NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.4656 8.3049 120.3565 54.9740 34.2864 175.8520 5 F 5.1922 7.9587 115.5354 55.6428 40.2502 176.2206 6 R 3.9379 8.6175 119.0925 58.8678 31.0212 175.4498 7 K 4.5488 8.4662 123.2062 54.2648 34.1312 174.9975 8 V 4.7131 9.3585 120.7468 59.4133 34.7369 174.9985 9 L 4.7298 8.6866 126.3154 53.6908 43.6082 174.8000 10 F 5.1428 9.0517 130.4981 55.2202 41.0147 172.4351 11 P 5.4330 0.0000 0.0000 60.6794 32.5811 174.7701 12 T 4.3667 8.3330 119.5451 60.4148 69.7508 174.1860 13 D 4.5993 7.8074 123.8050 52.4973 40.1227 176.2717 14 F 3.8753 7.7068 115.3203 58.8796 37.2052 175.1156 15 S 4.4719 7.6445 115.2050 58.5217 62.9190 174.5670 16 E 4.5193 8.8081 120.5146 58.2608 29.1017 179.2692 17 G 3.6743 8.1188 105.4273 47.2196 0.0000 175.2690 18 A 4.3622 8.6846 123.4094 55.6988 18.3593 179.1718 19 Y 4.2546 8.0673 114.3717 61.0316 38.0306 178.1280 20 R 4.1293 8.5596 118.9295 58.3242 30.1274 178.0293 21 A 4.1400 9.1955 122.2289 55.6378 18.2909 179.6375 22 V 3.7869 7.8762 116.0946 65.2301 31.5800 177.6334 23 E 4.2567 8.2357 116.7514 58.3019 30.1859 178.3520 24 V 3.5928 7.8836 119.4439 66.0436 31.4851 177.7728 25 F 4.0625 8.5821 120.5016 61.0947 38.9476 176.4308 26 E 3.8278 7.7029 117.5905 59.4020 29.4854 178.8386 27 K 4.0417 8.0466 116.7179 59.6858 32.2848 179.3802 28 R 3.8786 7.1499 117.0869 58.0359 30.4908 176.0981 29 N 4.7517 7.0834 115.6680 51.7713 40.5189 175.1891 30 K 4.5368 7.9779 122.9384 54.2700 33.2155 174.6652 31 M 4.7211 8.2428 119.2178 53.9355 35.8192 173.2292 32 E 4.8000 8.7117 125.5910 54.8395 31.1892 175.1193 33 V 4.2674 8.4306 127.1741 62.0828 33.0295 176.7118 34 G 3.9402 9.1586 115.8509 48.5077 0.0000 172.8142 35 E 5.3744 7.8349 119.9258 54.6290 33.3035 173.9149 36 V 4.7733 8.5565 124.9520 59.9514 34.7635 174.2848 37 I 4.5791 8.9552 126.0281 60.0671 38.9080 174.3856 38 L 4.8425 9.7773 130.2841 53.9119 43.7239 174.9247 39 L 5.2754 8.7541 127.8742 53.4665 45.7061 174.3072 40 H 5.3591 8.9721 125.2050 53.2223 32.9076 171.9993 41 V 4.5119 7.8881 125.3491 60.9023 33.3582 174.9319 42 I 3.7210 8.7554 130.3456 61.3005 37.9380 175.3567 43 D 4.8748 8.5852 127.8458 53.0864 40.5542 173.1095 44 E 3.9801 8.2148 123.6025 56.7570 28.5126 176.2346 45 G 4.8898 8.0186 125.7753 45.5386 0.0000 172.5475 46 T 4.3047 7.9026 117.3752 64.2301 69.3201 176.8743 47 L 4.1852 7.9305 122.0980 57.9141 42.1371 178.3230 48 E 4.1813 8.0112 117.7733 58.3646 29.6775 178.5157 49 E 3.9334 7.8942 118.5643 59.4112 29.5998 178.5255 50 L 4.3568 8.2109 115.8595 55.7532 42.1264 178.2174 51 M 4.1742 7.5459 118.3186 58.4646 32.3890 177.0684 52 D 4.6803 7.8820 119.3162 57.3441 40.8868 179.1090 53 G 3.4794 7.4346 103.2524 45.0504 0.0000 172.6451 54 Y 4.0760 6.8302 117.2766 57.8689 38.5055 170.8894 *66 K 4.0993 7.7884 121.9970 56.4194 32.9870 175.3369 67 D 5.0409 7.5166 115.1771 54.5869 42.0200 179.1800 68 I 4.0210 7.6950 121.9404 63.5547 37.4645 177.3624 69 K 3.9233 7.4650 120.4175 60.3914 31.9144 178.5759 70 E 3.8124 8.0444 119.4894 58.5382 29.7348 177.9852 71 K 3.9645 8.1403 119.2996 59.8186 32.0918 178.5061 72 L 4.0739 8.3655 119.3497 57.5758 41.3332 179.3537 73 K 4.0675 8.7300 120.5977 59.4577 32.2119 178.7409 74 E 4.0572 8.8218 118.4115 59.3260 29.2585 178.6024 75 E 3.9596 8.3741 119.8958 59.2427 29.6176 177.3740 76 A 4.1649 8.3841 121.8904 54.3356 17.8044 178.6646 77 S 4.2398 9.6650 112.5813 60.9254 62.8940 176.2016 78 R 4.1509 8.7991 121.7147 57.1231 29.5621 179.0718 79 K 4.3062 7.4926 