NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 3.9596 8.1733 120.0545 56.1885 34.7891 173.6646 3 F 5.1512 8.0308 119.6174 56.3782 40.4345 173.8343 4 Y 5.4620 9.5213 121.4556 56.4286 42.5548 174.2696 5 T 5.2860 9.4055 110.9948 60.2137 72.4700 172.8737 6 I 5.0739 8.2089 121.7225 58.9989 40.7342 175.7943 7 S 4.2614 8.8235 120.8929 59.1045 63.4888 175.8981 8 S 4.2564 8.9452 118.2400 61.3424 62.6354 176.6654 9 K 4.0152 8.2729 121.3036 60.7564 31.6991 178.3846 10 Y 3.6626 7.8323 120.3603 59.5506 38.4928 178.1420 11 I 3.8195 7.6025 121.0296 63.8883 37.0681 178.0974 12 E 3.9981 8.2809 119.1756 59.3778 29.6156 178.2527 13 Y 4.5490 8.4950 119.9687 61.1089 38.9229 178.4145 14 L 3.7780 7.5429 119.2370 57.5510 41.2787 179.6080 15 K 4.2438 7.8087 117.7246 58.8747 31.6687 179.0545 16 E 3.9844 7.8821 118.6082 58.4537 29.3088 178.1633 17 F 4.9105 7.7805 115.7132 56.9879 40.6153 175.5259 18 D 4.3832 7.4976 118.4831 53.2243 42.1926 175.2838 19 D 4.4533 8.6606 127.4467 55.6059 39.5785 178.1583 20 K 4.0014 8.5811 119.7300 58.7844 32.2586 177.8663 21 V 3.6366 7.5679 118.5725 62.3817 31.6924 173.9191 22 P 4.2595 0.0000 0.0000 62.6164 31.6266 175.8642 23 N 4.4070 8.6891 118.9416 54.0337 39.0826 174.7939 24 S 4.6642 8.8607 117.1133 59.7657 63.2892 174.0616 25 E 4.8810 7.9101 117.2947 54.5256 32.8113 174.5715 26 D 4.3723 8.0762 120.6134 51.9516 44.1871 173.9837 27 P 4.0851 0.0000 0.0000 65.8922 31.3821 176.8171 28 T 4.2151 8.0796 109.8308 62.0564 67.3008 173.8700 29 Y 4.6178 7.8800 119.2820 57.5844 36.7639 175.0352 30 Q 3.8130 8.0578 125.1241 58.6693 29.2764 178.3525 31 N 4.5805 7.3334 118.1314 51.3568 40.3296 173.3368 32 P 4.4914 0.0000 0.0000 62.1793 32.0163 176.1903 33 K 3.7756 8.6229 121.0275 56.5211 32.8252 175.8410 34 A 5.2992 8.2764 126.9815 50.3501 22.3479 175.0123 35 F 5.3371 9.7260 118.2719 55.6865 43.2024 174.3417 36 I 4.4870 9.2643 122.5585 60.4540 39.6669 175.3516 37 G 4.2453 8.5194 116.3017 45.4780 0.0000 171.9088 38 I 4.0431 7.9589 128.2686 61.5472 33.8467 174.4362 39 V 3.7328 7.5055 116.0230 63.5779 32.4699 176.5462 40 L 4.6868 7.5582 121.0710 53.6007 44.7979 173.3556 41 E 5.4950 8.5384 125.5326 53.4764 31.8699 174.3651 42 I 4.3602 8.4582 124.3165 61.3613 41.0498 173.9589 43 Q 3.2659 9.7044 123.8697 57.1252 26.1988 174.7078 44 G 3.8822 8.1262 101.2611 46.6755 0.0000 173.0698 45 H 4.8777 8.6554 117.5771 53.6193 30.4694 173.8045 46 K 4.9135 8.3894 123.5270 55.0895 34.1094 174.7180 47 Y 4.8728 8.8332 123.5655 56.4094 40.1429 174.8462 48 L 5.5054 8.8640 122.3100 52.0319 44.8812 175.7598 49 A 5.2002 8.6732 124.1337 49.4459 22.2573 174.0420 50 P 4.0594 0.0000 0.0000 62.5835 32.7271 175.7498 51 L 4.8307 8.2482 123.2763 54.9421 43.1056 176.3338 52 T 4.6653 8.3753 115.4297 60.8760 71.0707 173.4108 53 S 4.6598 8.6711 123.3954 57.0744 64.4318 172.1952 54 P 3.9255 0.0000 0.0000 63.2039 31.4515 176.0007 55 K 4.4526 6.8285 120.4425 53.6939 35.5093 177.3398 56 K 3.9361 8.3970 119.1157 59.3353 31.9752 179.0691 57 W 4.5797 7.7636 114.3615 58.0425 27.9611 177.2747 58 H 4.1290 7.3440 117.8022 58.1634 27.8358 176.9666 59 N 4.1445 7.6947 118.2164 55.9010 38.4261 175.9287 60 N 4.4717 7.9810 116.3953 54.9946 39.1069 175.3115 61 V 3.7741 7.3252 117.7206 62.4086 31.3151 175.7200 62 K 4.3089 8.3896 127.0647 55.9180 33.6919 177.5425 63 E 3.8905 8.8284 121.5312 59.4359 29.5748 178.6116 64 S 4.2435 7.9999 111.8420 60.6103 63.3107 174.6255 65 S 4.1898 7.8127 115.8375 58.6129 62.4163 174.1152 66 L 4.3099 8.4041 125.9724 56.9080 42.3660 178.3560 67 S 4.3506 8.2420 115.6470 61.3476 63.4319 174.3197 68 C 5.3774 7.9839 113.7753 57.9037 32.5293 173.4565 69 F 4.6992 8.9822 124.2024 56.2892 40.7444 174.8832 70 K 4.3743 8.1804 126.7146 56.4373 32.5692 177.0341 71 L 4.6142 8.7076 125.5858 54.1739 43.8210 175.2282 72 H 4.6228 6.5693 114.1283 54.5526 30.7575 173.3661 73 E 3.9921 8.0332 120.5179 56.2505 30.7983 175.9107 74 N 4.6501 8.8604 123.1022 55.1247 