NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5401 8.1633 120.2814 54.9533 33.7121 173.1893 2 K 4.4548 8.3347 123.7016 55.8433 33.3599 171.1905 3 V 4.8470 9.8403 119.1902 59.7305 37.0255 174.7124 4 I 4.9229 8.7811 124.0935 59.0072 38.1376 175.3786 5 L 4.1570 8.2412 127.8372 55.5612 42.6589 175.5363 6 L 4.7044 8.3339 116.2145 55.9532 43.7360 179.4575 7 E 4.2892 8.1003 121.0236 56.5523 30.4724 173.8413 8 P 5.7210 0.0000 0.0000 61.3707 33.6482 174.4395 9 L 4.7422 7.7975 120.0147 53.1311 46.2518 175.6066 10 E 4.0447 8.5842 119.7517 57.0846 30.0205 175.5627 11 N 4.1108 7.9698 119.7768 53.5110 38.7276 173.9456 12 L 4.5626 7.5367 115.4263 56.0043 43.4623 174.2748 13 G 4.1752 7.9018 118.1108 45.8955 0.0000 171.3582 14 D 4.4603 7.7592 120.3438 54.4177 40.3401 175.9075 15 V 3.7473 8.1461 123.7155 62.2091 32.0061 177.7530 16 G 3.9843 8.3707 107.9955 46.3741 0.0000 174.1001 17 Q 4.1645 7.9927 122.2729 56.0561 30.2617 175.0059 18 V 4.5891 8.2919 125.7925 62.1493 32.8817 175.3319 19 V 4.6968 8.6186 125.9521 60.3883 35.0494 172.8510 20 D 5.3060 8.6498 122.7253 52.8779 40.7233 175.8024 21 V 4.6029 8.3651 113.9351 59.2733 36.7909 174.8629 22 K 4.0049 8.6615 123.2851 56.1068 32.9277 175.4477 23 P 4.3789 0.0000 0.0000 65.9208 31.1236 178.4534 24 G 3.8385 8.2466 103.6467 48.5230 0.0000 174.1006 25 Y 4.2683 8.3259 121.5135 61.1227 38.7319 177.5215 26 A 3.8530 8.3741 119.6468 56.2637 18.2410 179.4565 27 R 3.9289 8.3445 117.0447 58.4725 30.5571 178.1176 28 N 4.9484 7.8091 113.0725 53.7830 40.1825 173.5504 29 Y 4.3982 8.2136 119.4310 57.8258 41.0828 176.8812 30 L 3.6811 7.0162 116.9536 58.1575 42.8393 179.3575 31 L 3.8871 7.9125 121.4623 57.9405 42.2545 177.3960 32 P 4.3178 0.0000 0.0000 65.8666 31.2736 178.3981 33 R 4.1270 8.0341 115.8299 58.8495 30.2250 177.1940 34 G 3.9247 7.8239 102.8983 46.6763 0.0000 175.2723 35 L 4.1535 7.6230 120.2386 54.2838 42.0536 176.2339 36 A 4.5596 6.7975 119.2746 52.0118 22.0810 174.6385 37 V 4.5243 7.6788 117.4551 61.1202 35.8561 174.2556 38 L 4.5627 8.4198 121.8594 53.4954 42.3798 178.7300 39 A 4.5105 8.6524 126.8960 51.5561 17.0395 178.3674 40 T 3.9192 7.9684 110.6081 62.7717 69.5853 174.9121 41 E 3.6300 8.9920 123.8803 59.7920 28.7717 179.7701 42 S 4.1055 7.9812 112.5381 61.5918 62.6281 175.8794 43 N 4.6448 8.5126 119.4316 55.9276 37.7276 177.3160 44 L 3.9980 8.5568 121.7897 57.7646 41.7405 179.6568 45 K 4.0622 7.8538 118.0577 59.6287 33.0509 178.8676 46 A 3.9940 7.5293 122.2652 54.5744 18.0154 179.5115 47 L 3.8460 7.7678 118.6708 58.4618 42.0685 178.5950 48 E 3.5005 7.5597 116.4065 59.0203 29.4518 178.0322 49 A 4.3199 7.8238 119.1949 53.7155 19.3388 179.4706 50 R 4.0687 7.7388 116.8060 59.3829 30.0728 178.8547 51 I 3.7857 8.1750 115.3714 62.4838 37.1544 177.5131 52 R 4.1338 7.5346 122.2187 56.8306 27.1404 174.7271 53 A 3.5031 7.7334 125.2401 52.4026 15.1998 177.9722 54 Q 4.4922 8.0626 117.0676 55.2171 29.7669 175.6071 55 A 4.7284 7.7727 116.7319 51.4651 20.7517 176.8391 56 K 4.4998 7.7705 113.2820 57.0562 34.9342 178.4732 57 R 3.8634 7.6488 119.9006 58.7742 30.1172 177.0545 58 L 4.4774 7.9078 116.7363 55.0128 41.9126 176.0298 59 A 4.7643 7.4934 119.5732 52.2467 19.8268 177.7992 60 E 4.5032 7.9515 122.2554 59.4730 30.9930 177.5819 61 R 4.3239 7.9338 113.8898 56.9418 30.2712 176.4380 62 K 4.6250 8.0030 118.4718 56.0644 32.8872 175.7597 63 A 4.5376 8.1079 118.3147 53.3070 20.7447 178.1059 64 E 4.2661 8.1330 113.0981 57.2632 29.9862 177.8282 65 A 4.4050 7.9377 120.3442 52.9872 18.9995 177.4171 66 E 4.5932 8.1043 113.3603 56.0419 31.2982 176.5455 67 R 4.6196 8.6308 118.2575 