NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5832 8.4645 120.1934 54.5070 41.2890 176.1134 3 D 4.9078 8.1637 130.0761 50.5010 41.0442 173.8370 4 S 4.4909 9.6171 118.1935 58.8677 66.3623 174.1689 5 R 4.0489 8.5570 122.3903 59.3661 29.8819 178.7821 6 Y 4.5448 7.9618 120.4964 60.5773 38.9340 177.8546 7 T 3.6522 7.8797 116.4290 66.7012 68.5288 176.7263 8 K 4.0035 8.1085 120.2794 59.2197 32.0336 179.1991 9 F 4.0438 8.4106 121.0114 61.3042 39.4662 177.1827 10 L 4.0076 7.9365 118.5899 58.1298 41.1596 179.6473 11 T 3.8521 7.6539 114.6037 66.6890 68.4686 176.2727 12 Q 4.0430 7.9003 118.4277 57.7007 29.2268 176.1966 13 H 4.6852 7.8526 113.3245 53.6922 31.6941 172.2498 14 H 5.4239 8.2422 118.8502 54.3709 31.8752 172.8446 15 D 4.4572 9.1376 124.9447 52.6670 43.4211 175.5608 16 A 4.4175 8.7693 132.0715 54.7206 18.7397 177.3163 17 K 5.0121 7.5070 116.7495 51.5776 32.4959 175.2357 18 P 4.6748 0.0000 0.0000 62.1293 32.2329 178.6687 19 K 4.1241 8.6834 122.0970 57.1182 32.1389 176.0360 20 G 4.1673 7.1616 103.5946 45.7594 0.0000 173.1272 21 R 4.2582 8.1490 117.5385 55.7844 31.8348 174.3495 22 D 5.2299 7.8608 119.0089 51.4041 42.5666 175.3254 23 D 4.5244 8.9308 119.6391 58.7378 40.7245 179.5317 24 R 4.0281 8.0205 120.7145 61.2969 29.3806 180.0287 25 Y 4.2244 8.3628 119.7973 60.9630 38.8132 177.6580 26 C 4.0535 8.2950 117.3138 60.0504 38.7405 175.9476 27 E 4.1296 8.5034 122.5728 60.0641 29.0481 180.3822 28 R 3.8900 7.8992 120.5040 61.8295 29.5574 180.7822 29 M 3.9683 7.7960 120.1994 58.1047 31.6711 178.8691 30 M 4.0317 7.9009 118.9983 58.0504 32.0385 178.7502 31 K 3.9240 7.6941 119.1653 59.6354 32.2043 179.2099 32 R 3.9608 7.8407 117.1622 58.7810 29.9842 178.2431 33 R 4.2779 7.7768 115.2525 54.9272 30.8223 176.1159 34 S 3.7183 7.8767 112.0443 59.9531 61.1650 171.9681 35 L 4.7605 8.1842 115.1946 54.9132 42.2058 178.2238 36 T 4.5782 8.1665 107.9740 61.9929 69.5898 175.0676 37 S 4.5361 7.6937 118.3780 55.8207 63.0022 176.0225 38 P 4.7986 0.0000 0.0000 60.8959 33.6351 176.6686 39 C 4.3242 8.5818 117.9641 57.2547 40.3014 174.2660 40 K 4.2262 8.8146 128.9936 57.1755 32.1703 177.3387 41 D 4.8402 9.0036 128.3774 56.6442 41.0000 174.7860 42 V 5.0910 7.5918 117.0256 60.1632 34.5640 174.1247 43 N 4.9283 9.1376 122.2931 52.7263 42.3568 172.8156 44 T 4.7884 8.7367 123.1953 61.9608 71.0057 173.4491 45 F 4.8718 8.8785 124.9210 56.0423 41.3339 174.8006 46 I 4.5607 8.7729 124.8097 60.4420 39.0148 175.2711 47 H 5.5335 8.6168 124.0295 54.4745 31.2018 174.8583 48 G 3.9390 8.9307 107.0911 44.6150 0.0000 172.6848 49 N 4.6975 8.4240 114.8635 52.0006 38.6598 176.0082 50 K 4.1450 8.7226 120.4300 59.7421 32.4142 178.9533 51 S 4.1759 8.2174 113.0256 61.6722 62.0326 175.8589 52 N 4.5479 8.8847 118.6769 56.0856 38.5830 177.3378 53 I 3.9265 7.4333 121.9510 64.3759 37.2905 178.4418 54 K 3.8978 8.2248 119.0902 59.4439 31.8602 178.9224 55 A 4.1819 8.0919 119.9400 54.2579 18.3365 179.4683 56 I 3.6364 7.7799 118.8165 64.4412 36.9134 177.2221 57 C 4.6090 8.1617 115.6910 57.8732 34.9199 174.5480 58 G 3.9099 8.2650 109.0197 45.5546 0.0000 176.4917 59 A 4.1763 8.7998 127.9718 53.7519 18.4821 177.7994 60 N 4.8869 8.1727 112.9841 52.7013 38.8943 174.2010 61 G 4.9813 8.0956 104.4005 43.4062 0.0000 172.4981 62 S 4.9959 8.7713 114.4739 55.2356 66.5354 171.8040 63 P 4.7313 0.0000 0.0000 63.3890 31.9857 175.1351 64 Y 4.4554 8.6330 124.3773 56.9142 41.5847 175.3236 65 R 3.4151 8.0844 126.3369 57.3524 29.1213 176.3061 66 E 4.1522 8.6818 117.2455 60.0100 29.8659 