NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 3.9406 8.3549 109.7412 45.2083 0.0000 174.4019 2 L 4.1131 7.6548 120.9476 53.0956 42.1512 176.8327 3 F 4.5234 9.7959 127.1930 60.3324 40.8789 174.8761 4 D 4.5834 7.0388 118.4548 51.3328 39.5879 174.5406 5 A 4.1974 7.3151 120.2285 51.3422 22.4688 176.0885 *10 Q 4.1272 8.8291 124.3137 55.8746 30.6541 175.4809 11 F 4.6930 7.1547 114.9621 56.9587 39.6834 176.0165 12 V 4.1392 8.2324 118.8366 59.6911 32.6084 174.4091 13 P 4.5660 0.0000 0.0000 62.4398 32.0062 177.5299 14 A 3.4090 9.0478 124.1932 55.6346 18.2303 179.5072 15 D 4.7665 8.0851 112.3231 56.0625 41.1219 176.9254 16 Q 4.2745 7.8952 117.3507 56.4358 30.1330 176.8142 17 A 3.3228 7.2838 120.6827 53.5614 18.7405 175.9225 18 F 5.4751 7.6696 114.2367 55.5022 41.0243 174.3454 19 A 4.4272 9.3985 126.1786 51.4165 18.7978 176.2748 20 F 4.5428 8.6851 123.9502 58.6075 41.0162 174.0356 21 D 4.2535 6.1065 121.0095 53.7656 45.1539 174.1714 22 F 5.5230 7.5916 115.8211 55.6631 41.4375 173.2467 23 Q 4.3325 8.3789 119.3003 54.8468 32.2758 172.7523 24 Q 5.1038 8.6454 126.4948 54.7595 32.6054 175.1475 25 N 4.7492 9.4773 123.3811 53.4318 40.9395 175.2272 26 Q 3.3102 8.1555 128.0386 57.3365 27.4606 175.6103 27 H 4.6794 8.9518 123.1719 57.4591 28.9051 173.5778 28 D 5.0977 8.2697 121.5706 52.5294 42.6330 175.0333 29 L 5.1930 9.0833 126.4707 53.0622 45.5328 174.5885 30 N 5.2547 9.3793 124.5177 51.8758 41.5199 172.8720 31 L 4.5373 9.0074 127.7253 54.0292 43.6504 176.0413 32 T 5.1219 8.0656 117.6350 60.1746 71.5207 172.3213 33 W 5.3426 9.3807 127.5328 54.9791 32.8235 174.1150 34 Q 4.6450 9.3942 127.4206 55.2268 29.7149 174.5225 35 I 5.0166 8.6471 129.5196 59.4042 38.3513 175.9294 36 K 3.9128 8.9885 129.9244 56.4214 33.1709 175.7332 37 D 4.6799 8.8065 126.4362 56.1151 41.6114 176.3563 38 G 4.1152 9.5781 114.1781 45.1257 0.0000 172.0280 39 Y 5.1709 7.9144 116.0840 56.5112 41.6945 173.9466 40 Y 5.1994 8.3530 117.4978 56.3386 41.7905 173.4654 41 L 4.7348 8.5377 120.6364 53.2331 44.8405 175.4005 42 Y 4.3273 8.4599 120.8387 57.1751 38.3960 176.4060 43 R 3.5844 8.3331 126.3645 59.1523 30.1648 178.4187 44 K 4.1479 7.8969 113.9500 58.6529 32.6054 176.8866 45 Q 4.4535 7.7076 117.6677 56.0595 29.5486 176.0476 46 I 4.3755 7.4531 121.1156 61.2125 38.1865 175.7818 47 R 4.5795 9.3405 126.4971 55.0419 33.5648 173.4464 48 I 4.9316 8.6032 127.1740 59.9567 39.5458 175.0611 49 T 4.7288 8.8892 124.4478 61.0052 71.4714 171.8643 50 P 4.9632 0.0000 0.0000 62.2227 33.2959 175.7029 51 E 4.2747 8.6858 120.6886 55.1770 32.8529 175.4759 52 H 4.2562 9.1711 122.4977 56.2769 25.9042 174.3971 53 A 5.0883 7.7564 117.9392 50.7319 22.7018 176.5641 54 K 4.5411 9.6889 119.7875 54.7796 34.8625 175.5303 55 I 4.9865 8.3346 125.4147 59.1942 39.6086 175.6355 56 A 4.2883 8.6358 127.8141 51.3805 19.2355 177.3928 57 D 4.2778 8.7448 120.0363 54.9775 41.3875 176.6243 58 V 3.9965 8.3114 123.6329 61.7093 32.4680 174.5818 59 Q 4.4697 8.5066 128.3918 54.3073 29.8525 174.6204 60 L 4.2931 8.4364 126.3245 53.2784 42.4711 175.2466 61 P 4.4163 0.0000 0.0000 62.5531 31.8575 175.7862 62 Q 4.3820 8.5927 118.7142 55.6963 29.0908 175.9714 63 G 4.2913 8.7185 115.3239 44.3972 0.0000 172.5153 64 V 4.2240 7.6631 112.8340 59.9210 34.4099 174.9794 65 W 4.8969 8.5406 121.3496 55.4606 30.7876 175.4147 66 H 5.0866 9.5357 124.5648 54.2566 32.1578 172.5809 67 E 5.9800 8.4402 120.9446 54.0502 33.0026 174.2318 68 D 4.9376 8.4288 118.4854 52.2130 42.3521 175.9873 69 E 4.0319 9.1456 118.0643 58.3903 29.7623 177.6555 70 