NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4375 8.3049 120.3273 55.2882 32.1999 174.3925 2 K 4.4425 8.2478 122.5421 54.2860 34.7444 174.4475 3 T 4.6640 8.0876 117.3255 61.7755 71.4601 173.9472 4 I 4.7070 7.9657 117.7822 59.0043 40.8012 174.5145 5 E 4.5132 8.5101 120.9052 55.5674 30.7342 176.5017 6 V 4.4860 7.9470 114.5958 58.4658 35.7420 175.5428 7 D 4.4792 8.8535 124.4652 54.1248 40.6998 177.3329 8 D 4.5130 8.9122 121.4283 57.9338 40.6601 179.3882 9 E 4.0282 8.1471 118.3765 59.4029 29.5413 178.9495 10 L 4.1045 8.9042 120.7816 58.2790 42.2809 178.1070 11 Y 4.2226 8.2238 119.6004 61.1359 38.5124 178.5535 12 S 4.0439 8.0788 115.9527 61.2421 62.6624 176.0408 13 Y 4.2892 7.4856 122.0361 60.7601 38.8511 177.3939 14 I 3.6316 8.2014 120.9965 63.9362 37.1631 178.2325 15 A 3.8232 7.6200 121.5662 55.0493 18.0483 179.6212 16 S 4.2135 7.5264 110.6022 60.6461 62.9043 174.5056 17 H 4.6391 7.3042 118.7760 55.7831 28.5978 175.1259 18 T 4.0604 7.6475 117.5398 63.8066 68.4568 174.5876 19 K 4.5207 8.2367 123.9391 56.0291 33.3676 175.8137 20 H 4.6108 7.3286 112.2153 54.1913 30.6857 173.0786 21 I 3.7253 8.3824 123.4707 62.4209 38.2328 175.6824 22 G 4.1024 8.9695 116.2512 45.2838 0.0000 173.7014 23 E 4.1020 7.3265 117.8392 55.6941 30.4379 177.7500 24 S 4.3056 8.3988 116.5732 58.4696 65.1367 175.7537 25 R 3.9670 8.5424 121.9557 59.3035 29.6840 179.2663 26 S 4.0883 8.0650 114.9242 61.6986 62.9162 175.8289 27 D 4.3527 8.0424 121.1146 57.6803 40.6893 179.1908 28 I 3.5394 7.4552 119.2854 64.3740 37.0608 178.2076 29 L 3.8848 7.9445 119.5245 58.1971 41.4523 179.6611 30 R 3.7179 8.1702 117.9987 59.6260 29.9242 178.8508 31 R 3.6496 7.8323 118.0208 59.5917 30.0534 178.1651 32 M 3.9066 7.7541 118.1191 58.6684 31.8692 178.6695 33 L 3.9969 8.4942 118.5429 57.8454 42.2657 179.2041 34 K 4.2397 8.0395 119.0381 58.4877 32.1014 178.1119 35 F 4.7169 8.9045 114.3250 57.9357 38.0715 176.9832 36 S 4.3513 9.1138 114.4990 58.8554 63.2333 175.0831 37 A 4.2344 7.5791 123.3876 53.4883 17.0354 177.8834 38 A 4.4023 7.5125 117.3838 52.9900 19.6342 179.5010 39 S 4.0789 7.4342 109.8119 60.4643 63.4771 174.8554 40 Q 4.1293 7.2540 119.0692 55.1621 29.3710 175.2138 *60 K 4.3077 8.3805 118.3579 55.4851 33.2412 174.1934 61 P 4.5418 0.0000 0.0000 63.3613 31.9039 176.9801 62 V 4.4778 7.8771 108.9228 61.7087 34.3168 176.6480 63 K 4.0610 8.2483 121.2588 59.5656 32.3601 178.3810 64 T 4.2682 7.5191 108.9845 60.7901 71.3076 175.2793 65 I 3.4763 8.1843 123.5842 64.7102 37.1848 178.4065 66 K 3.9626 8.0307 119.6269 59.8106 32.0585 178.3456 67 D 4.4037 7.7751 118.8708 56.9692 40.7116 178.9818 68 K 4.0348 8.0145 119.2325 59.3180 32.0237 179.3211 69 V 3.7117 8.3123 118.9210 66.3757 31.5814 178.0755 70 R 3.8493 8.1653 117.8191 59.1592 29.6550 178.4352 71 A 3.9878 7.8467 120.4354 55.4811 18.5074 179.6104 72 M 3.9738 8.6576 117.4873 58.1717 31.8853 179.0800 73 R 3.8291 8.2680 119.4789 59.4787 30.0689 178.4104 74 E 3.9634 7.8016 116.7882 59.0895 29.6545 178.8518 75 L 4.0163 7.6037 120.2054 58.2506 41.9819 178.9172 76 L 3.6378 7.1387 116.9600 57.6773 41.6894 178.9543 77 L 4.3184 7.6573 116.0104 54.6221 42.1335 177.4967 78 S 4.4527 7.2942 114.1922 57.7717 64.3255 174.8404 79 D 4.4953 8.7550 121.9941 57.5036 40.6176 178.4684 80 E 3.9066 8.1983 119.2631 59.7373 28.1833 178.1144 81 Y 4.0786 8.1942 119.0210 60.5794 38.4843 178.0245 82 A 4.3369 7.7083 120.6259 54.8172 18.6503 179.0840 83 E 4.0163 7.9793 116.6075 58.3860 29.8593 178.2101 84 Q 3.9846 6.8193 116.8069 56.4978 29.1599 