NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.8667 8.3649 120.3382 53.3270 40.8987 174.3207 6 F 4.8326 8.7097 124.7059 55.1597 41.2218 170.3784 7 E 3.7527 8.4108 121.7976 57.7891 30.6913 174.2376 8 E 3.8078 8.1702 134.9921 55.6075 27.8668 172.8797 9 K 4.6847 9.0144 127.8749 54.4030 34.8554 174.4617 10 M 4.6944 8.6936 125.6534 54.9398 32.3521 174.3157 11 I 4.2815 8.6882 128.0790 61.3512 37.4004 179.4138 12 L 4.1689 9.0779 133.3488 56.2938 43.5182 175.0536 13 I 5.5566 8.5668 126.4060 60.8046 40.0648 174.0451 14 R 4.7299 8.8457 123.4434 53.6012 33.0073 175.6318 15 R 4.4856 7.9428 118.3005 55.0294 28.8622 175.5743 16 T 4.0596 7.8603 114.2497 63.0673 68.8863 172.7769 17 A 4.7381 8.1986 126.2671 50.0633 22.7900 175.3202 18 R 4.5623 8.2461 116.1593 54.5134 32.4021 174.8840 19 M 4.5940 8.4577 121.7026 54.7396 33.1947 175.6375 20 Q 4.4078 8.9325 123.2938 54.1275 32.6711 173.2814 21 A 4.0299 8.4232 126.7944 53.7207 19.0317 176.4477 22 G 4.2139 9.0065 109.4608 44.0633 0.0000 175.3430 23 G 4.1573 7.0653 108.8002 46.0161 0.0000 172.3809 24 R 4.7043 8.3171 120.9250 54.4485 32.0022 175.5462 25 R 4.5441 8.5004 123.9579 55.6923 32.2416 175.1204 26 F 5.0293 8.7381 121.4571 56.4940 42.5241 174.2875 27 R 5.0541 7.1319 122.7623 56.9646 33.8316 174.7290 28 F 4.8833 8.9525 125.8741 57.1136 41.2231 174.7117 29 G 4.4833 9.3554 105.9375 45.0149 0.0000 171.7266 30 A 5.3978 9.0555 122.7684 50.1122 23.0631 174.9554 31 L 4.7176 9.6871 126.1797 53.8891 43.3858 175.2246 32 V 4.7211 8.7403 126.9882 61.1064 34.4869 174.4440 33 V 4.7175 8.4940 125.6427 61.1210 34.2786 174.4653 34 V 4.7894 8.1424 126.0393 61.4050 35.3409 174.1315 35 G 4.3718 8.2927 110.6962 45.3755 0.0000 174.1790 36 D 4.5800 9.4353 122.4336 54.6254 40.1217 177.6622 37 R 4.3196 8.5559 117.9169 56.1596 28.3420 176.9924 38 Q 4.3946 10.7000 117.4869 55.6759 30.1702 175.5630 39 G 3.8056 7.5009 113.8331 45.3589 0.0000 172.0342 40 R 5.1863 7.8308 120.0419 54.4349 33.8952 175.1290 41 V 4.7224 8.0272 114.8134 60.2316 36.9051 173.4774 42 G 4.6195 9.8171 113.1591 44.1722 0.0000 171.4971 43 L 4.8365 8.4576 129.5096 53.4161 43.0633 175.8783 44 G 4.3477 8.8585 113.3273 44.3314 0.0000 170.8028 45 F 5.7632 8.8745 124.1149 56.2818 42.0381 174.1431 46 G 4.1473 8.9278 111.9401 44.6258 0.0000 171.2215 47 K 5.1670 8.0274 119.3403 54.7037 36.3560 175.0408 48 A 4.4474 8.4658 121.3713 50.5276 23.0969 175.8357 49 P 4.4092 0.0000 0.0000 63.4451 32.1042 175.8532 50 E 4.3838 8.9406 118.5318 54.0619 33.0230 176.4415 51 V 3.3741 7.3610 122.3787 66.3999 31.5664 176.0334 52 P 3.9057 0.0000 0.0000 66.3753 31.0057 177.8300 53 L 3.8121 8.0742 116.0186 58.3290 41.9262 179.3271 54 A 4.2122 8.1843 119.4941 55.5844 18.2628 179.7901 55 V 3.5711 7.9425 115.3715 66.4372 31.9202 177.5630 56 Q 4.0615 8.3568 119.1709 59.1462 28.9787 178.1298 57 K 3.9289 9.2603 121.2663 59.6982 32.2380 178.3050 58 A 4.3547 8.4320 120.9789 55.2671 18.3194 179.7732 59 G 3.6454 8.3062 104.3999 48.3302 0.0000 174.5894 60 Y 4.1214 8.2046 121.1477 61.1573 38.4589 177.7716 61 Y 3.8745 7.8032 116.9973 60.4735 38.2532 178.8555 62 A 4.0363 7.6366 121.8006 55.2636 18.5216 179.8221 63 R 3.4961 7.7772 114.9172 58.7744 30.1689 178.3253 64 R 4.2822 7.0777 116.5586 56.3349 31.3037 176.0311 65 N 4.8826 8.6533 117.3422 52.7077 40.0605 172.3500 66 M 5.8700 8.4766 121.7179 52.0598 35.7142 174.9617 67 V 4.6210 7.9235 119.5527 59.5499 35.4734 174.2644 68 E 4.4212 8.8335 121.5396 56.5353 30.2582 175.9993 69 V 4.1407 8.6541 125.9620 59.7358 32.4975 176.1523 70 P 4.4933 0.0000 0.0000 61.4811 29.9408 177.4051 71 L 4.1012 7.8428 118.5158 55.9869 41.8288 178.8292 72 Q 4.3890 8.1445 127.7064 53.7949 27.9619 176.0224 73 N 4.6004 8.2121 114.8049 54.7831 37.7992 173.5665 