NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.7463 8.4045 120.7080 55.1660 33.0535 174.9403 2 R 4.6135 8.6786 123.5957 53.8065 34.0206 170.7023 3 R 4.8302 8.6643 119.6064 58.5982 31.9412 174.7640 *4 Y 4.8259 8.4689 118.1742 59.2921 41.5972 173.2029 5 E 4.8871 8.8206 115.0560 58.0213 34.6819 171.0821 6 V 4.6197 9.6224 128.1157 59.4328 34.3608 172.0490 7 N 5.3363 8.8186 127.4461 51.4779 40.2009 171.5135 8 I 4.8553 8.6784 123.0534 59.7969 40.4180 174.7872 9 V 5.6480 8.6420 128.2476 58.8739 34.9148 172.6061 10 L 5.8691 8.1271 126.7722 52.1570 45.6445 174.8195 11 N 4.8697 8.8013 116.5545 54.7373 37.8728 170.7262 12 P 4.4558 0.0000 0.0000 64.1765 31.4126 177.8828 13 N 4.6229 8.1309 114.5132 54.8995 38.0943 181.7816 14 L 4.1591 7.9347 118.3566 55.9085 41.6566 182.0488 15 D 5.0525 8.3760 121.5876 52.0828 42.4144 179.1440 16 Q 3.7775 8.4288 122.4457 58.4574 29.0337 180.9957 17 S 4.3264 8.3386 120.0960 63.9074 62.4370 180.0675 18 Q 4.2444 8.8265 127.3976 60.6149 27.9038 180.7141 19 L 4.1672 7.9755 124.0247 59.5396 41.0015 180.8837 20 A 4.2522 7.9720 123.7391 55.7988 17.6473 180.3870 21 L 4.1357 7.8356 123.1354 59.8157 41.0136 182.8634 22 E 4.2395 8.3288 120.7934 61.8151 29.7773 182.4482 23 K 4.0764 8.4268 127.9635 60.6262 31.7127 181.0326 24 E 4.1821 8.1645 121.2215 62.0334 29.5654 182.4160 25 I 4.0933 7.5857 122.3641 65.3087 35.4907 180.7371 26 I 3.9300 8.3013 124.7458 65.8024 35.3767 180.6341 27 Q 4.2912 8.7983 125.4237 61.0186 27.6877 182.0711 28 R 4.1475 7.8765 120.9642 61.0941 29.6723 180.1773 29 A 4.3532 8.6257 124.2485 55.8187 18.3055 179.9334 30 L 3.9291 8.3375 122.7170 60.8372 40.7560 182.2470 31 E 4.3711 8.1465 120.4533 61.6801 29.7055 181.5783 32 N 4.8280 8.2638 120.5847 56.8083 39.2131 178.5421 *33 Y 4.7066 7.9033 117.2112 57.7813 37.2077 180.7880 34 G 4.2837 7.8406 109.5162 45.6617 0.0000 170.3474 35 A 4.4615 7.7155 124.7836 51.3385 19.9456 179.5424 36 R 4.4599 8.5717 125.5502 54.4879 30.5387 171.7781 37 V 3.6492 8.3591 124.8449 62.2962 31.5232 175.2208 38 E 4.3355 9.3582 127.6862 58.3485 30.8958 173.3574 39 K 4.7143 7.4806 123.9075 55.6779 36.4687 177.4253 40 V 5.0652 8.2302 114.9063 64.8337 35.5941 169.7614 41 E 4.4831 8.2429 120.1045 57.3885 32.3454 175.2722 42 E 4.4476 8.9067 126.6652 56.2630 28.6028 174.8142 43 L 4.5795 8.5990 125.6784 54.5600 41.9127 175.0419 44 G 3.7237 7.6084 110.1818 44.9321 0.0000 171.2813 45 L 3.6903 8.7242 130.1197 53.5644 40.4088 175.3123 46 R 4.5284 8.0829 124.0863 56.2010 34.1501 171.7340 47 R 4.6185 8.5428 120.8434 56.6817 28.0095 174.3059 48 L 4.1350 7.9712 126.2278 55.1702 41.3349 177.2873 49 A 4.2172 8.8855 126.2184 53.9414 19.1026 178.0439 *50 Y 4.6060 7.5766 116.0236 54.7781 40.7702 179.1020 51 P 4.3188 0.0000 0.0000 62.4899 31.3267 173.4763 52 I 4.2760 8.6788 122.1001 57.8823 36.8273 172.2675 53 A 3.6356 9.2986 132.5583 53.0653 15.5494 178.8746 54 K 3.8724 8.3185 121.4867 56.4837 30.7471 177.8397 55 D 4.9204 7.7240 119.7938 52.8276 41.1578 180.8650 56 P 5.1175 0.0000 0.0000 62.6382 31.6804 173.0583 57 Q 4.9761 7.8897 118.4828 55.8544 32.0644 177.3984 58 G 4.2583 8.5952 108.1548 45.8878 0.0000 172.0777 *59 Y 4.6489 8.2669 123.8882 57.3160 38.3938 176.2546 *60 F 5.0129 8.9613 128.4487 55.5877 39.4715 171.4106 61 L 4.9535 8.9501 130.4186 53.0600 43.6024 174.1556 *62 W 5.3959 8.5043 125.8149 55.7118 32.2933 173.7010 *63 Y 4.9957 9.1370 128.3754 55.2544 40.1759 171.6185 64 Q 5.1654 8.4097 125.3206 54.1091 30.9988 174.3141 65 V 4.6617 8.4460 124.5186 59.7864 36.5145 172.7055 66 E 5.3809 8.8432 125.0347 55.1630 28.7710 175.2951 67 M 4.6338 8.0596 129.6445 53.0822 34.9494 174.1408 68 P 4.5428 0.0000 0.0000 63.3388 30.3822 176.1972 69 E 3.5955 7.8429 122.4256 58.5179 31.0843 178.1683 70 D 4.5603 8.1368 119.0005 55.8889 39.9392 180.8208 71 R 4.6288 8.3041 121.1312 61.8496 31.1324 185.0000 72 V 3.5515 