NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2927 8.4293 121.4727 56.0450 30.8213 176.1361 3 T 4.0232 8.2023 116.9437 60.7850 71.0649 173.8432 4 A 3.9921 8.8978 125.5677 55.2711 18.8778 181.1767 5 A 3.9461 8.0153 118.6007 55.2994 18.5560 179.5314 6 A 3.9951 8.0023 119.1829 55.1297 18.3543 179.7473 7 K 4.0269 8.3650 118.3198 59.6176 32.2391 178.7133 8 F 4.0952 8.3141 120.9292 61.4921 39.1816 176.9607 9 E 4.0276 8.3999 118.1455 59.3885 29.0152 179.4019 10 R 3.9108 7.9558 117.9395 59.5285 30.2653 178.2581 11 Q 3.9508 8.0969 117.0975 58.1097 29.1082 176.3026 12 H 4.7993 7.9756 113.4634 53.8142 31.4475 173.0931 13 M 4.8317 7.7418 118.9706 53.4371 33.8003 176.4641 14 D 4.8150 9.0072 123.4547 52.5382 41.8322 173.2151 15 S 4.7976 8.1538 116.2186 58.6554 63.8839 174.4229 16 S 4.4513 8.9778 119.8693 57.6949 67.1585 175.7160 17 T 4.2433 8.2805 120.0035 60.4056 66.3314 172.9648 *20 A 4.2703 7.8532 127.4462 51.7898 20.8085 177.8901 21 S 3.8416 7.4905 112.0209 58.6202 63.0398 175.0672 22 S 4.4904 8.5293 120.5286 57.3535 63.8319 175.1328 23 S 4.2717 8.5128 114.5210 60.7444 62.9709 174.8010 24 N 4.6567 8.0593 117.4915 54.1029 39.2015 176.2225 25 Y 4.0232 8.0498 120.1778 61.2098 38.6737 177.5879 26 C 4.1675 8.4928 117.0112 60.0211 38.5734 175.7072 27 N 4.3702 8.2906 117.5733 56.6518 38.0795 177.2277 28 Q 4.1624 7.8181 118.5440 59.0032 28.9933 178.4543 29 M 3.8001 7.7787 121.3904 57.8691 31.7738 178.7213 30 M 4.0563 8.0621 119.1177 57.9694 31.9939 178.8703 31 K 4.0062 7.7348 121.3218 59.0367 32.3395 179.2391 32 S 4.1830 8.1899 114.5249 60.8621 62.5628 175.4521 33 R 4.3972 7.6874 119.4139 54.9373 30.3322 175.7459 34 N 4.2108 7.9444 114.7575 54.8136 36.2118 174.8228 35 L 4.5822 8.1790 116.2796 54.9650 42.4051 178.0023 36 T 5.4974 7.5237 107.7922 60.3127 69.4533 175.9242 37 K 4.0919 8.4994 124.9250 59.7569 32.5478 177.3335 38 D 4.6957 8.1731 116.1888 54.7098 40.5771 175.9538 39 R 3.9863 7.2911 113.8492 54.3149 32.2473 174.4063 40 C 4.7358 8.5830 116.0722 55.9846 39.7612 173.9107 41 K 4.1712 8.1996 127.3562 55.8489 32.2086 174.8175 42 P 4.5765 0.0000 0.0000 65.1573 32.4159 176.6883 43 V 4.9957 7.6415 117.1848 61.1679 34.5671 174.2023 44 N 4.8506 9.1263 125.1422 52.4856 42.9079 172.8118 45 T 4.8149 7.9522 121.3513 61.6557 71.6756 172.7896 46 F 4.9394 8.9539 125.0905 55.7689 41.7085 174.7620 47 V 4.5597 8.8633 123.2239 61.6960 33.4892 175.5057 48 H 5.6234 9.0920 123.8236 55.3256 29.9796 175.2208 49 E 4.5307 8.1406 118.4950 55.3181 30.5441 176.9762 50 S 4.3922 8.3012 114.9159 58.1705 64.9858 174.8715 51 L 3.9873 8.5315 124.2151 58.3348 41.8611 179.0244 52 A 4.0110 8.0564 120.1550 55.5151 18.1100 179.2310 53 D 4.3429 7.8294 115.8018 57.4437 41.1596 178.9457 54 V 3.8052 7.8656 118.7074 66.0584 31.7144 178.0491 55 Q 3.9186 8.5302 118.0304 58.9647 28.5353 178.7788 56 A 4.0655 8.1176 121.4295 54.7041 18.2653 179.6855 57 V 3.5609 7.6401 117.0154 66.0258 31.2985 177.0746 58 C 3.8241 7.7870 114.7252 58.1595 39.9513 174.1902 59 S 4.5645 7.5241 113.7721 57.9233 63.9141 174.9684 60 Q 4.5415 7.4962 123.5105 56.0039 27.6343 176.7323 61 K 4.1699 7.6399 128.6731 56.8691 33.0775 176.0864 62 N 4.5916 8.8898 127.5834 53.8478 39.2294 174.3374 63 V 4.5936 8.1621 118.7350 58.8922 35.8723 175.6329 64 A 3.9890 8.4574 125.6158 52.4706 19.0419 178.5960 65 C 4.6647 8.5809 119.9971 56.1973 41.0912 175.1833 66 K 3.6929 8.8767 122.7329 59.5085 31.6991 177.8611 67 N 4.5470 8.0686 113.1942 52.8226 37.6773 175.8192 68 G 3.9307 8.1082 108.4581 45.4889 0.0000 174.1443 69 Q 4.2177 8.3816 119.2220 