NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2369 8.1727 122.0633 56.3437 34.0831 173.9352 2 V 4.5976 8.3373 127.5881 61.0638 32.1114 174.5635 3 F 4.4164 9.4676 127.9693 57.1022 40.2648 175.6984 4 G 3.8562 8.9368 109.0601 45.9120 0.0000 174.7974 5 R 3.3422 8.8815 120.2195 59.6429 30.0153 178.6074 6 C 4.1157 8.0096 115.7613 62.7665 28.1548 175.6821 7 E 3.9523 8.0843 120.4786 59.0173 29.2503 178.4875 8 L 3.5386 8.2037 120.4539 57.9261 42.2691 178.4205 9 A 3.9243 8.0152 120.7992 55.4862 18.3884 179.5429 10 A 3.9473 8.2960 118.9455 55.2075 17.8960 179.7745 11 A 3.9935 8.0633 119.4113 55.5686 18.4915 179.8435 12 M 3.9458 8.2738 117.5527 58.0250 31.9372 178.9978 13 K 3.9308 7.9235 120.0368 59.2878 32.2737 178.9043 14 R 4.1034 7.7529 114.0340 58.2059 29.3887 177.2833 15 H 4.7777 7.3211 115.1434 55.0336 29.1800 174.6759 16 G 3.8354 7.7281 107.8463 46.6640 0.0000 175.4248 17 L 3.6118 7.6001 121.1255 55.3651 41.9758 176.1102 18 D 4.3395 7.8026 117.7179 56.0678 40.9007 175.3459 19 N 4.6293 9.6494 125.6593 53.2850 38.7822 173.0549 20 Y 4.2219 8.0535 118.7772 60.1454 38.9753 176.2313 21 R 3.6266 9.1951 125.6945 56.9472 27.9283 177.0980 22 G 3.7693 9.0030 105.6407 45.2904 0.0000 173.6358 23 Y 4.6278 8.2448 119.1784 56.0010 38.8646 175.8462 24 S 4.8870 8.6157 119.8461 57.5811 64.3939 174.7093 25 L 4.3408 8.8931 123.1882 58.8590 41.6055 179.6806 26 G 4.3964 8.7102 106.6860 47.4356 0.0000 175.1922 27 N 4.5134 8.3897 118.5744 56.0881 38.5167 177.4914 28 W 3.7786 8.1471 120.2583 59.3090 29.4095 178.7156 29 V 3.5366 7.8430 117.7260 66.3396 30.4531 178.2883 30 C 2.5782 8.0797 118.0979 59.0210 38.5162 175.4165 31 A 3.9198 7.7742 122.0252 55.1920 17.9684 179.5675 32 A 4.1303 7.7739 120.5076 54.2840 18.3444 179.8340 33 K 2.9119 7.5722 117.9826 59.3620 32.0176 178.7096 34 F 4.4234 7.1880 114.2371 58.8985 39.1330 177.4235 35 E 4.3600 7.6091 118.6549 58.4169 30.0518 177.4825 36 S 4.5171 7.8661 108.7441 56.6869 65.2069 173.4482 37 N 3.8918 8.6297 118.4271 54.8651 37.6580 174.4464 38 F 4.2061 8.1353 111.3909 57.4784 36.4865 173.8461 39 N 5.2480 7.9652 120.7838 52.2459 38.8855 175.6916 40 T 4.0738 9.0843 118.0789 64.1528 69.7710 175.6141 41 Q 4.7213 8.2110 118.9390 55.5215 29.5899 176.0494 42 A 4.2744 7.8661 122.7791 52.7358 19.5715 177.2064 43 T 5.2313 8.1434 115.9010 62.3549 73.1451 173.1781 44 N 4.8177 8.1825 123.0683 52.3665 42.4315 173.3508 45 R 4.4047 8.6748 125.9705 56.2255 30.9643 175.8763 46 N 5.0875 9.1796 121.6256 51.6305 41.0650 176.3903 47 T 3.9911 8.5329 110.7617 64.3657 69.2082 175.3157 48 D 4.4170 7.9791 119.7759 54.1290 39.6414 176.9271 49 G 3.9574 7.9689 109.0298 45.0241 0.0000 173.9368 50 S 4.6543 8.4180 115.0904 58.1099 65.3157 173.2603 51 T 4.9933 8.6512 116.0654 61.8519 72.5784 173.1910 52 D 5.3234 8.8466 125.1388 53.9644 42.8682 175.2154 53 Y 4.9940 8.7001 119.0542 57.6990 42.6188 176.5614 54 G 4.2758 9.4353 111.1665 45.3590 0.0000 173.5405 55 I 4.2693 8.2335 109.9513 62.6012 37.1198 177.0205 56 L 4.5493 7.7068 117.1082 53.4088 43.1099 176.1216 57 Q 3.4872 7.8587 116.7322 57.0697 26.5751 173.9862 58 I 4.2977 8.2488 119.3058 60.6869 39.1066 177.0232 59 N 5.2986 9.2165 126.2755 53.5757 40.1435 175.1854 60 S 5.1847 8.9192 118.9009 58.8435 63.6497 175.2010 61 R 3.7229 9.4313 123.2697 59.4138 30.3230 178.0638 62 W 3.9508 8.0969 117.5305 57.7635 30.3695 178.0149 63 W 4.9492 8.1401 118.5706 57.7342 31.2311 173.8912 64 C 5.6177 8.1927 112.0816 53.7880 46.6752 172.2658 65 N 5.3388 8.8092 118.2087 51.7716 40.5070 174.3666 66 D 4.7657 8.8485 124.1422 52.4117 40.0622 176.8615 67 G 3.9667 8.3738 106.7243 46.4275 0.0000 