NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 I 4.0189 8.0249 114.2622 59.5152 39.1270 175.1438 5 P 4.1145 0.0000 0.0000 62.6850 31.9302 176.6427 6 Q 4.0092 8.7909 120.8682 57.9935 28.8678 177.4079 7 D 4.7976 7.8774 114.3704 52.5779 40.2280 175.9420 8 F 4.4132 8.0026 123.8096 58.0170 39.9828 174.4594 9 R 4.2418 8.1640 127.1125 53.8227 31.9743 176.2702 10 L 3.4058 8.2313 125.5473 58.1250 42.1058 178.8482 11 I 3.9708 7.3018 118.9032 64.4315 37.5826 178.0491 12 E 3.8833 7.9501 119.6429 59.1398 29.5424 177.9857 13 D 4.6195 7.8745 116.5409 54.8272 41.7231 176.0204 14 F 4.7604 7.4507 119.4244 59.5680 41.9247 176.3037 15 F 4.4774 8.8696 119.0770 60.8881 38.8942 178.3451 16 R 3.9104 8.1347 117.9254 58.6126 29.8785 177.8549 17 T 4.0281 7.2633 105.4692 62.3432 69.3051 174.4566 18 R 4.0603 7.4589 123.6903 55.1066 30.4228 175.4482 19 R 4.7329 8.0510 123.6312 53.8042 33.3678 175.8142 20 S 4.2787 8.5503 116.5892 58.9172 63.3069 174.0994 21 V 4.1248 8.2003 124.5436 61.1241 33.0501 175.3412 22 R 4.0285 8.0622 123.8405 55.3327 31.7446 175.4227 23 K 4.6058 7.0316 117.8374 54.4048 35.3317 175.1802 24 F 5.4299 8.8967 122.6583 55.6467 42.8116 174.5339 25 I 4.4524 8.5999 115.4650 59.6449 39.3148 175.6060 26 D 4.4985 8.7333 120.8618 55.6288 40.9737 177.2042 27 R 3.8761 8.0332 120.0776 55.7462 30.2823 174.1655 28 P 4.4081 0.0000 0.0000 62.5271 32.0226 176.0222 29 V 3.9386 8.2261 121.2195 62.2394 32.2890 175.6911 30 E 4.1055 8.8531 127.0008 56.2781 29.9566 177.1525 31 E 3.9050 9.1746 124.0256 59.7801 29.3057 179.3045 32 E 3.7822 8.0703 115.4681 59.1937 29.9713 178.8737 33 K 4.1458 7.9183 119.5349 58.9608 32.1435 179.8093 34 L 3.8518 7.2189 117.9263 55.5995 41.8670 178.3530 *36 A 4.2568 8.1449 121.4938 51.8055 20.7695 179.8286 37 I 3.6121 7.8128 116.4841 64.6508 37.0984 178.6822 38 L 3.6634 7.8019 119.6211 57.5450 41.3824 179.1629 39 E 3.9006 8.1121 118.6061 59.1588 29.3841 178.4622 40 A 4.1636 7.9140 119.8898 55.1746 18.8554 179.4860 41 G 3.1319 7.6165 103.6661 47.8021 0.0000 175.8147 42 R 4.2814 7.8733 120.4907 58.8005 30.2349 177.7419 43 I 4.1951 7.6287 109.6176 60.3181 38.4719 176.0029 44 A 3.2646 6.9513 123.9503 51.3861 18.6904 175.7849 45 P 4.6626 0.0000 0.0000 62.8261 32.5127 175.5127 46 S 4.7233 8.0745 111.7067 56.6178 65.8077 173.4164 47 A 3.7498 9.1138 124.8595 54.0094 18.2443 177.8609 48 H 3.2852 8.6882 118.0866 55.5377 26.2331 174.0590 49 N 4.0987 7.9481 115.3749 54.7304 37.6469 175.0182 50 Y 4.3544 7.6692 114.7830 58.5613 38.7586 175.8709 51 Q 2.0000 7.4606 118.6718 55.7603 26.8506 171.8523 52 P 4.6314 0.0000 0.0000 63.1088 31.8006 177.0775 53 W 5.9359 7.0792 114.8252 55.2379 31.9959 174.5013 54 H 4.5145 8.3653 118.8792 54.7665 33.0818 171.7016 55 F 5.2681 8.1099 124.1372 55.9721 40.5894 175.0332 56 L 4.4821 8.9179 128.0711 53.3972 43.1297 175.2113 57 V 4.3689 8.2638 127.1351 62.1545 32.7406 175.2473 58 V 4.5211 9.1458 128.1116 61.3535 33.3267 175.7463 59 R 4.5294 8.6457 121.9241 54.8587 31.5317 176.0475 60 E 4.2723 8.0143 118.3654 55.7843 31.5433 177.2413 61 E 3.9734 8.6863 121.0073 59.5748 29.5854 179.3547 62 E 4.0188 8.2449 118.9616 59.2916 29.8117 179.0350 63 G 3.7148 8.0707 105.2276 47.8912 0.0000 175.7031 64 R 4.0226 8.3090 120.8211 59.0299 29.8906 179.3517 65 K 4.0477 8.1449 117.3329 59.5120 32.0914 179.3108 66 R 4.0090 7.9456 117.5678 59.1606 30.1938 178.5832 67 L 4.2401 8.2840 119.9537 57.7027 42.0257 178.4681 68 A 4.1464 7.8366 120.6004 55.0186 18.0939 177.5979 69 P 4.3813 0.0000 0.0000 64.7149 31.6403 177.8768 70 C 4.2942 8.3536 116.0679 60.3913 28.1891 172.9293 71 S 4.7070 7.1392 114.4714 56.4271 64.2872 173.4392 72 Q 4.4546 8.3791 123.2205 55.6395 29.4630 175.4286 73 Q 4.3484 7.9554 119.6718 54.4050 