52.6968 29.6406 175.7020 68 L 5.4519 7.3004 133.1196 56.2134 41.5382 174.3903 69 K 4.2912 7.7522 117.9964 57.5323 32.1938 176.4377 70 E 4.6342 8.0518 115.7106 56.7696 30.6422 176.0383 71 I 4.2924 7.6239 112.8672 60.9646 39.0545 176.9670 72 L 4.6795 7.8122 118.3591 54.3570 42.2196 176.7334 73 E 4.6423 8.0176 118.1257 55.6493 30.4040 175.2620 74 N 4.7810 7.9081 112.5051 55.2807 40.7211 174.8976 75 L 4.1842 7.4974 118.8804 55.0843 42.7048 175.6113 76 T 4.7453 7.9725 112.4729 60.1984 72.0435 173.4922 77 L 4.2025 7.9045 120.5495 56.7207 42.2162 174.2527 78 T 4.1924 7.7911 122.0701 62.7092 68.0558 171.3248 79 I 4.5146 7.8802 126.4275 57.8424 40.1256 175.7000 80 P 4.9869 0.0000 0.0000 62.3279 28.6831 177.1887 81 V 3.7003 7.6286 119.7691 62.9883 32.7051 176.5691 82 R 4.3753 8.3819 127.9347 55.1738 30.1832 174.7978 83 A 4.8509 8.0356 131.8281 52.2626 22.6054 175.3477 84 G 4.2847 8.7042 103.3382 46.4519 0.0000 173.1783 85 E 3.6425 9.5259 121.5938 57.5025 31.1059 177.4352 86 T 4.1327 9.3346 126.7859 64.5716 67.6514 177.1658 87 K 4.2123 9.2064 130.2342 57.4612 33.9708 176.0745 88 I 4.7184 7.7553 126.4378 61.7956 35.8080 177.4772 89 Y 4.6430 8.3081 121.1409 59.3379 42.7070 174.8772 90 G 4.0383 8.3934 105.6959 50.6638 0.0000 175.1884 91 S 3.5137 7.3225 110.6931 56.1914 64.0511 173.4024 92 V 3.9407 8.3308 124.5929 61.4730 31.9502 176.2336 93 T 4.5299 8.5714 115.4800 59.8060 72.1973 175.4511 94 A 3.8231 8.4400 123.3603 55.3706 18.2556 180.2890 95 K 3.9860 7.9965 116.6913 59.6044 32.1221 179.0307 96 D 4.8437 7.5870 119.3308 57.1240 40.6421 178.5551 97 I 3.6540 8.1793 119.5820 64.4809 37.1592 177.9791 98 A 4.1684 8.0296 120.3559 55.8802 19.1683 178.8335 99 E 3.5454 8.5158 115.9910 59.5000 30.8429 177.2431 100 A 4.6077 8.6993 124.9998 49.8264 17.5516 176.2524 101 L 4.2702 7.1827 122.8583 55.1402 48.0439 175.3397 102 S 5.0972 7.9495 110.9903 57.6763 62.3631 174.2500 103 R 4.6071 7.5637 114.8375 56.5994 32.9944 176.0755 104 Q 4.1494 8.2515 117.9842 58.3036 29.3570 174.7841 105 H 4.7662 8.6728 110.2233 57.9587 31.3816 172.7161 106 G 3.1597 7.0639 106.3769 44.7526 0.0000 172.5072 107 V 4.4583 8.2743 122.7838 61.9518 35.3823 174.0550 108 T 4.6689 8.0661 121.3842 62.5252 70.5210 173.6848 109 I 4.4007 7.6064 122.3344 60.7049 41.3088 173.9034 110 D 4.6697 8.6244 122.2612 52.8576 40.9686 176.0870 111 P 4.3781 0.0000 0.0000 64.6911 31.1095 176.7966 112 K 4.3623 7.8433 117.5481 57.5963 33.5093 177.5938 113 R 4.2528 7.8715 116.1810 56.4731 29.5096 177.1224 114 L 4.3215 7.6882 117.0577 54.7427 42.4228 176.4636 115 A 3.6872 7.5880 121.2104 53.3890 15.8207 178.5437 116 L 4.5341 7.3147 122.8338 52.3835 42.2298 174.7886 117 E 4.0939 8.5772 122.5714 58.5843 29.8247 178.1086 118 K 4.6567 7.4514 116.1811 53.8966 36.2103 174.6685 119 P 4.3345 0.0000 0.0000 63.0346 31.5286 177.9353 120 I 2.7763 8.1094 121.4469 60.1021 35.9650 174.0307 121 K 3.7221 8.7053 123.8373 56.5686 30.7046 174.7683 122 E 4.9065 7.4599 115.4086 55.6803 32.6070 175.7367 123 L 4.2785 8.1183 125.5856 54.5829 42.7486 175.6958 124 G 3.6021 7.7780 104.3189 44.5772 0.0000 172.2167 125 E 4.7826 7.7825 117.3083 54.9025 28.6590 173.6221 126 Y 4.3359 8.9939 119.8176 56.9295 39.1427 175.3663 127 V 4.3221 8.1484 127.9240 61.6685 29.3109 176.6516 128 L 4.5253 7.9746 127.2037 54.6761 42.8589 176.4760 129 T 4.7575 8.1917 117.4139 63.7245 72.8211 173.4014 130 Y 5.1501 7.3479 125.6103 58.2927 41.5592 174.0293 131 K 4.1873 6.6147 115.6111 56.1977 36.2411 172.5761 132 P 4.7004 0.0000 0.0000 63.2402 34.6832 177.1125 133 H 3.7858 8.5573 114.8182 55.7670 29.7512 174.0962 134 P 4.2173 