NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 G 4.0193 8.2133 109.7599 45.3456 0.0000 174.1307 2 D 4.5204 8.5435 117.1252 54.8091 40.7593 176.2700 3 A 4.0848 8.4773 123.1796 54.4289 19.4051 178.4234 4 F 4.6183 8.1191 112.4276 58.1630 40.0475 176.5150 5 V 3.8738 8.2145 120.7342 62.1208 31.7412 176.1209 6 G 3.8304 7.5816 114.4568 45.2201 0.0000 170.2033 7 T 5.0089 7.4009 115.6742 61.4619 71.3982 173.7516 8 W 5.3416 9.4080 125.8356 54.6543 33.2542 174.3734 9 K 5.1037 9.5714 122.7196 54.9363 34.7871 175.3746 10 L 3.8189 8.0503 124.9768 55.2586 42.2001 176.8091 11 V 4.5012 8.3896 115.8191 61.5442 34.6369 175.6417 12 S 4.7123 7.5884 112.8327 57.0846 66.9539 172.9997 13 S 4.7281 8.1798 113.4181 57.3489 65.3941 173.2467 14 E 4.5615 8.8123 125.5480 55.2418 33.7605 175.1451 15 N 4.1738 9.0603 121.7479 54.6041 38.0404 176.0769 16 F 4.9813 8.3526 120.6988 60.6051 39.5524 175.5004 17 D 4.1179 8.1421 117.2498 57.4542 41.1344 177.8241 18 D 4.3221 8.0587 118.8793 57.1479 40.7331 177.9549 19 Y 4.0926 7.6218 119.0990 60.7765 38.8768 177.7729 20 M 3.6909 7.8800 119.5842 58.1478 32.0867 178.6616 21 K 3.8037 7.9965 118.7771 59.6443 32.0384 178.8632 22 E 3.8999 7.7056 117.7928 59.2482 29.6301 178.6789 23 V 4.0003 7.1675 110.1501 61.9007 31.7902 177.0164 24 G 3.8973 7.6112 106.8714 45.4238 0.0000 173.8559 25 V 3.6907 7.2602 118.6056 61.8433 32.1790 176.9762 26 G 3.8171 8.4723 112.8549 44.3838 0.0000 173.9671 27 F 3.8539 8.9953 124.5083 61.5268 38.9853 177.7063 28 A 4.1758 8.2674 119.3959 55.5055 18.1436 179.4888 29 T 3.9715 7.8457 113.7909 66.3795 68.6945 177.4130 30 R 3.7544 8.1194 120.3364 59.1247 29.9112 178.7256 31 K 3.7199 7.5635 117.9956 59.5244 32.2905 178.0085 32 D 4.4016 7.7499 117.4271 57.3691 41.1175 178.0733 33 A 4.2668 8.2773 120.3016 55.0689 18.4025 179.2428 34 G 3.9500 8.0719 102.5875 46.8862 0.0000 175.0588 35 M 4.3181 7.8709 118.8940 55.1260 32.6467 175.7347 36 A 4.7903 7.3421 121.5440 50.2381 21.5212 176.7825 37 K 4.3793 8.1311 120.1559 53.5430 32.0343 174.4655 38 P 4.8224 0.0000 0.0000 62.5323 33.2281 174.4902 39 N 5.4682 8.8255 117.4756 51.8018 42.1316 173.4281 40 M 4.7789 9.0768 122.9572 53.9321 34.7586 174.3329 41 I 4.9687 8.9237 128.0339 59.7824 39.8098 174.6668 42 I 5.2596 8.8656 128.5672 59.5531 40.1948 175.1200 43 S 5.0636 8.9412 119.8436 57.2790 67.0272 173.1304 44 V 4.8361 8.1297 112.2895 59.9262 35.8585 175.5191 45 N 4.7294 8.8230 121.2392 52.1875 41.4187 175.3023 46 G 3.9171 8.2025 116.4660 46.9617 0.0000 172.5285 47 D 4.6408 8.8035 124.3741 52.5618 39.6935 175.0550 48 L 4.5884 7.6608 123.0714 53.6843 44.0292 175.2132 49 V 4.5241 8.3586 126.4177 61.4267 34.2219 174.4642 50 T 5.1032 8.4873 122.2905 61.8654 72.5676 172.9193 51 I 5.2321 8.8729 126.4837 59.4734 41.0031 174.6375 52 R 5.1316 9.1050 123.3854 54.3046 32.9574 174.0833 53 S 5.8350 8.3571 115.7154 56.0879 65.6169 173.0847 54 E 4.7410 8.6919 123.6246 55.7229 31.7005 174.9291 55 S 4.8354 8.5745 114.9565 57.1448 66.3732 175.6903 56 T 4.2126 8.5358 111.9088 62.7613 68.2038 173.2570 57 H 4.8612 8.1914 118.4820 56.6159 36.2592 173.6201 58 K 4.4156 7.4234 121.5502 53.9775 32.9760 175.0845 59 N 5.1377 8.6708 123.2059 51.7086 41.6895 173.3549 60 T 4.8224 7.8656 112.5706 60.3778 72.9489 171.9693 61 E 5.2028 8.1873 118.1551 55.5956 32.4089 174.9073 62 I 4.8141 8.8411 119.2864 59.2458 41.3396 174.1199 63 S 5.2031 8.6504 120.4156 56.7813 65.5984 173.1149 64 F 4.6498 8.5228 119.1581 55.6967 41.5548 172.9178 65 K 4.8562 8.4704 116.6237 54.1066 35.6895 176.4296 66 L 4.3226 8.7027 123.4013 56.2076 42.1106 177.3783 67 G 3.9382 9.2172 110.5281 45.9897 0.0000 173.2151 68 V 4.3575 7.3708 117.6419 60.2315 33.3322 175.0064 69 E 4.6165 8.8297 128.9368 56.5228 30.3308 175.4611 70 F 5.1173 8.8690 120.1599 55.5621 42.2497 172.6377 71 D 4.9203 8.7797 119.2753 