NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 K 4.7639 8.1727 122.0779 56.4060 34.1071 174.0238 23 L 5.6521 9.3859 129.2836 51.4080 46.0354 169.6743 24 V 5.0591 9.2874 126.2545 61.1982 35.3832 173.3577 25 L 5.0457 8.6539 127.8282 53.6595 43.5321 175.7131 26 L 4.4659 9.5905 122.1851 52.2119 46.2739 175.6979 27 G 4.6392 7.6246 108.7873 43.9590 0.0000 172.0906 28 E 4.4918 8.4981 121.5314 56.0002 30.1355 176.4110 29 S 4.2549 8.5270 118.1289 59.7155 63.7495 175.0375 30 A 3.8368 8.8591 125.3424 52.9667 15.6674 179.4397 31 V 3.8271 7.7169 109.0548 63.0206 31.9958 177.0082 32 G 4.1101 7.8959 108.7359 45.2075 0.0000 175.6518 33 K 3.9039 8.0685 120.9007 59.4803 32.4913 178.6729 34 S 5.0058 8.2213 116.3479 61.4158 62.9615 176.6101 35 S 4.2033 8.0608 116.3579 61.5133 62.1822 175.9577 36 L 4.2630 8.1163 123.7556 57.8192 41.5980 179.2604 37 V 3.8019 8.3760 118.6085 65.7517 31.5709 177.6768 38 L 4.1351 7.9551 118.1935 57.8944 41.5070 178.9435 39 R 4.1059 8.4914 119.9942 59.0222 29.7489 177.9856 40 F 4.0270 7.6357 118.0456 61.2882 39.4567 177.0415 41 V 3.1527 8.2657 117.3950 65.4685 31.5007 177.3223 42 K 4.2046 8.1846 116.2636 59.3216 32.9358 177.3944 43 G 4.2644 7.9542 103.0455 45.3482 0.0000 173.7597 44 Q 4.3871 7.8946 119.8265 55.6855 30.0955 174.1740 45 F 4.6630 8.1118 118.3247 57.5246 42.0233 172.8956 *49 Q 4.0062 8.3303 127.2408 55.5663 29.7118 174.3089 50 E 4.2285 8.2843 120.7693 55.7997 30.2729 176.8451 51 S 4.3459 8.2377 114.8834 58.3310 63.1550 173.5896 52 T 4.1514 8.2831 123.1476 62.9855 69.0649 174.4542 53 I 4.1988 8.3664 127.4015 61.3270 38.8959 175.6435 54 G 3.3494 9.6881 119.8221 44.2739 0.0000 172.8062 55 A 4.6880 8.2254 113.8082 50.9543 22.6775 177.6306 56 A 4.9213 8.7367 122.5144 50.2170 22.7735 175.3515 57 F 4.9132 8.3784 120.1597 56.5588 42.3293 173.8323 58 L 4.3607 7.8478 124.7533 53.1375 46.2247 175.1058 59 T 4.6255 7.4797 112.0075 60.2596 71.6177 174.2245 60 Q 4.1919 8.1476 119.3544 56.2409 29.9117 172.8709 61 T 4.6695 8.1285 120.9816 61.7620 70.9048 174.4226 62 V 4.4425 7.8819 115.9648 60.3113 35.8978 173.6918 63 C 4.7797 8.1697 121.4185 57.8109 33.6137 172.2928 *66 D 4.6240 8.2461 117.9427 52.7800 40.6977 175.0947 67 T 4.6828 7.5846 113.9202 60.0251 70.6545 174.6325 68 T 4.6544 7.8053 119.4081 62.7831 69.9815 173.0980 69 V 3.8111 7.2653 122.3621 62.6014 33.7520 175.3990 *72 E 4.1235 8.2113 119.5985 56.1868 29.8016 175.3948 73 I 4.7743 8.3419 121.9830 59.8917 39.6289 176.6296 74 W 5.1278 9.4871 129.1661 55.4878 30.3761 175.4264 75 D 5.0341 9.2418 127.7424 53.3508 40.1821 175.6021 76 T 4.1829 7.9503 113.7901 60.5963 70.0970 174.3557 77 A 4.0617 8.4138 126.3878 52.0073 18.3497 178.2494 78 G 4.1731 8.8524 110.5514 45.9495 0.0000 174.1225 79 Q 4.2725 8.1986 119.8479 55.2989 29.4994 176.8537 80 E 4.0138 9.2350 122.5348 59.9758 29.2504 179.9311 81 R 3.8050 7.8620 114.3027 59.4611 29.5182 177.8217 82 Y 4.4690 8.2451 116.6798 59.6163 37.9895 176.7668 83 H 4.3919 8.4718 120.9094 59.5421 29.7347 176.8018 84 S 4.3260 8.1624 112.3242 60.1152 62.9078 174.6560 85 L 4.3349 8.8081 121.4530 56.7106 41.9900 178.8376 86 A 4.5400 8.3189 121.0953 54.9811 18.1769 177.7565 87 P 3.2778 0.0000 0.0000 65.6376 31.3264 178.2619 88 M 3.9009 8.7014 117.4951 57.4490 31.8719 177.3812 89 Y 3.9474 8.9517 116.9197 59.2238 38.7328 176.5754 90 Y 4.7886 7.4843 115.4567 57.1566 38.6164 174.9390 91 R 4.3500 7.7068 122.0275 58.1689 30.1728 175.6933 92 G 3.8530 9.2766 113.4847 45.2397 0.0000 171.5444 93 A 4.7549 7.7233 122.2706 49.8571 20.2319 177.5812 94 Q 4.3443 8.7839 121.4979 58.6829 29.9442 175.8910 95 A 5.2415 8.0616 