NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 A 4.3263 8.1076 123.5757 51.7454 18.8480 177.4615 9 P 4.2805 0.0000 0.0000 61.6194 31.1742 171.5160 10 V 3.5852 8.3730 120.8494 64.5283 33.0982 175.4442 11 E 5.2129 8.6914 128.2333 54.3545 32.6730 175.0150 12 V 4.7439 9.0919 125.3389 61.4694 35.1804 174.1402 13 T 5.1490 9.6894 116.1150 59.8034 72.2274 170.9585 14 Y 4.5285 8.0127 125.0233 56.8324 40.6780 170.6122 15 K 3.9950 7.9078 127.4471 57.1717 34.2345 176.8816 16 N 4.5568 7.2962 113.8794 51.2651 36.7618 174.9465 *18 R 4.2262 7.4776 118.0554 57.0694 32.0547 174.6917 19 F 5.4075 9.7612 125.6304 55.6476 42.5435 174.4853 20 L 4.9438 9.0817 123.9847 53.4960 44.5954 175.2237 21 I 5.3330 8.8781 128.5406 59.6088 37.8299 175.6430 22 T 4.6326 8.4324 117.6460 60.3432 71.2797 174.3361 23 H 4.6093 8.6068 117.1498 54.7191 30.7951 173.3226 24 N 4.6003 8.3852 119.0248 51.7829 38.9229 173.4382 25 P 3.9942 0.0000 0.0000 62.3388 32.3514 175.7270 26 T 4.5155 7.6525 111.0380 59.7133 70.7035 175.2287 27 N 4.2032 8.9646 120.8276 56.8069 38.6510 176.3810 28 A 4.1405 7.9684 119.1436 54.1419 18.9730 177.8541 29 T 4.5205 8.1119 105.3236 61.2672 69.3513 175.8876 30 L 4.0052 7.7807 124.7153 57.7962 41.8939 178.5746 31 N 4.3350 8.0185 116.2820 56.6331 38.9190 177.0517 32 K 3.9349 8.0714 119.2946 59.5036 32.2209 178.9213 33 F 4.1118 8.3484 120.7386 61.5592 39.3268 177.3526 34 I 3.7116 7.7985 118.7879 63.8256 36.8154 178.1245 35 E 3.8579 8.1159 120.4968 59.2190 29.5421 178.5434 36 E 3.9212 7.9125 118.1482 59.5239 29.5870 179.1258 37 L 3.9310 7.4597 118.6352 58.0828 41.7306 179.8937 38 K 3.9727 7.9749 117.9992 59.3759 31.7032 179.4533 39 K 3.9156 7.7026 117.9390 59.5871 32.0727 178.1484 40 Y 4.3511 7.8839 113.5566 57.3964 38.2920 175.5672 41 G 3.8317 8.1908 108.6863 46.5187 0.0000 173.8809 42 V 4.9537 8.0864 119.6674 61.9721 32.2969 175.3931 43 T 4.6583 8.4651 116.7753 62.4049 71.1523 174.1767 44 T 5.1609 7.5982 111.1918 60.1370 72.4605 172.6025 45 I 4.8985 9.1351 123.5417 59.2586 42.2113 173.9912 46 V 4.4913 8.8037 127.9562 61.0936 34.0885 174.1059 47 R 4.6337 8.8769 129.8058 55.3521 31.2612 176.5675 48 V 4.3401 8.5263 118.6839 60.4623 33.1226 174.8866 49 C 5.1405 7.3214 116.0603 55.6694 32.6983 172.9793 50 E 3.9530 8.5479 116.5868 55.8645 29.7533 176.5764 51 A 3.8770 8.2655 125.8624 53.1100 18.8523 177.7512 52 T 4.6090 7.8196 107.1091 62.2462 72.0130 172.9985 53 Y 4.7475 6.8929 118.9238 55.7353 40.8710 173.7267 54 D 4.5362 8.5984 121.9207 53.8029 41.5704 177.3838 55 T 4.2196 8.5076 118.2727 64.1414 68.9582 176.2257 56 T 3.8903 8.9659 114.0688 65.0617 68.3528 176.1860 57 L 4.0084 7.3383 120.1027 57.4343 41.9039 179.4466 58 V 3.7798 7.7600 117.6135 66.1916 31.5842 177.8900 59 E 4.8437 8.2783 119.4136 58.6049 28.9654 179.2635 60 K 4.0207 7.7468 118.9891 59.2000 32.3737 177.9682 61 E 4.2566 7.6883 115.9769 56.5929 29.6374 177.3883 62 G 3.9913 7.6032 106.6517 44.8984 0.0000 173.6468 63 I 4.3405 7.6104 121.5171 60.0265 38.9920 174.8320 64 H 4.6645 8.9014 125.0727 55.7055 29.7737 174.6237 65 V 4.8507 8.4025 122.2611 61.0494 34.0693 174.5314 66 L 4.4776 8.6286 126.6645 52.9324 44.7461 175.0270 67 D 4.9019 8.7385 124.5096 52.0124 41.0931 176.0405 68 W 5.3985 8.2638 128.6929 54.6795 28.6864 173.5388 69 P 5.0676 0.0000 0.0000 62.1227 32.4142 177.3095 70 F 5.0975 7.7148 115.1991 54.9715 41.5184 173.7912 71 D 4.4943 9.0949 119.3609 54.6751 41.2288 176.4419 72 D 4.5477 8.4918 122.3830 54.5366 40.1743 175.9706 73 G 4.3048 9.0399 112.9697 46.0534 0.0000 174.3540 74 A 4.1725 7.2223 119.6395 50.7967 19.0653 175.4884 75 P 3.9061 0.0000 0.0000 61.0525 32.0319 