0057 0.0000 175.0331 111 V 3.7770 7.9525 120.8825 66.5405 31.5505 178.3705 112 T 3.8680 7.9203 114.2575 66.4270 68.3473 176.5322 113 A 4.0601 8.2877 123.1328 55.2010 18.3462 179.6078 114 E 4.1873 9.1049 119.3419 58.7215 29.2125 178.9279 115 F 3.9420 8.5895 121.2312 61.9860 39.3380 177.3264 116 M 4.3493 8.1936 117.4594 58.4154 31.2228 178.6911 117 E 4.0071 8.4098 118.6884 59.0482 29.0151 178.9201 118 A 3.9813 8.6580 121.3654 55.4464 18.3489 179.7498 119 L 4.2154 7.5445 116.1462 57.5591 41.6477 179.8398 120 R 3.9526 7.8961 115.9312 59.1826 29.3287 178.1882 121 D 4.5496 8.1392 117.6138 55.5139 40.7480 176.9343 122 V 4.2004 6.7352 118.7513 61.4965 32.0134 174.5648 123 N 4.0509 7.8924 114.6709 54.3695 37.6625 174.4005 124 V 4.2145 7.8021 116.2776 60.8369 33.0278 174.1499 125 N 4.4995 8.6204 126.3292 52.9297 39.5464 174.2451 126 I 4.1853 8.2138 126.7990 60.6281 37.0079 175.2768 127 E 4.3153 8.6249 126.4852 58.3573 30.2981 177.0036 128 L 4.6737 7.6058 119.3864 53.8612 45.7674 174.2807 129 I 5.1348 8.0905 123.6157 59.8566 41.4676 175.1901 130 S 4.4803 9.2504 121.0918 57.8604 65.3656 173.1069 131 T 5.1728 8.3652 116.7850 60.3886 72.0369 172.5365 132 S 4.5287 9.2368 115.9873 57.4093 65.6226 174.6572 133 E 3.9742 8.9056 118.7490 58.9235 29.1672 178.6277 134 I 4.6517 7.2860 108.7287 59.0759 38.1468 174.9651 135 R 4.6580 7.4052 117.9582 55.9302 34.2921 173.3372 136 I 4.6414 8.4761 126.6377 59.6228 40.0838 174.6438 137 S 5.2911 8.7862 122.9945 56.8199 66.4366 173.8084 138 V 4.9221 8.6408 115.2296 59.7699 36.4982 174.1509 139 L 5.0658 8.5392 122.7157 53.2980 44.2777 175.8962 140 I 4.9539 8.8408 118.4153 59.6284 42.1038 175.0156 141 R 4.1606 8.5114 120.0266 56.2360 29.8493 173.1650 142 E 4.0053 9.1037 127.0221 59.6209 29.2993 179.6162 143 D 4.4047 8.1066 118.8489 58.6729 40.1012 179.4643 144 D 4.7330 8.2861 118.4620 55.1702 40.9244 178.0865 145 L 3.8970 7.8504 122.4192 58.5633 42.0582 178.4853 146 D 4.3791 8.0812 116.6606 56.8286 41.2287 177.8591 147 A 3.9511 7.9660 121.0624 54.7991 18.4626 179.1829 148 A 3.7699 8.4109 119.4789 55.3499 18.5568 179.5693 149 A 3.9077 7.9209 119.1567 55.3968 18.3892 180.1019 150 R 3.8562 7.9903 116.1149 59.4656 30.1292 179.1915 151 A 3.9746 7.8786 120.4648 55.0953 18.2112 179.6522 152 L 3.7720 7.9300 117.5066 58.1119 41.4035 179.3787 153 H 4.1629 8.1484 117.6299 59.6492 28.7506 178.0742 154 E 4.1512 7.9596 118.7612 61.1583 29.6592 180.4292 155 Q 4.3585 8.3446 120.8637 58.8014 28.7919 178.1840 *156 F 4.5012 7.7009 124.9887 58.8112 38.6480 178.7075 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 4 A 8.26 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 9.11 4.37 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 0.71 0.00 0.00 0.95 0.00 0.00 6 L 8.26 4.81 0.00 1.46 1.55 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.76 4.31 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 8 G 7.08 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 9 V 8.37 4.98 1.98 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 0.34 0.00 0.00 0.87 0.00 0.00 10 A 8.71 5.01 1.27 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 0.00 0.00 0.00 11 T 8.23 5.38 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 12 D 8.31 4.81 0.00 2.71 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 13 K 8.45 4.61 0.00 1.73 1.79 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.42 7.81 14 S 8.50 4.72 0.00 3.89 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 15 E 8.06 5.33 0.00 2.02 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 0.00 2.31 2.27 0.00 16 A 8.93 4.62 0.94 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 0.00 0.00 17 K 8.82 4.65 0.00 1.60 1.43 0.00 1.49 0.00 0.00 1.54 0.00 0.00 2.77 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.16 1.26 7.81 18 V 8.07 4.67 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 0.43 0.00 0.00 0.31 0.00 0.00 19 T 8.50 4.84 4.19 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 0.00 0.00 1.22 0.00 0.00 20 V 8.58 4.22 1.69 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 -0.34 0.00 0.00 0.80 0.00 