NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5999 8.2233 120.1887 53.9580 42.1350 176.4269 4 N 4.2706 8.5460 122.8463 55.5198 38.4946 176.3089 5 N 4.3536 8.4403 118.2450 56.1828 39.0818 176.6564 6 Q 3.8943 8.0096 120.2389 59.0620 28.8014 177.6705 7 A 3.9279 7.6837 121.6894 55.2500 18.3516 179.5798 8 L 3.8707 7.5024 116.5126 58.0492 41.7960 180.0092 9 K 4.1318 8.1491 118.3404 59.5309 31.8055 178.7859 10 D 4.5722 8.7901 117.3318 55.6515 40.8103 177.2711 11 A 4.5892 7.3043 120.0077 51.3004 19.3139 177.6680 12 G 3.8398 7.9233 106.1945 46.1131 0.0000 173.6361 13 L 4.5785 7.5504 119.9715 52.1827 42.8922 176.5239 14 K 3.8600 8.6646 124.9206 56.6215 32.5994 176.0733 15 V 3.8765 8.2604 125.6170 62.8320 32.1900 175.7160 16 T 4.7627 8.0693 116.2716 59.1169 73.2322 174.6492 17 L 3.9403 8.3366 122.7479 57.8262 42.2910 176.9528 18 P 4.2416 0.0000 0.0000 65.7590 31.2657 178.6041 19 R 3.9745 7.6424 115.2231 59.3439 30.0304 179.0804 20 L 4.0560 7.9466 118.6122 57.9550 41.5320 179.8871 21 K 4.1676 8.2569 118.2966 59.2844 31.9361 179.5387 22 I 3.8262 7.9841 120.3167 63.7862 37.1938 178.1820 23 L 4.0248 8.2958 121.3318 58.1555 41.7840 178.2871 24 E 4.1001 8.2277 119.8399 59.0671 29.8242 178.8917 25 V 3.7330 7.5600 117.9017 66.1110 31.4191 177.9485 26 L 4.0706 7.7178 117.2600 57.5900 41.3133 178.8281 27 Q 4.2622 7.8877 116.3286 56.0205 29.1438 175.8484 28 Q 4.2900 7.7308 121.1410 54.9858 29.3682 175.1927 29 P 4.2472 0.0000 0.0000 65.6700 31.4113 176.8618 30 E 4.4155 8.0906 112.2090 56.8275 30.0338 176.0853 31 C 4.8263 8.0829 117.5522 59.7157 28.7203 175.0419 32 Q 4.0967 8.3160 123.5174 58.7209 28.8685 175.8742 33 H 5.1688 8.0042 113.8596 53.9284 32.0478 172.9671 34 I 4.8319 8.8975 123.1528 59.7815 41.8745 174.1520 35 S 5.1864 9.7707 123.8040 56.9188 64.5315 174.9065 36 A 3.6373 8.8580 122.4851 55.4186 17.6769 180.1061 37 E 3.9840 8.0039 116.4451 59.6373 29.7188 179.1517 38 E 3.9937 8.1437 118.6046 59.2684 29.5362 179.1143 39 L 3.9094 8.1028 120.5056 58.1800 42.1354 178.2916 40 Y 4.0681 8.0816 119.3752 60.8716 38.7637 178.2917 41 K 3.6227 8.4105 119.6599 59.1005 32.0828 179.2197 42 K 3.8229 8.1353 119.8459 59.6022 32.2068 178.7257 43 L 3.9349 7.7102 119.1291 57.8601 41.4620 179.7054 44 I 3.5368 7.3666 119.5090 64.5583 36.8518 178.3189 45 D 4.3781 7.7263 117.9854 56.7998 40.6320 177.8586 46 L 4.3827 7.6315 117.4294 54.4218 41.8374 177.7290 47 G 3.8988 7.9913 107.5320 45.4027 0.0000 173.9970 48 E 4.2759 7.8263 118.8261 56.1858 30.1342 176.4305 49 E 4.5737 8.3635 117.7558 56.0282 30.3069 176.4207 50 I 3.7152 7.8039 121.0222 61.2984 37.4004 176.8822 51 G 3.9457 8.5286 112.3520 44.1328 0.0000 173.6466 52 L 3.8122 7.8641 120.8035 57.4813 41.9333 178.6639 53 A 4.0514 7.8834 120.6470 55.3585 18.3044 179.5281 54 T 3.7417 7.7979 113.6964 66.6633 68.5317 176.5722 55 V 3.4033 7.4461 119.7008 66.3277 31.3692 177.5517 56 Y 3.8923 8.0442 116.3338 61.0646 37.7737 178.6285 57 R 3.8499 8.3661 119.8904 59.4717 30.1026 178.6964 58 V 3.4825 8.1148 119.5110 65.4085 31.4013 177.9415 59 L 3.5985 7.6826 118.9550 57.6092 41.2613 179.2166 60 N 4.4192 8.3006 116.5703 56.6072 38.1842 177.4679 61 Q 4.0760 7.9899 119.2756 59.0235 28.8013 178.8701 62 F 4.4940 8.6274 119.3694 60.4339 39.0133 177.0998 63 D 4.7183 8.4496 119.4091 57.2088 40.8997 178.2615 64 D 4.4399 8.1468 117.6023 57.1057 40.9386 177.9799 65 A 4.2970 8.1269 118.9038 52.3512 18.5762 178.2906 66 G 3.9167 7.7342 104.9478 45.6746 0.0000 