120.2875 50.4800 23.3516 174.8387 96 A 5.0541 9.1854 120.9472 50.7117 23.3686 175.2763 97 I 4.6325 8.3068 122.5899 59.7325 39.4470 174.9290 98 V 4.5571 8.8003 128.0272 61.5057 32.5461 174.4147 99 V 4.6838 8.5754 129.0564 61.5802 33.8071 174.2218 100 Y 5.1338 8.4988 124.7690 55.2656 42.3108 172.9994 101 D 5.1416 8.9250 118.0922 52.3776 43.4422 176.9706 102 I 4.2719 8.4088 120.2590 63.9439 37.7613 177.3464 103 T 4.2540 8.0446 113.1424 62.4569 67.4818 174.2267 104 N 4.8868 8.6222 119.1564 51.6530 40.5743 173.5270 105 E 4.0307 8.7388 128.7575 58.9744 29.7731 177.9256 106 E 3.9731 8.3370 119.0603 59.1720 29.8050 178.2559 107 S 4.5897 9.3200 117.2929 61.1629 62.8880 176.7401 108 F 4.2159 8.2377 122.9910 60.8873 38.8067 176.8729 109 A 3.5773 7.4526 119.3843 55.1870 18.4857 179.1555 110 R 3.8862 8.4930 116.8063 59.4976 30.3156 178.2080 111 A 4.2613 8.3010 120.9912 55.5479 18.3604 179.5079 112 K 3.9502 7.6989 117.8703 59.0990 32.1567 179.0267 113 N 4.2620 8.0034 116.3508 56.2390 38.2236 177.3199 114 W 4.1526 8.0757 118.4425 59.7739 29.4245 178.0359 115 V 3.8269 7.9170 117.6518 66.3366 30.7569 177.9254 116 K 3.8629 7.9915 116.6678 59.8230 32.0372 178.5730 117 E 4.1096 8.0262 117.7015 58.6258 29.8682 176.8339 118 L 4.3199 7.8407 118.7795 52.1588 45.5441 174.7974 *126 I 4.0440 7.6259 118.3424 61.2229 38.8511 175.2106 127 V 3.8518 8.5993 128.4605 62.7117 32.6601 174.6756 128 I 4.9127 8.4370 128.8105 59.6211 38.9637 174.4290 129 A 4.4550 8.7255 129.8082 51.0730 20.0089 175.8387 130 L 5.2605 8.0890 121.1515 53.8284 45.7512 175.6941 131 S 4.8152 8.1399 116.6512 57.8069 65.8462 173.4801 132 G 3.5781 8.5328 116.5085 44.6896 0.0000 172.0932 133 N 4.9544 8.1393 126.0244 52.3579 41.2332 174.4797 134 K 4.4555 9.0047 115.0576 56.1066 29.8227 177.4821 135 A 3.9747 8.1119 124.6447 55.1087 18.7405 179.4314 136 D 4.4918 8.3562 115.3164 56.7682 39.2296 176.9241 137 L 4.2956 8.1564 120.6360 53.2052 39.3429 177.2126 138 A 4.0309 8.0713 125.5575 54.4090 19.0122 178.8150 139 N 4.3896 8.3767 113.7958 54.9917 37.1739 174.8605 140 K 4.7176 7.6848 116.7983 55.0414 35.3127 176.9827 141 R 4.6992 8.2842 121.5835 54.8407 31.0841 175.4766 142 A 4.1089 8.1062 121.3931 54.7293 19.1186 178.7960 143 V 4.2023 7.3948 107.6072 60.2951 33.4237 175.3396 144 D 4.9191 8.0718 120.3217 52.1605 43.1804 176.0652 145 F 4.2951 9.0111 129.0973 61.9468 39.4752 176.9074 146 Q 3.4100 8.3334 118.3446 58.7840 28.9126 177.6205 147 E 3.8679 9.1308 122.0157 58.7055 29.7817 178.4251 148 A 3.8071 8.2385 121.1472 55.0910 18.1911 179.2512 149 Q 3.4443 7.9973 118.7997 60.0047 28.9741 178.0375 150 S 4.0066 8.3525 115.8381 61.4968 62.2485 175.8163 151 Y 4.1490 9.0182 121.6708 61.4515 38.6955 178.6608 152 A 3.9888 8.3441 121.8328 55.3528 18.0678 179.3106 153 D 4.3064 8.7504 116.9361 57.2255 40.7593 178.8978 154 D 4.4644 8.6629 119.3842 56.1806 40.7983 176.6206 155 N 4.6504 7.6699 114.0706 51.8736 40.3891 173.5695 156 S 3.6792 7.5432 111.5598 58.6872 60.3529 170.2122 157 L 4.9433 7.3100 119.7406 52.7645 46.1198 178.1436 158 L 4.3843 8.1143 123.7754 53.7935 39.8545 176.3554 159 F 4.7400 7.9467 121.7041 58.8748 41.0140 174.9784 160 M 4.0349 6.2982 122.3349 54.8403 36.4847 174.1379 161 E 4.4569 8.3818 126.9766 56.6345 30.7371 176.3170 162 T 5.1036 8.5044 112.5292 59.4962 73.5916 172.8230 163 S 4.4002 8.3520 115.1925 56.7433 64.4141 173.9443 164 A 4.0759 8.8228 131.5894 55.0584 18.0294 177.9132 165 K 2.7222 7.4472 115.5932 59.3485 32.2614 177.4569 166 T 3.7830 7.0151 114.2377 62.9676 69.7793 176.1438 167 S 4.1648 8.8609 116.1549 58.3706 62.0480 168.2669 168 M 4.0915 7.6287 121.3453 