0.00 21 L 9.34 4.74 0.00 1.76 1.59 0.94 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 22 G 8.68 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.79 4.03 1.79 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 -0.07 0.87 0.00 0.00 24 S 8.69 4.59 0.00 4.02 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 0.00 25 D 8.33 4.69 0.00 2.70 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 26 K 7.31 4.75 0.00 1.94 1.86 0.00 1.60 0.00 0.00 1.85 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.59 1.45 7.81 27 P 0.00 4.30 0.00 2.08 2.05 0.00 3.65 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 28 G 9.08 4.08 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 0.00 0.00 0.00 29 E 8.10 4.35 0.00 2.05 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 0.00 2.55 2.71 0.00 30 A 8.05 3.91 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 31 A 7.65 4.13 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.91 3.98 0.00 2.09 2.05 0.00 1.85 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.53 1.71 7.81 33 V 7.59 3.41 1.47 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 0.11 0.00 0.00 0.20 0.00 0.00 34 F 7.62 4.36 0.00 3.05 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 R 8.36 3.94 0.00 2.00 2.05 0.00 3.24 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 1.65 1.71 0.00 36 A 7.82 4.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.69 4.00 0.00 1.62 1.68 0.94 0.10 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 38 A 7.88 4.25 1.40 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 0.00 0.00 0.00 39 D 8.63 4.45 0.00 2.87 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 A 7.58 4.45 1.34 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 0.00 0.00 41 E 8.47 4.61 0.00 1.92 1.90 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 2.21 2.28 0.00 42 I 7.38 3.77 1.94 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 0.99 0.00 0.00 43 N 8.65 4.55 0.00 2.74 2.76 0.00 0.00 7.24 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 44 I 8.08 4.02 2.09 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 1.17 0.70 0.84 0.00 0.00 45 D 8.98 4.64 0.00 2.72 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 46 M 7.40 4.47 0.00 2.06 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 2.63 2.50 0.00 47 V 8.15 5.14 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 0.94 0.00 0.00 0.78 0.00 0.00 48 L 8.93 4.61 0.00 1.67 1.51 0.92 0.83 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 49 Q 8.78 4.70 0.00 2.05 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.88 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 50 N 9.15 4.77 0.00 2.68 2.64 0.00 0.00 6.94 7.71 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 51 V 7.24 4.47 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 0.70 0.00 0.00 0.93 0.00 0.00 *52 F 8.01 4.92 0.00 2.29 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 0.00 0.00 0.00 *56 D 8.39 4.63 0.00 2.68 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 57 G 8.80 3.92 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 0.00 0.00 0.00 58 T 7.62 5.20 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 59 T 8.83 4.73 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 1.20 0.00 0.00 60 D 8.54 5.42 0.00 2.57 2.47 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 61 I 8.33 4.87 1.74 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 1.30 0.75 1.06 0.00 0.00 62 T 8.95 5.05 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 1.17 0.00 0.00 63 F 8.67 5.62 0.00 3.43 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 T 9.08 5.40 4.34 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 1.19 0.00 0.00 65 C 8.35 5.22 0.00 3.14 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 66 P 0.00 4.74 0.00 2.28 2.27 0.00 3.81 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.05 0.00 67 R 9.05 3.99 0.00 1.92 2.12 0.00 3.19 0.00 0.00 3.12 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.76 0.00 68 S 8.26 4.07 0.00 3.85 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 69 D 8.39 