53.4109 41.9474 175.8475 72 E 4.7488 8.9924 123.2935 54.4570 33.6401 174.1996 73 I 4.8478 8.3071 126.7924 59.5444 39.0021 175.6851 74 T 4.0750 8.4640 117.9645 60.7404 69.4808 175.4921 75 A 4.0199 8.4576 124.4037 54.8139 18.4071 178.0302 76 D 4.6594 7.9695 113.1001 53.1963 39.6586 176.0297 77 D 4.5137 7.8928 117.7189 55.7349 38.6135 173.8680 78 R 4.1856 7.7611 118.1949 54.7335 31.1701 175.8521 79 K 4.7088 8.3887 124.5128 55.6924 32.2527 175.6612 80 V 4.6874 8.5205 120.5717 59.3317 35.9974 174.7419 81 K 4.7917 8.6070 121.0201 55.0112 34.0693 176.0128 82 S 5.2577 8.0998 121.1971 56.0117 66.1261 173.4819 83 I 4.7251 7.8634 122.1113 59.8854 41.1610 173.3530 84 I 5.0366 8.5535 130.2551 59.7304 40.1254 174.7869 85 T 4.8714 8.9517 115.8266 60.0948 72.9126 172.8496 86 L 4.8621 8.5601 124.8508 53.8590 41.9579 174.4825 87 D 4.5845 9.0873 125.4627 52.7605 40.6779 175.6484 88 G 4.0475 9.4094 112.9326 46.9588 0.0000 171.5446 89 G 3.9691 8.3240 103.3131 46.1612 0.0000 170.8480 90 A 5.0743 7.6726 121.2545 49.7871 22.5059 175.9981 91 L 4.2887 8.8431 122.7820 54.2728 42.7238 176.3593 92 V 4.5138 8.9861 126.2103 61.2738 33.3061 174.0343 93 Q 4.9695 8.9324 130.3108 54.2406 31.6937 174.1821 94 V 4.8294 8.6145 125.9762 61.2906 34.3291 173.8891 95 Q 5.2051 9.0456 127.4416 54.0941 31.3045 174.8584 96 K 5.3772 8.7931 122.3851 55.0712 36.2805 175.2818 97 W 5.0628 9.1374 118.8952 56.1314 31.8211 174.3160 98 D 4.0463 9.7877 123.1707 55.4637 37.7995 174.9793 99 G 3.7970 8.1260 105.5888 45.4394 0.0000 173.7762 100 K 4.1604 6.7261 119.4138 55.0105 34.0313 174.9247 101 S 5.1846 7.3811 111.5457 58.0717 65.1768 174.3202 102 T 5.0569 9.3372 116.3862 60.8222 71.3606 172.3715 103 T 5.1199 8.6023 121.4980 61.8166 71.7597 173.4412 104 I 4.5737 8.9034 127.4141 59.3588 39.9770 174.3168 105 K 4.8794 8.9229 128.9536 54.6013 34.6257 174.7139 106 R 5.1731 8.8721 127.0269 54.2605 32.7124 175.1824 107 K 5.0477 8.9431 122.2858 55.4599 36.3831 175.7857 108 R 4.4194 8.4058 120.9455 56.4634 31.3933 176.8166 109 D 4.5572 9.1483 122.0297 53.6276 43.4816 177.1841 110 G 3.8958 8.1668 118.9350 46.6767 0.0000 171.7213 111 D 4.9410 9.1279 121.4929 53.5348 41.0824 175.4236 112 K 5.0571 8.0099 119.0078 54.5273 36.0832 174.8808 113 L 4.6341 8.3838 124.3863 53.4092 44.0795 175.1318 114 V 4.4982 8.8813 127.7127 61.5042 33.4492 174.5407 115 V 4.9090 8.6827 127.7594 61.2932 34.2500 174.1735 116 E 5.4853 8.8114 125.7578 53.2933 34.6506 174.4605 *118 V 4.3670 8.0585 118.7265 63.4865 33.3937 174.2133 119 M 4.4111 9.2764 126.5646 54.2925 33.1756 173.7269 120 K 3.8433 9.2755 118.2094 57.0388 31.0039 172.3563 121 G 4.2006 8.6607 117.5543 46.1926 0.0000 171.7144 122 V 4.2374 7.6102 119.0049 61.5333 32.6493 174.7634 123 T 4.9437 8.3682 122.3788 61.7124 72.0371 172.9690 124 S 5.0240 8.3644 119.3945 56.7452 66.0451 172.4369 125 T 5.0275 8.6626 122.3043 61.8069 71.7795 173.0803 126 R 4.8966 8.8325 124.8327 54.2699 33.8036 174.4243 127 V 4.7093 8.0239 124.1964 61.4704 33.9348 174.4541 128 Y 5.3358 9.0309 125.4730 56.6077 41.5074 174.1195 129 E 5.3761 9.4494 117.1029 55.1271 33.2547 175.1184 130 R 4.1984 8.9796 119.8292 55.8143 31.2375 176.6945 131 A 4.1576 7.7879 121.9270 52.5749 19.3967 176.1202 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 G 8.21 4.02 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 0.00 0.00 0.00 0.00 0.00 0.00 2 D 8.54 4.52 0.00 2.79 2.75 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 3 A 8.48 4.08 1.01 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 0.00 0.00 4 F 8.12 4.62 0.00 3.05 3.11 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 0.00 0.00 0.00 0.00 5 V 8.21 3.87 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 0.81 0.00 0.00 1.04 0.00 0.00 6 G 7.58 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 7 T 7.40 