119.9988 59.7317 33.1645 177.8728 80 L 4.1952 8.0049 119.6595 57.4808 41.4759 178.9109 81 Q 4.1009 7.8915 120.0130 58.6213 28.8167 178.4028 82 E 4.0551 8.6657 120.9714 59.5294 29.8061 178.5431 83 K 4.5235 8.2686 120.4320 58.5441 32.3260 178.2690 84 A 3.9134 8.6091 121.8422 55.5344 17.7608 179.3344 85 E 4.0665 7.9865 115.9366 58.8338 29.5468 179.0607 86 E 3.8584 8.1005 117.5746 58.9132 29.9360 179.1527 87 V 3.3742 7.9665 119.2781 65.8607 31.6125 177.7543 88 K 3.8412 7.6619 119.0578 59.7364 31.9483 178.3991 89 R 3.9605 7.5478 117.2982 58.9881 30.1022 178.2365 90 A 4.0726 8.0522 119.3898 55.7915 18.5161 179.6357 91 F 3.9984 9.1648 114.2823 58.0791 39.9439 175.2257 92 R 3.8866 8.1988 118.1893 57.3479 28.6434 174.7794 93 A 5.1955 8.2520 118.3104 50.2691 20.7271 178.7533 94 K 4.1980 9.5863 122.4299 59.1741 32.7875 177.4678 95 N 5.2671 8.4096 115.4757 51.2646 43.2315 174.0285 96 V 4.9544 8.4164 120.8287 59.8904 33.4299 174.8249 97 R 4.8901 8.9739 120.4527 54.4907 33.1000 174.1927 98 T 4.7379 8.2452 109.1255 60.4783 72.1460 173.7177 99 I 4.4232 8.3643 122.0095 60.6838 41.9299 173.9087 100 I 5.0719 8.4495 127.7856 59.9914 39.6391 175.3181 101 R 4.7109 8.5941 122.4326 54.7365 35.0612 173.8409 102 F 4.7579 8.8628 125.0217 57.1243 40.8870 175.0437 103 G 3.7473 7.2304 114.8625 45.9075 0.0000 170.1520 104 I 4.1967 7.1607 114.1859 58.7947 38.7640 174.0534 105 P 3.9251 0.0000 0.0000 65.6906 31.5410 178.2572 106 W 4.2157 7.9087 114.5120 58.6352 28.4525 177.0794 107 D 3.4513 6.8526 118.5129 55.1214 41.0425 178.0400 108 E 3.8414 7.9420 119.4230 58.9915 29.4294 178.6012 109 I 3.6747 7.5784 119.4350 64.6312 37.1830 178.3316 110 V 3.8955 7.8213 118.6654 66.3074 31.2627 177.6613 111 K 4.0905 7.6809 118.4623 58.1901 31.4872 179.1216 112 V 3.4893 8.1197 118.0112 66.2322 31.5423 178.0359 113 A 4.0212 8.5110 120.6032 55.3742 18.1507 179.2766 114 E 3.8605 7.8649 117.0249 60.0347 29.5677 178.3460 115 E 4.0319 8.2771 117.5830 58.6566 29.6317 179.0564 116 E 3.8222 8.2280 119.8340 57.3303 31.2052 177.3527 117 N 4.0292 7.7590 113.9056 54.7633 37.2554 173.0496 118 V 4.0650 7.8015 114.9443 60.9116 33.0903 176.2072 119 S 4.7863 8.1705 113.5583 58.9302 64.6482 173.9411 120 L 4.7614 7.6893 120.6729 54.1711 45.7384 173.4201 121 I 4.8950 8.5419 123.7689 59.5774 39.8028 174.9067 122 I 4.6265 8.5003 128.4143 60.4634 39.0461 174.8449 123 L 4.4744 8.5772 127.4295 52.6223 45.3408 173.7516 124 P 4.5712 0.0000 0.0000 62.5941 31.8397 176.0934 125 S 4.1162 9.2064 119.5339 59.8306 62.6814 175.5622 126 R 4.3861 7.7906 117.7893 56.3994 28.5162 176.5755 *133 H 4.9217 9.0885 112.2277 56.0251 30.9056 173.3604 134 E 4.1276 7.9050 115.1531 56.9771 29.9164 176.1083 135 F 4.3200 8.2378 121.1956 58.4101 39.4674 173.6438 136 L 4.2213 8.0031 130.2126 52.8670 43.4800 176.3702 137 G 3.5260 7.7273 114.2331 45.4780 0.0000 174.6641 138 S 4.1788 8.4779 115.4119 60.5040 63.3069 175.7128 139 T 4.2696 7.6512 115.1792 62.8351 67.5282 176.4347 140 V 3.5550 7.4460 119.9911 66.2564 31.8555 177.5531 141 M 3.9676 7.6572 117.9559 58.4531 31.3359 178.6404 142 R 3.4977 7.8454 118.7514 59.4293 30.2381 178.7120 143 V 3.6845 7.7550 117.9431 65.6177 31.2742 177.7516 144 L 3.9427 8.2862 120.2528 58.1409 41.9511 178.8772 145 R 4.0187 7.6621 116.7470 57.9540 30.1394 177.7695 146 K 4.3164 7.3028 116.5697 55.7681 33.2237 176.2433 147 T 4.4073 7.0225 108.2981 61.0963 70.0124 174.8063 148 K 4.2965 7.7712 117.8339 56.6289 32.6870 177.3941 149 K 4.4668 7.5593 118.1865 