NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 H 4.8492 8.4449 117.3752 54.4978 30.0974 172.1381 1 M 4.7891 7.6452 119.7182 53.6863 37.1767 177.8564 2 G 4.2673 8.6592 110.7449 47.1995 0.0000 176.5255 3 T 4.1386 9.1199 115.3463 63.3979 69.1258 175.2553 4 R 4.5271 8.1075 120.9040 55.7593 30.6257 175.6726 5 E 4.1840 7.8555 120.4266 56.6806 30.5882 176.0149 6 R 5.2325 8.3680 123.2427 54.9781 34.4952 174.2070 7 T 4.6479 8.5266 114.3418 60.7235 71.8874 171.8875 8 L 5.0077 8.4206 127.6397 53.5582 44.2479 175.0889 9 V 4.9153 8.7831 125.6080 61.0175 34.8639 173.9682 10 A 4.9520 8.9334 128.3234 50.1366 22.7551 174.8459 11 V 4.4019 8.6949 122.9398 61.4659 33.0452 176.0116 12 K 4.4051 8.9705 127.9537 55.5313 33.2190 176.3891 13 P 4.4363 0.0000 0.0000 65.2501 31.0651 178.6370 14 D 4.5595 8.1288 117.5771 56.5541 39.2596 178.9538 15 G 3.5599 8.0822 106.7159 47.3401 0.0000 175.7994 16 V 3.6029 7.7854 120.4766 66.0236 31.4035 178.3238 17 Q 4.0260 8.0042 116.4846 58.8601 28.6661 177.3498 18 R 4.1591 8.1459 114.3567 55.7690 30.6458 176.2983 19 R 3.7783 7.5240 116.1248 57.8669 27.7283 176.4675 20 L 4.7083 7.7930 113.5882 53.7908 43.0359 179.5091 21 V 3.6568 7.8714 120.5036 66.0364 31.4079 178.0937 22 G 3.6778 8.0501 104.8723 47.9960 0.0000 174.9136 23 D 4.4320 8.0997 121.2314 57.1510 40.7365 179.1427 24 V 3.7435 7.9731 118.5897 66.1518 31.5008 178.1469 25 I 4.1921 8.0142 119.5924 64.5946 36.9717 178.2165 26 Q 4.0917 8.4550 119.0680 59.3787 28.3420 179.5183 27 R 3.9414 7.4834 116.4209 59.1155 29.8447 178.8177 28 F 3.8544 7.8952 117.1916 60.0355 38.7622 177.6174 29 E 4.1491 8.5610 118.9749 59.4217 29.1627 179.5616 30 R 3.9226 8.2287 114.8392 58.4915 29.5769 177.8237 31 R 3.9761 7.1647 117.1168 56.3235 30.2089 176.6842 32 G 3.8361 7.8846 106.3231 45.9235 0.0000 173.8882 33 F 4.8309 7.2822 117.4362 57.6605 39.9188 174.4016 34 T 4.3862 8.7449 119.1584 61.5174 70.5507 173.7242 35 L 3.2485 8.2899 129.2162 54.9211 42.0211 176.2738 36 V 4.0472 8.1652 126.9268 63.1222 33.5433 175.3030 37 G 4.0772 7.0462 105.1311 45.8780 0.0000 171.9672 38 M 5.4080 8.4624 119.6510 54.5810 35.1709 173.7353 39 K 4.5762 8.9480 122.8032 56.3158 36.4598 173.6274 40 M 5.0880 8.5125 122.1967 54.2829 33.8996 174.7061 41 L 4.4675 8.8188 124.4338 55.1930 44.7181 174.1159 42 Q 4.7922 8.5276 118.9729 54.0543 29.1725 175.7843 43 A 3.9858 8.5487 127.8592 51.4444 19.3315 175.3135 44 P 4.4221 0.0000 0.0000 61.9187 32.3220 177.4437 45 E 3.9745 8.8891 121.9609 59.6582 28.9535 180.0066 46 S 4.0671 7.9127 113.9251 61.2823 63.0174 176.6804 47 V 3.3217 7.6788 121.7900 65.6255 31.1564 177.9895 48 L 4.0001 7.7290 118.0219 57.7833 40.9298 179.2480 49 A 4.2589 8.2588 122.3450 54.6435 18.3609 179.3518 50 E 3.9565 7.9729 117.6794 59.3480 29.4934 178.2106 51 H 4.0530 8.2553 117.8055 59.3583 30.2812 176.2053 52 Y 4.8389 8.1413 117.2597 57.8320 38.1077 177.3071 53 Q 4.2388 8.2185 121.7243 58.5738 28.4476 177.8140 54 D 5.0554 7.9741 115.9814 53.5232 40.0631 176.4770 55 L 4.7814 7.9877 116.2641 54.7926 44.2492 178.4586 56 R 2.0000 7.4924 116.3099 58.6773 29.1139 178.3656 57 R 3.8963 7.5959 116.2231 58.4290 30.1014 177.3777 58 K 3.7355 7.5810 117.1263 55.9339 32.3837 176.1122 59 P 4.3276 0.0000 0.0000 64.8469 31.8468 177.6835 60 F 4.6273 7.2408 113.6676 57.5846 38.3769 176.5284 61 Y 4.1034 7.1456 120.6480 60.8312 38.3425 176.4852 62 P 4.2826 0.0000 0.0000 65.4336 31.4500 178.5202 63 A 4.0209 7.9862 119.2579 54.8984 18.3421 179.1740 64 L 3.9398 8.5422 119.2299 