174.3732 68 R 4.6621 8.4557 113.9944 55.8556 30.4417 175.8484 69 T 4.3706 7.5195 116.2056 60.9870 69.2435 169.8141 70 P 4.1214 0.0000 0.0000 63.5903 31.3937 176.5408 71 G 3.8121 8.9135 111.1880 45.7527 0.0000 173.3124 72 S 4.1611 7.5386 113.5170 58.1730 63.4282 174.1273 73 R 4.3072 7.9595 122.1521 54.8392 31.3789 175.9081 74 N 5.0290 7.9116 117.2719 52.0405 37.5874 174.7336 75 L 3.8711 8.3013 120.7727 57.8894 42.6754 179.6147 76 C 4.5666 8.7713 113.6078 56.4006 41.1562 173.2133 77 N 4.1642 8.6642 117.7285 53.8928 36.2359 173.7584 78 I 4.7135 8.2652 111.3706 58.1993 41.8100 173.8988 79 P 4.7544 0.0000 0.0000 62.7161 32.0166 178.5370 80 C 4.1439 8.7566 119.8066 59.6712 33.9948 176.6854 81 S 3.8403 7.8587 115.2871 61.1008 62.1327 176.1325 82 A 4.1011 7.7512 123.9286 54.3803 17.9322 178.6479 83 L 4.3052 7.9522 116.1280 55.9122 41.9887 177.9588 84 L 5.4202 7.3470 116.9475 53.9331 42.1895 176.8844 85 S 4.4016 7.3997 112.8730 57.8319 62.8403 174.3053 86 S 4.3253 8.5742 118.9071 60.1398 63.2747 173.5545 87 D 4.8236 7.9602 121.7695 52.8981 41.6294 176.4567 88 I 4.0114 8.2918 119.6658 61.7041 37.8796 177.4506 89 T 3.5389 8.1208 119.0043 67.0756 68.3679 175.9139 90 A 3.9447 7.8375 121.6839 55.3501 18.4923 179.6625 91 S 4.0743 7.9504 113.1893 61.5185 62.8530 177.0533 92 V 3.2763 7.9140 121.2148 66.0449 31.1945 177.6056 93 N 4.1415 8.2097 116.6137 56.7487 38.3567 176.5320 94 C 4.2897 8.2571 119.2849 59.2235 41.8073 175.3573 95 A 4.0460 8.0650 122.6317 55.1636 17.7417 179.6014 96 K 3.4776 7.9036 116.3470 59.4077 32.0616 179.0941 97 K 4.1922 7.5141 118.9740 59.3245 32.2299 178.6589 98 I 3.4398 7.3549 119.4273 62.9245 37.1617 176.9884 99 V 4.1875 8.0278 121.2340 62.1554 31.1754 174.8822 100 S 4.6989 8.5113 120.9307 58.5697 66.8702 176.5666 *104 G 4.1397 8.2221 105.7605 44.5903 0.0000 173.2190 105 M 4.0001 5.8600 125.0321 55.4428 32.0338 177.5443 106 N 4.7755 7.9447 116.3766 55.0832 39.2407 175.8686 107 A 3.8019 8.0504 121.1020 54.9464 18.2664 178.3556 108 W 4.5659 7.9221 119.0566 55.4678 29.1718 177.4510 109 V 3.6287 8.4297 124.2685 65.8592 31.1043 177.3075 110 A 3.8858 8.1550 119.9334 55.0158 18.1634 178.9512 111 W 4.0620 8.4026 126.2260 60.8511 30.4466 177.8695 112 R 3.4423 8.2191 117.2420 59.2609 29.5942 177.6326 113 N 4.4890 8.1703 115.1114 54.5114 38.9935 176.6004 114 R 4.3703 8.0021 116.7429 55.5672 32.3324 175.4269 115 C 4.7215 7.2895 114.4360 57.9072 42.5079 174.2522 116 K 3.6251 6.7033 120.4632 57.4306 31.7429 176.9551 117 G 3.8397 8.9085 114.5394 45.4564 0.0000 172.8479 118 T 4.4145 7.1193 109.4978 59.8712 71.0199 175.6203 119 D 4.6997 8.1665 121.0536 53.6769 39.2676 176.6325 120 V 4.2397 7.9123 116.2582 63.2439 32.5092 178.2994 121 Q 4.2598 8.2175 118.2542 57.7025 29.5081 177.6233 122 A 3.9779 8.0277 120.3705 55.3237 18.0099 179.5910 123 W 4.2699 8.3295 115.1557 59.3646 29.1775 177.6234 124 I 4.2704 7.7041 118.2546 61.4613 37.7753 176.4934 125 R 4.0844 7.2267 118.4498 57.2746 30.4685 176.7713 126 G 4.0011 9.1176 109.6292 45.4548 0.0000 173.2691 127 C 4.3625 7.7855 121.9524 59.6863 28.4881 173.6153 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 K 8.17 4.24 0.00 1.81 1.79 0.00 1.33 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 1.23 7.81 2 V 8.34 4.60 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 0.96 0.00 0.00 0.99 0.00 0.00 3 F 9.47 4.42 0.00 2.86 2.84 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 4 G 8.94 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 5 R 8.88 3.34 0.00 2.14 2.03 0.00 3.55 0.00 0.00 3.64 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 2.04 0.00 6 C 