NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4613 8.1814 116.7952 58.1307 65.4761 175.5327 3 G 3.4351 8.0445 108.1701 46.8576 0.0000 174.0371 4 I 3.6870 7.9267 121.1638 63.5645 38.2406 175.9039 5 K 3.8330 8.0595 120.0284 59.7177 31.8432 178.3569 6 S 4.1844 7.7881 111.6173 60.5946 62.2578 175.8416 7 L 3.9711 7.9003 123.3972 57.8965 41.7456 178.3371 8 E 3.9508 8.7906 119.7018 59.2877 29.2746 178.8990 9 L 4.0341 7.5105 118.4655 57.5221 41.8732 178.7705 10 L 4.0930 7.6794 120.3711 58.1833 42.0174 179.1044 11 L 3.8893 8.2625 119.5192 57.4036 41.0836 178.6870 12 Q 4.9624 8.3074 117.5347 56.8986 28.6241 176.8210 13 S 4.7339 7.4632 115.0673 58.5177 64.0372 174.0967 14 M 4.3707 7.8418 122.2421 55.9167 32.9739 175.6080 15 S 4.6496 9.1374 120.7734 55.6788 65.0499 170.9368 16 P 4.7635 0.0000 0.0000 62.6702 32.4914 176.1028 17 E 4.4883 8.8742 121.2717 54.2289 32.6670 174.5294 18 L 4.4146 8.5253 127.5549 55.3304 42.6301 176.3670 19 M 4.6312 8.8175 126.4946 53.5894 34.1572 175.8866 20 A 4.1890 8.3912 122.8603 52.8042 19.4314 177.9425 21 G 3.8654 8.7456 107.3325 45.1516 0.0000 172.7806 22 D 5.1078 8.2145 120.7021 52.7733 43.2441 175.0767 23 Y 5.3549 9.3336 120.2976 56.3809 41.9478 175.0569 24 V 5.1347 9.0677 115.1247 59.7944 36.4735 174.3826 25 F 4.9373 9.3748 121.7336 56.3807 40.7258 174.9742 26 C 5.1543 9.3855 120.9218 58.0677 32.1487 172.7064 27 T 4.9943 8.4469 115.1512 60.5343 69.3456 173.3765 28 V 4.5950 8.8022 121.0672 59.6686 36.2181 174.0385 29 N 5.1579 8.6756 119.0117 52.8216 40.9433 174.2985 30 G 3.8244 8.9870 107.1385 44.1859 0.0000 173.0865 31 A 4.2683 8.3892 120.8753 51.4417 19.2430 178.4814 32 L 4.1688 8.6280 121.9649 58.3047 41.8685 179.7477 33 S 4.2085 8.0833 112.9665 61.3785 62.9041 175.7646 34 D 4.3035 7.8555 120.8252 55.9956 40.7255 176.9131 35 Y 4.6656 7.7137 115.4296 57.3145 38.8790 177.2070 36 L 4.0780 7.9591 121.9560 57.8349 41.5277 179.2507 37 S 4.1338 8.0191 112.0086 60.7907 63.0643 174.9827 38 L 4.1589 7.8487 119.4630 55.1027 41.9998 176.8307 39 E 3.7718 8.0851 115.1051 56.3661 26.9092 172.5887 40 P 4.4767 0.0000 0.0000 62.7347 32.3815 177.5470 41 I 4.0403 8.5205 122.0567 63.5334 38.5974 175.7086 42 A 4.9200 7.7251 121.9796 50.3520 22.6656 175.1076 43 T 5.1740 8.3851 109.0832 60.1146 72.6362 173.2438 44 F 4.3883 8.8334 124.9319 56.9058 43.0681 173.4619 45 R 4.5320 8.1440 127.3337 55.9047 29.5842 175.5043 46 E 4.7268 8.8350 125.8563 54.3767 31.0051 176.1806 47 P 4.3089 0.0000 0.0000 66.0156 31.4604 178.1015 48 E 4.0308 8.1183 115.9964 57.5242 29.7723 176.5878 49 G 4.3162 7.0870 105.9421 42.8827 0.0000 171.5079 50 L 4.4585 8.0695 123.2329 55.1931 43.1023 175.9460 51 T 4.7391 9.3203 124.4660 63.1622 70.0778 173.6474 52 L 5.0285 8.8633 126.5941 52.8352 44.8707 175.5369 53 V 4.1562 8.4778 124.6185 61.3725 32.7251 174.5923 54 L 5.2185 8.6179 127.6766 52.4201 46.0264 176.2475 55 E 4.0581 8.8248 120.6337 56.2745 30.3477 177.9271 56 A 4.0152 8.9394 126.2701 55.7694 18.4296 179.9231 57 E 3.9582 8.0418 116.2331 59.4630 29.3790 179.5195 58 K 4.1988 7.9524 117.5768 59.0716 32.4295 178.9347 59 A 4.1995 7.9581 120.4851 54.6725 18.5476 178.9251 60 Q 3.9193 7.8596 118.7201 59.3649 29.0188 178.1976 61 Q 4.1202 8.0315 118.2211 58.7592 28.9166 177.3326 62 A 4.3947 7.6500 120.1431 51.6302 18.2048 177.5425 63 G 3.9266 7.6806 105.2318 46.9507 0.0000 174.2369 64 L 4.1593 7.7434 119.6193 53.9093 42.1477 176.8426 65 E 4.2443 8.7639 123.5269 56.1219 29.5434 175.9830 66 S 5.1187 8.5850 123.2731 56.6297 64.9618 171.2363 67 S 5.2218 8.3625 115.1204 57.2234 65.7368 173.7792 68 A 4.2769 8.5729 120.9943 51.8803 19.4875 177.8155 69 L 4.3537 8.2268 119.1018 54.9884 42.8750 176.6319 70 F 5.5496 