58.4983 41.9427 179.3275 65 I 3.6329 7.2827 118.3532 64.3460 37.0879 178.4106 66 R 4.0497 7.7763 118.8548 59.2580 29.8573 178.4366 67 Y 4.1988 8.1680 119.3296 61.1477 38.6891 178.1142 68 M 3.7547 8.2377 118.2658 57.0775 31.9081 177.7865 69 S 4.6733 7.4692 113.5490 57.9781 63.3643 175.3967 70 S 4.1736 7.9131 116.5983 59.5627 63.2523 173.5221 71 G 3.9947 6.9418 109.2491 43.9085 0.0000 171.2395 72 P 4.6302 0.0000 0.0000 62.8988 32.5109 175.5521 73 V 4.6011 9.0149 121.0214 61.1290 35.4930 174.2438 74 V 4.6968 8.3837 125.4648 61.1929 33.6801 174.0686 75 A 4.9888 8.9073 130.4723 50.8659 21.2608 175.4646 76 M 5.2215 8.9453 119.5546 53.7656 37.3625 174.1677 77 V 4.5643 8.0261 120.7574 60.8622 34.5455 174.3412 78 W 4.9892 8.6529 127.1681 54.7548 32.4990 174.2458 79 E 5.0747 10.0612 123.5829 53.4493 32.5807 175.1954 80 G 4.7087 8.0950 114.5079 45.8864 0.0000 170.9652 81 Y 4.7139 8.5298 121.8724 58.8523 39.3069 175.0364 82 N 4.1282 8.8838 123.0379 54.0895 36.6297 176.6459 83 V 3.2773 7.4510 121.3920 64.6617 31.1845 178.0780 84 V 3.4662 8.0101 119.0998 65.9041 31.4933 178.3122 85 R 3.9225 7.8785 115.2159 59.1302 29.3585 178.4061 86 A 4.0086 8.1735 121.5586 55.1520 18.2791 179.8434 87 S 4.2000 8.1562 113.7120 61.6930 62.4571 177.1527 88 R 3.9282 8.0009 120.5643 59.2010 29.5796 178.9705 89 A 3.8199 7.8700 119.6647 55.2661 18.6653 179.3455 90 M 4.1060 8.0440 117.5543 57.9972 31.9533 178.7994 91 I 4.0258 7.6541 113.8407 60.8992 38.0071 177.1744 92 G 4.1080 7.3153 104.2075 44.4620 0.0000 172.1313 93 H 4.0528 8.5063 117.7475 56.5998 30.2165 174.7386 94 T 3.9093 8.6000 123.0740 66.8436 68.4684 173.9088 95 D 4.5959 8.3320 123.4610 53.0851 40.5282 176.2160 96 S 4.0992 8.5666 124.6370 61.5611 63.1152 177.3913 97 A 4.0172 7.8159 122.2147 54.5362 18.1243 177.8769 98 E 4.3203 7.9414 113.0685 56.4571 30.3601 176.4183 99 A 4.2952 7.4875 121.1409 51.6101 19.3022 177.4396 100 A 4.1988 8.4994 122.3734 50.9621 19.8957 175.4737 101 P 4.2976 0.0000 0.0000 64.1696 31.5298 175.6317 102 G 4.0281 9.4004 111.9821 46.1656 0.0000 175.0686 103 T 4.3163 7.6851 109.8892 60.7824 71.1923 175.9486 104 I 3.8545 8.6707 122.9637 64.8099 37.1478 179.2083 105 R 4.1987 8.2835 119.0886 59.1135 29.6732 179.3367 106 G 3.6432 8.1525 104.7076 47.1709 0.0000 174.5714 107 D 4.4826 7.6034 119.1528 54.5249 41.6318 177.1096 108 F 4.9871 7.8588 114.9814 57.0163 41.1899 174.8279 109 S 4.8879 8.1738 113.7022 56.5164 65.3439 173.5792 110 V 4.3759 8.2424 119.2961 61.2587 32.5764 174.4142 111 H 4.8676 8.1112 118.0219 54.7074 31.2964 174.8708 112 I 4.1063 8.1266 119.6854 63.5603 37.9033 177.9934 113 S 4.1998 7.8139 113.1132 60.5709 63.7463 175.2005 114 R 4.4595 7.5385 121.7781 54.6913 28.3903 175.7340 115 N 4.9441 7.7264 114.7577 52.3918 38.8138 178.7097 116 V 3.4585 8.9411 126.0267 65.1984 32.3240 171.3710 117 I 5.1946 8.3560 116.5648 59.8649 41.4406 173.5497 118 H 5.1663 9.3162 125.3892 54.4597 33.2499 172.1336 119 A 5.0067 7.9331 124.3696 50.1081 22.5140 176.0860 120 S 4.3450 8.5485 117.7671 59.4340 63.7767 175.2110 121 D 4.7245 8.8133 122.1291 53.8211 40.2097 176.5260 122 S 4.5735 7.4133 113.7473 56.2506 66.6376 175.4877 123 V 3.5485 8.2925 122.4084 66.3865 31.2047 178.0508 124 E 4.0345 8.2275 117.6291 59.5849 29.4327 179.5018 125 G 3.6787 8.2947 105.3838 47.6903 0.0000 175.5625 126 A 4.4505 8.1729 124.6277 54.6306 18.3444 179.6958 127 Q 3.9425 8.1000 116.6283 59.0344 28.9224 179.0985 128 R 3.8906 8.0147 119.5838 59.6164 30.2010 178.4503 129 E 4.2170 