175.1479 76 P 3.1092 0.0000 0.0000 61.8049 31.9281 176.7492 77 S 4.2433 7.9902 115.1093 58.2785 64.9523 175.1729 78 N 4.3562 8.4420 119.1738 56.3790 38.3202 177.5235 79 Q 3.8882 7.9379 120.5446 59.0677 29.1588 177.9637 80 I 3.3610 7.9258 121.1501 64.3617 37.1768 178.2470 81 V 3.7462 7.8355 118.7154 66.4507 31.3788 177.7607 82 D 4.4288 8.4518 118.6689 57.4650 40.6331 178.6373 83 D 4.1701 8.4136 119.5730 57.1566 40.7702 178.5684 84 W 4.8636 8.5505 129.2281 60.8793 30.6982 177.9637 85 L 3.9453 8.4892 118.9648 57.6193 41.0530 179.6157 86 S 4.1601 8.1664 115.3865 61.3080 62.6646 176.0350 87 L 3.8953 8.1805 123.1522 58.2625 41.5972 178.7937 88 V 3.3044 7.5441 117.7418 66.0981 31.7357 177.6606 89 K 3.9898 8.0555 118.8917 59.9237 32.0228 178.3924 90 I 3.8272 7.7784 119.4019 64.0593 37.3132 177.7247 91 K 3.6154 7.9947 120.4232 60.1718 31.6620 178.5411 92 F 4.6354 7.3794 116.5944 59.8673 38.8398 177.4336 93 R 4.1371 7.0677 117.5959 59.3187 30.1561 177.8513 94 E 4.2356 8.5032 117.3378 57.5944 31.1735 177.0262 95 E 4.6890 8.5218 118.4145 53.0958 29.6223 173.0662 96 P 4.5822 0.0000 0.0000 64.5492 31.9217 177.8114 97 G 3.9432 9.0269 111.3758 45.1152 0.0000 172.8145 98 C 4.4946 7.6415 114.3001 58.1233 30.6619 172.1488 99 C 5.0599 8.5967 118.6339 58.0361 34.8206 172.4560 100 I 4.8304 8.2851 126.5575 59.7423 39.0479 174.4141 101 A 5.2196 8.4583 128.7631 50.7945 21.2593 176.3228 102 V 5.1242 8.9966 114.7249 60.0476 36.1704 174.5102 103 H 5.1751 8.7965 117.9481 54.7318 31.8938 172.8364 104 S 4.5991 8.1942 115.5422 57.7478 64.4006 173.6589 105 V 3.6878 8.4175 116.9585 65.4494 31.6923 177.7241 106 A 4.3634 7.8340 120.2829 51.3563 19.8282 177.3010 107 G 3.8850 8.2216 103.5320 46.6656 0.0000 174.4345 108 L 4.4976 8.0196 116.9963 53.9020 43.2187 177.0571 109 G 4.0056 7.3591 105.2226 44.9437 0.0000 174.7654 110 R 4.0732 8.8274 117.7497 59.3086 30.8341 177.8479 111 A 3.8368 7.8827 119.6960 54.5923 18.4400 177.4292 112 P 4.1283 0.0000 0.0000 66.0261 30.8542 178.6930 113 V 3.8699 7.9193 117.8589 66.0553 31.5305 178.0643 114 L 3.6110 7.4730 118.8245 57.4207 41.1588 179.5155 115 V 3.4571 7.6193 118.0736 65.8152 31.3117 177.7538 116 A 4.0606 8.4185 120.7945 55.4245 18.2521 179.3075 117 L 3.7504 8.1145 117.1250 58.0060 41.7264 179.6925 118 A 4.1516 8.4066 120.2878 55.3356 18.1896 179.3966 119 L 4.1581 7.7669 115.8848 58.3688 42.0190 179.7114 120 I 3.9542 8.1484 119.6101 64.5558 36.8747 178.4314 121 E 4.2296 8.7291 118.6226 58.9042 29.3557 178.9410 122 G 3.9916 8.0360 104.3369 44.5990 0.0000 174.3345 123 G 4.2070 7.8136 110.5278 46.1656 0.0000 172.6397 *125 K 4.1086 7.9294 121.8573 56.2165 34.0714 176.4841 126 Y 4.2478 8.8419 121.8625 60.9294 37.3976 179.1701 127 E 3.5030 7.0203 119.3380 58.5259 29.4636 178.9165 128 D 4.2766 8.4118 119.4517 57.1155 40.9401 178.5789 129 A 4.0750 7.8487 120.9019 54.8670 18.3604 179.6974 130 V 3.6512 7.8946 116.8344 66.4653 31.7116 178.3997 131 Q 4.0413 7.8681 117.9086 58.9594 28.3521 178.3737 132 F 4.1594 8.2625 120.6611 61.2816 39.6174 176.7451 133 I 4.0658 8.0016 119.0911 63.8990 37.0919 178.3744 134 R 4.4533 8.3009 119.4198 58.2729 29.8816 178.4209 135 Q 4.0540 7.9510 119.2355 58.7807 29.0329 177.7579 136 K 4.4184 7.6912 117.8471 56.5821 32.8516 176.4024 137 R 4.4169 7.5019 119.5613 54.8029 32.3462 175.8039 138 R 3.0884 8.3574 119.7674 58.3503 31.2341 178.1288 139 G 3.8460 8.6872 105.2378 44.4647 0.0000 173.3907 140 A 4.2796 7.6768 119.5809 52.3407 19.1507 177.5867 141 F 4.9840 7.6427 114.2819 55.9475 43.1133 173.8311 142 N 5.0988 8.7340 121.8689 50.8029 40.9927 176.0613 143 S 4.1384 8.6363 116.8808 62.0418 62.8094 