NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -3 H 4.7819 8.4449 117.7549 55.6729 30.2008 172.6742 -2 H 4.0429 8.5735 121.8567 55.2165 29.7217 174.0083 -1 H 4.8731 9.1215 125.9708 55.3138 32.7516 175.1649 -1 K 4.4631 8.9915 128.1708 56.5138 36.8516 177.6649 3 E 3.9434 7.6794 117.7816 59.5018 29.3859 178.9584 4 I 3.7457 7.6637 118.9690 64.4490 37.0929 177.8764 5 A 4.2393 7.8684 120.7887 55.8179 18.2434 179.7738 6 T 3.8979 7.8364 113.3795 66.8284 68.4991 176.8533 7 E 3.9262 8.0251 119.2464 58.7189 29.4339 177.7469 8 Y 4.8961 7.9564 113.8974 57.2231 39.1419 175.8552 9 S 3.7999 7.6278 112.7826 59.6539 60.9119 172.8491 10 F 4.7596 8.4716 117.7177 56.6451 40.1990 176.9985 11 I 4.5837 8.8557 125.4238 59.1473 39.3583 175.1884 12 K 2.9689 8.7076 127.7835 57.5749 31.9477 174.9944 13 Y 4.5147 9.1762 129.0306 59.4010 40.1730 174.8621 14 T 4.3281 7.5689 111.0394 61.0523 71.0533 170.8923 15 E 5.0712 8.4910 126.6127 54.1449 31.4310 175.6083 16 L 4.3680 8.6630 127.4781 55.0420 42.6797 176.4396 17 E 4.8132 8.5415 120.0374 54.6713 34.2158 174.5732 18 L 4.8141 8.4664 122.4066 53.5971 43.1557 176.7176 19 D 4.7449 9.0642 123.2318 52.2013 40.7538 177.0382 20 D 4.3139 8.4808 118.2891 56.8113 40.7848 176.9553 21 N 4.5840 8.3385 116.1897 53.0309 38.8426 174.8677 22 G 3.8998 8.3053 104.0408 46.4946 0.0000 173.5729 23 S 4.7633 8.5454 114.0822 55.7842 64.2887 173.2172 24 I 4.3361 8.1945 127.0819 60.9703 37.1390 176.1845 25 K 4.0591 8.9622 127.6918 56.8870 32.7149 177.0442 26 Q 4.2843 8.4765 120.7604 55.5850 29.6135 176.2917 27 L 4.1831 8.4095 121.8424 54.9266 42.2693 177.3166 28 S 4.6140 8.3795 114.3059 57.5040 64.4193 173.9895 29 I 4.2103 7.2736 114.2678 58.6456 39.0340 173.7316 30 P 4.3073 0.0000 0.0000 62.8282 31.6943 176.0149 31 N 4.8163 8.3405 119.9047 53.0562 40.0490 173.9287 32 K 4.4682 7.8812 119.8870 54.6388 36.6344 174.9468 33 Y 4.9885 8.0274 119.1052 56.5670 41.6251 174.9905 34 N 4.2692 8.4298 117.4816 54.8407 36.3193 173.6143 35 V 5.0087 8.0668 111.9184 59.5244 36.9175 176.4579 36 I 4.8730 8.3405 123.8751 60.5279 38.6374 174.6630 37 Y 5.5852 8.8904 125.0013 55.2530 41.2228 174.3510 38 A 5.0297 9.4394 122.7511 50.2790 22.3123 175.0179 39 I 4.2560 8.4511 123.0314 59.5668 39.1670 174.6352 40 A 4.9589 8.7193 129.0435 49.9587 22.0839 174.9016 41 I 4.6406 8.2311 122.7811 59.4912 40.1185 175.9145 42 N 3.8436 9.7158 127.2200 54.6008 36.4636 174.9860 43 D 4.3822 8.1769 112.8303 54.5386 38.8911 173.5174 44 E 4.4549 7.4721 121.2863 53.6467 30.9886 174.8874 45 L 4.0414 8.1726 128.8575 55.4603 42.4095 176.5462 46 V 4.0672 8.2476 118.9383 61.6264 34.5468 174.9915 47 Y 5.2343 7.2347 120.1287 56.2724 42.3035 173.2012 48 I 4.4361 8.0619 127.0067 59.3815 39.7770 175.0176 49 G 3.8655 7.9453 113.2816 44.0853 0.0000 170.8388 50 K 5.3327 8.3758 117.3282 55.7577 35.8474 175.6368 51 T 4.6556 8.7084 114.3082 61.4487 71.0566 174.1927 52 K 4.3206 8.8490 125.6446 58.1134 33.9694 176.1781 53 N 4.7369 8.2658 118.6344 51.0056 40.6205 174.4573 54 L 3.7078 8.7140 128.8158 58.2295 42.1309 178.8524 55 R 3.8796 8.3185 118.2260 58.9983 29.8629 178.9902 56 K 3.8851 8.2953 119.3855 59.4679 32.2640 178.8207 57 R 3.7170 7.7514 118.8385 59.5716 30.0109 178.5482 58 I 3.6611 7.8580 119.8974 64.3616 36.8474 178.1783 59 N 4.3446 8.5244 117.8478 56.2665 38.2773 176.6721 60 Y 4.0443 8.0962 121.0938 61.1332 38.6608 178.0412 61 Y 4.1356 7.6461 115.9735 61.0827 38.0034 178.5410 62 R 4.1821 7.9957 118.5490 58.2161 30.4816 177.3072 63 T 4.4750 7.4573 106.3086 60.6741 70.8738 175.7363 64 A 3.7069 8.0321 125.5510 55.3545 18.0318 179.6089 65 I 3.7329 7.5122 108.9010 63.5372 37.7649 177.1896 66 N 4.5531 7.8658 117.1731 55.0278 38.6100 174.7048 67 R 4.0692 7.7541 115.0119 56.9316 31.7621 175.3187 *73 D 4.3958 7.7559 121.0266 