54.3789 33.7796 174.4780 150 P 4.6995 0.0000 0.0000 62.6811 32.6331 175.9351 151 V 4.8944 8.1949 121.1118 59.9102 34.6427 174.1795 152 L 4.7614 8.9682 126.0965 53.4161 44.2679 174.7605 153 I 5.1438 8.4672 126.9461 59.5787 39.3336 174.9666 154 I 4.6675 8.5424 119.0426 60.1802 41.1517 175.7563 155 K 4.3203 9.0877 121.1939 56.8620 32.3753 178.7025 156 E 4.5165 9.0937 124.4394 54.9486 31.9808 175.0555 157 V 3.8209 7.8642 120.5781 63.0148 32.0562 175.3459 158 D 4.6742 7.6348 120.7577 51.6480 39.1082 175.8585 159 E 4.0923 7.6288 124.5073 55.8813 28.8158 177.0073 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 M 8.30 4.47 0.00 1.84 2.12 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 5 F 7.96 5.19 0.00 3.07 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 R 8.62 3.94 0.00 1.93 2.25 0.00 2.94 0.00 0.00 3.30 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 7 K 8.47 4.55 0.00 1.86 1.72 0.00 1.63 0.00 0.00 1.93 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.56 7.81 8 V 9.36 4.71 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 0.65 0.00 0.00 0.94 0.00 0.00 9 L 8.69 4.73 0.00 1.70 1.52 0.88 0.74 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 10 F 9.05 5.14 0.00 2.92 2.59 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 0.00 0.00 0.00 0.00 11 P 0.00 5.43 0.00 1.90 1.88 0.00 2.90 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 12 T 8.33 4.37 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 13 D 7.81 4.60 0.00 2.73 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 7.71 3.88 0.00 3.39 3.37 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 15 S 7.64 4.47 0.00 4.04 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 0.00 16 E 8.81 4.52 0.00 2.14 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 2.46 2.46 0.00 17 G 8.12 3.67 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 0.00 0.00 0.00 18 A 8.68 4.36 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.07 4.25 0.00 3.14 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.56 4.13 0.00 2.10 2.06 0.00 3.41 0.00 0.00 3.23 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.76 0.00 21 A 9.20 4.14 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 V 7.88 3.79 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 1.08 0.00 0.00 0.66 0.00 0.00 23 E 8.24 4.26 0.00 2.28 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 0.00 2.42 2.61 0.00 24 V 7.88 3.59 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 1.19 0.00 0.00 25 F 8.58 4.06 0.00 3.03 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 7.70 3.83 0.00 2.20 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 0.00 2.32 2.55 0.00 27 K 8.05 4.04 0.00 1.74 1.82 0.00 1.79 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.68 7.81 28 R 7.15 3.88 0.00 1.90 1.83 0.00 3.30 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.86 0.00 29 N 7.08 4.75 0.00 1.66 1.42 0.00 0.00 7.09 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 30 K 7.98 4.54 0.00 1.68 1.63 0.00 1.79 0.00 0.00 1.59 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.24 1.34 7.81 31 M 8.24 4.72 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.51 0.00 32 E 8.71 4.80 0.00 2.06 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 2.28 2.34 0.00 33 V 8.43 4.27 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 0.95 0.00 0.00 0.96 0.00 0.00 34 G 9.16 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.83 5.37 0.00 2.03 