NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 G 3.7943 8.3393 109.7364 45.2002 0.0000 173.9708 *2 K 4.2903 7.9107 119.9535 56.2832 34.5566 174.8386 3 K 3.9849 8.8113 120.9878 57.1722 32.1112 176.8917 4 L 4.2378 8.7133 124.2410 53.3022 42.4369 176.1562 5 N 4.1181 7.9721 115.5064 53.6830 36.4332 173.5871 6 T 4.5771 7.3883 110.0523 61.2670 70.4934 172.5692 7 N 5.0572 8.6582 121.5997 52.2355 37.7216 173.4994 8 K 4.9777 7.7586 117.9285 54.8571 34.6567 176.3734 9 L 4.5066 8.9369 126.4507 55.0803 42.4153 177.4016 10 T 4.2676 8.9944 113.3115 60.8800 70.5842 175.3306 11 E 3.9158 8.9242 121.8117 59.5806 29.4755 178.2745 12 E 3.9791 8.2019 118.7043 59.4743 29.7262 178.7149 13 Q 4.0565 8.0655 117.9279 58.6194 28.8150 178.4337 14 V 3.7575 8.1869 119.7433 66.4688 31.5790 177.9478 15 N 4.4372 8.3809 115.8958 56.1282 37.8037 177.3568 16 L 3.9671 8.1684 120.5910 58.0024 41.5176 179.6425 17 F 3.9999 8.0573 116.3191 60.2904 38.8665 177.3895 18 K 4.2116 8.1734 118.6904 58.7009 32.1489 177.6966 19 N 4.8848 8.0501 113.3857 52.2143 39.4428 174.2208 20 N 5.0760 7.1533 116.0303 50.7063 42.6439 173.9223 21 L 4.0050 8.4440 122.7096 55.1914 42.8375 176.3723 22 V 4.4705 8.1726 125.7375 62.0604 33.5853 173.8252 23 Y 4.9091 8.8271 124.3477 56.0573 40.9786 174.3783 24 L 5.3200 9.0371 124.7740 53.2977 45.5029 174.9279 25 A 5.3123 9.1137 126.0536 50.5909 22.8970 175.0391 26 T 5.1454 8.8386 110.0755 60.3252 73.1898 172.7819 27 V 4.9297 8.5268 114.3037 59.4255 35.2797 176.1663 28 D 4.8876 9.1653 123.3157 51.8305 40.4817 177.0666 29 A 4.0165 8.3515 121.1233 54.6544 18.3879 178.1332 30 D 4.4836 8.1513 113.8001 54.8878 41.3433 177.3364 31 G 3.9865 8.2495 107.9775 44.6868 0.0000 173.3744 32 N 4.6595 8.9602 119.3484 52.3921 39.3995 173.3015 33 P 5.0129 0.0000 0.0000 62.8020 32.9074 175.2180 34 Q 4.8030 9.1181 121.5911 54.7034 32.8748 174.0597 35 V 5.0082 8.0956 122.5501 60.8303 34.4409 173.4162 36 G 4.2812 8.9636 108.5576 44.8133 0.0000 170.9385 37 P 3.9463 0.0000 0.0000 62.2861 31.8952 176.4352 38 K 4.2222 8.6508 122.9705 54.3418 32.7711 176.7546 39 G 3.5504 8.5319 115.3643 47.4388 0.0000 171.3874 40 S 4.3300 7.1389 111.6473 57.8464 63.3124 174.1842 *42 T 4.1901 8.2554 121.4102 63.2197 70.1486 173.4747 43 V 3.9621 8.4133 125.9899 62.8204 31.7139 175.6016 44 L 4.3270 8.8194 128.6720 56.8085 42.5992 175.9272 45 D 4.5750 7.3681 115.4310 51.9398 41.8234 174.0269 46 P 4.4068 0.0000 0.0000 64.6908 31.4049 178.0207 47 S 4.7892 8.7164 112.8940 57.2821 63.9946 172.8376 48 H 5.3949 8.3380 117.7828 54.2608 33.2131 172.5297 49 L 5.3587 8.8846 121.6009 53.2204 45.9817 174.8894 50 Q 5.2530 9.0776 120.5454 55.3933 32.3652 172.7928 51 Y 5.1950 8.8336 122.7594 55.7917 42.4483 173.1974 52 L 4.9074 8.7875 119.4894 53.1040 43.8702 176.5976 53 E 4.4675 9.3784 125.2817 54.9300 29.8085 176.1399 54 K 3.9669 8.5689 127.1459 57.4837 32.9588 178.1847 55 T 4.1576 7.7983 106.7037 60.4107 70.7300 174.2210 56 K 3.5080 8.2153 121.0676 57.2406 30.8125 175.4887 57 G 4.2146 7.2846 113.2605 45.1080 0.0000 174.6540 58 E 4.0351 8.8400 122.1096 58.9224 29.6781 178.1929 59 A 4.0942 8.0112 121.7696 54.6886 18.3854 178.6840 60 Y 4.1321 8.1380 117.3535 61.1408 38.4673 178.1304 61 E 3.7289 8.3424 119.3623 59.4026 29.3348 179.2131 62 N 4.3611 8.4872 116.8671 56.2996 38.5934 177.5871 63 I 3.7058 8.0188 121.5486 64.2220 36.9759 178.2766 64 K 3.7366 7.8063 119.6157 59.0309 31.9570 177.9612 65 R 4.3995 7.0523 114.8664 55.4011 30.4528 176.7035 66 G 4.0747 7.8715 107.0015 44.8101 0.0000 174.2581 67 S 4.1902 7.9793 