NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 Q 4.2877 8.3449 119.6870 55.4179 29.5603 174.7378 0 L 4.4064 8.3297 123.6903 54.3372 42.3149 171.4074 1 V 4.0170 8.9366 121.5377 62.8788 33.5099 175.2843 2 K 4.4392 8.7448 124.3790 56.8755 35.0416 175.5187 3 K 4.5521 8.0629 121.9753 54.6742 34.4440 174.9893 4 V 4.9208 8.7720 127.8783 60.9545 34.9274 173.9221 5 L 5.2039 8.8990 129.1635 53.1385 44.3785 174.9007 6 L 4.8629 8.9404 130.0173 54.9166 43.3203 175.3040 7 I 5.1515 9.0577 127.7492 59.6604 40.0824 174.2433 8 N 5.3717 9.7286 124.7664 51.7382 41.3459 175.1865 9 G 4.3437 8.6560 113.7916 43.7475 0.0000 171.3211 10 P 4.2386 0.0000 0.0000 64.1914 32.0224 177.2213 11 N 4.5869 9.4219 119.9173 54.3060 38.6461 176.9688 12 L 3.9769 8.0354 118.2613 57.3492 41.8212 178.8628 13 N 4.3074 8.1927 115.0446 55.4339 37.1782 175.5159 14 L 4.2752 8.4968 118.3782 54.9568 42.3769 176.1839 15 L 4.4607 7.8090 120.9912 54.7545 41.3201 176.0978 16 G 4.2615 8.0335 108.3690 44.4119 0.0000 172.6129 17 T 4.3394 8.2133 121.4850 63.0294 68.7433 176.0532 18 R 3.7741 7.1556 122.3498 58.7940 30.6312 176.3286 *23 Y 4.4890 7.5657 121.5971 56.7165 41.0842 175.4948 24 G 4.1944 7.7640 108.3606 44.2003 0.0000 174.7431 25 T 3.9393 8.3572 108.1341 62.4436 67.6879 174.2392 26 T 4.0971 8.4499 121.3726 64.0619 68.5022 174.5651 27 S 5.5113 8.6576 121.2630 55.9675 65.0706 175.0917 28 L 3.8831 8.2289 121.6326 58.1996 41.6421 178.7607 29 S 4.3151 7.6665 113.3045 60.6057 62.2811 175.8108 30 D 4.3375 7.7677 122.0913 57.2331 40.4967 178.8324 31 I 3.6493 7.5410 119.8217 64.2361 36.9027 177.8398 32 E 3.8694 8.1519 119.6112 59.7590 29.3852 179.7250 33 Q 4.0174 8.2321 117.5315 58.8412 28.8065 178.4802 34 A 3.9787 8.1019 121.5930 54.9764 18.1623 179.3752 35 A 3.8868 8.0898 119.1924 55.5477 18.6146 179.5599 36 I 3.6476 7.5729 118.0719 64.9844 37.3687 178.1641 37 E 4.0453 8.1794 119.2966 58.8178 29.2038 178.4782 38 Q 4.0115 7.8114 119.1404 58.7470 29.1616 177.5546 39 A 4.0790 7.7210 121.0605 55.1405 18.8372 179.2071 40 K 4.2000 7.8905 117.6515 59.5139 32.2887 180.1627 41 L 4.5737 7.6233 117.5612 54.9017 41.8993 177.8000 42 K 4.4435 8.2073 117.5504 55.0989 34.2307 177.2850 43 N 4.4489 8.6084 119.9358 54.8515 37.0019 178.0744 44 N 4.5809 7.6899 116.3393 52.7351 36.1455 174.6867 45 D 5.0450 8.1348 112.7758 56.6192 38.7975 174.5533 46 S 4.7589 7.3361 113.5280 58.7967 64.0301 173.4247 47 E 4.7483 8.5859 120.3690 55.4044 33.5281 174.1449 48 V 4.8588 8.3760 124.6787 61.2497 34.0249 174.5097 49 L 4.7707 8.7914 127.9890 53.5129 43.8816 175.9868 50 V 4.9729 8.3277 114.7008 59.7111 34.7379 174.9154 51 F 5.0192 9.4006 125.9361 56.7608 43.1019 172.9675 52 Q 5.2754 7.6353 124.9851 53.6208 32.0484 173.6900 53 S 4.5667 8.1547 118.2334 57.3730 65.0647 173.7852 54 N 4.4464 8.9531 121.7939 54.9998 39.1478 175.9083 55 T 4.3920 7.9917 116.2027 63.0582 69.2215 174.6685 56 E 3.4918 8.6710 126.5204 59.0723 29.9601 178.8751 57 G 3.6875 7.8340 104.8952 48.0350 0.0000 174.9873 58 F 4.7678 8.0403 120.1939 60.5431 38.9510 177.6777 59 I 3.9709 8.2475 119.2654 64.4982 36.8835 178.5492 60 I 3.6165 7.9997 120.6817 64.4804 36.9557 178.0470 61 D 4.2050 8.7904 120.6652 57.4519 40.6410 179.0894 62 R 3.5767 8.0921 119.2766 59.3318 29.7433 178.4987 63 I 3.6472 7.5526 118.5879 64.6058 37.3782 177.7373 64 H 4.3080 8.3192 117.0472 59.0216 28.6903 177.1483 65 E 3.8706 8.2527 120.7148 59.5448 29.2803 178.8201 66 A 4.1485 8.1485 120.5695 54.7981 18.2759 179.6432 67 K 3.8359 8.0012 118.2248 59.8017 32.1736 179.0586 68 R 3.8231 8.0409 117.3217 58.9834 29.9947 176.6299 69 Q 4.2909 7.8030 114.2517 55.1702 29.1147 175.9615 70 G 3.8605 8.2239 106.2682 46.0879 0.0000 174.1792 71 V 3.7804 8.3884 120.2542 62.9578 31.7223 176.2165 72 G 4.0425 8.8637 114.6134 47.9513 0.0000 173.4502 73 F 4.9786 8.0692 121.3909 56.8704 43.2721 172.8062 74 V 4.9778 8.7081 125.0242 61.1516 34.2873 174.1651 75 V 4.9094 8.7822 127.9884 61.3318 33.5874 174.0277 76 I 5.1521 8.8791 128.0806 59.1967 41.6077 173.5783 77 N 5.3507 9.7031 127.0552 50.9795 41.1606 174.0025 78 A 4.5598 8.7658 128.5909 50.9380 20.7078 177.6910 79 G 3.5926 7.9976 106.0029 46.2278 0.0000 176.2928 80 A 4.1477 8.6839 120.8489 55.8576 18.1113 