NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.5708 8.1316 120.0225 54.7444 43.0962 175.3099 1 V 4.2437 8.1667 120.6070 59.4950 33.2767 173.7988 2 K 4.4311 8.8591 125.2238 57.0878 36.3924 174.8168 3 K 4.9482 8.0699 122.3737 54.5188 34.4469 174.9160 4 V 4.9313 8.8255 128.1689 60.9827 34.7136 173.7666 5 L 5.0617 8.7165 129.6754 53.3974 44.1544 174.6958 6 L 5.0480 9.3743 129.8525 54.3978 43.3554 175.0206 7 I 5.1440 8.8618 128.0688 59.6774 40.0112 174.5172 8 N 5.4306 9.2351 124.1515 51.6541 41.4907 175.0609 9 G 4.2700 9.0877 115.2865 44.3755 0.0000 171.6407 10 P 4.4601 0.0000 0.0000 63.9162 32.2243 177.3311 11 N 4.5836 9.4735 118.1424 54.1763 38.1865 176.7680 12 L 4.2630 7.7617 117.8349 57.2703 41.7505 178.3343 13 N 4.5565 8.0784 113.8462 53.9817 37.6394 175.2570 14 L 4.4784 8.2865 119.8391 54.5033 42.2729 176.1780 15 L 4.4660 7.5832 120.4461 54.9736 41.4108 176.4847 16 G 4.1162 7.7625 110.9730 44.6330 0.0000 173.2862 17 T 4.3390 8.8941 121.8510 63.1963 69.2558 175.6029 18 R 4.2274 7.8015 120.4463 57.8567 31.9065 175.8434 *23 Y 4.5604 7.8040 114.7814 56.5389 40.2795 174.2050 24 G 4.0520 7.4932 107.6405 44.2041 0.0000 174.2538 25 T 3.5955 8.5597 114.2793 63.1676 68.9110 173.7063 26 T 4.1075 10.7500 120.5554 63.6533 67.9503 174.6422 27 S 5.0488 8.5711 124.1713 56.5051 65.6516 174.9751 28 L 3.8558 8.1777 122.6846 58.0852 41.8563 178.2370 29 S 4.0216 8.0755 112.7189 61.7398 62.1621 175.4926 30 D 4.3823 7.9981 121.2163 57.8306 40.6973 179.4328 31 I 3.6410 7.3772 119.5821 64.2413 37.0525 178.3965 32 E 3.8721 8.3014 119.6721 59.4649 29.3353 179.4354 33 Q 3.9412 8.5612 118.0755 58.9783 28.8334 178.4352 34 A 4.0101 8.1051 121.5662 55.3702 18.1508 179.6389 35 A 3.8707 7.9703 118.2547 55.5937 18.5137 179.7992 36 I 3.6035 7.7414 118.3133 64.8636 37.2150 178.2896 37 E 3.9787 8.6486 119.5249 59.1854 29.1215 178.7290 38 Q 3.9623 8.3402 118.8608 59.5904 29.3584 178.6369 39 A 4.1520 7.8494 121.2059 54.9224 18.2995 179.7976 40 K 3.9594 7.7648 117.3652 59.4048 31.9729 178.6576 41 L 4.2415 7.7674 116.9184 56.0051 42.0216 177.9068 42 K 4.1271 7.8482 116.8292 56.6575 33.2144 175.6985 43 N 4.1999 8.1966 117.7290 53.7309 36.1231 174.3571 44 N 4.6301 7.9808 108.2860 52.8584 38.5246 174.3801 45 D 4.4426 8.2951 114.9104 56.4313 38.3407 173.4834 46 S 4.7539 7.3064 112.2767 58.4162 64.8157 175.3705 47 E 4.6740 9.3086 122.0344 54.9027 33.3712 173.8658 48 V 4.7929 8.3987 126.3083 61.1891 33.3963 174.9339 49 L 4.5464 9.1888 128.7570 54.4498 43.2412 176.4498 50 V 5.0693 8.2023 113.7963 59.9010 35.2942 174.8885 51 F 4.9065 9.0888 125.0991 57.1696 43.1958 172.7129 52 Q 5.1718 7.2009 124.8970 54.2322 32.0550 173.4405 53 S 4.6363 8.3375 118.1121 57.5765 65.2717 173.5454 54 N 4.6355 8.9550 120.7563 53.8161 39.4889 175.6534 55 T 4.3596 7.6074 117.0901 61.6803 69.3261 174.3549 56 E 3.6562 8.7718 127.3139 59.3893 29.4717 178.6885 57 G 3.9842 7.9335 104.8704 48.2995 0.0000 175.3031 58 F 4.6688 8.1216 119.9113 60.3495 39.1445 177.7484 59 I 4.0057 8.0598 119.4575 64.2626 36.8461 178.5829 60 I 3.6110 7.8378 120.6852 64.4393 36.9007 177.7561 61 D 4.2238 8.5308 120.0566 57.7198 40.6828 179.1909 62 R 3.5195 8.1318 119.0097 59.5522 29.9494 178.6097 63 I 3.7142 7.5772 119.1159 64.5038 36.9559 178.0431 64 H 4.1558 8.2101 117.1566 58.8592 28.5436 177.3899 65 E 3.8568 8.4157 121.0254 59.1665 29.3743 178.3971 66 A 4.1581 8.1852 122.5635 54.3944 18.3494 179.3598 67 K 3.8074 7.9050 117.5674 59.9922 32.0556 179.1217 68 R 3.9414 7.5347 116.7033 59.0089 30.0064 178.1409 69 Q 4.3677 8.1164 115.9790 55.0759 28.8555 176.3044 70 G 3.6615 8.0707 108.1312 46.2350 0.0000 174.4107 71 V 3.6977 8.0332 120.0307 62.8275 31.9307 176.0664 72 G 4.0159 8.9386 114.5743 48.3585 0.0000 173.4371 73 F 4.8765 7.9064 120.2625 57.1604 43.0451 172.7699 74 V 5.0520 8.5443 124.3829 61.0889 34.6774 174.2485 75 V 4.9623 9.2672 127.7548 61.2842 33.7908 174.0166 76 I 5.0485 9.1375 128.5024 59.3214 41.5567 173.4020 77 N 5.2706 9.4707 127.9708 50.8915 40.2652 174.0612 78 A 4.4736 8.7122 127.5537 51.3360 19.8910 178.4986 79 G 3.7889 8.5453 107.9146 46.3023 0.0000 176.0506 80 A 4.0869 8.7150 123.5338 55.7194 18.3860 179.2900 81 Y 4.7533 