7.8239 119.3202 66.1967 31.8063 181.1667 73 N 4.8123 8.0773 121.8137 56.4888 37.8509 178.5025 74 D 4.9487 9.2392 125.7124 58.8827 40.8257 184.3759 75 L 4.1575 7.8431 123.3610 59.5099 40.7836 180.7121 76 A 4.2675 7.8129 122.9572 55.7316 18.4918 180.5463 77 R 4.1223 8.1695 121.4976 62.3712 29.5368 183.4059 78 E 4.3633 8.2159 119.7568 61.0664 29.7904 181.2769 79 L 4.5110 8.7909 124.1651 60.0711 40.7542 183.6958 80 R 4.7779 7.5885 120.5767 59.1858 29.4906 180.2983 81 I 4.3365 7.6862 118.8487 61.8456 36.5931 180.6062 82 R 4.3886 7.5259 121.0027 56.5173 30.2321 182.9549 83 D 4.4334 9.1622 125.2986 56.4901 39.9052 175.8091 84 N 4.5704 8.3383 120.9232 55.8121 38.7776 177.1316 85 V 4.3130 7.6197 119.2221 62.1865 31.5536 182.0426 86 R 4.3091 9.3173 130.5673 58.9061 30.2352 174.4234 87 R 4.8601 7.8572 120.9478 55.7512 34.1417 176.7266 88 V 4.9470 8.3742 121.2971 60.7860 36.1825 176.4845 89 M 4.6142 8.7900 127.5308 54.2581 34.6544 173.4849 90 V 5.1853 8.3952 126.3493 60.1225 33.5801 173.4393 91 V 4.6422 8.0856 122.7617 60.1965 36.5974 174.7279 92 K 4.4076 8.6379 125.7411 56.4966 32.5161 179.5062 93 S 4.4976 8.8153 125.9007 58.7279 60.6235 170.9680 94 Q 4.2236 8.4555 126.1712 53.9506 29.0353 175.9001 95 E 3.9853 8.7743 121.8008 54.1472 30.8723 172.9785 96 P 4.6055 0.0000 0.0000 63.7369 31.6388 177.2159 *97 F 4.8671 7.9718 119.9861 58.6240 39.0469 176.6139 98 L 3.7237 7.0300 120.1685 53.9296 41.6106 178.7403 99 A 4.2266 7.8565 124.2752 50.2668 21.6992 176.6335 100 N 4.4726 10.0552 118.0533 51.3982 40.2355 171.6407 101 A 4.1479 8.1366 118.2827 54.5445 18.7946 177.2494 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 1 M 8.40 4.75 0.00 1.82 1.94 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.13 0.00 2 R 8.68 4.61 0.00 1.45 1.78 0.00 3.22 0.00 0.00 3.19 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.52 0.00 3 R 8.66 4.83 0.00 1.58 1.75 0.00 3.25 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.19 0.00 *4 Y 8.47 4.83 0.00 1.96 2.17 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 5 E 8.82 4.89 0.00 1.63 1.78 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 2.15 2.14 0.00 6 V 9.62 4.62 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 0.65 0.00 0.00 0.93 0.00 0.00 7 N 8.82 5.34 0.00 2.44 2.70 0.00 0.00 6.47 7.16 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 8 I 8.68 4.86 1.87 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 1.09 0.47 0.91 0.00 0.00 9 V 8.64 5.65 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 0.93 0.00 0.00 10 L 8.13 5.87 0.00 1.27 1.54 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 11 N 8.80 4.87 0.00 2.50 2.63 0.00 0.00 6.45 7.75 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 12 P 0.00 4.46 0.00 2.08 1.98 0.00 3.71 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 1.92 1.58 0.00 13 N 8.13 4.62 0.00 2.74 2.75 0.00 0.00 6.58 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.93 4.16 0.00 1.66 1.50 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 15 D 8.38 5.05 0.00 2.58 2.54 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 16 Q 8.43 3.78 0.00 1.98 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.90 0.00 0.00 0.00 0.00 0.00 2.37 1.99 0.00 17 S 8.34 4.33 0.00 3.73 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 18 Q 8.83 4.24 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.83 6.72 0.00 0.00 0.00 0.00 0.00 2.29 2.24 0.00 19 L 7.98 4.17 0.00 1.64 1.72 0.92 0.92 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 20 A 7.97 4.25 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 0.00 0.00 21 L 7.84 4.14 0.00 1.61 1.68 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.33 4.24 0.00 1.99 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 2.24 2.19 0.00 23 K 8.43 4.08 0.00 1.73 1.87 0.00 1.82 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.38 1.36 7.81 24 E 8.16 4.18 0.00 1.98 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 2.26 2.24 0.00 25 I 7.59 4.09 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.54 0.91 0.00 0.00 26 I 8.30 3.93 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.53 0.91 0.00 0.00 27 Q 8.80 4.29 0.00 2.