NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.4728 8.3649 120.5485 54.1892 42.3604 175.5596 7 E 3.3609 8.1621 117.9230 53.2107 28.6362 172.2473 8 Y 4.9888 7.7101 121.5098 57.1386 39.6788 171.7406 9 D 4.6178 8.5490 120.0493 55.4817 42.3161 176.5690 10 Y 4.8538 7.8834 114.7685 56.5891 42.6119 173.1793 11 L 4.7412 8.7339 125.1710 53.3346 44.2262 175.1998 12 F 5.3255 9.3195 125.6685 55.6143 41.9781 174.4455 13 K 4.7952 8.8236 125.5619 55.8126 33.4665 175.3223 14 V 4.9472 9.2918 127.8699 61.2099 34.7586 174.4901 15 V 4.8683 8.7355 120.3389 59.5938 34.6605 174.5453 16 L 5.1740 8.8417 124.7061 53.7466 42.8451 176.1714 17 I 4.3492 9.0944 116.0592 58.9122 41.7989 173.9875 18 G 3.9027 6.5815 108.6458 43.3968 0.0000 172.4909 19 D 5.1763 8.3729 120.5025 54.1140 41.4599 176.5351 20 S 4.1130 8.6198 116.1319 60.3140 62.6695 174.7652 21 G 4.0338 8.9993 115.1388 45.4541 0.0000 174.3597 22 V 3.7780 7.1183 110.8120 62.1701 32.1329 177.0986 23 G 4.2083 8.4922 109.0191 45.5205 0.0000 175.5197 24 K 3.8873 8.5026 120.5266 59.7534 31.9591 179.2836 25 S 4.4201 7.9351 115.7458 60.9676 62.8189 176.0995 26 N 4.6869 8.0159 119.6492 54.8219 38.3974 177.3114 27 L 4.2022 8.0981 121.1151 57.5578 41.6181 178.8033 28 L 4.0775 8.1321 120.6878 58.3654 41.9654 179.2003 29 S 4.1090 8.4198 114.2018 61.3178 62.9643 176.3968 30 R 3.9447 8.1952 122.2227 59.1597 29.7103 178.1506 31 F 4.2065 8.2786 119.4991 61.5336 39.3852 176.5880 32 T 3.8021 7.9729 107.6243 62.7453 67.9985 175.4476 33 R 4.3488 8.0543 118.0749 54.6427 31.5462 175.2415 34 N 4.5100 7.8844 114.6333 54.4631 38.0178 173.2074 35 E 4.8380 7.4906 113.4476 53.8699 32.2636 175.4990 36 F 4.9527 8.5805 122.8965 56.2557 42.4014 173.5910 37 N 4.7005 8.4756 125.4636 51.3905 40.9855 174.0571 38 L 3.9798 8.5399 127.7809 57.4307 43.0999 177.2438 39 E 4.3358 8.1959 120.0412 54.8372 28.1411 176.1773 40 S 4.4843 7.4256 112.7059 56.4383 63.6323 173.6321 41 K 4.2702 8.2849 127.3089 55.2346 32.8936 176.8209 42 S 4.0461 8.5650 115.2335 59.0269 62.5493 174.4086 43 T 3.9499 8.4517 124.2501 63.7811 68.6127 173.7552 44 I 4.1876 8.2997 127.7293 61.1495 39.6975 177.4755 45 G 3.8863 8.9048 111.5173 45.7631 0.0000 172.2494 46 V 5.0507 8.1855 121.5670 61.4274 34.9193 174.8760 47 E 4.8260 9.4020 124.4015 55.2694 33.5990 173.3815 48 F 5.2450 7.5372 113.4263 55.6618 41.1313 173.2953 49 A 4.7108 9.0016 120.0541 50.5738 22.7139 175.2161 50 T 5.1988 8.4204 109.4963 60.1534 71.8674 173.6151 51 R 4.5078 8.8359 122.7381 55.0732 33.9412 173.7152 52 S 5.2937 8.5724 122.2074 57.5573 64.2793 173.5269 53 I 4.7685 8.5085 116.7927 59.0705 41.4390 174.2956 54 Q 4.6722 8.7095 123.2041 55.9135 29.5930 175.9000 55 V 4.3032 8.7494 123.9803 61.8105 34.6425 174.2223 56 D 4.1706 8.6651 129.1937 55.9105 39.1199 176.3776 57 G 3.7971 8.8191 114.2723 47.9404 0.0000 172.9778 58 K 4.8386 7.8195 120.0531 55.4332 34.3547 175.6965 59 T 4.9150 9.3088 114.5127 60.7041 70.9961 173.5752 60 I 4.6955 8.5682 126.4126 59.0741 40.5974 174.9117 61 K 4.3400 8.4528 127.3297 56.2115 32.8379 176.1267 62 A 4.8529 9.3255 129.1875 50.9318 20.5547 175.6701 63 Q 4.6454 9.6261 125.7730 54.9376 30.6806 174.2182 64 I 5.0623 8.9095 129.2374 59.8728 38.9318 175.1294 65 W 5.4629 9.6715 127.8298 55.3566 31.0751 174.9466 66 D 5.3050 9.5002 122.1537 53.5498 44.7949 173.6902 67 T 4.4611 8.1915 116.0380 60.9082 70.5840 172.3800 68 A 3.9988 7.9546 125.2759 51.6982 18.7767 177.8498 69 G 4.6287 8.4158 110.4868 45.0329 0.0000 175.2083 70 L 4.2173 8.2218 122.1907 56.8622 41.9578 177.4950 71 E 4.6127 7.8840 115.8926 54.7685 30.5991 175.0698 72 R 3.9487 7.7428 120.2697 56.2837 30.8630 175.4195 73 Y 4.6604 7.7561 120.0163 55.8614 