NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 F 4.8667 8.3093 115.8650 57.2104 40.0605 176.1612 11 H 3.9581 5.9675 117.0085 56.6013 29.0899 173.8835 12 E 3.8933 8.1892 121.3097 58.7602 30.3999 178.9999 13 M 4.7366 7.6890 115.5594 55.5826 32.1335 177.1795 14 R 4.5169 7.5483 117.5510 55.9569 33.2569 175.8201 15 E 3.9466 8.4063 117.7514 55.3321 29.7641 174.8671 16 P 4.2238 0.0000 0.0000 63.1014 32.4572 174.5980 17 R 4.3047 7.9658 115.5698 55.8226 33.3599 173.6392 18 I 4.4112 8.2051 120.2278 60.1268 37.5903 175.7217 19 E 4.2750 9.2416 130.2069 58.6055 30.2299 176.7643 20 K 4.6541 7.4727 114.9651 55.9950 35.8415 174.3268 21 V 4.6353 8.7146 122.5887 61.3478 34.3124 174.4959 22 V 4.5985 8.5884 129.4412 61.3440 32.6609 174.1715 23 V 4.4098 8.0998 121.8061 60.6993 33.0276 174.9385 24 H 5.0826 8.8469 123.4883 55.2639 34.2312 172.2311 25 M 4.4952 8.7455 124.1718 53.4061 34.1032 175.5304 26 G 3.8831 8.3241 112.3870 46.4278 0.0000 171.9419 27 I 4.0035 8.4241 132.7227 60.3133 36.9905 177.7406 28 G 5.0978 8.6597 127.0700 46.4240 0.0000 172.2878 29 H 5.2143 7.7458 120.4970 55.7763 30.9164 173.9903 *35 A 4.4176 7.0693 125.5012 51.8105 19.1798 180.8095 36 N 4.2487 9.3987 120.7181 57.3841 36.8470 175.7190 37 A 4.1909 7.8824 120.8002 53.6315 19.3381 178.8048 38 E 3.9464 8.4971 116.9395 59.6979 29.2426 178.8287 39 D 4.4257 8.1741 117.2598 57.5708 41.1271 178.8192 40 I 4.0535 7.5089 112.8384 64.1606 37.7971 178.3279 41 L 4.0979 7.9942 120.6350 57.2278 41.4771 179.4469 42 G 3.6870 8.0945 104.8514 46.8696 0.0000 175.1080 43 E 4.2853 7.8995 119.7439 58.3494 30.3921 177.9192 44 I 3.9842 7.8404 117.2149 62.9642 38.1889 176.4173 45 T 4.5168 7.9207 107.9628 64.4769 70.1708 174.6842 46 G 3.6957 6.6173 107.9513 44.3812 0.0000 173.0150 47 Q 4.6021 7.4654 115.8974 53.9182 31.9441 174.7058 48 M 4.0653 8.4826 118.1704 55.2571 32.3704 174.6994 49 P 4.8750 0.0000 0.0000 61.8382 33.8092 174.7099 50 V 4.5151 8.5023 119.4537 60.7980 34.6530 175.2336 51 R 4.5546 8.6343 125.0071 56.6897 31.4605 176.2186 52 T 4.5293 8.4952 117.2690 61.9236 71.4007 173.8781 53 K 4.8192 8.7602 125.6705 55.6546 33.7995 175.9717 54 A 4.8062 7.7537 123.2250 50.3382 21.8251 175.6045 55 K 4.6088 7.9287 116.6734 55.3700 36.1611 174.7637 56 R 3.8338 8.6369 125.5372 55.7248 29.8142 176.5397 57 T 4.3812 8.1660 116.1480 63.1898 69.5788 174.6674 58 V 4.4077 9.4396 124.7947 60.8380 34.4943 176.0548 59 G 3.9779 9.2478 117.2432 48.9157 0.0000 173.6474 60 E 4.0338 8.3522 119.6181 58.7344 27.6999 177.4036 61 F 4.1682 7.6051 131.7683 60.6379 38.3287 176.1864 62 D 4.7696 8.4024 123.7854 52.6149 41.1450 175.0905 63 I 3.8543 7.4965 112.0739 60.7920 39.2280 176.7260 64 R 4.0000 7.6875 121.6685 55.3377 27.3179 174.8351 65 E 3.5834 8.3115 126.4182 59.3892 29.9858 175.8356 66 G 4.2566 7.7893 106.7948 45.5184 0.0000 172.2656 67 D 4.6283 8.5837 122.9755 51.8793 41.2739 174.4353 68 P 4.3651 0.0000 0.0000 63.9035 31.4183 176.0383 69 I 4.6444 8.7237 120.5566 61.5177 42.7515 174.3807 70 G 4.2163 7.8208 107.2885 46.3928 0.0000 171.7173 71 A 5.8291 8.2057 117.9946 51.7445 22.9882 175.8744 72 K 5.0969 8.3794 117.9847 55.6154 37.0567 175.0660 73 V 4.6418 9.0539 120.5253 61.4416 34.9715 173.8318 74 T 4.7284 8.5791 118.3654 60.2515 70.0455 173.6204 75 L 4.6860 8.9915 127.4692 53.2214 43.9026 176.1637 76 R 4.7579 7.9577 120.4478 55.2714 33.9541 176.4891 77 D 4.4928 8.8468 120.2834 55.2063 38.5744 175.7298 78 E 3.9597 9.0768 121.3218 61.3354 29.0435 178.6651 79 M 3.9474 8.2810 117.4622 58.6857 31.9565 178.7798 80 A 3.9459 8.0643 120.3765 55.2920 18.6284 179.6036 81 E 3.9657 8.1194 116.5020 59.6313 29.5424 179.1234 82 E 4.0682 8.6742 116.7931 58.2119 29.6702 178.2793 83 F 4.5395 7.5288 121.2868 60.4105 40.0946 177.5889 84 L 4.0721 8.1228 118.4970 57.7907 41.1245 179.4004 85 Q 3.9449 8.2833 118.1681 58.1561 28.6756 177.4941 86 T 4.3647 7.5239 105.9161 61.1698 69.8585 173.9702 87 A 4.3628 7.4256 125.0878 53.9825 20.8319 179.1504 88 L 3.5902 8.1540 116.2641 57.4651 41.7419 178.0867 89 P 4.1730 0.0000 0.0000 65.1002 31.2962 176.8844 90 L 4.3605 7.7577 116.3164 54.5651 41.5543 175.7916 