176.6949 85 K 4.3621 8.5356 120.1178 56.5539 34.2111 177.1720 86 R 4.5244 7.5153 117.2378 54.4462 33.1397 177.1283 87 A 3.9893 8.2554 122.8127 55.3719 18.5305 180.3808 88 V 3.5437 7.8422 117.2566 65.2648 31.1184 178.2791 89 N 4.3343 8.0623 116.3240 56.2090 38.6011 177.4019 90 R 3.8506 7.6870 119.6156 59.0566 30.0985 178.6247 91 F 4.2771 9.0240 120.9822 61.8353 39.3302 177.1821 92 M 3.9028 8.4010 118.0861 58.5079 31.8460 178.7710 93 L 4.1799 7.9990 118.9637 57.6363 41.6262 179.8124 94 L 3.9198 7.8115 118.8887 57.7078 41.6618 179.0817 95 L 4.0579 7.5192 118.8079 58.1243 41.4135 179.4585 96 S 3.9842 8.2459 111.5548 61.9344 62.3880 176.1838 97 T 4.0872 7.9085 118.0437 66.4722 68.2882 176.9267 98 L 4.0698 8.6322 121.4323 57.9978 41.4368 178.9510 99 Y 3.5538 7.9059 119.7035 60.3856 38.4715 177.8594 100 S 4.1729 7.5471 112.2740 59.8960 63.3473 175.6437 101 L 4.4300 7.3693 122.4711 56.6228 42.1042 176.0149 102 D 4.1360 7.6277 113.8430 52.1633 43.0226 175.6784 103 A 3.4213 8.6268 128.6738 55.1423 18.6664 178.3724 104 Q 4.0981 8.0165 116.9455 59.3135 29.3215 177.9856 105 A 3.9856 8.2116 121.3181 55.2956 18.3050 179.1862 106 F 3.9128 8.4025 118.8164 61.0923 39.3482 177.3815 107 A 4.2493 8.0110 121.9083 54.8508 17.8684 179.5555 108 E 3.9567 8.1914 116.3776 59.3904 29.3360 179.2346 109 A 3.6527 7.6197 119.7905 54.6749 18.5469 179.7413 110 T 3.4604 7.1194 114.8315 66.7007 68.3592 176.7576 111 E 4.0154 7.8611 119.1939 59.6389 29.5870 178.4407 112 S 4.3589 7.5734 109.7924 58.2093 62.8815 173.6906 113 L 4.4934 7.9095 123.9797 54.1841 42.1560 174.6490 114 H 4.0526 8.1076 120.1284 54.6092 31.3917 172.0570 115 G 4.1785 6.9252 108.6501 43.9460 0.0000 172.8757 116 R 4.0114 8.7803 118.9100 59.2062 30.1584 178.4412 117 T 4.5007 7.7151 103.4768 60.9895 70.8622 173.7534 118 R 4.4229 7.6549 121.9543 54.6542 31.5511 175.3042 119 V 4.1671 8.1408 122.1430 62.5097 33.0372 174.9793 120 Y 4.7493 8.6709 124.6031 60.1384 39.2788 175.2178 121 F 6.0337 8.7466 115.4154 54.9161 41.7214 174.5971 122 A 5.0348 8.8425 122.9023 50.6154 22.6355 176.5163 123 A 4.4070 9.1196 120.5474 52.7155 19.1584 177.3816 124 D 4.5004 7.4560 113.5577 51.0095 42.8998 175.2701 125 E 3.1174 7.4323 121.0634 58.9714 30.0014 178.6728 126 Q 3.8601 7.8178 118.9673 59.5994 28.8865 178.3400 127 T 3.8351 8.7135 116.8665 66.8036 68.6453 176.4773 128 L 4.1486 7.7968 120.0241 57.1126 41.4833 178.7271 129 L 4.3089 7.6129 116.6343 55.6712 41.9608 178.2760 130 K 4.1353 7.5597 119.7725 59.1797 32.5285 177.9906 131 N 4.5939 8.1062 115.7118 55.5652 38.8596 174.9355 132 G 4.2740 7.3404 106.0885 43.9560 0.0000 171.3046 133 N 4.8339 8.3283 115.1351 53.4863 41.5522 173.5634 134 Q 3.6253 8.6389 120.0197 57.3730 26.2620 174.6716 135 T 4.1732 7.9627 107.4248 61.3362 70.1936 173.8022 136 K 3.9315 7.9534 120.8575 56.9834 29.3075 171.7668 137 P 4.8580 0.0000 0.0000 62.7396 32.9860 177.5129 138 K 4.7168 9.2154 122.2424 54.9647 36.0975 173.9614 139 H 4.1397 7.9315 120.4990 53.9695 31.2103 174.0255 140 V 3.6438 7.3967 118.7606 60.3906 31.6183 174.7453 141 P 4.1158 0.0000 0.0000 63.9992 31.6588 176.2483 142 G 3.9999 8.9301 108.3962 46.4142 0.0000 173.4793 143 T 4.1909 7.3961 113.7048 60.9452 72.4165 172.5426 144 P 4.4041 0.0000 0.0000 64.3903 32.1312 175.6469 145 Y 5.0089 7.4269 117.3483 57.2905 40.2476 174.2067 146 W 5.4107 9.7018 120.4446 55.0461 33.5639 175.0008 147 V 5.2857 9.0493 121.6800 58.6213 34.4577 174.7724 148 I 4.3727 8.2513 116.0371 61.3058 38.1278 175.4244 149 T 4.2686 7.9868 118.6136 