NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.3807 8.3349 115.2899 58.4696 63.3921 173.3391 5 Q 4.1734 8.5345 124.4647 55.1592 29.4275 173.9707 6 A 4.3080 8.0683 123.4610 50.9322 20.5801 178.3866 7 L 3.8124 8.4712 124.7671 57.9638 42.2723 179.0946 8 S 4.3467 7.8984 111.3661 60.3598 62.9924 174.2631 9 D 4.5796 7.7369 119.6390 54.7090 41.3574 176.4421 10 D 4.4544 8.2219 120.1781 53.9670 41.7112 176.1178 11 I 3.7990 8.5340 128.3945 64.1047 38.0596 177.8441 12 G 3.6171 8.2119 106.3178 47.5368 0.0000 175.3279 13 F 4.1840 8.7888 123.1807 61.0834 39.3629 177.1761 14 L 3.7510 8.2885 118.7640 57.7255 41.3525 179.5028 15 L 3.9418 7.9535 118.7791 58.0083 41.5815 179.8893 16 S 4.0342 7.9781 115.0341 61.3130 62.5042 176.6652 17 R 3.6183 7.5511 120.6969 59.4553 29.9092 178.4909 18 V 3.7425 7.6979 117.0376 65.7697 31.7402 177.7306 19 G 3.9282 8.3149 105.9052 47.6366 0.0000 176.4044 20 G 3.8815 7.9303 106.5988 44.7320 0.0000 175.6794 *22 V 3.3290 7.7779 122.0260 62.2659 33.4650 177.1885 23 L 4.0345 8.0789 119.9334 57.9161 41.4535 179.8694 24 G 3.5275 8.0121 105.1296 47.7772 0.0000 175.5792 25 A 4.0498 7.7751 122.9659 54.8270 18.3524 179.7927 26 V 3.4749 8.1035 117.1900 66.1154 31.3846 178.0263 27 N 4.2827 8.1262 115.4812 56.2154 38.4977 177.2139 28 K 4.0918 8.0486 119.5856 59.4566 31.9383 179.3233 29 A 4.0120 7.6485 119.8729 54.8494 18.5275 179.0384 30 L 4.0790 8.0918 116.3593 55.7025 41.7985 179.0730 31 V 3.5598 7.4309 120.4751 65.5200 31.3517 176.1460 32 P 4.4716 0.0000 0.0000 64.6172 31.4039 176.8705 33 T 4.0529 8.0604 108.9699 61.9672 69.1656 176.0890 34 G 3.9151 8.0039 110.0081 45.6186 0.0000 173.5618 35 L 4.5413 7.5729 119.1996 53.7450 43.3631 175.8202 36 R 4.7912 8.3177 118.5295 53.4765 34.7996 176.9696 37 V 3.6696 8.7647 118.6852 66.7390 31.3195 178.2217 38 R 3.9703 7.9829 117.2063 59.3186 30.0430 179.1114 39 S 4.1770 8.0508 113.6687 61.4821 62.7955 175.5865 40 Y 4.1208 8.5292 123.6169 60.5967 38.5328 178.3343 41 S 3.9720 8.5032 116.3227 61.6096 62.9877 176.8542 42 V 3.5608 7.8152 120.8614 65.8100 31.1997 177.8218 43 L 3.8809 7.8484 120.1006 57.9902 42.0602 178.9849 44 V 3.3668 7.7224 118.5542 66.0215 31.1657 177.9289 45 L 3.9436 7.6684 116.9730 57.8436 41.2735 179.1255 46 A 4.1114 8.0353 120.6098 55.3147 18.0772 179.3430 47 C 3.8625 7.8015 114.0773 62.2985 28.2977 175.5625 48 E 4.0443 7.7691 119.5490 57.6459 28.9387 177.1941 49 Q 4.6605 7.1457 116.5244 53.5557 31.8166 176.4883 50 A 4.0687 8.6638 124.7545 55.4568 18.8871 179.0196 51 E 4.0322 8.3003 114.1919 60.5471 29.9870 177.0753 52 G 3.7477 5.6008 100.4566 44.7037 0.0000 172.6609 53 V 4.4761 8.0667 112.9580 58.5869 36.0195 173.9321 54 N 4.8123 8.6164 121.8001 53.6009 40.6548 175.9699 55 Q 3.9696 8.9257 127.9534 59.1016 29.2815 178.8533 56 R 4.0132 8.8036 119.8930 59.4064 30.1897 179.2924 57 G 3.6878 8.0962 104.7110 47.5059 0.0000 175.7181 58 V 3.5559 7.3621 119.7097 65.8917 31.8434 177.4272 59 A 4.1262 7.7335 120.2520 55.2511 17.9803 179.3619 60 A 3.9775 7.5817 117.1361 55.5989 18.5142 181.0483 61 T 4.0729 7.7044 110.2348 63.9629 68.4784 175.0992 *63 G 3.8040 7.9689 107.9081 45.5554 0.0000 173.2197 64 L 4.8516 7.8459 118.1547 52.0714 45.2289 176.6380 65 D 4.6069 8.6881 120.5529 53.3467 41.6991 176.0870 66 P 4.2691 0.0000 0.0000 66.3392 30.9943 178.8832 67 S 4.1681 8.0843 113.2512 61.2353 62.7889 176.3508 68 Q 4.0352 8.0210 121.7061 58.6494 28.4705 178.3559 69 I 3.7718 7.5997 120.5014 64.1324 37.1285 178.4721 70 V 3.6744 7.9798 119.4628 65.9576 31.5141 178.3933 71 G 3.6603 7.7026 104.9527 47.6515 0.0000 175.7727 72 L 4.0134 7.8003 120.8672 57.6614 41.7120 179.7777 73 V 3.6037 8.1043 118.5136 65.9386 31.4161 177.5871 74 D 4.3670 8.5246 119.1822 57.4091 40.4131 178.4160 75 E 3.9237 8.0335 119.1393 59.3624 29.6372 178.9801 76 L 4.0446 7.8328 118.7175 57.7785 41.6673 178.9603 77 E 4.2798 8.5988 120.9603 58.8511 29.3284 178.5781 78 E 3.9460 8.2095 118.0081 58.8085 29.7672 178.0291 79 R 4.3517 7.4448 114.4514 55.5157 