0.0000 0.0000 61.7035 30.3402 175.0827 135 E 4.3241 8.3391 122.0778 56.2217 30.5083 177.4904 136 V 4.4789 8.3166 120.9008 59.1328 33.4704 171.9996 137 P 4.6812 0.0000 0.0000 63.1207 32.4023 175.1855 138 I 4.7844 8.3357 123.1941 58.7678 39.9985 174.5081 139 Q 4.6947 8.5931 127.0754 54.9582 31.5726 173.8669 140 L 4.8619 9.7333 126.0391 53.4189 45.4434 175.4369 141 K 4.9077 8.6906 126.6587 55.0248 33.1593 175.8563 142 V 4.2025 8.2248 119.5598 60.9532 32.0350 175.9309 143 S 4.7622 8.4645 120.5495 56.1559 65.0861 174.7120 144 V 4.1065 8.1699 125.6130 63.7962 31.9639 175.0410 145 V 3.3172 8.3072 119.5321 62.3428 31.6507 172.0326 *146 A 4.1219 8.3388 124.0816 52.4573 18.7144 176.6866 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 8.16 4.54 0.00 1.96 2.43 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 2 K 8.33 4.45 0.00 1.77 1.75 0.00 1.63 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.54 1.49 7.81 3 V 9.84 4.85 2.21 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 0.89 0.00 0.00 1.07 0.00 0.00 4 I 8.78 4.92 1.88 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 1.24 1.14 0.92 0.00 0.00 5 L 8.24 4.16 0.00 1.57 1.66 1.01 0.55 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 6 L 8.33 4.70 0.00 1.42 1.52 0.95 0.97 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 7 E 8.10 4.29 0.00 1.83 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 2.32 2.39 0.00 8 P 0.00 5.72 0.00 2.07 2.03 0.00 3.35 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.82 0.00 9 L 7.80 4.74 0.00 1.96 1.66 1.04 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 10 E 8.58 4.04 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 2.38 2.24 0.00 11 N 7.97 4.11 0.00 2.92 2.81 0.00 0.00 7.03 7.66 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 12 L 7.54 4.56 0.00 1.84 1.74 1.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.90 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 0.00 0.00 0.00 14 D 7.76 4.46 0.00 3.09 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 15 V 8.15 3.75 2.44 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 0.70 0.00 0.00 0.95 0.00 0.00 16 G 8.37 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 17 Q 7.99 4.16 0.00 2.18 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 18 V 8.29 4.59 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 0.87 0.00 0.00 0.94 0.00 0.00 19 V 8.62 4.70 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 0.75 0.00 0.00 0.95 0.00 0.00 20 D 8.65 5.31 0.00 2.71 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 21 V 8.37 4.60 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 0.72 0.00 0.00 1.13 0.00 0.00 22 K 8.66 4.00 0.00 1.82 1.75 0.00 1.63 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.52 1.54 7.81 23 P 0.00 4.38 0.00 2.22 2.14 0.00 3.70 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 2.14 2.21 0.00 24 G 8.25 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 0.00 0.00 0.00 25 Y 8.33 4.27 0.00 2.97 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 26 A 8.37 3.85 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 27 R 8.34 3.93 0.00 1.82 2.04 0.00 3.13 0.00 0.00 3.23 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.86 0.00 28 N 7.81 4.95 0.00 2.90 2.87 0.00 0.00 6.71 7.31 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 29 Y 8.21 4.40 0.00 2.64 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 30 L 7.02 3.68 0.00 1.68 1.55 1.09 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.91 3.89 0.00 1.72 1.73 0.93 0.93 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 