115.1452 58.5369 62.7774 174.4686 68 K 4.4367 8.6416 126.0182 56.2308 33.5090 176.0828 69 V 4.6517 8.9306 120.7464 61.2790 34.3415 173.9271 70 A 5.2652 8.9333 129.6565 50.4867 21.3351 175.5902 71 L 5.5103 9.0488 120.8846 52.9081 46.3252 176.0643 72 V 4.8967 8.9148 120.3577 59.9176 35.2309 174.3997 73 A 4.7575 8.7204 124.7338 50.1938 20.9966 174.4207 74 A 4.8616 8.4927 122.8137 51.0811 21.6722 175.8954 75 D 4.6676 8.7924 123.4354 52.5250 40.9025 177.0403 76 V 3.5219 8.1304 124.3172 64.9537 32.1838 176.3771 77 P 4.2362 0.0000 0.0000 65.4685 31.1459 177.1864 78 S 4.4469 8.0173 109.5694 58.0094 63.5347 173.3787 79 H 4.0216 7.8200 117.3380 57.5313 26.6256 174.4572 80 T 4.8602 7.4235 106.7840 60.2613 72.3132 173.0953 81 A 4.9855 8.1723 122.3322 51.4349 22.1640 175.8763 82 V 4.7468 8.4981 118.4952 60.1281 35.3700 174.6366 83 R 5.2963 9.1895 120.9771 54.7317 34.0426 174.9296 84 V 5.2545 9.1036 114.4826 59.6878 36.5228 174.0861 85 L 5.2899 9.0654 124.7675 53.5260 44.5083 175.1202 86 A 5.2522 9.1917 126.7072 50.7719 23.3418 174.6982 87 T 4.8877 8.7156 109.2283 60.1071 71.4991 173.5807 88 A 5.1675 8.4817 124.7436 50.7252 21.3092 175.9857 89 E 4.4881 9.2047 121.4400 54.3612 32.5620 174.6579 90 V 4.4057 8.3711 127.1143 61.8072 33.1987 174.4459 91 H 4.6928 9.3280 125.7501 54.6718 30.3900 174.7434 92 E 3.5825 8.8248 123.2093 58.0751 29.9710 179.3924 93 D 4.6649 7.4428 117.1241 51.6856 41.4142 174.9534 94 D 4.7851 8.0495 118.9126 52.1862 42.7915 175.2406 95 D 4.4064 8.5632 118.1617 57.5651 40.6284 178.4265 96 Y 4.0213 8.0885 119.4220 60.6242 38.8602 177.5261 97 A 3.9009 8.7815 122.1165 55.2222 18.5909 179.7624 98 K 3.8805 8.0518 116.8612 59.3707 31.8932 179.4218 99 K 3.8378 7.7831 118.7773 59.5193 32.0265 178.7316 100 V 3.5603 7.5277 118.3491 65.9305 31.5255 177.7978 101 L 4.1507 8.2208 117.8023 56.6255 41.3245 178.9440 102 A 4.0991 7.7042 120.1168 54.2975 18.2376 178.0514 103 K 4.3813 7.3522 115.1988 56.3795 32.1640 176.0876 104 T 4.6994 7.7445 111.1195 60.7000 71.7860 173.7728 105 E 4.2242 8.3718 115.7829 55.8785 30.2638 177.2323 106 F 5.0397 8.1397 117.7010 56.5595 38.9050 174.5844 107 P 4.4158 0.0000 0.0000 64.7712 31.9477 177.6834 108 N 4.7871 8.0218 114.4623 52.8600 38.9811 174.3771 109 A 4.1765 7.7393 120.6909 51.8729 19.5398 177.4795 110 F 5.1178 8.6020 117.8557 56.5090 41.7171 175.3191 111 V 4.6234 8.6814 121.4916 61.2539 33.7132 174.4560 112 V 4.7120 8.3967 128.3218 61.2254 33.6972 173.8060 113 N 5.3319 9.1574 126.1348 51.9374 40.8348 174.0265 114 L 5.2192 9.0859 123.2931 53.1010 44.9765 175.1020 115 N 5.0640 9.1302 122.5102 51.6140 40.1373 174.7288 116 I 4.2123 8.4993 126.5798 61.7307 37.1042 175.9695 117 E 4.4763 9.3718 126.4810 57.6547 31.2441 176.2442 118 E 4.7316 7.9120 118.4343 54.6994 33.4541 173.9664 119 V 4.9259 8.0948 125.2607 61.2052 34.4370 174.3000 120 F 5.4570 9.4004 124.9466 55.9280 43.0249 175.0077 121 A 4.2808 8.8533 123.1139 52.6597 18.9644 176.1514 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 *0 G 8.34 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 0.00 0.00 0.00 *2 K 7.91 4.29 0.00 2.02 2.04 0.00 1.63 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.05 7.81 3 K 8.81 3.98 0.00 1.67 1.70 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 3.09 0.00 0.00 0.00 0.00 0.98 1.58 7.81 4 L 8.71 4.24 0.00 1.49 1.66 0.93 0.92 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 5 N 7.97 4.12 0.00 2.85 2.85 0.00 0.00 6.65 7.69 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 6 T 7.39 4.58 