NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2754 8.2649 123.5824 52.0032 19.8631 175.9605 2 D 4.5730 8.6654 123.4601 52.4846 41.9005 174.2000 3 L 4.7710 8.3049 124.4242 52.9486 44.9875 175.5798 4 T 4.6431 8.3124 112.0632 59.9421 71.2006 173.0725 5 A 4.7988 8.1209 124.4299 50.8717 22.4729 175.4436 6 S 4.8367 8.2841 112.5663 56.8286 66.2013 173.2990 7 F 4.4719 8.3437 122.0073 57.1283 42.1204 173.9803 8 T 4.3044 7.3024 123.3347 62.2849 68.3705 175.1825 9 V 4.2040 8.2489 120.6201 61.0062 32.6215 175.9497 10 T 4.7516 8.1963 111.5921 60.0962 71.8275 172.8886 11 A 4.6729 8.2342 123.6666 51.1643 22.2247 175.6749 12 T 4.5479 8.4051 116.6759 61.6878 70.4644 173.9764 13 L 4.6973 8.4489 126.4072 52.9542 43.5558 176.2251 14 V 4.3525 8.2030 115.9835 59.3821 34.3058 174.7953 15 E 4.4354 8.5201 124.6328 53.5799 29.9158 173.9813 16 P 4.3430 0.0000 0.0000 62.7156 31.9667 176.6528 17 A 4.3709 8.2174 123.0966 51.1825 17.2541 175.5683 18 R 4.6306 8.1094 119.7910 55.1237 32.5060 175.2892 19 I 5.0863 8.4049 124.2215 59.7700 40.2494 174.8543 20 T 4.7522 8.6931 116.7957 60.0527 72.4186 173.0565 21 L 5.0078 8.2350 122.7385 54.5615 45.1951 174.1285 22 T 4.6973 9.2763 123.8237 61.9616 71.4705 172.5568 23 Y 5.3105 8.7212 127.3876 55.9616 41.1361 173.9741 24 K 4.1945 8.7463 129.6885 54.3066 33.7806 175.0161 25 E 3.7764 8.4410 126.8716 57.3573 29.9891 177.9549 26 G 4.1171 8.7244 111.1501 43.7553 0.0000 173.0389 27 A 4.1883 8.5912 122.2972 51.4151 18.7284 175.8871 28 P 4.2680 0.0000 0.0000 63.2054 31.6923 175.7689 29 I 4.2138 8.0355 121.4080 60.0362 38.2718 175.4740 30 T 4.2933 8.1919 122.4426 62.6033 69.5338 174.3911 31 I 4.2588 7.8827 125.9720 60.3046 38.6440 175.8889 32 M 4.3020 8.8814 126.8448 55.2527 32.7058 177.7414 *33 D 4.4024 8.7786 119.5369 56.6801 39.7336 178.0686 34 N 4.6816 8.1122 114.1412 52.6059 37.4830 176.0293 35 G 3.8989 8.3934 107.3972 45.9291 0.0000 173.6333 36 N 4.8819 7.6882 116.2993 52.0699 39.8521 174.2384 37 I 4.5108 7.5792 113.1498 58.6378 40.1734 174.8671 38 D 4.4481 8.1847 120.3655 54.3883 41.7712 175.0290 39 T 4.4184 8.0402 116.8912 61.6786 69.0204 174.1767 40 E 3.9263 8.8543 125.3810 56.7056 27.7128 174.7183 41 L 4.0506 7.5872 119.7502 54.8115 42.6629 176.6239 42 L 4.6966 8.5043 125.3280 54.5421 41.7865 177.0366 43 V 3.7029 9.3711 128.6083 65.4919 32.7733 175.6430 44 G 4.8636 7.4242 104.7629 46.6113 0.0000 172.3727 45 T 5.2068 8.3997 116.9759 61.6410 71.7477 173.3416 46 L 5.2274 9.2034 127.5147 53.9595 43.8933 175.7846 47 T 4.8386 9.1012 120.9939 61.7512 71.0510 172.9355 48 L 4.9457 8.9608 130.2285 54.1978 43.9658 175.8427 49 G 3.8475 8.7184 112.5922 45.3019 0.0000 171.9861 50 G 4.1949 8.2549 106.8691 46.6364 0.0000 174.2120 51 Y 4.3041 7.1126 115.9564 56.4715 38.7835 175.7835 52 K 4.2107 8.5381 122.1826 56.0967 33.1178 176.4823 53 T 4.2459 8.3787 122.1883 64.8441 68.7745 173.9065 54 G 4.1162 9.4630 114.3609 46.0892 0.0000 174.4404 55 T 3.7419 7.9155 117.0348 64.5048 69.1066 173.3884 56 T 4.9747 7.6969 116.2422 59.4909 71.2270 175.8345 57 S 4.2236 8.9676 117.7845 61.3585 63.0990 175.9446 58 T 4.2699 7.7898 108.9788 62.1087 69.1036 175.2017 59 S 4.4090 7.8353 116.6719 58.7269 63.9624 173.2554 60 V 4.7454 7.4271 122.1727 61.2343 34.1201 173.6872 61 N 5.3443 8.7895 125.7937 52.1622 42.3432 172.7985 62 F 4.9638 9.4474 126.7058 56.5581 40.5342 175.1658 63 T 5.2422 9.0047 114.8661 60.0129 71.9871 172.6691 64 D 4.9867 8.7544 121.5354 51.9959 42.6756 175.3678 65 A 4.0193 8.6655 120.8700 55.1983 17.2864 178.6032 66 A 3.9608 8.1672 118.6568 54.0908 18.3594 