57.6011 32.2863 176.1929 169 N 4.1633 9.0712 120.7471 54.0044 36.3243 175.8782 170 V 3.7536 6.9368 117.8545 65.9009 31.3902 177.4273 171 N 4.6405 8.2250 116.0703 56.3697 38.7028 177.3783 172 E 3.9289 8.1449 119.6180 59.4310 29.5067 178.6788 173 I 3.5510 7.8422 117.5438 64.2567 38.1409 177.4977 174 F 3.7969 7.8848 118.0014 60.7035 38.6921 177.2419 175 M 4.0643 8.6840 118.2358 58.7988 31.6797 178.7045 176 A 4.0400 8.4005 119.3715 55.3693 18.7108 179.4071 177 I 3.8735 8.0036 118.3005 64.1712 37.0887 178.3936 178 A 4.0775 7.9485 122.2973 54.9924 18.4670 178.9972 179 K 4.1762 7.9799 113.3667 57.7830 32.3440 177.5126 180 K 4.3557 7.5591 118.6032 56.0184 32.3707 176.1451 181 L 4.4453 7.2899 117.8383 53.7581 42.6608 175.0531 182 P 4.4328 0.0000 0.0000 63.1935 31.3783 176.2427 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 22 K 8.17 4.76 0.00 2.24 2.02 0.00 1.83 0.00 0.00 2.10 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.72 1.92 7.81 23 L 9.39 5.65 0.00 1.80 1.55 0.84 0.47 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 24 V 9.29 5.06 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 1.13 0.00 0.00 1.20 0.00 0.00 25 L 8.65 5.05 0.00 1.66 1.48 1.05 0.45 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 26 L 9.59 4.47 0.00 0.80 0.13 0.73 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 27 G 7.62 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.50 4.49 0.00 2.19 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 2.49 2.46 0.00 29 S 8.53 4.25 0.00 4.00 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 30 A 8.86 3.84 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 31 V 7.72 3.83 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 0.88 0.00 0.00 1.14 0.00 0.00 32 G 7.90 4.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.07 3.90 0.00 1.76 1.84 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.52 1.50 7.81 34 S 8.22 5.01 0.00 3.87 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 35 S 8.06 4.20 0.00 4.08 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 36 L 8.12 4.26 0.00 2.19 1.92 1.02 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 V 8.38 3.80 2.26 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 0.98 0.00 0.00 1.09 0.00 0.00 38 L 7.96 4.14 0.00 1.91 1.71 0.93 0.77 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 39 R 8.49 4.11 0.00 2.00 2.15 0.00 3.21 0.00 0.00 3.22 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 40 F 7.64 4.03 0.00 2.63 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 41 V 8.27 3.15 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 0.68 0.00 0.00 0.87 0.00 0.00 42 K 8.18 4.20 0.00 1.75 1.83 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.59 7.81 43 G 7.95 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 0.00 0.00 0.00 0.00 44 Q 7.89 4.39 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.73 0.00 0.00 0.00 0.00 0.00 2.44 2.32 0.00 45 F 8.11 4.66 0.00 2.90 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 *49 Q 8.33 4.01 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.18 2.32 0.00 50 E 8.28 4.23 0.00 1.99 1.88 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 2.30 2.27 0.00 51 S 8.24 4.35 0.00 3.86 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 52 T 8.28 4.15 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 1.14 0.00 0.00 53 I 8.37 4.20 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 1.43 0.57 1.02 0.00 0.00 54 G 9.69 3.35 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 0.00 55 A 8.23 4.69 0.81 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 