8.7182 118.7785 59.5509 29.4438 179.4190 130 I 3.9831 8.2668 120.2491 64.6757 36.9488 178.5683 131 Q 4.1025 7.8737 117.5866 58.7138 28.5580 178.2189 132 L 4.0436 7.7427 120.5401 57.6797 42.2575 178.4231 133 W 4.2437 8.4555 117.1039 56.6295 29.8134 176.5247 134 F 5.1138 7.9658 116.2761 55.5682 41.9229 174.6263 135 Q 4.5722 10.1420 123.7970 54.6815 30.0819 177.2915 136 S 4.1844 8.7794 117.0349 61.8828 62.9953 176.9604 137 S 4.3083 8.0375 112.8840 60.2579 62.9644 174.5406 138 E 4.3630 8.2303 119.5321 56.9174 29.8489 175.8226 139 L 4.5953 7.4829 119.6173 53.4333 43.0363 176.5492 140 V 4.4904 8.4666 117.5307 59.5219 33.6778 175.3797 141 S 4.5554 8.7331 121.1702 57.1519 64.3428 174.4906 142 W 4.5771 8.7276 122.6209 57.0266 29.0105 176.1258 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 H 8.44 4.85 0.00 2.95 3.01 0.00 7.11 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 1 M 7.65 4.79 0.00 2.13 1.99 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.61 0.00 2 G 8.66 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 0.00 0.00 0.00 0.00 3 T 9.12 4.14 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 1.02 0.00 0.00 4 R 8.11 4.53 0.00 1.78 1.95 0.00 3.33 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 5 E 7.86 4.18 0.00 2.17 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 2.27 2.29 0.00 6 R 8.37 5.23 0.00 1.62 1.68 0.00 3.47 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.51 0.00 7 T 8.53 4.65 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 1.12 0.00 0.00 8 L 8.42 5.01 0.00 1.83 1.51 0.99 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 9 V 8.78 4.92 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 0.77 0.00 0.00 0.63 0.00 0.00 10 A 8.93 4.95 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.69 4.40 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 0.99 0.00 0.00 0.96 0.00 0.00 12 K 8.97 4.41 0.00 2.03 1.81 0.00 1.87 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.52 1.48 7.81 13 P 0.00 4.44 0.00 1.91 1.99 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.85 0.00 14 D 8.13 4.56 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 15 G 8.08 3.56 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 0.00 0.00 0.00 0.00 16 V 7.79 3.60 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 1.02 0.00 0.00 1.00 0.00 0.00 17 Q 8.00 4.03 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.81 0.00 0.00 0.00 0.00 0.00 2.40 2.45 0.00 18 R 8.15 4.16 0.00 1.87 1.97 0.00 3.36 0.00 0.00 3.26 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 19 R 7.52 3.78 0.00 1.97 1.97 0.00 3.13 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 20 L 7.79 4.71 0.00 1.56 1.12 0.68 0.38 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 21 V 7.87 3.66 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 1.08 0.00 0.00 0.93 0.00 0.00 22 G 8.05 3.68 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 0.00 0.00 0.00 23 D 8.10 4.43 0.00 2.68 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 24 V 7.97 3.74 2.28 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 1.30 0.00 0.00 0.93 0.00 0.00 25 I 8.01 4.19 2.04 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.84 1.33 0.00 0.00 26 Q 8.45 4.09 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.45 2.65 0.00 27 R 7.48 3.94 0.00 1.79 1.70 0.00 3.19 0.00 0.00 3.16 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.85 0.00 28 F 7.90 3.85 0.00 2.17 1.45 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 