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.90 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.27 0.00 28 R 7.88 4.15 0.00 1.92 1.88 0.00 3.25 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 1.58 1.53 0.00 29 A 8.63 4.35 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.34 3.93 0.00 1.64 1.73 0.92 1.16 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 31 E 8.15 4.37 0.00 2.09 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 2.26 2.21 0.00 32 N 8.26 4.83 0.00 2.83 2.78 0.00 0.00 6.70 7.07 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 *33 Y 7.90 4.71 0.00 2.17 2.17 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 34 G 7.84 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 0.00 0.00 0.00 0.00 35 A 7.72 4.46 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 36 R 8.57 4.46 0.00 1.57 1.72 0.00 3.31 0.00 0.00 3.26 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.16 0.00 37 V 8.36 3.65 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 0.84 0.00 0.00 0.93 0.00 0.00 38 E 9.36 4.34 0.00 1.73 1.88 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 2.22 2.13 0.00 39 K 7.48 4.71 0.00 1.37 1.67 0.00 1.79 0.00 0.00 1.85 0.00 0.00 2.78 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.33 0.99 7.81 40 V 8.23 5.07 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 0.89 0.00 0.00 0.93 0.00 0.00 41 E 8.24 4.48 0.00 1.61 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 2.22 1.87 0.00 42 E 8.91 4.45 0.00 1.75 1.82 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 2.23 1.88 0.00 43 L 8.60 4.58 0.00 1.44 1.56 0.92 0.86 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 44 G 7.61 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.72 3.69 0.00 1.84 1.55 0.92 0.83 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 46 R 8.08 4.53 0.00 1.45 1.78 0.00 3.20 0.00 0.00 3.37 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.18 0.00 47 R 8.54 4.62 0.00 1.58 1.77 0.00 3.26 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.19 0.00 48 L 7.97 4.14 0.00 1.40 1.52 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.89 4.22 1.28 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 0.00 0.00 *50 Y 7.58 4.61 0.00 2.29 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 0.00 0.00 0.00 51 P 0.00 4.32 0.00 2.08 1.91 0.00 3.69 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 1.95 1.61 0.00 52 I 8.68 4.28 1.87 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 1.23 0.62 0.91 0.00 0.00 53 A 9.30 3.64 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 54 K 8.32 3.87 0.00 1.95 1.81 0.00 1.79 0.00 0.00 1.74 0.00 0.00 2.97 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 0.98 7.81 55 D 7.72 4.92 0.00 2.62 2.56 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 56 P 0.00 5.12 0.00 1.76 2.03 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.59 0.00 57 Q 7.89 4.98 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.74 0.00 0.00 0.00 0.00 0.00 2.18 1.94 0.00 58 G 8.60 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 0.00 0.00 0.00 0.00 *59 Y 8.27 4.65 0.00 2.06 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 0.00 0.00 0.00 *60 F 8.96 5.01 0.00 1.95 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 0.00 0.00 0.00 0.00 61 L 8.95 4.95 0.00 1.31 1.55 0.92 1.19 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 *62 W 8.50 5.40 0.00 2.25 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 0.00 0.00 0.00 0.00 *63 Y 9.14 5.00 0.00 1.94 