74 G 4.1601 8.2374 99.6843 46.3914 0.0000 172.1395 75 T 4.4793 7.4425 118.5698 60.4556 69.3316 173.3601 76 I 4.5242 8.2289 118.9228 58.3493 40.5352 172.0175 77 P 4.1876 0.0000 0.0000 65.8120 31.1294 176.4580 78 H 5.0827 7.5902 114.1497 52.7315 31.6834 171.9113 79 E 4.9586 8.5534 117.9769 55.3611 31.2390 175.8145 80 I 4.7902 8.4632 115.1550 59.5011 41.8494 173.6280 81 E 5.0940 8.7495 121.8865 54.6979 32.3460 175.3091 82 V 4.4145 8.7306 124.8081 61.0843 34.2809 173.8422 83 E 4.7752 8.9021 127.3711 54.9842 30.8866 176.3403 84 F 4.8539 9.6216 126.4433 56.0275 40.8987 175.3631 85 G 3.7481 8.0856 118.3424 45.0218 0.0000 172.5595 86 A 4.4167 8.6151 129.2900 51.6690 19.7852 176.5917 87 S 4.8996 7.6095 112.8322 56.9183 64.6601 173.5388 88 K 5.1120 8.6853 125.7174 54.9157 35.9995 174.3465 89 I 4.9465 8.1077 121.8717 60.0107 41.6758 173.5993 90 V 5.0735 8.8012 121.6659 59.5942 35.4423 174.7142 91 L 4.9584 8.8876 122.8110 52.9660 45.6163 175.4326 92 K 4.7358 9.4452 126.0713 53.5380 34.6615 173.7794 93 P 4.7444 0.0000 0.0000 63.2805 32.1855 174.9285 94 A 4.8114 8.1362 121.1880 50.3777 22.7630 175.3307 95 A 4.2667 8.4653 120.9480 50.8783 19.3926 175.9309 96 P 5.1684 0.0000 0.0000 63.8380 31.8424 176.7072 97 G 3.8869 9.1968 108.1714 47.0594 0.0000 174.2680 98 T 4.2245 9.1019 115.4264 65.1167 70.7591 174.6382 99 G 3.7898 7.7933 106.0513 44.2076 0.0000 172.1891 100 V 4.5484 7.7035 116.1500 60.8443 30.9153 174.7571 101 I 4.0835 8.1258 115.7317 60.6092 37.8501 175.4526 102 A 5.5150 7.5608 128.5396 50.5328 22.7920 175.4515 103 G 3.7733 8.8712 106.9676 44.6088 0.0000 174.7204 104 A 4.1269 8.5319 121.4649 53.5583 18.2965 177.7658 105 V 4.2147 7.8564 114.6806 63.7970 33.4682 176.0229 106 P 4.3400 0.0000 0.0000 65.4393 30.8014 177.4773 107 R 3.9992 7.8446 118.8565 58.4872 29.9652 177.8205 108 A 4.0719 7.7923 121.3786 55.0390 18.7223 178.7521 109 I 4.0242 7.5702 117.6984 63.7212 37.9379 177.8567 110 L 4.0140 7.8049 119.3021 57.6274 41.3815 179.6009 111 E 3.8873 8.7738 119.8015 59.4258 29.7506 178.8511 112 L 4.0670 7.8970 117.7909 57.1629 41.8407 179.0454 113 A 4.0855 8.0343 121.1881 52.8228 19.1446 177.0307 114 G 4.3240 8.2184 104.0689 47.7772 0.0000 172.2892 115 V 4.5952 7.4365 116.0397 61.4222 34.7130 174.7514 116 T 4.3555 9.1913 117.0609 64.4345 71.1360 173.4214 117 D 5.5562 7.7967 122.4501 51.6284 43.3278 174.6152 118 I 4.7771 7.9339 123.1491 59.4609 41.9350 173.1516 119 L 4.8240 9.2127 130.2195 54.0324 43.5618 175.8945 120 T 5.0262 8.0144 112.0653 58.7987 73.1886 172.2970 121 K 4.4546 7.9763 117.2598 56.0457 35.6303 172.8618 122 E 5.0120 8.4096 127.0308 54.9353 31.7234 175.0742 123 L 4.6538 8.4182 123.3543 53.2089 45.5322 177.3035 124 G 3.6936 8.6974 107.3149 46.3377 0.0000 174.7760 125 S 4.1688 9.1299 120.0063 58.3983 62.1855 174.8828 126 R 4.2320 8.4924 126.4325 56.3916 29.7227 176.1889 127 N 4.2638 8.0064 118.2905 53.1529 38.6337 172.7929 128 P 4.0677 0.0000 0.0000 65.9140 31.2353 178.2592 129 I 3.6243 7.5616 117.6000 65.1025 37.5298 178.0657 130 N 4.6022 8.0772 116.2698 56.1712 38.4046 177.5141 131 I 3.8653 8.0929 121.6294 64.1612 37.2463 177.7497 132 A 3.9537 8.7729 122.3858 55.3855 17.9768 178.8768 133 Y 3.7231 8.4509 113.9981 61.2092 37.8354 179.1451 134 A 3.8913 7.6437 119.7088 55.5561 18.6485 179.2400 135 T 3.9595 8.2324 114.4668 67.9688 68.5178 175.5964 136 M 3.9225 8.0925 119.4712 57.7256 31.5694 178.0102 137 E 3.8488 7.7545 124.8275 59.3792 30.5557 179.1337 138 A 4.1934 8.2542 122.1241 54.4424 18.6958 179.2592 139 L 3.8589 7.7667 116.2248 57.9494 41.8185 179.9210 140 R 3.7932 7.9656 116.1362 58.3258 29.8689 176.1727 141 Q 4.5453 7.7689 118.1576 55.9738 29.3724 174.4023 142 L 4.5073 8.5043 117.6864 53.1293 42.2980 176.3684 143 R 