53.3611 42.3093 175.8357 74 S 4.9091 8.1952 123.5818 57.9253 63.9434 176.7803 75 T 3.7409 8.4555 119.3159 67.9742 68.2674 176.0656 76 K 3.3107 7.9133 119.7437 59.2080 32.0938 179.0798 77 S 4.2343 8.2624 112.6688 61.5003 62.3835 175.9430 78 A 4.0062 8.0164 123.2881 55.2562 18.1859 179.6096 79 L 3.9099 8.0884 117.8019 57.8784 41.5276 179.9191 80 I 3.9295 7.9547 119.9849 64.6096 37.0591 178.1586 81 H 4.1613 8.3946 117.3550 58.9265 28.5887 178.0592 82 S 4.1545 8.3051 115.8615 61.3076 62.8017 176.3672 83 A 4.1927 8.0547 124.2413 55.0260 18.1552 179.6228 84 L 3.9854 8.0069 117.5198 57.9533 41.4819 179.9611 85 K 4.1313 8.0964 117.3127 58.9465 32.0750 178.4670 86 E 4.3052 7.9847 116.9367 56.5729 29.5710 177.4917 87 G 3.9104 7.8051 107.4118 45.6203 0.0000 173.8075 88 S 4.6065 7.7690 114.8969 57.4491 64.1387 173.9843 89 K 4.1925 9.1192 125.0031 56.2645 33.4570 175.7222 90 V 4.8497 8.4847 126.7296 61.2757 34.1937 173.8391 91 E 5.3992 9.3234 127.1653 54.6211 33.9286 174.7384 92 F 5.3257 9.3444 120.7461 56.1551 41.8440 174.4175 93 Y 5.3191 9.4874 120.6466 56.3099 41.4289 174.5863 94 A 5.3431 9.3527 123.0440 50.3822 23.0582 174.8378 95 R 4.5218 8.8713 122.9294 54.3276 32.0130 174.9057 96 Q 4.4597 8.6469 128.3514 56.4361 29.7412 174.5014 97 C 5.3437 8.4707 125.7187 58.5569 31.6976 172.0610 98 F 4.9976 8.3397 113.4882 56.9328 41.2235 172.4878 99 N 5.3940 9.0221 115.4107 51.5242 41.3545 174.0267 100 L 4.9536 8.9934 122.9317 53.4696 44.8384 176.2815 101 S 4.4978 8.1917 117.9318 57.3149 66.2362 172.6909 *103 T 4.4024 8.3783 117.5856 64.3893 69.5281 172.4908 104 N 4.9826 8.5223 126.6816 51.7153 39.1038 175.0102 105 E 3.9199 8.9804 115.1012 59.6759 29.6712 177.7672 106 L 4.2406 8.2722 117.0133 54.9951 43.0291 177.1819 107 G 3.9176 8.2767 105.1089 44.6843 0.0000 171.8913 108 T 4.5665 7.9790 119.2766 61.9301 71.3923 173.1795 *110 T 4.4093 8.0251 117.3211 63.9357 69.8211 173.9283 111 I 4.5228 8.9301 125.6071 59.4280 40.5476 174.2528 112 A 5.0275 8.6708 128.9393 49.7799 20.0130 178.1302 113 T 3.7092 8.6237 114.3942 64.0998 69.3724 176.8256 114 I 3.7492 7.7410 116.5329 64.2391 37.0539 177.7472 115 D 4.4001 7.9182 119.7147 56.7254 40.6402 178.3874 116 L 4.1208 7.5259 118.5529 57.6922 42.2452 178.5721 117 E 4.0530 8.5909 118.3064 58.3924 29.5294 178.9309 118 A 4.0655 7.9800 121.2483 54.9338 18.5224 177.9154 119 P 4.1785 0.0000 0.0000 65.5964 31.2922 178.9301 120 L 3.8061 7.6143 117.4143 57.7072 41.5029 179.3757 121 F 3.6325 7.7962 117.7424 60.3419 38.7643 177.8435 122 I 3.6757 7.8695 119.5746 64.1945 36.6417 178.4505 123 K 3.8950 7.7766 119.6244 59.1261 32.0749 178.4549 124 L 3.8812 7.5643 120.0058 57.9493 42.0705 178.3224 125 F 4.6111 7.9804 115.8302 56.8694 40.5855 175.4086 126 N 4.2136 8.2206 116.0524 53.9427 37.7106 172.3244 127 P 4.4685 0.0000 0.0000 61.8906 32.7326 176.4681 128 P 4.3878 0.0000 0.0000 65.6661 31.3691 177.8907 129 W 4.6049 8.6294 116.5190 58.4876 29.3268 177.0171 130 N 4.9100 8.0095 117.1130 52.3238 36.4730 175.2605 131 I 4.0917 7.9478 121.8793 61.2342 37.3973 175.9364 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 -3 H 8.44 4.78 0.00 2.96 3.31 0.00 5.86 0.00 0.00 0.00 0.00 6.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -2 H 8.57 4.04 0.00 2.90 2.98 0.00 5.61 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 -1 H 9.12 4.87 0.00 3.17 3.07 0.00 5.74 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -1 K 8.99 4.46 0.00 1.72 1.66 0.00 0.61 0.00 0.00 1.78 0.00 0.00 2.