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 1.17 0.00 0.00 7 N 8.66 5.06 0.00 3.09 3.07 0.00 0.00 5.76 6.86 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 8 K 7.76 4.98 0.00 1.63 1.73 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.36 7.81 9 L 8.94 4.51 0.00 1.52 1.68 0.76 1.00 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 10 T 8.99 4.27 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 1.23 0.00 0.00 11 E 8.92 3.92 0.00 2.12 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 2.40 2.46 0.00 12 E 8.20 3.98 0.00 2.19 1.96 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 2.38 1.97 0.00 13 Q 8.07 4.06 0.00 2.50 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.53 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 14 V 8.19 3.76 2.30 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 1.09 0.00 0.00 1.01 0.00 0.00 15 N 8.38 4.44 0.00 2.96 2.88 0.00 0.00 7.10 6.22 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 16 L 8.17 3.97 0.00 1.83 1.53 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 17 F 8.06 4.00 0.00 3.25 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 18 K 8.17 4.21 0.00 1.95 2.04 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.49 1.52 7.81 19 N 8.05 4.88 0.00 2.84 2.82 0.00 0.00 6.82 7.28 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 20 N 7.15 5.08 0.00 2.75 2.74 0.00 0.00 6.87 7.73 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 21 L 8.44 4.00 0.00 1.59 1.65 0.76 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 22 V 8.17 4.47 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 1.22 0.00 0.00 1.12 0.00 0.00 23 Y 8.83 4.91 0.00 2.97 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 24 L 9.04 5.32 0.00 1.52 1.48 0.41 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 25 A 9.11 5.31 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 26 T 8.84 5.15 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 1.25 0.00 0.00 27 V 8.53 4.93 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 0.73 0.00 0.00 0.93 0.00 0.00 28 D 9.17 4.89 0.00 2.89 2.90 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 29 A 8.35 4.02 1.30 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 30 D 8.15 4.48 0.00 2.81 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 31 G 8.25 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 32 N 8.96 4.66 0.00 2.87 2.76 0.00 0.00 6.73 8.04 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 33 P 0.00 5.01 0.00 2.07 2.04 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 34 Q 9.12 4.80 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.74 0.00 0.00 0.00 0.00 0.00 2.26 2.45 0.00 35 V 8.10 5.01 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 0.71 0.00 0.00 1.07 0.00 0.00 36 G 8.96 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 0.00 0.00 0.00 0.00 37 P 0.00 3.95 0.00 1.72 1.31 0.00 3.67 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.88 0.00 38 K 8.65 4.22 0.00 1.54 1.45 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.62 1.25 7.81 39 G 8.53 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.14 4.33 0.00 3.93 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 *42 T 8.26 4.19 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 43 V 8.41 3.96 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 0.79 0.00 0.00 0.82 0.00 0.00 44 L 8.82 4.33 0.00 1.82 1.73 1.06 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 D 7.37 4.57 0.00 2.87 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 46 P 0.00 