56.2391 29.2866 176.4386 70 T 4.2997 8.3040 107.8986 61.6633 69.1620 174.1340 71 N 4.9931 7.8150 118.8158 53.6694 38.5508 174.7619 72 C 5.3406 7.7398 115.6801 56.6383 43.4174 172.6153 73 Y 5.1475 8.7483 118.6486 56.4733 42.0996 173.8164 74 Q 5.1260 9.1194 125.6918 54.0794 31.3135 174.8269 75 S 4.4421 8.5485 121.8174 58.6828 63.1344 174.2902 76 Y 4.3783 8.9565 121.7775 60.5914 37.9617 176.6219 77 S 4.8783 7.8537 114.0594 56.8291 64.8678 173.8792 78 T 4.2089 8.1450 112.7674 62.1658 69.6947 173.4839 79 M 5.0280 9.0457 122.1715 53.3299 36.4467 174.8468 80 S 4.8509 9.4513 118.4404 58.4874 63.5837 173.0550 81 I 5.1653 9.0430 120.1726 59.5444 41.8140 174.1725 82 T 5.0160 8.9274 118.9664 62.0133 72.0530 172.8647 83 D 4.9867 9.2318 127.1625 53.3612 43.1075 174.7987 84 C 5.4393 9.3269 121.1054 55.2295 39.7336 172.8221 85 R 5.2833 8.7609 124.3137 54.0275 32.7256 174.2338 86 E 4.1285 9.2440 128.7258 56.5799 30.5336 176.7547 87 T 4.1787 8.6873 117.7945 60.9783 70.3412 176.0612 88 G 3.6198 8.6413 110.8695 48.5757 0.0000 175.0223 89 S 4.3076 7.8646 111.7577 58.6084 63.6759 174.2155 90 S 4.0745 7.3450 116.5080 58.4599 62.7226 173.4195 91 K 4.5235 8.3568 125.9984 54.3787 35.1863 175.0811 92 Y 4.2936 8.8323 125.3276 57.5645 38.9988 174.3929 93 P 3.2134 0.0000 0.0000 63.6632 32.3613 176.6966 94 N 4.6128 7.4442 118.9856 52.1139 36.9140 173.8966 95 C 4.3322 7.9043 116.3411 56.7173 41.0708 173.3601 96 A 5.1262 8.7462 126.0635 50.3230 21.6515 174.5549 97 Y 5.1722 9.4362 118.7767 56.0121 42.2081 175.0470 98 K 4.4276 9.3783 124.6536 56.1231 33.9891 175.3534 99 T 5.0991 8.5589 123.5352 62.3178 70.4893 173.9894 100 T 4.6214 8.6521 122.7371 61.7944 72.0878 173.5646 101 Q 4.7715 8.8374 125.4628 55.9219 29.9059 175.1183 102 A 4.6871 8.9053 122.7585 50.9535 23.6126 175.0672 103 N 5.3528 8.6831 115.9218 51.7602 41.0043 174.2015 104 K 4.7182 8.8355 122.3693 54.7650 37.6086 175.6888 105 H 4.7649 8.7713 119.3009 55.9549 29.9197 174.7910 106 I 4.8358 8.4915 115.8951 59.2969 40.6740 174.4034 107 I 4.9006 8.3229 124.6882 59.7140 39.7949 175.0892 108 V 4.7765 8.5095 119.5483 59.3409 35.7654 174.4273 109 A 5.0891 8.6978 124.8749 50.9247 20.8490 175.6241 110 C 5.1860 8.7618 118.7044 55.3429 38.0286 173.3715 111 E 4.6948 8.5691 119.6503 56.2423 34.0907 175.7262 112 G 4.1588 9.6369 108.0806 44.7732 0.0000 171.7280 113 N 4.9774 8.1533 116.1384 50.6660 40.2678 172.2658 114 P 4.3406 0.0000 0.0000 62.6452 32.0478 175.9666 115 Y 4.7310 8.3059 121.6190 56.9991 38.7159 174.6070 116 V 4.4638 8.0847 119.1772 58.3472 36.5890 173.5519 117 P 4.4803 0.0000 0.0000 62.9303 31.1216 176.8785 118 V 4.4831 8.5263 115.4827 61.1729 33.9717 175.2945 119 H 5.0262 7.8691 119.9026 54.8771 33.4684 171.6735 120 F 4.5841 8.7801 128.1922 57.4266 39.4013 174.3757 121 D 4.5485 8.3341 126.9850 56.1776 42.0225 175.9319 122 A 4.5891 6.4859 116.9766 51.3763 22.3763 174.9389 123 S 5.1979 8.8856 113.4189 56.6667 66.2760 174.6384 124 V 4.1447 8.8306 114.6236 61.7189 32.5210 175.4178 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 E 8.43 4.29 0.00 1.96 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 0.00 2.21 2.33 0.00 3 T 8.20 4.02 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 4 A 8.90 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 3.95 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 6 A 8.00 4.00 1.42 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 7 K 8.36 4.03 0.00 2.04 2.07 0.00 1.67 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.46 7.81 8 F 8.31 4.10 0.00 3.19 3.26 