41.4760 175.3358 74 R 4.5330 7.9727 121.9859 54.4366 32.8554 175.5104 75 A 3.8903 8.4591 120.2152 54.9345 18.4235 178.3857 76 I 4.1171 7.4487 107.3541 61.8023 38.6753 177.9399 77 T 3.7304 7.8317 119.7194 66.9250 68.1674 176.5479 78 S 4.2085 7.9472 116.2877 61.7785 62.7618 176.5700 79 A 3.9699 7.8936 121.3761 55.0617 18.1684 178.6592 80 Y 3.7368 7.7300 117.4538 60.9894 39.2342 177.4235 81 Y 4.2927 7.8919 116.1464 58.0887 38.0091 175.4863 82 R 3.9888 7.1408 121.6507 57.5031 30.2951 176.7129 83 G 3.8075 8.9125 112.8204 45.3982 0.0000 172.8031 84 A 4.2256 7.8822 123.6193 52.0510 18.8959 178.0506 85 V 4.1219 8.6966 116.2966 61.7488 33.5072 176.1698 86 G 4.4915 7.8551 106.6405 44.3419 0.0000 171.2879 87 A 5.3151 8.9077 124.2683 49.7884 22.2402 175.2415 88 L 4.3618 8.6565 123.0568 53.5630 43.3225 175.6410 89 L 4.7956 8.5095 127.1072 53.5452 43.6635 174.8655 90 V 5.0356 8.5274 127.2751 61.2388 34.4012 173.9707 91 Y 4.9387 8.7982 124.7710 55.2931 42.2998 173.3091 92 D 5.2734 9.2721 119.6415 52.2910 42.3304 177.0460 93 I 3.7591 8.7564 121.1766 63.4428 37.5469 177.2029 94 A 4.6402 8.5693 121.7651 51.3880 19.3920 177.0442 95 K 4.5163 8.1752 116.1106 53.8976 33.6615 176.1638 96 H 4.1194 8.9381 124.7677 59.1465 29.5844 176.3847 97 L 4.0456 8.0881 121.9343 58.4450 41.7032 178.9667 98 T 4.6451 7.7835 109.9222 64.4536 68.4706 175.5739 99 Y 3.8880 7.8636 121.9368 60.1902 38.7019 176.8106 100 E 3.7113 8.2911 118.9510 59.6125 29.9736 178.9395 101 N 4.4046 8.4091 115.2998 54.7459 38.5030 177.1374 102 V 3.7168 7.3836 121.2358 66.2176 31.4261 177.7345 103 E 4.1570 7.8645 116.4324 59.2986 29.5244 179.1146 104 R 3.8059 7.8297 118.7899 59.0073 30.0886 178.8472 105 W 4.4064 8.2010 118.6805 59.4277 28.9477 178.7463 106 L 4.0750 8.1491 119.3198 57.6640 41.1414 179.2227 107 K 3.8625 8.2898 119.7615 59.5411 32.1699 178.1670 108 E 4.0166 8.1839 119.4114 59.4407 29.5153 178.7728 109 L 3.6457 8.2877 119.0165 57.8220 41.4644 179.7521 110 R 3.8734 7.7967 116.7910 59.4511 30.0906 178.6221 111 D 4.3815 8.4202 117.8233 56.8062 40.8125 177.0581 112 H 4.7349 7.6612 113.4853 55.7534 31.3360 174.1483 113 A 4.2001 7.5821 121.5796 50.6330 19.3504 176.2255 114 D 4.3764 8.5087 118.8760 54.3901 41.7544 178.4137 115 S 4.1722 8.5855 119.1716 60.4652 63.4143 174.2450 116 N 4.7348 8.1285 118.7454 53.0885 38.6172 174.0809 117 I 3.7560 7.2160 117.6577 60.6755 38.7774 175.5981 118 V 3.8358 8.8121 130.3979 62.8997 32.1971 175.4055 119 I 5.2898 8.0666 128.8391 58.7568 41.0054 173.8272 *121 L 4.5892 8.1279 123.2843 55.4297 43.4735 175.5897 122 V 4.4435 9.0782 126.4862 60.9789 34.3680 174.5664 123 G 2.9970 8.6729 116.9821 45.1673 0.0000 172.2676 124 N 5.1457 8.5544 125.6175 51.0888 42.1416 174.1766 125 K 4.2606 8.6723 116.3751 57.5617 28.7837 178.5630 126 S 4.2378 8.2357 115.0179 60.5195 63.4194 175.1197 127 D 4.3598 8.0819 120.8265 55.7411 39.9848 176.5397 128 L 4.5323 7.6337 123.0936 53.8388 41.0378 178.1786 129 R 3.9326 7.6422 118.1877 59.5625 30.1686 179.2703 130 H 4.2432 7.9724 114.5204 57.9956 29.1547 175.8961 131 L 4.5675 7.6964 117.8810 54.1608 41.6136 175.9693 132 R 3.8634 7.6530 120.2647 56.6697 30.1573 176.1786 133 A 4.5519 8.8789 127.3094 51.8135 20.5695 176.2624 134 V 4.1906 7.5137 114.2443 59.5035 33.3987 173.7854 135 P 4.3994 0.0000 0.0000 62.4315 32.9199 177.1347 136 T 4.1610 8.7342 119.2012 67.3014 68.4067 176.3192 137 D 4.2868 8.0261 119.8434 57.2019 40.9463 178.1049 138 E 3.8512 8.1152 119.0283 59.4043 29.6288 178.6681 139 A 3.9883 7.4422 121.4261 54.3170 18.4734 179.3279 140 R 3.0872 7.9937 117.2579 59.5027 30.2106 178.0069 141 A 3.9020 8.3910 120.4728 55.5374 18.3758 178.9924 142 F 3.8415 8.3984 