56 A 8.74 4.92 1.23 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 0.00 0.00 0.00 57 F 8.38 4.91 0.00 1.85 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 58 L 7.85 4.36 0.00 1.32 1.20 0.82 0.09 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 59 T 7.48 4.63 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 1.03 0.00 0.00 60 Q 8.15 4.19 0.00 1.69 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 1.90 1.85 0.00 61 T 8.13 4.67 4.22 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 1.27 0.00 0.00 62 V 7.88 4.44 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 0.62 0.00 0.00 0.95 0.00 0.00 63 C 8.17 4.78 0.00 2.90 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 *66 D 8.25 4.62 0.00 2.86 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 67 T 7.58 4.68 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 1.23 0.00 0.00 68 T 7.81 4.65 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 1.27 0.00 0.00 69 V 7.27 3.81 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 0.83 0.00 0.00 0.95 0.00 0.00 *72 E 8.21 4.12 0.00 2.17 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 0.00 2.48 2.47 0.00 73 I 8.34 4.77 1.86 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.02 1.03 0.00 0.00 74 W 9.49 5.13 0.00 3.42 3.29 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 0.00 75 D 9.24 5.03 0.00 2.80 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 76 T 7.95 4.18 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 0.86 0.00 0.00 77 A 8.41 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 G 8.85 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 0.00 0.00 0.00 0.00 79 Q 8.20 4.27 0.00 2.35 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.71 0.00 0.00 0.00 0.00 0.00 2.59 2.60 0.00 80 E 9.23 4.01 0.00 1.98 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 2.45 2.36 0.00 81 R 7.86 3.80 0.00 1.65 1.90 0.00 2.53 0.00 0.00 3.00 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.74 0.00 82 Y 8.25 4.47 0.00 3.25 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 83 H 8.47 4.39 0.00 3.34 3.34 0.00 5.61 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 S 8.16 4.33 0.00 4.03 3.97 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 85 L 8.81 4.33 0.00 2.22 1.96 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.32 4.54 1.85 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 0.00 0.00 87 P 0.00 3.28 0.00 1.86 1.98 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.16 0.00 88 M 8.70 3.90 0.00 1.26 1.85 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.60 0.00 89 Y 8.95 3.95 0.00 3.08 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 90 Y 7.48 4.79 0.00 2.94 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 91 R 7.71 4.35 0.00 1.91 1.77 0.00 3.16 0.00 0.00 3.18 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.54 0.00 92 G 9.28 3.85 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 0.00 0.00 0.00 93 A 7.72 4.75 1.40 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 94 Q 8.78 4.34 0.00 2.15 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.37 0.00 95 A 8.06 5.24 1.23 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 0.00 0.00 0.00 96 A 9.19 5.05 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 97 I 8.31 4.63 1.70 0.00 0.00 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.37 0.75 0.00 0.00 98 V 8.80 4.56 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 1.12 0.00 0.00 0.96 0.00 0.00 99 V 8.58 4.68 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 0.88 0.00 0.00 0.88 0.00 0.00 100 Y 8.50 5.13 