177.3477 67 N 4.9340 7.9304 111.0493 52.7197 41.0972 173.1979 68 L 4.9314 7.7036 119.5228 53.2240 45.5691 175.2550 69 R 4.9985 8.6381 117.3337 55.2502 34.7394 174.2324 70 M 4.7468 8.8286 123.8730 53.3170 34.4271 175.3727 71 S 4.6703 8.6430 121.2960 58.6884 63.3534 174.7130 72 K 4.4000 9.0508 122.1425 58.4170 32.4370 177.0429 73 S 4.8090 7.9109 112.5671 55.4271 66.1598 172.2404 74 P 4.3894 0.0000 0.0000 62.4197 32.0906 175.6884 75 F 4.8891 8.8525 119.1270 55.5302 43.5636 174.5896 76 Q 4.9705 9.0479 120.7548 56.4468 29.7580 175.7323 77 V 5.0276 9.0564 116.3932 59.9805 36.8462 174.7675 78 T 5.0670 8.9651 118.6971 62.4302 72.1107 173.1168 79 T 4.7695 8.9785 124.0138 62.4412 70.8982 173.2116 80 C 5.4301 9.2122 123.7258 55.0617 43.8862 172.6729 81 K 5.2733 9.1673 125.7296 54.4690 34.4805 174.7112 82 H 4.3071 9.5232 128.9159 56.5178 30.2532 174.3910 83 T 4.5007 8.2054 115.1465 60.8051 71.3620 174.5497 84 G 3.7348 8.7509 110.8711 44.3489 0.0000 174.9897 85 G 3.8115 7.7261 108.1719 46.5753 0.0000 174.1906 86 S 4.4947 7.5634 117.6481 56.2910 62.4608 178.0879 87 P 4.4629 0.0000 0.0000 63.3185 31.4305 176.2635 88 R 4.7181 7.1545 117.3213 53.4897 31.4093 174.6889 89 P 4.5658 0.0000 0.0000 61.7507 32.0922 174.3828 90 P 4.3482 0.0000 0.0000 62.8457 31.8125 176.7550 91 C 4.6533 8.7652 121.7910 56.1545 39.0214 173.9777 92 Q 4.8604 8.2368 125.2268 54.9028 29.6904 170.7077 93 Y 5.1759 8.9142 121.2853 56.5946 42.2998 175.5073 94 R 5.0024 9.0968 122.3959 55.1740 32.4838 175.0372 95 A 5.1063 9.1399 125.6742 50.2283 20.9967 177.1905 96 S 4.4861 9.1544 114.8603 56.6245 64.9341 172.6040 97 A 4.9462 8.5212 128.8238 51.2790 20.6156 176.0877 98 G 3.9615 8.3178 106.2222 45.9862 0.0000 171.9033 99 F 5.6129 8.9290 121.7304 56.5204 40.9239 174.3316 100 R 4.7721 8.7662 124.0957 54.3064 34.7160 174.8153 101 H 4.7986 9.0332 118.2066 56.1396 29.7333 175.1438 102 V 4.5915 8.7274 113.6125 59.5173 35.8458 174.6990 103 V 4.4273 7.2892 122.0035 60.9146 34.2487 174.3754 104 I 4.9309 8.3834 119.8249 59.1578 41.8425 173.4492 105 A 5.0267 8.6045 123.3007 50.3692 21.4007 175.1216 106 C 5.4505 8.7796 120.0220 55.8712 40.1570 174.2438 107 E 4.6337 8.7536 117.0189 55.5487 33.2308 175.5153 108 N 3.8748 9.8695 121.2953 53.8362 37.4385 174.9350 109 G 3.9025 8.4745 101.9729 45.0491 0.0000 173.9114 110 L 4.5546 7.4582 119.4562 51.4106 44.7968 174.2641 111 P 4.3982 0.0000 0.0000 62.9829 31.5817 177.0683 112 V 4.6108 8.3561 113.5136 60.9082 34.0023 174.8594 113 H 5.0702 7.8263 118.6461 55.0343 33.2248 171.5037 114 F 4.8101 8.6713 126.9937 56.4600 41.2241 174.6811 115 D 4.5089 7.7958 126.3911 53.0047 40.8350 176.7015 116 E 4.2799 8.8093 126.8846 58.5644 29.9051 179.5013 117 S 4.4042 7.9859 112.6387 60.1779 63.5272 175.3683 118 F 4.1513 7.6711 124.5384 61.5031 39.3493 175.4037 *119 F 4.8023 7.5052 121.3268 56.9821 38.8663 177.2225 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 2 D 8.46 4.58 0.00 2.67 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 3 D 8.16 4.91 0.00 2.78 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.62 4.49 0.00 4.06 4.13 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 5 R 8.56 4.05 0.00 1.95 2.10 0.00 3.15 0.00 0.00 3.29 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.72 0.00 6 Y 7.96 4.54 0.00 3.00 3.01 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 7 T 7.88 3.65 4.43 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 1.19 0.00 0.00 8 K 8.11 4.00 0.00 2.12 1.88 0.00 1.79 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.32 