NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.0538 8.3149 121.6959 56.2063 33.2772 174.9116 5 Y 4.8380 8.3673 123.0405 56.0382 40.7044 172.1323 6 N 4.8960 8.8716 120.8348 50.3014 43.0068 176.1376 7 K 4.3127 8.4611 124.0053 58.3907 32.0547 177.5659 8 E 4.0958 8.3487 116.7519 59.2642 29.6326 178.5254 9 F 4.6175 8.3258 112.5025 57.9453 38.0244 177.2923 10 L 3.3547 7.9369 119.8108 57.7766 41.0775 179.1142 11 L 3.2872 7.2166 117.7292 57.5630 41.7267 178.3848 12 Y 4.0882 7.5945 119.0681 60.5773 38.9409 177.3148 13 L 3.9333 8.2418 121.3599 58.1412 42.0080 179.0838 14 A 4.0686 7.6363 119.9955 55.2299 18.2878 179.2822 15 G 3.4028 8.1793 104.7875 47.6491 0.0000 175.3697 16 F 3.7199 7.7250 122.7841 60.4874 39.1241 177.8061 17 V 3.8341 8.1691 117.7916 66.3019 31.3276 177.7386 18 D 4.6436 8.4644 117.6267 57.6286 40.6729 177.8366 19 G 3.8414 7.9565 106.3400 43.9946 0.0000 173.1654 20 D 4.6445 8.3556 132.1027 51.4181 42.2787 175.3435 21 G 4.1188 8.0931 107.8078 46.2690 0.0000 170.4887 22 S 4.8555 8.6783 123.2529 56.2718 64.8799 175.4176 23 I 4.9264 7.9430 128.2632 60.4704 35.8922 176.2005 24 I 4.0570 7.6756 116.6493 61.3235 39.1180 176.3644 25 A 5.2738 8.3580 124.9113 50.8772 22.2602 175.0455 26 Q 4.5795 9.5283 118.1316 55.3764 32.7199 172.7242 27 I 4.6497 8.2676 120.3603 59.4356 39.4360 174.7927 28 K 4.7916 9.2944 129.6566 54.0519 34.6423 174.2894 29 P 4.7105 0.0000 0.0000 63.3462 32.4756 174.7002 30 N 4.7965 8.8218 117.9195 54.0444 42.3580 174.9662 31 Q 4.0103 8.9539 119.6937 55.6174 27.6378 174.7243 32 S 5.2457 6.3698 114.0480 59.2370 66.0436 177.0966 33 Y 4.9871 8.8858 110.6121 57.8658 43.0985 175.2748 34 K 4.0734 7.3196 120.7385 55.9398 30.0998 179.5819 35 F 4.2794 9.1468 121.1750 58.0861 37.9510 172.8795 36 K 4.9685 8.1052 128.9416 55.2338 34.8257 176.4098 37 H 4.9808 8.5443 111.3080 54.5290 29.2073 171.0409 38 Q 4.4814 8.8252 122.5766 56.1535 33.2095 172.7347 39 L 5.0286 8.7353 127.0874 54.4496 43.7157 175.6018 40 S 5.0645 9.5240 114.3758 55.9764 67.3801 173.4625 41 L 5.0939 8.8557 123.3486 53.3130 44.5080 175.4388 42 T 4.8720 9.4588 120.7636 61.6997 72.5039 172.8688 43 F 5.1178 8.8185 127.9341 57.2271 41.8769 173.9793 44 Q 5.1100 7.7848 124.2566 55.7836 33.2825 173.1918 45 V 4.5810 7.8613 122.2259 61.8934 35.2299 172.8566 46 T 5.3011 8.1106 122.6901 59.6120 69.1526 172.7646 47 Q 4.7384 8.4110 127.5122 53.6109 31.9705 175.3711 48 K 4.2039 8.6477 120.1667 57.3274 32.7396 178.0224 49 T 3.9628 8.5440 118.0779 64.3819 67.6608 175.2128 50 Q 4.2618 8.3487 120.0232 58.9696 28.7299 178.0535 51 R 4.6987 7.7321 115.1748 53.7601 29.1328 175.4617 52 R 4.2286 8.0463 122.4628 57.7220 30.4620 178.1444 53 W 4.4585 8.0780 117.8927 59.8129 27.8283 177.8022 54 F 3.7559 6.8451 120.9294 60.7819 38.2735 177.0437 55 L 4.1230 7.6439 118.2269 57.0922 41.3497 179.1430 56 G 3.7730 8.4893 105.9769 46.8272 0.0000 175.9457 57 K 3.9558 7.8167 122.1306 59.1531 32.1443 178.7902 58 L 3.6309 7.7654 119.7640 57.7485 41.4949 179.5852 59 V 3.9490 7.5038 117.0080 66.4562 31.2316 177.8182 60 D 4.3945 7.6386 117.2098 57.0342 40.7545 178.4827 61 E 3.8935 8.5107 118.7330 59.5316 29.6715 179.2201 62 I 4.0898 8.2994 118.0398 62.2829 37.2162 176.7767 63 G 4.2100 8.0642 113.1723 45.4889 0.0000 174.0235 64 V 3.8656 7.6877 119.6452 59.8677 32.5962 176.1011 65 G 3.8660 7.6307 109.3144 44.2976 0.0000 171.4187 66 Y 4.8049 7.0735 115.7462 55.8208 41.4062 174.0755 67 V 4.2741 8.3265 121.1401 61.9178 33.3317 175.0048 68 R 4.4814 8.7730 127.7669 54.4445 32.3920 174.1562 69 D 4.8501 8.7279 127.2734 52.4776 41.3948 176.9029 70 R 4.6965 8.0926 128.4930 55.2302 31.3916 176.7415 71 G 3.9313 8.1478 113.9688 46.3413 0.0000 175.8727 72 S 4.3430 8.6558 119.2041 59.6177 63.1802 173.5785 73 V 4.9518 7.5852 120.8650 61.7193 35.2430 173.7493 74 S 5.3196 8.6457 120.0691 57.3791 67.9510 172.4351 75 D 