30.4471 176.6675 80 G 3.8987 7.9617 107.0019 46.5717 0.0000 174.7852 81 L 4.4602 8.0491 121.8715 55.6204 43.3089 177.0403 82 V 4.9791 7.6408 110.1029 59.4662 36.7529 174.5277 83 V 4.4432 9.0439 121.7919 61.1848 34.3399 174.1539 84 R 5.0487 8.5711 127.5981 55.5028 31.5682 174.8043 85 T 4.7740 8.9525 119.6857 60.7040 71.9284 171.6875 86 L 4.8804 8.2665 123.2486 52.8226 43.8857 176.2529 87 D 4.3623 8.8109 123.6514 53.2496 41.8889 174.5067 88 P 4.8758 0.0000 0.0000 62.7205 27.5219 176.8060 *91 R 4.9145 7.8196 117.1706 55.4186 32.2319 177.5956 92 R 4.0309 7.9809 117.9422 58.3018 30.6493 175.5395 93 N 4.8424 7.5974 114.1632 51.9453 40.2781 174.2300 94 K 4.8863 8.6060 123.4481 55.1641 34.2794 175.3817 95 L 5.0205 9.1932 125.2841 53.2314 44.3194 175.4640 96 I 4.7391 8.9568 124.0954 59.4799 39.8332 174.4049 97 A 5.0408 8.7520 128.6384 49.5496 21.8340 175.1096 98 A 4.5394 8.7560 124.9252 52.3640 19.4139 177.3563 99 T 4.2855 8.5531 112.2747 60.3724 71.1646 175.5280 100 E 3.9009 8.8049 121.2341 59.5171 29.4387 178.4749 101 E 4.0708 8.1883 118.3143 59.1832 29.5455 179.2233 102 G 3.6643 8.0446 105.7855 48.0744 0.0000 175.9706 103 R 3.9440 8.3003 121.0763 58.7031 30.1102 179.2342 104 R 3.8671 7.9859 118.6618 59.3170 30.1498 178.3848 105 L 3.9773 8.0713 120.2171 58.0888 42.0162 178.6763 106 R 4.0433 8.3649 119.0739 59.6614 29.8061 178.2310 107 D 4.3612 8.1235 118.5021 57.3415 40.7288 178.1940 108 D 4.3162 8.0490 117.9700 57.4099 41.2026 178.0944 109 A 3.9428 8.5906 121.5756 55.0448 18.3190 179.3655 110 K 4.0061 8.8540 119.5649 59.0772 32.2313 178.8495 111 A 4.0171 7.8204 121.0897 55.2560 18.3180 179.8978 112 R 3.8478 7.7868 116.5357 59.1639 30.0384 179.4800 113 V 3.3790 7.9307 118.4190 66.0749 31.5288 177.8128 114 D 4.3379 8.4404 118.8253 57.3813 40.5660 178.7530 115 A 4.0150 8.0675 121.0923 54.8328 18.3373 179.5356 116 A 3.9390 8.0663 119.3405 55.7232 18.4262 179.4271 117 H 4.4243 8.4207 115.0006 59.1016 28.5596 178.1463 118 G 3.7685 8.3621 107.3419 48.0839 0.0000 175.8675 119 R 3.9539 8.0092 119.7103 59.1292 30.1627 178.3435 120 Y 3.6528 8.0237 118.2143 59.5143 38.9771 176.6970 121 F 4.8998 8.2571 117.4289 55.8754 39.3925 174.8680 122 E 4.1561 7.2659 120.3357 58.1481 29.6669 176.7589 123 G 4.0575 9.2058 114.0928 45.1613 0.0000 173.1930 124 I 4.3362 7.3677 120.4363 59.0498 38.4819 174.5572 125 P 4.3551 0.0000 0.0000 62.7630 33.0038 176.9376 126 D 4.3846 8.8280 121.7486 58.0449 40.8057 179.5721 127 T 3.8873 7.8362 109.5032 64.6281 68.5176 176.7020 128 V 3.5277 7.4882 119.9531 65.7464 31.7924 177.6616 129 V 3.5075 7.4300 116.8094 66.0848 31.5492 177.4173 130 N 4.4593 8.4524 116.6050 56.0049 38.2572 177.4666 131 Q 4.2854 7.9314 120.5529 56.0841 29.1491 178.0642 *133 R 4.1735 7.9674 118.8575 56.0620 32.1365 176.7703 134 D 4.3837 8.2585 117.6349 57.7684 40.4024 178.9863 135 T 3.8453 8.1410 116.2229 66.8699 68.4574 176.6886 136 L 3.9845 7.8732 120.1648 57.9003 41.6151 179.4342 137 Q 4.2801 8.5749 118.7069 58.9417 28.4260 178.8916 138 S 4.1755 8.0790 114.2109 60.5167 63.0061 175.9051 139 I 4.0972 6.8668 122.1890 63.5305 37.8115 177.6125 140 A 4.0407 8.1684 120.0781 53.4521 18.5456 177.7388 141 F 4.7629 8.2576 116.3311 54.8970 39.5125 173.6070 142 P 4.5118 0.0000 0.0000 64.5478 31.4864 177.1054 143 T 3.8642 6.7036 107.5026 60.6947 70.7603 174.1671 144 F 5.0937 7.7897 119.9309 54.7468 43.3058 175.6071 145 V 3.5784 8.3821 120.6056 63.1017 31.3021 175.7653 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 4 S 8.33 4.38 0.00 3.85 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 5 Q 8.53 4.17 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.75 0.00 0.00 0.00 0.00 0.00 2.29 2.35 0.00 6 A 8.07 4.31 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 L 8.47 3.81 0.00 1.47 1.31 0.65 0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.90 4.35 0.00 4.09 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 9 D 7.74 4.58 0.00 2.86 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 