NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 L 4.2478 8.1693 120.6314 53.3790 43.3158 176.4624 10 P 4.0918 0.0000 0.0000 62.6524 31.7962 175.1050 11 Q 4.0163 9.1499 124.1948 59.4883 29.2714 179.7231 12 S 4.1591 8.0976 113.5205 61.2344 62.4140 175.7082 13 F 4.1915 8.2959 123.1039 61.1379 39.0941 176.7011 14 L 3.8818 8.1393 120.1639 57.9729 41.9350 178.9783 15 L 4.0639 8.1227 121.5332 57.9683 41.6813 179.8617 16 K 3.8840 8.1652 123.8305 60.0381 31.5097 180.9867 17 C 4.1315 7.9530 118.1314 62.7121 27.9891 176.2951 18 L 4.0103 8.0103 120.5556 57.4994 41.0987 179.3676 19 E 3.8462 7.9666 119.1790 59.5109 29.4824 178.9701 20 Q 3.7942 7.6824 117.9501 58.4931 28.5416 178.7812 21 V 3.3550 7.4759 119.7753 66.2179 31.4627 178.4221 22 R 3.7919 7.5044 117.6565 59.0369 29.6227 179.0342 23 K 3.8879 8.0440 119.3307 59.1518 32.0215 178.8836 24 I 4.1051 7.3981 121.5486 63.3852 37.1196 178.1377 25 Q 4.0424 8.3082 119.2404 58.6873 28.4372 178.9571 26 G 3.5671 8.2280 106.9462 48.0990 0.0000 175.3571 27 D 4.4884 7.9000 122.1194 56.6651 40.7726 179.3247 28 G 3.5680 8.3376 106.0730 47.9029 0.0000 175.6357 29 A 3.9777 8.2896 124.0318 54.3162 18.2809 179.6936 30 A 3.8949 8.0242 119.5797 55.0260 18.4655 179.4540 31 L 3.8526 8.1036 119.1218 58.5128 42.1851 179.0166 32 Q 3.9683 8.1217 117.9257 59.2057 28.6551 178.9451 33 E 3.9181 8.1997 120.0454 59.1252 29.6182 178.9291 34 K 3.9065 8.1653 118.6214 59.4232 32.1208 179.3016 35 L 4.0736 8.1097 119.3637 57.9060 41.6366 178.8082 36 C 4.4682 8.4915 119.6059 59.6728 43.3687 174.7579 37 A 4.0207 8.0280 121.9500 54.9089 17.9507 179.1043 38 T 3.7207 8.2678 115.5814 65.6311 68.8473 174.9121 39 Y 4.8279 7.2607 114.0648 56.4840 39.7791 175.7334 40 K 3.9891 7.9959 117.5291 57.4585 29.6087 176.4463 41 L 4.5462 7.8126 120.8057 53.7669 40.5946 177.3816 42 C 4.6686 8.5072 118.9558 56.7963 42.9053 174.0046 43 H 4.7633 7.8597 116.7204 52.3569 30.5711 172.0495 44 P 4.3119 0.0000 0.0000 65.5848 30.6406 177.9376 45 E 4.1128 8.1327 117.2483 58.9448 29.5723 178.0373 46 E 4.2796 8.3348 117.2100 57.5910 29.9834 177.2276 47 L 4.8162 7.7612 118.3388 54.1960 43.1570 178.6905 48 V 3.7818 7.8239 120.9924 64.6116 31.8707 178.3780 49 L 3.7622 7.9580 120.3133 57.3416 41.8561 179.0248 50 L 4.1422 7.7262 118.6688 57.6653 41.7218 179.0864 51 G 3.8352 7.9248 106.0663 48.0985 0.0000 175.3276 52 H 4.3492 7.8745 118.4920 58.8107 28.6074 177.4479 53 S 4.1787 8.1396 113.4379 61.6825 62.1160 175.4951 54 L 4.4095 8.2858 118.7154 53.7895 41.2842 176.7904 55 G 4.0308 7.9574 105.9857 46.2195 0.0000 174.0164 56 I 3.7888 7.3664 120.4198 60.2459 37.1949 175.0339 57 P 4.4577 0.0000 0.0000 61.1387 29.9125 175.3150 58 W 4.0045 8.6099 132.8021 57.1898 31.0984 175.2662 59 A 4.0165 7.2313 128.7484 50.1213 18.3320 175.4050 60 P 4.0281 0.0000 0.0000 62.9263 32.1984 175.6579 61 L 4.3436 7.9814 119.7030 54.3335 45.5766 174.9168 *71 L 4.0754 8.0584 122.5463 55.3321 42.4693 176.9397 72 A 3.7060 8.4716 119.1129 54.1712 18.9045 179.3605 73 G 3.6942 8.3332 100.2773 47.0204 0.0000 174.8006 74 C 4.1242 7.7303 119.8737 62.2617 31.7116 175.5513 75 L 4.0598 7.9537 120.0508 57.9941 41.0573 179.6721 76 S 4.2068 8.4002 115.5271 61.6402 62.7154 176.6371 77 Q 4.0523 8.2985 120.9148 58.7559 28.3221 178.8226 78 L 4.1927 8.1320 120.0555 58.3151 41.8171 178.8634 79 H 4.0949 8.3451 117.9809 59.5228 29.5833 177.4859 80 S 4.2354 8.6295 117.2284 61.4356 62.6705 176.4800 81 G 3.5633 8.3968 108.8391 48.0194 0.0000 175.4578 82 L 4.0792 8.3129 122.1600 57.4441 41.4232 179.5510 83 F 4.2848 