7.5637 112.7435 61.6256 37.7520 178.9517 82 T 3.9352 8.1928 117.0174 66.8226 68.3450 175.1269 83 H 5.1584 8.7092 115.7918 56.2105 29.5436 175.6906 84 T 4.6682 8.0098 107.9918 60.7490 70.1279 174.4482 85 S 4.5930 8.1862 118.9369 55.8928 62.3481 174.0435 86 V 3.3666 7.6761 129.1810 65.2076 31.4025 177.5235 87 G 3.5695 7.8723 105.2771 47.9475 0.0000 175.5401 88 I 3.6873 8.1254 122.7124 63.8494 37.0815 178.5351 89 R 3.8104 7.5723 118.3728 59.6465 30.0118 178.3902 90 D 4.6474 8.3903 118.3020 56.6270 40.7411 178.7766 91 A 3.9431 7.8873 121.8202 55.0801 18.3922 179.5841 92 L 3.8458 8.1648 117.8961 57.9574 41.4480 179.6419 93 L 4.1160 8.3032 118.0608 57.9362 41.6383 179.5961 94 G 3.7104 8.2843 105.1284 47.5071 0.0000 175.0702 95 T 4.2228 7.8623 109.6691 60.6824 69.6215 174.6617 96 A 3.6521 8.1640 123.6323 53.2541 16.3803 177.2658 97 I 4.2264 7.7293 120.7755 60.7224 38.3172 174.4770 98 P 4.4165 0.0000 0.0000 62.9171 32.4185 175.1959 99 F 5.0860 7.6873 114.9504 55.4340 41.9301 172.8232 100 I 4.8318 8.8240 120.2949 59.5243 40.2790 174.2181 101 E 4.9148 8.8364 127.8096 55.3257 30.5967 174.8988 102 V 4.5844 8.9761 127.0650 61.3337 34.7342 173.8152 103 H 5.0579 8.7742 123.7073 53.9779 31.7860 174.4414 104 I 3.7862 8.7526 124.6224 64.0894 37.9799 176.5098 105 T 4.6508 7.7435 109.5869 59.6227 70.9989 173.6770 106 N 4.5796 8.3528 120.8704 52.4589 38.5504 175.9655 107 V 3.5985 8.1379 126.7614 64.5633 31.7573 177.6032 108 H 4.2825 8.2713 116.3099 57.2187 28.5377 175.8675 109 Q 4.2688 7.9213 117.8531 56.4122 29.1789 175.5175 110 R 4.7309 7.2254 117.7441 54.1338 32.8681 175.2988 111 E 3.8762 8.2290 117.2490 56.5764 30.2349 176.2180 112 P 3.6346 0.0000 0.0000 65.6127 31.6098 178.4508 113 F 4.2872 8.0717 112.1798 59.2270 37.7022 176.5074 114 R 3.8235 7.5374 119.2906 56.9232 30.2153 177.1199 115 H 4.3939 7.7918 114.9874 57.5931 28.9617 175.3871 116 Q 4.4500 7.5726 119.2762 54.4008 29.7274 175.0038 117 S 4.8983 8.2928 116.1790 56.8874 65.1289 172.9773 118 Y 4.6355 9.0330 123.6749 58.2862 38.0679 176.1441 119 L 4.7786 8.5613 122.0667 56.1973 43.6637 179.1242 120 S 4.3139 8.5388 114.2022 61.0562 62.8345 176.1591 121 D 4.4777 8.1343 117.3124 55.2162 39.3118 176.7550 122 K 4.2735 7.9054 117.5150 56.1613 32.9463 176.3779 123 A 2.9904 7.2529 122.1364 50.8894 19.3083 177.8133 124 V 3.7742 8.2497 120.3957 65.7075 32.2083 175.7905 125 A 4.6014 7.3886 119.5930 50.6485 23.2144 175.2074 126 V 4.5416 8.0237 117.8805 61.5463 34.3051 174.4379 127 I 4.5418 8.5219 129.7955 59.7876 39.0088 174.8356 128 C 5.0282 8.7769 121.6960 57.9599 32.2933 174.2402 129 G 4.0725 9.2649 111.0684 45.4620 0.0000 174.6043 130 L 4.4047 7.9500 117.8962 54.4264 42.6356 179.0051 131 G 4.0839 7.6540 107.0602 45.7610 0.0000 177.2392 132 V 3.9997 8.4234 112.6632 64.2603 32.1305 177.5497 133 Y 4.4454 8.4371 120.4242 60.3759 38.2710 178.0856 134 G 3.6840 7.9796 106.9952 48.2632 0.0000 175.0445 135 Y 4.1422 7.8343 119.4288 60.9714 37.9040 179.0434 136 T 4.0140 7.8781 115.8368 66.4793 68.5592 176.2944 137 A 3.7099 7.7441 122.7320 55.1326 18.3722 179.4907 138 A 3.9075 8.0143 119.2827 55.3824 18.3321 180.0312 139 I 3.6624 8.0541 118.4272 64.2826 37.0072 177.8438 140 E 3.8781 8.3388 119.5285 59.7711 29.6674 178.1061 141 Y 3.9829 8.2217 118.9700 60.4679 38.8349 177.8127 142 A 2.9214 7.9134 121.5970 54.8581 18.3319 179.2441 143 L 4.1740 7.8810 114.0345 56.0758 41.6165 177.4333 144 N 4.8052 7.4988 115.0742 52.7171 39.7859 173.4279 145 Y 4.1659 7.7748 121.9062 56.1275 39.6279 175.3971 146 Q 4.1700 8.0648 124.0485 56.4958 28.6774 175.9278 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 L 8.13 4.57 0.00 1.62 1.67 0.87 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 1 V 8.17 4.24 2.31 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 0.90 0.00 0.00 1.22 0.00 0.00 2 K 8.86 4.43 0.00 2.04 2.03 0.00 1.52 0.00 0.00 1.76 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 3 K 8.07 4.95 0.00 1.91 1.75 0.00 1.76 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.48 7.81 4 V 8.83 4.93 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 0.80 0.00 0.00 0.96 0.00 0.00 5 L 8.72 5.06 0.00 1.86 1.56 1.02 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.37 5.05 0.00 1.82 1.67 1.16 0.93 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 7 I 8.86 5.14 1.96 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.72 1.08 0.00 0.00 8 N 9.24 5.43 0.00 2.65 2.70 0.00 0.00 6.57 8.15 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 9 G 9.09 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 10 P 0.00 4.46 0.00 1.93 2.05 0.00 3.