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 2.25 2.27 0.00 36 V 8.56 4.77 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 0.62 0.00 0.00 0.37 0.00 0.00 37 I 8.96 4.58 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 1.09 0.74 0.88 0.00 0.00 38 L 9.78 4.84 0.00 1.66 1.48 0.75 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 39 L 8.75 5.28 0.00 1.73 1.38 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 40 H 8.97 5.36 0.00 2.96 3.08 0.00 5.64 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 V 7.89 4.51 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 0.70 0.00 0.00 0.79 0.00 0.00 42 I 8.76 3.72 2.08 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.84 1.09 0.00 0.00 43 D 8.59 4.87 0.00 2.66 2.49 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 44 E 8.21 3.98 0.00 1.16 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 2.28 2.42 0.00 45 G 8.02 4.89 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 T 7.90 4.30 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 1.31 0.00 0.00 47 L 7.93 4.19 0.00 1.87 1.87 1.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 48 E 8.01 4.18 0.00 2.02 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 2.42 2.36 0.00 49 E 7.89 3.93 0.00 2.16 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 2.32 2.28 0.00 50 L 8.21 4.36 0.00 1.62 1.73 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 51 M 7.55 4.17 0.00 2.14 2.32 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.64 0.00 52 D 7.88 4.68 0.00 2.98 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 53 G 7.43 3.48 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 0.00 54 Y 6.83 4.08 0.00 3.10 3.29 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 *66 K 7.79 4.10 0.00 1.85 1.73 0.00 1.62 0.00 0.00 1.83 0.00 0.00 3.19 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.52 7.81 67 D 7.52 5.04 0.00 2.68 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 68 I 7.70 4.02 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.84 0.96 0.00 0.00 69 K 7.47 3.92 0.00 1.86 1.89 0.00 1.45 0.00 0.00 1.51 0.00 0.00 2.80 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.16 1.70 7.81 70 E 8.04 3.81 0.00 2.07 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 2.36 2.41 0.00 71 K 8.14 3.96 0.00 1.91 2.00 0.00 1.67 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.64 7.81 72 L 8.37 4.07 0.00 1.99 1.82 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.73 4.07 0.00 1.89 1.99 0.00 1.64 0.00 0.00 1.87 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.47 1.50 7.81 74 E 8.82 4.06 0.00 2.20 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 2.29 2.31 0.00 75 E 8.37 3.96 0.00 2.11 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 2.26 2.26 0.00 76 A 8.38 4.16 1.54 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 0.00 0.00 0.00 0.00 0.00 0.00 77 S 9.66 4.24 0.00 3.82 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 78 R 8.80 4.15 0.00 2.12 1.72 0.00 3.27 0.00 0.00 3.07 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 79 K 7.49 4.31 0.00 1.75 0.79 0.00 0.61 0.00 0.00 1.33 0.00 0.00 2.68 0.00 0.00 2.26 0.00 0.00 0.00 0.00 1.03 1.27 7.81 80 L 8.00 4.20 0.00 1.80 1.70 1.13 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.89 4.10 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.97 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 82 E 8.67 4.06 0.00 2.01 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 2.33 2.32 0.00 83 K 