29.2101 175.0572 74 P 4.3520 0.0000 0.0000 65.4319 31.8026 178.4352 75 W 4.4576 8.3561 115.4978 59.1702 27.9272 177.8969 76 F 2.7351 7.2708 122.0760 60.2009 38.4845 174.7875 77 P 4.8366 0.0000 0.0000 63.4084 31.3058 177.2741 78 G 3.9822 8.1667 104.7675 44.4851 0.0000 173.7157 79 A 3.4130 6.9898 125.2295 50.7011 19.0528 175.9741 80 P 4.2748 0.0000 0.0000 64.7731 32.1916 177.1223 81 I 4.5863 7.1980 118.9326 59.3986 41.2476 174.3311 82 Y 4.9696 8.8164 123.3760 56.1942 41.3836 174.7019 83 I 4.5674 8.6915 125.2658 59.6536 39.4371 174.9749 84 I 4.3209 8.7409 130.3225 60.7330 38.3530 175.5432 85 T 4.9021 8.9577 125.8627 62.4750 69.9147 174.0394 86 L 5.0208 9.1164 127.9711 53.3813 43.7977 175.8991 87 G 4.4303 9.1091 111.0904 44.5289 0.0000 172.4507 88 D 4.8197 9.1190 125.3551 52.7752 41.6533 176.7447 89 H 4.3918 9.0239 125.1020 58.8793 28.9154 177.5348 90 Q 4.1272 8.2121 117.2993 57.7669 28.6280 176.9763 91 R 4.2284 7.7270 114.8593 56.0437 31.6832 176.2637 92 A 4.4537 7.7638 119.7143 50.7877 19.5261 177.1744 93 W 4.5977 9.3370 131.2984 58.3821 31.8454 174.8070 94 K 4.6250 7.9860 125.3774 55.1855 33.2272 176.2513 95 R 4.0228 7.9078 123.4088 55.4089 34.0738 174.3291 96 G 3.6256 8.1757 113.1362 47.3360 0.0000 173.9447 97 A 4.5728 8.7591 127.6787 51.3892 19.8013 177.2829 98 G 4.2650 7.9958 108.8190 45.3803 0.0000 171.2567 99 D 4.9191 8.2803 120.3657 51.6730 42.4289 175.3898 100 S 4.7456 8.9102 112.2070 58.6341 63.0525 175.9464 101 V 3.6121 8.1649 124.0621 66.9560 31.0653 177.8751 102 D 4.4982 8.1609 117.8463 57.4273 40.8390 178.4903 103 I 3.8747 7.8701 119.7786 64.7399 37.2852 178.0872 104 D 4.6434 8.9505 120.0798 57.7480 40.5365 179.0446 105 T 4.2315 8.2045 109.3314 65.1367 68.7707 176.4630 106 S 4.6810 8.0133 117.3371 61.2915 63.0474 176.4389 107 I 4.0782 8.0219 122.4204 64.1856 36.6337 179.2894 108 A 3.7378 7.3396 117.5100 52.7451 18.0143 178.4845 *110 T 4.6374 7.8043 118.3064 65.6715 70.8819 174.7864 111 Y 4.2821 8.1124 120.2385 58.4312 35.9782 176.6375 *114 L 4.3809 7.7416 122.5456 54.7486 44.5392 179.3793 115 E 3.9272 8.6888 118.9086 59.1798 29.5209 178.5544 116 A 3.9468 8.0072 120.3071 55.5479 18.4243 178.8217 117 H 4.2729 8.2803 116.3253 59.5572 29.7669 177.4516 118 S 4.4646 8.5005 114.8216 60.6658 62.7467 175.3679 119 L 4.6132 7.3114 121.0539 53.8587 41.6406 176.7826 120 G 3.9251 7.7373 106.1112 46.2584 0.0000 173.9875 121 L 4.3809 7.7129 118.7898 53.1505 43.6037 176.2702 122 G 4.4037 8.9362 108.6223 45.2760 0.0000 172.3505 123 C 5.4833 8.2330 114.9783 57.4696 33.5644 172.5628 124 T 4.9738 9.1042 115.7792 61.4030 72.2106 173.3427 125 W 4.7883 9.1931 135.0000 57.3763 31.7680 175.1499 126 V 4.9005 9.5172 127.4911 61.7646 33.1961 175.4420 127 C 5.0884 9.4227 123.4193 59.6487 30.2470 174.7311 128 A 4.4178 8.0846 123.4438 50.3668 16.6914 176.0275 129 F 4.8620 7.3158 114.3444 54.2061 41.0737 175.8390 130 D 4.4860 8.9775 121.9717 53.5459 40.5766 176.9164 131 Q 4.0897 8.2340 126.6253 58.8296 28.9054 178.3172 132 A 4.0194 7.9911 121.3394 54.8914 18.3803 179.3192 133 L 3.8766 8.4345 118.9719 58.3727 42.2338 178.4329 134 C 4.1873 8.3107 118.7246 63.0417 31.3856 175.8706 135 S 4.2401 8.5458 116.7675 61.5525 61.9799 176.3818 136 E 3.9160 8.4272 122.0215 59.3934 29.2069 178.9947 137 I 3.6012 7.9817 118.9794 63.7282 37.1336 177.5830 138 F 4.6040 8.0002 115.5222 56.0018 39.6359 175.4867 139 D 4.3992 7.7028 116.2727 55.2795 38.8420 174.3414 140 I 4.0526 7.9503 119.1366 60.0015 37.1683 175.1234 141 P 4.3918 0.0000 0.0000 62.6171 31.8928 177.3383 142 S 4.3982 8.8134 117.5527 62.1756 63.3823 175.6665 143 H 4.5126 7.5025 117.1565 55.3744 27.8939 175.3974 *145 T 4.2596 7.6358 115.6079 63.4918 69.8093 172.0888 146 P 4.9131 0.0000 