177.4356 144 K 3.9683 8.0181 119.9812 59.6875 31.9458 179.2086 145 Q 4.1321 8.9521 118.6468 58.9789 28.6712 178.9272 146 L 3.7171 8.3947 120.2789 57.7394 41.7533 179.1552 147 L 3.8390 7.8094 120.0101 58.5294 41.9933 178.4247 148 Y 4.2036 8.1838 119.2980 60.7985 38.4812 178.0816 149 L 3.3945 7.4131 118.9438 57.2446 41.6625 178.7514 150 E 2.5400 7.3386 118.5788 58.6760 29.6337 178.6473 151 K 4.0652 7.6470 116.1279 56.9757 32.6885 176.9736 152 Y 4.0510 6.9938 120.8007 57.7249 39.0952 175.5593 153 R 4.1836 7.3665 124.8358 53.6274 33.0512 173.6572 154 P 4.5206 0.0000 0.0000 61.3586 33.5575 175.8905 155 K 4.1106 8.3241 118.3048 56.7252 32.3961 175.5763 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 8 A 8.11 4.33 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 9 P 0.00 4.28 0.00 2.32 2.19 0.00 3.78 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 1.99 2.02 0.00 10 V 8.37 3.59 2.22 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 0.87 0.00 0.00 0.96 0.00 0.00 11 E 8.69 5.21 0.00 2.07 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 0.00 2.25 2.51 0.00 12 V 9.09 4.74 2.32 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 1.32 0.00 0.00 0.94 0.00 0.00 13 T 9.69 5.15 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 1.28 0.00 0.00 14 Y 8.01 4.53 0.00 3.01 3.09 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 15 K 7.91 3.99 0.00 1.40 1.44 0.00 1.43 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.30 0.27 7.81 16 N 7.30 4.56 0.00 2.63 2.68 0.00 0.00 5.91 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 *18 R 7.48 4.23 0.00 1.88 2.05 0.00 3.17 0.00 0.00 3.38 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.74 0.00 19 F 9.76 5.41 0.00 3.20 3.12 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 0.00 0.00 0.00 20 L 9.08 4.94 0.00 1.56 1.42 0.46 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.88 5.33 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 0.97 1.76 0.90 0.00 0.00 22 T 8.43 4.63 4.50 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 1.17 0.00 0.00 23 H 8.61 4.61 0.00 3.30 3.38 0.00 5.51 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 N 8.39 4.60 0.00 2.83 2.72 0.00 0.00 6.88 7.69 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 25 P 0.00 3.99 0.00 1.08 0.49 0.00 3.45 0.00 0.00 3.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.44 0.00 26 T 7.65 4.52 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 1.15 0.00 0.00 27 N 8.96 4.20 0.00 2.73 2.97 0.00 0.00 6.94 7.35 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 28 A 7.97 4.14 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 29 T 8.11 4.52 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 1.21 0.00 0.00 30 L 7.78 4.01 0.00 1.68 1.69 0.46 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 N 8.02 4.34 0.00 2.82 2.85 0.00 0.00 7.15 7.00 0.00 0.00 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 K 8.07 3.93 0.00 1.85 1.90 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.55 1.53 7.81 33 F 8.35 4.11 0.00 3.13 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 0.00 34 I 7.80 3.71 1.89 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 1.48 0.74 0.91 0.00 0.00 35 E 8.12 3.86 0.00 2.22 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 0.00 2.29 2.34 0.00 36 E 7.91 3.92 0.00 2.08 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 2.63 2.52 0.00 37 L 7.46 3.93 0.00 1.69 1.61 0.64 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.97 3.97 0.00 1.96 1.84 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.65 7.81 39 K 7.70 3.92 0.00 1.81 1.62 0.00 1.88 