9.7415 121.6219 55.9705 43.1633 174.2450 71 S 5.3101 9.3750 117.3628 56.9264 65.9193 172.9182 72 L 4.2204 8.5171 124.9355 53.9370 43.6881 174.9662 73 I 4.8174 8.3926 127.5460 59.8170 39.9542 174.7349 74 T 4.5999 8.6685 124.5717 62.6094 70.1273 173.7724 75 L 4.7514 8.4791 126.8667 53.5353 42.9700 176.1470 76 T 4.6509 8.3142 120.4651 61.8489 71.7788 173.7708 77 V 4.6565 7.8741 122.5884 61.5901 34.6114 174.9210 78 H 4.8591 8.5329 123.4915 53.9273 28.2647 172.6575 *81 L 4.0308 7.8719 120.2321 55.3143 43.2298 178.6161 82 E 4.4512 8.5567 119.4130 53.8147 28.8621 172.7512 83 A 4.8686 7.7952 126.1690 49.8835 22.1229 176.7301 84 V 4.1306 8.4868 113.3414 60.7642 33.1644 175.6716 85 G 3.5245 8.8968 111.0171 45.3278 0.0000 175.4601 86 L 3.8058 8.1407 123.0028 58.5119 42.0897 178.8911 87 T 2.4800 7.5910 114.7380 65.9677 68.4047 176.1692 88 A 3.8135 7.7758 121.9579 55.1503 18.3215 179.3818 89 A 3.9645 7.9769 119.3032 55.3871 18.5616 179.9517 90 F 4.4043 8.0472 113.1906 60.0113 37.9138 177.5768 91 A 4.1386 7.6707 121.4290 55.2001 18.2000 179.7740 92 T 3.8240 8.0723 114.3609 66.4830 68.3063 176.5946 93 K 4.0715 8.0977 120.3950 59.8686 32.5660 178.4000 94 L 4.1847 8.2052 118.7580 57.8452 41.5757 179.4770 95 A 4.1300 8.3793 120.6339 54.9939 18.0345 179.4906 96 E 4.0719 8.1467 116.4297 59.0443 29.4606 177.5104 97 H 4.6523 8.0533 114.5019 54.7522 28.9865 175.0336 98 G 3.9981 7.8195 106.8171 47.0835 0.0000 174.3727 99 I 4.5569 7.6243 118.3007 58.7518 39.9258 176.4018 100 S 4.1634 8.5691 122.0175 58.6671 63.1496 173.9687 101 A 4.6205 8.4772 125.7003 50.5373 20.6451 175.5299 102 N 4.6479 9.0696 120.5221 52.7352 39.3628 174.2376 103 V 4.6089 8.2343 123.8856 62.0264 33.0782 174.9509 104 I 4.6686 9.2157 128.5384 59.3661 40.0725 174.4898 105 A 4.5302 8.8758 129.9281 51.4816 19.0573 177.5642 106 G 4.0402 8.8781 113.2227 44.3312 0.0000 173.0822 107 Y 3.9502 8.6039 119.4826 60.7107 38.8875 176.6991 108 Y 4.3857 7.9592 115.2027 60.0271 38.7473 175.2093 109 H 5.0625 7.7163 114.4172 53.6141 32.9854 172.0102 110 D 4.8680 8.3351 120.6744 54.5595 42.4198 175.1296 111 H 5.1654 9.0741 119.2039 54.0173 32.2538 172.5443 112 I 4.8609 8.7418 124.3602 59.5514 39.8431 174.4965 113 F 5.2029 9.2081 126.5931 56.2751 40.5439 175.5244 114 V 5.2362 8.7128 116.6162 59.0729 36.0127 175.4630 115 Q 4.0555 8.9258 121.3487 56.1979 29.2531 177.5974 116 K 4.1053 9.0982 124.3479 58.8473 32.1641 177.7082 117 E 4.3593 8.0758 112.5467 56.9892 30.0563 177.2275 118 K 4.4913 8.2915 118.9794 56.2693 32.9913 177.5266 119 A 4.0352 7.7261 123.0299 55.2984 18.2216 179.9702 120 Q 3.9214 7.9815 116.0303 59.1601 29.0182 178.3622 121 Q 3.9378 8.1140 119.8859 58.9965 29.0287 178.0530 122 A 3.9811 8.3679 122.2946 54.9398 18.4698 179.3578 123 L 3.8676 7.9029 118.8316 58.4968 41.9977 179.2199 124 Q 3.9907 8.0715 116.5292 58.7845 28.9508 178.4057 125 A 4.0231 8.0090 121.7131 55.2681 17.9922 179.7818 126 L 4.4300 8.2692 117.3343 57.3865 41.0363 179.4607 127 G 3.8155 8.1295 105.1855 46.6377 0.0000 175.2733 128 E 4.1011 7.9011 120.3001 58.7304 29.5255 179.0691 129 F 4.0609 7.8913 117.2399 60.3204 39.2245 177.5768 130 A 4.4286 7.4587 122.4695 54.2218 18.5221 177.3184 131 Q 4.1828 7.5053 118.8332 56.3735 28.6633 176.0440 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 S 8.18 4.46 0.00 3.90 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 3 G 8.04 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 7.93 3.69 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 1.54 1.34 0.92 0.00 0.00 5 K 8.06 3.83 0.00 1.83 1.96 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.52 1.46 7.81 6 S 7.79 4.18 0.00 3.97 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 