8.27 4.52 0.00 2.28 1.88 0.00 1.70 0.00 0.00 1.69 0.00 0.00 2.63 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.54 1.69 7.81 84 A 8.61 3.91 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 85 E 7.99 4.07 0.00 2.02 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 2.32 2.45 0.00 86 E 8.10 3.86 0.00 2.23 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 0.00 2.39 2.52 0.00 87 V 7.97 3.37 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 -0.03 0.00 0.00 0.67 0.00 0.00 88 K 7.66 3.84 0.00 2.01 2.00 0.00 1.67 0.00 0.00 1.65 0.00 0.00 3.11 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.53 7.81 89 R 7.55 3.96 0.00 2.07 1.98 0.00 3.23 0.00 0.00 3.19 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.66 0.00 90 A 8.05 4.07 1.60 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 0.00 0.00 91 F 9.16 4.00 0.00 3.21 3.23 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 0.00 92 R 8.20 3.89 0.00 2.11 1.98 0.00 3.07 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.60 0.00 93 A 8.25 5.20 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 94 K 9.59 4.20 0.00 1.89 1.91 0.00 1.68 0.00 0.00 1.91 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.53 1.62 7.81 95 N 8.41 5.27 0.00 2.60 2.64 0.00 0.00 6.55 7.86 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 96 V 8.42 4.95 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 0.76 0.00 0.00 0.89 0.00 0.00 97 R 8.97 4.89 0.00 1.84 2.01 0.00 2.71 0.00 0.00 3.46 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 98 T 8.25 4.74 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 1.21 0.00 0.00 99 I 8.36 4.42 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 1.22 0.55 0.90 0.00 0.00 100 I 8.45 5.07 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.89 0.99 0.00 0.00 101 R 8.59 4.71 0.00 1.64 1.68 0.00 3.24 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 102 F 8.86 4.76 0.00 3.04 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.23 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 0.00 104 I 7.16 4.20 1.51 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 0.77 0.51 0.81 0.00 0.00 105 P 0.00 3.93 0.00 2.15 2.02 0.00 3.46 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 106 W 7.91 4.22 0.00 3.47 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 D 6.85 3.45 0.00 1.58 1.62 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 0.00 108 E 7.94 3.84 0.00 1.93 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 2.23 2.31 0.00 109 I 7.58 3.67 2.04 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 1.41 0.71 0.87 0.00 0.00 110 V 7.82 3.90 2.36 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 1.15 0.00 0.00 1.23 0.00 0.00 111 K 7.68 4.09 0.00 2.11 1.71 0.00 1.67 0.00 0.00 1.73 0.00 0.00 2.84 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.42 1.41 7.81 112 V 8.12 3.49 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 0.98 0.00 0.00 0.95 0.00 0.00 113 A 8.51 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 0.00 114 E 7.86 3.86 0.00 2.29 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 2.32 2.40 0.00 115 E 8.28 4.03 0.00 1.99 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 2.37 2.40 0.00 116 E 8.23 3.82 0.00 2.09 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 2.43 2.51 0.00 117 N 7.76 4.03 0.00 2.74 2.78 0.00 0.00 7.20 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.80 4.06 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 0.75 