178.9990 67 G 3.8287 8.3899 101.3493 46.2977 0.0000 172.9794 68 D 4.4461 7.4823 118.7072 52.6684 41.0637 174.0321 69 P 4.6534 0.0000 0.0000 64.7408 31.6577 176.7173 70 M 3.2605 9.2584 122.5517 54.9929 31.1272 176.2804 71 Y 5.1621 7.3768 114.7528 56.0644 41.9427 174.7966 72 L 4.7934 8.8675 122.7137 53.6096 44.1483 175.4717 73 T 4.9381 8.7064 120.2933 61.9095 70.5127 173.8192 74 F 4.7121 8.8254 125.9122 56.2597 41.1000 175.0653 75 T 5.4092 8.7381 120.1606 61.5524 71.5763 174.0184 76 S 4.2619 8.6015 119.8300 57.1326 64.1923 174.1023 77 Q 4.6142 8.1954 119.5119 55.9316 29.1605 176.1056 78 D 4.5478 8.1760 116.4254 53.1715 40.2687 177.1043 79 G 3.9572 8.2062 108.5753 45.7576 0.0000 173.8709 80 N 4.4629 8.4224 115.5348 52.7083 39.0773 174.2399 81 N 4.1251 7.9193 115.6157 54.7951 37.5163 173.6809 82 H 4.7404 8.1390 114.5542 55.9680 30.3424 176.0062 83 Q 5.4691 8.8490 120.4877 54.3766 32.8234 174.2803 84 F 5.3393 9.0612 116.4408 55.5703 42.0143 173.4714 85 T 5.2670 9.0498 110.7820 60.5243 71.5943 173.2828 86 T 5.4112 9.2430 112.9283 60.0003 72.9760 172.4628 87 K 5.0052 9.2543 121.0830 55.0936 36.1388 175.0482 88 V 4.8231 8.2300 121.6066 61.2457 33.1302 174.5781 89 I 4.9527 8.7633 120.7179 59.9111 41.8960 174.2842 90 G 4.5146 9.5376 109.0231 45.6468 0.0000 171.3349 91 K 5.4223 8.7350 118.2003 54.6865 35.4591 176.6333 92 D 4.7938 8.7946 123.7199 51.6946 41.7285 177.0283 93 S 4.0839 8.8418 113.4130 61.7606 62.3541 175.8227 94 R 4.1245 7.7168 115.0498 55.4518 29.3215 176.2635 95 D 4.5148 8.1140 115.3863 55.2405 40.7176 173.9472 96 F 4.8811 8.0693 117.0226 57.8577 39.5313 174.2641 97 D 5.1989 8.6761 124.2364 54.5280 41.4360 175.6553 98 I 5.0232 9.2524 116.1270 59.5061 41.6920 174.0391 99 S 4.9994 8.4167 116.1684 56.2449 65.9821 171.9045 100 P 4.9188 0.0000 0.0000 61.1018 32.9485 175.5853 101 K 4.2895 8.6478 119.3264 56.5045 33.4619 176.8435 102 V 4.6154 8.3439 123.3365 61.3452 34.3073 175.3172 103 N 4.1827 10.6899 128.3781 54.3234 36.6379 175.4526 104 G 4.0021 9.5646 104.4324 45.2468 0.0000 173.8839 105 E 4.6496 7.4704 118.1449 54.3745 33.5890 174.3051 106 N 4.6351 8.5413 120.6824 53.1043 39.4725 175.1219 107 L 4.0763 8.4880 125.2898 57.2061 42.6157 177.2237 108 V 4.3525 7.3631 115.5295 60.7991 34.3082 175.8403 109 G 3.9974 8.6791 107.7929 45.1808 0.0000 172.7809 110 D 4.5588 8.1714 118.2113 53.1850 41.5609 176.2672 111 D 4.3918 8.6097 120.5448 55.3594 41.6647 176.1798 112 V 4.6621 8.5117 118.4520 59.1683 36.3143 174.9874 113 V 4.1383 8.3476 122.9832 62.6832 31.8520 175.9787 114 L 4.4277 8.9937 128.4546 54.4383 42.3814 177.0462 115 A 4.1905 8.8484 124.0698 52.0967 18.9178 178.1349 116 T 3.8365 8.3624 118.0466 65.2434 68.1180 172.9112 117 G 3.8374 9.1024 118.2110 44.9028 0.0000 172.8783 118 S 4.9839 7.1753 113.7016 56.0167 67.0692 172.7507 119 Q 4.4008 9.2609 121.7237 54.4380 31.8725 173.6747 120 D 4.8415 8.4473 126.3557 53.6431 42.1835 175.8001 121 F 4.9655 8.7016 121.2700 55.6170 42.9669 173.8642 122 F 5.3311 9.2627 121.8740 55.8332 41.4113 174.9732 123 V 4.4808 8.9595 124.5571 62.3981 32.7308 174.7871 124 R 5.9351 9.3133 127.3794 53.0319 33.4770 175.4673 125 S 4.1373 8.8636 118.1938 59.7326 63.4675 173.3340 126 I 4.1341 9.0269 123.9017 60.6032 37.0840 179.3982 127 G 3.8786 6.8276 107.8972 46.1503 0.0000 170.6358 128 S 4.9385 8.5587 114.0096 56.1392 64.3361 175.1534 129 K 4.1042 8.8236 128.8300 58.6483 32.3993 177.7538 130 G 3.6762 8.2412 106.8617 45.5757 0.0000 175.1585 131 G 3.8419 8.6171 108.6786 45.8883 0.0000 172.4257 132 K 3.8322 8.6085 113.4992 57.3557 29.1288 