64.0927 70.8658 175.2191 150 N 4.8608 8.1125 121.3195 53.0770 35.5517 174.1833 151 T 4.5227 7.3232 109.5894 58.4186 72.3258 174.7706 152 N 4.5187 8.4487 122.0760 53.0118 39.4309 176.3571 153 T 3.8668 8.2797 116.6664 66.5181 68.4175 177.0630 154 G 3.6851 8.0849 107.2190 48.0057 0.0000 175.4495 155 R 3.8523 8.5845 121.7441 58.9719 29.9716 178.6249 156 K 3.5225 7.7216 117.7869 59.4001 31.6992 179.1992 157 C 4.1826 8.0592 116.9923 63.0239 28.1369 175.9162 158 S 4.0760 8.3237 117.0642 62.2243 62.3984 176.9750 159 M 4.2327 8.3099 121.0640 58.5019 31.6951 178.9426 160 I 3.7699 7.7723 119.8173 64.1945 37.2004 177.6609 161 E 3.8916 9.1519 121.4114 60.0149 29.3769 178.0466 162 H 4.1748 8.7254 118.0643 59.7164 29.7940 176.8892 163 I 3.4993 7.8485 121.0610 64.8871 36.9129 178.4318 164 M 4.2586 8.4715 119.6397 58.3146 31.3507 178.5162 165 Q 4.0356 8.8639 120.3301 59.3227 28.9861 178.3441 166 S 4.2103 8.3800 113.5678 60.7289 62.3767 174.7574 167 M 4.3702 7.4896 119.8543 54.4783 32.5745 175.8526 168 Q 3.4894 7.5636 115.0204 57.0313 26.5629 173.8233 169 F 4.6168 7.8260 115.6506 55.2686 40.6296 175.3863 170 P 4.3260 0.0000 0.0000 63.1279 32.6204 176.9253 171 A 3.9880 8.6922 123.0312 55.6139 18.3546 179.6232 172 E 3.8692 8.2536 116.2896 59.7208 29.4964 179.2431 173 L 3.9262 7.9666 119.4262 58.2537 42.0286 178.6813 174 I 3.6011 7.5268 119.4531 64.6505 37.2051 178.1421 175 E 3.9622 8.1243 119.0747 59.2690 29.0281 179.6385 176 K 3.9234 7.8030 117.4369 59.4587 32.5062 179.0174 177 V 3.6966 7.8990 118.6257 66.5445 31.5784 177.9613 178 C 4.4007 8.4972 116.2608 62.3995 27.6578 176.2708 179 G 3.7416 7.8053 106.9277 47.3316 0.0000 175.2304 180 T 4.3242 7.6238 109.8503 63.0708 69.3714 174.9114 181 I 3.9558 7.2630 126.1797 61.7246 37.1028 175.5734 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 1 M 8.30 4.44 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 K 8.25 4.44 0.00 1.81 1.71 0.00 1.71 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.53 7.81 3 T 8.09 4.66 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 1.20 0.00 0.00 4 I 7.97 4.71 1.88 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 1.43 0.68 0.92 0.00 0.00 5 E 8.51 4.51 0.00 1.98 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 2.25 2.31 0.00 6 V 7.95 4.49 2.18 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 0.80 0.00 0.00 1.03 0.00 0.00 7 D 8.85 4.48 0.00 2.92 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 8 D 8.91 4.51 0.00 2.82 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 9 E 8.15 4.03 0.00 2.04 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 2.43 2.39 0.00 10 L 8.90 4.10 0.00 1.85 2.03 1.14 0.93 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 11 Y 8.22 4.22 0.00 3.04 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 12 S 8.08 4.04 0.00 4.09 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 13 Y 7.49 4.29 0.00 2.84 3.23 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 14 I 8.20 3.63 1.81 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 1.39 1.22 0.83 0.00 0.00 15 A 7.62 3.82 1.06 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 0.00 0.00 16 S 7.53 4.21 0.00 3.91 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 17 H 7.30 4.64 0.00 3.07 3.19 0.00 5.85 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 18 T 7.65 4.06 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 1.19 0.00 0.00 19 K 8.24 4.52 0.00 1.69 1.78 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.43 7.81 20 H 7.33 