91 A 4.8805 7.9443 121.2890 50.5183 22.2574 176.6260 92 E 4.6211 8.2316 118.1844 53.6437 29.5154 175.7980 93 L 4.0341 7.8854 119.9971 55.0197 42.8163 176.5130 94 A 5.3213 8.2103 122.7650 49.2962 22.7133 177.4072 95 T 3.8099 8.6469 115.8496 66.9163 68.8736 176.5659 96 S 4.3168 8.3355 115.6395 61.7221 62.8974 176.1828 97 Q 4.2448 8.1276 115.4207 56.5086 28.0097 175.3574 98 F 5.1016 8.0712 116.9445 55.4803 41.5273 176.3550 99 D 4.7409 9.8936 123.1258 54.2716 42.3496 174.8367 100 D 4.8937 8.6418 115.5333 55.1491 42.5404 177.1978 101 T 4.2620 8.2440 114.1513 63.6278 69.0382 175.1007 102 G 4.1559 8.5529 109.6600 46.3814 0.0000 172.4811 103 N 5.2871 7.9460 114.7689 51.2186 42.7999 173.2853 104 F 4.4226 7.5387 110.7859 57.0124 41.2260 173.1318 105 S 4.9665 8.6445 115.1438 56.5699 65.3964 172.7258 106 F 4.9396 8.7627 120.8850 55.8345 41.2756 174.8813 107 G 3.8735 8.7731 104.8153 44.3514 0.0000 173.1515 *128 L 4.1196 8.1661 124.5837 55.2338 43.0034 176.8588 129 D 4.8423 8.9003 126.8017 52.8650 43.7006 176.1466 130 V 4.1104 7.9869 120.9281 61.5610 34.4466 174.0867 131 T 4.5849 8.1982 124.6376 61.5754 71.3128 173.8982 132 V 4.4277 7.7872 125.4635 61.1043 34.1870 173.8242 133 N 4.8765 9.1527 128.8526 52.4403 39.8805 173.5435 134 L 5.2988 8.3381 126.4267 53.3795 44.4394 176.0407 135 V 4.2476 8.0661 120.5294 60.9894 35.1782 172.9981 136 R 4.2444 8.5170 120.0263 56.4360 31.3500 176.2151 137 P 3.3216 0.0000 0.0000 65.2280 31.9789 178.8745 138 G 4.0083 8.7946 112.0570 46.5399 0.0000 173.0375 139 Y 4.3894 7.7690 121.5320 59.5841 40.1849 176.9431 140 R 3.7654 8.2042 119.8950 59.2586 30.3853 178.0166 141 V 3.6655 7.9124 116.8245 65.1271 31.3532 176.5101 142 A 4.6720 7.6747 118.9786 50.8367 19.3061 176.6072 143 K 4.3988 8.2191 114.6145 55.8024 33.8189 176.6767 144 R 4.3702 7.5509 115.2050 55.1726 30.9646 176.4857 145 D 4.4361 8.5405 118.5634 57.1806 41.1886 177.7766 146 K 3.9595 8.0666 117.0439 57.7300 32.9452 177.2650 147 A 3.7277 8.4521 126.1385 52.6741 16.0208 176.1816 148 S 4.5351 7.6367 117.0306 59.6061 64.1044 174.0906 149 R 4.5744 8.8409 118.7508 55.2210 33.7821 173.5116 150 S 4.5653 8.5563 119.6287 57.4944 63.2848 173.8330 151 I 3.7264 8.4672 128.0050 61.0077 37.4408 174.2388 152 P 4.4294 0.0000 0.0000 62.6782 31.7342 177.5602 153 T 3.9602 8.4543 110.9355 64.1526 68.7194 175.4456 154 K 4.1646 8.0178 120.5161 58.2871 32.4442 176.7977 155 H 4.7014 8.0642 116.6254 55.8990 30.5404 175.0126 156 R 4.1664 7.7298 118.0683 56.2023 30.6185 176.1811 157 L 4.1618 8.3075 123.6423 55.0839 42.9851 176.1191 158 N 5.1542 8.2520 119.8085 50.3855 42.9837 174.0533 159 P 4.3109 0.0000 0.0000 65.8861 31.4807 178.8941 160 A 3.8490 7.8715 118.7185 55.4260 17.9592 179.3699 161 D 4.3913 8.1357 116.3072 56.7824 40.8833 178.7746 162 A 4.1891 8.1988 122.0470 54.9850 18.8174 179.3591 163 V 3.2048 8.0321 116.8803 66.9435 31.3216 177.1060 164 A 4.0018 8.4374 119.8175 53.7147 17.6634 179.7519 165 F 4.0974 7.8301 119.6128 60.5271 40.4673 178.1843 166 I 3.5499 7.5829 118.0755 64.3991 37.2577 177.6190 167 E 4.6378 8.3696 121.6808 58.5816 29.0506 177.9422 168 S 4.8348 8.4743 112.3904 57.6111 64.0039 174.9210 169 T 4.5276 8.0291 115.0342 63.5424 71.1997 172.7934 170 Y 3.3534 8.1974 127.8719 57.6524 35.2439 168.6043 171 D 4.3007 6.7299 117.6236 53.8515 41.7402 174.5156 172 V 4.8909 7.9090 118.6740 61.1645 35.1709 175.6160 173 E 4.5256 8.4160 121.3347 57.4772 28.6539 176.1589 174 V 3.6690 7.5592 116.4258 61.8235 31.9470 175.1610 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 4.87 0.00 3.19 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 11 H 5.97 3.96 0.00 3.11 2.36 0.00 5.46 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 E 8.19 3.89 0.00 1.68 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 0.00 2.29 2.19 0.00 13 M 7.69 4.74 0.00 2.07 2.07 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.46 0.00 14 R 7.55 4.52 0.00 1.91 1.90 0.00 3.31 0.00 0.00 3.36 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.90 0.00 15 E 8.41 3.95 0.00 2.14 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 2.45 2.23 0.00 16 P 