F 4.2675 9.3259 118.5304 59.5554 39.7587 176.4454 71 Y 4.6158 8.4479 114.0393 56.9610 40.0758 178.0760 72 G 3.8777 8.7793 113.2143 46.2883 0.0000 175.7360 73 K 5.4336 9.1947 114.3389 55.0233 36.0452 176.4154 74 S 4.7833 9.0205 117.3989 57.2568 68.0799 173.0793 75 E 3.7474 8.4863 125.3508 55.5283 30.7903 175.2465 76 I 4.6225 8.6119 119.5340 59.2765 42.1109 173.2810 77 Y 5.3507 8.4658 119.1941 56.3742 40.9891 175.3971 78 R 4.6782 8.3588 120.7692 55.4010 34.1970 172.8472 79 D 4.7887 9.4953 120.1836 54.7299 39.5969 173.4221 80 R 5.1972 7.2988 118.4834 55.1635 33.9059 173.4760 81 L 4.6287 8.9879 124.9680 53.5567 45.2886 175.0635 82 T 4.9863 8.5814 122.4199 61.6509 71.4470 173.2040 83 L 4.6541 9.3423 128.7433 52.6331 44.5562 173.3645 84 P 4.9910 0.0000 0.0000 62.1415 32.3852 176.1428 85 V 4.4732 9.4198 124.8756 61.3640 34.9772 174.1230 86 T 4.9256 8.5005 123.7382 62.2542 70.5378 173.6800 87 I 4.4230 9.0043 129.4142 60.1896 37.5255 176.5672 88 N 4.4844 9.1061 125.9154 55.8731 38.9118 175.8234 89 Q 4.8119 7.8754 117.7913 54.6819 33.4626 173.5471 90 A 5.0199 8.8676 126.0915 51.1881 22.9645 176.5699 91 S 4.6982 9.1262 119.5518 57.6402 64.9140 173.8681 92 A 4.2099 8.3236 124.6260 53.8958 18.2482 178.0095 93 G 3.8947 8.9915 111.2109 44.8938 0.0000 173.2036 94 A 4.5284 7.9647 122.1607 52.1993 19.6310 177.1997 95 T 5.0783 8.9940 109.9451 59.8365 73.2365 172.3525 96 L 4.9516 8.8667 124.3808 53.6544 44.9194 175.2215 97 T 4.6175 9.1822 124.2578 62.5602 69.9554 173.9822 98 V 4.7849 8.9846 128.2715 61.5118 33.5961 174.4798 99 T 5.7768 9.2534 125.1140 61.3488 71.7498 172.9162 100 Y 5.2419 7.7834 121.7465 56.4486 41.8789 172.9097 101 Q 4.6897 8.4414 119.5349 54.9016 33.0274 173.2242 102 G 4.3381 8.5329 111.0870 45.0532 0.0000 170.4602 103 S 5.3714 8.4546 114.4255 57.1795 68.2023 173.0364 104 A 4.5059 8.8867 122.2798 50.0757 21.1018 177.4740 105 D 4.3901 9.0698 121.7088 57.7276 41.0871 178.8228 106 A 4.2560 7.9357 118.1840 53.2280 18.8744 177.0460 107 G 3.9298 9.2959 104.0764 45.2649 0.0000 173.7502 108 F 4.6466 7.3963 119.8214 56.8581 43.4040 173.2945 109 C 4.9857 7.7306 123.3076 57.3979 29.7110 173.1105 110 Y 4.2699 8.6088 122.2268 56.2680 38.9376 174.0042 111 P 4.5260 0.0000 0.0000 61.2038 32.7726 173.9821 112 P 4.5051 0.0000 0.0000 62.8569 31.9169 176.0528 113 E 4.6300 8.8238 121.6671 54.7491 33.4614 175.1305 114 T 4.9902 8.2604 118.2700 61.8826 71.8075 173.3383 115 K 4.5913 9.3211 126.2387 54.8377 35.2755 175.4473 116 T 4.8126 8.3594 120.1565 62.0305 70.2819 173.9593 117 V 3.6912 8.8408 128.4887 60.5255 33.2071 173.1158 118 P 4.6773 0.0000 0.0000 62.4475 31.5705 175.8909 119 L 4.6598 8.4847 125.6215 53.6826 42.9698 177.1801 120 S 4.4436 9.9850 120.0143 57.5335 63.7992 173.9999 121 E 4.2255 8.5688 124.5684 57.2726 30.2214 176.6784 122 V 4.3089 8.8506 125.9606 61.7403 34.6807 174.5448 123 V 3.9993 8.9910 121.1848 61.7144 32.2161 177.3810 124 A 3.6507 7.6721 122.6686 54.0281 19.9291 177.4562 125 N 4.6609 7.7892 116.8758 53.2306 39.4018 174.7276 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 G 8.35 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 0.00 0.00 0.00 2 L 7.65 4.11 0.00 1.82 1.63 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 3 F 9.80 4.52 0.00 2.90 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 4 D 7.04 4.58 0.00 2.62 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 5 A 7.32 4.20 1.17 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 0.00 0.00 *10 Q 8.83 4.13 0.00 1.66 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.86 