176.3700 133 L 4.0350 8.0942 118.6954 54.6859 42.1611 177.2943 134 A 4.4794 8.0308 126.2155 50.3576 20.3024 176.7082 135 A 4.1168 8.4719 123.8191 52.2617 19.0978 178.5015 136 G 3.9962 8.1516 107.3005 44.0658 0.0000 171.8132 137 K 4.5707 8.2426 119.6049 55.6202 33.6383 175.6058 138 Y 5.0299 8.9225 122.8382 56.5006 40.0535 175.1987 139 T 5.0715 9.3857 113.6642 60.3018 72.8040 172.2270 140 D 4.7419 8.5340 120.3622 52.6717 44.6593 174.3805 141 A 4.4647 8.4581 126.8440 50.4459 20.1292 175.8130 142 V 4.4894 8.1121 122.6918 61.9981 33.4888 175.1850 143 T 4.1654 8.5594 125.6961 63.0157 69.6756 174.0564 144 V 4.0691 8.2463 127.4146 61.7188 32.4540 174.8095 145 T 4.4090 8.4305 126.2250 62.0512 70.2959 174.1478 146 V 4.5905 8.2884 126.1502 61.3299 33.6738 175.3011 147 S 4.6019 9.0748 125.8758 56.8792 62.6068 173.7700 148 N 4.4831 8.4887 122.3183 52.7037 39.1837 175.7425 149 Q 4.1715 8.6632 120.0484 56.4243 28.7442 176.4078 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 A 8.26 4.28 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 2 D 8.67 4.57 0.00 2.76 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.30 4.77 0.00 1.61 1.56 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.31 4.64 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 1.22 0.00 0.00 5 A 8.12 4.80 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 6 S 8.28 4.84 0.00 3.94 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 7 F 8.34 4.47 0.00 2.97 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 8 T 7.30 4.30 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 1.17 0.00 0.00 9 V 8.25 4.20 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 0.83 0.00 0.00 0.98 0.00 0.00 10 T 8.20 4.75 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 11 A 8.23 4.67 1.22 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 0.00 0.00 12 T 8.41 4.55 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 1.22 0.00 0.00 13 L 8.45 4.70 0.00 1.62 1.58 0.92 0.92 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 14 V 8.20 4.35 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 0.71 0.00 0.00 0.93 0.00 0.00 15 E 8.52 4.44 0.00 1.90 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 16 P 0.00 4.34 0.00 2.22 2.04 0.00 3.81 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 17 A 8.22 4.37 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 18 R 8.11 4.63 0.00 1.76 1.85 0.00 3.05 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 19 I 8.40 5.09 1.89 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.90 0.94 0.00 0.00 20 T 8.69 4.75 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 1.21 0.00 0.00 21 L 8.23 5.01 0.00 1.67 1.60 1.13 0.95 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 22 T 9.28 4.70 4.29 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 1.25 0.00 0.00 23 Y 8.72 5.31 0.00 3.08 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 24 K 8.75 4.19 0.00 1.76 1.57 0.00 1.70 0.00 0.00 1.63 0.00 0.00 2.83 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.25 1.32 7.81 25 E 8.44 3.78 0.00 1.78 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 2.36 2.30 0.00 26 G 8.72 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 0.00 0.00 0.00 0.00 27 A 8.59 4.19 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 28 P 0.00 4.27 0.00 2.17 2.08 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 29 I 8.04 4.21 1.67 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.52 0.62 0.00 0.00 30 T 8.19 4.29 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 