7.8126 119.3703 60.9706 39.4955 176.7077 84 L 3.7766 8.0720 120.2371 58.4414 41.9566 178.5467 85 Y 3.9095 7.6627 116.8260 61.1194 37.8265 178.6437 86 Q 4.1172 8.5955 120.9520 58.6570 29.0248 178.6734 87 G 3.3424 7.9379 107.3369 47.8038 0.0000 175.8609 88 L 4.1342 7.6777 120.2198 57.3054 41.9732 179.2029 89 L 4.1327 7.8389 118.5530 57.6559 41.5641 179.4423 90 Q 4.1013 7.9892 117.6149 58.6638 28.4128 178.3502 91 A 4.1818 7.8923 120.8825 54.4700 18.6904 178.7431 92 L 3.8541 7.7364 114.9700 55.2648 42.7154 176.6889 93 E 3.5863 8.9855 118.7308 57.3303 27.0363 175.9584 94 G 3.8938 7.8022 108.0253 44.4063 0.0000 172.7720 95 I 3.4293 8.0451 123.5387 61.6830 36.4858 174.1976 96 S 4.6456 7.2273 111.8639 55.7645 66.4837 173.5747 97 P 4.2818 0.0000 0.0000 65.5607 31.0266 178.4994 98 E 4.1738 7.8232 116.4901 59.0918 29.9643 178.5016 99 L 4.3409 8.0853 117.5009 56.8964 41.9129 178.4370 100 G 3.7765 8.2849 104.4855 48.1275 0.0000 173.5985 101 P 4.2666 0.0000 0.0000 65.3284 31.5261 178.8217 102 T 3.8810 7.9423 115.7231 66.5480 68.3364 176.5844 103 L 4.0629 7.8095 120.4424 57.7070 41.6433 178.9840 104 D 4.3947 8.3402 119.0664 57.5313 40.6817 179.0636 105 T 3.9119 7.8461 116.0094 66.4693 68.4578 176.6543 106 L 4.1288 7.8011 121.8990 58.1643 42.0087 178.9408 107 Q 4.1439 8.1984 118.0048 59.1339 28.6630 178.9427 108 L 4.0103 7.6772 119.9359 57.7631 41.5997 179.4373 109 D 4.3196 8.2628 118.8302 57.3769 40.8596 178.6598 110 V 3.7059 7.9916 118.6285 66.3666 31.5121 177.9804 111 A 4.1102 8.3894 120.2325 55.0675 18.1971 179.2214 112 D 4.4724 8.0030 117.2641 56.9886 41.0469 178.7659 113 F 4.8017 8.6639 122.4850 60.9740 39.4100 177.0945 114 A 3.9818 8.2686 120.4331 55.5007 18.0732 179.6410 115 T 4.0118 7.9547 113.7967 67.1199 68.5046 177.0117 116 T 4.0593 7.9962 117.4671 66.7235 68.4808 176.7883 117 I 3.9624 7.8945 121.7066 64.1572 37.1486 178.1344 118 W 3.8853 8.6461 129.4362 60.7788 30.6778 177.9203 119 Q 3.9643 8.7029 118.1592 59.0871 28.1464 178.8592 120 Q 3.8180 8.2849 120.5343 59.2565 29.0391 178.0021 121 M 3.9068 8.0663 119.8378 58.0101 31.7574 178.4614 122 E 3.5907 7.6816 121.4874 59.7480 29.3853 179.3508 123 E 3.8088 7.6463 115.9218 59.8092 29.6736 181.4536 124 L 4.0577 7.5319 116.6645 54.8776 40.8036 180.0061 125 G 4.0468 8.1811 106.9725 46.4659 0.0000 175.7937 126 M 4.3097 7.1808 125.4815 55.2224 31.2364 175.8554 *137 M 4.1691 8.3172 125.5641 55.2938 33.3076 173.4748 138 P 4.0615 0.0000 0.0000 62.7604 32.0101 175.7497 139 A 4.5348 7.7484 122.7101 50.2714 21.6479 176.4163 140 F 4.4466 8.3126 119.3281 55.1837 39.5256 175.6194 141 A 4.0791 8.5637 128.0783 54.5702 18.6135 178.4405 142 S 4.8334 7.8854 108.5073 56.0213 67.0909 174.6425 143 A 3.9425 8.3850 122.6619 55.4199 18.0183 179.4395 144 F 3.9658 8.2422 118.5201 61.5860 39.4113 177.1743 145 Q 3.9446 8.0875 117.2856 58.4430 28.4310 178.7791 146 R 3.6534 8.0560 119.2993 59.4330 30.1790 178.7047 147 R 3.7273 7.8691 117.5316 59.6128 30.0469 178.9254 148 A 3.9268 7.5770 120.1735 54.9647 18.2109 180.0033 149 G 3.3825 7.9731 104.5104 47.8648 0.0000 176.2090 150 G 3.5023 8.1236 108.7706 47.2481 0.0000 175.9622 151 V 3.5185 7.5342 120.3216 66.0578 31.6750 178.2805 152 L 4.0712 7.9257 118.9953 57.6201 41.4074 179.8624 153 V 3.9152 8.2205 119.2092 64.4940 31.5656 178.3957 154 A 3.9843 8.0067 121.5940 54.9051 17.7817 179.5831 155 S 4.0191 8.1205 111.7976 61.9425 62.4623 176.1579 156 H 4.5387 8.3125 118.9111 58.5840 28.4990 177.5632 157 L 3.2462 8.2821 122.8501 57.4970 41.7650 178.6183 158 Q 3.8952 8.0353 119.7451 