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.25 7.81 3 E 7.68 3.94 0.00 1.95 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 2.36 2.32 0.00 4 I 7.66 3.75 1.43 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.36 0.07 0.35 0.00 0.00 5 A 7.87 4.24 1.46 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 0.00 0.00 6 T 7.84 3.90 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 7 E 8.03 3.93 0.00 1.99 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 2.14 2.26 0.00 8 Y 7.96 4.90 0.00 3.53 3.31 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 9 S 7.63 3.80 0.00 4.16 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 10 F 8.47 4.76 0.00 2.96 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 11 I 8.86 4.58 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.75 0.96 0.00 0.00 12 K 8.71 2.97 0.00 1.33 1.55 0.00 1.64 0.00 0.00 1.52 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.16 0.83 7.81 13 Y 9.18 4.51 0.00 3.08 3.16 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 14 T 7.57 4.33 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 1.29 0.00 0.00 15 E 8.49 5.07 0.00 1.97 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 2.20 2.40 0.00 16 L 8.66 4.37 0.00 1.67 1.63 1.16 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.54 4.81 0.00 1.85 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 2.28 2.48 0.00 18 L 8.47 4.81 0.00 1.64 1.60 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 D 9.06 4.74 0.00 2.86 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 20 D 8.48 4.31 0.00 2.69 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 21 N 8.34 4.58 0.00 2.68 2.87 0.00 0.00 7.01 7.98 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 22 G 8.31 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 0.00 0.00 0.00 23 S 8.55 4.76 0.00 3.81 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 24 I 8.19 4.34 1.88 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.62 0.92 0.00 0.00 25 K 8.96 4.06 0.00 1.58 1.76 0.00 1.81 0.00 0.00 1.69 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.58 7.81 26 Q 8.48 4.28 0.00 1.93 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.97 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 27 L 8.41 4.18 0.00 1.59 1.56 0.88 0.83 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 28 S 8.38 4.61 0.00 3.88 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 29 I 7.27 4.21 1.56 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.24 0.71 0.00 0.00 30 P 0.00 4.31 0.00 2.08 2.05 0.00 3.60 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 2.02 2.07 0.00 31 N 8.34 4.82 0.00 2.69 2.35 0.00 0.00 7.12 6.68 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 32 K 7.88 4.47 0.00 1.32 1.45 0.00 1.63 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.40 1.53 7.81 33 Y 8.03 4.99 0.00 2.85 2.92 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 34 N 8.43 4.27 0.00 3.05 2.90 0.00 0.00 6.82 6.96 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 35 V 8.07 5.01 2.19 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 0.78 0.00 0.00 0.98 0.00 0.00 36 I 8.34 4.87 1.73 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.96 1.04 0.00 0.00 37 Y 8.89 5.59 0.00 3.44 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 38 A 9.44 5.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 I 8.45 4.26 1.47 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.17 0.84 0.29 0.00 0.00 40 A 8.72 4.96 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.23 4.64 1.71 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.37 0.93 0.00 0.00 42 N 9.72 3.84 0.00 2.74 2.82 0.00 0.00 7.15 7.60 0.00 0.00 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 D 8.18 4.38 0.00 2.68 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 44 E 7.47 4.45 0.00 1.86 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 2.05 2.11 0.00 45 L 8.17 4.04 0.00 1.21 1.28 0.56 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.25 4.07 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 