178.9274 81 Y 4.8264 7.9732 114.2547 60.8670 37.7624 178.5039 82 T 3.9295 8.1263 117.4178 66.4674 68.3268 174.9275 83 H 5.0281 8.6191 115.6444 55.9660 29.7914 175.3620 84 T 4.8052 7.9389 107.8042 60.9824 70.4004 174.4800 85 S 4.5718 8.1527 118.3273 55.3879 61.0098 173.8619 86 V 3.2422 7.4614 124.7411 65.3474 31.3553 177.1294 87 G 3.5318 7.8195 104.8287 47.8714 0.0000 175.5730 88 I 3.6584 7.7382 122.2277 63.8018 37.0973 178.2345 89 R 3.7945 7.5863 119.7630 59.8818 29.8351 178.3942 90 D 4.6225 8.2903 117.8274 56.6824 40.6716 178.8056 91 A 3.9788 7.7621 121.7255 55.0291 18.3377 179.5366 92 L 3.8677 7.8316 117.4661 58.0597 41.4889 179.8155 93 L 4.1549 8.2482 117.9164 57.6072 41.5852 179.1045 94 G 3.7171 8.0528 107.5392 48.9223 0.0000 175.0403 95 T 3.8772 7.9219 108.8468 61.5154 69.0237 173.9946 96 A 3.7025 7.3466 124.1086 53.3409 16.5213 177.1005 97 I 4.3267 7.7044 120.5214 60.2147 38.8471 174.5447 98 P 4.3933 0.0000 0.0000 62.7622 32.4945 175.1625 99 F 5.8020 7.5517 114.9251 54.5669 42.2450 172.9313 100 I 4.9302 8.4944 119.7555 59.4187 39.8087 174.3592 101 E 4.8016 8.7969 129.1903 55.9893 30.4050 175.3839 102 V 4.6723 8.9380 126.9947 61.3346 34.9078 173.7475 103 H 5.0150 8.9088 123.8525 53.9729 31.6541 174.2336 104 I 3.9379 8.7576 124.7646 64.1890 37.9334 176.3465 105 T 4.7742 7.7523 109.0909 59.7149 71.0754 174.3471 106 N 4.5595 8.3627 120.7514 51.8884 37.6353 175.4111 107 V 3.3562 7.8149 124.1686 65.8972 32.2094 177.5950 108 H 4.1732 7.7748 114.5253 57.5992 28.7513 176.1981 109 Q 4.1541 8.2064 118.2844 57.6130 29.1276 176.3105 110 R 4.4323 7.5021 117.4921 54.7900 32.5129 175.7850 111 E 3.9217 8.2215 117.5006 56.8324 30.1422 176.2480 112 P 3.7523 0.0000 0.0000 65.5659 31.3595 178.9390 113 F 4.2867 7.9399 112.7100 59.4084 37.4485 176.5050 114 R 3.9797 6.8214 116.4495 56.7149 30.0924 177.2878 115 H 4.5166 7.9496 116.5907 56.2691 29.2739 175.0601 116 Q 4.5134 7.1593 118.8838 54.1987 30.0081 174.9332 117 S 4.9674 8.2857 116.1231 56.7848 65.0948 173.2996 118 Y 4.5505 8.7584 122.6920 58.8453 38.4999 176.7231 119 L 4.5865 8.8209 121.1244 57.1112 42.3394 178.8709 120 S 4.2877 8.6208 113.9964 60.8373 62.7404 175.7112 121 D 4.7063 8.0707 115.7925 53.6430 39.7419 176.5829 122 K 4.3772 8.2311 118.3483 56.2623 33.6913 176.3687 123 A 2.6810 7.0519 120.9310 51.1490 19.0386 177.9952 124 V 3.7344 8.4944 121.0125 65.5696 31.8251 175.9402 125 A 4.7288 7.5828 119.6649 50.1033 23.3643 174.3619 126 V 4.5954 8.2128 117.9586 61.2684 34.1135 174.6312 127 I 4.6880 8.4873 128.8909 59.5964 39.8452 174.4644 128 C 5.4697 8.2137 119.7169 59.0451 32.0658 174.2811 129 G 3.8651 9.1158 109.6385 45.8167 0.0000 173.2847 130 L 4.3943 7.7934 119.0469 54.1837 43.0768 178.4475 131 G 3.9177 7.8882 105.2000 46.4711 0.0000 175.4718 132 V 3.9514 8.3981 117.1130 65.9200 31.6456 178.1620 133 Y 4.5109 8.2939 119.1218 60.3245 38.5354 177.7377 134 G 3.5151 7.9778 106.6273 47.8429 0.0000 174.9475 135 Y 4.2019 7.3189 117.5344 61.3979 37.9849 178.9711 136 T 3.9999 7.9271 115.4825 66.6248 68.4740 175.9816 137 A 3.7714 7.3369 122.2186 55.1916 18.3137 179.1954 138 A 3.8936 7.9628 119.0776 55.7877 18.4250 180.0118 139 I 3.6525 8.1469 118.2731 64.5239 36.8942 178.4951 140 E 4.0698 8.0522 118.5091 58.7439 29.4988 178.2487 141 Y 4.0653 7.7599 119.6824 59.9336 39.0482 176.8295 142 A 2.6096 7.7311 122.8220 55.1483 18.3524 179.2848 143 L 4.1657 7.5527 110.8366 55.6006 41.0435 177.5182 144 N 4.8894 7.9350 113.4058 52.5448 41.0389 174.0674 145 Y 4.1784 7.8272 120.6047 56.4616 39.8314 175.3138 146 Q 4.0493 7.5689 122.7611 56.4351 28.7137 176.7034 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 Q 8.34 4.29 0.00 2.06 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.98 0.00 0.00 0.00 0.00 0.00 2.26 2.33 0.00 0 L 8.33 4.41 0.00 1.71 1.59 0.90 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 1 V 8.94 4.02 2.34 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 0.92 0.00 0.00 1.14 0.00 0.00 2 K 8.74 4.44 0.00 1.72 2.01 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.77 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.37 7.81 3 K 8.06 4.55 0.00 1.83 1.70 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.80 