117.8498 61.4788 39.4622 177.3966 143 A 4.0691 8.1902 120.2197 55.2655 18.3404 179.5034 144 E 3.9882 8.0099 115.7431 59.3150 29.5415 178.8661 145 K 3.7794 7.6243 119.5420 58.8288 32.1214 177.4151 146 N 4.7154 7.3261 113.0845 52.0312 38.8565 174.9066 147 G 3.8729 7.7825 107.5900 46.7418 0.0000 173.7397 148 L 4.8679 8.1264 118.9172 52.1857 44.0437 177.3082 149 S 4.4650 8.1003 119.7240 59.0343 63.5908 173.5779 150 F 5.3613 8.4889 123.1213 57.1085 42.6275 173.3278 151 I 3.9397 7.3194 122.2754 59.8930 41.7857 172.6263 152 E 4.9870 8.2810 126.3521 54.7286 31.6964 175.1334 153 T 4.8299 8.6888 113.0374 59.9651 73.3956 172.7095 154 S 4.6022 8.7396 115.1545 56.5690 64.5571 174.4704 155 A 4.0781 8.8306 131.3571 55.0299 18.6470 178.5681 156 L 2.0000 7.7574 117.1607 57.2135 42.0667 177.3391 157 D 4.5283 7.8148 114.3948 52.9695 40.5394 177.1765 158 S 4.4025 8.4913 117.0764 58.1404 62.0954 168.8773 159 T 3.9467 8.3010 117.8998 65.4291 68.7002 174.6388 160 N 4.3207 9.0574 121.1086 53.9907 37.3193 176.3232 161 V 3.6194 7.7424 118.3718 66.1402 31.6157 177.5707 162 E 4.1897 8.3586 117.5629 59.5940 29.3813 179.1393 163 A 4.0336 7.9794 119.9548 54.9270 18.5686 179.2904 164 A 3.7699 8.4921 119.5724 55.4464 18.4851 179.9970 165 F 3.7167 7.9233 115.7155 60.4010 38.8265 177.7374 166 Q 4.0950 8.5341 118.2474 59.5858 28.6287 179.5497 167 T 3.8468 8.2824 116.6430 66.7220 68.2889 176.6667 168 I 3.6765 7.3635 119.0114 64.0038 38.4180 177.5957 169 L 4.2633 8.1244 119.9983 58.0724 41.5503 179.3731 170 T 4.0487 8.0700 113.1165 64.8340 67.1424 175.6680 171 E 4.2897 8.0965 117.9943 57.5857 29.5796 178.1541 172 I 3.9025 7.5922 122.2942 64.3414 37.6535 175.8540 *173 Y 4.2426 7.1901 120.4439 56.3817 36.3559 178.2926 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 6 D 8.36 4.47 0.00 2.72 2.77 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 7 E 8.16 3.36 0.00 2.12 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 2.03 2.16 0.00 8 Y 7.71 4.99 0.00 3.26 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 9 D 8.55 4.62 0.00 2.63 2.57 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 10 Y 7.88 4.85 0.00 2.36 1.92 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 11 L 8.73 4.74 0.00 1.67 1.60 0.94 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 12 F 9.32 5.33 0.00 2.94 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 13 K 8.82 4.80 0.00 1.86 1.84 0.00 1.10 0.00 0.00 1.41 0.00 0.00 2.18 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.26 1.39 7.81 14 V 9.29 4.95 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 0.97 0.00 0.00 1.04 0.00 0.00 15 V 8.74 4.87 1.72 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 -0.06 0.00 0.00 0.98 0.00 0.00 16 L 8.84 5.17 0.00 1.68 1.62 1.10 1.04 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 17 I 9.09 4.35 1.42 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.51 1.10 0.00 0.00 18 G 6.58 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 19 D 8.37 5.18 0.00 2.96 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 20 S 8.62 4.11 0.00 3.89 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 21 G 9.00 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.12 3.78 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 0.84 0.00 0.00 1.04 0.00 0.00 23 G 8.49 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 0.00 0.00 0.00 0.00 24 K 8.50 3.89 0.00 1.80 1.90 0.00 1.56 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.48 1.49 7.81 25 S 7.94 4.42 0.00 3.84 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 N 8.02 4.69 0.00 2.80 3.08 0.00 0.00 7.63 6.74 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 