NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 V 4.0910 8.0549 120.3061 61.6403 31.7352 175.0697 32 Q 3.7725 8.6680 125.3283 57.5889 29.0000 175.3649 33 G 3.8868 8.2780 109.4762 44.0251 0.0000 171.8470 34 A 4.4341 9.0548 128.5837 51.3461 19.3022 175.4160 35 G 4.1399 7.5503 104.5099 44.9038 0.0000 172.9001 36 Q 5.2981 9.2892 117.6496 53.9484 32.8343 174.8463 37 L 5.2129 9.2896 123.9654 53.3189 45.8066 174.8826 38 R 4.5218 8.5391 126.7569 54.3756 31.7793 174.8843 39 L 4.9341 8.5151 125.5027 54.7344 44.9546 174.3755 40 S 5.0997 8.7263 112.6937 56.7408 66.3420 172.6340 41 I 5.0028 8.6709 126.2861 59.7043 41.1164 173.7750 42 D 5.1166 9.0236 125.2668 52.4058 45.0876 173.5567 43 A 5.1066 8.5690 125.3939 50.3125 21.1137 176.4474 44 Q 4.1032 8.8739 122.4346 54.9268 30.7871 173.8252 45 D 4.5176 9.3058 126.8509 56.0968 38.1668 173.8658 46 R 3.8392 7.7457 112.0401 57.0328 28.5500 176.3652 47 V 4.7361 7.4714 116.1878 61.1059 34.7271 174.1924 48 L 4.6071 9.0461 129.5528 54.2848 43.1780 175.8059 49 L 4.6737 9.2940 127.0955 53.5229 43.6431 174.7079 50 L 5.0972 8.5637 127.2397 53.2528 44.5617 175.5163 51 H 5.0760 9.2831 123.2238 54.4960 32.2991 172.6202 52 I 3.8927 8.7356 128.5676 60.5719 37.4129 176.6480 53 I 3.9338 8.5604 129.9635 62.4050 37.3696 176.3340 54 E 5.0592 7.5044 117.0271 55.6449 33.2793 173.0698 55 G 4.7588 9.5250 107.0033 44.6147 0.0000 171.8218 56 K 4.8498 9.6292 120.8704 55.2988 36.2322 176.1227 57 G 4.2522 9.5824 114.1709 46.0979 0.0000 173.6782 58 L 4.3364 8.0200 118.7522 54.9422 42.3841 177.2473 59 I 4.5822 8.5176 124.4399 59.4791 39.1428 175.1070 60 S 4.8445 8.5242 122.3129 56.1476 64.8220 175.2087 61 K 3.8953 8.9106 123.9889 58.2944 32.5982 177.2297 62 Q 4.2228 7.5516 120.6222 54.7306 29.3392 173.4614 63 P 4.5666 0.0000 0.0000 62.3756 32.1975 175.4891 64 G 3.7888 8.6925 109.0165 43.8827 0.0000 173.1729 65 T 3.9867 8.2430 109.8041 61.8045 69.4953 173.0827 66 C 4.7015 8.5228 123.0957 58.3496 33.2864 171.8745 67 D 5.4580 9.8326 127.8558 50.7752 41.3420 173.5142 68 P 5.8500 0.0000 0.0000 61.9060 33.8243 174.8536 69 Y 5.5097 8.2045 117.5132 55.9830 41.9827 173.2921 70 V 4.7032 8.7229 120.4932 60.9288 34.4153 174.0567 71 K 5.1165 9.3822 128.8759 54.7030 35.1139 174.4825 72 I 4.9560 8.9335 128.6479 59.8570 40.2727 174.8631 73 S 4.8729 8.4168 119.3074 58.0400 66.7360 172.9612 74 L 5.3155 8.5983 119.2103 52.9882 44.4301 176.4633 75 I 4.9372 8.6193 114.9646 58.6394 41.2338 172.7699 76 P 4.7947 0.0000 0.0000 62.3752 32.5032 175.3722 77 E 4.4903 8.2685 118.9987 55.8824 32.6533 175.7349 78 D 4.6498 8.5036 129.6337 51.1619 39.9138 175.0642 79 S 4.5620 6.9706 111.6758 58.0704 65.4843 175.9199 80 R 4.0169 7.8672 123.2194 55.5524 31.0479 177.7379 81 L 3.9081 7.5351 119.1003 57.6964 41.6340 178.4161 82 R 4.1324 7.7719 114.4089 56.8043 30.6629 176.3014 83 H 4.8825 8.0286 116.1892 56.2610 29.3928 174.9946 84 Q 4.8843 9.1341 119.8966 54.3026 33.3515 174.0709 85 K 5.1688 8.6484 120.0079 55.7597 36.4041 175.4107 86 T 5.2205 8.6910 112.0265 59.6603 71.0310 174.0667 87 Q 4.4166 9.9630 120.9900 56.6709 29.8398 175.5925 88 T 4.8999 8.3828 116.4679 62.3028 70.0213 174.7913 89 V 4.2080 8.9569 128.2051 60.7631 32.4006 173.2931 90 P 4.4621 0.0000 0.0000 63.4223 31.7679 176.1615 91 D 4.3903 9.7623 123.4738 54.6826 39.8184 173.0126 92 C 4.6365 8.5742 118.0660 58.4989 35.3237 173.4234 93 R 4.3858 8.6822 124.6487 56.2827 30.9296 175.6304 94 D 5.5110 7.5998 117.6507 51.0606 40.5650 173.7928 95 P 4.1735 0.0000 0.0000 62.7907 33.2752 177.1153 96 A 4.5771 8.1650 124.4879 50.9321 19.5258 176.2790 97 F 4.3555 8.7891 120.4234 60.0514 39.9133 177.2198 98 H 4.1094 7.9722 113.1611 57.3444 26.5857 174.5565 99 E 4.7821 8.4876 117.3912 54.8899 33.4024 176.4715 100 H 5.0538 8.5710 119.9888 54.2582 31.0378 174.1415 101 F 4.9256 9.3698 119.9943 55.6980 43.4687 174.2184 102 F 4.9831 9.1224 119.4328 56.0490 41.5476 174.7582 103 F 4.7121 9.6152 128.9057 55.4202 40.4668 172.4167 104 P 4.9762 0.0000 0.0000 62.7870 31.9266 176.1119 105 V 4.9904 8.6670 115.8880 59.6335 35.6802 174.4874 106 