175.0869 67 I 3.7744 7.9422 122.5773 63.3838 37.2108 176.1953 68 V 5.0657 7.6189 111.2513 59.7575 36.1071 174.6463 69 T 4.6911 8.7641 118.3974 61.8572 71.2782 173.3881 70 R 4.0608 8.5150 126.4820 55.3365 31.4088 174.8273 71 H 4.9121 8.6907 123.6539 54.3097 31.7748 173.0390 72 H 4.8704 8.7503 120.2850 54.6261 29.4210 175.0187 73 F 4.7841 9.1659 124.9438 56.0902 41.0905 174.8655 74 E 3.5359 8.3314 120.8328 58.1407 29.2858 177.8251 75 G 3.7671 9.1341 109.7588 44.4412 0.0000 170.3924 76 G 3.7331 8.1591 114.9007 45.8075 0.0000 171.6226 77 K 4.0192 8.0772 121.6419 56.1171 33.5567 175.0509 78 S 4.9248 8.7084 123.5532 57.1971 64.8465 173.5322 79 V 4.7037 7.9759 117.6353 59.4726 34.8934 174.7580 80 F 5.5221 9.9198 122.4335 55.1807 42.8571 173.9656 81 E 5.1024 8.4152 116.6365 55.1288 32.7925 174.2499 82 L 4.6153 8.4230 120.7387 54.6452 42.4275 177.4369 83 S 4.5365 8.3901 119.0436 59.3089 63.5011 173.9202 84 T 4.6625 8.0500 110.6619 60.4182 71.2840 174.0819 85 Q 3.9558 8.4701 122.0632 59.0495 28.9655 176.0151 86 H 4.2782 7.7419 114.1454 55.8602 28.1167 174.4202 87 H 4.2466 8.6808 125.3034 56.3708 30.2462 173.9001 88 H 4.8794 7.9381 120.5010 54.3711 32.2690 171.1477 89 D 4.5868 8.3422 118.3914 52.4496 44.8519 174.6273 90 H 5.3595 8.2108 114.6133 54.1798 32.8412 172.6831 91 L 5.0869 9.3611 125.0790 53.2222 44.5835 175.0015 92 V 4.7965 9.0016 126.5581 61.1966 34.3514 173.6106 93 C 5.0503 9.0210 126.2020 56.6548 40.7104 173.6328 94 L 4.5404 9.1988 123.4112 55.2892 41.1362 177.2490 95 D 4.7594 8.0949 116.0484 52.8869 41.4476 175.6341 96 C 4.5857 8.2652 114.8565 58.4541 29.3978 173.4217 97 G 4.0402 8.0787 107.3321 46.7385 0.0000 172.8587 98 E 4.6965 8.1332 119.0938 53.8940 32.5333 174.4874 99 V 4.7546 8.5076 126.3913 61.3466 33.7838 174.3777 100 I 4.3938 8.7568 130.1874 60.2945 38.7271 175.1449 101 E 5.0266 8.7950 126.5183 55.7074 30.8351 175.5099 102 F 4.9629 8.4539 117.2736 56.0058 42.1828 173.7679 103 S 4.6841 8.5817 114.3147 57.2585 63.6006 171.4546 104 D 4.7555 8.6824 125.4078 53.0154 42.3338 177.0272 105 D 4.3935 8.8099 126.5611 57.3520 40.8322 179.0706 106 V 3.5616 7.7848 118.2540 65.9911 31.6976 177.8457 107 I 3.6900 8.1002 119.4773 64.5398 36.9402 177.9513 108 E 3.8810 8.2142 119.2430 59.7232 29.0580 179.4657 109 Q 3.9328 8.3299 119.3861 59.2325 29.0483 178.3490 110 R 3.9362 8.3669 119.5074 59.3185 30.0973 178.7980 111 Q 3.9919 8.0339 117.7958 59.1980 28.8638 179.3717 112 K 4.0069 7.5914 118.6141 59.6094 31.9742 179.2131 113 E 4.0675 7.8661 118.4436 59.1021 29.5187 179.3428 114 I 3.7287 8.1298 120.0061 64.2743 37.3370 177.9991 115 A 4.0751 8.5339 121.8744 55.3939 17.9494 179.2870 116 A 4.2332 7.6936 116.9041 53.9989 18.9035 179.2358 117 K 3.8211 8.0392 118.4068 58.5917 32.4331 176.6876 118 Y 4.4926 6.8279 114.3707 56.8552 39.8413 175.7913 119 N 4.7094 8.4717 120.0775 52.4510 37.3517 175.3517 120 V 4.2455 7.8456 117.1841 60.8391 34.1439 174.5902 121 Q 4.2497 8.5889 128.7111 54.4361 28.6157 174.7404 122 L 4.1730 8.4561 128.6833 55.2509 42.6227 176.4520 123 T 4.5010 8.1290 114.4851 62.0997 70.8743 173.0320 124 N 4.5894 7.7233 117.1872 53.3705 41.4899 172.0531 125 H 5.0363 8.2845 116.4737 54.3315 31.7038 172.6663 126 S 4.4582 8.2682 113.1863 56.5070 65.9237 173.0498 127 L 4.6705 7.8570 124.3642 53.4906 45.2259 174.2666 128 Y 4.9383 8.5760 122.9802 56.1796 41.0111 174.5862 129 L 4.6434 8.8771 125.1101 53.1589 44.0420 175.1477 130 Y 5.1686 8.4547 120.9578 56.4468 40.8133 