27 L 8.10 4.20 0.00 1.99 1.97 0.90 0.34 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 28 L 8.13 4.08 0.00 1.89 1.94 1.00 0.98 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 8.42 4.11 0.00 4.10 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.20 3.94 0.00 2.15 2.33 0.00 3.20 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 31 F 8.28 4.21 0.00 2.43 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.97 3.80 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 1.14 0.00 0.00 33 R 8.05 4.35 0.00 1.91 1.89 0.00 3.46 0.00 0.00 3.03 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.43 0.00 34 N 7.88 4.51 0.00 2.80 2.82 0.00 0.00 6.94 7.59 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 35 E 7.49 4.84 0.00 2.06 1.81 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 2.23 2.39 0.00 36 F 8.58 4.95 0.00 2.93 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 37 N 8.48 4.70 0.00 2.44 2.38 0.00 0.00 7.15 8.37 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 38 L 8.54 3.98 0.00 1.70 1.69 1.16 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.20 4.34 0.00 2.05 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 2.26 2.35 0.00 40 S 7.43 4.48 0.00 3.80 3.65 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 41 K 8.28 4.27 0.00 1.76 1.70 0.00 1.83 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.41 1.35 7.81 42 S 8.56 4.05 0.00 3.83 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 43 T 8.45 3.95 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 1.21 0.00 0.00 44 I 8.30 4.19 1.86 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 1.34 0.50 0.91 0.00 0.00 45 G 8.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 V 8.19 5.05 2.29 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 1.42 0.00 0.00 0.99 0.00 0.00 47 E 9.40 4.83 0.00 1.83 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.21 0.00 48 F 7.54 5.25 0.00 2.20 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.00 4.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 8.42 5.20 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 1.32 0.00 0.00 51 R 8.84 4.51 0.00 1.44 1.26 0.00 2.66 0.00 0.00 2.45 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 1.29 0.00 52 S 8.57 5.29 0.00 3.76 3.78 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 53 I 8.51 4.77 1.96 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.80 0.99 0.00 0.00 54 Q 8.71 4.67 0.00 1.99 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 55 V 8.75 4.30 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 1.06 0.00 0.00 1.01 0.00 0.00 56 D 8.67 4.17 0.00 2.88 2.33 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 57 G 8.82 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 0.00 0.00 0.00 58 K 7.82 4.84 0.00 2.03 1.87 0.00 1.63 0.00 0.00 1.84 0.00 0.00 3.01 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.73 1.70 7.81 59 T 9.31 4.91 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 60 I 8.57 4.70 1.87 0.00 0.00 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 0.93 0.87 0.71 0.00 0.00 61 K 8.45 4.34 0.00 0.80 1.34 0.00 1.12 0.00 0.00 1.47 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.26 0.98 7.81 62 A 9.33 4.85 1.52 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 63 Q 9.63 4.65 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.75 0.00 0.00 0.00 0.00 0.00 2.13 1.92 0.00 64 I 8.91 5.06 2.01 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.22 1.20 0.00 0.00 65 W 9.67 5.46 0.00 2.93 3.14 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 66 D 9.50 5.30 0.00 2.83 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 T 8.19 4.46 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 0.58 0.00 0.00 68 A 7.95 4.00 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 69 G 8.42 4.63 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 0.00 0.00 0.00 70 L 8.22 4.22 0.00 1.70 1.78 0.94 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.88 4.61 0.00 1.95 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 2.26 2.39 0.00 72 R 7.74 3.95 0.00 1.75 1.73 0.00 2.71 0.00 0.00 2.25 7.