10 D 8.22 4.45 0.00 2.73 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 11 I 8.53 3.80 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.08 0.93 0.00 0.00 12 G 8.21 3.62 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 0.00 0.00 0.00 13 F 8.79 4.18 0.00 3.16 3.30 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 14 L 8.29 3.75 0.00 1.89 1.70 1.01 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.95 3.94 0.00 1.83 1.69 0.95 0.73 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 16 S 7.98 4.03 0.00 3.88 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 17 R 7.55 3.62 0.00 0.95 1.64 0.00 3.18 0.00 0.00 2.92 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 18 V 7.70 3.74 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 0.87 0.00 0.00 0.97 0.00 0.00 19 G 8.31 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 0.00 0.00 0.00 20 G 7.93 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *22 V 7.78 3.33 1.90 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 1.00 0.00 0.00 0.54 0.00 0.00 23 L 8.08 4.03 0.00 1.85 1.68 0.89 1.07 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 24 G 8.01 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 25 A 7.78 4.05 1.31 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 0.00 0.00 0.00 26 V 8.10 3.47 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 0.95 0.00 0.00 0.92 0.00 0.00 27 N 8.13 4.28 0.00 2.70 2.85 0.00 0.00 7.10 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 K 8.05 4.09 0.00 1.99 1.85 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.56 7.81 29 A 7.65 4.01 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 30 L 8.09 4.08 0.00 1.82 1.81 0.74 0.74 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 31 V 7.43 3.56 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 0.97 0.00 0.00 1.00 0.00 0.00 32 P 0.00 4.47 0.00 2.21 2.15 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 33 T 8.06 4.05 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 34 G 8.00 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 35 L 7.57 4.54 0.00 1.71 1.69 1.08 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 36 R 8.32 4.79 0.00 1.83 1.93 0.00 3.15 0.00 0.00 3.10 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 37 V 8.76 3.67 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 1.19 0.00 0.00 0.99 0.00 0.00 38 R 7.98 3.97 0.00 1.92 1.98 0.00 3.19 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.71 0.00 39 S 8.05 4.18 0.00 4.08 4.15 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 40 Y 8.53 4.12 0.00 3.04 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 41 S 8.50 3.97 0.00 4.09 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 42 V 7.82 3.56 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 0.98 0.00 0.00 0.97 0.00 0.00 43 L 7.85 3.88 0.00 1.87 1.72 0.90 0.73 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 44 V 7.72 3.37 1.93 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 0.86 0.00 0.00 0.05 0.00 0.00 45 L 7.67 3.94 0.00 1.79 1.70 0.93 0.71 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 46 A 8.04 4.11 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 47 C 7.80 3.86 0.00 3.07 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 48 E 7.77 4.04 0.00 2.11 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 2.31 2.61 0.00 49 Q 7.15 4.66 0.00 2.05 1.94 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 2.24 2.39 0.00 50 A 8.66 4.07 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 51 E 8.30 4.03 0.00 1.96 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 2.31 2.30 0.00 52 G 5.60 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 V 8.07 4.48 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 0.66 0.00 0.00 1.00 0.00 0.00 54 N 8.62 4.81 0.00 2.75 2.68 0.00 0.00 6.81 6.77 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 55 Q 8.93 3.97 0.00 2.33 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.56 