NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 F 4.5812 8.3093 119.4979 57.6444 39.3670 174.1276 5 E 4.4504 8.0633 123.4192 52.5816 32.2756 173.9552 6 K 4.6780 9.1090 118.4176 55.3910 36.2472 176.1424 7 K 4.6794 7.9841 116.8211 53.9354 35.9139 174.8979 8 P 4.2723 0.0000 0.0000 62.1767 32.0181 175.5397 9 D 4.5152 8.1214 121.0862 53.7864 42.1257 176.6280 10 F 4.8983 8.4898 123.0247 57.6179 39.5293 177.8285 11 T 3.9184 7.8463 116.2470 66.6679 68.3393 175.8155 12 L 4.2943 8.0901 122.7884 57.6688 42.1208 178.2845 13 F 4.2606 8.3681 121.1667 60.9433 39.1198 177.1849 14 L 3.7625 8.5786 118.5338 57.6359 41.2396 179.2979 15 Q 4.0825 8.6418 120.1371 58.3517 28.0952 179.0051 16 T 3.9183 7.6212 110.3049 63.8981 69.1921 176.7293 17 L 3.6864 7.8237 123.6910 57.8738 41.9772 179.2082 18 S 2.7900 7.5478 114.3517 60.6452 62.3824 176.2509 19 W 3.8398 7.4257 131.2172 59.8501 30.7460 177.3863 20 E 4.1179 8.3153 119.3779 59.3531 29.1045 178.5776 21 I 3.7105 8.3533 120.2747 64.8460 35.9725 178.1847 22 D 4.4045 8.5718 119.6072 57.2021 40.2923 178.5167 23 D 4.5043 7.7053 118.0517 56.8904 41.3780 177.5774 24 Q 4.3182 7.8725 116.5244 57.0973 29.4493 176.7931 25 V 4.1781 8.3386 110.6538 60.2037 34.0395 175.9396 26 G 3.9009 7.6284 105.6939 44.8730 0.0000 174.3263 27 I 3.8502 8.0903 118.0605 64.2532 37.3565 178.2126 28 E 3.9450 8.0872 119.5079 59.2094 29.3804 178.7747 29 V 3.7172 7.6365 117.6831 65.1624 31.7743 177.8639 30 R 3.8030 7.6682 118.6663 59.4213 29.9171 178.1158 31 N 4.1103 8.3388 116.6398 56.3211 38.5479 176.8203 32 E 3.8401 7.9771 120.4037 59.1716 29.6542 178.5862 33 L 3.8309 7.6337 119.7032 58.2504 42.1857 178.6225 34 L 3.8076 7.7518 118.8075 58.0268 41.4436 179.9017 35 R 4.0007 8.0532 117.6729 59.4724 29.9860 178.9497 36 E 3.8800 8.0705 118.2379 59.3648 29.3674 179.7222 37 V 3.6454 7.7520 118.5041 65.7141 31.6257 178.3961 38 G 3.4125 8.1431 105.6923 47.6986 0.0000 175.6696 39 R 3.9987 7.9935 120.5784 58.8815 30.2510 178.7004 40 G 3.6205 8.1128 105.8128 47.9467 0.0000 175.2879 41 M 3.9458 8.2513 122.3230 58.3131 31.7979 179.1770 42 G 3.7375 7.6488 104.0128 47.4700 0.0000 174.6410 43 T 4.3511 7.8781 109.7888 62.2516 69.2603 175.2659 44 R 4.4421 8.3752 121.2682 56.8635 31.8428 176.5880 45 I 4.7332 7.4556 109.1217 59.1913 40.3288 174.2821 46 M 4.6612 8.1018 118.4665 53.4270 33.5669 172.6127 47 P 4.3124 0.0000 0.0000 61.3767 32.4362 174.0532 48 P 4.3911 0.0000 0.0000 61.1117 32.0032 174.0412 49 P 4.3444 0.0000 0.0000 63.5907 30.7073 175.6536 50 C 4.5771 10.4118 122.2200 58.8118 29.3460 173.9298 51 Q 4.3785 8.6723 120.2536 57.2293 29.7656 175.9197 52 T 4.7444 7.4147 107.3617 58.9541 73.0896 175.1143 53 V 3.6601 8.2644 119.6605 66.1438 31.6523 176.8760 54 D 4.4165 8.2335 117.3910 57.7726 40.9367 178.7280 55 K 3.9452 7.8848 118.5443 59.3820 32.0374 179.0731 56 L 3.9136 7.9287 120.5552 58.0582 41.9760 178.5662 57 Q 3.9516 8.7032 119.7789 59.4640 28.9190 178.4603 58 I 3.6886 7.6318 120.4298 64.6714 37.1969 178.2823 59 E 3.8588 8.2232 119.1227 59.3390 29.2278 179.5292 60 L 3.4763 8.1944 119.4507 57.6058 41.6345 179.1637 61 N 4.4166 8.3026 116.2694 56.2136 38.5035 177.1853 62 A 3.9770 8.1498 122.2684 55.2039 18.0944 179.7214 63 L 3.8597 7.6240 117.3657 57.9398 41.6322 179.8077 64 L 4.0372 8.4473 119.1332 57.7037 41.6622 179.4442 65 A 4.0764 8.5042 121.3993 54.9606 18.0735 179.1742 66 L 3.9262 7.6456 118.3395 57.5724 42.1556 177.7357 67 I 4.4065 7.2125 108.1293 59.7066 37.8892 175.3115 68 G 4.0510 7.9197 107.9676 47.1805 0.0000 174.5597 69 W 4.6648 8.4709 117.4208 56.0130 29.7023 