0.00 29 E 8.56 4.15 0.00 2.23 2.13 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 2.77 2.91 0.00 30 R 8.23 3.92 0.00 1.87 2.11 0.00 3.01 0.00 0.00 3.11 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.52 0.00 31 R 7.16 3.98 0.00 1.60 1.18 0.00 3.04 0.00 0.00 3.05 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.33 0.00 32 G 7.88 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 0.00 0.00 0.00 33 F 7.28 4.83 0.00 3.20 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 34 T 8.74 4.39 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 -0.51 0.00 0.00 35 L 8.29 3.25 0.00 0.93 1.45 -0.20 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 36 V 8.17 4.05 1.77 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 0.67 0.00 0.00 0.64 0.00 0.00 37 G 7.05 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 0.00 0.00 0.00 38 M 8.46 5.41 0.00 1.94 1.74 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 39 K 8.95 4.58 0.00 1.85 1.91 0.00 1.25 0.00 0.00 1.63 0.00 0.00 2.13 0.00 0.00 2.34 0.00 0.00 0.00 0.00 1.23 1.27 7.81 40 M 8.51 5.09 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.52 0.00 41 L 8.82 4.47 0.00 1.71 1.70 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 42 Q 8.53 4.79 0.00 1.94 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 43 A 8.55 3.99 1.26 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 44 P 0.00 4.42 0.00 2.05 1.89 0.00 3.36 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 45 E 8.89 3.97 0.00 1.97 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 2.37 2.36 0.00 46 S 7.91 4.07 0.00 3.98 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 47 V 7.68 3.32 1.68 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 -0.09 0.00 0.00 0.59 0.00 0.00 48 L 7.73 4.00 0.00 1.87 1.82 0.96 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.26 4.26 1.48 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 0.00 0.00 50 E 7.97 3.96 0.00 2.01 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 2.28 2.31 0.00 51 H 8.26 4.05 0.00 3.21 3.37 0.00 5.99 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Y 8.14 4.84 0.00 3.35 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 53 Q 8.22 4.24 0.00 2.29 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.10 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 54 D 7.97 5.06 0.00 2.83 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 0.00 55 L 7.99 4.78 0.00 2.10 1.76 1.25 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 56 R 7.49 2.00 0.00 1.26 1.55 0.00 2.92 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.38 0.00 57 R 7.60 3.90 0.00 1.71 1.93 0.00 3.17 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.52 0.00 58 K 7.58 3.74 0.00 1.02 0.74 0.00 1.58 0.00 0.00 1.57 0.00 0.00 2.92 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.26 7.81 59 P 0.00 4.33 0.00 2.20 2.16 0.00 3.53 0.00 0.00 3.61 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 60 F 7.24 4.63 0.00 3.28 3.37 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 61 Y 7.15 4.10 0.00 3.13 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 62 P 0.00 4.28 0.00 2.24 2.13 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 63 A 7.99 4.02 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.54 3.94 0.00 1.86 1.78 0.83 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 65 I 7.28 3.63 1.68 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.24 0.82 0.00 0.00 66 R 7.78 4.05 0.00 