4.41 0.00 2.20 2.32 0.00 3.55 0.00 0.00 3.78 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 47 S 8.72 4.79 0.00 3.73 3.67 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 48 H 8.34 5.39 0.00 3.21 3.15 0.00 5.75 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 49 L 8.88 5.36 0.00 1.57 1.59 0.68 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 50 Q 9.08 5.25 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.69 0.00 0.00 0.00 0.00 0.00 2.29 2.58 0.00 51 Y 8.83 5.19 0.00 2.98 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 52 L 8.79 4.91 0.00 1.44 1.53 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 53 E 9.38 4.47 0.00 2.12 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 2.31 2.16 0.00 54 K 8.57 3.97 0.00 1.60 1.67 0.00 1.35 0.00 0.00 0.88 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.00 1.12 7.81 55 T 7.80 4.16 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 1.15 0.00 0.00 56 K 8.22 3.51 0.00 1.53 1.12 0.00 1.21 0.00 0.00 0.98 0.00 0.00 2.13 0.00 0.00 2.57 0.00 0.00 0.00 0.00 0.33 0.79 7.81 57 G 7.28 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 58 E 8.84 4.04 0.00 2.08 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 2.40 2.40 0.00 59 A 8.01 4.09 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 60 Y 8.14 4.13 0.00 3.18 3.34 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 61 E 8.34 3.73 0.00 2.21 1.97 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 2.75 2.57 0.00 62 N 8.49 4.36 0.00 2.89 3.01 0.00 0.00 7.01 8.03 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 63 I 8.02 3.71 1.99 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.75 0.93 0.00 0.00 64 K 7.81 3.74 0.00 1.26 1.75 0.00 1.70 0.00 0.00 1.36 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.37 7.81 65 R 7.05 4.40 0.00 1.92 1.92 0.00 3.16 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 66 G 7.87 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 67 S 7.98 4.19 0.00 4.14 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 68 K 8.64 4.44 0.00 1.71 1.93 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.45 7.81 69 V 8.93 4.65 2.16 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 1.11 0.00 0.00 1.02 0.00 0.00 70 A 8.93 5.27 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 71 L 9.05 5.51 0.00 1.83 1.78 1.01 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.91 4.90 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 0.84 0.00 0.00 0.93 0.00 0.00 73 A 8.72 4.76 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.49 4.86 1.14 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 0.00 0.00 75 D 8.79 4.67 0.00 2.69 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 76 V 8.13 3.52 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 0.86 0.00 0.00 0.86 0.00 0.00 77 P 0.00 4.24 0.00 2.08 2.11 0.00 3.84 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 2.07 0.00 78 S 8.02 4.45 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 79 H 7.82 4.02 0.00 3.30 3.43 0.00 5.79 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 T 7.42 4.86 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 1.26 0.00 0.00 81 A 8.17 4.99 1.15 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 0.00 0.00 82 V 8.50 4.75 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 0.56 0.00 0.00 1.15 0.00 0.00 83 R 9.19 5.30 0.00 1.87 1.84 0.00 2.91 0.00 0.00 2.98 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 84 V 9.10 5.25 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 