5.01 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 1.19 0.00 0.00 8 W 9.41 5.34 0.00 3.15 3.22 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 9 K 9.57 5.10 0.00 1.82 1.96 0.00 1.33 0.00 0.00 1.60 0.00 0.00 2.82 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.53 1.39 7.81 10 L 8.05 3.82 0.00 1.38 1.45 0.08 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.39 4.50 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 0.84 0.00 0.00 0.93 0.00 0.00 12 S 7.59 4.71 0.00 3.77 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 13 S 8.18 4.73 0.00 3.67 3.64 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 14 E 8.81 4.56 0.00 1.90 1.77 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 2.21 2.22 0.00 15 N 9.06 4.17 0.00 2.98 3.01 0.00 0.00 6.86 7.71 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 16 F 8.35 4.98 0.00 3.06 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 17 D 8.14 4.12 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.06 4.32 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 7.62 4.09 0.00 3.17 3.21 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 20 M 7.88 3.69 0.00 1.80 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 1.76 2.02 0.00 21 K 8.00 3.80 0.00 1.90 1.83 0.00 1.65 0.00 0.00 1.56 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.73 7.81 22 E 7.71 3.90 0.00 2.04 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 2.47 2.35 0.00 23 V 7.17 4.00 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 0.48 0.00 0.00 0.75 0.00 0.00 24 G 7.61 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 25 V 7.26 3.69 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 0.71 0.00 0.00 0.82 0.00 0.00 26 G 8.47 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 27 F 9.00 3.85 0.00 3.09 3.05 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 28 A 8.27 4.18 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 29 T 7.85 3.97 4.34 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 1.21 0.00 0.00 30 R 8.12 3.75 0.00 1.58 1.75 0.00 2.95 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 1.49 1.74 0.00 31 K 7.56 3.72 0.00 1.56 2.02 0.00 1.92 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.43 7.81 32 D 7.75 4.40 0.00 3.02 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 33 A 8.28 4.27 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 34 G 8.07 3.95 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 0.00 0.00 0.00 35 M 7.87 4.32 0.00 2.05 2.25 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 3.00 0.00 36 A 7.34 4.79 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 37 K 8.13 4.38 0.00 1.72 1.73 0.00 1.74 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.28 1.40 7.81 38 P 0.00 4.82 0.00 2.18 2.04 0.00 3.52 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 39 N 8.83 5.47 0.00 2.73 2.74 0.00 0.00 6.87 6.94 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 40 M 9.08 4.78 0.00 1.79 1.48 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 41 I 8.92 4.97 1.90 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.79 0.94 0.00 0.00 42 I 8.87 5.26 2.26 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.84 0.98 0.00 0.00 43 S 8.94 5.06 0.00 3.83 3.91 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 0.00 0.00 0.00 44 V 8.13 4.84 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 0.71 0.00 0.00 0.92 0.00 0.00 45 N 8.82 4.73 0.00 2.63 2.66 0.00 0.00 6.82 7.24 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 46 G 8.20 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 47 D 8.80 4.64 0.00 2.76 2.74 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 48 L 7.66 4.59 0.00 1.73 1.57 0.83 0.58 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 49 V 8.36 4.52 0.67 