NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.9127 8.3093 115.9071 56.4662 40.1439 175.2245 11 H 4.2446 7.4764 115.7957 55.3229 30.5218 172.4864 12 E 3.9828 8.4828 120.7238 58.6386 30.4574 178.1127 13 M 4.5902 7.7403 115.9744 55.6103 32.2764 177.0382 14 R 4.4774 7.6722 117.4541 55.6875 32.7426 175.6700 15 E 4.0246 7.9271 117.3603 55.1959 29.9168 174.7603 16 P 4.3464 0.0000 0.0000 63.2749 32.4647 174.9282 17 R 4.3562 8.0414 116.3618 55.5023 33.5040 173.6164 18 I 4.5355 8.1443 120.4169 60.5543 37.3874 175.8477 19 E 4.2131 9.4349 130.0330 58.4540 29.9520 176.6420 20 K 4.6567 7.4937 115.8094 56.0476 36.0835 174.1465 21 V 4.6193 8.6686 121.4985 61.3473 34.3409 174.6561 22 V 4.6139 8.5508 130.0420 61.5247 32.8671 174.6768 23 V 4.6602 8.0979 122.6856 60.2593 33.2741 175.0379 24 H 5.2320 8.9478 124.2886 54.8379 33.9159 172.1111 25 M 4.6076 8.6432 122.7607 53.3981 34.6840 175.2985 26 G 3.3208 8.3421 112.3981 46.4536 0.0000 171.8003 27 I 3.8109 8.6264 129.2673 59.6384 36.4539 176.1863 28 G 4.3298 6.0972 127.0700 46.2407 0.0000 172.0674 29 H 4.4011 7.2956 116.1200 55.9156 30.9379 174.6205 *35 A 4.2566 6.9649 123.7560 52.3874 20.5338 177.4090 36 N 4.4983 8.0681 114.4876 53.8859 37.8419 175.8094 37 A 4.6401 7.7723 121.4341 52.2033 20.0149 178.2055 38 E 3.8112 8.0981 119.8314 60.2976 29.1653 178.9999 39 D 4.4305 8.1779 118.6883 57.3569 40.7456 178.9009 40 I 3.9882 7.3726 113.3574 64.0455 37.6763 178.3883 41 L 4.0752 7.9460 120.5465 57.3923 41.0636 179.5321 42 G 3.6679 8.1054 105.2917 47.2607 0.0000 175.4889 43 E 4.1659 7.4485 118.5732 59.0055 30.0592 178.4524 44 I 3.9466 8.0085 117.5548 63.2529 38.0570 177.1159 45 T 4.4345 7.6194 109.5914 64.3059 69.7855 175.4849 46 G 4.1052 7.4709 107.3670 44.6617 0.0000 173.3182 47 Q 4.6754 7.2821 116.2366 53.6416 31.4419 174.9369 48 M 4.0572 8.4417 118.9205 55.1851 32.7046 174.0607 49 P 4.8855 0.0000 0.0000 62.0049 33.8004 175.0230 50 V 4.5481 8.1543 112.7629 59.2976 34.9387 176.1420 51 R 4.5630 8.5903 122.5080 56.6890 31.3651 175.9535 52 T 4.5867 8.6904 116.5992 61.2139 71.6502 173.0917 53 K 5.2611 8.9798 132.7419 54.8673 30.9626 177.0039 54 A 4.3514 7.7805 129.0197 53.0728 21.2594 175.3281 55 K 4.5521 7.9433 117.6871 55.4718 36.1938 172.6262 56 R 3.9090 8.6998 127.8954 55.5871 30.0169 176.6796 57 T 3.8852 8.5484 119.7945 63.6440 69.2496 173.6532 58 V 4.3619 8.4362 126.5457 60.6098 33.2773 176.9035 59 G 3.7006 8.7647 116.0819 48.4318 0.0000 173.9821 60 E 4.2187 8.0521 119.0480 57.4522 28.7599 176.8186 61 F 3.7922 7.9850 119.6599 59.8643 38.7978 174.6004 62 D 4.7389 7.8841 116.7264 53.3647 41.7517 176.5760 63 I 3.6620 7.4575 113.8135 63.4235 38.4474 176.8669 64 R 3.8788 7.5965 121.5966 55.8294 29.7687 175.0756 65 E 3.9269 8.3479 128.2289 58.6854 30.2239 177.3075 66 G 4.0261 7.6296 116.4267 45.5777 0.0000 171.0757 67 D 4.6947 8.1872 123.3457 51.1836 42.4441 173.4673 68 P 4.6239 0.0000 0.0000 64.0396 31.4553 176.0989 69 I 4.6024 9.2310 121.6397 62.0566 41.6281 174.8014 70 G 4.3643 7.7493 106.3668 45.9482 0.0000 171.5400 71 A 5.3537 8.2115 118.5014 50.6687 23.1006 175.8643 72 K 5.1034 8.9039 118.3906 55.4788 37.2521 175.4106 73 V 4.6218 8.6581 120.3699 61.4977 34.7274 174.0329 74 T 4.6631 8.5757 119.0116 60.4951 69.7340 173.8869 75 L 4.6499 8.7337 127.7533 53.2429 43.7167 176.2067 76 R 4.8202 7.9714 120.9641 54.4050 34.0474 175.3699 77 D 4.4256 8.9844 121.6229 55.6363 39.2839 175.9163 78 E 3.9639 9.0895 126.2177 61.1492 28.9997 178.1711 79 M 4.0374 8.2912 117.6222 58.5845 31.8404 178.8076 80 A 3.9949 7.9036 120.1250 55.2072 18.8477 179.4051 81 E 3.9868 8.0112 117.0192 59.7285 29.4092 179.5020 82 E 4.0503 8.4542 117.3953 58.6747 29.6660 178.9744 83 F 4.3396 7.7085 120.7125 61.1107 39.6887 177.5278 84 L 4.1122 8.3124 118.5325 57.9095 41.1295 179.6031 85 Q 3.9681 8.1045 117.6156 57.9329 28.6354 177.6774 86 T 4.3637 7.5058 107.5904 61.4223 69.4322 174.9159 87 A 4.3989 7.1434 123.5870 53.5864 20.7963 178.5953 88 L 3.6509 8.0949 117.7912 57.4979 41.5184 178.0264 89 P 4.2944 0.0000 0.0000 65.0106 31.3380 177.9583 90 L 4.1813 7.5386 116.0814 55.0893 41.9762 176.5335 91 A 4.7009 7.0907 120.9885 