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.32 0.00 73 Y 7.76 4.66 0.00 2.93 2.77 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 74 R 7.97 4.53 0.00 1.87 1.95 0.00 2.81 0.00 0.00 3.14 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.43 0.00 75 A 8.46 3.89 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 76 I 7.45 4.12 1.85 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.91 0.00 0.00 77 T 7.83 3.73 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 1.31 0.00 0.00 78 S 7.95 4.21 0.00 3.89 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 79 A 7.89 3.97 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 80 Y 7.73 3.74 0.00 2.90 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 81 Y 7.89 4.29 0.00 3.08 2.88 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 82 R 7.14 3.99 0.00 1.92 1.86 0.00 3.29 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 83 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 84 A 7.88 4.23 1.20 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 0.00 0.00 85 V 8.70 4.12 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 0.62 0.00 0.00 0.80 0.00 0.00 86 G 7.86 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 0.00 0.00 0.00 0.00 87 A 8.91 5.32 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 88 L 8.66 4.36 0.00 1.49 1.43 -0.04 -0.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.51 4.80 0.00 1.80 1.60 0.96 0.98 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 90 V 8.53 5.04 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 0.91 0.00 0.00 0.85 0.00 0.00 91 Y 8.80 4.94 0.00 3.18 3.12 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 92 D 9.27 5.27 0.00 2.73 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 93 I 8.76 3.76 1.92 0.00 0.00 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 1.22 0.86 0.79 0.00 0.00 94 A 8.57 4.64 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 95 K 8.18 4.52 0.00 1.84 1.81 0.00 1.76 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.40 1.64 7.81 96 H 8.94 4.12 0.00 3.31 3.39 0.00 5.88 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 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8.20 4.41 0.00 3.62 3.26 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 0.00 106 L 8.15 4.07 0.00 1.89 1.79 1.17 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 107 K 8.29 3.86 0.00 1.80 1.79 0.00 1.62 0.00 0.00 1.54 0.00 0.00 2.85 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.56 1.43 7.81 108 E 8.18 4.02 0.00 2.21 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 0.00 2.83 2.65 0.00 109 L 8.29 3.65 0.00 1.93 1.65 1.03 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.80 3.87 0.00 1.83 1.95 0.00 3.15 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 111 D 8.42 4.38 0.00 2.53 2.39 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 0.00 112 H 7.66 4.73 0.00 2.87 3.42 0.00 5.84 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 0.00 113 A 7.58 4.20 1.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 131 L 7.70 4.57 0.00 1.76 1.68 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 132 R 7.65 3.86 0.00 1.75 1.86 0.00 3.23 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 133 A 8.88 4.55 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 0.00 134 V 7.51 4.