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 9 E 8.40 4.03 0.00 2.31 2.05 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 2.52 2.69 0.00 10 R 7.96 3.91 0.00 1.82 2.08 0.00 3.37 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 11 Q 8.10 3.95 0.00 1.66 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.47 0.00 0.00 0.00 0.00 0.00 2.24 2.47 0.00 12 H 7.98 4.80 0.00 1.84 2.61 0.00 5.59 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 13 M 7.74 4.83 0.00 1.89 2.18 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 14 D 9.01 4.81 0.00 2.75 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 15 S 8.15 4.80 0.00 3.83 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 16 S 8.98 4.45 0.00 3.65 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 17 T 8.28 4.24 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 1.21 0.00 0.00 *20 A 7.85 4.27 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 21 S 7.49 3.84 0.00 3.59 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 22 S 8.53 4.49 0.00 4.02 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 0.00 23 S 8.51 4.27 0.00 4.03 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 24 N 8.06 4.66 0.00 2.84 2.90 0.00 0.00 6.43 6.76 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 25 Y 8.05 4.02 0.00 3.15 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 26 C 8.49 4.17 0.00 3.15 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 27 N 8.29 4.37 0.00 2.93 2.92 0.00 0.00 7.15 7.74 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 28 Q 7.82 4.16 0.00 2.04 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.82 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 29 M 7.78 3.80 0.00 0.91 1.23 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.55 0.00 30 M 8.06 4.06 0.00 1.77 1.93 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 2.38 0.00 31 K 7.73 4.01 0.00 1.94 1.92 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.29 7.81 32 S 8.19 4.18 0.00 4.01 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 33 R 7.69 4.40 0.00 1.97 2.14 0.00 3.63 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.90 0.00 34 N 7.94 4.21 0.00 2.89 2.92 0.00 0.00 6.80 7.37 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 35 L 8.18 4.58 0.00 1.78 1.63 0.77 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.52 5.50 4.38 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 1.44 0.00 0.00 37 K 8.50 4.09 0.00 1.78 1.92 0.00 1.78 0.00 0.00 1.78 0.00 0.00 3.01 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.46 7.81 38 D 8.17 4.70 0.00 2.78 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 39 R 7.29 3.99 0.00 1.81 1.81 0.00 2.89 0.00 0.00 3.31 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 40 C 8.58 4.74 0.00 3.07 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 41 K 8.20 4.17 0.00 1.81 1.79 0.00 1.77 0.00 0.00 1.61 0.00 0.00 3.16 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.43 7.81 42 P 0.00 4.58 0.00 2.15 2.11 0.00 3.63 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.11 0.00 43 V 7.64 5.00 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 0.80 0.00 0.00 0.98 0.00 0.00 44 N 9.13 4.85 0.00 2.65 2.26 0.00 0.00 6.66 6.81 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 45 T 7.95 4.81 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 0.94 0.00 0.00 46 F 8.95 4.94 0.00 2.96 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 47 V 8.86 4.56 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 1.13 0.00 0.00 1.02 0.00 0.00 48 H 