7.81 9 F 8.41 4.04 0.00 3.23 3.24 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 10 L 7.94 4.01 0.00 1.75 1.65 0.55 0.88 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 11 T 7.65 3.85 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 1.18 0.00 0.00 12 Q 7.90 4.04 0.00 1.56 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.19 2.34 0.00 13 H 7.85 4.69 0.00 2.01 2.53 0.00 5.56 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 H 8.24 5.42 0.00 3.19 3.31 0.00 5.72 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 D 9.14 4.46 0.00 2.75 2.60 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 16 A 8.77 4.42 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 17 K 7.51 5.01 0.00 1.73 1.57 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.96 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.24 0.96 7.81 18 P 0.00 4.67 0.00 1.77 1.67 0.00 3.22 0.00 0.00 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.21 0.00 19 K 8.68 4.12 0.00 1.80 1.76 0.00 1.83 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.36 1.00 7.81 20 G 7.16 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 0.00 0.00 0.00 0.00 21 R 8.15 4.26 0.00 1.66 1.76 0.00 2.92 0.00 0.00 3.05 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.43 0.00 22 D 7.86 5.23 0.00 2.88 2.79 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 23 D 8.93 4.52 0.00 2.76 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 24 R 8.02 4.03 0.00 1.82 1.94 0.00 3.26 0.00 0.00 3.26 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.25 0.00 25 Y 8.36 4.22 0.00 3.03 3.25 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 26 C 8.29 4.05 0.00 3.32 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 27 E 8.50 4.13 0.00 2.07 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 0.00 2.71 2.63 0.00 28 R 7.90 3.89 0.00 1.83 1.93 0.00 3.27 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 29 M 7.80 3.97 0.00 0.98 1.21 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.71 0.00 30 M 7.90 4.03 0.00 1.78 1.83 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 2.44 0.00 31 K 7.69 3.92 0.00 1.84 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.41 1.47 7.81 32 R 7.84 3.96 0.00 1.97 1.90 0.00 3.32 0.00 0.00 3.22 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.54 0.00 33 R 7.78 4.28 0.00 1.81 1.95 0.00 3.62 0.00 0.00 3.12 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.92 0.00 34 S 7.88 3.72 0.00 3.99 3.88 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 0.00 0.00 0.00 35 L 8.18 4.76 0.00 1.74 1.56 0.76 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 36 T 8.17 4.58 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 1.33 0.00 0.00 37 S 7.69 4.54 0.00 3.59 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 38 P 0.00 4.80 0.00 2.06 2.09 0.00 3.75 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.99 0.00 39 C 8.58 4.32 0.00 2.60 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 40 K 8.81 4.23 0.00 1.79 1.73 0.00 1.74 0.00 0.00 1.63 0.00 0.00 3.11 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.40 7.81 41 D 9.00 4.84 0.00 2.41 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 42 V 7.59 5.09 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 0.87 0.00 0.00 1.01 0.00 0.00 43 N 9.14 4.93 0.00 2.65 2.33 0.00 0.00 6.84 6.54 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 44 T 8.74 4.79 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 1.17 0.00 0.00 45 F 8.88 4.87 0.00 3.05 2.97 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 46 I 8.77 4.56 2.