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 0.68 0.00 0.00 0.63 0.00 0.00 50 T 8.49 5.10 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 51 I 8.87 5.23 1.98 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.93 0.91 0.00 0.00 52 R 9.10 5.13 0.00 2.02 1.98 0.00 2.73 0.00 0.00 3.22 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 53 S 8.36 5.83 0.00 4.03 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 E 8.69 4.74 0.00 1.93 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 2.37 2.26 0.00 55 S 8.57 4.84 0.00 3.82 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 56 T 8.54 4.21 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 1.23 0.00 0.00 57 H 8.19 4.86 0.00 3.24 3.41 0.00 5.74 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 K 7.42 4.42 0.00 1.76 1.70 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.13 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.52 7.81 59 N 8.67 5.14 0.00 2.70 2.67 0.00 0.00 6.91 7.54 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 60 T 7.87 4.82 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 1.22 0.00 0.00 61 E 8.19 5.20 0.00 1.95 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.22 0.00 62 I 8.84 4.81 1.99 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.00 1.11 0.00 0.00 63 S 8.65 5.20 0.00 3.66 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 64 F 8.52 4.65 0.00 2.48 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 0.00 0.00 0.00 65 K 8.47 4.86 0.00 1.72 1.71 0.00 1.67 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.55 1.37 7.81 66 L 8.70 4.32 0.00 1.66 1.67 1.10 0.94 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 67 G 9.22 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 68 V 7.37 4.36 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 0.87 0.00 0.00 1.04 0.00 0.00 69 E 8.83 4.62 0.00 2.04 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 2.27 2.43 0.00 70 F 8.87 5.12 0.00 3.11 3.09 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 71 D 8.78 4.92 0.00 2.64 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.99 4.75 0.00 1.98 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.29 0.00 73 I 8.31 4.85 1.87 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 1.40 1.04 0.89 0.00 0.00 74 T 8.46 4.07 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 75 A 8.46 4.02 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 76 D 7.97 4.66 0.00 2.75 2.74 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 77 D 7.89 4.51 0.00 2.87 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 78 R 7.76 4.19 0.00 1.48 1.25 0.00 2.21 0.00 0.00 2.83 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.42 0.00 79 K 8.39 4.71 0.00 1.75 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.45 7.81 80 V 8.52 4.69 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 0.15 0.00 0.00 0.72 0.00 0.00 81 K 8.61 4.79 0.00 1.69 1.63 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.30 1.36 7.81 82 S 8.10 5.26 0.00 2.72 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 83 I 7.86 4.73 1.85 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 1.35 1.48 0.94 0.00 0.00 84 I 8.55 5.04 1.50 0.00 0.00 -0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.40 0.76 0.00 0.00 85 T 8.95 4.87 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 1.23 0.00 0.00 86 L 8.56 4.86 0.00 1.68 1.67 1.06 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 87 D 9.09 4.58 0.00 2.85 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 88 G 9.41 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 89 G 8.32 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 0.00 0.00 0.00 90 A 7.67 5.07 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 91 L 8.84 4.29 0.00 1.21 1.37 0.21 0.68 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 92 V 8.99 4.51 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 1.01 0.00 0.00 0.97 0.00 0.00 93 Q 8.93 4.97 0.00 2.