NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 E 4.2597 8.3027 120.2157 56.2516 31.7410 177.3031 16 R 3.5749 7.7252 118.4247 58.0641 30.0020 173.2386 17 E 4.7775 8.2957 117.9327 55.8389 31.3729 175.1151 18 G 4.2265 8.3573 104.1159 42.3753 0.0000 174.2229 19 I 3.6331 8.2503 124.3517 64.4740 37.9682 176.9931 20 L 3.9644 8.0031 119.3855 58.3172 42.1558 177.9528 21 F 4.2843 8.4482 118.9932 62.0432 39.2991 177.3306 22 T 3.8496 8.1730 113.9436 67.2633 68.0579 175.9932 23 T 4.1615 8.1975 115.4820 64.6402 68.4570 176.6194 24 L 3.9846 8.2372 122.7304 57.2878 42.0724 178.6735 25 E 3.8816 7.7043 116.3217 58.5985 29.3543 178.4650 26 K 4.1253 7.9424 119.4913 58.2816 32.3065 179.0845 27 L 3.9458 7.2209 120.1098 57.7330 41.6358 179.1032 28 V 3.5962 8.4286 118.4086 66.1353 31.3333 177.8634 29 A 4.0110 7.7680 120.1280 55.1447 18.1256 179.4406 30 W 4.1341 7.9822 124.9497 60.7833 30.8941 177.7263 31 G 3.8545 8.5204 106.7032 47.4661 0.0000 174.7356 32 R 4.7556 8.1545 118.6727 55.4158 29.8603 177.4531 33 S 3.9873 7.7661 114.7416 60.2190 62.5070 174.1689 34 N 4.8341 7.8994 114.9026 53.0733 40.3408 174.7828 35 S 4.6957 7.6123 112.7279 57.7926 63.6200 173.5805 36 L 4.8341 7.7820 120.7365 55.0373 41.6140 176.9044 37 W 5.3052 10.0634 135.0000 54.4772 31.4225 171.8313 38 P 4.5960 0.0000 0.0000 62.4718 31.8058 176.0768 39 A 4.4048 8.6333 125.6838 49.4129 19.7102 175.0306 40 T 4.0829 8.1860 114.7162 62.4727 68.4189 173.4876 41 F 4.8868 8.7293 127.4310 56.3504 38.9469 173.8393 42 G 3.5461 7.9883 107.5573 48.0327 0.0000 169.2943 43 L 4.3116 9.1231 121.4389 54.5230 43.6051 178.4834 44 A 4.6770 8.9277 135.0000 53.2514 20.3529 180.2220 45 C 3.4792 8.4089 106.5901 61.9898 30.5969 176.5684 46 C 4.1346 8.2735 117.9139 62.3759 27.3757 175.5135 47 A 3.9728 8.6641 122.9934 55.4078 18.1796 179.3432 48 I 3.9261 7.5167 117.2662 63.5914 37.1525 177.6007 49 E 4.2170 8.0803 118.4734 57.7277 30.1459 176.6619 50 M 4.2476 7.8118 118.1387 58.1692 32.6510 176.7679 51 M 4.6026 7.4452 115.7472 55.6848 31.7238 176.6332 52 A 4.6928 7.9179 120.5787 51.4263 21.1649 177.7086 53 S 4.6209 8.0791 109.8698 59.3614 64.5064 176.8577 54 T 4.0487 7.8486 116.9191 66.1696 68.3707 175.0770 55 D 4.5304 7.9989 118.6379 55.2957 41.3859 176.9202 56 A 4.4072 7.4094 120.5602 53.0759 20.9343 178.5136 57 R 3.9693 8.3270 109.9001 56.8595 28.3586 178.2034 *74 Q 4.1455 9.1048 109.7082 55.3082 30.5778 174.3365 75 A 5.1016 8.5816 124.7066 50.2824 22.3322 174.5196 76 D 4.9549 8.4646 120.5834 52.8072 42.2537 174.8288 77 V 4.4000 8.7173 118.6357 64.8861 28.7403 168.7995 78 M 5.0192 7.7635 119.3704 54.2182 33.3596 176.2572 79 I 4.7395 8.3726 124.2638 59.7858 39.4333 174.8472 80 V 4.3076 8.9962 129.0310 62.2555 32.5033 174.6227 81 A 4.8608 9.7560 131.1871 47.8995 19.1322 174.8969 82 G 4.5924 8.5529 107.7633 42.2138 0.0000 170.6185 83 R 3.9132 8.0999 117.4835 56.5430 29.9002 176.1998 84 L 4.4104 8.5554 126.9342 53.5380 42.9404 175.7822 85 S 4.6248 8.5118 121.5657 58.1138 63.3100 175.1396 86 K 4.0474 8.2784 123.1247 59.0014 31.7978 179.5341 87 K 4.0977 7.6761 119.2790 59.5738 32.4114 178.3213 88 M 4.2029 8.0280 117.2753 57.6107 32.2086 177.8169 89 A 3.9695 7.6291 121.8202 54.8695 18.5300 177.6788 90 P 4.2343 0.0000 0.0000 66.1484 30.9976 178.4040 91 V 3.6542 7.7747 117.6472 66.1215 31.6070 177.3876 92 M 3.8326 8.1342 117.6218 58.3341 31.8724 178.0743 93 R 3.8088 7.8678 119.0998 59.6445 30.2300 178.4844 94 R 4.1804 7.8081 119.0265 58.7397 29.9302 179.0382 95 V 3.5806 7.5497 116.8905 65.8980 31.4385 177.7365 96 W 4.1184 7.7981 126.3479 60.4221 