0.00 4.22 0.00 0.75 1.62 0.00 3.58 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 1.95 0.00 17 R 7.97 4.30 0.00 1.84 1.88 0.00 2.74 0.00 0.00 3.14 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.52 0.00 18 I 8.21 4.41 1.97 0.00 0.00 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 1.41 0.89 0.96 0.00 0.00 19 E 9.24 4.28 0.00 1.81 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 2.29 2.27 0.00 20 K 7.47 4.65 0.00 1.77 1.81 0.00 1.46 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.29 1.31 7.81 21 V 8.71 4.64 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 0.88 0.00 0.00 0.99 0.00 0.00 22 V 8.59 4.60 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 0.82 0.00 0.00 0.85 0.00 0.00 23 V 8.10 4.41 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.74 0.00 0.00 24 H 8.85 5.08 0.00 3.19 2.97 0.00 5.52 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 M 8.75 4.50 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 26 G 8.32 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 0.00 0.00 0.00 27 I 8.42 4.00 1.88 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 1.09 0.73 0.73 0.00 0.00 28 G 8.66 5.10 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 0.00 0.00 0.00 29 H 7.75 5.21 0.00 3.21 3.36 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 7.07 4.42 1.03 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 36 N 9.40 4.25 0.00 2.84 2.99 0.00 0.00 5.88 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 7.88 4.19 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 38 E 8.50 3.95 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 2.31 2.57 0.00 39 D 8.17 4.43 0.00 2.63 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 40 I 7.51 4.05 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 1.75 0.73 0.91 0.00 0.00 41 L 7.99 4.10 0.00 1.82 1.71 0.86 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.09 3.69 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 0.00 0.00 0.00 43 E 7.90 4.29 0.00 2.10 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 2.29 2.49 0.00 44 I 7.84 3.98 1.96 0.00 0.00 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 2.18 0.88 1.06 0.00 0.00 45 T 7.92 4.52 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 0.88 0.00 0.00 46 G 6.62 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 47 Q 7.47 4.60 0.00 2.13 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.26 0.00 48 M 8.48 4.07 0.00 2.01 2.03 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 2.59 2.52 0.00 49 P 0.00 4.88 0.00 2.03 2.01 0.00 3.68 0.00 0.00 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 50 V 8.50 4.52 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 1.04 0.00 0.00 0.95 0.00 0.00 51 R 8.63 4.55 0.00 1.72 1.83 0.00 3.34 0.00 0.00 3.20 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 52 T 8.50 4.53 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 53 K 8.76 4.82 0.00 1.62 1.71 0.00 1.69 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.42 7.81 54 A 7.75 4.81 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 7.93 4.61 0.00 1.59 1.66 0.00 1.89 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.42 7.81 56 R 8.64 3.83 0.00 1.96 1.93 0.00 3.20 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 57 T 8.17 4.38 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 1.24 0.00 0.00 58 V 9.44 4.41 2.24 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 1.11 0.00 0.00 1.04 0.00 0.00 59 G 9.25 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 0.00 0.00 0.00 60 E 8.35 4.03 0.00 2.14 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 61 F 7.61 4.17 0.00 2.99 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 62 D 8.40 4.77 0.00 2.91 2.59 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 63 I 7.50 3.85 1.91 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.79 1.01 0.00 0.00 64 R 7.69 4.00 0.00 1.72 2.04 0.00 3.20 0.00 0.00 3.25 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.58 0.00 65 E 8.31 3.58 0.00 2.03 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 0.00 2.37 2.33 0.00 