4.61 0.00 3.20 3.33 0.00 5.46 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.38 3.73 1.88 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.93 0.00 0.00 22 G 8.97 4.10 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 0.00 0.00 0.00 23 E 7.33 4.10 0.00 1.97 1.58 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 2.25 2.12 0.00 24 S 8.40 4.31 0.00 4.06 4.03 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 25 R 8.54 3.97 0.00 1.94 2.04 0.00 3.19 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 26 S 8.06 4.09 0.00 3.85 3.89 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 0.00 0.00 0.00 27 D 8.04 4.35 0.00 2.87 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 28 I 7.46 3.54 1.92 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 1.57 0.97 0.88 0.00 0.00 29 L 7.94 3.88 0.00 1.86 1.71 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.17 3.72 0.00 1.94 1.98 0.00 3.28 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 31 R 7.83 3.65 0.00 1.79 1.76 0.00 2.80 0.00 0.00 2.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.33 0.00 32 M 7.75 3.91 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 33 L 8.49 4.00 0.00 1.64 1.79 0.94 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.04 4.24 0.00 1.84 1.91 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 35 F 8.90 4.72 0.00 3.24 3.21 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 36 S 9.11 4.35 0.00 4.06 4.48 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 37 A 7.58 4.23 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 38 A 7.51 4.40 1.29 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 0.00 0.00 39 S 7.43 4.08 0.00 4.00 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 40 Q 7.25 4.13 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 *60 K 8.38 4.31 0.00 1.74 1.77 0.00 1.68 0.00 0.00 2.40 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 61 P 0.00 4.54 0.00 2.32 2.03 0.00 3.72 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 2.04 1.97 0.00 62 V 7.88 4.48 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 0.72 0.00 0.00 1.00 0.00 0.00 63 K 8.25 4.06 0.00 1.71 1.83 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 64 T 7.52 4.27 4.20 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 1.18 0.00 0.00 65 I 8.18 3.48 1.79 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 1.26 0.37 0.81 0.00 0.00 66 K 8.03 3.96 0.00 1.80 1.79 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 67 D 7.78 4.40 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 68 K 8.01 4.03 0.00 1.84 1.98 0.00 1.26 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.57 7.81 69 V 8.31 3.71 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 1.12 0.00 0.00 1.06 0.00 0.00 70 R 8.17 3.85 0.00 2.12 1.92 0.00 3.14 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 71 A 7.85 3.99 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 8.84 5.03 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 0.00 123 A 9.12 4.41 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 0.00 124 D 7.46 4.50 0.00 2.49 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 0.00 125 E 7.43 3.12 0.00 1.16 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 2.07 1.93 0.00 126 Q 7.82 3.86 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 127 T 8.71 3.84 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 1.22 0.00 0.00 128 L 7.80 4.15 0.00 1.83 1.77 1.16 1.04 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 