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.44 0.00 11 N 9.47 4.58 0.00 2.90 3.02 0.00 0.00 7.15 6.72 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 12 L 7.76 4.26 0.00 1.90 1.75 1.08 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 13 N 8.08 4.56 0.00 2.79 3.07 0.00 0.00 6.00 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 8.29 4.48 0.00 1.81 1.71 0.92 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 15 L 7.58 4.47 0.00 1.84 1.81 0.98 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.76 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 17 T 8.89 4.34 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 1.19 0.00 0.00 18 R 7.80 4.23 0.00 1.75 1.96 0.00 3.31 0.00 0.00 3.18 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 *23 Y 7.80 4.56 0.00 3.04 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 24 G 7.49 4.05 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 0.00 0.00 0.00 25 T 8.56 3.60 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 1.13 0.00 0.00 26 T 10.75 4.11 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 1.23 0.00 0.00 27 S 8.57 5.05 0.00 4.05 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 28 L 8.18 3.86 0.00 1.90 1.65 0.83 0.68 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 29 S 8.08 4.02 0.00 3.89 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 30 D 8.00 4.38 0.00 2.96 2.72 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 31 I 7.38 3.64 1.78 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 1.00 0.10 0.00 0.00 32 E 8.30 3.87 0.00 2.08 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 2.54 0.00 33 Q 8.56 3.94 0.00 1.99 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.71 0.00 0.00 0.00 0.00 0.00 2.51 2.51 0.00 34 A 8.11 4.01 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 35 A 7.97 3.87 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 36 I 7.74 3.60 2.10 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 1.53 0.87 0.91 0.00 0.00 37 E 8.65 3.98 0.00 2.19 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 2.42 2.46 0.00 38 Q 8.34 3.96 0.00 2.19 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.99 0.00 0.00 0.00 0.00 0.00 2.40 2.43 0.00 39 A 7.85 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 40 K 7.76 3.96 0.00 1.77 1.87 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.63 7.81 41 L 7.77 4.24 0.00 1.81 1.68 0.93 0.56 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 42 K 7.85 4.13 0.00 2.01 2.04 0.00 1.92 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.58 7.81 43 N 8.20 4.20 0.00 2.77 2.82 0.00 0.00 6.97 7.51 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 44 N 7.98 4.63 0.00 2.86 2.93 0.00 0.00 6.26 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 8.30 4.44 0.00 2.78 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 S 7.31 4.75 0.00 3.76 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 9.31 4.67 0.00 1.98 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 2.22 2.27 0.00 48 V 8.40 4.79 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 0.93 0.00 0.00 0.96 0.00 0.00 49 L 9.19 4.55 0.00 1.63 1.60 0.94 0.76 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 50 V 8.20 5.07 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 9.09 4.91 0.00 3.12 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 52 Q 7.20 5.17 0.00 1.90 1.