0.91 0.00 0.00 1.06 0.00 0.00 85 L 9.07 5.29 0.00 2.03 1.69 0.98 0.92 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 86 A 9.19 5.25 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 87 T 8.72 4.89 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 1.32 0.00 0.00 88 A 8.48 5.17 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 89 E 9.20 4.49 0.00 1.98 1.75 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 2.06 1.93 0.00 90 V 8.37 4.41 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 0.87 0.00 0.00 0.95 0.00 0.00 91 H 9.33 4.69 0.00 3.28 3.47 0.00 5.66 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.82 3.58 0.00 1.63 1.18 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 1.47 1.86 0.00 93 D 7.44 4.66 0.00 2.62 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.05 4.79 0.00 3.04 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 95 D 8.56 4.41 0.00 2.76 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 96 Y 8.09 4.02 0.00 2.98 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 97 A 8.78 3.90 1.51 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 0.00 0.00 98 K 8.05 3.88 0.00 1.99 1.86 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.61 7.81 99 K 7.78 3.84 0.00 1.87 1.79 0.00 1.80 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.41 7.81 100 V 7.53 3.56 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 0.87 0.00 0.00 0.36 0.00 0.00 101 L 8.22 4.15 0.00 1.76 1.72 1.10 1.12 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 0.00 102 A 7.70 4.10 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 0.00 103 K 7.35 4.38 0.00 2.13 1.83 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.96 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.43 1.24 7.81 104 T 7.74 4.70 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 105 E 8.37 4.22 0.00 2.01 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 2.20 1.89 0.00 106 F 8.14 5.04 0.00 3.02 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 0.00 107 P 0.00 4.42 0.00 2.18 2.17 0.00 3.75 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 108 N 8.02 4.79 0.00 2.71 2.84 0.00 0.00 6.91 7.35 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 0.00 109 A 7.74 4.18 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 0.00 110 F 8.60 5.12 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 0.00 111 V 8.68 4.62 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 0.94 0.00 0.00 0.91 0.00 0.00 112 V 8.40 4.71 0.71 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 0.86 0.00 0.00 0.76 0.00 0.00 113 N 9.16 5.33 0.00 2.81 2.75 0.00 0.00 6.36 7.21 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 0.00 114 L 9.09 5.22 0.00 1.58 1.60 1.11 0.68 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 0.00 115 N 9.13 5.06 0.00 2.61 2.72 0.00 0.00 6.59 7.02 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 0.00 116 I 8.50 4.21 1.99 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.50 0.94 0.00 0.00 117 E 9.37 4.48 0.00 1.94 1.99 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 2.27 2.24 0.00 118 E 7.91 4.73 0.00 1.93 1.64 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 1.52 1.47 0.00 119 V 8.09 4.93 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 1.12 0.00 0.00 0.97 0.00 0.00 120 F 9.40 5.46 0.00 2.94 2.88 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 0.00 121 A 8.85 4.28 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 * Residues marked with a * may have inaccurate shift predictions.