4.8157 8.6637 118.8118 52.4869 42.9899 173.9575 76 Y 4.4354 9.1156 123.6451 57.4314 40.3953 174.2056 77 I 4.2881 7.5291 126.8043 59.2946 39.9577 175.2035 78 L 3.7746 8.5957 130.2215 55.2205 41.5467 175.6056 79 S 4.2737 8.0018 117.0136 59.8411 62.4158 168.0440 80 E 3.4705 8.5618 122.0159 58.3542 29.1438 177.7758 81 I 3.2903 7.5476 122.0766 63.4282 37.3259 176.5113 82 K 3.7783 7.1970 116.6138 59.7668 32.0640 176.4416 83 P 4.5509 0.0000 0.0000 64.5878 32.0110 178.2097 84 L 4.1737 7.9553 119.4152 57.8973 41.4112 178.5229 85 H 4.4161 8.4135 115.5329 58.2217 28.9231 177.4155 86 N 4.1800 7.8278 119.3907 56.1587 37.1860 176.1460 87 F 4.3133 8.2991 123.1561 59.6575 39.3604 176.7560 88 L 3.7578 8.2178 118.0636 58.5925 41.6128 180.0476 89 T 3.7533 7.3791 113.8381 66.6065 68.3818 176.0527 90 Q 4.0313 7.1895 119.7424 58.8955 29.4112 177.2869 91 L 3.8456 8.2327 121.7029 58.1774 42.0790 180.3492 92 Q 3.2834 8.2484 118.9645 58.1102 30.1312 177.3016 93 P 4.1680 0.0000 0.0000 64.3197 31.2068 176.2986 94 F 5.1717 7.4998 118.5428 58.7188 41.1725 177.3260 95 L 3.4004 8.0238 113.9041 55.8219 42.6337 180.7144 96 K 3.8471 10.0249 128.0576 57.9418 29.9300 176.5716 97 L 3.8758 5.9742 131.5704 57.7504 42.0284 176.7829 98 K 4.8532 6.3648 119.4429 57.7398 32.8232 177.7729 99 Q 4.3208 7.5428 117.3555 56.5063 29.0045 178.2617 100 K 4.1930 8.1449 119.6948 59.2549 32.6820 178.6541 101 Q 4.1870 7.9838 115.9550 57.7416 28.8423 177.5718 102 A 3.9796 7.9430 123.3842 55.3734 18.4177 178.7974 103 N 4.1301 8.0132 114.6009 56.9777 39.0610 176.5645 104 L 3.8408 7.6075 119.8740 57.9797 41.5898 180.0333 105 V 3.6115 8.1606 118.1667 66.1257 31.4043 177.9602 106 L 3.9317 7.7843 117.2598 57.8685 41.4193 179.6666 107 K 3.9062 7.9879 117.9897 59.4744 32.2047 178.8991 108 I 4.0208 7.3299 119.9759 64.5471 36.8309 178.6973 109 I 4.0566 7.6473 115.2367 61.3752 36.8659 175.1385 110 E 4.5987 8.3055 119.2740 55.2262 33.8099 176.2740 111 Q 3.1595 8.0029 114.7178 57.4183 25.7530 175.5277 112 L 4.7866 7.4390 123.1618 53.5013 40.3122 175.3051 113 P 4.5473 0.0000 0.0000 64.1407 33.1186 176.7350 *123 L 4.0459 7.5900 117.9152 54.2850 42.8522 178.7009 124 E 3.5059 8.2765 118.7378 56.6697 29.4938 174.5816 125 V 4.0020 7.4558 111.1620 61.6698 33.0562 175.3966 126 C 4.3285 8.5974 115.5992 59.6824 27.8591 173.4160 127 T 4.4148 6.7722 106.4866 61.4533 70.7966 176.6063 128 W 4.6449 7.6116 122.1221 59.3748 28.8993 177.9381 129 V 3.7376 8.0803 118.0845 66.6024 30.5696 177.7274 130 D 4.3378 7.6307 118.5417 57.3820 40.4583 178.5141 131 Q 4.0607 7.7126 118.9045 58.6065 29.4424 176.9495 132 I 4.3750 7.8217 121.1397 60.6068 38.5137 177.7538 133 A 4.2234 7.4406 123.4466 51.6650 17.1774 178.5383 134 A 4.4603 7.8337 131.0423 51.0342 18.4598 177.6801 135 L 3.7374 7.6954 114.5730 55.4802 39.1724 174.6693 136 N 4.7748 8.1482 115.8740 51.9785 39.6407 174.2660 137 D 4.6734 8.5681 123.2693 53.8358 42.4917 176.7280 138 S 4.0543 8.6567 118.6002 59.1636 62.8938 171.8114 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 K 8.31 4.05 0.00 1.65 1.69 0.00 1.84 0.00 0.00 1.78 0.00 0.00 3.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.49 7.81 5 Y 8.37 4.84 0.00 3.00 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 6 N 8.87 4.90 0.00 2.92 3.04 0.00 0.00 7.04 7.03 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 7 K 8.46 4.31 0.00 1.99 2.07 0.00 1.78 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.73 7.81 8 E 8.35 4.10 0.00 2.04 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 0.00 2.36 2.27 0.00 9 F 8.33 4.62 0.00 3.23 3.19 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 10 L 7.94 3.35 0.00 1.65 1.83 1.09 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 11 L 7.22 3.29 0.00 1.48 1.46 0.84 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 7.59 4.09 0.00 3.01 