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.50 0.00 0.00 0.00 0.00 0.00 2.36 2.06 0.00 53 S 8.34 4.64 0.00 3.89 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 54 N 8.96 4.64 0.00 2.75 2.82 0.00 0.00 6.91 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 7.61 4.36 3.61 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 0.48 0.00 0.00 56 E 8.77 3.66 0.00 1.16 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 2.09 1.85 0.00 57 G 7.93 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 0.00 0.00 0.00 58 F 8.12 4.67 0.00 3.35 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 8.06 4.01 2.10 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.58 1.00 0.00 0.00 60 I 7.84 3.61 2.01 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 1.58 0.62 0.80 0.00 0.00 61 D 8.53 4.22 0.00 2.78 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 62 R 8.13 3.52 0.00 1.14 1.77 0.00 2.60 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 0.67 1.38 0.00 63 I 7.58 3.71 1.99 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.01 0.87 0.00 0.00 64 H 8.21 4.16 0.00 3.24 3.31 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.42 3.86 0.00 1.97 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 0.00 2.21 2.46 0.00 66 A 8.19 4.16 1.37 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 0.00 0.00 67 K 7.91 3.81 0.00 1.90 1.94 0.00 1.54 0.00 0.00 1.77 0.00 0.00 3.06 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.42 1.53 7.81 68 R 7.53 3.94 0.00 1.93 1.98 0.00 3.19 0.00 0.00 3.21 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 69 Q 8.12 4.37 0.00 2.23 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.07 0.00 0.00 0.00 0.00 0.00 2.32 2.60 0.00 70 G 8.07 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.03 3.70 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 0.86 0.00 0.00 0.98 0.00 0.00 72 G 8.94 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 7.91 4.88 0.00 3.06 2.85 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 74 V 8.54 5.05 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 0.97 0.00 0.00 0.94 0.00 0.00 75 V 9.27 4.96 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 1.11 0.00 0.00 76 I 9.14 5.05 1.89 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 1.13 1.51 0.99 0.00 0.00 77 N 9.47 5.27 0.00 2.82 2.88 0.00 0.00 6.98 7.77 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 78 A 8.71 4.47 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 79 G 8.55 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 0.00 0.00 0.00 80 A 8.71 4.09 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 81 Y 7.56 4.75 0.00 3.17 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 8.19 3.94 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 1.28 0.00 0.00 83 H 8.71 5.16 0.00 3.23 3.50 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.01 4.67 4.35 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 1.34 0.00 0.00 85 S 8.19 4.59 0.00 3.78 3.93 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 86 V 7.68 3.37 1.76 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 0.88 0.00 0.00 -0.14 0.00 0.00 87 G 7.87 3.57 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 0.00 88 I 8.13 3.69 1.83 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 1.38 0.44 0.81 0.00 0.00 89 R 7.57 3.81 0.00 2.13 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 1.78 0.00 90 D 8.39 4.65 0.00 2.74 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 7.89 3.94 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 92 L 8.16 3.85 0.00 1.54 1.59 -0.26 0.35 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 93 L 8.30 4.12 0.00 1.62 1.76 0.96 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 94 G 8.28 3.71 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 95 T 7.86 4.22 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 1.25 0.00 0.00 96 A 8.16 3.65 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 97 I 7.73 4.23 1.85 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.87 0.00 0.00 98 P 0.00 4.42 0.00 1.18 1.97 0.00 3.60 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.93 0.00 99 F 7.69 5.09 0.00 3.06 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 0.00 100 I 8.82 4.83 2.01 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 1.18 0.86 0.00 0.00 101 E 8.84 4.91 0.00 2.23 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 2.19 2.29 0.00 102 V 8.98 4.58 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 0.15 0.00 0.00 0.76 0.00 0.00 103 H 8.77 5.06 0.00 3.04 3.19 0.00 5.68 0.00 0.00 0.00 0.00 6.