59.4736 29.0340 178.6794 159 S 4.3532 7.7932 114.6973 61.5239 62.8923 176.2380 160 F 4.0832 8.4698 123.4787 61.6403 38.8093 177.2713 161 L 4.0611 7.8175 116.9056 57.2456 41.6498 179.1118 162 E 4.1856 8.0470 118.8793 59.5794 29.4316 179.3127 163 V 3.5753 7.8730 118.2153 66.2336 31.4723 178.0017 164 S 3.9434 7.8474 112.8373 61.2803 62.0313 175.5180 165 Y 4.1759 8.5376 125.3946 61.0660 38.6058 178.7182 166 R 3.4685 7.6777 121.4319 61.2324 29.6687 181.4142 167 V 3.8568 7.9197 120.3192 63.9630 31.2724 178.5963 168 L 3.9453 7.5994 119.2998 57.6656 41.5709 178.5963 169 R 4.0252 7.2367 117.4957 60.0613 30.0389 177.8375 170 H 4.3697 7.9814 115.0992 58.8850 28.5535 177.3148 171 L 4.4505 8.1434 116.5267 55.1992 41.2944 177.5853 172 A 4.3399 7.6827 127.0731 52.4840 18.5140 177.6468 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 9 L 8.17 4.25 0.00 1.76 1.70 1.07 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.09 0.00 2.40 2.23 0.00 3.61 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 2.12 2.04 0.00 11 Q 9.15 4.02 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 12 S 8.10 4.16 0.00 3.97 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 13 F 8.30 4.19 0.00 3.15 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 14 L 8.14 3.88 0.00 2.10 1.72 1.03 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.12 4.06 0.00 1.89 1.68 0.93 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.17 3.88 0.00 1.76 1.83 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.38 1.37 7.81 17 C 7.95 4.13 0.00 2.93 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 18 L 8.01 4.01 0.00 1.66 1.76 0.97 1.03 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 19 E 7.97 3.85 0.00 2.13 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 2.23 2.29 0.00 20 Q 7.68 3.79 0.00 1.62 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.60 0.00 0.00 0.00 0.00 0.00 2.28 2.24 0.00 21 V 7.48 3.36 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 1.13 0.00 0.00 0.86 0.00 0.00 22 R 7.50 3.79 0.00 1.85 1.86 0.00 3.16 0.00 0.00 3.03 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.66 0.00 23 K 8.04 3.89 0.00 1.75 1.71 0.00 1.58 0.00 0.00 1.62 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.43 7.81 24 I 7.40 4.11 1.97 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.90 0.92 0.00 0.00 25 Q 8.31 4.04 0.00 2.13 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.97 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 26 G 8.23 3.57 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 0.00 0.00 0.00 27 D 7.90 4.49 0.00 2.66 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 28 G 8.34 3.57 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 0.00 0.00 0.00 29 A 8.29 3.98 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 30 A 8.02 3.89 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 31 L 8.10 3.85 0.00 1.85 1.83 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.12 3.97 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.51 0.00 33 E 8.20 3.92 0.00 2.09 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 0.00 2.27 2.46 0.00 34 K 8.17 3.91 0.00 2.05 1.78 0.00 1.69 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.58 7.81 35 L 8.11 4.07 0.00 1.87 1.79 0.91 0.81 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 36 C 8.49 4.47 0.00 3.03 3.23 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 37 A 8.03 4.02 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 38 T 8.27 3.72 3.14 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 