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 56 R 8.80 4.01 0.00 2.00 1.97 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 57 G 8.10 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 V 7.36 3.56 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 0.84 0.00 0.00 1.02 0.00 0.00 59 A 7.73 4.13 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 60 A 7.58 3.98 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 61 T 7.70 4.07 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 1.32 0.00 0.00 *63 G 7.97 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 64 L 7.85 4.85 0.00 1.59 1.55 0.93 1.27 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 65 D 8.69 4.61 0.00 2.89 2.58 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 0.00 0.00 0.00 66 P 0.00 4.27 0.00 2.26 2.32 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.03 0.00 67 S 8.08 4.17 0.00 4.07 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Q 8.02 4.04 0.00 2.33 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 69 I 7.60 3.77 2.00 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 1.71 1.07 0.91 0.00 0.00 70 V 7.98 3.67 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 1.06 0.00 0.00 0.96 0.00 0.00 71 G 7.70 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 72 L 7.80 4.01 0.00 1.88 1.73 0.93 1.01 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 73 V 8.10 3.60 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 0.91 0.00 0.00 0.98 0.00 0.00 74 D 8.52 4.37 0.00 2.90 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 75 E 8.03 3.92 0.00 2.08 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 0.00 2.32 2.37 0.00 76 L 7.83 4.04 0.00 1.90 1.70 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 77 E 8.60 4.28 0.00 2.05 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 2.31 2.18 0.00 78 E 8.21 3.95 0.00 2.10 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 2.33 2.35 0.00 79 R 7.44 4.35 0.00 2.01 1.96 0.00 3.31 0.00 0.00 3.24 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.82 0.00 80 G 7.96 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 81 L 8.05 4.46 0.00 1.63 1.72 0.94 0.75 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 82 V 7.64 4.98 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 0.75 0.00 0.00 0.93 0.00 0.00 83 V 9.04 4.44 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 0.94 0.00 0.00 0.93 0.00 0.00 84 R 8.57 5.05 0.00 1.85 1.80 0.00 3.23 0.00 0.00 3.15 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 85 T 8.95 4.77 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 86 L 8.27 4.88 0.00 1.55 1.56 0.92 1.05 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 87 D 8.81 4.36 0.00 2.82 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 88 P 0.00 4.88 0.00 2.08 2.00 0.00 3.76 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.10 0.00 *91 R 7.82 4.91 0.00 1.90 2.00 0.00 3.40 0.00 0.00 3.22 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 92 R 7.98 4.03 0.00 1.77 1.96 0.00 3.22 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 93 N 7.60 4.84 0.00 2.65 2.72 0.00 0.00 6.77 7.46 0.00 0.00 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 K 8.61 4.89 0.00 1.70 1.72 0.00 1.64 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.46 7.81 95 L 9.19 5.02 0.00 1.54 1.56 0.92 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 96 I 8.96 4.74 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 1.16 0.84 0.90 0.00 0.00 97 A 8.75 5.04 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 98 A 8.76 4.54 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 T 8.55 4.29 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 1.25 0.00 0.00 100 E 8.80 3.90 0.00 2.10 1.99 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 2.38 2.47 0.00 101 E 8.19 4.07 0.00 2.23 1.98 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 2.40 2.44 0.00 102 G 8.04 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 