0.00 0.00 0.33 0.00 0.00 -0.57 0.00 0.00 47 Y 7.23 5.23 0.00 2.93 2.56 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 0.00 0.00 0.00 0.00 48 I 8.06 4.44 1.64 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 1.14 0.78 0.00 0.00 49 G 7.95 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 0.00 0.00 0.00 50 K 8.38 5.33 0.00 1.76 1.75 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.74 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.48 7.81 51 T 8.71 4.66 4.43 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 1.27 0.00 0.00 52 K 8.85 4.32 0.00 1.80 1.89 0.00 1.71 0.00 0.00 1.76 0.00 0.00 2.82 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.47 7.81 53 N 8.27 4.74 0.00 2.83 2.68 0.00 0.00 6.66 6.21 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 54 L 8.71 3.71 0.00 1.52 1.16 0.65 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 55 R 8.32 3.88 0.00 1.93 1.96 0.00 3.44 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.83 0.00 56 K 8.30 3.89 0.00 1.92 1.98 0.00 1.65 0.00 0.00 1.57 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.45 7.81 57 R 7.75 3.72 0.00 1.86 1.81 0.00 2.83 0.00 0.00 3.02 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.54 0.00 58 I 7.86 3.66 1.67 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.14 0.21 0.61 0.00 0.00 59 N 8.52 4.34 0.00 2.96 2.87 0.00 0.00 6.62 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 60 Y 8.10 4.04 0.00 2.96 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 61 Y 7.65 4.14 0.00 3.29 3.05 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 0.00 0.00 0.00 0.00 62 R 8.00 4.18 0.00 2.00 2.01 0.00 3.08 0.00 0.00 3.43 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 63 T 7.46 4.47 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 1.23 0.00 0.00 64 A 8.03 3.71 0.65 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 0.00 0.00 65 I 7.51 3.73 1.76 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.38 0.85 0.00 0.00 66 N 7.87 4.55 0.00 2.88 2.88 0.00 0.00 6.85 7.77 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 67 R 7.75 4.07 0.00 1.93 1.86 0.00 3.07 0.00 0.00 3.13 7.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.52 0.00 *73 D 7.76 4.40 0.00 2.69 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 74 S 8.20 4.91 0.00 3.94 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 75 T 8.46 3.74 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 0.99 0.00 0.00 76 K 7.91 3.31 0.00 1.96 1.78 0.00 1.03 0.00 0.00 1.14 0.00 0.00 3.12 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.09 1.30 7.81 77 S 8.26 4.23 0.00 3.91 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 78 A 8.02 4.01 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 79 L 8.09 3.91 0.00 1.16 1.42 -0.20 0.57 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 80 I 7.95 3.93 2.11 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 1.69 1.03 0.99 0.00 0.00 81 H 8.39 4.16 0.00 3.41 3.37 0.00 5.81 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 S 8.31 4.15 0.00 4.08 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 83 A 8.05 4.19 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 84 L 8.01 3.99 0.00 1.89 1.75 0.92 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 85 K 8.10 4.13 0.00 1.89 1.89 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.50 1.61 7.81 86 E 7.98 4.31 0.00 2.14 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 2.35 2.45 0.00 87 G 7.81 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 88 S 7.77 4.61 0.00 3.99 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 89 K 9.12 4.19 0.00 1.84 1.67 0.00 1.58 0.00 0.00 1.58 0.00 0.00 2.76 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.44 1.59 7.81 90 V 