0.63 0.00 0.00 39 Y 7.26 4.83 0.00 3.12 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 K 8.00 3.99 0.00 2.01 1.99 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.47 7.81 41 L 7.81 4.55 0.00 1.76 1.65 0.84 1.01 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 42 C 8.51 4.67 0.00 2.89 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 43 H 7.86 4.76 0.00 3.11 3.44 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 4.31 0.00 2.26 2.32 0.00 3.70 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 2.09 2.07 0.00 45 E 8.13 4.11 0.00 1.97 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 2.34 2.48 0.00 46 E 8.33 4.28 0.00 2.11 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 2.36 0.00 47 L 7.76 4.82 0.00 1.71 1.65 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 48 V 7.82 3.78 2.11 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 0.82 0.00 0.00 0.96 0.00 0.00 49 L 7.96 3.76 0.00 1.72 1.76 0.94 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 50 L 7.73 4.14 0.00 1.88 1.89 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 51 G 7.92 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 H 7.87 4.35 0.00 3.24 3.34 0.00 5.67 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 53 S 8.14 4.18 0.00 3.89 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 54 L 8.29 4.41 0.00 1.70 1.68 1.06 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.96 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 56 I 7.37 3.79 1.96 0.00 0.00 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 1.51 0.86 0.99 0.00 0.00 57 P 0.00 4.46 0.00 1.94 2.01 0.00 3.62 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 1.95 2.03 0.00 58 W 8.61 4.00 0.00 3.10 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 59 A 7.23 4.02 0.75 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 0.00 0.00 60 P 0.00 4.03 0.00 2.28 2.33 0.00 3.69 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 1.98 2.03 0.00 61 L 7.98 4.34 0.00 1.58 1.46 0.83 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 *71 L 8.06 4.08 0.00 1.71 1.57 0.87 0.91 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 72 A 8.47 3.71 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 73 G 8.33 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 74 C 7.73 4.12 0.00 3.12 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 L 7.95 4.06 0.00 1.90 1.72 0.87 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 76 S 8.40 4.21 0.00 3.99 3.92 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 0.00 0.00 0.00 0.00 77 Q 8.30 4.05 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 7.08 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 78 L 8.13 4.19 0.00 1.87 1.73 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.35 4.09 0.00 3.39 3.52 0.00 5.78 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 80 S 8.63 4.24 0.00 3.93 3.92 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 0.00 0.00 0.00 0.00 81 G 8.40 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.31 4.08 0.00 1.85 1.79 0.64 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 83 F 7.81 4.28 0.00 2.91 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 84 L 8.07 3.78 0.00 1.52 1.42 0.74 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 85 Y 7.66 3.91 0.00 3.10 2.91 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 0.00 0.00 0.00 0.00 86 Q 8.60 4.12 0.00 2.23 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.03 0.00 0.00 0.00 0.00 0.00 2.36 2.47 0.00 