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 11 F 7.15 4.69 0.00 2.66 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 12 V 8.23 4.14 2.06 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 0.70 0.00 0.00 0.69 0.00 0.00 13 P 0.00 4.57 0.00 2.20 2.04 0.00 3.63 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 14 A 9.05 3.41 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 15 D 8.09 4.77 0.00 2.72 2.79 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 0.00 0.00 0.00 16 Q 7.90 4.27 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.27 2.26 0.00 17 A 7.28 3.32 -0.30 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 18 F 7.67 5.48 0.00 3.17 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 19 A 9.40 4.43 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 20 F 8.69 4.54 0.00 2.80 2.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 D 6.11 4.25 0.00 2.41 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 22 F 7.59 5.52 0.00 2.94 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 23 Q 8.38 4.33 0.00 1.89 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.17 0.00 24 Q 8.65 5.10 0.00 2.16 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.43 0.00 25 N 9.48 4.75 0.00 2.65 2.63 0.00 0.00 7.33 7.33 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 26 Q 8.16 3.31 0.00 2.33 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.84 0.00 0.00 0.00 0.00 0.00 2.29 2.34 0.00 27 H 8.95 4.68 0.00 3.23 3.42 0.00 6.06 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 8.27 5.10 0.00 2.73 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 29 L 9.08 5.19 0.00 1.73 1.62 1.13 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 30 N 9.38 5.25 0.00 2.76 2.56 0.00 0.00 6.99 6.66 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 31 L 9.01 4.54 0.00 1.79 1.34 1.10 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 32 T 8.07 5.12 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 0.89 0.00 0.00 33 W 9.38 5.34 0.00 3.22 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 34 Q 9.39 4.64 0.00 2.14 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.51 6.78 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 35 I 8.65 5.02 2.12 0.00 0.00 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 1.38 1.07 1.30 0.00 0.00 36 K 8.99 3.91 0.00 1.55 1.17 0.00 1.38 0.00 0.00 1.04 0.00 0.00 2.81 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.38 7.81 37 D 8.81 4.68 0.00 2.73 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 38 G 9.58 4.12 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 0.00 0.00 0.00 39 Y 7.91 5.17 0.00 3.03 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 40 Y 8.35 5.20 0.00 3.05 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 41 L 8.54 4.73 0.00 1.49 1.31 0.24 0.04 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 42 Y 8.46 4.33 0.00 2.83 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 43 R 8.33 3.58 0.00 0.93 1.64 0.00 3.01 0.00 0.00 3.14 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 44 K 7.90 4.15 0.00 1.84 1.86 0.00 1.49 0.00 0.00 1.61 0.00 0.00 2.66 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.35 1.35 7.81 45 Q 7.71 4.45 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.89 0.00 0.00 0.00 0.00 0.00 2.19 2.44 0.00 46 I 7.45 4.38 1.88 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.39 0.96 0.00 0.00 47 R 9.34 4.58 0.00 1.86 1.74 0.00 3.09 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 