0.00 0.00 0.97 0.00 0.00 119 S 8.17 4.79 0.00 3.95 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 L 7.69 4.76 0.00 1.90 1.63 1.08 1.37 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 0.00 121 I 8.54 4.90 1.85 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 1.22 0.64 0.88 0.00 0.00 122 I 8.50 4.63 2.11 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 1.23 1.28 0.98 0.00 0.00 123 L 8.58 4.47 0.00 1.64 1.36 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 124 P 0.00 4.57 0.00 1.95 2.01 0.00 3.52 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.98 0.00 125 S 9.21 4.12 0.00 3.90 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 0.00 126 R 7.79 4.39 0.00 1.84 0.92 0.00 3.73 0.00 0.00 3.24 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.85 0.00 *133 H 9.09 4.92 0.00 3.16 3.40 0.00 5.97 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 E 7.91 4.13 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 1.69 0.00 135 F 8.24 4.32 0.00 2.95 3.07 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 0.00 136 L 8.00 4.22 0.00 1.50 1.33 0.79 1.01 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 0.00 137 G 7.73 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 0.00 138 S 8.48 4.18 0.00 4.08 4.18 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 0.00 0.00 0.00 0.00 139 T 7.65 4.27 4.29 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 1.18 0.00 0.00 140 V 7.45 3.56 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 0.94 0.00 0.00 0.90 0.00 0.00 141 M 7.66 3.97 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.47 0.00 142 R 7.85 3.50 0.00 1.46 1.61 0.00 2.21 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 0.50 0.50 0.00 143 V 7.75 3.68 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 0.96 0.00 0.00 1.07 0.00 0.00 144 L 8.29 3.94 0.00 1.78 1.85 0.89 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 145 R 7.66 4.02 0.00 1.81 1.82 0.00 3.10 0.00 0.00 3.03 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.51 0.00 146 K 7.30 4.32 0.00 1.70 1.77 0.00 1.40 0.00 0.00 1.09 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.40 7.81 147 T 7.02 4.41 4.36 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 1.24 0.00 0.00 148 K 7.77 4.30 0.00 1.85 1.89 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.51 1.55 7.81 149 K 7.56 4.47 0.00 1.75 1.75 0.00 1.93 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.41 1.41 7.81 150 P 0.00 4.70 0.00 2.11 1.99 0.00 3.65 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 2.30 2.10 0.00 151 V 8.19 4.89 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 0.76 0.00 0.00 0.91 0.00 0.00 152 L 8.97 4.76 0.00 1.89 1.64 1.03 1.50 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 0.00 153 I 8.47 5.14 1.88 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 1.37 0.60 0.89 0.00 0.00 154 I 8.54 4.67 1.99 0.00 0.00 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 1.39 0.99 1.06 0.00 0.00 155 K 9.09 4.32 0.00 1.74 1.35 0.00 1.75 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.34 1.43 7.81 156 E 9.09 4.52 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 2.27 2.24 0.00 157 V 7.86 3.82 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 0.77 0.00 0.00 0.94 0.00 0.00 158 D 7.63 4.67 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 E 7.63 4.09 0.00 2.02 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 2.29 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.