0.00 3.41 3.29 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 0.00 101 D 8.92 5.14 0.00 2.87 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 0.00 102 I 8.41 4.27 1.96 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 1.29 0.43 1.01 0.00 0.00 103 T 8.04 4.25 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 1.36 0.00 0.00 104 N 8.62 4.89 0.00 2.77 2.88 0.00 0.00 6.76 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 0.00 105 E 8.74 4.03 0.00 2.24 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 2.41 2.45 0.00 106 E 8.34 3.97 0.00 2.07 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 2.37 2.35 0.00 107 S 9.32 4.59 0.00 4.29 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 0.00 108 F 8.24 4.22 0.00 2.49 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 0.00 109 A 7.45 3.58 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 0.00 110 R 8.49 3.89 0.00 1.98 2.21 0.00 3.10 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.84 0.00 111 A 8.30 4.26 1.69 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 0.00 112 K 7.70 3.95 0.00 1.68 1.71 0.00 0.95 0.00 0.00 0.72 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.30 0.43 7.81 113 N 8.00 4.26 0.00 2.83 2.68 0.00 0.00 7.08 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 0.00 114 W 8.08 4.15 0.00 3.51 3.24 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 0.00 115 V 7.92 3.83 2.37 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 1.14 0.00 0.00 1.26 0.00 0.00 116 K 7.99 3.86 0.00 1.95 1.89 0.00 1.75 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.65 7.81 117 E 8.03 4.11 0.00 2.11 2.26 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 2.44 2.40 0.00 118 L 7.84 4.32 0.00 1.79 1.54 0.97 0.25 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 *126 I 7.63 4.04 1.87 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.89 0.89 0.00 0.00 127 V 8.60 3.85 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 0.87 0.00 0.00 0.94 0.00 0.00 128 I 8.44 4.91 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 1.26 0.80 0.93 0.00 0.00 129 A 8.73 4.45 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 0.00 130 L 8.09 5.26 0.00 1.99 1.99 1.15 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.14 4.82 0.00 3.86 3.60 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 0.00 132 G 8.53 3.58 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 0.00 0.00 0.00 133 N 8.14 4.95 0.00 2.77 2.81 0.00 0.00 7.08 6.80 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 0.00 134 K 9.00 4.46 0.00 2.13 1.87 0.00 2.18 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.44 7.81 135 A 8.11 3.97 1.32 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 0.00 0.00 0.00 136 D 8.36 4.49 0.00 2.77 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 0.00 137 L 8.16 4.30 0.00 1.83 1.87 0.95 0.68 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 0.00 138 A 8.07 4.03 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 0.00 139 N 8.38 4.39 0.00 2.97 3.13 0.00 0.00 5.80 7.17 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 0.00 140 K 7.68 4.72 0.00 1.84 1.82 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.34 1.54 7.81 141 R 8.28 4.70 0.00 1.79 1.91 0.00 3.43 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.59 0.00 142 A 8.11 4.11 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 0.00 143 V 7.39 4.20 1.74 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 0.81 0.00 0.00 1.16 0.00 0.00 144 D 8.07 4.92 0.00 2.77 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 F 9.01 4.30 0.00 3.28 