Q 4.6999 9.0233 119.4869 53.3544 31.9788 175.8996 107 E 3.9237 8.9578 118.0391 59.8885 29.1218 178.3507 108 E 4.2245 8.1539 115.1263 57.9901 29.8264 177.4953 109 D 4.7546 8.5112 119.0196 54.4814 41.3949 177.6362 110 D 4.4269 7.9294 120.6228 57.3745 40.6558 177.9290 111 Q 4.3616 7.8324 114.4755 56.1270 29.2826 175.4588 112 K 4.5999 8.0762 119.6867 55.3888 34.8116 175.3794 113 R 5.0494 8.9160 119.5189 54.3567 33.8837 175.2306 114 L 4.4127 9.2528 125.8178 54.4454 43.3212 174.9684 115 L 4.7244 8.9151 129.7077 53.4689 44.4041 175.0689 116 V 4.5962 8.2613 125.5032 61.4868 34.2065 173.9894 117 T 4.8089 8.7836 124.7073 61.6298 72.0982 173.1035 118 V 4.5076 8.4143 126.2680 61.1737 33.3533 174.6123 119 W 4.8990 8.6086 127.4693 54.7825 32.8820 174.4475 120 N 5.1798 9.3210 122.2973 51.7911 39.5660 174.0071 121 R 4.5738 9.2747 128.0336 56.6935 30.7433 175.4978 122 A 4.9909 8.5594 127.0549 49.7116 21.7445 176.2283 123 S 4.1371 8.9836 113.8867 60.5240 63.1587 174.7840 124 Q 4.5804 7.7944 121.6375 53.7176 31.0778 175.4700 125 S 4.1004 9.0109 122.0933 61.8595 62.9578 177.0457 126 R 3.9313 7.9918 114.2641 58.6757 29.0417 177.1230 127 Q 4.3514 8.0670 116.2891 56.2847 29.3135 176.1950 128 S 4.4812 8.2310 116.3549 58.5558 63.5401 173.9802 129 G 4.2937 8.6408 112.0035 44.2684 0.0000 172.2595 130 L 3.9396 8.2527 124.1335 54.2983 42.3337 176.3336 131 I 3.9149 8.3170 128.2569 63.0343 37.7909 176.1011 132 G 4.0062 7.4079 106.3073 46.4545 0.0000 171.3591 133 C 5.1794 8.5408 113.8122 57.6043 32.8388 172.9483 *135 S 4.5822 8.4863 112.2972 58.7108 64.0175 173.1585 136 F 4.7960 8.7916 118.4825 55.3311 42.8616 175.0031 137 G 3.8953 8.8306 112.3945 45.4090 0.0000 174.4995 138 V 3.5550 8.6817 124.0047 65.7905 31.5814 178.4005 139 K 3.9055 7.7674 119.4458 59.7126 31.9399 178.7017 140 S 4.1683 7.6610 113.2360 61.2282 62.0459 175.8407 141 L 4.0953 7.5583 120.1537 56.5113 41.5045 178.1522 142 L 4.3828 7.5695 117.2358 55.2927 42.0662 176.7849 143 T 4.1708 7.4367 112.8518 62.4837 68.5692 173.8970 *147 E 4.2257 7.8842 120.9747 56.0371 30.6221 174.7924 148 I 4.6222 7.8421 126.7846 59.7125 40.3817 174.7186 149 S 4.6906 8.3163 116.1596 57.5982 65.3502 175.6386 150 G 3.7059 7.6547 114.9512 44.2686 0.0000 171.2743 151 W 5.0403 8.4562 120.1476 56.2412 30.7314 175.4343 152 Y 4.9914 9.2654 121.2052 56.2799 41.8055 174.4154 153 Y 4.8818 9.0754 120.0075 57.7642 39.4990 175.3280 154 L 4.4554 9.1625 123.8546 54.0749 43.1299 176.7827 155 L 4.7835 8.7946 125.2700 52.8366 44.4855 176.6189 156 G 3.9724 8.3636 108.7757 45.0213 0.0000 174.3927 157 E 3.8129 8.5309 118.3488 59.0737 29.3388 178.2910 158 H 4.6704 7.7129 115.6167 57.7034 29.8906 176.5448 159 L 4.0157 7.9070 121.6053 58.3263 41.6705 179.1222 160 G 3.5951 8.2334 104.4914 47.2241 0.0000 174.8882 161 R 4.2318 7.6849 118.1707 57.0456 30.4410 176.7786 162 T 4.4145 7.4487 108.2063 61.5241 70.5517 173.6530 163 K 4.2428 7.2331 118.7165 56.8789 34.7471 173.3217 164 H 4.8332 8.0509 112.5532 54.2791 31.5676 172.5720 165 L 4.9020 8.3849 119.5751 53.1141 45.2946 176.1794 166 K 3.9929 8.9101 123.5824 56.3060 34.0569 176.8492 167 V 3.8191 8.1002 122.4628 61.5084 31.7083 175.8446 168 A 4.0482 8.7822 131.2237 52.9418 18.7185 177.4254 169 R 4.0534 8.6561 121.1757 57.2436 30.6008 177.0751 170 R 3.8063 7.8621 114.3159 57.0404 27.9232 176.1912 171 R 4.1730 8.0480 120.6609 56.4996 30.2382 176.6898 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 31 V 8.05 4.09 2.06 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 0.88 0.00 0.00 0.91 0.00 0.00 32 Q 8.67 3.77 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.42 0.00 33 G 8.28 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 34 A 9.05 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 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.55 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 36 Q 9.29 5.30 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.70 0.00 0.00 0.00 0.00 0.00 1.97 2.23 0.00 37 L 9.29 5.21 0.00 1.77 1.53 1.03 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.54 