1.96 2.01 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 67 Y 8.17 4.20 0.00 3.05 3.19 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 68 M 8.24 3.75 0.00 2.05 2.20 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.82 0.00 69 S 7.47 4.67 0.00 3.96 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 70 S 7.91 4.17 0.00 4.01 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 0.00 71 G 6.94 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 72 P 0.00 4.63 0.00 2.12 2.19 0.00 3.62 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 2.06 1.96 0.00 73 V 9.01 4.60 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 0.90 0.00 0.00 0.95 0.00 0.00 74 V 8.38 4.70 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 0.95 0.00 0.00 0.93 0.00 0.00 75 A 8.91 4.99 0.99 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 76 M 8.95 5.22 0.00 1.49 1.83 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 77 V 8.03 4.56 1.54 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 0.87 0.00 0.00 0.16 0.00 0.00 78 W 8.65 4.99 0.00 3.04 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 0.00 79 E 10.06 5.07 0.00 1.87 1.59 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 2.15 2.32 0.00 80 G 8.10 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 Y 8.53 4.71 0.00 2.86 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 82 N 8.88 4.13 0.00 2.75 2.70 0.00 0.00 6.89 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 83 V 7.45 3.28 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 0.75 0.00 0.00 -0.11 0.00 0.00 84 V 8.01 3.47 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 1.01 0.00 0.00 0.89 0.00 0.00 85 R 7.88 3.92 0.00 2.04 2.14 0.00 2.97 0.00 0.00 3.29 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.64 0.00 86 A 8.17 4.01 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.16 4.20 0.00 3.96 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 88 R 8.00 3.93 0.00 2.03 1.97 0.00 3.28 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 89 A 7.87 3.82 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 90 M 8.04 4.11 0.00 1.86 2.09 0.00 0.00 0.00 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.36 0.00 91 I 7.65 4.03 1.93 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 1.68 0.78 1.07 0.00 0.00 92 G 7.32 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 93 H 8.51 4.05 0.00 3.14 3.22 0.00 5.77 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 94 T 8.60 3.91 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 95 D 8.33 4.60 0.00 2.72 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 96 S 8.57 4.10 0.00 4.08 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 0.00 97 A 7.82 4.02 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.94 4.32 0.00 1.91 1.82 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 2.20 2.16 0.00 99 A 7.49 4.30 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 0.00 100 A 8.50 4.20 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 0.00 101 P 0.00 4.30 0.00 1.90 1.94 0.00 3.61 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.05 0.00 102 G 9.40 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 0.00 0.00 0.00 103 T 7.69 4.32 4.44 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 1.26 0.00 0.00 104 I 8.67 3.85 1.97 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 1.65 1.09 1.13 0.00 0.00 105 R 8.28 4.20 0.00 1.98 2.03 0.00 3.45 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.81 