4.86 0.00 2.87 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 70 G 8.23 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 0.00 0.00 0.00 0.00 71 R 8.12 3.74 0.00 1.85 1.85 0.00 3.27 0.00 0.00 3.26 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.19 0.00 72 R 7.93 4.06 0.00 1.73 1.96 0.00 3.22 0.00 0.00 3.34 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.20 0.00 73 A 8.26 4.88 1.49 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 0.00 0.00 74 M 8.52 5.15 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 1.95 0.00 75 E 7.86 3.93 0.00 1.93 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 2.24 2.16 0.00 76 I 7.51 4.18 1.92 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 1.44 0.93 0.95 0.00 0.00 77 L 8.38 4.50 0.00 1.91 2.28 1.17 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.35 4.12 0.00 1.71 1.80 0.00 1.81 0.00 0.00 1.68 0.00 0.00 3.01 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.37 1.25 7.81 79 K 7.46 4.24 0.00 1.67 1.72 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.81 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.28 7.81 80 L 8.62 4.09 0.00 1.69 1.58 1.07 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.08 3.38 0.00 2.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.01 6.88 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 82 V 7.35 3.70 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 0.69 0.00 0.00 0.88 0.00 0.00 83 Q 7.25 3.14 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.48 0.00 0.00 0.00 0.00 0.00 2.18 2.13 0.00 *86 W 7.41 4.79 0.00 3.67 3.46 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 0.00 0.00 0.00 0.00 87 T 8.83 4.13 4.46 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 0.00 0.00 0.00 1.26 0.00 0.00 88 N 7.85 4.87 0.00 2.84 2.64 0.00 0.00 7.09 7.71 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 89 V 8.74 4.84 2.18 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 0.93 0.00 0.00 1.36 0.00 0.00 90 L 9.19 4.78 0.00 1.32 1.51 0.92 0.57 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 91 Y 8.19 5.20 0.00 2.98 2.73 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 92 D 7.34 4.61 0.00 2.71 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 0.00 0.00 0.00 0.00 93 D 8.57 4.91 0.00 2.70 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.71 4.72 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 95 V 7.78 4.54 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 0.72 0.00 0.00 0.90 0.00 0.00 96 G 8.97 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 97 K 8.67 5.16 0.00 1.87 1.71 0.00 1.65 0.00 0.00 1.75 0.00 0.00 3.02 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.26 7.81 98 V 8.40 4.90 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 1.02 0.00 0.00 99 S 9.01 5.32 0.00 3.78 3.74 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 0.00 100 L 9.35 5.08 0.00 2.08 1.74 0.99 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.55 4.58 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 0.89 0.00 0.00 0.95 0.00 0.00 102 G 7.94 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 0.00 0.00 0.00 103 A 8.16 4.33 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 0.00 104 G 8.52 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 0.00 105 M 7.69 4.17 0.00 2.11 2.24 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 2.62 2.48 0.00 106 K 8.02 3.90 0.00 1.80 1.91 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.37 7.81 107 S 7.57 4.43 0.00 4.07 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 0.00 108 H 8.08 4.88 0.00 3.17 3.24 0.00 5.63 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 0.00 109 P 0.00 4.32 0.00 2.26 2.31 0.00 3.76 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 2.07 2.03 0.00 110 G 8.26 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 0.00 111 V 7.95 3.78 2.21 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 1.16 0.00 0.00 0.99 0.00 0.00 112 T 7.92 3.87 4.34 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 1.14 0.00 0.00 113 A 8.29 4.06 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 