0.0000 62.8676 31.3830 176.0978 147 V 4.0555 8.7659 124.2960 65.0105 32.1369 176.1666 148 S 5.3708 7.8617 113.2755 57.2939 67.8026 173.0585 149 I 4.8888 9.0686 122.9102 59.4842 40.6782 174.3195 150 L 4.6885 8.9720 129.7040 53.8240 43.2922 174.8846 151 A 4.9201 9.0020 129.9241 50.5873 20.6919 175.7799 152 L 5.0062 8.3659 122.3866 54.1373 44.8543 176.0494 153 G 4.0209 7.7673 104.9011 46.6477 0.0000 170.6303 154 Y 4.6865 8.0019 117.9255 57.3972 38.7893 176.2294 155 G 3.8705 8.8802 111.9596 45.9495 0.0000 172.7258 156 D 4.6255 8.8302 122.7523 52.7516 40.9136 175.4748 157 P 4.4406 0.0000 0.0000 64.7120 31.5472 176.9603 158 T 4.1859 8.1575 108.5818 61.6806 69.2165 174.4675 159 V 4.1451 7.3838 123.0744 60.5778 32.3575 173.6384 160 P 4.5541 0.0000 0.0000 60.9623 32.2063 174.3350 161 P 4.3431 0.0000 0.0000 62.5756 31.7343 177.0145 162 R 3.9736 8.4667 121.3658 59.0695 30.1365 176.0822 163 E 4.6575 7.5847 112.2140 54.1648 32.6549 174.2524 164 A 4.0967 8.3194 122.2295 51.7113 18.9404 177.3897 165 F 4.1433 8.7573 123.9251 58.6729 39.8394 174.3911 166 N 4.8145 7.5260 123.5759 51.5714 39.9895 173.7593 167 R 4.4709 7.8422 118.5875 54.1132 34.3695 175.0484 168 K 4.0804 8.3281 119.4916 56.5383 32.7375 177.2531 169 T 4.1614 8.1156 110.6536 61.2811 69.6355 175.4195 170 I 3.7146 8.3153 122.1903 64.3355 37.7325 178.0303 171 E 4.0305 8.1191 118.4268 59.2484 29.3788 178.3919 172 E 4.0904 7.9318 118.5500 58.5442 29.8524 178.2483 173 V 4.1250 7.4230 109.5015 60.1472 32.5940 175.8383 174 V 4.2846 7.1212 118.9489 60.7765 33.6500 174.7174 175 S 4.7386 8.2552 121.8311 56.6054 65.8919 173.2349 176 F 4.5420 8.6826 122.1621 56.8351 40.3831 175.2262 177 E 4.4074 9.7279 129.6665 56.4532 28.2112 174.9729 178 K 4.6773 7.4284 114.0531 54.8699 35.6860 175.8629 179 L 4.1548 8.4733 119.5896 55.2685 41.5553 177.0175 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 4 I 8.02 4.02 1.76 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 1.44 1.19 0.83 0.00 0.00 5 P 0.00 4.11 0.00 2.32 2.02 0.00 3.34 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 1.93 2.02 0.00 6 Q 8.79 4.01 0.00 2.07 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.88 0.00 0.00 0.00 0.00 0.00 2.28 1.93 0.00 7 D 7.88 4.80 0.00 2.78 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 8 F 8.00 4.41 0.00 2.99 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 9 R 8.16 4.24 0.00 1.62 1.75 0.00 3.11 0.00 0.00 3.17 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 10 L 8.23 3.41 0.00 1.56 1.46 0.74 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 11 I 7.30 3.97 1.88 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 1.66 0.68 0.95 0.00 0.00 12 E 7.95 3.88 0.00 1.83 1.94 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 2.26 2.34 0.00 13 D 7.87 4.62 0.00 2.33 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 F 7.45 4.76 0.00 3.11 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 15 F 8.87 4.48 0.00 3.22 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 16 R 8.13 3.91 0.00 1.76 1.78 0.00 3.10 0.00 0.00 3.09 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.59 0.00 17 T 7.26 4.03 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 1.24 0.00 0.00 18 R 7.46 4.06 0.00 1.05 1.77 0.00 3.17 0.00 0.00 3.13 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.29 0.00 19 R 8.05 4.73 0.00 1.75 1.75 0.00 3.49 0.00 0.00 3.29 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.54 0.00 20 S 8.55 4.28 0.00 3.76 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 21 V 8.20 4.12 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 0.26 0.00 0.00 0.89 0.00 0.00 22 R 8.06 4.03 0.00 1.32 1.19 0.00 2.63 0.00 0.00 2.