38.5978 175.6512 75 G 4.0263 9.1912 111.6260 45.6373 0.0000 173.4320 76 V 4.3465 7.3890 119.7063 59.8925 31.0592 173.8210 77 P 3.7842 0.0000 0.0000 64.8242 31.7093 177.8456 78 E 3.9998 7.9847 114.1391 58.0210 30.3642 176.9279 79 N 4.6020 7.8140 121.8733 51.8089 37.4058 173.9717 80 Q 4.2219 7.6779 118.6189 56.3424 29.7753 177.0950 81 L 4.6108 7.9995 122.2468 54.3690 42.9815 178.3946 82 G 3.8906 8.4328 109.9001 44.7274 0.0000 172.7269 83 L 5.2083 8.1168 117.2832 54.1942 44.7691 175.3272 84 I 4.5262 8.9974 121.4374 61.0663 38.6993 175.5237 85 N 5.1416 9.4360 126.6331 52.0056 37.1723 175.6507 86 L 4.2359 8.4244 123.2325 57.3455 42.3339 178.4751 87 K 3.7233 8.4069 118.1673 58.7917 32.3610 175.6970 88 F 5.3814 7.5454 117.9586 55.6515 40.6729 174.9570 *90 I 4.3754 8.1645 117.3871 59.9964 39.1941 173.1729 91 P 4.1675 0.0000 0.0000 61.9829 32.1882 175.0416 92 I 4.5385 7.8456 113.6138 57.8884 40.7800 174.6427 93 I 4.3577 7.1637 120.6527 59.3174 38.5865 176.5629 94 E 3.5934 8.8874 125.6276 59.5510 29.4389 179.1310 95 A 4.1592 7.7861 118.9163 53.6263 19.0030 177.2510 96 E 4.5616 8.5998 114.8386 55.7065 31.1017 175.5126 97 V 4.6766 7.2625 119.6280 61.0820 34.0356 174.9308 98 S 4.8368 9.0842 120.9111 56.5096 65.9717 172.9048 99 L 4.3046 8.7311 126.8949 54.2361 42.2690 176.8518 100 L 4.0239 8.7405 124.4199 54.3121 42.2529 178.1749 101 D 4.6876 8.3539 124.2866 53.3782 39.5634 176.6023 102 L 3.9834 7.7866 121.5815 57.7323 42.3291 179.4513 103 G 3.7534 8.0860 105.5078 47.0626 0.0000 173.1650 104 N 4.7247 7.8654 117.0838 50.5313 39.2159 171.3943 *106 P 4.0637 0.0000 0.0000 61.5436 32.6696 176.1835 107 N 4.3782 8.8147 120.7709 54.3119 38.4958 173.7443 108 T 4.8118 8.0274 114.8012 58.7212 72.3077 172.9631 109 P 4.1731 0.0000 0.0000 66.2139 31.4032 177.5311 110 Y 4.1460 7.9799 117.5656 60.4689 38.7553 176.7064 111 K 3.6507 8.0300 120.9943 59.5375 32.4604 179.3398 112 R 4.0966 8.1962 114.7617 56.9878 29.4770 178.2277 *114 L 3.8150 7.9829 120.5588 54.9011 43.6479 178.9214 115 Y 4.3191 7.4925 115.5620 60.6472 37.6155 178.1142 116 K 3.9988 7.9481 119.4480 59.6675 32.1506 179.2342 117 Q 4.1128 8.0855 117.5052 58.9313 28.6932 178.1871 118 L 3.9387 8.6747 121.6647 58.5466 42.0670 178.7693 119 Q 3.9621 8.2677 119.0995 59.3300 28.7607 178.1675 120 F 4.3098 7.9251 120.5797 61.3650 39.7022 176.8956 121 I 3.7624 8.2638 119.8085 64.2536 36.5046 178.3229 122 R 3.8026 8.5433 119.8708 59.1913 29.7387 177.6624 123 A 4.3885 7.8345 117.3818 52.7870 18.8802 177.2252 124 N 4.8050 7.4074 114.0395 52.4512 40.3819 176.5262 125 S 3.9135 7.7248 116.2763 61.9415 62.7007 176.5023 126 D 4.2103 7.9119 120.5395 57.3922 40.6329 178.5258 127 K 3.7426 8.0162 118.2644 59.8643 31.9513 179.0594 128 I 3.2760 7.2888 119.2229 64.2120 36.9419 178.1772 129 A 4.6903 8.1630 123.1719 54.7191 18.2238 179.5293 130 S 3.9784 8.8215 112.3726 61.5221 62.3942 176.6395 131 K 3.9890 8.3548 121.4663 59.4966 31.8236 179.5706 132 S 3.9805 8.2090 115.6048 61.6557 62.7757 175.7515 133 D 4.2033 8.1796 120.8027 58.0389 40.8256 178.4793 134 T 3.8407 7.8596 115.5358 66.5661 68.5040 176.1561 135 L 3.9403 8.2029 122.4507 58.1940 41.9937 179.0094 136 R 3.8804 7.8445 118.2719 59.5388 30.0372 177.7394 137 N 4.3644 8.0257 116.2054 56.6289 38.6092 177.0563 138 L 3.9248 8.0542 119.7402 57.9323 41.8838 179.5058 139 V 3.5758 8.2163 118.3502 66.3605 31.1689 178.0760 140 L 4.0694 8.6122 117.6311 58.0092 41.6266 179.3916 141 Q 4.2082 8.3659 116.6619 57.0335 28.5477 177.3791 142 G 3.9100 7.7557 107.2170 46.0581 0.0000 173.8235 143 K 4.4037 7.6483 117.1377 55.9616 32.4624 176.5025 *145 Q 3.9275 7.8956 116.5294 56.9360 29.8326 176.3385 146 G 3.8050 8.6698 105.4401 46.2302 0.0000 173.6072 147 T 4.2394 6.6983 110.5844 59.5134 70.9649 174.1170 148 C 4.4473 8.2202 119.2813 60.0095 28.6372 174.8971 149 N 4.4800 9.7841 122.6199 51.8861 36.5066 175.4751 150 F 4.7099 7.6671 124.0722 60.4340 39.3983 176.3884 151 S 4.1909 