175.0162 131 G 4.1891 9.0007 109.3293 45.2760 0.0000 171.9759 132 K 4.8081 8.5800 119.9034 55.8773 32.9598 178.4345 133 C 4.5626 9.5523 122.1358 57.1057 41.5579 173.7527 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 3 D 8.22 4.60 0.00 2.76 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 4 N 8.55 4.27 0.00 2.93 2.84 0.00 0.00 7.12 6.03 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 5 N 8.44 4.35 0.00 3.06 2.86 0.00 0.00 6.80 7.87 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 6 Q 8.01 3.89 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 7 A 7.68 3.93 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 8 L 7.50 3.87 0.00 1.89 1.91 0.98 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 9 K 8.15 4.13 0.00 1.79 1.85 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.69 7.81 10 D 8.79 4.57 0.00 2.75 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 11 A 7.30 4.59 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 12 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 13 L 7.55 4.58 0.00 1.88 1.69 1.15 0.95 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 14 K 8.66 3.86 0.00 1.73 1.75 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.46 7.81 15 V 8.26 3.88 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 0.89 0.00 0.00 0.94 0.00 0.00 16 T 8.07 4.76 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 1.22 0.00 0.00 17 L 8.34 3.94 0.00 1.78 1.70 0.93 0.90 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 18 P 0.00 4.24 0.00 2.16 2.06 0.00 3.66 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 2.10 2.18 0.00 19 R 7.64 3.97 0.00 2.18 2.19 0.00 3.29 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 20 L 7.95 4.06 0.00 1.89 1.74 0.93 1.07 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 21 K 8.26 4.17 0.00 1.88 1.85 0.00 1.65 0.00 0.00 1.73 0.00 0.00 2.95 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.61 7.81 22 I 7.98 3.83 1.89 0.00 0.00 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 1.34 0.61 0.79 0.00 0.00 23 L 8.30 4.02 0.00 2.03 1.95 0.75 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 24 E 8.23 4.10 0.00 2.19 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 0.00 2.34 2.23 0.00 25 V 7.56 3.73 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 0.97 0.00 0.00 0.98 0.00 0.00 26 L 7.72 4.07 0.00 1.90 1.77 1.09 1.06 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 27 Q 7.89 4.26 0.00 2.30 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 28 Q 7.73 4.29 0.00 2.25 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.85 6.67 0.00 0.00 0.00 0.00 0.00 2.38 2.48 0.00 29 P 0.00 4.25 0.00 2.04 2.16 0.00 3.67 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 2.05 2.12 0.00 30 E 8.09 4.42 0.00 2.09 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 2.25 2.28 0.00 31 C 8.08 4.83 0.00 3.14 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 32 Q 8.32 4.10 0.00 2.20 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.88 6.71 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 33 H 8.00 5.17 0.00 3.06 3.22 0.00 5.97 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 I 8.90 4.83 1.92 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 1.31 1.37 1.02 0.00 0.00 35 S 9.77 5.19 0.00 4.13 3.97 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 36 A 8.86 3.64 0.41 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 37 E 8.00 3.98 0.00 2.12 