1.18 0.00 0.00 31 I 7.88 4.26 1.82 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 0.41 0.92 0.00 0.00 32 M 8.88 4.30 0.00 2.11 2.10 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.49 0.00 *33 D 8.78 4.40 0.00 2.69 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 N 8.11 4.68 0.00 2.81 2.92 0.00 0.00 6.10 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 35 G 8.39 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 7.69 4.88 0.00 2.88 2.68 0.00 0.00 6.54 7.38 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 37 I 7.58 4.51 1.59 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.43 0.61 0.00 0.00 38 D 8.18 4.45 0.00 2.59 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 39 T 8.04 4.42 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 1.20 0.00 0.00 40 E 8.85 3.93 0.00 2.18 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 2.22 2.41 0.00 41 L 7.59 4.05 0.00 1.58 1.54 0.80 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.50 4.70 0.00 1.76 1.58 1.19 0.90 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 43 V 9.37 3.70 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 0.79 0.00 0.00 0.98 0.00 0.00 44 G 7.42 4.86 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 0.00 45 T 8.40 5.21 4.29 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 1.23 0.00 0.00 46 L 9.20 5.23 0.00 1.78 1.85 0.91 0.62 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 47 T 9.10 4.84 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 48 L 8.96 4.95 0.00 2.03 1.74 1.08 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.72 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 50 G 8.25 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 0.00 0.00 0.00 51 Y 7.11 4.30 0.00 3.05 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 52 K 8.54 4.21 0.00 1.87 1.78 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.54 1.49 7.81 53 T 8.38 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 1.26 0.00 0.00 54 G 9.46 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 0.00 0.00 0.00 0.00 55 T 7.92 3.74 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 0.89 0.00 0.00 56 T 7.70 4.97 4.50 0.00 0.00 0.00 0.00 0.00 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 57 S 8.97 4.22 0.00 4.22 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 58 T 7.79 4.27 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 1.24 0.00 0.00 59 S 7.84 4.41 0.00 4.23 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 60 V 7.43 4.75 2.21 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 0.86 0.00 0.00 0.90 0.00 0.00 61 N 8.79 5.34 0.00 2.77 2.50 0.00 0.00 6.81 7.32 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 62 F 9.45 4.96 0.00 2.92 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 63 T 9.00 5.24 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 64 D 8.75 4.99 0.00 2.67 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 65 A 8.67 4.02 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 66 A 8.17 3.96 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 67 G 8.39 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 0.00 0.00 0.00 68 D 7.48 4.45 0.00 2.80 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 69 P 0.00 4.65 0.00 2.05 1.96 0.00 3.80 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.12 0.00 70 M 9.26 3.26 0.00 1.42 1.49 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.31 0.00 71 Y 7.38 5.16 0.00 2.86 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.87 4.79 0.00 1.63 1.56 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 73 T 8.71 4.94 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 1.23 0.00 0.00 74 F 8.83 4.71 0.00 1.74 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 75 T 8.74 5.41 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 1.20 0.00 0.00 76 S 8.60 4.26 0.00 3.50 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 77 Q 8.20 4.61 0.00 2.