32 P 0.00 4.32 0.00 2.03 2.06 0.00 3.66 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.16 0.00 33 R 8.03 4.13 0.00 1.43 1.72 0.00 2.40 0.00 0.00 2.91 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.36 0.00 34 G 7.82 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 0.00 0.00 0.00 35 L 7.62 4.15 0.00 1.66 1.68 0.76 0.68 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 36 A 6.80 4.56 1.21 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 37 V 7.68 4.52 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 0.96 0.00 0.00 0.92 0.00 0.00 38 L 8.42 4.56 0.00 1.56 1.58 0.92 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 39 A 8.65 4.51 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 40 T 7.97 3.92 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 41 E 8.99 3.63 0.00 2.03 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 0.00 2.41 2.39 0.00 42 S 7.98 4.11 0.00 3.88 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 43 N 8.51 4.64 0.00 2.99 2.85 0.00 0.00 7.07 7.30 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 44 L 8.56 4.00 0.00 1.75 1.73 0.98 0.09 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 45 K 7.85 4.06 0.00 1.97 2.06 0.00 1.33 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.45 7.81 46 A 7.53 3.99 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 47 L 7.77 3.85 0.00 1.78 1.92 0.92 1.00 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 48 E 7.56 3.50 0.00 2.10 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 2.33 2.49 0.00 49 A 7.82 4.32 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 50 R 7.74 4.07 0.00 2.04 1.98 0.00 3.13 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 51 I 8.18 3.79 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 1.18 0.74 0.91 0.00 0.00 52 R 7.53 4.13 0.00 1.81 1.89 0.00 3.40 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 53 A 7.73 3.50 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 54 Q 8.06 4.49 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.77 0.00 0.00 0.00 0.00 0.00 2.26 2.27 0.00 55 A 7.77 4.73 1.23 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 0.00 0.00 56 K 7.77 4.50 0.00 1.95 2.02 0.00 1.39 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.43 7.81 57 R 7.65 3.86 0.00 1.86 2.13 0.00 3.08 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 58 L 7.91 4.48 0.00 1.63 1.62 0.91 0.91 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 59 A 7.49 4.76 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 60 E 7.95 4.50 0.00 2.11 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 2.22 2.41 0.00 61 R 7.93 4.32 0.00 1.81 2.02 0.00 3.26 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 62 K 8.00 4.62 0.00 1.65 1.74 0.00 1.74 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.30 1.30 7.81 63 A 8.11 4.54 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 64 E 8.13 4.27 0.00 2.07 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 2.47 2.41 0.00 65 A 7.94 4.40 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 66 E 8.10 4.59 0.00 1.96 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 2.25 0.00 67 R 8.63 4.62 0.00 1.83 1.87 0.00 3.36 0.00 0.00 3.16 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 68 L 7.30 5.45 0.00 1.79 1.93 0.91 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 69 K 7.75 4.29 0.00 2.02 1.82 0.00 1.81 0.00 0.00 1.72 0.00 0.00 3.17 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.63 7.81 70 E 8.05 4.63 0.00 1.97 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 2.21 2.20 0.00 71 I 7.62 4.29 1.86 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 1.27 0.77 0.94 0.00 0.00 72 L 7.81 4.68 0.00 1.60 1.62 0.89 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 73 E 8.02 4.64 0.00 1.97 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 2.22 2.34 0.00 74 N 7.91 4.78 0.00 2.70 2.80 0.00 0.00 6.91 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 75 L 7.50 4.18 0.00 1.58 1.96 0.