0.00 0.00 1.59 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.57 7.81 40 Y 7.88 4.35 0.00 3.02 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 41 G 8.19 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 V 8.09 4.95 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 0.89 0.00 0.00 1.00 0.00 0.00 43 T 8.47 4.66 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 1.24 0.00 0.00 44 T 7.60 5.16 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 1.12 0.00 0.00 45 I 9.14 4.90 1.92 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.87 0.99 0.00 0.00 46 V 8.80 4.49 2.19 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 0.73 0.00 0.00 0.68 0.00 0.00 47 R 8.88 4.63 0.00 1.94 1.88 0.00 3.16 0.00 0.00 3.01 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.68 0.00 48 V 8.53 4.34 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 0.73 0.00 0.00 0.69 0.00 0.00 49 C 7.32 5.14 0.00 2.78 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 50 E 8.55 3.95 0.00 2.03 1.94 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 2.20 2.20 0.00 51 A 8.27 3.88 1.11 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 52 T 7.82 4.61 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 1.18 0.00 0.00 53 Y 6.89 4.75 0.00 2.90 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 54 D 8.60 4.54 0.00 2.89 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 T 8.51 4.22 4.30 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 1.19 0.00 0.00 56 T 8.97 3.89 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 1.24 0.00 0.00 57 L 7.34 4.01 0.00 1.79 1.80 1.02 0.91 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 58 V 7.76 3.78 2.29 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 1.16 0.00 0.00 1.04 0.00 0.00 59 E 8.28 4.84 0.00 2.07 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 2.52 2.35 0.00 60 K 7.75 4.02 0.00 1.97 2.00 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.48 7.81 61 E 7.69 4.26 0.00 2.10 1.98 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 2.57 2.47 0.00 62 G 7.60 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 63 I 7.61 4.34 1.89 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 0.76 0.93 0.00 0.00 64 H 8.90 4.66 0.00 3.16 3.23 0.00 5.76 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 65 V 8.40 4.85 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 0.82 0.00 0.00 1.05 0.00 0.00 66 L 8.63 4.48 0.00 0.83 0.18 0.70 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.74 4.90 0.00 2.65 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.26 5.40 0.00 3.45 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 69 P 0.00 5.07 0.00 2.01 2.14 0.00 3.52 0.00 0.00 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.78 0.00 70 F 7.71 5.10 0.00 2.86 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 71 D 9.09 4.49 0.00 2.80 2.70 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 72 D 8.49 4.55 0.00 2.78 2.66 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 73 G 9.04 4.30 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 0.00 74 A 7.22 4.17 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 75 P 0.00 3.91 0.00 1.55 0.86 0.00 3.48 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.78 0.00 76 P 0.00 3.11 0.00 1.85 0.98 0.00 3.01 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 1.64 1.72 0.00 77 S 7.99 4.24 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 78 N 8.44 4.36 0.00 2.74 2.91 0.00 0.00 6.43 7.74 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 79 Q 7.94 3.89 0.00 2.05 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.89 