30.4494 177.3612 97 E 3.9085 8.6094 118.6343 59.2824 29.7477 178.8154 98 Q 4.2389 7.9399 116.6377 55.9449 27.8854 174.3708 99 M 4.7129 7.0249 116.1826 52.3458 36.1645 172.8219 100 P 4.4208 0.0000 0.0000 62.8628 32.1236 174.2343 101 D 4.3081 8.3506 114.9279 55.6505 42.2398 175.2383 102 P 3.9165 0.0000 0.0000 62.6139 30.4328 175.4176 103 K 4.4590 6.8408 120.9765 54.8529 35.7924 175.5574 104 W 6.0188 8.6957 119.5478 54.2101 34.0848 173.9410 105 V 4.8939 8.8052 121.5217 61.3121 34.0555 174.0556 106 I 4.9465 8.6596 128.4532 59.5636 39.9613 174.4765 107 S 5.0890 8.6237 121.1497 56.8436 65.2937 172.5340 108 M 4.5742 9.2492 125.4506 54.6283 33.1591 176.7948 109 G 4.4440 9.0503 116.3293 43.7951 0.0000 173.5528 110 A 4.0023 8.6576 120.5747 55.6243 18.1810 180.0262 111 C 4.2534 8.1822 111.0264 62.7458 28.8101 175.4369 112 A 4.1685 8.1593 122.2733 55.2226 17.6704 178.8204 113 S 4.4034 7.6283 111.8869 61.0669 63.9699 177.0859 114 S 5.3428 7.6652 115.4884 56.1872 65.4062 174.8256 115 G 4.3152 8.1474 107.7733 45.7848 0.0000 175.6631 116 G 3.8469 7.6531 108.3410 45.4179 0.0000 174.4301 117 M 4.0974 8.2809 116.7441 56.4199 31.4663 177.0008 118 F 4.6378 7.1790 118.6177 56.0085 37.8678 173.4503 119 N 4.7388 7.8503 122.0133 51.5441 38.6647 173.0624 120 N 4.5892 7.8407 121.5191 52.1377 39.7646 175.0731 121 Y 4.2286 9.3298 115.5296 59.5122 37.9256 176.7828 122 A 4.2498 7.1167 121.2060 51.6383 19.9575 176.0971 123 I 4.6426 6.9352 115.1382 58.6746 40.2331 175.7325 124 V 3.6850 8.0364 124.8722 63.3730 31.4458 175.6523 125 Q 4.4127 8.6608 124.6067 54.8955 29.0880 174.5047 126 N 5.3574 7.5962 122.2445 53.0386 41.3925 175.2804 127 V 3.8282 8.0523 127.0455 65.4332 31.7079 176.9392 128 D 5.2733 8.5999 117.7349 55.8047 41.0910 177.1791 129 S 4.2911 8.4378 114.7083 61.2452 63.0443 175.3834 130 V 4.1950 7.4661 111.2679 61.6423 33.9956 176.3598 131 V 3.5692 7.7569 112.0019 58.1948 35.1761 172.5879 132 P 4.4305 0.0000 0.0000 62.8036 30.9542 176.1138 133 V 3.7499 8.4520 124.5944 62.4433 32.2500 175.4734 134 D 4.6783 8.9988 127.5700 56.3572 42.2640 176.7044 135 V 4.7711 7.5535 116.6700 61.1240 35.3582 173.5367 136 Y 5.2095 8.8090 123.6117 56.0774 40.7094 175.4263 137 V 4.5126 8.6845 124.1108 58.9507 33.3954 173.4337 138 P 4.6132 0.0000 0.0000 62.6558 32.0853 175.0491 139 G 4.2565 7.7946 107.7367 44.4479 0.0000 172.2902 140 C 5.1358 7.7745 121.8072 57.2200 31.9904 171.3526 141 P 4.7659 0.0000 0.0000 59.7818 33.2212 174.5394 142 P 4.3892 0.0000 0.0000 61.9771 32.0291 176.1637 143 R 3.9849 8.5752 121.3790 56.1054 30.8338 175.2950 144 P 4.2940 0.0000 0.0000 65.6936 31.1386 178.5851 145 E 4.1626 8.1954 115.4309 58.0362 29.4383 178.3561 146 A 4.0841 7.6614 121.4905 54.1178 18.7817 179.0909 147 L 4.0817 7.7782 118.7997 57.7039 42.1356 179.3544 148 I 3.7384 7.7096 119.7958 64.6888 37.2118 177.3302 149 Y 4.0299 7.6917 119.7409 60.7094 38.3524 178.1361 150 A 4.0659 8.0836 121.7649 54.9582 18.4095 179.6148 151 V 3.7812 7.4685 109.0173 63.6281 31.9569 178.5616 152 M 3.8939 7.8075 118.4615 57.9217 31.6614 178.2827 153 Q 3.7061 7.5094 119.8790 58.9167 29.2531 177.7439 154 L 3.9153 7.6636 121.0167 57.7554 41.8769 178.5199 155 Q 3.6994 7.9881 120.3887 58.8135 29.1718 177.3220 156 K 3.9408 8.0358 119.4097 57.9065 32.1451 178.0470 157 K 4.0392 7.4954 118.7157 59.0911 32.4114 178.3880 158 V 3.7448 7.0788 111.3030 63.4740 31.6419 177.4348 159 R 4.0113 7.4887 117.9338 56.6841 30.0277 176.6127 160 G 3.8046 8.0609 106.1796 47.1507 0.0000 173.8260 161 Q 4.4153 7.9121 117.3119 54.9739 29.8163 174.5070 162 A 4.6471 7.4365 