50.1916 21.7333 176.1274 92 E 4.3973 8.3571 120.5012 54.3716 28.8186 176.2616 93 L 4.3795 8.2051 122.2348 54.3199 42.8275 176.4987 94 A 4.7661 8.2553 122.1571 50.9288 22.5521 177.5094 95 T 3.8448 8.6982 116.4024 66.7972 68.6520 177.3383 96 S 4.2529 8.1141 114.4531 61.4045 62.9107 175.0871 97 Q 4.3845 8.3240 117.3343 56.2921 28.2127 174.9174 98 F 5.0746 7.8666 117.2704 55.3963 41.0093 175.3939 99 D 4.6551 9.5386 125.5879 54.0927 41.6803 176.8367 100 D 4.5057 8.5474 122.1408 56.9080 41.1017 177.9293 101 T 4.1634 7.7169 115.1081 64.1613 68.9220 175.2583 102 G 4.3159 7.9235 110.3711 46.2675 0.0000 172.9514 103 N 5.2931 8.2696 114.6130 51.0544 42.7612 173.4777 104 F 5.0682 8.0699 112.9307 54.9673 41.6301 173.3557 105 S 4.7947 8.5386 114.5739 56.5974 65.4235 172.6680 106 F 4.9708 8.6760 121.1522 55.1623 41.3578 173.5384 107 G 3.9276 8.9377 103.0866 43.7760 0.0000 173.5298 *128 L 4.1525 8.2080 124.9389 55.1796 43.0291 176.4893 129 D 5.0444 9.0702 126.5299 52.6575 43.9024 175.9109 130 V 4.1590 8.1023 121.0337 61.4837 34.4173 174.1074 131 T 4.5532 8.3635 125.1721 61.5390 70.8713 173.7070 132 V 4.3875 8.0247 126.3789 61.0595 34.0842 173.8127 133 N 4.9164 9.2084 128.7207 52.4829 39.8718 173.5548 134 L 5.2415 8.2860 126.3533 53.3382 44.4846 175.9787 135 V 4.2160 8.0697 120.4832 61.0425 35.4886 172.7180 136 R 4.5724 8.2808 119.3019 54.3756 31.4285 176.4621 137 P 4.2801 0.0000 0.0000 64.9824 31.7907 177.0413 138 G 4.2307 7.9477 107.8824 45.0244 0.0000 175.0069 139 Y 4.3777 8.2851 122.7459 60.1382 38.9139 176.1280 140 R 3.7888 8.2405 119.5224 59.6770 29.8340 178.1002 141 V 3.5390 7.5048 116.0370 65.3655 31.1333 177.0372 142 A 4.3852 7.7376 119.9700 51.3591 19.6360 177.4602 143 K 4.1935 7.4086 114.4950 56.0165 33.1451 176.6329 144 R 4.3523 7.6000 115.9136 55.2175 30.8390 176.7659 145 D 4.4191 8.5386 118.5427 57.2974 41.0968 177.6596 146 K 4.0485 7.9843 118.3482 57.4376 32.7632 177.0119 147 A 3.5969 8.6124 124.2154 52.4691 16.2943 177.0988 148 S 4.5102 7.1919 112.9096 60.6022 63.8795 173.6000 149 R 4.6500 9.0816 120.1864 55.0465 33.7167 174.0919 150 S 4.3654 8.5413 119.2040 58.0221 63.4923 173.5980 151 I 4.0313 8.2417 126.9679 60.0621 37.7195 174.4647 152 P 4.4414 0.0000 0.0000 62.6027 31.5298 177.5008 153 T 3.9734 8.5957 111.7754 64.9726 68.0990 176.7808 154 K 4.0341 8.0122 120.4307 59.1775 32.3051 177.6391 155 H 4.5015 8.0446 115.6153 55.6796 30.4826 175.3719 156 R 4.1754 6.9793 118.9473 56.1155 30.6521 176.3531 157 L 4.1227 8.3091 123.4146 55.2194 43.0011 176.2508 158 N 5.1344 8.2275 119.8028 50.7009 42.7646 174.2697 159 P 4.3899 0.0000 0.0000 65.7628 31.5971 179.0552 160 A 3.9232 7.8561 119.2078 55.2247 18.4104 179.2893 161 D 4.3605 7.9753 116.6970 56.9793 40.9376 178.8112 162 A 4.0454 8.4409 122.0221 55.2190 18.5130 179.6181 163 V 3.1876 7.5762 116.5290 65.9780 31.3778 177.8925 164 A 3.9047 7.7537 119.8796 55.2030 18.0355 179.2031 165 F 4.0646 7.9388 117.4751 61.5819 39.6639 177.1840 166 I 3.7379 7.8895 119.1530 64.5013 36.7930 178.0886 167 E 4.1192 8.2070 120.3089 58.4993 29.3520 178.0219 168 S 4.5593 7.7876 110.3985 58.0098 63.1674 174.9743 169 T 4.3267 7.7119 117.9022 63.1224 70.1008 172.8331 170 Y 3.6131 8.8467 119.2325 57.6246 35.1438 168.2911 171 D 4.3375 7.2603 118.5175 53.0491 41.5407 174.7565 172 V 4.2055 8.0846 119.7904 61.9510 34.3463 175.6526 173 E 4.5115 7.8047 117.7339 55.7468 28.5169 176.0183 174 V 3.6954 8.5253 117.6075 62.8958 31.4900 174.8584 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 10 F 8.31 4.91 0.00 3.22 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 H 7.48 4.24 0.00 2.96 2.26 0.00 5.46 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 12 E 8.48 3.98 0.00 1.70 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 2.24 2.22 0.00 13 M 7.74 4.59 0.00 2.07 2.07 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 2.58 2.49 0.00 14 R 7.67 4.48 0.00 1.80 1.83 0.00 3.26 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.70 0.00 15 E 7.93 4.02 0.00 2.15 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 2.44 2.27 0.00 16 P 0.00 4.35 0.00 0.97 1.58 0.00 3.69 