175.6733 70 G 3.9766 8.0026 104.0085 44.1558 0.0000 173.0423 71 T 5.1107 8.1917 109.0051 60.2145 72.8356 173.4641 72 V 5.1306 9.0809 121.2310 60.4927 34.7302 174.3009 73 T 4.8804 8.9270 113.0249 59.9487 72.0052 172.7312 74 L 5.1814 10.0926 123.4593 52.9973 44.9667 175.6973 75 E 4.5871 9.1774 124.3484 54.3019 32.7914 173.8264 76 L 4.8009 8.7303 129.4091 54.3283 43.3291 175.3371 77 L 4.5824 8.8477 126.6590 53.1625 43.6844 177.1194 78 S 4.1552 9.0929 120.3322 62.0255 63.3454 176.3347 79 E 3.9549 8.3025 118.9503 59.2752 28.1431 178.0405 80 D 4.7678 7.9363 114.5760 53.0741 42.1400 176.0212 81 Q 3.6938 7.7292 117.8384 55.9681 28.3087 173.0357 82 S 4.5975 7.3100 108.7616 57.0155 64.8611 172.9145 83 L 4.9533 8.5849 126.2155 53.7698 43.8175 174.8897 84 R 4.5718 9.2446 127.2653 54.5195 32.5598 174.3135 85 I 4.5656 8.3598 127.7273 59.4423 39.7436 174.7352 86 V 4.5160 8.3943 127.5804 61.4317 33.9713 173.5314 87 H 5.1961 9.3315 129.7189 54.7587 31.3678 173.8730 88 E 4.6518 9.4884 126.0814 55.1208 31.5559 175.6416 89 N 4.3481 8.5394 116.8154 53.9436 36.1038 175.2105 90 L 3.8883 8.0966 118.5129 54.4538 43.0296 174.7019 91 P 3.9906 0.0000 0.0000 63.1598 31.5988 175.4706 92 Q 4.5038 8.3560 123.6645 54.9946 30.4439 176.2403 93 V 4.2881 7.9236 117.0725 59.3382 32.2459 175.8980 94 G 3.8324 7.8644 111.3204 44.8521 0.0000 171.7645 95 S 4.6694 8.6058 112.7298 57.9434 63.8252 174.2077 96 A 4.0017 7.6665 124.8555 53.1374 18.7643 176.7936 97 G 4.0883 8.8343 105.9131 44.7957 0.0000 173.2150 98 E 4.4821 8.2798 117.6640 53.4970 31.0531 174.6562 99 P 4.5664 0.0000 0.0000 61.5889 32.5599 176.1066 100 S 4.2579 8.3609 114.9223 59.8850 62.4658 174.5819 101 G 4.4425 8.7643 112.9841 45.7448 0.0000 174.5980 102 T 4.6969 7.9204 113.7307 62.3288 70.4756 175.1055 103 W 4.3644 8.6247 133.1826 60.7176 30.6917 177.0551 104 L 4.0649 8.1442 116.4117 56.4024 41.9604 178.6449 105 A 3.9375 8.5302 122.0737 55.0052 18.1835 177.9701 106 P 4.3777 0.0000 0.0000 64.9123 31.3729 178.8614 107 V 3.7189 8.0666 118.3336 66.0811 31.3720 177.9703 108 L 3.9892 7.9913 118.6582 57.4820 41.3264 179.2659 109 E 4.0693 8.0916 118.3146 59.3455 29.6573 179.2150 110 G 3.5791 8.0836 105.6921 47.9173 0.0000 174.9190 111 L 3.3990 8.0140 123.5636 58.0263 42.0312 178.7418 112 Y 4.3354 8.3606 116.7516 60.7283 37.2849 178.7527 113 G 3.8175 8.3161 107.2397 48.0016 0.0000 175.4707 114 R 4.0780 7.6147 120.6239 58.4576 30.1160 178.3477 115 W 4.4863 8.2366 118.0249 59.6817 29.0730 177.9999 116 V 3.8838 7.7302 116.9398 65.0757 31.5616 177.2975 117 T 4.1159 7.7347 108.2636 64.3047 68.9601 176.3198 118 S 4.2744 7.8081 113.9500 59.4014 62.7930 173.9778 119 Q 4.3144 7.8155 122.4124 54.7521 29.8121 175.0004 120 A 4.0383 8.4845 124.5261 53.7296 19.5851 177.5140 121 G 3.7590 8.8003 109.1791 44.4078 0.0000 174.2266 122 A 4.1662 8.3512 121.8216 53.2403 19.1858 179.3730 123 F 4.0128 8.5071 115.8053 61.6279 39.2057 179.0710 124 G 3.8900 7.4553 106.4197 48.5083 0.0000 174.4400 125 D 4.6180 7.4406 116.8785 53.9140 41.3613 175.5781 126 Y 4.7157 7.5717 115.8687 58.9610 38.9883 174.8148 127 V 4.6150 8.3586 119.0928 61.5083 36.1434 174.3054 128 V 4.8575 8.4358 116.3594 60.1549 33.1659 175.3452 129 T 4.6182 8.5573 123.0111 61.8341 70.9251 173.9752 130 R 4.8121 8.3875 125.6141 55.0171 31.2591 175.4908 131 D 4.6948 8.9287 126.9584 54.7618 41.8035 176.5399 132 V 4.4240 8.2509 119.7824 63.1831 34.2712 174.5494 133 D 4.2290 7.6481 118.3838 55.9922 40.8481 176.1599 134 A 4.1711 6.9231 134.4022 51.5699 19.3494 178.4002 *138 N 4.5129 8.3463 122.3407 53.5124 38.2626 