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.24 2.40 0.00 78 D 8.18 4.55 0.00 2.75 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.21 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 0.00 0.00 0.00 80 N 8.42 4.46 0.00 2.67 2.75 0.00 0.00 6.96 8.56 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 81 N 7.92 4.13 0.00 2.77 2.80 0.00 0.00 7.11 7.89 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 82 H 8.14 4.74 0.00 3.33 3.51 0.00 5.61 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.85 5.47 0.00 1.96 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.57 0.00 84 F 9.06 5.34 0.00 3.25 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 85 T 9.05 5.27 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 86 T 9.24 5.41 4.49 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 1.41 0.00 0.00 87 K 9.25 5.01 0.00 1.84 2.12 0.00 1.34 0.00 0.00 1.69 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.55 1.42 7.81 88 V 8.23 4.82 1.60 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 0.15 0.00 0.00 0.53 0.00 0.00 89 I 8.76 4.95 2.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.01 0.96 0.00 0.00 90 G 9.54 4.51 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 0.00 91 K 8.74 5.42 0.00 1.72 1.77 0.00 2.06 0.00 0.00 2.00 0.00 0.00 2.99 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.48 1.43 7.81 92 D 8.79 4.79 0.00 2.87 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 93 S 8.84 4.08 0.00 3.97 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 0.00 94 R 7.72 4.12 0.00 1.60 1.84 0.00 2.90 0.00 0.00 3.00 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.50 0.00 95 D 8.11 4.51 0.00 2.77 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 96 F 8.07 4.88 0.00 3.53 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 97 D 8.68 5.20 0.00 2.61 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 98 I 9.25 5.02 1.99 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.09 1.01 0.00 0.00 99 S 8.42 5.00 0.00 3.86 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 0.00 100 P 0.00 4.92 0.00 2.11 1.56 0.00 3.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.77 0.00 101 K 8.65 4.29 0.00 1.89 1.81 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.35 7.81 102 V 8.34 4.62 1.86 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 0.96 0.00 0.00 0.78 0.00 0.00 103 N 10.69 4.18 0.00 2.89 2.92 0.00 0.00 7.30 7.53 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 0.00 104 G 9.56 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.47 4.65 0.00 1.85 1.71 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 2.25 2.22 0.00 106 N 8.54 4.64 0.00 2.67 2.71 0.00 0.00 6.97 7.85 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 0.00 107 L 8.49 4.08 0.00 1.40 1.61 0.82 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.36 4.35 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 109 G 8.68 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.17 4.56 0.00 2.71 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 8.61 4.39 0.00 2.61 2.61 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 0.00 112 V 8.51 4.66 