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 2.46 2.51 0.00 38 E 8.14 3.99 0.00 2.20 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 2.36 2.35 0.00 39 L 8.10 3.91 0.00 1.79 1.85 0.88 0.59 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 40 Y 8.08 4.07 0.00 3.05 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 41 K 8.41 3.62 0.00 2.03 1.79 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.98 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.40 1.49 7.81 42 K 8.14 3.82 0.00 2.06 1.76 0.00 1.52 0.00 0.00 1.64 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.50 7.81 43 L 7.71 3.93 0.00 1.86 1.65 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 44 I 7.37 3.54 1.73 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.28 0.79 0.00 0.00 45 D 7.73 4.38 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 46 L 7.63 4.38 0.00 1.73 1.67 0.90 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 47 G 7.99 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 0.00 0.00 0.00 48 E 7.83 4.28 0.00 2.05 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 0.00 2.41 2.40 0.00 49 E 8.36 4.57 0.00 1.93 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 2.20 2.23 0.00 50 I 7.80 3.72 1.90 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 1.35 0.47 0.92 0.00 0.00 51 G 8.53 3.95 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 0.00 0.00 0.00 52 L 7.86 3.81 0.00 0.57 1.15 0.73 1.02 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 53 A 7.88 4.05 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 54 T 7.80 3.74 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 1.16 0.00 0.00 55 V 7.45 3.40 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 0.92 0.00 0.00 0.99 0.00 0.00 56 Y 8.04 3.89 0.00 3.31 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 57 R 8.37 3.85 0.00 1.82 2.09 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.62 0.00 58 V 8.11 3.48 1.69 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 0.22 0.00 0.00 0.80 0.00 0.00 59 L 7.68 3.60 0.00 1.14 0.51 -0.07 0.36 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 60 N 8.30 4.42 0.00 3.09 2.91 0.00 0.00 7.02 8.17 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 61 Q 7.99 4.08 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.59 0.00 62 F 8.63 4.49 0.00 3.15 3.03 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 63 D 8.45 4.72 0.00 3.06 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 64 D 8.15 4.44 0.00 2.75 2.76 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 0.00 0.00 0.00 65 A 8.13 4.30 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 G 7.73 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 0.00 0.00 0.00 67 I 7.94 3.77 1.70 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.63 0.34 0.00 0.00 68 V 7.62 5.07 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 1.12 0.00 0.00 1.24 0.00 0.00 69 T 8.76 4.69 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 70 R 8.51 4.06 0.00 1.84 1.63 0.00 2.90 0.00 0.00 2.77 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.50 0.00 71 H 8.69 4.91 0.00 2.79 3.19 0.00 5.65 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.75 4.87 0.00 3.01 3.24 0.00 5.69 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 F 9.17 4.78 0.00 2.87 3.03 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 74 E 8.33 3.54 0.00 1.16 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 2.04 1.83 0.00 