174.6123 139 A 4.2750 7.7888 121.8338 54.4170 19.9559 178.6628 140 V 4.4875 7.3504 107.1739 58.5598 35.2002 173.8414 141 P 4.3778 0.0000 0.0000 62.5424 31.9494 177.0629 142 R 3.8312 8.7133 120.6492 59.6889 30.0048 177.3161 143 Q 4.4416 8.0261 113.9576 55.9983 28.9841 174.2492 144 T 4.9489 7.8480 116.3210 62.4611 69.7869 174.2511 145 I 4.5398 8.6390 127.2889 59.4793 40.2260 174.5343 146 I 4.8594 8.2926 126.8155 59.8453 39.7387 174.5292 147 M 5.2121 9.1864 125.7994 53.6760 36.7915 173.8242 148 Y 5.0204 9.4106 118.8342 56.3781 41.7981 174.5036 149 M 5.6200 9.3143 123.5454 53.2053 34.0784 175.7056 150 R 4.3756 8.6504 120.6965 55.3452 31.6396 175.5577 151 V 4.1551 7.7235 123.8342 63.3021 31.7715 174.0493 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 F 8.31 4.58 0.00 2.98 3.15 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 5 E 8.06 4.45 0.00 2.16 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 2.19 2.36 0.00 6 K 9.11 4.68 0.00 1.85 1.84 0.00 1.49 0.00 0.00 1.69 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.30 1.41 7.81 7 K 7.98 4.68 0.00 1.72 1.70 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.38 1.46 7.81 8 P 0.00 4.27 0.00 1.38 1.70 0.00 3.64 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 9 D 8.12 4.52 0.00 2.55 2.45 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 10 F 8.49 4.90 0.00 3.27 3.27 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 11 T 7.85 3.92 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 1.23 0.00 0.00 12 L 8.09 4.29 0.00 1.72 1.72 0.91 1.01 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 13 F 8.37 4.26 0.00 3.26 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 8.58 3.76 0.00 2.09 1.65 1.03 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 15 Q 8.64 4.08 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.45 2.37 0.00 16 T 7.62 3.92 4.13 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 0.00 0.00 1.07 0.00 0.00 17 L 7.82 3.69 0.00 0.89 1.12 0.85 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 18 S 7.55 2.79 0.00 2.72 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 19 W 7.43 3.84 0.00 3.44 3.13 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 0.00 0.00 0.00 20 E 8.32 4.12 0.00 2.33 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 2.31 2.41 0.00 21 I 8.35 3.71 2.19 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 1.64 0.51 1.14 0.00 0.00 22 D 8.57 4.40 0.00 2.61 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 23 D 7.71 4.50 0.00 2.89 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 24 Q 7.87 4.32 0.00 2.08 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.63 0.00 0.00 0.00 0.00 0.00 2.33 2.45 0.00 25 V 8.34 4.18 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.03 0.00 0.00 26 G 7.63 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 27 I 8.09 3.85 1.85 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.49 0.94 0.00 0.00 28 E 8.09 3.94 0.00 2.05 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 0.00 2.36 2.41 0.00 29 V 7.64 3.72 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 0.98 0.00 0.00 0.92 0.00 0.00 30 R 7.67 3.80 0.00 2.03 2.12 0.00 3.06 0.00 0.00 3.65 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 1.66 0.00 31 N 8.34 4.11 0.00 2.81 2.77 0.00 0.00 6.72 7.23 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 32 E 7.98 3.84 0.00 2.07 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 0.00 2.28 2.34 0.00 33 L 7.63 3.83 0.00 1.75 1.83 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 34 L 