0.00 103 R 8.30 3.94 0.00 1.98 1.99 0.00 3.13 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.83 0.00 104 R 7.99 3.87 0.00 2.11 2.02 0.00 3.10 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 105 L 8.07 3.98 0.00 1.83 1.81 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 106 R 8.36 4.04 0.00 2.03 2.08 0.00 3.08 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.58 0.00 107 D 8.12 4.36 0.00 2.98 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 0.00 108 D 8.05 4.32 0.00 2.84 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 0.00 109 A 8.59 3.94 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.85 4.01 0.00 2.12 2.13 0.00 1.79 0.00 0.00 1.93 0.00 0.00 3.13 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.42 7.81 111 A 7.82 4.02 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 0.00 112 R 7.79 3.85 0.00 1.85 1.92 0.00 3.09 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.83 0.00 113 V 7.93 3.38 2.03 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 0.90 0.00 0.00 0.31 0.00 0.00 114 D 8.44 4.34 0.00 2.79 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 0.00 115 A 8.07 4.01 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 0.00 116 A 8.07 3.94 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 0.00 117 H 8.42 4.42 0.00 3.49 3.65 0.00 5.65 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 0.00 118 G 8.36 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 0.00 119 R 8.01 3.95 0.00 1.96 1.98 0.00 3.15 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 120 Y 8.02 3.65 0.00 2.99 2.41 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 0.00 121 F 8.26 4.90 0.00 3.32 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 0.00 122 E 7.27 4.16 0.00 1.90 1.99 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 2.31 2.32 0.00 123 G 9.21 4.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 I 7.37 4.34 2.14 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 1.38 0.75 0.95 0.00 0.00 125 P 0.00 4.36 0.00 2.15 1.98 0.00 3.63 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 126 D 8.83 4.38 0.00 2.71 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 0.00 127 T 7.84 3.89 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 128 V 7.49 3.53 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 0.85 0.00 0.00 0.93 0.00 0.00 129 V 7.43 3.51 2.04 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 0.39 0.00 0.00 0.75 0.00 0.00 130 N 8.45 4.46 0.00 2.84 2.82 0.00 0.00 6.69 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 0.00 131 Q 7.93 4.29 0.00 2.12 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.39 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 *133 R 7.97 4.17 0.00 1.84 2.10 0.00 3.21 0.00 0.00 3.31 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 134 D 8.26 4.38 0.00 2.89 2.71 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 0.00 135 T 8.14 3.85 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 0.00 136 L 7.87 3.98 0.00 1.71 1.74 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 137 Q 8.57 4.28 0.00 2.35 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.81 0.00 0.00 0.00 0.00 0.00 2.48 2.58 0.00 138 S 8.08 4.18 0.00 4.04 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 I 6.87 4.10 1.98 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 1.44 0.73 0.88 0.00 0.00 140 A 8.17 4.04 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 8.26 4.76 0.00 3.25 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 0.00 142 P 0.00 4.51 0.00 2.12 2.15 0.00 3.68 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 1.94 1.90 0.00 143 T 6.70 3.86 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 1.06 0.00 0.00 144 F 7.79 5.09 0.00 3.05 2.89 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 0.00 145 V 8.38 3.58 1.99 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 0.55 0.00 0.00 0.57 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.