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 0.00 0.00 0.00 0.00 64 Q 8.41 5.17 0.00 1.85 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.72 0.00 0.00 0.00 0.00 0.00 2.20 2.15 0.00 65 V 8.45 4.66 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 0.64 0.00 0.00 0.93 0.00 0.00 66 E 8.84 5.38 0.00 1.74 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 0.00 2.15 1.70 0.00 67 M 8.06 4.63 0.00 1.70 1.99 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 1.94 0.00 68 P 0.00 4.54 0.00 1.98 1.99 0.00 3.71 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.56 0.00 69 E 7.84 3.60 0.00 1.92 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 2.30 1.93 0.00 70 D 8.14 4.56 0.00 2.68 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 71 R 8.30 4.63 0.00 1.75 1.92 0.00 3.27 0.00 0.00 3.20 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.47 0.00 72 V 7.82 3.55 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 0.70 0.00 0.00 0.93 0.00 0.00 73 N 8.08 4.81 0.00 2.81 2.76 0.00 0.00 6.45 8.06 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 74 D 9.24 4.95 0.00 2.49 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.84 4.16 0.00 1.64 1.71 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.81 4.27 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 77 R 8.17 4.12 0.00 1.84 1.94 0.00 3.28 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 78 E 8.22 4.36 0.00 2.06 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 0.00 2.23 1.94 0.00 79 L 8.79 4.51 0.00 1.60 1.70 0.92 1.08 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 80 R 7.59 4.78 0.00 1.94 1.83 0.00 3.22 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.50 0.00 81 I 7.69 4.34 1.87 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 1.27 1.15 0.91 0.00 0.00 82 R 7.53 4.39 0.00 1.82 1.84 0.00 3.26 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.44 0.00 83 D 9.16 4.43 0.00 2.69 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 84 N 8.34 4.57 0.00 2.41 2.86 0.00 0.00 6.91 7.67 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 85 V 7.62 4.31 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 0.81 0.00 0.00 0.93 0.00 0.00 86 R 9.32 4.31 0.00 1.54 1.86 0.00 3.21 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 87 R 7.86 4.86 0.00 1.43 1.74 0.00 3.16 0.00 0.00 3.37 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.20 0.00 88 V 8.37 4.95 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 0.88 0.00 0.00 0.93 0.00 0.00 89 M 8.79 4.61 0.00 1.59 1.93 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.37 0.00 90 V 8.40 5.19 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 0.98 0.00 0.00 0.93 0.00 0.00 91 V 8.09 4.64 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 0.93 0.00 0.00 92 K 8.64 4.41 0.00 1.54 1.62 0.00 1.78 0.00 0.00 1.74 0.00 0.00 2.68 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.35 1.01 7.81 93 S 8.82 4.50 0.00 3.39 3.73 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 94 Q 8.46 4.22 0.00 2.06 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.81 0.00 0.00 0.00 0.00 0.00 2.26 1.92 0.00 95 E 8.77 3.99 0.00 1.98 1.82 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 2.24 1.93 0.00 96 P 0.00 4.61 0.00 2.08 1.86 0.00 3.65 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 1.94 1.58 0.00 *97 F 7.97 4.87 0.00 2.25 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 0.00 0.00 0.00 0.00 98 L 7.03 3.72 0.00 1.67 1.48 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 99 A 7.86 4.23 1.25 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 0.00 0.00 0.00 100 N 10.06 4.47 0.00 2.86 2.79 0.00 0.00 6.85 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 0.00 101 A 8.14 4.15 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 * Residues marked with a * may have inaccurate shift predictions.