7.75 3.81 0.00 1.81 1.49 0.43 -0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 35 R 8.05 4.00 0.00 2.00 1.92 0.00 3.27 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.70 0.00 36 E 8.07 3.88 0.00 2.17 1.96 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 2.29 2.44 0.00 37 V 7.75 3.65 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 0.95 0.00 0.00 0.96 0.00 0.00 38 G 8.14 3.41 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 0.00 39 R 7.99 4.00 0.00 1.81 2.03 0.00 3.23 0.00 0.00 3.18 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 40 G 8.11 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 41 M 8.25 3.95 0.00 1.67 1.98 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 42 G 7.65 3.74 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 0.00 0.00 0.00 0.00 0.00 0.00 43 T 7.88 4.35 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 44 R 8.38 4.44 0.00 1.84 1.97 0.00 3.24 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.62 0.00 45 I 7.46 4.73 1.93 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.07 0.92 0.00 0.00 46 M 8.10 4.66 0.00 2.39 2.06 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 47 P 0.00 4.31 0.00 2.05 1.75 0.00 3.65 0.00 0.00 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.68 0.00 48 P 0.00 4.39 0.00 2.18 2.07 0.00 3.67 0.00 0.00 3.61 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 49 P 0.00 4.34 0.00 2.21 2.18 0.00 3.74 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 50 C 10.41 4.58 0.00 3.17 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 51 Q 8.67 4.38 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.79 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 52 T 7.41 4.74 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 1.23 0.00 0.00 53 V 8.26 3.66 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 1.21 0.00 0.00 54 D 8.23 4.42 0.00 2.84 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 55 K 7.88 3.95 0.00 1.95 1.85 0.00 1.75 0.00 0.00 1.59 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.46 7.81 56 L 7.93 3.91 0.00 1.81 1.87 0.85 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 57 Q 8.70 3.95 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.54 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 58 I 7.63 3.69 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 1.52 0.42 0.89 0.00 0.00 59 E 8.22 3.86 0.00 1.98 1.83 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 2.49 2.43 0.00 60 L 8.19 3.48 0.00 1.94 1.80 0.51 0.74 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 61 N 8.30 4.42 0.00 2.87 2.88 0.00 0.00 6.91 7.33 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 62 A 8.15 3.98 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 63 L 7.62 3.86 0.00 1.35 1.42 0.75 -0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 64 L 8.45 4.04 0.00 1.91 1.98 1.34 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 65 A 8.50 4.08 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 66 L 7.65 3.93 0.00 1.79 1.94 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.21 4.41 1.81 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.84 0.00 0.00 68 G 7.92 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 69 W 8.47 4.66 0.00 3.33 3.43 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 70 G 8.00 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 71 T 8.19 5.11 4.33 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 1.24 0.00 0.00 72 V 9.08 5.13 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 0.95 0.00 0.00 0.86 