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 76 T 7.97 4.75 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 77 L 7.90 4.20 0.00 1.67 1.73 0.90 0.80 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 78 T 7.79 4.19 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 1.22 0.00 0.00 79 I 7.88 4.51 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 1.36 1.53 0.94 0.00 0.00 80 P 0.00 4.99 0.00 1.94 2.05 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 81 V 7.63 3.70 2.25 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 0.76 0.00 0.00 0.97 0.00 0.00 82 R 8.38 4.38 0.00 1.76 1.81 0.00 3.25 0.00 0.00 3.08 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.47 0.00 83 A 8.04 4.85 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 84 G 8.70 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 85 E 9.53 3.64 0.00 2.06 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 2.26 2.33 0.00 86 T 9.33 4.13 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 1.34 0.00 0.00 87 K 9.21 4.21 0.00 1.73 1.68 0.00 1.59 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.45 7.81 88 I 7.76 4.72 1.91 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.81 1.00 0.00 0.00 89 Y 8.31 4.64 0.00 3.09 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 90 G 8.39 4.04 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 0.00 91 S 7.32 3.51 0.00 4.27 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 92 V 8.33 3.94 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 0.76 0.00 0.00 0.93 0.00 0.00 93 T 8.57 4.53 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 94 A 8.44 3.82 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 8.00 3.99 0.00 1.81 1.87 0.00 1.67 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.53 7.81 96 D 7.59 4.84 0.00 2.93 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 97 I 8.18 3.65 2.00 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 1.45 0.65 0.90 0.00 0.00 98 A 8.03 4.17 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 99 E 8.52 3.55 0.00 2.33 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 2.38 0.00 100 A 8.70 4.61 1.23 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 0.00 0.00 101 L 7.18 4.27 0.00 1.70 1.82 0.85 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 102 S 7.95 5.10 0.00 3.95 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 0.00 103 R 7.56 4.61 0.00 1.76 1.87 0.00 3.27 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.74 0.00 104 Q 8.25 4.15 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.83 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 105 H 8.67 4.77 0.00 3.11 3.23 0.00 5.76 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 0.00 106 G 7.06 3.16 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 V 8.27 4.46 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 0.91 0.00 0.00 0.93 0.00 0.00 108 T 8.07 4.67 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 1.22 0.00 0.00 109 I 7.61 4.40 1.92 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.03 0.93 0.00 0.00 110 D 8.62 4.67 0.00 2.82 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 0.00 111 P 0.00 4.38 0.00 2.18 2.21 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 112 K 7.84 4.36 0.00 1.82 1.86 0.00 1.66 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.44 1.44 7.81 113 R 7.87 4.25 0.00 1.83 1.33 0.00 3.09 0.00 0.00 3.10 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 114 L 7.69 4.32 0.00 1.69 1.76 1.