9.09 5.62 0.00 3.19 3.43 0.00 5.68 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.14 4.53 0.00 2.02 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 0.00 2.36 2.29 0.00 50 S 8.30 4.39 0.00 4.07 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 51 L 8.53 3.99 0.00 1.83 1.75 1.02 1.25 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 52 A 8.06 4.01 1.34 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 53 D 7.83 4.34 0.00 2.88 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 54 V 7.87 3.81 2.20 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 1.24 0.00 0.00 1.04 0.00 0.00 55 Q 8.53 3.92 0.00 2.30 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 56 A 8.12 4.07 1.42 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 57 V 7.64 3.56 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 1.08 0.00 0.00 0.99 0.00 0.00 58 C 7.79 3.82 0.00 2.93 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 59 S 7.52 4.56 0.00 3.94 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 60 Q 7.50 4.54 0.00 1.98 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.51 2.45 0.00 61 K 7.64 4.17 0.00 1.44 1.58 0.00 1.72 0.00 0.00 1.54 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.45 7.81 62 N 8.89 4.59 0.00 2.85 2.71 0.00 0.00 7.01 7.71 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 63 V 8.16 4.59 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 0.65 0.00 0.00 0.80 0.00 0.00 64 A 8.46 3.99 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 65 C 8.58 4.66 0.00 3.13 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 66 K 8.88 3.69 0.00 1.87 1.89 0.00 1.80 0.00 0.00 1.77 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 67 N 8.07 4.55 0.00 2.80 2.89 0.00 0.00 6.26 7.00 0.00 0.00 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 G 8.11 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 69 Q 8.38 4.22 0.00 2.24 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.74 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 70 T 8.30 4.30 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 1.18 0.00 0.00 71 N 7.82 4.99 0.00 3.10 3.17 0.00 0.00 6.04 7.68 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 72 C 7.74 5.34 0.00 2.90 2.85 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.75 5.15 0.00 2.83 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 74 Q 9.12 5.13 0.00 1.98 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 7.00 0.00 0.00 0.00 0.00 0.00 2.18 2.22 0.00 75 S 8.55 4.44 0.00 3.95 3.86 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 76 Y 8.96 4.38 0.00 3.07 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 77 S 7.85 4.88 0.00 3.92 3.83 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 78 T 8.15 4.21 4.17 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 0.99 0.00 0.00 79 M 9.05 5.03 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 80 S 9.45 4.85 0.00 3.91 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 81 I 9.04 5.17 1.92 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 1.35 0.68 1.02 0.00 0.00 82 T 8.93 5.02 4.32 0.00 0.00 0.00 0.00 0.00 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 83 D 9.23 4.99 0.00 2.60 2.60 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 0.00 0.00 0.00 0.00 84 C 9.33 5.44 0.00 2.80 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 85 R 8.76 5.28 0.00 1.95 1.81 0.00 3.14 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 86 E 9.24 4.13 0.00 2.11 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 2.03 