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 17 R 8.04 4.36 0.00 1.84 1.91 0.00 2.76 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 18 I 8.14 4.54 1.95 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.80 0.95 0.00 0.00 19 E 9.43 4.21 0.00 1.89 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 2.26 2.09 0.00 20 K 7.49 4.66 0.00 1.77 1.82 0.00 1.46 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.32 1.33 7.81 21 V 8.67 4.62 1.99 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 0.80 0.00 0.00 0.97 0.00 0.00 22 V 8.55 4.61 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 0.81 0.00 0.00 0.84 0.00 0.00 23 V 8.10 4.66 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 0.08 0.00 0.00 0.65 0.00 0.00 24 H 8.95 5.23 0.00 3.10 2.97 0.00 5.52 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 25 M 8.64 4.61 0.00 1.88 1.85 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 2.43 2.39 0.00 26 G 8.34 3.32 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 27 I 8.63 3.81 1.92 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.68 0.69 0.00 0.00 28 G 6.10 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 0.00 0.00 0.00 0.00 29 H 7.30 4.40 0.00 3.20 3.39 0.00 5.76 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 *35 A 6.96 4.26 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 36 N 8.07 4.50 0.00 2.85 2.97 0.00 0.00 5.82 7.26 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 37 A 7.77 4.64 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 38 E 8.10 3.81 0.00 1.97 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 2.31 2.44 0.00 39 D 8.18 4.43 0.00 2.71 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 40 I 7.37 3.99 1.88 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 1.73 0.64 0.92 0.00 0.00 41 L 7.95 4.08 0.00 1.85 1.72 0.87 0.87 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 42 G 8.11 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 0.00 0.00 0.00 43 E 7.45 4.17 0.00 2.16 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 2.32 2.51 0.00 44 I 8.01 3.95 1.96 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.83 1.14 0.00 0.00 45 T 7.62 4.43 4.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 46 G 7.47 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 0.00 0.00 0.00 47 Q 7.28 4.68 0.00 2.07 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.76 0.00 0.00 0.00 0.00 0.00 2.18 2.20 0.00 48 M 8.44 4.06 0.00 1.98 2.00 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 2.57 2.51 0.00 49 P 0.00 4.89 0.00 2.08 1.99 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.12 0.00 50 V 8.15 4.55 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 0.76 0.00 0.00 0.97 0.00 0.00 51 R 8.59 4.56 0.00 1.68 1.86 0.00 3.30 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.60 0.00 52 T 8.69 4.59 4.36 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 1.20 0.00 0.00 53 K 8.98 5.26 0.00 1.73 1.39 0.00 1.83 0.00 0.00 1.31 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.37 7.81 54 A 7.78 4.35 1.21 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 55 K 7.94 4.55 0.00 1.68 1.65 0.00 1.85 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.31 1.42 7.81 56 R 8.70 3.91 0.00 1.96 1.98 0.00 3.21 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.63 0.00 57 T 8.55 3.89 4.23 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 1.19 0.00 0.00 58 V 8.44 4.36 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 0.98 0.00 0.00 0.98 0.00 0.00 59 G 8.76 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 0.00 0.00 0.00 60 E 8.05 4.22 0.00 2.14 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 0.00 2.30 2.33 0.00 61 F 7.98 3.79 0.00 3.03 3.10 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 62 D 7.88 4.74 0.00 2.92 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 63 I 7.46 3.66 1.79 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.53 0.84 0.00 0.00 64 R 7.60 3.88 0.00 1.68 2.00 0.00 3.18 0.00 0.00 3.25 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 65 E 8.35 3.93 0.00 1.94 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 