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 13 L 8.24 3.93 0.00 1.40 1.35 1.01 1.39 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 14 A 7.64 4.07 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 G 8.18 3.40 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 0.00 16 F 7.72 3.72 0.00 2.74 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 17 V 8.17 3.83 2.39 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 1.16 0.00 0.00 1.33 0.00 0.00 18 D 8.46 4.64 0.00 2.86 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 19 G 7.96 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 0.00 0.00 0.00 20 D 8.36 4.64 0.00 2.34 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 21 G 8.09 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 22 S 8.68 4.86 0.00 3.72 3.78 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 23 I 7.94 4.93 1.97 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 1.69 0.75 1.03 0.00 0.00 24 I 7.68 4.06 1.89 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.87 0.92 0.00 0.00 25 A 8.36 5.27 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 26 Q 9.53 4.58 0.00 2.05 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.72 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 27 I 8.27 4.65 1.89 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 1.35 0.94 0.88 0.00 0.00 28 K 9.29 4.79 0.00 1.83 1.71 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.40 1.39 7.81 29 P 0.00 4.71 0.00 2.18 2.26 0.00 3.83 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 2.04 2.05 0.00 30 N 8.82 4.80 0.00 2.87 2.67 0.00 0.00 7.08 7.12 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 31 Q 8.95 4.01 0.00 2.34 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.89 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 32 S 6.37 5.25 0.00 4.04 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 33 Y 8.89 4.99 0.00 3.08 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 34 K 7.32 4.07 0.00 1.07 0.74 0.00 1.55 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.25 1.42 7.81 35 F 9.15 4.28 0.00 2.95 2.80 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 36 K 8.11 4.97 0.00 1.83 2.11 0.00 2.04 0.00 0.00 1.81 0.00 0.00 3.19 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.47 1.40 7.81 37 H 8.54 4.98 0.00 3.12 3.29 0.00 5.56 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 38 Q 8.83 4.48 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.63 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 39 L 8.74 5.03 0.00 1.95 1.70 1.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 40 S 9.52 5.06 0.00 3.72 3.76 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 41 L 8.86 5.09 0.00 1.59 1.62 0.99 0.74 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 42 T 9.46 4.87 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 1.22 0.00 0.00 43 F 8.82 5.12 0.00 3.30 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 44 Q 7.78 5.11 0.00 1.93 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.50 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 45 V 7.86 4.58 1.95 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 0.82 0.00 0.00 1.05 0.00 0.00 46 T 8.11 5.30 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 1.19 0.00 0.00 47 Q 8.41 4.74 0.00 2.01 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.76 0.00 0.00 0.00 0.00 0.00 2.50 2.42 0.00 48 K 8.65 4.20 0.00 1.68 1.77 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.78 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.42 7.81 49 T 8.54 3.96 4.28 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 0.00 0.00 0.00 1.24 0.00 0.00 50 Q 8.35 4.26 0.00 2.12 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.97 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 51 R 7.73 4.70 0.00 1.47 2.19 0.00 3.03 0.00 0.00 3.05 