4.6289 8.6485 123.1479 54.6004 31.6928 175.9165 144 T 4.4853 8.7280 112.1321 59.9988 70.3727 175.7009 145 K 3.8479 8.7987 124.0287 60.7379 32.0047 177.4793 146 A 4.2480 8.0863 121.0124 53.5441 17.8739 178.0297 147 D 4.4484 7.6326 121.0431 55.0576 40.0964 178.9096 148 V 3.7809 7.9826 120.8290 65.6884 31.3948 177.3844 149 E 3.9970 8.2532 118.4281 59.0954 29.1952 179.2712 150 R 3.8451 8.0633 117.8991 59.7204 30.1427 177.7488 151 L 4.1425 7.4963 117.4078 57.5588 42.3331 178.9046 152 R 4.3177 7.3695 117.2844 55.6623 29.7381 177.4064 153 K 4.2249 7.8228 118.0759 58.8352 32.8725 176.5295 154 G 4.1436 8.2798 103.6958 46.9244 0.0000 173.9485 *155 E 4.1319 8.2554 118.8412 55.9624 30.4399 177.7294 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 5 D 8.36 4.87 0.00 2.85 2.81 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 0.00 0.00 0.00 6 F 8.71 4.83 0.00 2.96 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 7 E 8.41 3.75 0.00 2.03 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 2.35 2.33 0.00 8 E 8.17 3.81 0.00 2.21 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 2.20 2.31 0.00 9 K 9.01 4.68 0.00 1.85 1.63 0.00 1.58 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.33 1.40 7.81 10 M 8.69 4.69 0.00 2.10 2.11 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.59 0.00 11 I 8.69 4.28 1.99 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 1.12 0.57 0.91 0.00 0.00 12 L 9.08 4.17 0.00 1.67 1.50 0.99 0.88 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 13 I 8.57 5.56 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.99 1.07 0.00 0.00 14 R 8.85 4.73 0.00 1.91 2.08 0.00 2.97 0.00 0.00 3.32 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.69 0.00 15 R 7.94 4.49 0.00 1.78 1.90 0.00 2.90 0.00 0.00 3.03 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.57 0.00 16 T 7.86 4.06 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 1.29 0.00 0.00 17 A 8.20 4.74 0.45 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 18 R 8.25 4.56 0.00 1.83 1.95 0.00 2.74 0.00 0.00 3.14 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 19 M 8.46 4.59 0.00 1.88 1.98 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.39 0.00 20 Q 8.93 4.41 0.00 1.99 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.78 0.00 0.00 0.00 0.00 0.00 2.24 2.44 0.00 21 A 8.42 4.03 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 22 G 9.01 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 0.00 0.00 0.00 0.00 23 G 7.07 4.16 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 24 R 8.32 4.70 0.00 1.47 1.76 0.00 3.09 0.00 0.00 2.96 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.63 0.00 25 R 8.50 4.54 0.00 1.98 1.82 0.00 3.11 0.00 0.00 3.21 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.74 0.00 26 F 8.74 5.03 0.00 2.76 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 27 R 7.13 5.05 0.00 1.94 1.86 0.00 3.26 0.00 0.00 3.24 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.45 0.00 28 F 8.95 4.88 0.00 3.07 3.18 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 29 G 9.36 4.48 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 30 A 9.06 5.40 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 31 L 9.69 4.72 0.00 1.45 1.56 0.92 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 32 V 8.74 4.72 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 0.91 0.00 0.00 1.09 0.00 0.00 33 V 8.49 4.72 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 0.75 0.00 0.00 0.92 0.00 0.00 34 V 8.14 4.79 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 0.84 0.00 0.00 0.90 0.00 0.00 35 G 8.29 4.37 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 0.00 36 D 9.44 4.58 0.00 2.79 2.94 