117.8450 49.8396 21.8846 175.6138 163 Y 5.7450 8.6468 118.3648 55.0097 41.6969 175.6841 164 N 4.8183 8.4491 119.2859 52.2038 39.1985 175.2154 165 E 4.2124 8.5916 116.1387 58.4776 29.7760 178.3985 166 R 4.0474 7.8856 117.4439 57.4135 30.3370 177.2008 167 G 3.9901 7.7207 103.6783 45.2685 0.0000 174.0434 168 E 4.2893 8.4144 120.4765 55.8366 30.3306 175.8379 169 R 4.3379 8.7175 123.6435 56.3941 30.9604 175.2825 170 L 4.8266 8.5463 126.8380 52.1128 43.4966 174.6699 171 P 4.2558 0.0000 0.0000 62.6740 31.1004 174.2437 172 P 4.6461 0.0000 0.0000 64.9521 31.5434 176.6233 173 V 4.3433 7.6460 115.1451 60.9436 33.7577 175.9099 174 A 4.3888 8.1190 130.8385 50.2382 16.9620 177.4671 175 A 4.2008 7.4966 125.2971 51.9361 19.1206 176.7080 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 15 E 8.30 4.26 0.00 1.84 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 2.22 2.23 0.00 16 R 7.73 3.57 0.00 1.75 2.03 0.00 3.46 0.00 0.00 3.32 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.75 0.00 17 E 8.30 4.78 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 2.23 2.38 0.00 18 G 8.36 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 19 I 8.25 3.63 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 1.53 1.57 0.92 0.00 0.00 20 L 8.00 3.96 0.00 1.70 1.69 0.95 0.70 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 21 F 8.45 4.28 0.00 3.08 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 22 T 8.17 3.85 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 1.19 0.00 0.00 23 T 8.20 4.16 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 1.17 0.00 0.00 24 L 8.24 3.98 0.00 1.83 1.62 0.93 0.88 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 25 E 7.70 3.88 0.00 2.00 1.76 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 2.17 2.23 0.00 26 K 7.94 4.13 0.00 1.81 1.89 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.41 1.66 7.81 27 L 7.22 3.95 0.00 2.15 1.69 0.89 0.66 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 28 V 8.43 3.60 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 1.12 0.00 0.00 0.99 0.00 0.00 29 A 7.77 4.01 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 7.98 4.13 0.00 3.53 3.29 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 31 G 8.52 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.15 4.76 0.00 2.07 2.11 0.00 3.31 0.00 0.00 3.11 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.64 0.00 33 S 7.77 3.99 0.00 3.60 3.80 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 0.00 0.00 0.00 0.00 34 N 7.90 4.83 0.00 2.62 2.70 0.00 0.00 6.90 7.73 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 35 S 7.61 4.70 0.00 3.96 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 36 L 7.78 4.83 0.00 1.61 1.62 0.64 0.47 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 37 W 10.06 5.31 0.00 3.23 3.02 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 38 P 0.00 4.60 0.00 1.80 1.91 0.00 3.55 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.09 0.00 39 A 8.63 4.40 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 0.00 0.00 0.00 0.00 0.00 40 T 8.19 4.08 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 1.14 0.00 0.00 41 F 8.73 4.89 0.00 3.11 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 42 G 7.99 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.12 4.31 0.00 1.49 1.44 1.08 0.88 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 44 A 8.93 4.68 1.18 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 0.00 0.00 45 C 8.41 3.48 0.00 3.14 3.19 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 