7 L 7.90 3.97 0.00 1.81 1.73 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.79 3.95 0.00 2.37 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 0.00 2.35 2.41 0.00 9 L 7.51 4.03 0.00 1.74 1.72 0.99 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 10 L 7.68 4.09 0.00 1.80 1.87 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 L 8.26 3.89 0.00 1.90 1.60 0.97 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 12 Q 8.31 4.96 0.00 2.29 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.72 0.00 0.00 0.00 0.00 0.00 2.60 2.25 0.00 13 S 7.46 4.73 0.00 3.89 4.03 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 0.00 0.00 0.00 14 M 7.84 4.37 0.00 2.08 1.88 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 15 S 9.14 4.65 0.00 3.92 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 16 P 0.00 4.76 0.00 2.08 1.99 0.00 3.78 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 17 E 8.87 4.49 0.00 1.92 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 2.18 2.17 0.00 18 L 8.53 4.41 0.00 1.63 1.58 0.98 0.99 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 19 M 8.82 4.63 0.00 1.94 2.01 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.79 0.00 20 A 8.39 4.19 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.75 3.87 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 0.00 0.00 0.00 22 D 8.21 5.11 0.00 2.52 2.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 Y 9.33 5.35 0.00 3.25 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 24 V 9.07 5.13 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 0.90 0.00 0.00 1.03 0.00 0.00 25 F 9.37 4.94 0.00 2.99 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 26 C 9.39 5.15 0.00 2.72 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 27 T 8.45 4.99 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 28 V 8.80 4.60 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 0.41 0.00 0.00 0.09 0.00 0.00 29 N 8.68 5.16 0.00 2.63 2.74 0.00 0.00 7.18 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 30 G 8.99 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 31 A 8.39 4.27 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 32 L 8.63 4.17 0.00 1.80 1.71 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 33 S 8.08 4.21 0.00 4.04 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 D 7.86 4.30 0.00 2.35 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 0.00 0.00 0.00 35 Y 7.71 4.67 0.00 3.01 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 36 L 7.96 4.08 0.00 1.73 1.73 1.03 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 37 S 8.02 4.13 0.00 3.97 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.85 4.16 0.00 1.88 1.81 1.11 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.09 3.77 0.00 2.03 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 2.30 2.29 0.00 40 P 0.00 4.48 0.00 2.30 2.04 0.00 3.80 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 2.00 1.99 0.00 41 I 8.52 4.04 1.96 0.00 0.00 0.70 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 0.81 0.76 0.00 0.00 42 A 7.73 4.92 1.07 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 0.00 0.00 43 T 8.39 5.17 4.22 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 1.19 0.00 0.00 44 F 8.83 4.39 0.00 3.20 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 45 R 8.14 4.53 0.00 1.72 1.63 0.00 3.32 0.00 0.00 3.22 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.67 0.00 46 E 8.83 4.73 0.00 2.34 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 0.00 2.44 2.50 0.00 47 P 0.00 4.31 0.00 2.06 2.15 0.00 3.74 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 2.07 2.17 0.00 48 E 8.12 4.03 