48 I 8.60 4.93 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.89 0.96 0.00 0.00 49 T 8.89 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 1.28 0.00 0.00 50 P 0.00 4.96 0.00 2.24 2.03 0.00 3.70 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 51 E 8.69 4.27 0.00 1.88 1.77 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 2.17 2.36 0.00 52 H 9.17 4.26 0.00 3.37 3.43 0.00 5.60 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.76 5.09 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 54 K 9.69 4.54 0.00 1.59 1.71 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.38 7.81 55 I 8.33 4.99 1.88 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 1.29 0.62 0.93 0.00 0.00 56 A 8.64 4.29 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 D 8.74 4.28 0.00 2.69 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 58 V 8.31 4.00 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 0.82 0.00 0.00 1.03 0.00 0.00 59 Q 8.51 4.47 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.71 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 60 L 8.44 4.29 0.00 1.74 1.73 0.96 1.15 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 61 P 0.00 4.42 0.00 2.08 1.99 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 62 Q 8.59 4.38 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 63 G 8.72 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 64 V 7.66 4.22 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 0.80 0.00 0.00 0.90 0.00 0.00 65 W 8.54 4.90 0.00 3.19 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 H 9.54 5.09 0.00 2.73 2.90 0.00 5.52 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.44 5.98 0.00 1.98 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 2.15 2.08 0.00 68 D 8.43 4.94 0.00 3.02 2.96 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 69 E 9.15 4.03 0.00 1.78 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 2.24 1.80 0.00 70 F 9.33 4.27 0.00 2.93 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.45 4.62 0.00 3.10 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 72 G 8.78 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 73 K 9.19 5.43 0.00 1.74 2.08 0.00 1.53 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.45 1.46 7.81 74 S 9.02 4.78 0.00 3.86 3.79 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 0.00 0.00 0.00 75 E 8.49 3.75 0.00 1.25 1.23 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 1.58 1.47 0.00 76 I 8.61 4.62 1.54 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.39 0.36 0.00 0.00 77 Y 8.47 5.35 0.00 2.77 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 78 R 8.36 4.68 0.00 1.71 1.90 0.00 3.39 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 79 D 9.50 4.79 0.00 2.92 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 80 R 7.30 5.20 0.00 1.80 1.76 0.00 3.35 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.86 0.00 81 L 8.99 4.63 0.00 1.59 1.55 -0.11 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.58 4.99 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 1.20 0.00 0.00 83 L 9.34 4.65 0.00 1.99 1.70 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 84 P 0.00 4.99 0.00 1.99 1.97 0.00 3.68 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 85 V 9.42 4.47 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 1.06 0.00 0.00 0.99 0.00 0.00 86 T 8.50 4.93 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 87 I 9.00 4.42 1.86 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 