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.85 0.00 23 K 7.03 4.61 0.00 1.44 1.59 0.00 1.65 0.00 0.00 1.87 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.32 7.81 24 F 8.90 5.43 0.00 2.93 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 25 I 8.60 4.45 1.91 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 1.57 0.70 1.00 0.00 0.00 26 D 8.73 4.50 0.00 2.71 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 27 R 8.03 3.88 0.00 1.65 1.82 0.00 2.83 0.00 0.00 2.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.48 0.00 28 P 0.00 4.41 0.00 2.25 2.06 0.00 3.81 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 2.00 1.96 0.00 29 V 8.23 3.94 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 0.69 0.00 0.00 0.78 0.00 0.00 30 E 8.85 4.11 0.00 2.15 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 0.00 2.44 2.41 0.00 31 E 9.17 3.91 0.00 2.07 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 2.38 2.45 0.00 32 E 8.07 3.78 0.00 2.15 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 2.28 2.34 0.00 33 K 7.92 4.15 0.00 1.97 1.82 0.00 1.92 0.00 0.00 1.54 0.00 0.00 2.93 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.45 1.45 7.81 34 L 7.22 3.85 0.00 1.64 1.74 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 *36 A 8.14 4.26 1.41 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 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.81 3.61 1.90 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 1.51 1.09 0.74 0.00 0.00 38 L 7.80 3.66 0.00 1.63 1.65 0.88 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.11 3.90 0.00 2.06 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 0.00 2.38 2.46 0.00 40 A 7.91 4.16 1.38 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 0.00 0.00 0.00 41 G 7.62 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 0.00 0.00 0.00 42 R 7.87 4.28 0.00 2.06 2.24 0.00 3.35 0.00 0.00 3.37 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.85 0.00 43 I 7.63 4.20 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.92 1.02 0.00 0.00 44 A 6.95 3.26 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.66 0.00 2.22 2.09 0.00 3.25 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 46 S 8.07 4.72 0.00 4.08 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 47 A 9.11 3.75 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 0.00 0.00 0.00 0.00 0.00 48 H 8.69 3.29 0.00 1.75 1.90 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 7.95 4.10 0.00 2.69 2.76 0.00 0.00 7.11 8.18 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 50 Y 7.67 4.35 0.00 2.93 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 51 Q 7.46 2.00 0.00 1.75 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 7.64 0.00 0.00 0.00 0.00 0.00 2.28 2.18 0.00 52 P 0.00 4.63 0.00 2.07 2.25 0.00 2.90 0.00 0.00 3.43 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 0.00 131 Q 8.23 4.09 0.00 2.03 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.11 1.88 0.00 132 A 7.99 4.02 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 0.00 133 L 8.43 3.88 0.00 1.98 1.88 0.91 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 134 C 8.31 4.19 0.00 3.37 3.38 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 0.00 135 S 8.55 4.24 0.00 4.09 3.95 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 0.00 136 E 8.43 3.92 0.00 2.16 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 0.00 2.29 2.37 0.00 137 I 7.98 3.60 1.67 0.00 0.00 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 1.37 0.68 0.05 0.00 0.00 138 F 8.00 4.60 0.00 3.20 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 0.00 139 D 7.70 4.40 0.00 2.83 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 0.00 140 I 7.95 4.05 1.93 