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 37 R 8.56 4.32 0.00 2.07 2.31 0.00 3.12 0.00 0.00 3.18 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.61 0.00 38 Q 10.70 4.39 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.39 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 39 G 7.50 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.83 5.19 0.00 2.17 1.85 0.00 3.24 0.00 0.00 3.68 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.70 0.00 41 V 8.03 4.72 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 0.64 0.00 0.00 0.93 0.00 0.00 42 G 9.82 4.62 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 43 L 8.46 4.84 0.00 1.53 1.42 0.96 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 44 G 8.86 4.35 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 0.00 45 F 8.87 5.76 0.00 2.97 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 46 G 8.93 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 0.00 0.00 0.00 0.00 47 K 8.03 5.17 0.00 1.51 1.95 0.00 1.30 0.00 0.00 1.48 0.00 0.00 2.33 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.10 0.91 7.81 48 A 8.47 4.45 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 49 P 0.00 4.41 0.00 2.11 2.20 0.00 3.76 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 2.08 2.16 0.00 50 E 8.94 4.38 0.00 1.88 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 2.04 1.99 0.00 51 V 7.36 3.37 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 0.96 0.00 0.00 0.25 0.00 0.00 52 P 0.00 3.91 0.00 2.14 1.95 0.00 3.46 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 53 L 8.07 3.81 0.00 1.73 1.70 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 54 A 8.18 4.21 1.53 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 55 V 7.94 3.57 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 0.87 0.00 0.00 1.04 0.00 0.00 56 Q 8.36 4.06 0.00 2.14 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.38 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 57 K 9.26 3.93 0.00 1.87 2.15 0.00 1.76 0.00 0.00 1.88 0.00 0.00 3.19 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.93 1.64 7.81 58 A 8.43 4.35 1.66 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 0.00 0.00 59 G 8.31 3.65 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 0.00 0.00 0.00 60 Y 8.20 4.12 0.00 2.93 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 61 Y 7.80 3.87 0.00 3.20 2.93 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 0.00 0.00 0.00 62 A 7.64 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 63 R 7.78 3.50 0.00 1.72 1.94 0.00 3.21 0.00 0.00 3.21 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.84 0.00 64 R 7.08 4.28 0.00 1.34 1.87 0.00 2.99 0.00 0.00 3.01 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.55 0.00 65 N 8.65 4.88 0.00 2.71 2.51 0.00 0.00 6.87 7.65 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 66 M 8.48 5.87 0.00 1.77 1.80 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.14 0.00 67 V 7.92 4.62 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 0.80 0.00 0.00 0.90 0.00 0.00 68 E 8.83 4.42 0.00 1.98 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 2.27 2.36 0.00 69 V 8.65 4.14 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 0.77 0.00 0.00 1.01 0.00 0.00 70 P 0.00 4.49 0.00 2.09 2.06 0.00 3.74 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.24 0.00 71 L 7.84 4.10 0.00 1.63 1.68 1.10 1.05 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 72 Q 8.14 4.39 0.00 2.03 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.45 0.00 0.00 0.00 0.00 0.00 2.28 2.48 0.00 73 N 8.21 4.60 0.00 2.74 3.20 0.00 0.00 7.31 7.98 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 74 G 8.24 4.16 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 