8.2931 111.8151 61.6144 62.1346 176.0105 152 L 3.9585 8.0614 122.1736 58.0499 41.9763 178.5917 153 L 3.9074 8.7934 119.8311 57.9826 41.3849 179.3151 154 E 4.0500 8.7659 117.6792 59.3661 29.4101 178.9040 155 E 4.0847 7.7973 118.1378 59.2566 30.1115 178.5653 156 K 4.0591 7.9523 118.0748 58.3214 31.9996 178.7209 157 Y 4.3309 8.0555 117.8653 60.3171 38.1220 178.5511 158 R 3.9625 7.0887 118.7495 58.1536 29.8578 177.4775 159 D 4.5093 7.7202 117.5536 54.6531 40.8580 177.6091 160 F 3.2585 8.5057 124.1668 61.3154 39.3956 178.0501 161 G 3.6878 7.9096 104.5245 45.5940 0.0000 173.4077 162 K 4.0380 7.6504 125.3187 56.2174 33.0270 176.1940 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 2 K 8.17 3.96 0.00 1.52 1.51 0.00 1.54 0.00 0.00 1.68 0.00 0.00 2.85 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.39 7.81 3 F 8.03 5.15 0.00 2.98 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 4 Y 9.52 5.46 0.00 2.95 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 9.41 5.29 4.39 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 1.34 0.00 0.00 6 I 8.21 5.07 1.73 0.00 0.00 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.17 0.92 0.00 0.00 7 S 8.82 4.26 0.00 3.96 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 8 S 8.95 4.26 0.00 3.96 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 9 K 8.27 4.02 0.00 2.43 2.31 0.00 1.90 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.63 1.67 7.81 10 Y 7.83 3.66 0.00 2.41 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 11 I 7.60 3.82 2.08 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.52 1.01 0.00 0.00 12 E 8.28 4.00 0.00 2.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 13 Y 8.50 4.55 0.00 3.35 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.54 3.78 0.00 1.58 1.56 0.66 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 15 K 7.81 4.24 0.00 1.94 1.84 0.00 1.79 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.56 7.81 16 E 7.88 3.98 0.00 1.64 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 2.24 2.48 0.00 17 F 7.78 4.91 0.00 3.00 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 18 D 7.50 4.38 0.00 2.83 2.54 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 19 D 8.66 4.45 0.00 2.80 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 20 K 8.58 4.00 0.00 2.22 2.08 0.00 1.65 0.00 0.00 1.67 0.00 0.00 3.05 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.82 1.78 7.81 21 V 7.57 3.64 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 0.81 0.00 0.00 0.99 0.00 0.00 22 P 0.00 4.26 0.00 2.38 2.12 0.00 3.99 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 2.37 2.37 0.00 23 N 8.69 4.41 0.00 2.83 2.85 0.00 0.00 6.91 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 24 S 8.86 4.66 0.00 3.98 3.98 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 0.00 0.00 0.00 25 E 7.91 4.88 0.00 1.98 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 2.27 2.35 0.00 26 D 8.08 4.37 0.00 1.58 1.54 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 27 P 0.00 4.09 0.00 2.01 2.09 0.00 3.55 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 28 T 8.08 4.22 4.23 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 1.32 0.00 0.00 29 Y 7.88 4.62 0.00 3.08 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 30 Q 8.06 3.81 0.00 1.90 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.73 7.00 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 31 N 7.33 4.58 0.00 2.19 2.42 0.00 0.00 6.89 8.02 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 32 P 0.00 4.49 0.00 2.25 2.10 0.00 3.67 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 33 K 8.62 3.78 0.00 1.74 1.89 0.00 1.59 0.00 0.00 2.04 0.00 0.00 2.76 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.08 1.13 7.81 34 A 8.28 5.30 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 35 F 9.73 5.34 0.00 3.01 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 36 I 