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.52 0.00 0.00 0.00 0.00 0.00 2.18 2.14 0.00 94 V 8.61 4.83 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 0.99 0.00 0.00 0.93 0.00 0.00 95 Q 9.05 5.21 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.54 0.00 0.00 0.00 0.00 0.00 2.15 2.21 0.00 96 K 8.79 5.38 0.00 1.83 1.89 0.00 1.34 0.00 0.00 1.70 0.00 0.00 2.88 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.38 7.81 97 W 9.14 5.06 0.00 3.43 3.20 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 98 D 9.79 4.05 0.00 2.57 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 G 8.13 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 K 6.73 4.16 0.00 0.79 1.02 0.00 1.45 0.00 0.00 1.09 0.00 0.00 2.61 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.04 1.07 7.81 101 S 7.38 5.18 0.00 3.94 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 0.00 102 T 9.34 5.06 4.60 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 1.39 0.00 0.00 103 T 8.60 5.12 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 1.22 0.00 0.00 104 I 8.90 4.57 1.84 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 1.11 0.70 0.86 0.00 0.00 105 K 8.92 4.88 0.00 1.79 1.62 0.00 1.58 0.00 0.00 1.65 0.00 0.00 2.85 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.37 7.81 106 R 8.87 5.17 0.00 1.59 1.75 0.00 2.97 0.00 0.00 3.03 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 107 K 8.94 5.05 0.00 1.82 1.90 0.00 1.32 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.42 7.81 108 R 8.41 4.42 0.00 1.57 1.79 0.00 3.02 0.00 0.00 2.97 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.23 0.00 109 D 9.15 4.56 0.00 2.60 2.48 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 0.00 110 G 8.17 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 0.00 111 D 9.13 4.94 0.00 2.71 2.74 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 0.00 112 K 8.01 5.06 0.00 1.95 1.71 0.00 1.57 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.58 7.81 113 L 8.38 4.63 0.00 0.46 1.03 0.55 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.88 4.50 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 0.85 0.00 0.00 0.92 0.00 0.00 115 V 8.68 4.91 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 0.93 0.00 0.00 0.99 0.00 0.00 116 E 8.81 5.49 0.00 1.87 1.77 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 2.18 2.03 0.00 *118 V 8.06 4.37 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 1.06 0.00 0.00 0.94 0.00 0.00 119 M 9.28 4.41 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.44 0.00 120 K 9.28 3.84 0.00 1.97 2.06 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.33 1.42 7.81 121 G 8.66 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 V 7.61 4.24 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 1.09 0.00 0.00 0.97 0.00 0.00 123 T 8.37 4.94 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 1.20 0.00 0.00 124 S 8.36 5.02 0.00 4.07 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 0.00 125 T 8.66 5.03 4.21 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 1.18 0.00 0.00 126 R 8.83 4.90 0.00 1.64 1.49 0.00 2.85 0.00 0.00 2.41 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.50 0.00 127 V 8.02 4.71 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 1.04 0.00 0.00 0.90 0.00 0.00 128 Y 9.03 5.34 0.00 2.98 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 E 9.45 5.38 0.00 2.11 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 2.28 2.38 0.00 130 R 8.98 4.20 0.00 1.47 1.64 0.00 2.90 0.00 0.00 2.25 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.50 0.00 131 A 7.79 4.16 1.14 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.