1.23 1.30 0.89 0.00 0.00 88 N 9.11 4.48 0.00 2.75 2.90 0.00 0.00 6.69 7.80 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 89 Q 7.88 4.81 0.00 2.04 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.46 2.30 0.00 90 A 8.87 5.02 1.23 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 0.00 0.00 91 S 9.13 4.70 0.00 3.79 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 0.00 92 A 8.32 4.21 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.99 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 94 A 7.96 4.53 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 95 T 8.99 5.08 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 1.24 0.00 0.00 96 L 8.87 4.95 0.00 1.64 1.45 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 97 T 9.18 4.62 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 1.20 0.00 0.00 98 V 8.98 4.78 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 1.21 0.00 0.00 0.98 0.00 0.00 99 T 9.25 5.78 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 1.16 0.00 0.00 100 Y 7.78 5.24 0.00 2.77 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 0.00 101 Q 8.44 4.69 0.00 2.02 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.71 0.00 0.00 0.00 0.00 0.00 2.44 2.51 0.00 102 G 8.53 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 0.00 0.00 0.00 0.00 103 S 8.45 5.37 0.00 3.19 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 0.00 104 A 8.89 4.51 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 9.07 4.39 0.00 2.72 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 0.00 106 A 7.94 4.26 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 0.00 107 G 9.30 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 0.00 108 F 7.40 4.65 0.00 1.51 1.89 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 0.00 109 C 7.73 4.99 0.00 2.61 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 0.00 110 Y 8.61 4.27 0.00 3.10 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 0.00 111 P 0.00 4.53 0.00 2.13 2.01 0.00 3.87 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 112 P 0.00 4.51 0.00 1.86 1.92 0.00 3.54 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.03 0.00 113 E 8.82 4.63 0.00 1.16 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 0.00 0.00 0.00 2.09 2.12 0.00 114 T 8.26 4.99 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 1.22 0.00 0.00 115 K 9.32 4.59 0.00 1.21 1.37 0.00 1.51 0.00 0.00 1.70 0.00 0.00 3.36 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.17 1.41 7.81 116 T 8.36 4.81 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 1.16 0.00 0.00 117 V 8.84 3.69 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 -0.33 0.00 0.00 0.74 0.00 0.00 118 P 0.00 4.68 0.00 2.00 1.99 0.00 3.20 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 119 L 8.48 4.66 0.00 1.64 1.57 nan 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 0.00 120 S 9.99 4.44 0.00 3.80 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 0.00 121 E 8.57 4.23 0.00 1.97 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 2.29 2.53 0.00 122 V 8.85 4.31 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 0.75 0.00 0.00 0.91 0.00 0.00 123 V 8.99 4.00 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 0.72 0.00 0.00 0.94 0.00 0.00 124 A 7.67 3.65 1.25 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 0.00 125 N 7.79 4.66 0.00 2.69 2.68 0.00 0.00 6.73 7.56 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 * Residues marked with a * may have inaccurate shift predictions.