9.26 4.49 1.97 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.16 0.97 0.00 0.00 37 G 8.52 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 38 I 7.96 4.04 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.13 0.95 0.00 0.00 39 V 7.51 3.73 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 0.82 0.00 0.00 1.04 0.00 0.00 40 L 7.56 4.69 0.00 1.51 1.43 0.55 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.54 5.49 0.00 1.91 1.78 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 2.17 2.37 0.00 42 I 8.46 4.36 1.87 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 1.43 0.96 0.96 0.00 0.00 43 Q 9.70 3.27 0.00 2.10 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.46 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 44 G 8.13 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 45 H 8.66 4.88 0.00 3.35 3.02 0.00 5.59 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.39 4.91 0.00 1.58 1.61 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.41 7.81 47 Y 8.83 4.87 0.00 2.94 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 48 L 8.86 5.51 0.00 1.47 1.68 0.52 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.67 5.20 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 50 P 0.00 4.06 0.00 2.10 2.07 0.00 4.09 0.00 0.00 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.29 0.00 51 L 8.25 4.83 0.00 1.71 1.62 1.07 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.38 4.67 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 1.38 0.00 0.00 53 S 8.67 4.66 0.00 3.88 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 54 P 0.00 3.93 0.00 1.94 1.92 0.00 3.56 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.13 0.00 55 K 6.83 4.45 0.00 0.79 1.24 0.00 1.57 0.00 0.00 1.89 0.00 0.00 3.08 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.51 1.40 7.81 56 K 8.40 3.94 0.00 1.90 1.86 0.00 1.63 0.00 0.00 2.05 0.00 0.00 3.20 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.57 1.55 7.81 57 W 7.76 4.58 0.00 3.65 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 7.34 4.13 0.00 2.94 3.11 0.00 5.63 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 59 N 7.69 4.14 0.00 2.66 2.88 0.00 0.00 6.99 7.88 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 60 N 7.98 4.47 0.00 2.88 2.95 0.00 0.00 6.96 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 61 V 7.33 3.77 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 1.33 0.00 0.00 62 K 8.39 4.31 0.00 1.99 1.93 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.44 7.81 63 E 8.83 3.89 0.00 1.90 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 0.00 2.28 2.33 0.00 64 S 8.00 4.24 0.00 4.03 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 65 S 7.81 4.19 0.00 3.89 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 66 L 8.40 4.31 0.00 1.67 1.72 0.98 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.24 4.35 0.00 3.83 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 68 C 7.98 5.38 0.00 2.84 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 69 F 8.98 4.70 0.00 3.18 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 70 K 8.18 4.37 0.00 1.49 1.62 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.37 7.81 71 L 8.71 4.61 0.00 1.90 1.49 1.40 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 72 H 6.57 4.62 0.00 3.01 2.99 0.00 5.74 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 73 E 8.03 3.99 0.00 2.04 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 2.33 2.32 0.00 74 N 8.86 4.65 0.00 2.84 2.89 0.00 0.00 7.03 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 75 G 9.19 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 0.00 0.00 0.00 76 V 7.39 4.35 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 1.03 0.00 0.00 0.94 0.00 0.00 77 P 0.00 3.78 0.00 1.97 1.91 0.00 3.69 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 1.98 2.02 0.00 78 E 7.98 4.00 0.00 2.03 