8.01 4.12 0.00 3.01 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 7 E 8.08 3.95 0.00 2.06 2.22 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 2.51 2.37 0.00 8 L 8.20 3.54 0.00 1.39 1.24 0.03 1.10 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 9 A 8.02 3.92 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 10 A 8.30 3.95 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 11 A 8.06 3.99 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 12 M 8.27 3.95 0.00 1.88 2.02 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.31 0.00 13 K 7.92 3.93 0.00 1.97 1.91 0.00 1.64 0.00 0.00 1.70 0.00 0.00 3.00 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.44 7.81 14 R 7.75 4.10 0.00 1.96 1.99 0.00 3.05 0.00 0.00 3.14 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.42 0.00 15 H 7.32 4.78 0.00 3.03 3.17 0.00 5.74 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.73 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 17 L 7.60 3.61 0.00 1.34 0.43 0.24 -0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 18 D 7.80 4.34 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 N 9.65 4.63 0.00 3.07 3.06 0.00 0.00 6.45 7.25 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 20 Y 8.05 4.22 0.00 3.22 3.05 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 0.00 0.00 0.00 21 R 9.20 3.63 0.00 1.96 1.86 0.00 3.42 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.50 0.00 22 G 9.00 3.77 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 0.00 0.00 0.00 23 Y 8.24 4.63 0.00 3.43 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 24 S 8.62 4.89 0.00 4.28 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 25 L 8.89 4.34 0.00 2.14 1.86 0.97 1.03 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 26 G 8.71 4.40 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 0.00 27 N 8.39 4.51 0.00 2.76 2.47 0.00 0.00 6.97 7.34 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 28 W 8.15 3.78 0.00 3.37 3.06 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 29 V 7.84 3.54 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 1.16 0.00 0.00 0.99 0.00 0.00 30 C 8.08 2.58 0.00 2.00 2.95 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 31 A 7.77 3.92 0.87 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 32 A 7.77 4.13 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 33 K 7.57 2.91 0.00 1.30 1.14 0.00 0.61 0.00 0.00 0.95 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 0.84 0.47 7.81 34 F 7.19 4.42 0.00 3.08 3.04 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 35 E 7.61 4.36 0.00 2.01 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 0.00 2.53 2.36 0.00 36 S 7.87 4.52 0.00 4.15 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 37 N 8.63 3.89 0.00 2.72 2.81 0.00 0.00 7.23 7.10 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 38 F 8.14 4.21 0.00 3.35 3.28 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 39 N 7.97 5.25 0.00 2.89 2.91 0.00 0.00 6.96 6.63 0.00 0.00 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 T 9.08 4.07 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 41 Q 8.21 4.72 0.00 2.19 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.43 0.00 42 A 7.87 4.27 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 43 T 8.14 5.23 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 1.12 0.00 0.00 44 N 8.18 4.82 0.00 2.77 2.57 0.00 0.00 7.17 7.65 0.00 0.00 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 R 8.67 4.40 0.00 1.72 1.83 0.00 3.39 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 46 N 9.18 5.09 0.00 2.84 