46 C 8.27 4.13 0.00 3.07 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 47 A 8.66 3.97 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 48 I 7.52 3.93 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 1.39 1.11 0.90 0.00 0.00 49 E 8.08 4.22 0.00 1.91 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 2.37 2.36 0.00 50 M 7.81 4.25 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.49 0.00 51 M 7.45 4.60 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 2.46 0.00 52 A 7.92 4.69 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 53 S 8.08 4.62 0.00 4.01 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 54 T 7.85 4.05 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 1.17 0.00 0.00 55 D 8.00 4.53 0.00 2.64 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 56 A 7.41 4.41 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 57 R 8.33 3.97 0.00 1.93 1.73 0.00 3.20 0.00 0.00 3.29 7.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.71 0.00 *74 Q 9.10 4.15 0.00 2.14 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.76 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 75 A 8.58 5.10 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 76 D 8.46 4.95 0.00 3.17 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 77 V 8.72 4.40 2.17 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 1.01 0.00 0.00 1.13 0.00 0.00 78 M 7.76 5.02 0.00 2.16 2.19 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 79 I 8.37 4.74 1.89 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 1.25 0.64 0.93 0.00 0.00 80 V 9.00 4.31 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.90 0.00 0.00 81 A 9.76 4.86 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 82 G 8.55 4.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 R 8.10 3.91 0.00 1.73 1.96 0.00 3.02 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.39 0.00 84 L 8.56 4.41 0.00 1.76 1.63 0.93 0.86 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 85 S 8.51 4.62 0.00 3.88 3.68 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 86 K 8.28 4.05 0.00 1.71 1.85 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 87 K 7.68 4.10 0.00 1.74 1.82 0.00 1.80 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.44 7.81 88 M 8.03 4.20 0.00 2.30 2.04 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.69 0.00 89 A 7.63 3.97 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 90 P 0.00 4.23 0.00 2.28 2.34 0.00 3.81 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 2.20 2.04 0.00 91 V 7.77 3.65 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 1.16 0.00 0.00 0.98 0.00 0.00 92 M 8.13 3.83 0.00 2.02 2.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 2.20 0.00 93 R 7.87 3.81 0.00 2.07 2.13 0.00 3.24 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 94 R 7.81 4.18 0.00 2.03 2.00 0.00 3.24 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.53 0.00 95 V 7.55 3.58 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 0.75 0.00 0.00 1.04 0.00 0.00 96 W 7.80 4.12 0.00 3.24 3.38 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 97 E 8.61 3.91 0.00 2.26 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 2.66 2.97 0.00 98 Q 7.94 4.24 0.00 2.02 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.70 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 99 M 7.02 4.71 0.00 1.56 1.82 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 100 P 0.00 4.42 0.00 2.15 2.06 0.00 3.75 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 101 D 8.35 4.31 0.00 2.51 