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 2.24 2.21 0.00 79 N 7.81 4.60 0.00 2.79 2.84 0.00 0.00 7.05 6.30 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 80 Q 7.68 4.22 0.00 2.01 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.14 7.28 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 81 L 8.00 4.61 0.00 1.46 1.57 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 82 G 8.43 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 83 L 8.12 5.21 0.00 1.86 1.65 0.97 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 84 I 9.00 4.53 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.82 1.01 0.00 0.00 85 N 9.44 5.14 0.00 2.92 3.11 0.00 0.00 6.59 6.73 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 86 L 8.42 4.24 0.00 1.85 1.76 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 87 K 8.41 3.72 0.00 1.40 1.83 0.00 1.08 0.00 0.00 1.40 0.00 0.00 2.46 0.00 0.00 2.65 0.00 0.00 0.00 0.00 1.10 0.21 7.81 88 F 7.55 5.38 0.00 3.11 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 *90 I 8.16 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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 0.00 134 T 7.86 3.84 4.35 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 1.21 0.00 0.00 135 L 8.20 3.94 0.00 1.80 1.84 0.96 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 136 R 7.84 3.88 0.00 1.31 1.85 0.00 2.54 0.00 0.00 2.88 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 137 N 8.03 4.36 0.00 3.02 2.88 0.00 0.00 7.12 6.10 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 0.00 138 L 8.05 3.92 0.00 1.89 1.73 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.22 3.58 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 1.06 0.00 0.00 140 L 8.61 4.07 0.00 1.84 1.76 0.96 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 141 Q 8.37 4.21 0.00 2.14 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.20 0.00 0.00 0.00 0.00 0.00 2.41 2.59 0.00 142 G 7.76 3.91 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 0.00 143 K 7.65 4.40 0.00 1.77 1.82 0.00 1.94 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.39 7.81 *145 Q 7.90 3.93 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.89 0.00 0.00 0.00 0.00 0.00 2.32 2.29 0.00 146 G 8.67 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 0.00 0.00 0.00 147 T 6.70 4.24 4.04 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 1.05 0.00 0.00 148 C 8.22 4.45 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 0.00 149 N 9.78 4.48 0.00 2.63 2.71 0.00 0.00 7.44 7.59 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 0.00 150 F 7.67 4.71 0.00 3.12 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 0.00 151 S 8.29 4.19 0.00 3.95 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 0.00 152 L 8.06 3.96 0.00 1.89 1.78 1.06 0.61 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 0.00 153 L 8.79 3.91 0.00 1.99 1.68 1.05 0.11 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 0.00 154 E 8.77 4.05 0.00 2.15 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 2.09 2.59 0.00 155 E 7.80 4.08 0.00 1.94 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.33 0.00 156 K 7.95 4.06 0.00 0.96 0.74 0.00 1.56 0.00 0.00 1.57 0.00 0.00 2.67 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.21 0.30 7.81 157 Y 8.06 4.33 0.00 3.23 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 158 R 7.09 3.96 0.00 1.60 1.82 0.00 2.92 0.00 0.00 3.16 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.56 0.00 159 D 7.72 4.51 0.00 2.99 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 0.00 160 F 8.51 3.26 0.00 3.38 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 0.00 161 G 7.91 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 0.00 162 K 7.65 4.04 0.00 1.61 1.59 0.00 1.55 0.00 0.00 1.70 0.00 0.00 3.05 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.31 1.31 7.81 * Residues marked with a * may have inaccurate shift predictions.