8.48 4.85 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 0.98 0.00 0.00 0.95 0.00 0.00 91 E 9.32 5.40 0.00 2.06 1.83 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 2.23 2.29 0.00 92 F 9.34 5.33 0.00 3.05 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 93 Y 9.49 5.32 0.00 2.85 3.09 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 94 A 9.35 5.34 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 95 R 8.87 4.52 0.00 0.67 0.90 0.00 2.69 0.00 0.00 2.66 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.22 0.00 96 Q 8.65 4.46 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.49 0.00 0.00 0.00 0.00 0.00 2.39 2.53 0.00 97 C 8.47 5.34 0.00 3.09 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 98 F 8.34 5.00 0.00 3.15 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 99 N 9.02 5.39 0.00 2.71 2.77 0.00 0.00 6.63 6.74 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 0.00 100 L 8.99 4.95 0.00 1.58 1.61 1.06 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 101 S 8.19 4.50 0.00 3.82 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 *103 T 8.38 4.40 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 0.00 104 N 8.52 4.98 0.00 2.90 2.85 0.00 0.00 6.54 7.13 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 0.00 105 E 8.98 3.92 0.00 1.96 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 2.32 2.40 0.00 106 L 8.27 4.24 0.00 1.78 1.71 0.92 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 107 G 8.28 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 0.00 108 T 7.98 4.57 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 1.22 0.00 0.00 *110 T 8.03 4.41 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 1.25 0.00 0.00 111 I 8.93 4.52 1.84 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 1.14 0.65 0.85 0.00 0.00 112 A 8.67 5.03 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 0.00 113 T 8.62 3.71 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 0.31 0.00 0.00 114 I 7.74 3.75 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 1.62 0.63 0.90 0.00 0.00 115 D 7.92 4.40 0.00 2.83 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 0.00 116 L 7.53 4.12 0.00 1.63 1.65 0.84 0.85 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 0.00 117 E 8.59 4.05 0.00 2.06 2.15 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 2.25 2.43 0.00 118 A 7.98 4.07 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 119 P 0.00 4.18 0.00 2.10 2.07 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.15 0.00 120 L 7.61 3.81 0.00 1.37 1.31 0.73 0.99 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 0.00 121 F 7.80 3.63 0.00 3.15 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 0.00 122 I 7.87 3.68 1.96 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.72 0.88 0.00 0.00 123 K 7.78 3.89 0.00 1.77 1.83 0.00 1.74 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.39 7.81 124 L 7.56 3.88 0.00 1.31 1.06 0.82 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 125 F 7.98 4.61 0.00 2.99 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 0.00 126 N 8.22 4.21 0.00 2.79 2.84 0.00 0.00 7.23 7.20 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 0.00 127 P 0.00 4.47 0.00 2.45 1.87 0.00 3.68 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 2.12 2.12 0.00 128 P 0.00 4.39 0.00 2.28 2.27 0.00 3.69 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 2.02 2.16 0.00 129 W 8.63 4.60 0.00 3.60 3.27 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 0.00 130 N 8.01 4.91 0.00 2.94 2.83 0.00 0.00 6.93 7.61 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 0.00 131 I 7.95 4.09 1.93 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.61 0.95 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.