75 T 7.44 4.48 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 1.21 0.00 0.00 76 I 8.23 4.52 1.85 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 1.48 0.79 0.91 0.00 0.00 77 P 0.00 4.19 0.00 2.44 2.18 0.00 3.73 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.02 0.00 78 H 7.59 5.08 0.00 3.25 3.31 0.00 5.51 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.55 4.96 0.00 1.85 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 2.24 2.35 0.00 80 I 8.46 4.79 1.88 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 1.17 0.61 0.88 0.00 0.00 81 E 8.75 5.09 0.00 1.83 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 2.20 2.27 0.00 82 V 8.73 4.41 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 1.08 0.00 0.00 0.99 0.00 0.00 83 E 8.90 4.78 0.00 1.92 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 2.26 2.31 0.00 84 F 9.62 4.85 0.00 2.98 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 85 G 8.09 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 86 A 8.62 4.42 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 87 S 7.61 4.90 0.00 4.05 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 88 K 8.69 5.11 0.00 1.83 1.63 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.36 7.81 89 I 8.11 4.95 1.89 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 1.13 0.95 0.00 0.00 90 V 8.80 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 0.73 0.00 0.00 1.00 0.00 0.00 91 L 8.89 4.96 0.00 1.55 1.49 0.91 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 92 K 9.45 4.74 0.00 1.74 1.63 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.34 7.81 93 P 0.00 4.74 0.00 2.11 2.18 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 1.99 1.98 0.00 94 A 8.14 4.81 1.20 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 95 A 8.47 4.27 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 96 P 0.00 5.17 0.00 2.05 2.01 0.00 3.74 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 2.03 2.06 0.00 97 G 9.20 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 98 T 9.10 4.22 4.42 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 1.21 0.00 0.00 99 G 7.79 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 100 V 7.70 4.55 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 0.87 0.00 0.00 1.01 0.00 0.00 101 I 8.13 4.08 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 1.16 0.73 0.91 0.00 0.00 102 A 7.56 5.51 1.20 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 0.00 103 G 8.87 3.77 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 0.00 0.00 0.00 104 A 8.53 4.13 1.29 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 0.00 0.00 105 V 7.86 4.21 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 1.01 0.00 0.00 0.93 0.00 0.00 106 P 0.00 4.34 0.00 2.30 2.30 0.00 3.78 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 2.25 2.03 0.00 107 R 7.84 4.00 0.00 1.93 2.01 0.00 3.14 0.00 0.00 3.17 7.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 108 A 7.79 4.07 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 0.00 109 I 7.57 4.02 1.85 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 1.61 1.04 0.87 0.00 0.00 110 L 7.80 4.01 0.00 1.68 1.74 0.91 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.77 3.89 0.00 2.10 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 2.31 2.35 0.00 112 L 7.90 4.07 0.00 1.73 1.80 1.05 0.86 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 0.00 113 A 8.03 4.09 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 0.00 114 G 8.22 4.32 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 0.00 115 V 7.44 4.60 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 0.87 0.00 0.00 1.00 0.00 0.00 116 T 9.19 4.36 