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 0.76 0.00 0.00 1.00 0.00 0.00 113 V 8.35 4.14 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 0.85 0.00 0.00 0.95 0.00 0.00 114 L 8.99 4.43 0.00 1.32 1.48 0.49 0.87 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 0.00 115 A 8.85 4.19 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 0.00 116 T 8.36 3.84 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 1.20 0.00 0.00 117 G 9.10 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 0.00 118 S 7.18 4.98 0.00 3.86 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 0.00 119 Q 9.26 4.40 0.00 2.16 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.99 0.00 0.00 0.00 0.00 0.00 1.84 1.18 0.00 120 D 8.45 4.84 0.00 2.31 1.89 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 0.00 121 F 8.70 4.97 0.00 2.89 2.64 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 0.00 122 F 9.26 5.33 0.00 3.09 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 0.00 123 V 8.96 4.48 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 1.17 0.00 0.00 1.04 0.00 0.00 124 R 9.31 5.94 0.00 1.79 1.83 0.00 3.44 0.00 0.00 3.56 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 125 S 8.86 4.14 0.00 3.85 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 0.00 126 I 9.03 4.13 1.95 0.00 0.00 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 1.28 0.85 0.79 0.00 0.00 127 G 6.83 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 0.00 0.00 0.00 128 S 8.56 4.94 0.00 3.92 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 K 8.82 4.10 0.00 1.73 1.82 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.41 1.41 7.81 130 G 8.24 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 0.00 131 G 8.62 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 0.00 132 K 8.61 3.83 0.00 1.95 2.00 0.00 1.65 0.00 0.00 1.72 0.00 0.00 3.08 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.37 1.53 7.81 133 L 8.09 4.04 0.00 1.68 1.56 0.60 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.03 4.48 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 A 8.47 4.12 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 0.00 136 G 8.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.24 4.57 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.93 0.00 0.00 3.12 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.45 7.81 138 Y 8.92 5.03 0.00 3.07 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 0.00 139 T 9.39 5.07 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 1.29 0.00 0.00 140 D 8.53 4.74 0.00 1.58 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 0.00 0.00 0.00 0.00 141 A 8.46 4.46 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 0.00 142 V 8.11 4.49 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 1.02 0.00 0.00 0.79 0.00 0.00 143 T 8.56 4.17 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 144 V 8.25 4.07 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 -0.04 0.00 0.00 0.70 0.00 0.00 145 T 8.43 4.41 4.14 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 1.15 0.00 0.00 146 V 8.29 4.59 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 0.80 0.00 0.00 0.88 0.00 0.00 147 S 9.07 4.60 0.00 3.80 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 0.00 148 N 8.49 4.48 0.00 2.72 2.77 0.00 0.00 7.19 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Q 8.66 4.17 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.65 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 * Residues marked with a * may have inaccurate shift predictions.