E 9.10 4.19 0.00 2.20 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 2.48 2.41 0.00 115 F 8.59 3.94 0.00 3.27 3.18 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 0.00 116 M 8.19 4.35 0.00 2.16 2.28 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 3.06 0.00 117 E 8.41 4.01 0.00 2.17 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 2.34 2.46 0.00 118 A 8.66 3.98 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 0.00 119 L 7.54 4.22 0.00 1.76 1.70 0.61 0.82 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 0.00 120 R 7.90 3.95 0.00 2.07 2.19 0.00 2.82 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 1.62 1.86 0.00 121 D 8.14 4.55 0.00 2.87 2.75 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 0.00 122 V 6.74 4.20 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 0.74 0.00 0.00 0.90 0.00 0.00 123 N 7.89 4.05 0.00 2.81 2.79 0.00 0.00 6.87 8.37 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 0.00 124 V 7.80 4.21 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 0.80 0.00 0.00 0.96 0.00 0.00 125 N 8.62 4.50 0.00 2.70 2.70 0.00 0.00 7.23 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 0.00 126 I 8.21 4.19 1.90 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 1.49 0.72 1.00 0.00 0.00 127 E 8.62 4.32 0.00 2.02 1.98 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 2.32 2.25 0.00 128 L 7.61 4.67 0.00 1.66 1.43 0.90 1.01 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 0.00 129 I 8.09 5.13 1.83 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.77 0.81 0.00 0.00 130 S 9.25 4.48 0.00 3.78 3.65 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 0.00 0.00 0.00 0.00 131 T 8.37 5.17 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 1.02 0.00 0.00 132 S 9.24 4.53 0.00 3.88 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 0.00 133 E 8.91 3.97 0.00 2.00 2.04 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 2.39 2.24 0.00 134 I 7.29 4.65 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.57 0.90 0.00 0.00 135 R 7.41 4.66 0.00 1.86 1.71 0.00 3.02 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.54 0.00 136 I 8.48 4.64 1.52 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.47 -0.55 0.00 0.00 137 S 8.79 5.29 0.00 3.84 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 0.00 138 V 8.64 4.92 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 0.86 0.00 0.00 1.19 0.00 0.00 139 L 8.54 5.07 0.00 1.58 1.53 0.88 0.54 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 0.00 140 I 8.84 4.95 1.87 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 1.16 0.78 1.01 0.00 0.00 141 R 8.51 4.16 0.00 1.76 1.87 0.00 3.28 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.19 0.00 142 E 9.10 4.01 0.00 2.07 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 2.31 2.35 0.00 143 D 8.11 4.40 0.00 2.81 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 0.00 144 D 8.29 4.73 0.00 2.80 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 0.00 145 L 7.85 3.90 0.00 1.81 1.78 0.97 1.03 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 0.00 146 D 8.08 4.38 0.00 2.75 2.63 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 0.00 0.00 0.00 0.00 147 A 7.97 3.95 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 0.00 148 A 8.41 3.77 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 0.00 149 A 7.92 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 R 7.99 3.86 0.00 2.09 1.97 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 151 A 7.88 3.97 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 0.00 152 L 7.93 3.77 0.00 1.69 1.55 0.57 0.12 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 0.00 153 H 8.15 4.16 0.00 3.39 3.33 0.00 5.66 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 E 7.96 4.15 0.00 2.09 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 2.26 2.22 0.00 155 Q 8.34 4.36 0.00 2.19 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.75 6.73 0.00 0.00 0.00 0.00 0.00 2.36 2.48 0.00 *156 F 7.70 4.50 0.00 2.32 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.