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.42 7.81 4 V 8.77 4.92 2.12 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 0.98 0.00 0.00 0.97 0.00 0.00 5 L 8.90 5.20 0.00 1.80 1.55 1.03 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 6 L 8.94 4.86 0.00 1.87 1.57 1.12 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 7 I 9.06 5.15 1.97 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 1.41 0.79 1.09 0.00 0.00 8 N 9.73 5.37 0.00 2.62 2.69 0.00 0.00 6.48 7.99 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 9 G 8.66 4.34 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 0.00 10 P 0.00 4.24 0.00 1.86 1.65 0.00 3.51 0.00 0.00 3.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.56 0.00 11 N 9.42 4.59 0.00 2.87 2.96 0.00 0.00 7.09 7.52 0.00 0.00 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 L 8.04 3.98 0.00 1.82 1.73 1.01 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.19 4.31 0.00 2.79 3.06 0.00 0.00 6.05 7.79 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 14 L 8.50 4.28 0.00 1.78 1.72 0.91 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.81 4.46 0.00 1.87 1.81 0.99 0.53 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 16 G 8.03 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 0.00 0.00 0.00 0.00 17 T 8.21 4.34 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 18 R 7.16 3.77 0.00 1.75 1.81 0.00 3.29 0.00 0.00 3.16 7.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 *23 Y 7.57 4.49 0.00 3.04 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 24 G 7.76 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 25 T 8.36 3.94 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 1.17 0.00 0.00 26 T 8.45 4.10 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 27 S 8.66 5.51 0.00 3.99 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 28 L 8.23 3.88 0.00 1.92 1.66 0.83 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.67 4.32 0.00 3.94 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.77 4.34 0.00 2.84 2.69 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 31 I 7.54 3.65 1.76 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 1.58 0.80 0.15 0.00 0.00 32 E 8.15 3.87 0.00 2.19 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 2.28 2.35 0.00 33 Q 8.23 4.02 0.00 2.10 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.48 2.50 0.00 34 A 8.10 3.98 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 35 A 8.09 3.89 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 36 I 7.57 3.65 2.03 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.20 0.91 0.00 0.00 37 E 8.18 4.05 0.00 2.21 2.12 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 2.31 2.36 0.00 38 Q 7.81 4.01 0.00 2.36 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.74 0.00 0.00 0.00 0.00 0.00 2.39 2.40 0.00 39 A 7.72 4.08 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 7.89 4.20 0.00 2.09 1.84 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.59 7.81 41 L 7.62 4.57 0.00 1.70 1.69 1.02 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 42 K 8.21 4.44 0.00 1.77 1.83 0.00 1.87 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.65 1.50 7.81 43 N 8.61 4.45 0.00 2.85 2.93 0.00 0.00 6.98 8.00 0.00 0.00 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 N 7.69 4.58 0.00 2.87 3.04 0.00 0.00 6.15 8.07 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 45 D 8.13 5.05 0.00 2.85 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 46 S 7.34 4.76 0.00 3.66 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 47 E 8.59 4.75 0.00 2.04 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.24 0.00 48 V 8.38 4.86 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 0.90 0.00 0.00 0.96 0.00 0.00 49 L 8.79 4.77 0.00 1.69 1.59 0.94 0.56 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 50 V 8.33 4.97 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 0.69 0.00 0.00 0.95 0.00 0.00 51 F 9.40 5.02 0.00 3.03 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.64 5.28 0.00 1.89 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.48 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 53 S 8.15 4.57 0.00 3.61 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 