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 0.00 146 Q 8.33 3.41 0.00 2.35 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.69 0.00 0.00 0.00 0.00 0.00 2.48 2.48 0.00 147 E 9.13 3.87 0.00 2.18 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 2.34 2.31 0.00 148 A 8.24 3.81 0.55 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 0.00 149 Q 8.00 3.44 0.00 1.51 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.24 2.46 0.00 150 S 8.35 4.01 0.00 4.15 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 0.00 151 Y 9.02 4.15 0.00 3.14 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 0.00 152 A 8.34 3.99 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 0.00 153 D 8.75 4.31 0.00 2.70 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 0.00 154 D 8.66 4.46 0.00 2.54 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 0.00 155 N 7.67 4.65 0.00 2.44 2.61 0.00 0.00 6.94 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 S 7.54 3.68 0.00 4.01 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 0.00 157 L 7.31 4.94 0.00 1.66 1.66 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 158 L 8.11 4.38 0.00 1.71 1.63 0.98 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 159 F 7.95 4.74 0.00 2.95 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 0.00 160 M 6.30 4.03 0.00 2.08 1.77 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 161 E 8.38 4.46 0.00 1.78 1.80 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 2.42 2.66 0.00 162 T 8.50 5.10 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 1.18 0.00 0.00 163 S 8.35 4.40 0.00 3.91 3.66 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 0.00 164 A 8.82 4.08 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 0.00 0.00 0.00 0.00 0.00 165 K 7.45 2.72 0.00 1.47 1.50 0.00 0.81 0.00 0.00 1.28 0.00 0.00 2.97 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.39 1.22 7.81 166 T 7.02 3.78 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 1.12 0.00 0.00 167 S 8.86 4.16 0.00 4.16 4.30 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 0.00 168 M 7.63 4.09 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 169 N 9.07 4.16 0.00 2.99 2.80 0.00 0.00 6.77 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 0.00 170 V 6.94 3.75 2.25 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 1.21 0.00 0.00 1.02 0.00 0.00 171 N 8.23 4.64 0.00 2.94 3.02 0.00 0.00 6.90 7.66 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 0.00 172 E 8.14 3.93 0.00 2.08 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 2.30 2.30 0.00 173 I 7.84 3.55 1.82 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 1.25 0.36 0.76 0.00 0.00 174 F 7.88 3.80 0.00 2.91 2.65 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 0.00 175 M 8.68 4.06 0.00 2.02 2.29 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 3.07 0.00 176 A 8.40 4.04 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 0.00 177 I 8.00 3.87 1.94 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 1.37 1.03 0.87 0.00 0.00 178 A 7.95 4.08 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 0.00 179 K 7.98 4.18 0.00 1.80 1.89 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.56 7.81 180 K 7.56 4.36 0.00 1.87 1.92 0.00 1.79 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.39 1.40 7.81 181 L 7.29 4.45 0.00 1.78 1.60 0.96 0.99 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 0.00 182 P 0.00 4.43 0.00 2.19 2.04 0.00 3.82 0.00 0.00 3.71 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 * Residues marked with a * may have inaccurate shift predictions.