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.50 0.94 0.00 0.00 47 H 8.62 5.53 0.00 3.15 3.42 0.00 5.63 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 G 8.93 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 49 N 8.42 4.70 0.00 3.04 3.03 0.00 0.00 5.61 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 50 K 8.72 4.15 0.00 1.91 1.92 0.00 1.95 0.00 0.00 1.83 0.00 0.00 2.97 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.64 1.58 7.81 51 S 8.22 4.18 0.00 3.98 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 52 N 8.88 4.55 0.00 2.98 3.05 0.00 0.00 7.09 7.02 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 53 I 7.43 3.93 2.09 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 1.43 1.07 0.99 0.00 0.00 54 K 8.22 3.90 0.00 1.97 1.83 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.70 7.81 55 A 8.09 4.18 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 7.78 3.64 1.90 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.22 0.83 0.00 0.00 57 C 8.16 4.61 0.00 3.06 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 58 G 8.27 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 0.00 0.00 0.00 59 A 8.80 4.18 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 60 N 8.17 4.89 0.00 2.95 2.88 0.00 0.00 6.75 7.58 0.00 0.00 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 G 8.10 4.98 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 62 S 8.77 5.00 0.00 3.87 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 63 P 0.00 4.73 0.00 1.95 2.02 0.00 3.62 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 2.02 2.08 0.00 64 Y 8.63 4.46 0.00 2.88 2.64 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 65 R 8.08 3.42 0.00 1.71 1.64 0.00 3.04 0.00 0.00 3.05 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 66 E 8.68 4.15 0.00 1.90 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 2.27 2.33 0.00 67 N 7.93 4.93 0.00 2.88 2.72 0.00 0.00 6.75 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 68 L 7.70 4.93 0.00 1.85 1.68 1.04 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.64 5.00 0.00 1.62 1.68 0.00 3.04 0.00 0.00 3.03 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.53 0.00 70 M 8.83 4.75 0.00 1.94 1.36 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.32 0.00 71 S 8.64 4.67 0.00 4.18 3.93 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 72 K 9.05 4.40 0.00 1.77 1.94 0.00 1.75 0.00 0.00 1.77 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.49 1.41 7.81 73 S 7.91 4.81 0.00 3.69 3.74 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 74 P 0.00 4.39 0.00 0.49 1.18 0.00 3.33 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 75 F 8.85 4.89 0.00 2.99 3.01 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 76 Q 9.05 4.97 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.70 2.43 0.00 77 V 9.06 5.03 2.22 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 1.10 0.00 0.00 0.97 0.00 0.00 78 T 8.97 5.07 4.56 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 1.38 0.00 0.00 79 T 8.98 4.77 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 1.36 0.00 0.00 80 C 9.21 5.43 0.00 2.81 2.82 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 81 K 9.17 5.27 0.00 1.98 1.72 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.74 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.31 1.21 7.81 82 H 9.52 4.31 0.00 3.22 3.15 0.00 