54 N 8.95 4.45 0.00 2.77 2.85 0.00 0.00 6.95 7.54 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 55 T 7.99 4.39 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 0.59 0.00 0.00 56 E 8.67 3.49 0.00 1.40 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 2.04 1.56 0.00 57 G 7.83 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 58 F 8.04 4.77 0.00 3.33 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.25 3.97 2.12 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.13 1.06 0.00 0.00 60 I 8.00 3.62 1.96 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 1.45 0.66 0.76 0.00 0.00 61 D 8.79 4.21 0.00 2.78 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 62 R 8.09 3.58 0.00 0.76 1.47 0.00 2.52 0.00 0.00 2.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.33 0.00 63 I 7.55 3.65 1.96 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 1.47 0.70 0.89 0.00 0.00 64 H 8.32 4.31 0.00 3.28 3.32 0.00 5.66 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.25 3.87 0.00 2.17 1.95 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 2.23 2.33 0.00 66 A 8.15 4.15 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 67 K 8.00 3.84 0.00 1.90 1.96 0.00 1.54 0.00 0.00 1.69 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.48 7.81 68 R 8.04 3.82 0.00 1.79 2.01 0.00 3.26 0.00 0.00 3.22 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 69 Q 7.80 4.29 0.00 2.33 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.25 0.00 0.00 0.00 0.00 0.00 2.32 2.27 0.00 70 G 8.22 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.39 3.78 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 0.94 0.00 0.00 0.95 0.00 0.00 72 G 8.86 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 73 F 8.07 4.98 0.00 3.10 2.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.71 4.98 2.12 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 1.02 0.00 0.00 0.96 0.00 0.00 75 V 8.78 4.91 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 1.13 0.00 0.00 1.06 0.00 0.00 76 I 8.88 5.15 1.91 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 1.14 1.64 1.01 0.00 0.00 77 N 9.70 5.35 0.00 2.79 2.84 0.00 0.00 6.90 8.76 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 78 A 8.77 4.56 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 79 G 8.00 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 80 A 8.68 4.15 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 81 Y 7.97 4.83 0.00 3.19 2.93 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 82 T 8.13 3.93 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 1.27 0.00 0.00 83 H 8.62 5.03 0.00 3.21 3.48 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.94 4.81 4.34 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 1.36 0.00 0.00 85 S 8.15 4.57 0.00 3.68 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 V 7.46 3.24 1.73 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 0.87 0.00 0.00 -0.09 0.00 0.00 87 G 7.82 3.53 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 0.00 88 I 7.74 3.66 1.83 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 1.38 0.58 0.83 0.00 0.00 89 R 7.59 3.79 0.00 2.00 2.09 0.00 3.11 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.84 0.00 90 D 8.29 4.62 0.00 2.87 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.76 3.98 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 92 L 7.83 3.87 0.00 1.60 1.64 -0.32 0.37 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 93 L 8.25 4.15 0.00 1.58 1.76 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.05 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 T 7.92 3.88 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 1.22 0.00 0.00 96 A 7.35 3.70 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 97 I 7.70 4.33 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.64 0.86 0.00 0.00 98 P 0.00 4.39 0.00 1.15 1.94 0.00 3.61 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.85 0.00 99 F 7.55 5.80 0.00 3.08 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 0.00 100 I 8.49 4.93 2.02 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.52 0.88 0.00 0.00 101 E 8.80 4.80 0.00 2.18 