2.72 0.00 0.00 6.42 7.02 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 47 T 8.53 3.99 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 48 D 7.98 4.42 0.00 2.78 2.83 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 49 G 7.97 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 50 S 8.42 4.65 0.00 3.93 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 51 T 8.65 4.99 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 0.43 0.00 0.00 52 D 8.85 5.32 0.00 2.52 2.60 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 53 Y 8.70 4.99 0.00 2.91 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 54 G 9.44 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 0.00 0.00 0.00 0.00 55 I 8.23 4.27 1.83 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.47 0.93 0.00 0.00 56 L 7.71 4.55 0.00 1.67 1.77 0.75 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 7.86 3.49 0.00 2.49 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.61 6.79 0.00 0.00 0.00 0.00 0.00 2.37 2.63 0.00 58 I 8.25 4.30 2.03 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.12 1.03 0.00 0.00 59 N 9.22 5.30 0.00 3.12 3.13 0.00 0.00 6.95 7.31 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 60 S 8.92 5.18 0.00 4.04 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 61 R 9.43 3.72 0.00 1.69 2.07 0.00 2.51 0.00 0.00 2.80 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 62 W 8.10 3.95 0.00 1.78 1.79 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 63 W 8.14 4.95 0.00 3.56 3.33 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 64 C 8.19 5.62 0.00 3.11 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 N 8.81 5.34 0.00 2.84 2.66 0.00 0.00 7.19 8.65 0.00 0.00 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 D 8.85 4.77 0.00 2.78 2.52 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 67 G 8.37 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 0.00 0.00 0.00 68 R 8.46 4.66 0.00 1.91 1.96 0.00 3.06 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.91 0.00 69 T 7.52 4.37 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 1.19 0.00 0.00 70 P 0.00 4.12 0.00 1.98 1.99 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.11 0.00 71 G 8.91 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 0.00 0.00 0.00 72 S 7.54 4.16 0.00 3.95 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 73 R 7.96 4.31 0.00 1.84 1.83 0.00 3.18 0.00 0.00 2.98 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.68 0.00 74 N 7.91 5.03 0.00 2.78 2.64 0.00 0.00 6.97 6.66 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 75 L 8.30 3.87 0.00 1.74 1.87 0.66 0.92 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 76 C 8.77 4.57 0.00 3.17 3.20 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 77 N 8.66 4.16 0.00 2.76 2.80 0.00 0.00 6.67 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 78 I 8.27 4.71 1.86 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 1.32 0.80 0.91 0.00 0.00 79 P 0.00 4.75 0.00 2.14 1.96 0.00 3.57 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 2.08 2.08 0.00 80 C 8.76 4.14 0.00 2.08 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 81 S 7.86 3.84 0.00 4.02 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 82 A 7.75 4.10 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 83 L 7.95 4.31 0.00 2.04 1.80 0.93 0.49 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 84 L 7.35 5.42 0.00 1.84 1.78 1.08 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.40 4.40 0.00 3.89 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 86 S 8.57 4.33 0.00 4.00 