1.69 0.00 87 T 8.69 4.18 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 88 G 8.64 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 S 7.86 4.31 0.00 3.97 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 90 S 7.34 4.07 0.00 3.91 3.83 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 91 K 8.36 4.52 0.00 1.75 1.66 0.00 1.77 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.59 1.34 7.81 92 Y 8.83 4.29 0.00 2.89 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 93 P 0.00 3.21 0.00 1.83 1.37 0.00 3.69 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 94 N 7.44 4.61 0.00 2.81 2.79 0.00 0.00 6.97 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 95 C 7.90 4.33 0.00 3.13 2.98 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 96 A 8.75 5.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 9.44 5.17 0.00 2.79 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 98 K 9.38 4.43 0.00 1.84 1.84 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.46 7.81 99 T 8.56 5.10 4.32 0.00 0.00 0.00 0.00 0.00 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 0.00 100 T 8.65 4.62 4.27 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 1.23 0.00 0.00 101 Q 8.84 4.77 0.00 1.91 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.77 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 102 A 8.91 4.69 1.21 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 0.00 103 N 8.68 5.35 0.00 2.55 2.74 0.00 0.00 6.71 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 0.00 104 K 8.84 4.72 0.00 1.71 1.80 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.88 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 8.77 4.76 0.00 3.19 3.21 0.00 5.78 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.49 4.84 1.85 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 1.12 0.00 0.00 107 I 8.32 4.90 1.66 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.72 0.77 0.00 0.00 108 V 8.51 4.78 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 0.75 0.00 0.00 0.84 0.00 0.00 109 A 8.70 5.09 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 0.00 110 C 8.76 5.19 0.00 1.91 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 0.00 0.00 0.00 111 E 8.57 4.69 0.00 1.82 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 2.26 2.23 0.00 112 G 9.64 4.16 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 0.00 0.00 0.00 113 N 8.15 4.98 0.00 2.64 2.72 0.00 0.00 6.90 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 0.00 114 P 0.00 4.34 0.00 2.23 2.05 0.00 3.83 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 115 Y 8.31 4.73 0.00 2.85 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 0.00 116 V 8.08 4.46 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 0.74 0.00 0.00 0.90 0.00 0.00 117 P 0.00 4.48 0.00 0.49 1.07 0.00 3.35 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 118 V 8.53 4.48 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 0.63 0.00 0.00 0.97 0.00 0.00 119 H 7.87 5.03 0.00 3.20 3.10 0.00 5.66 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 0.00 120 F 8.78 4.58 0.00 2.66 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 0.00 121 D 8.33 4.55 0.00 2.57 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 0.00 122 A 6.49 4.59 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 0.00 123 S 8.89 5.20 0.00 3.95 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 0.00 124 V 8.83 4.14 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 0.99 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.