66 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 67 D 8.58 4.63 0.00 2.61 2.58 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 0.00 0.00 0.00 0.00 68 P 0.00 4.37 0.00 1.93 2.06 0.00 3.63 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.14 0.00 69 I 8.72 4.64 1.96 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 1.13 0.94 0.85 0.00 0.00 70 G 7.82 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 0.00 0.00 0.00 0.00 71 A 8.21 5.83 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 72 K 8.38 5.10 0.00 1.83 1.88 0.00 1.39 0.00 0.00 1.69 0.00 0.00 2.76 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.38 7.81 73 V 9.05 4.64 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 0.97 0.00 0.00 0.85 0.00 0.00 74 T 8.58 4.73 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 8.99 4.69 0.00 1.47 1.63 0.70 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 76 R 7.96 4.76 0.00 1.62 1.77 0.00 3.29 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.61 0.00 77 D 8.85 4.49 0.00 2.89 2.58 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 0.00 0.00 0.00 0.00 78 E 9.08 3.96 0.00 2.01 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 2.42 2.44 0.00 79 M 8.28 3.95 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.60 0.00 80 A 8.06 3.95 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 81 E 8.12 3.97 0.00 2.04 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 0.00 2.44 2.45 0.00 82 E 8.67 4.07 0.00 1.94 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 2.35 2.50 0.00 83 F 7.53 4.54 0.00 3.38 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 84 L 8.12 4.07 0.00 1.80 1.78 1.08 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 85 Q 8.28 3.94 0.00 1.91 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.88 0.00 0.00 0.00 0.00 0.00 2.11 2.48 0.00 86 T 7.52 4.36 4.15 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 1.16 0.00 0.00 87 A 7.43 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 8.15 3.59 0.00 1.71 1.62 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 89 P 0.00 4.17 0.00 2.00 2.11 0.00 3.51 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 2.20 2.10 0.00 90 L 7.76 4.36 0.00 1.79 1.73 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 91 A 7.94 4.88 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 E 8.23 4.62 0.00 1.94 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 2.18 2.28 0.00 93 L 7.89 4.03 0.00 1.60 1.68 0.69 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.21 5.32 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 95 T 8.65 3.81 4.24 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 1.16 0.00 0.00 96 S 8.34 4.32 0.00 4.06 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 0.00 97 Q 8.13 4.24 0.00 2.65 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.10 6.77 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 98 F 8.07 5.10 0.00 3.18 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 9.89 4.74 0.00 2.71 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 D 8.64 4.89 0.00 2.70 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 0.00 101 T 8.24 4.26 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 1.24 0.00 0.00 102 G 8.55 4.16 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 0.00 103 N 7.95 5.29 0.00 2.78 2.67 0.00 0.00 6.55 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 7.54 4.42 0.00 2.63 1.65 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 0.00 105 S 8.64 4.97 0.00 3.70 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 0.00 106 F 8.76 4.94 0.00 3.17 3.15 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 0.00 107 G 8.77 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 *128 L 8.17 4.12 0.00 1.68 1.65 0.95 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 129 D 8.90 4.84 0.00 2.62 2.46 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 0.00 130 V 7.99 4.11 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 0.90 0.00 0.00 0.81 0.00 0.00 131 T 8.20 4.58 4.08 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 0.00 0.00 1.05 