87 G 7.94 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 0.00 0.00 0.00 88 L 7.68 4.13 0.00 1.65 1.81 0.75 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.84 4.13 0.00 1.84 1.69 0.94 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 90 Q 7.99 4.10 0.00 2.33 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.75 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 91 A 7.89 4.18 1.62 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 0.00 0.00 92 L 7.74 3.85 0.00 1.61 1.48 0.73 -0.12 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 93 E 8.99 3.59 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 94 G 7.80 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 95 I 8.05 3.43 1.87 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.38 0.90 0.00 0.00 96 S 7.23 4.65 0.00 4.10 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 97 P 0.00 4.28 0.00 2.06 2.19 0.00 3.71 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 2.05 2.20 0.00 98 E 7.82 4.17 0.00 1.92 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 2.29 2.38 0.00 99 L 8.09 4.34 0.00 1.73 1.72 1.13 0.88 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 0.00 100 G 8.28 3.78 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 0.00 0.00 0.00 101 P 0.00 4.27 0.00 2.26 2.33 0.00 3.70 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 2.07 2.06 0.00 102 T 7.94 3.88 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 1.19 0.00 0.00 103 L 7.81 4.06 0.00 1.84 1.69 0.91 1.07 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 0.00 104 D 8.34 4.39 0.00 2.81 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 0.00 105 T 7.85 3.91 4.38 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 1.28 0.00 0.00 106 L 7.80 4.13 0.00 1.78 1.81 0.97 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 107 Q 8.20 4.14 0.00 2.15 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.85 0.00 0.00 0.00 0.00 0.00 2.38 2.56 0.00 108 L 7.68 4.01 0.00 1.66 1.73 0.93 1.07 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 0.00 109 D 8.26 4.32 0.00 2.85 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 0.00 110 V 7.99 3.71 2.28 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 1.14 0.00 0.00 1.01 0.00 0.00 111 A 8.39 4.11 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 0.00 112 D 8.00 4.47 0.00 2.92 2.80 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 0.00 113 F 8.66 4.80 0.00 3.09 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.27 3.98 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 T 7.95 4.01 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 1.32 0.00 0.00 116 T 8.00 4.06 4.74 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 1.38 0.00 0.00 117 I 7.89 3.96 2.07 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.60 0.99 0.00 0.00 118 W 8.65 3.89 0.00 3.47 3.46 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 0.00 119 Q 8.70 3.96 0.00 2.38 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.73 0.00 0.00 0.00 0.00 0.00 2.61 2.80 0.00 120 Q 8.28 3.82 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.39 0.00 0.00 0.00 0.00 0.00 1.16 1.89 0.00 121 M 8.07 3.91 0.00 1.84 1.83 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.46 0.00 122 E 7.68 3.59 0.00 1.87 1.72 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 1.47 1.90 0.00 123 E 7.65 3.81 0.00 2.01 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 2.27 2.16 0.00 124 L 7.53 4.06 0.00 1.67 1.60 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 