0.00 106 G 8.15 3.64 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 0.00 107 D 7.60 4.48 0.00 1.77 1.93 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 0.00 108 F 7.86 4.99 0.00 3.14 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 0.00 109 S 8.17 4.89 0.00 3.89 3.76 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 0.00 0.00 0.00 0.00 110 V 8.24 4.38 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 0.63 0.00 0.00 0.88 0.00 0.00 111 H 8.11 4.87 0.00 3.42 3.19 0.00 5.60 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.13 4.11 1.78 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 1.45 0.51 0.81 0.00 0.00 113 S 7.81 4.20 0.00 3.82 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 0.00 114 R 7.54 4.46 0.00 1.68 2.02 0.00 2.99 0.00 0.00 3.00 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.03 0.00 115 N 7.73 4.94 0.00 2.98 3.26 0.00 0.00 5.74 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 0.00 116 V 8.94 3.46 2.17 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 0.95 0.00 0.00 1.05 0.00 0.00 117 I 8.36 5.19 1.95 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 1.14 1.00 0.00 0.00 118 H 9.32 5.17 0.00 3.34 3.06 0.00 5.81 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 0.00 119 A 7.93 5.01 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 0.00 120 S 8.55 4.34 0.00 3.81 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 0.00 121 D 8.81 4.72 0.00 2.79 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 0.00 122 S 7.41 4.57 0.00 4.02 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 0.00 123 V 8.29 3.55 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 1.06 0.00 0.00 0.92 0.00 0.00 124 E 8.23 4.03 0.00 2.10 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 2.41 2.45 0.00 125 G 8.29 3.68 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 0.00 0.00 0.00 126 A 8.17 4.45 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 0.00 127 Q 8.10 3.94 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 128 R 8.01 3.89 0.00 1.91 2.12 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.69 0.00 129 E 8.72 4.22 0.00 2.11 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 2.40 2.58 0.00 130 I 8.27 3.98 1.97 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 1.52 0.76 0.92 0.00 0.00 131 Q 7.87 4.10 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.97 0.00 0.00 0.00 0.00 0.00 2.43 2.65 0.00 132 L 7.74 4.04 0.00 1.74 2.01 0.72 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 133 W 8.46 4.24 0.00 3.31 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 0.00 134 F 7.97 5.11 0.00 3.23 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 0.00 135 Q 10.14 4.57 0.00 2.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.33 0.00 136 S 8.78 4.18 0.00 3.90 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 0.00 137 S 8.04 4.31 0.00 4.00 4.01 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 0.00 138 E 8.23 4.36 0.00 2.27 2.23 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 2.38 2.37 0.00 139 L 7.48 4.60 0.00 1.45 1.48 0.83 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 140 V 8.47 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 0.74 0.00 0.00 1.20 0.00 0.00 141 S 8.73 4.56 0.00 3.90 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 0.00 142 W 8.73 4.58 0.00 3.21 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 * Residues marked with a * may have inaccurate shift predictions.