5.76 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.21 4.50 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 84 G 8.75 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 0.00 0.00 0.00 85 G 7.73 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 86 S 7.56 4.49 0.00 3.63 3.78 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 0.00 0.00 0.00 87 P 0.00 4.46 0.00 2.17 2.12 0.00 3.55 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.12 0.00 88 R 7.15 4.72 0.00 2.17 1.85 0.00 3.28 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.42 0.00 89 P 0.00 4.57 0.00 2.18 2.07 0.00 3.77 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 90 P 0.00 4.35 0.00 2.07 2.04 0.00 3.65 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.11 0.00 91 C 8.77 4.65 0.00 3.15 2.89 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 92 Q 8.24 4.86 0.00 1.74 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.85 0.00 0.00 0.00 0.00 0.00 2.31 1.95 0.00 93 Y 8.91 5.18 0.00 2.91 2.91 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 94 R 9.10 5.00 0.00 1.47 1.76 0.00 3.25 0.00 0.00 3.17 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.42 0.00 95 A 9.14 5.11 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 96 S 9.15 4.49 0.00 3.88 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 97 A 8.52 4.95 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 98 G 8.32 3.96 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 0.00 0.00 0.00 99 F 8.93 5.61 0.00 2.88 2.98 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 0.00 100 R 8.77 4.77 0.00 1.76 1.74 0.00 2.21 0.00 0.00 2.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.46 0.00 101 H 9.03 4.80 0.00 3.24 3.29 0.00 5.64 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 V 8.73 4.59 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 1.05 0.00 0.00 0.67 0.00 0.00 103 V 7.29 4.43 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 0.63 0.00 0.00 -1.06 0.00 0.00 104 I 8.38 4.93 1.83 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.59 0.79 0.00 0.00 105 A 8.60 5.03 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 0.00 106 C 8.78 5.45 0.00 2.75 2.87 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 0.00 0.00 0.00 107 E 8.75 4.63 0.00 1.82 1.73 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 2.13 2.10 0.00 108 N 9.87 3.87 0.00 2.74 2.80 0.00 0.00 7.18 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 0.00 109 G 8.47 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 0.00 110 L 7.46 4.55 0.00 1.61 1.04 0.62 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 111 P 0.00 4.40 0.00 0.49 1.58 0.00 3.41 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.83 0.00 112 V 8.36 4.61 2.13 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 0.73 0.00 0.00 0.95 0.00 0.00 113 H 7.83 5.07 0.00 3.27 3.12 0.00 5.83 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 F 8.67 4.81 0.00 2.63 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 D 7.80 4.51 0.00 2.65 2.29 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 0.00 116 E 8.81 4.28 0.00 2.10 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 2.52 2.30 0.00 117 S 7.99 4.40 0.00 4.06 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 0.00 118 F 7.67 4.15 0.00 2.90 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 *119 F 7.51 4.80 0.00 2.95 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 * Residues marked with a * may have inaccurate shift predictions.