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 87 D 7.96 4.82 0.00 2.69 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 88 I 8.29 4.01 1.64 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 1.49 0.66 0.56 0.00 0.00 89 T 8.12 3.54 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 90 A 7.84 3.94 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 91 S 7.95 4.07 0.00 3.82 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 92 V 7.91 3.28 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 0.77 0.00 0.00 0.70 0.00 0.00 93 N 8.21 4.14 0.00 2.88 2.82 0.00 0.00 6.76 7.27 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 94 C 8.26 4.29 0.00 3.11 3.06 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 95 A 8.06 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 K 7.90 3.48 0.00 1.61 1.56 0.00 1.37 0.00 0.00 1.20 0.00 0.00 2.31 0.00 0.00 2.49 0.00 0.00 0.00 0.00 0.30 0.93 7.81 97 K 7.51 4.19 0.00 1.74 2.00 0.00 1.84 0.00 0.00 1.82 0.00 0.00 3.46 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.72 1.78 7.81 98 I 7.35 3.44 1.52 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 -0.36 -0.03 0.00 0.00 99 V 8.03 4.19 2.65 0.00 0.00 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 1.20 0.00 0.00 100 S 8.51 4.70 0.00 4.06 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 *104 G 8.22 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 0.00 0.00 0.00 0.00 105 M 5.86 4.00 0.00 0.51 0.57 0.00 0.00 0.00 0.00 0.00 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.07 0.00 106 N 7.94 4.78 0.00 2.75 2.98 0.00 0.00 6.94 7.35 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 0.00 107 A 8.05 3.80 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.92 4.57 0.00 3.61 3.08 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 0.00 109 V 8.43 3.63 2.14 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 1.17 0.00 0.00 0.97 0.00 0.00 110 A 8.15 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 0.00 111 W 8.40 4.06 0.00 3.31 3.50 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 0.00 112 R 8.22 3.44 0.00 2.22 2.08 0.00 3.40 0.00 0.00 3.55 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 113 N 8.17 4.49 0.00 2.63 2.72 0.00 0.00 6.86 7.21 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 0.00 114 R 8.00 4.37 0.00 0.98 1.27 0.00 2.74 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.24 0.00 115 C 7.29 4.72 0.00 2.19 2.84 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 0.00 116 K 6.70 3.63 0.00 0.79 1.14 0.00 1.57 0.00 0.00 1.54 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.19 1.10 7.81 117 G 8.91 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 T 7.12 4.41 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 1.24 0.00 0.00 119 D 8.17 4.70 0.00 2.76 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.91 4.24 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 0.92 0.00 0.00 1.08 0.00 0.00 121 Q 8.22 4.26 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.55 2.37 0.00 122 A 8.03 3.98 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 0.00 123 W 8.33 4.27 0.00 3.48 3.45 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 0.00 124 I 7.70 4.27 2.14 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 1.87 0.90 0.98 0.00 0.00 125 R 7.23 4.08 0.00 1.85 1.86 0.00 3.14 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.82 0.00 126 G 9.12 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 0.00 127 C 7.79 4.36 0.00 3.10 2.84 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 * Residues marked with a * may have inaccurate shift predictions.