0.00 129 L 7.61 4.31 0.00 1.71 1.69 0.93 0.86 0.00 0.00 0.00 0.00 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146 W 9.70 5.41 0.00 3.44 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 0.00 147 V 9.05 5.29 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 1.17 0.00 0.00 0.70 0.00 0.00 148 I 8.25 4.37 1.90 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.40 1.06 0.00 0.00 149 T 7.99 4.27 4.56 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 1.19 0.00 0.00 150 N 8.11 4.86 0.00 2.76 2.80 0.00 0.00 6.99 8.37 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 0.00 151 T 7.32 4.52 4.06 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 1.03 0.00 0.00 152 N 8.45 4.52 0.00 2.96 2.98 0.00 0.00 6.21 7.22 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 0.00 153 T 8.28 3.87 4.20 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 1.18 0.00 0.00 154 G 8.08 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 0.00 0.00 0.00 155 R 8.58 3.85 0.00 1.81 1.92 0.00 3.04 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 156 K 7.72 3.52 0.00 1.79 1.41 0.00 1.41 0.00 0.00 1.19 0.00 0.00 2.53 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.85 7.81 157 C 8.06 4.18 0.00 3.21 2.99 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 0.00 158 S 8.32 4.08 0.00 4.00 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 0.00 159 M 8.31 4.23 0.00 2.39 2.43 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.73 0.00 160 I 7.77 3.77 2.09 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.07 0.90 0.00 0.00 161 E 9.15 3.89 0.00 2.15 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 0.00 2.34 2.36 0.00 162 H 8.73 4.17 0.00 3.26 3.48 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.85 3.50 1.79 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.44 0.70 0.00 0.00 164 M 8.47 4.26 0.00 1.90 2.14 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.19 0.00 165 Q 8.86 4.04 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 166 S 8.38 4.21 0.00 3.70 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 0.00 167 M 7.49 4.37 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 168 Q 7.56 3.49 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 169 F 7.83 4.62 0.00 3.19 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 0.00 170 P 0.00 4.33 0.00 2.30 2.23 0.00 3.93 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 2.21 2.12 0.00 171 A 8.69 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 0.00 172 E 8.25 3.87 0.00 2.03 2.04 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 2.42 2.40 0.00 173 L 7.97 3.93 0.00 1.78 1.86 0.87 1.03 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 0.00 174 I 7.53 3.60 2.06 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 1.47 0.77 0.91 0.00 0.00 175 E 8.12 3.96 0.00 2.19 2.01 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 2.34 2.51 0.00 176 K 7.80 3.92 0.00 1.90 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.57 7.81 177 V 7.90 3.70 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 0.95 0.00 0.00 0.81 0.00 0.00 178 C 8.50 4.40 0.00 3.00 2.99 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 0.00 179 G 7.81 3.74 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 0.00 0.00 0.00 180 T 7.62 4.32 4.47 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 1.32 0.00 0.00 181 I 7.26 3.96 1.93 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 1.33 0.83 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.