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 52 R 8.05 4.23 0.00 2.11 2.23 0.00 3.07 0.00 0.00 3.42 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 53 W 8.08 4.46 0.00 3.68 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 54 F 6.85 3.76 0.00 1.76 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 55 L 7.64 4.12 0.00 1.83 1.67 0.96 1.08 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 56 G 8.49 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 0.00 0.00 0.00 57 K 7.82 3.96 0.00 2.00 1.54 0.00 1.33 0.00 0.00 1.65 0.00 0.00 3.23 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.43 7.81 58 L 7.77 3.63 0.00 1.54 0.94 0.57 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 59 V 7.50 3.95 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 1.08 0.00 0.00 1.13 0.00 0.00 60 D 7.64 4.39 0.00 2.61 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 61 E 8.51 3.89 0.00 2.01 1.57 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 0.00 2.09 2.43 0.00 62 I 8.30 4.09 2.01 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.66 0.76 0.00 0.00 63 G 8.06 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 0.00 0.00 0.00 0.00 64 V 7.69 3.87 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 0.82 0.00 0.00 0.94 0.00 0.00 65 G 7.63 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 0.00 0.00 0.00 66 Y 7.07 4.80 0.00 3.07 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 67 V 8.33 4.27 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 0.75 0.00 0.00 0.97 0.00 0.00 68 R 8.77 4.48 0.00 1.58 1.96 0.00 3.11 0.00 0.00 3.10 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 69 D 8.73 4.85 0.00 2.75 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 0.00 0.00 0.00 0.00 70 R 8.09 4.70 0.00 1.92 1.83 0.00 3.29 0.00 0.00 3.22 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 71 G 8.15 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 72 S 8.66 4.34 0.00 4.02 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 0.00 73 V 7.59 4.95 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 1.00 0.00 0.00 0.93 0.00 0.00 74 S 8.65 5.32 0.00 3.79 3.72 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 75 D 8.66 4.82 0.00 2.71 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 76 Y 9.12 4.44 0.00 2.91 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 77 I 7.53 4.29 1.06 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 0.81 0.34 0.83 0.00 0.00 78 L 8.60 3.77 0.00 2.09 1.81 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.00 4.27 0.00 4.13 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 0.00 80 E 8.56 3.47 0.00 2.22 1.91 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 2.28 2.43 0.00 81 I 7.55 3.29 1.90 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 1.45 0.60 0.93 0.00 0.00 82 K 7.20 3.78 0.00 1.75 1.83 0.00 1.75 0.00 0.00 1.77 0.00 0.00 3.26 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.54 7.81 83 P 0.00 4.55 0.00 2.29 2.31 0.00 4.12 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 2.07 0.00 84 L 7.96 4.17 0.00 1.92 1.86 1.14 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 85 H 8.41 4.42 0.00 3.46 3.68 0.00 5.46 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 86 N 7.83 4.18 0.00 2.91 2.93 0.00 0.00 5.92 8.12 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 87 F 8.30 4.31 0.00 3.14 2.97 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 88 L 8.22 3.76 0.00 1.84 1.73 1.