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 0.00 102 P 0.00 3.92 0.00 2.04 1.94 0.00 3.60 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 103 K 6.84 4.46 0.00 1.48 1.41 0.00 0.89 0.00 0.00 1.52 0.00 0.00 2.15 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.01 1.13 7.81 104 W 8.70 6.02 0.00 3.28 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 0.00 105 V 8.81 4.89 2.26 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 1.04 0.00 0.00 1.16 0.00 0.00 106 I 8.66 4.95 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 1.29 0.52 0.92 0.00 0.00 107 S 8.62 5.09 0.00 3.90 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 0.00 108 M 9.25 4.57 0.00 2.16 2.05 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.55 0.00 109 G 9.05 4.44 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 0.00 110 A 8.66 4.00 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 0.00 111 C 8.18 4.25 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 0.00 112 A 8.16 4.17 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 0.00 113 S 7.63 4.40 0.00 4.00 3.98 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 0.00 114 S 7.67 5.34 0.00 4.02 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 0.00 115 G 8.15 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 0.00 116 G 7.65 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 117 M 8.28 4.10 0.00 1.77 1.87 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.81 0.00 118 F 7.18 4.64 0.00 3.28 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 0.00 119 N 7.85 4.74 0.00 2.66 2.76 0.00 0.00 7.13 7.79 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 0.00 120 N 7.84 4.59 0.00 3.12 3.01 0.00 0.00 5.88 7.57 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 0.00 121 Y 9.33 4.23 0.00 3.16 3.13 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 0.00 122 A 7.12 4.25 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 I 6.94 4.64 1.86 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 1.06 0.56 0.93 0.00 0.00 124 V 8.04 3.68 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 0.75 0.00 0.00 nan 0.00 0.00 125 Q 8.66 4.41 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.93 0.00 0.00 0.00 0.00 0.00 2.56 2.29 0.00 126 N 7.60 5.36 0.00 2.79 2.74 0.00 0.00 7.31 7.71 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 0.00 127 V 8.05 3.83 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 0.87 0.00 0.00 1.02 0.00 0.00 128 D 8.60 5.27 0.00 2.73 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 0.00 129 S 8.44 4.29 0.00 3.87 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 0.00 130 V 7.47 4.19 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.00 0.00 0.84 0.00 0.00 131 V 7.76 3.57 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 0.00 0.00 0.22 0.00 0.00 0.69 0.00 0.00 132 P 0.00 4.43 0.00 2.11 2.07 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 133 V 8.45 3.75 1.51 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 -0.11 0.00 0.00 0.79 0.00 0.00 134 D 9.00 4.68 0.00 2.96 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 V 7.55 4.77 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 1.06 0.00 0.00 0.94 0.00 0.00 136 Y 8.81 5.21 0.00 2.81 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 0.00 137 V 8.68 4.51 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 0.95 0.00 0.00 1.00 0.00 0.00 138 P 0.00 4.61 0.00 2.10 2.11 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 139 G 7.79 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 0.00 0.00 0.00 