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.61 0.93 0.00 0.00 141 P 0.00 4.39 0.00 1.91 1.96 0.00 3.57 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 142 S 8.81 4.40 0.00 3.88 3.96 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 0.00 0.00 0.00 143 H 7.50 4.51 0.00 3.51 3.51 0.00 5.29 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *145 T 7.64 4.26 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 1.27 0.00 0.00 146 P 0.00 4.91 0.00 2.56 2.23 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.13 0.00 147 V 8.77 4.06 2.24 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 0.97 0.00 0.00 1.06 0.00 0.00 148 S 7.86 5.37 0.00 3.76 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 0.00 149 I 9.07 4.89 1.90 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.29 1.00 0.00 0.00 150 L 8.97 4.69 0.00 1.50 1.41 0.88 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 151 A 9.00 4.92 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 0.00 152 L 8.37 5.01 0.00 1.69 1.62 0.73 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 153 G 7.77 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 0.00 0.00 0.00 154 Y 8.00 4.69 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 0.00 155 G 8.88 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 0.00 0.00 0.00 156 D 8.83 4.63 0.00 2.66 2.51 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 0.00 157 P 0.00 4.44 0.00 2.21 2.16 0.00 3.81 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 158 T 8.16 4.19 4.23 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 1.21 0.00 0.00 159 V 7.38 4.15 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 0.75 0.00 0.00 0.94 0.00 0.00 160 P 0.00 4.55 0.00 2.06 1.97 0.00 3.71 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 2.00 2.08 0.00 161 P 0.00 4.34 0.00 2.02 1.96 0.00 3.66 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 162 R 8.47 3.97 0.00 1.66 1.89 0.00 3.20 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.58 0.00 163 E 7.58 4.66 0.00 2.03 1.84 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 2.13 2.20 0.00 164 A 8.32 4.10 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 0.00 165 F 8.76 4.14 0.00 2.93 2.96 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 0.00 0.00 0.00 166 N 7.53 4.81 0.00 2.68 2.61 0.00 0.00 5.97 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 0.00 167 R 7.84 4.47 0.00 1.67 1.71 0.00 3.23 0.00 0.00 2.94 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.62 1.49 0.00 168 K 8.33 4.08 0.00 1.70 1.72 0.00 1.70 0.00 0.00 1.84 0.00 0.00 2.87 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.38 7.81 169 T 8.12 4.16 4.41 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 0.00 0.00 0.00 1.22 0.00 0.00 170 I 8.32 3.71 1.91 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 1.70 1.24 0.96 0.00 0.00 171 E 8.12 4.03 0.00 1.98 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 0.00 2.34 2.47 0.00 172 E 7.93 4.09 0.00 1.99 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 0.00 2.30 2.33 0.00 173 V 7.42 4.13 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 0.75 0.00 0.00 0.96 0.00 0.00 174 V 7.12 4.28 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 0.23 0.00 0.00 0.89 0.00 0.00 175 S 8.26 4.74 0.00 3.78 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 0.00 176 F 8.68 4.54 0.00 3.03 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.73 4.41 0.00 2.20 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 0.00 2.32 2.29 0.00 178 K 7.43 4.68 0.00 2.07 1.74 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.30 1.02 7.81 179 L 8.47 4.15 0.00 1.66 1.62 0.91 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.