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 89 T 7.38 3.75 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 1.16 0.00 0.00 90 Q 7.19 4.03 0.00 2.39 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.35 0.00 91 L 8.23 3.85 0.00 1.41 1.32 0.66 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 92 Q 8.25 3.28 0.00 2.21 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.61 0.00 0.00 0.00 0.00 0.00 2.25 2.48 0.00 93 P 0.00 4.17 0.00 1.44 1.81 0.00 3.45 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 1.56 0.00 94 F 7.50 5.17 0.00 3.02 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 95 L 8.02 3.40 0.00 1.62 1.24 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 96 K 10.02 3.85 0.00 2.28 1.66 0.00 1.75 0.00 0.00 1.63 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.36 7.81 97 L 5.97 3.88 0.00 1.69 1.70 0.91 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.36 4.85 0.00 1.92 1.96 0.00 2.02 0.00 0.00 1.77 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.39 7.81 99 Q 7.54 4.32 0.00 2.09 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.90 0.00 0.00 0.00 0.00 0.00 2.54 2.32 0.00 100 K 8.14 4.19 0.00 1.84 1.83 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.42 1.62 7.81 101 Q 7.98 4.19 0.00 2.28 2.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.66 2.41 0.00 102 A 7.94 3.98 1.28 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 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.01 4.13 0.00 2.73 2.94 0.00 0.00 7.07 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 0.00 104 L 7.61 3.84 0.00 1.72 1.75 0.95 1.14 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 0.00 105 V 8.16 3.61 2.27 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 1.18 0.00 0.00 1.11 0.00 0.00 106 L 7.78 3.93 0.00 1.88 1.68 0.93 0.84 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 0.00 107 K 7.99 3.91 0.00 1.51 1.15 0.00 1.19 0.00 0.00 0.61 0.00 0.00 2.68 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.02 1.17 7.81 108 I 7.33 4.02 2.04 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 1.69 1.12 1.06 0.00 0.00 109 I 7.65 4.06 2.04 0.00 0.00 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 1.57 0.62 0.95 0.00 0.00 110 E 8.31 4.60 0.00 2.01 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 2.22 2.24 0.00 111 Q 8.00 3.16 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.33 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 112 L 7.44 4.79 0.00 1.75 1.72 0.96 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.55 0.00 2.07 2.14 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.10 0.00 *123 L 7.59 4.05 0.00 1.72 1.71 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 124 E 8.28 3.51 0.00 2.01 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 0.00 2.27 2.44 0.00 125 V 7.46 4.00 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 0.82 0.00 0.00 0.93 0.00 0.00 126 C 8.60 4.33 0.00 3.17 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 0.00 127 T 6.77 4.41 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 1.04 0.00 0.00 128 W 7.61 4.64 0.00 3.46 3.22 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 0.00 129 V 8.08 3.74 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 1.19 0.00 0.00 1.01 0.00 0.00 130 D 7.63 4.34 0.00 2.89 2.69 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 0.00 131 Q 7.71 4.06 0.00 2.13 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.64 0.00 0.00 0.00 0.00 0.00 2.46 2.50 0.00 132 I 7.82 4.37 2.11 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 1.52 0.98 0.95 0.00 0.00 133 A 7.44 4.22 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 0.00 134 A 7.83 4.46 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 0.00 135 L 7.70 3.74 0.00 1.83 1.85 0.92 1.09 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 0.00 136 N 8.15 4.77 0.00 2.71 2.75 0.00 0.00 7.07 8.06 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 0.00 137 D 8.57 4.67 0.00 2.62 2.57 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 0.00 0.00 0.00 0.00 138 S 8.66 4.05 0.00 3.98 3.78 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 * Residues marked with a * may have inaccurate shift predictions.