0.00 1.95 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 2.32 2.38 0.00 49 G 7.09 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 50 L 8.07 4.46 0.00 1.78 1.58 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 51 T 9.32 4.74 4.45 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 1.31 0.00 0.00 52 L 8.86 5.03 0.00 1.43 1.45 0.58 0.70 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 53 V 8.48 4.16 1.58 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 -0.07 0.00 0.00 -0.35 0.00 0.00 54 L 8.62 5.22 0.00 1.61 1.53 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 55 E 8.82 4.06 0.00 2.00 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 2.05 2.34 0.00 56 A 8.94 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 57 E 8.04 3.96 0.00 1.99 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 2.39 2.38 0.00 58 K 7.95 4.20 0.00 1.86 1.89 0.00 1.86 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.45 7.81 59 A 7.96 4.20 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 60 Q 7.86 3.92 0.00 2.31 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 61 Q 8.03 4.12 0.00 2.27 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.11 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 62 A 7.65 4.39 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 63 G 7.68 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 0.00 0.00 0.00 64 L 7.74 4.16 0.00 1.83 1.64 0.96 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 65 E 8.76 4.24 0.00 1.98 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 2.33 2.31 0.00 66 S 8.58 5.12 0.00 4.05 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 67 S 8.36 5.22 0.00 4.09 4.10 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 0.00 0.00 0.00 0.00 68 A 8.57 4.28 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 69 L 8.23 4.35 0.00 1.55 1.60 0.90 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 70 F 9.74 5.55 0.00 3.51 3.30 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 71 S 9.38 5.31 0.00 3.83 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 72 L 8.52 4.22 0.00 1.58 1.41 0.70 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 73 I 8.39 4.82 1.74 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 1.18 0.50 0.78 0.00 0.00 74 T 8.67 4.60 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 1.13 0.00 0.00 75 L 8.48 4.75 0.00 1.37 1.42 0.64 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 76 T 8.31 4.65 4.22 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 1.11 0.00 0.00 77 V 7.87 4.66 2.04 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 0.75 0.00 0.00 0.89 0.00 0.00 78 H 8.53 4.86 0.00 3.00 3.18 0.00 5.93 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *81 L 7.87 4.03 0.00 1.66 1.64 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 82 E 8.56 4.45 0.00 1.97 1.74 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 2.14 1.84 0.00 83 A 7.80 4.87 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 84 V 8.49 4.13 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 0.71 0.00 0.00 0.91 0.00 0.00 85 G 8.90 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.14 3.81 0.00 1.73 1.65 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.59 2.48 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 88 A 7.78 3.81 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 89 A 7.98 3.96 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 90 F 8.05 4.40 0.00 3.22 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 91 A 7.67 4.14 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 92 T 8.07 3.82 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 1.24 0.00 