4.52 0.00 0.67 0.86 0.00 2.60 0.00 0.00 2.83 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.00 39 L 8.52 4.93 0.00 1.70 1.58 0.57 0.24 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 40 S 8.73 5.10 0.00 3.82 3.63 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 41 I 8.67 5.00 1.46 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.43 0.67 0.00 0.00 42 D 9.02 5.12 0.00 2.67 2.39 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 43 A 8.57 5.11 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 Q 8.87 4.10 0.00 2.04 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.99 6.19 0.00 0.00 0.00 0.00 0.00 2.27 2.50 0.00 45 D 9.31 4.52 0.00 2.83 2.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 R 7.75 3.84 0.00 2.04 2.26 0.00 3.08 0.00 0.00 3.29 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 47 V 7.47 4.74 2.36 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 1.26 0.00 0.00 1.09 0.00 0.00 48 L 9.05 4.61 0.00 1.83 1.55 0.81 0.53 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 49 L 9.29 4.67 0.00 1.58 1.61 0.30 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.56 5.10 0.00 1.73 1.50 0.91 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 51 H 9.28 5.08 0.00 3.02 3.05 0.00 5.59 0.00 0.00 0.00 0.00 6.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 I 8.74 3.89 1.97 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 1.05 0.29 0.73 0.00 0.00 53 I 8.56 3.93 1.68 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.36 0.70 0.00 0.00 54 E 7.50 5.06 0.00 2.11 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.04 0.00 55 G 9.52 4.76 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 0.00 0.00 0.00 56 K 9.63 4.85 0.00 1.90 1.60 0.00 1.28 0.00 0.00 1.39 0.00 0.00 2.63 0.00 0.00 2.14 0.00 0.00 0.00 0.00 1.25 1.50 7.81 57 G 9.58 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 0.00 0.00 0.00 0.00 58 L 8.02 4.34 0.00 1.59 1.67 1.03 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.52 4.58 1.87 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 1.47 0.89 0.91 0.00 0.00 60 S 8.52 4.84 0.00 3.87 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 61 K 8.91 3.90 0.00 1.88 1.97 0.00 1.56 0.00 0.00 1.68 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.40 7.81 62 Q 7.55 4.22 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 7.05 0.00 0.00 0.00 0.00 0.00 2.41 2.32 0.00 63 P 0.00 4.57 0.00 2.19 2.07 0.00 3.77 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 64 G 8.69 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 65 T 8.24 3.99 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 66 C 8.52 4.70 0.00 3.05 2.88 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 67 D 9.83 5.46 0.00 2.76 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 68 P 0.00 5.85 0.00 2.37 2.28 0.00 4.27 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.02 0.00 69 Y 8.20 5.51 0.00 3.20 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.72 4.70 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 0.76 0.00 0.00 0.17 0.00 0.00 71 K 9.38 5.12 0.00 2.09 1.89 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.37 1.48 7.81 72 I 8.93 4.96 1.74 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.46 0.67 0.00 0.00 73 S 8.42 4.87 0.00 3.79 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 74 L 8.60 5.32 0.00 1.60 1.60 1.08 0.47 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 75 I 8.62 4.94 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 1.42 1.07 0.92 0.00 0.00 76 P 0.00 4.79 0.00 2.21 2.09 0.00 3.81 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 1.97 1.95 0.00 77 E 8.27 4.49 0.00 1.96 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 2.23 2.31 0.00 78 D 8.50 4.65 0.00 2.69 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 79 S 6.97 4.56 0.00 3.81 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 80 R 7.87 4.02 0.00 1.77 1.68 0.00 3.15 0.00 0.00 3.33 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.53 0.00 81 L 7.54 3.91 0.00 1.58 1.72 0.91 0.82 