0.00 0.00 132 V 7.79 4.43 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 1.06 0.00 0.00 0.75 0.00 0.00 133 N 9.15 4.88 0.00 2.73 2.61 0.00 0.00 6.68 6.23 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 0.00 134 L 8.34 5.30 0.00 1.76 1.52 1.27 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 135 V 8.07 4.25 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.35 0.00 0.00 0.54 0.00 0.00 136 R 8.52 4.24 0.00 1.58 1.77 0.00 3.14 0.00 0.00 3.04 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.52 0.00 137 P 0.00 3.32 0.00 2.09 1.83 0.00 3.65 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.11 0.00 138 G 8.79 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 0.00 139 Y 7.77 4.39 0.00 3.14 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 0.00 140 R 8.20 3.77 0.00 1.89 1.94 0.00 3.26 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.62 0.00 141 V 7.91 3.67 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 0.73 0.00 0.00 0.97 0.00 0.00 142 A 7.67 4.67 1.02 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 0.00 0.00 143 K 8.22 4.40 0.00 1.55 1.75 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.74 0.00 0.00 3.19 0.00 0.00 0.00 0.00 0.80 1.40 7.81 144 R 7.55 4.37 0.00 1.88 1.89 0.00 3.00 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 1.70 1.70 0.00 145 D 8.54 4.44 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 8.07 3.96 0.00 1.73 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.42 7.81 147 A 8.45 3.73 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 0.00 148 S 7.64 4.54 0.00 3.91 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 0.00 149 R 8.84 4.57 0.00 1.84 1.72 0.00 3.12 0.00 0.00 3.08 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 150 S 8.56 4.57 0.00 3.91 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 8.47 3.73 1.98 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 1.41 1.17 1.04 0.00 0.00 152 P 0.00 4.43 0.00 2.20 2.00 0.00 3.62 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.09 0.00 153 T 8.45 3.96 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 0.00 154 K 8.02 4.16 0.00 1.80 1.95 0.00 1.64 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.45 1.50 7.81 155 H 8.06 4.70 0.00 3.08 3.36 0.00 5.95 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 156 R 7.73 4.17 0.00 1.88 1.88 0.00 3.49 0.00 0.00 3.25 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.61 0.00 157 L 8.31 4.16 0.00 1.53 1.76 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 158 N 8.25 5.15 0.00 2.97 2.68 0.00 0.00 6.91 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 4.31 0.00 2.14 2.15 0.00 3.62 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 2.16 2.38 0.00 160 A 7.87 3.85 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 8.14 4.39 0.00 2.92 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 0.00 162 A 8.20 4.19 1.60 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 0.00 163 V 8.03 3.20 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 0.82 0.00 0.00 0.08 0.00 0.00 164 A 8.44 4.00 1.36 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 0.00 165 F 7.83 4.10 0.00 3.06 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 0.00 166 I 7.58 3.55 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.07 0.83 0.00 0.00 167 E 8.37 4.64 0.00 2.03 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 0.00 2.26 2.29 0.00 168 S 8.47 4.83 0.00 3.83 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 0.00 169 T 8.03 4.53 4.18 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 1.22 0.00 0.00 170 Y 8.20 3.35 0.00 2.98 3.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 171 D 6.73 4.30 0.00 2.89 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 0.00 172 V 7.91 4.89 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 0.90 0.00 0.00 0.89 0.00 0.00 173 E 8.42 4.53 0.00 1.99 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 2.22 2.22 0.00 174 V 7.56 3.67 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 0.93 0.00 0.00 0.88 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.