2.37 2.28 0.00 66 G 7.63 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 0.00 0.00 0.00 67 D 8.19 4.69 0.00 2.65 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 68 P 0.00 4.62 0.00 1.95 2.05 0.00 3.61 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.13 0.00 69 I 9.23 4.60 2.02 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 1.16 0.88 0.93 0.00 0.00 70 G 7.75 4.36 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 0.00 71 A 8.21 5.35 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.90 5.10 0.00 1.76 1.87 0.00 1.20 0.00 0.00 1.51 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.28 1.33 7.81 73 V 8.66 4.62 1.91 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 0.88 0.00 0.00 0.85 0.00 0.00 74 T 8.58 4.66 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 75 L 8.73 4.65 0.00 1.54 1.63 0.56 0.64 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 76 R 7.97 4.82 0.00 1.62 1.77 0.00 3.32 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.61 0.00 77 D 8.98 4.43 0.00 2.89 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 9.09 3.96 0.00 2.02 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 2.43 2.44 0.00 79 M 8.29 4.04 0.00 2.02 2.15 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 2.70 2.59 0.00 80 A 7.90 3.99 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 81 E 8.01 3.99 0.00 2.03 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 0.00 2.42 2.43 0.00 82 E 8.45 4.05 0.00 1.96 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 0.00 2.36 2.45 0.00 83 F 7.71 4.34 0.00 3.37 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 84 L 8.31 4.11 0.00 1.84 1.84 1.13 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.10 3.97 0.00 1.93 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.84 0.00 0.00 0.00 0.00 0.00 2.13 2.47 0.00 86 T 7.51 4.36 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 1.13 0.00 0.00 87 A 7.14 4.40 0.81 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 88 L 8.09 3.65 0.00 1.75 1.67 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.29 0.00 1.96 2.08 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.13 0.00 90 L 7.54 4.18 0.00 1.71 1.74 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.09 4.70 0.94 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 92 E 8.36 4.40 0.00 1.97 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 2.22 2.30 0.00 93 L 8.21 4.38 0.00 1.63 1.70 0.82 0.77 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 94 A 8.26 4.77 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 95 T 8.70 3.84 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 1.17 0.00 0.00 96 S 8.11 4.25 0.00 4.04 4.06 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 97 Q 8.32 4.38 0.00 2.54 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.81 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 98 F 7.87 5.07 0.00 3.15 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 9.54 4.66 0.00 2.75 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 0.00 100 D 8.55 4.51 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 0.00 101 T 7.72 4.16 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 1.23 0.00 0.00 102 G 7.92 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 0.00 103 N 8.27 5.29 0.00 2.74 2.73 0.00 0.00 6.49 8.13 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 0.00 104 F 8.07 5.07 0.00 2.57 1.45 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 0.00 105 S 8.54 4.79 0.00 3.67 3.62 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 0.00 106 F 8.68 4.97 0.00 3.13 3.34 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 0.00 107 G 8.94 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 *128 L 8.21 4.15 0.00 1.69 1.66 0.96 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 129 D 9.07 5.04 0.00 2.55 2.45 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 0.00 130 V 8.10 4.16 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.88 0.00 0.00 131 T 8.36 4.55 4.06 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 1.04 0.00 0.00 132 V 8.02 4.39 1.16 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 