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 0.00 117 D 7.80 5.56 0.00 2.55 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 0.00 118 I 7.93 4.78 1.86 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 1.33 1.15 0.91 0.00 0.00 119 L 9.21 4.82 0.00 1.72 1.56 0.92 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.01 5.03 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 1.21 0.00 0.00 121 K 7.98 4.45 0.00 1.85 1.64 0.00 1.59 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.26 1.37 7.81 122 E 8.41 5.01 0.00 1.96 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 2.33 2.32 0.00 123 L 8.42 4.65 0.00 1.61 1.54 0.93 0.59 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 0.00 124 G 8.70 3.69 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 0.00 0.00 0.00 125 S 9.13 4.17 0.00 3.81 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 0.00 126 R 8.49 4.23 0.00 1.84 1.92 0.00 3.27 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 127 N 8.01 4.26 0.00 2.73 2.68 0.00 0.00 7.20 7.20 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 0.00 128 P 0.00 4.07 0.00 2.13 1.96 0.00 3.66 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.19 0.00 129 I 7.56 3.62 1.68 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.36 0.47 0.00 0.00 130 N 8.08 4.60 0.00 2.81 2.94 0.00 0.00 7.06 7.36 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 0.00 131 I 8.09 3.87 2.12 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 0.98 0.93 0.00 0.00 132 A 8.77 3.95 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 0.00 133 Y 8.45 3.72 0.00 2.77 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 0.00 0.00 0.00 0.00 134 A 7.64 3.89 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 0.00 135 T 8.23 3.96 4.41 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 1.18 0.00 0.00 136 M 8.09 3.92 0.00 1.89 2.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.74 0.00 137 E 7.75 3.85 0.00 1.83 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 2.23 2.47 0.00 138 A 8.25 4.19 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 0.00 139 L 7.77 3.86 0.00 1.62 1.71 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 140 R 7.97 3.79 0.00 1.74 1.94 0.00 3.31 0.00 0.00 3.12 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 141 Q 7.77 4.55 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.51 0.00 0.00 0.00 0.00 0.00 2.28 2.29 0.00 142 L 8.50 4.51 0.00 1.75 1.60 0.88 0.50 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 0.00 143 R 8.65 4.63 0.00 1.74 1.83 0.00 3.36 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.52 0.00 144 T 8.73 4.49 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 0.00 145 K 8.80 3.85 0.00 1.81 1.90 0.00 1.73 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.52 1.50 7.81 146 A 8.09 4.25 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 0.00 147 D 7.63 4.45 0.00 2.80 2.83 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 0.00 148 V 7.98 3.78 2.27 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 1.00 0.00 0.00 0.92 0.00 0.00 149 E 8.25 4.00 0.00 2.04 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 2.46 0.00 150 R 8.06 3.85 0.00 1.80 2.08 0.00 3.25 0.00 0.00 3.22 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 151 L 7.50 4.14 0.00 1.72 1.72 0.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.37 4.32 0.00 1.87 1.93 0.00 3.17 0.00 0.00 3.22 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 153 K 7.82 4.22 0.00 1.74 1.81 0.00 1.82 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.65 1.39 7.81 154 G 8.28 4.14 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 0.00 *155 E 8.26 4.13 0.00 1.75 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.