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.08 0.00 0.00 0.96 0.00 0.00 135 P 0.00 4.40 0.00 2.16 1.94 0.00 3.73 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.15 0.00 136 T 8.73 4.16 4.32 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 1.47 0.00 0.00 137 D 8.03 4.29 0.00 2.75 2.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 E 8.12 3.85 0.00 1.96 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 2.40 2.40 0.00 139 A 7.44 3.99 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.99 3.09 0.00 1.83 2.03 0.00 3.19 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.69 0.00 141 A 8.39 3.90 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 0.00 142 F 8.40 3.84 0.00 3.27 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 0.00 143 A 8.19 4.07 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.01 3.99 0.00 2.22 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 2.59 2.28 0.00 145 K 7.62 3.78 0.00 1.78 1.85 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.25 1.38 7.81 146 N 7.33 4.72 0.00 2.47 2.62 0.00 0.00 7.05 7.59 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 0.00 147 G 7.78 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 0.00 148 L 8.13 4.87 0.00 1.55 1.65 1.08 0.96 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 0.00 149 S 8.10 4.47 0.00 3.89 3.82 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 0.00 150 F 8.49 5.36 0.00 3.00 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 0.00 151 I 7.32 3.94 1.67 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.97 0.69 0.00 0.00 152 E 8.28 4.99 0.00 1.72 1.69 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 2.11 2.07 0.00 153 T 8.69 4.83 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 1.11 0.00 0.00 154 S 8.74 4.60 0.00 3.87 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 0.00 155 A 8.83 4.08 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 L 7.76 2.00 0.00 0.65 1.29 0.54 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 157 D 7.81 4.53 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 0.00 158 S 8.49 4.40 0.00 3.97 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 0.00 159 T 8.30 3.95 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 1.17 0.00 0.00 160 N 9.06 4.32 0.00 2.95 2.87 0.00 0.00 6.78 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.74 3.62 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 1.08 0.00 0.00 162 E 8.36 4.19 0.00 2.10 2.11 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 2.53 2.41 0.00 163 A 7.98 4.03 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 0.00 164 A 8.49 3.77 1.15 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 0.00 0.00 165 F 7.92 3.72 0.00 2.29 2.35 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 0.00 166 Q 8.53 4.09 0.00 2.36 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.50 2.65 0.00 167 T 8.28 3.85 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 168 I 7.36 3.68 1.73 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 0.68 0.88 0.00 0.00 169 L 8.12 4.26 0.00 2.00 1.92 1.11 0.73 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 0.00 170 T 8.07 4.05 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 1.31 0.00 0.00 171 E 8.10 4.29 0.00 1.95 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 2.33 2.64 0.00 172 I 7.59 3.90 1.45 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.47 -0.38 0.00 0.00 *173 Y 7.19 4.24 0.00 2.40 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.