0.00 0.00 73 T 8.93 4.88 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 1.20 0.00 0.00 74 L 10.09 5.18 0.00 1.51 1.57 0.82 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 75 E 9.18 4.59 0.00 1.96 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.23 0.00 76 L 8.73 4.80 0.00 1.78 1.61 1.09 1.07 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 77 L 8.85 4.58 0.00 1.92 1.57 0.96 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 78 S 9.09 4.16 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 79 E 8.30 3.95 0.00 1.93 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 0.00 2.32 2.42 0.00 80 D 7.94 4.77 0.00 2.63 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 81 Q 7.73 3.69 0.00 2.16 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.47 0.00 82 S 7.31 4.60 0.00 3.90 3.76 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 0.00 0.00 0.00 0.00 83 L 8.58 4.95 0.00 1.76 1.52 1.02 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 84 R 9.24 4.57 0.00 1.86 1.67 0.00 3.21 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.73 0.00 85 I 8.36 4.57 1.53 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.46 0.16 0.00 0.00 86 V 8.39 4.52 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 1.00 0.00 0.00 0.83 0.00 0.00 87 H 9.33 5.20 0.00 3.35 3.33 0.00 5.82 0.00 0.00 0.00 0.00 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 E 9.49 4.65 0.00 1.92 1.84 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 2.28 2.28 0.00 89 N 8.54 4.35 0.00 2.85 2.84 0.00 0.00 6.88 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 90 L 8.10 3.89 0.00 1.56 1.65 0.73 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 91 P 0.00 3.99 0.00 1.52 1.69 0.00 2.92 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 1.40 0.00 92 Q 8.36 4.50 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 7.31 0.00 0.00 0.00 0.00 0.00 2.32 2.48 0.00 93 V 7.92 4.29 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 0.93 0.00 0.00 0.97 0.00 0.00 94 G 7.86 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 0.00 0.00 0.00 95 S 8.61 4.67 0.00 4.08 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 96 A 7.67 4.00 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 97 G 8.83 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 0.00 0.00 0.00 98 E 8.28 4.48 0.00 1.89 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 2.18 2.30 0.00 99 P 0.00 4.57 0.00 2.19 2.09 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 100 S 8.36 4.26 0.00 3.91 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 0.00 101 G 8.76 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 T 7.92 4.70 4.65 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 1.25 0.00 0.00 103 W 8.62 4.36 0.00 3.34 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 0.00 104 L 8.14 4.06 0.00 1.72 1.53 1.27 0.86 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 0.00 105 A 8.53 3.94 1.30 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 0.00 0.00 106 P 0.00 4.38 0.00 2.02 2.01 0.00 3.53 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 2.05 0.00 107 V 8.07 3.72 2.40 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 0.98 0.00 0.00 0.94 0.00 0.00 108 L 7.99 3.99 0.00 2.13 1.85 1.06 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 109 E 8.09 4.07 0.00 2.14 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 2.41 2.37 0.00 110 G 8.08 3.58 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 0.00 0.00 0.00 111 L 8.01 3.40 0.00 1.24 1.12 -0.60 