0.00 93 K 8.10 4.07 0.00 2.20 2.31 0.00 1.83 0.00 0.00 1.43 0.00 0.00 3.03 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.54 1.56 7.81 94 L 8.21 4.18 0.00 2.01 1.93 1.05 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 95 A 8.38 4.13 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 96 E 8.15 4.07 0.00 2.29 2.04 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 2.36 2.46 0.00 97 H 8.05 4.65 0.00 3.27 3.46 0.00 6.00 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 98 G 7.82 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.62 4.56 2.03 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 1.47 0.87 1.04 0.00 0.00 100 S 8.57 4.16 0.00 4.18 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 0.00 101 A 8.48 4.62 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 0.00 102 N 9.07 4.65 0.00 2.66 2.53 0.00 0.00 6.37 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 0.00 103 V 8.23 4.61 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 0.95 0.00 0.00 1.19 0.00 0.00 104 I 9.22 4.67 2.10 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 1.27 0.98 1.02 0.00 0.00 105 A 8.88 4.53 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 G 8.88 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 0.00 107 Y 8.60 3.95 0.00 2.77 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 0.00 108 Y 7.96 4.39 0.00 2.99 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 H 7.72 5.06 0.00 3.02 3.15 0.00 5.61 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 0.00 110 D 8.34 4.87 0.00 2.54 2.53 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 0.00 111 H 9.07 5.17 0.00 3.24 2.96 0.00 5.77 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.74 4.86 1.71 0.00 0.00 0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.53 0.97 0.00 0.00 113 F 9.21 5.20 0.00 2.88 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 0.00 114 V 8.71 5.24 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 0.91 0.00 0.00 1.06 0.00 0.00 115 Q 8.93 4.06 0.00 2.18 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.79 0.00 0.00 0.00 0.00 0.00 2.44 2.40 0.00 116 K 9.10 4.11 0.00 1.79 1.81 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.54 7.81 117 E 8.08 4.36 0.00 2.11 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 118 K 8.29 4.49 0.00 1.90 1.88 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.37 1.59 7.81 119 A 7.73 4.04 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 0.00 120 Q 7.98 3.92 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.84 0.00 0.00 0.00 0.00 0.00 2.46 2.36 0.00 121 Q 8.11 3.94 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.91 0.00 0.00 0.00 0.00 0.00 2.47 2.46 0.00 122 A 8.37 3.98 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 0.00 123 L 7.90 3.87 0.00 1.93 1.86 0.93 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 8.07 3.99 0.00 2.04 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.72 0.00 0.00 0.00 0.00 0.00 2.64 2.52 0.00 125 A 8.01 4.02 1.15 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 0.00 126 L 8.27 4.43 0.00 1.74 1.82 0.81 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 127 G 8.13 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 0.00 128 E 7.90 4.10 0.00 1.91 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 2.26 2.50 0.00 129 F 7.89 4.06 0.00 3.29 3.28 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 0.00 130 A 7.46 4.43 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 0.00 131 Q 7.51 4.18 0.00 2.05 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.49 0.00 0.00 0.00 0.00 0.00 2.56 2.44 0.00 * Residues marked with a * may have inaccurate shift predictions.