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 82 R 7.77 4.13 0.00 1.93 1.71 0.00 3.26 0.00 0.00 3.66 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 83 H 8.03 4.88 0.00 3.15 3.28 0.00 5.62 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 84 Q 9.13 4.88 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.65 0.00 0.00 0.00 0.00 0.00 2.34 2.46 0.00 85 K 8.65 5.17 0.00 1.91 1.82 0.00 1.30 0.00 0.00 1.63 0.00 0.00 2.72 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.47 7.81 86 T 8.69 5.22 4.67 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 1.24 0.00 0.00 87 Q 9.96 4.42 0.00 2.14 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.67 0.00 0.00 0.00 0.00 0.00 2.89 2.58 0.00 88 T 8.38 4.90 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 89 V 8.96 4.21 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 0.89 0.00 0.00 0.71 0.00 0.00 90 P 0.00 4.46 0.00 2.14 2.08 0.00 3.99 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 2.01 1.99 0.00 91 D 9.76 4.39 0.00 2.67 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 92 C 8.57 4.64 0.00 2.89 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 93 R 8.68 4.39 0.00 1.82 1.96 0.00 3.13 0.00 0.00 3.35 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 94 D 7.60 5.51 0.00 2.49 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 95 P 0.00 4.17 0.00 1.10 1.99 0.00 3.83 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 96 A 8.16 4.58 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 F 8.79 4.36 0.00 3.16 3.17 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 98 H 7.97 4.11 0.00 3.28 3.37 0.00 5.59 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 E 8.49 4.78 0.00 2.04 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 2.25 2.56 0.00 100 H 8.57 5.05 0.00 2.93 3.00 0.00 5.64 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 F 9.37 4.93 0.00 2.85 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 0.00 102 F 9.12 4.98 0.00 2.94 3.03 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 0.00 103 F 9.62 4.71 0.00 3.08 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 0.00 104 P 0.00 4.98 0.00 2.15 2.09 0.00 3.58 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 105 V 8.67 4.99 2.15 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 0.87 0.00 0.00 1.03 0.00 0.00 106 Q 9.02 4.70 0.00 2.21 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.58 0.00 107 E 8.96 3.92 0.00 2.11 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 2.40 2.51 0.00 108 E 8.15 4.22 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 109 D 8.51 4.75 0.00 2.86 2.73 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 0.00 110 D 7.93 4.43 0.00 2.83 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 0.00 111 Q 7.83 4.36 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.88 0.00 0.00 0.00 0.00 0.00 2.34 2.44 0.00 112 K 8.08 4.60 0.00 1.81 1.87 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.43 7.81 113 R 8.92 5.05 0.00 1.63 1.74 0.00 3.09 0.00 0.00 3.15 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.51 0.00 114 L 9.25 4.41 0.00 1.61 1.67 0.38 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 115 L 8.92 4.72 0.00 1.70 1.44 0.84 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 116 V 8.26 4.60 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 0.87 0.00 0.00 0.93 0.00 0.00 117 T 8.78 4.81 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 0.32 0.00 0.00 118 V 8.41 4.51 1.95 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 1.08 0.00 0.00 0.87 0.00 0.00 119 W 8.61 4.90 0.00 1.78 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 0.00 120 N 9.32 5.18 0.00 2.83 2.94 0.00 0.00 6.98 7.53 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 0.00 121 R 9.27 4.57 0.00 2.25 2.02 0.00 3.29 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 122 A 8.56 4.99 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 0.00 123 S 8.98 4.14 0.00 4.00 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 0.00 124 Q 7.79 4.58 0.00 2.07 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 125 S 9.01 4.10 0.00 3.86 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 0.00 126 R 7.99 3.93 0.00 1.92 2.07 0.00 3.03 0.00 0.00 3.23 7.