0.00 0.00 0.00 0.00 0.00 2.47 2.34 0.00 80 I 7.93 3.36 2.09 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.43 1.10 0.00 0.00 81 V 7.84 3.75 2.30 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 1.22 0.00 0.00 1.01 0.00 0.00 82 D 8.45 4.43 0.00 2.97 2.70 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 83 D 8.41 4.17 0.00 1.86 1.55 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 84 W 8.55 4.86 0.00 3.88 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.49 3.95 0.00 1.84 1.78 1.14 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 86 S 8.17 4.16 0.00 4.07 3.94 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 87 L 8.18 3.90 0.00 2.14 1.97 0.90 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 88 V 7.54 3.30 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 1.24 0.00 0.00 0.36 0.00 0.00 89 K 8.06 3.99 0.00 2.01 2.06 0.00 1.69 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.56 7.81 90 I 7.78 3.83 1.85 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.61 0.90 0.00 0.00 91 K 7.99 3.62 0.00 1.78 1.26 0.00 1.37 0.00 0.00 1.49 0.00 0.00 3.14 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.03 1.39 7.81 92 F 7.38 4.64 0.00 3.03 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 93 R 7.07 4.14 0.00 2.03 2.14 0.00 3.26 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 94 E 8.50 4.24 0.00 1.90 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 2.33 2.47 0.00 95 E 8.52 4.69 0.00 1.88 1.82 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 2.17 2.14 0.00 96 P 0.00 4.58 0.00 2.18 2.10 0.00 3.86 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 97 G 9.03 3.94 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 0.00 98 C 7.64 4.49 0.00 3.08 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 99 C 8.60 5.06 0.00 3.10 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 0.00 100 I 8.29 4.83 1.88 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.07 1.10 0.00 0.00 101 A 8.46 5.22 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 0.00 102 V 9.00 5.12 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 1.27 0.00 0.00 1.04 0.00 0.00 103 H 8.80 5.18 0.00 3.49 3.43 0.00 5.20 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 S 8.19 4.60 0.00 3.79 3.65 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 V 8.42 3.69 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 0.78 0.00 0.00 0.87 0.00 0.00 106 A 7.83 4.36 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 0.00 107 G 8.22 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 0.00 108 L 8.02 4.50 0.00 1.56 1.74 0.90 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 109 G 7.36 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 0.00 110 R 8.83 4.07 0.00 1.66 1.63 0.00 2.73 0.00 0.00 3.26 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.76 0.00 111 A 7.88 3.84 1.22 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 0.00 112 P 0.00 4.13 0.00 1.51 2.04 0.00 3.56 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.66 0.00 113 V 7.92 3.87 2.49 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 1.25 0.00 0.00 1.37 0.00 0.00 114 L 7.47 3.61 0.00 0.54 0.13 0.78 0.16 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 0.00 115 V 7.62 3.46 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 1.00 0.00 0.00 0.92 0.00 0.00 116 A 8.42 4.06 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 L 8.11 3.75 0.00 2.04 1.71 0.81 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 118 A 8.41 4.15 1.57 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 0.00 119 L 7.77 4.16 0.00 