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 112 Y 8.36 4.34 0.00 3.06 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 0.00 113 G 8.32 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 0.00 0.00 0.00 114 R 7.61 4.08 0.00 1.91 1.90 0.00 3.17 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.76 0.00 115 W 8.24 4.49 0.00 3.39 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 0.00 116 V 7.73 3.88 2.30 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 0.66 0.00 0.00 0.97 0.00 0.00 117 T 7.73 4.12 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 1.37 0.00 0.00 118 S 7.81 4.27 0.00 4.01 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 Q 7.82 4.31 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.85 0.00 0.00 0.00 0.00 0.00 2.18 2.57 0.00 120 A 8.48 4.04 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 0.00 121 G 8.80 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 A 8.35 4.17 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 0.00 123 F 8.51 4.01 0.00 3.14 3.13 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 0.00 0.00 0.00 124 G 7.46 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 0.00 125 D 7.44 4.62 0.00 2.64 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 0.00 126 Y 7.57 4.72 0.00 2.98 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 0.00 127 V 8.36 4.62 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 1.05 0.00 0.00 0.99 0.00 0.00 128 V 8.44 4.86 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 0.83 0.00 0.00 1.02 0.00 0.00 129 T 8.56 4.62 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 1.23 0.00 0.00 130 R 8.39 4.81 0.00 1.82 1.82 0.00 3.24 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.63 0.00 131 D 8.93 4.69 0.00 2.93 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 0.00 132 V 8.25 4.42 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 0.84 0.00 0.00 0.94 0.00 0.00 133 D 7.65 4.23 0.00 2.70 2.51 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 0.00 0.00 0.00 0.00 134 A 6.92 4.17 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 *138 N 8.35 4.51 0.00 2.85 2.93 0.00 0.00 6.24 7.26 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 0.00 139 A 7.79 4.28 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 0.00 140 V 7.35 4.49 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 0.79 0.00 0.00 0.94 0.00 0.00 141 P 0.00 4.38 0.00 2.18 1.99 0.00 3.62 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 2.12 2.10 0.00 142 R 8.71 3.83 0.00 1.75 1.99 0.00 3.28 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.75 0.00 143 Q 8.03 4.44 0.00 2.12 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.13 6.73 0.00 0.00 0.00 0.00 0.00 2.39 2.30 0.00 144 T 7.85 4.95 4.39 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 1.26 0.00 0.00 145 I 8.64 4.54 1.90 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 1.25 0.90 0.91 0.00 0.00 146 I 8.29 4.86 1.84 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 1.27 0.81 0.73 0.00 0.00 147 M 9.19 5.21 0.00 1.88 1.76 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.48 0.00 148 Y 9.41 5.02 0.00 2.79 2.76 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 0.00 0.00 0.00 0.00 149 M 9.31 5.62 0.00 1.87 1.84 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.43 0.00 150 R 8.65 4.38 0.00 1.71 1.89 0.00 3.00 0.00 0.00 3.10 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.57 0.00 151 V 7.72 4.16 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 0.85 0.00 0.00 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.