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 127 Q 8.07 4.35 0.00 2.24 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.39 0.00 128 S 8.23 4.48 0.00 3.94 4.11 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 0.00 129 G 8.64 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 0.00 0.00 0.00 0.00 130 L 8.25 3.94 0.00 0.85 1.24 0.40 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.32 3.91 1.88 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 1.14 0.61 0.95 0.00 0.00 132 G 7.41 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 0.00 0.00 0.00 133 C 8.54 5.18 0.00 2.93 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 *135 S 8.49 4.58 0.00 3.85 3.86 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 0.00 136 F 8.79 4.80 0.00 2.81 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 0.00 137 G 8.83 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 0.00 138 V 8.68 3.55 2.40 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 1.03 0.00 0.00 0.93 0.00 0.00 139 K 7.77 3.91 0.00 2.01 1.80 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 140 S 7.66 4.17 0.00 3.93 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 0.00 141 L 7.56 4.10 0.00 1.78 1.65 0.82 1.24 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 0.00 142 L 7.57 4.38 0.00 1.75 1.71 0.98 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 143 T 7.44 4.17 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 1.29 0.00 0.00 *147 E 7.88 4.23 0.00 2.03 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 2.16 2.29 0.00 148 I 7.84 4.62 1.48 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 0.50 0.57 0.00 0.00 149 S 8.32 4.69 0.00 3.81 3.70 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 0.00 150 G 7.65 3.71 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 0.00 0.00 0.00 151 W 8.46 5.04 0.00 3.15 2.99 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 0.00 152 Y 9.27 4.99 0.00 2.88 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 0.00 153 Y 9.08 4.88 0.00 2.99 2.88 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 0.00 154 L 9.16 4.46 0.00 1.70 1.60 0.97 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 155 L 8.79 4.78 0.00 1.62 1.56 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 156 G 8.36 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 0.00 157 E 8.53 3.81 0.00 1.95 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.87 0.00 158 H 7.71 4.67 0.00 3.18 3.32 0.00 5.65 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 159 L 7.91 4.02 0.00 1.72 1.63 0.89 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 160 G 8.23 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 R 7.68 4.23 0.00 1.90 1.95 0.00 3.23 0.00 0.00 3.28 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00 162 T 7.45 4.41 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 1.18 0.00 0.00 163 K 7.23 4.24 0.00 1.69 1.73 0.00 1.48 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.18 1.29 7.81 164 H 8.05 4.83 0.00 2.94 2.60 0.00 5.48 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 165 L 8.38 4.90 0.00 1.77 1.76 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 166 K 8.91 3.99 0.00 1.30 1.08 0.00 1.63 0.00 0.00 1.68 0.00 0.00 2.63 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.39 7.81 167 V 8.10 3.82 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 0.45 0.00 0.00 0.26 0.00 0.00 168 A 8.78 4.05 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 0.00 169 R 8.66 4.05 0.00 1.81 1.99 0.00 3.37 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 170 R 7.86 3.81 0.00 1.90 1.97 0.00 3.19 0.00 0.00 3.22 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.78 0.00 171 R 8.05 4.17 0.00 1.80 1.83 0.00 3.25 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 * Residues marked with a * may have inaccurate shift predictions.