125 G 8.18 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 0.00 0.00 0.00 126 M 7.18 4.31 0.00 1.96 1.73 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.37 0.00 *137 M 8.32 4.17 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.55 0.00 138 P 0.00 4.06 0.00 1.83 1.75 0.00 3.62 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 2.06 2.23 0.00 139 A 7.75 4.53 1.08 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 0.00 0.00 0.00 140 F 8.31 4.45 0.00 3.20 2.98 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 0.00 141 A 8.56 4.08 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 0.00 142 S 7.89 4.83 0.00 4.11 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 0.00 143 A 8.39 3.94 1.31 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 0.00 0.00 0.00 144 F 8.24 3.97 0.00 3.09 3.06 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 0.00 145 Q 8.09 3.94 0.00 2.49 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.74 0.00 0.00 0.00 0.00 0.00 2.50 2.64 0.00 146 R 8.06 3.65 0.00 2.09 1.86 0.00 3.24 0.00 0.00 3.44 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.59 0.00 147 R 7.87 3.73 0.00 1.64 1.71 0.00 2.88 0.00 0.00 2.35 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.47 0.00 148 A 7.58 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 G 7.97 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 0.00 0.00 0.00 150 G 8.12 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.53 3.52 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.96 0.00 0.00 152 L 7.93 4.07 0.00 1.82 1.84 1.06 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 153 V 8.22 3.92 2.23 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 0.97 0.00 0.00 1.01 0.00 0.00 154 A 8.01 3.98 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 0.00 155 S 8.12 4.02 0.00 3.94 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 0.00 156 H 8.31 4.54 0.00 3.63 3.73 0.00 5.87 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 157 L 8.28 3.25 0.00 1.30 1.66 0.42 0.31 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 0.00 158 Q 8.04 3.90 0.00 2.39 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.55 0.00 0.00 0.00 0.00 0.00 2.35 2.67 0.00 159 S 7.79 4.35 0.00 4.17 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 0.00 160 F 8.47 4.08 0.00 3.15 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 0.00 161 L 7.82 4.06 0.00 1.95 1.72 0.96 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 162 E 8.05 4.19 0.00 2.22 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 163 V 7.87 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 1.04 0.00 0.00 0.99 0.00 0.00 164 S 7.85 3.94 0.00 3.67 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 0.00 165 Y 8.54 4.18 0.00 3.03 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 R 7.68 3.47 0.00 1.86 1.92 0.00 3.30 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.26 0.00 167 V 7.92 3.86 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 0.75 0.00 0.00 0.92 0.00 0.00 168 L 7.60 3.95 0.00 1.66 1.80 1.01 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 169 R 7.24 4.03 0.00 1.54 2.06 0.00 3.21 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 170 H 7.98 4.37 0.00 3.41 3.29 0.00 5.86 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 0.00 171 L 8.14 4.45 0.00 1.74 1.74 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 172 A 7.68 4.34 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 * Residues marked with a * may have inaccurate shift predictions.