0.00 140 C 7.77 5.14 0.00 2.89 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 0.00 141 P 0.00 4.77 0.00 2.23 2.06 0.00 3.83 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 142 P 0.00 4.39 0.00 2.22 2.31 0.00 3.83 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 143 R 8.58 3.98 0.00 1.85 1.88 0.00 3.17 0.00 0.00 3.30 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.69 0.00 144 P 0.00 4.29 0.00 2.20 2.08 0.00 3.65 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 2.11 2.17 0.00 145 E 8.20 4.16 0.00 2.06 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 2.40 2.44 0.00 146 A 7.66 4.08 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 0.00 147 L 7.78 4.08 0.00 1.67 1.86 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 148 I 7.71 3.74 2.09 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 1.54 0.72 0.95 0.00 0.00 149 Y 7.69 4.03 0.00 3.04 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 0.00 150 A 8.08 4.07 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 0.00 151 V 7.47 3.78 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 0.84 0.00 0.00 0.95 0.00 0.00 152 M 7.81 3.89 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.45 0.00 153 Q 7.51 3.71 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.79 0.00 0.00 0.00 0.00 0.00 2.31 2.32 0.00 154 L 7.66 3.92 0.00 1.66 1.51 0.86 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 155 Q 7.99 3.70 0.00 2.15 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.64 0.00 0.00 0.00 0.00 0.00 2.23 2.16 0.00 156 K 8.04 3.94 0.00 1.70 1.84 0.00 1.62 0.00 0.00 1.48 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.52 7.81 157 K 7.50 4.04 0.00 1.92 1.78 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.36 1.43 7.81 158 V 7.08 3.74 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 -0.55 0.00 0.00 0.62 0.00 0.00 159 R 7.49 4.01 0.00 1.66 1.99 0.00 3.05 0.00 0.00 3.16 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 160 G 8.06 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 Q 7.91 4.42 0.00 2.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.53 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 162 A 7.44 4.65 1.14 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 0.00 163 Y 8.65 5.74 0.00 2.84 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 0.00 164 N 8.45 4.82 0.00 3.00 3.05 0.00 0.00 6.05 7.66 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 0.00 165 E 8.59 4.21 0.00 2.01 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 2.34 2.29 0.00 166 R 7.89 4.05 0.00 2.00 2.00 0.00 3.16 0.00 0.00 3.51 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.60 0.00 167 G 7.72 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 0.00 0.00 0.00 168 E 8.41 4.29 0.00 2.13 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 2.44 2.47 0.00 169 R 8.72 4.34 0.00 2.02 1.91 0.00 3.22 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 1.51 1.31 0.00 170 L 8.55 4.83 0.00 1.60 1.58 0.99 1.11 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 0.00 171 P 0.00 4.26 0.00 2.11 2.11 0.00 3.82 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 2.03 2.04 0.00 172 P 0.00 4.65 0.00 2.25 2.33 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 173 V 7.65 4.34 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 0.54 0.00 0.00 0.37 0.00 0.00 174 A 8.12 4.39 1.32 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 0.00 175 A 7.50 4.20 1.18 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 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.