1.90 1.81 1.15 1.23 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 0.00 120 I 8.15 3.95 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.84 1.10 0.00 0.00 121 E 8.73 4.23 0.00 2.23 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 0.00 2.78 2.65 0.00 122 G 8.04 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 0.00 123 G 7.81 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 0.00 0.00 0.00 0.00 *125 K 7.93 4.11 0.00 1.80 2.04 0.00 1.65 0.00 0.00 1.82 0.00 0.00 3.03 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.40 7.81 126 Y 8.84 4.25 0.00 3.12 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 7.02 3.50 0.00 1.76 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 1.93 1.47 0.00 128 D 8.41 4.28 0.00 2.82 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.85 4.07 1.40 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 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.89 3.65 2.21 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 1.18 0.00 0.00 0.88 0.00 0.00 131 Q 7.87 4.04 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.54 0.00 0.00 0.00 0.00 0.00 2.62 2.50 0.00 132 F 8.26 4.16 0.00 3.13 3.27 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 0.00 133 I 8.00 4.07 2.30 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.02 0.89 0.00 0.00 134 R 8.30 4.45 0.00 1.82 2.04 0.00 3.24 0.00 0.00 3.09 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.94 0.00 135 Q 7.95 4.05 0.00 2.10 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.90 0.00 0.00 0.00 0.00 0.00 2.24 2.33 0.00 136 K 7.69 4.42 0.00 1.65 1.79 0.00 1.50 0.00 0.00 1.41 0.00 0.00 3.29 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.59 1.49 7.81 137 R 7.50 4.42 0.00 1.79 1.68 0.00 3.14 0.00 0.00 3.05 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 138 R 8.36 3.09 0.00 1.81 1.63 0.00 3.28 0.00 0.00 3.22 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 139 G 8.69 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 0.00 140 A 7.68 4.28 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 7.64 4.98 0.00 3.06 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 N 8.73 5.10 0.00 2.89 2.98 0.00 0.00 6.93 8.24 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 0.00 143 S 8.64 4.14 0.00 3.91 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 0.00 144 K 8.02 3.97 0.00 1.83 1.88 0.00 1.69 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.55 7.81 145 Q 8.95 4.13 0.00 2.49 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.77 0.00 0.00 0.00 0.00 0.00 2.54 2.59 0.00 146 L 8.39 3.72 0.00 1.94 1.70 0.97 0.48 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 0.00 147 L 7.81 3.84 0.00 1.93 1.87 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 148 Y 8.18 4.20 0.00 3.03 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 0.00 149 L 7.41 3.39 0.00 1.50 1.45 0.27 0.67 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 0.00 150 E 7.34 2.54 0.00 1.52 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 2.04 1.73 0.00 151 K 7.65 4.07 0.00 1.77 1.83 0.00 1.76 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.42 1.37 7.81 152 Y 6.99 4.05 0.00 2.42 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 0.00 153 R 7.37 4.18 0.00 1.56 1.59 0.00 3.32 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 1.53 1.42 0.00 154 P 0.00 4.52 0.00 2.21 2.27 0.00 3.55 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.98 0.00 155 K 8.32 4.11 0.00 1.68 1.67 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.29 1.33 7.81 * Residues marked with a * may have inaccurate shift predictions.