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 2.31 2.33 0.00 102 V 8.94 4.67 1.78 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 0.18 0.00 0.00 0.78 0.00 0.00 103 H 8.91 5.02 0.00 3.07 3.18 0.00 5.69 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.76 3.94 1.92 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 1.53 0.95 0.98 0.00 0.00 105 T 7.75 4.77 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 1.24 0.00 0.00 106 N 8.36 4.56 0.00 2.77 2.74 0.00 0.00 6.47 7.71 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 0.00 107 V 7.81 3.36 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 0.74 0.00 0.00 0.81 0.00 0.00 108 H 7.77 4.17 0.00 3.13 3.20 0.00 5.75 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 8.21 4.15 0.00 2.23 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.73 0.00 0.00 0.00 0.00 0.00 2.37 2.31 0.00 110 R 7.50 4.43 0.00 1.73 1.73 0.00 3.14 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.53 0.00 111 E 8.22 3.92 0.00 1.16 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 0.00 2.45 2.33 0.00 112 P 0.00 3.75 0.00 2.11 2.05 0.00 3.53 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 113 F 7.94 4.29 0.00 3.23 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 R 6.82 3.98 0.00 1.55 1.74 0.00 2.89 0.00 0.00 3.10 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.50 0.00 115 H 7.95 4.52 0.00 3.19 3.34 0.00 5.66 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.16 4.51 0.00 2.01 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.64 0.00 0.00 0.00 0.00 0.00 2.52 2.42 0.00 117 S 8.29 4.97 0.00 3.89 3.73 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 0.00 118 Y 8.76 4.55 0.00 3.08 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 0.00 119 L 8.82 4.59 0.00 1.98 2.05 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.62 4.29 0.00 3.91 3.98 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 0.00 121 D 8.07 4.71 0.00 2.80 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 0.00 122 K 8.23 4.38 0.00 1.99 2.00 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.45 1.61 7.81 123 A 7.05 2.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.49 3.73 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 0.90 0.00 0.00 0.69 0.00 0.00 125 A 7.58 4.73 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 V 8.21 4.60 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 0.96 0.00 0.00 0.93 0.00 0.00 127 I 8.49 4.69 1.76 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.54 0.83 0.00 0.00 128 C 8.21 5.47 0.00 3.03 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 0.00 129 G 9.12 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 0.00 130 L 7.79 4.39 0.00 1.60 1.78 0.99 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 131 G 7.89 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 0.00 0.00 0.00 132 V 8.40 3.95 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 1.09 0.00 0.00 133 Y 8.29 4.51 0.00 3.08 3.25 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 0.00 134 G 7.98 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.32 4.20 0.00 3.28 2.97 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 0.00 136 T 7.93 4.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 137 A 7.34 3.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.96 3.89 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 0.00 139 I 8.15 3.65 2.05 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 1.86 0.94 0.91 0.00 0.00 140 E 8.05 4.07 0.00 2.07 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 2.35 2.48 0.00 141 Y 7.76 4.07 0.00 2.94 2.97 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 0.00 142 A 7.73 2.61 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.55 4.17 0.00 1.69 1.67 0.91 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.94 4.89 0.00 2.74 2.58 0.00 0.00 6.83 6.99 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 0.00 145 Y 7.83 4.18 0.00 3.08 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 0.00 146 Q 7.57 4.05 0.00 1.64 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.42 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 * Residues marked with a * may have inaccurate shift predictions.