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.75 3.79 1.93 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 1.54 1.11 0.99 0.00 0.00 105 T 7.74 4.65 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 8.35 4.58 0.00 2.83 2.76 0.00 0.00 6.63 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 8.14 3.60 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 0.41 0.00 0.00 0.81 0.00 0.00 108 H 8.27 4.28 0.00 3.20 3.29 0.00 5.84 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 0.00 109 Q 7.92 4.27 0.00 2.17 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.62 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 110 R 7.23 4.73 0.00 1.80 1.70 0.00 3.13 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.49 0.00 111 E 8.23 3.88 0.00 1.16 1.61 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 2.41 2.30 0.00 112 P 0.00 3.63 0.00 2.14 2.08 0.00 3.51 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.06 0.00 113 F 8.07 4.29 0.00 3.18 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 0.00 114 R 7.54 3.82 0.00 1.50 1.71 0.00 2.95 0.00 0.00 3.09 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.79 0.00 115 H 7.79 4.39 0.00 3.21 3.34 0.00 5.66 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 0.00 116 Q 7.57 4.45 0.00 1.95 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.61 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 117 S 8.29 4.90 0.00 3.91 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 0.00 118 Y 9.03 4.64 0.00 3.05 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 0.00 119 L 8.56 4.78 0.00 1.82 2.13 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.54 4.31 0.00 3.90 3.93 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 0.00 121 D 8.13 4.48 0.00 2.80 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 0.00 122 K 7.91 4.27 0.00 1.98 1.97 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.48 1.60 7.81 123 A 7.25 2.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.25 3.77 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 0.87 0.00 0.00 0.79 0.00 0.00 125 A 7.39 4.60 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 8.02 4.54 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 0.97 0.00 0.00 0.95 0.00 0.00 127 I 8.52 4.54 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 0.43 0.83 0.00 0.00 128 C 8.78 5.03 0.00 3.06 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 0.00 129 G 9.26 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 0.00 0.00 0.00 130 L 7.95 4.40 0.00 1.77 1.91 0.97 1.01 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 0.00 131 G 7.65 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 0.00 132 V 8.42 4.00 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 0.86 0.00 0.00 1.04 0.00 0.00 133 Y 8.44 4.45 0.00 3.03 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 0.00 134 G 7.98 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 0.00 135 Y 7.83 4.14 0.00 3.12 2.99 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 0.00 136 T 7.88 4.01 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 7.74 3.71 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 0.00 138 A 8.01 3.91 1.37 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 0.00 0.00 139 I 8.05 3.66 2.08 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 1.47 0.86 0.98 0.00 0.00 140 E 8.34 3.88 0.00 2.01 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 2.35 2.39 0.00 141 Y 8.22 3.98 0.00 3.10 3.03 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 0.00 142 A 7.91 2.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.88 4.17 0.00 1.69 1.69 0.91 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 144 N 7.50 4.81 0.00 2.67 2.60 0.00 0.00 6.84 7.24 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 0.00 145 Y 7.77 4.17 0.00 2.93 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 0.00 146 Q 8.06 4.17 0.00 2.10 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.42 0.00 0.00 0.00 0.00 0.00 2.18 2.12 0.00 * Residues marked with a * may have inaccurate shift predictions.