1.06 0.00 0.00 0.71 0.00 0.00 133 N 9.21 4.92 0.00 2.71 2.68 0.00 0.00 6.65 6.68 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 0.00 134 L 8.29 5.24 0.00 1.71 1.43 1.23 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.07 4.22 1.49 0.00 0.00 0.00 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 0.46 0.00 0.00 136 R 8.28 4.57 0.00 1.73 1.79 0.00 3.08 0.00 0.00 3.08 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.53 0.00 137 P 0.00 4.28 0.00 2.06 2.17 0.00 3.61 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 2.02 2.11 0.00 138 G 7.95 4.23 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 0.00 139 Y 8.29 4.38 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 R 8.24 3.79 0.00 1.92 1.94 0.00 3.24 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.69 0.00 141 V 7.50 3.54 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 0.97 0.00 0.00 0.95 0.00 0.00 142 A 7.74 4.39 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 K 7.41 4.19 0.00 1.58 1.74 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.81 0.00 0.00 3.07 0.00 0.00 0.00 0.00 0.68 1.14 7.81 144 R 7.60 4.35 0.00 1.89 1.92 0.00 3.03 0.00 0.00 3.19 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.66 0.00 145 D 8.54 4.42 0.00 2.67 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 K 7.98 4.05 0.00 1.80 1.70 0.00 1.77 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.42 7.81 147 A 8.61 3.60 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 0.00 148 S 7.19 4.51 0.00 3.96 4.07 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 0.00 149 R 9.08 4.65 0.00 1.85 1.72 0.00 3.12 0.00 0.00 3.08 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.61 0.00 150 S 8.54 4.37 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 0.00 151 I 8.24 4.03 1.98 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 1.47 1.15 1.02 0.00 0.00 152 P 0.00 4.44 0.00 2.21 2.00 0.00 3.63 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 153 T 8.60 3.97 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 1.23 0.00 0.00 154 K 8.01 4.03 0.00 1.77 1.95 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.10 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.47 1.58 7.81 155 H 8.04 4.50 0.00 3.16 3.35 0.00 5.94 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 6.98 4.18 0.00 2.09 1.87 0.00 3.43 0.00 0.00 3.21 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.75 0.00 157 L 8.31 4.12 0.00 1.52 1.77 0.85 1.05 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 0.00 158 N 8.23 5.13 0.00 2.95 2.67 0.00 0.00 6.92 8.03 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 0.00 159 P 0.00 4.39 0.00 2.15 2.16 0.00 3.61 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.38 0.00 160 A 7.86 3.92 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 0.00 161 D 7.98 4.36 0.00 2.83 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 0.00 162 A 8.44 4.05 1.68 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 0.00 0.00 163 V 7.58 3.19 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 -0.10 0.00 0.00 164 A 7.75 3.90 1.44 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 0.00 165 F 7.94 4.06 0.00 3.04 3.32 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 0.00 166 I 7.89 3.74 1.84 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.98 0.85 0.00 0.00 167 E 8.21 4.12 0.00 1.90 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 0.00 2.25 2.35 0.00 168 S 7.79 4.56 0.00 3.90 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 0.00 169 T 7.71 4.33 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 170 Y 8.85 3.61 0.00 3.09 3.10 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 0.00 171 D 7.26 4.34 0.00 2.80 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 0.00 172 V 8.08 4.21 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 0.81 0.00 0.00 0.90 0.00 0.00 173 E 7.80 4.51 0.00 1.98 1.16 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 2.23 2.21 0.00 174 V 8.53 3.70 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 0.76 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.