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.59 3.69 1.33 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 0.00 0.00 116 L 7.31 4.53 0.00 1.56 1.57 0.92 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.58 4.09 0.00 2.09 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 0.00 2.25 2.33 0.00 118 K 7.45 4.66 0.00 1.73 1.63 0.00 1.65 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.40 1.39 7.81 119 P 0.00 4.33 0.00 2.15 2.11 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.97 0.00 120 I 8.11 2.78 1.80 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.27 0.84 0.00 0.00 121 K 8.71 3.72 0.00 1.86 1.83 0.00 1.83 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.40 7.81 122 E 7.46 4.91 0.00 2.01 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 2.08 2.13 0.00 123 L 8.12 4.28 0.00 1.75 1.65 1.09 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.78 3.60 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 0.00 125 E 7.78 4.78 0.00 1.72 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 2.12 2.19 0.00 126 Y 8.99 4.34 0.00 3.01 2.86 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 0.00 0.00 0.00 0.00 127 V 8.15 4.32 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 0.82 0.00 0.00 0.97 0.00 0.00 128 L 7.97 4.53 0.00 1.73 1.59 0.92 0.74 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 0.00 129 T 8.19 4.76 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 1.24 0.00 0.00 130 Y 7.35 5.15 0.00 3.04 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 0.00 131 K 6.61 4.19 0.00 1.34 1.44 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.16 1.25 7.81 132 P 0.00 4.70 0.00 2.19 2.02 0.00 3.70 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.89 0.00 133 H 8.56 3.79 0.00 3.33 2.86 0.00 5.77 0.00 0.00 0.00 0.00 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 4.22 0.00 2.09 2.36 0.00 3.95 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.21 0.00 135 E 8.34 4.32 0.00 1.87 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 2.30 2.59 0.00 136 V 8.32 4.48 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 1.10 0.00 0.00 0.92 0.00 0.00 137 P 0.00 4.68 0.00 2.17 2.27 0.00 3.86 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 2.28 2.02 0.00 138 I 8.34 4.78 1.86 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.75 0.92 0.00 0.00 139 Q 8.59 4.69 0.00 2.15 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.86 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 140 L 9.73 4.86 0.00 1.63 1.57 0.95 0.96 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 0.00 141 K 8.69 4.91 0.00 1.76 1.78 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.85 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.69 1.46 7.81 142 V 8.22 4.20 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 0.66 0.00 0.00 1.10 0.00 0.00 143 S 8.46 4.76 0.00 3.88 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 0.00 144 V 8.17 4.11 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 0.82 0.00 0.00 0.95 0.00 0.00 145 V 8.31 3.32 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 0.78 0.00 0.00 0.93 0.00 0.00 *146 A 8.34 4.12 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 * Residues marked with a * may have inaccurate shift predictions.