75 G 9.13 3.77 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 0.00 0.00 0.00 76 G 8.16 3.73 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 0.00 77 K 8.08 4.02 0.00 1.92 1.81 0.00 1.82 0.00 0.00 1.97 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.42 1.50 7.81 78 S 8.71 4.92 0.00 3.78 3.24 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 79 V 7.98 4.70 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 0.34 0.00 0.00 -0.14 0.00 0.00 80 F 9.92 5.52 0.00 2.75 2.92 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 E 8.42 5.10 0.00 1.99 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 2.36 2.40 0.00 82 L 8.42 4.62 0.00 1.56 1.63 0.94 0.88 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 83 S 8.39 4.54 0.00 3.77 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 84 T 8.05 4.66 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 85 Q 8.47 3.96 0.00 1.92 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.16 0.00 0.00 0.00 0.00 0.00 2.33 2.31 0.00 86 H 7.74 4.28 0.00 3.18 3.29 0.00 5.71 0.00 0.00 0.00 0.00 6.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.68 4.25 0.00 3.06 3.22 0.00 5.88 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 H 7.94 4.88 0.00 3.02 3.07 0.00 5.52 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 D 8.34 4.59 0.00 1.58 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 0.00 0.00 0.00 0.00 90 H 8.21 5.36 0.00 3.14 3.20 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 91 L 9.36 5.09 0.00 1.78 1.74 0.83 0.64 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 92 V 9.00 4.80 1.79 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 1.05 0.00 0.00 0.22 0.00 0.00 93 C 9.02 5.05 0.00 2.94 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 94 L 9.20 4.54 0.00 1.51 1.72 0.92 0.97 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 95 D 8.09 4.76 0.00 2.73 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 96 C 8.27 4.59 0.00 2.99 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.08 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 0.00 0.00 0.00 98 E 8.13 4.70 0.00 2.11 1.83 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 2.29 2.36 0.00 99 V 8.51 4.75 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 0.90 0.00 0.00 1.14 0.00 0.00 100 I 8.76 4.39 1.92 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 1.25 0.30 0.97 0.00 0.00 101 E 8.79 5.03 0.00 1.81 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 2.32 2.33 0.00 102 F 8.45 4.96 0.00 3.03 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 0.00 103 S 8.58 4.68 0.00 3.81 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 0.00 104 D 8.68 4.76 0.00 3.00 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 D 8.81 4.39 0.00 2.74 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 0.00 106 V 7.78 3.56 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 1.15 0.00 0.00 0.94 0.00 0.00 107 I 8.10 3.69 1.96 0.00 0.00 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 1.56 0.56 0.95 0.00 0.00 108 E 8.21 3.88 0.00 2.14 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 2.66 2.49 0.00 109 Q 8.33 3.93 0.00 2.21 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.80 0.00 0.00 0.00 0.00 0.00 2.35 2.58 0.00 110 R 8.37 3.94 0.00 1.97 1.97 0.00 3.36 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.83 0.00 111 Q 8.03 3.99 0.00 2.19 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.60 0.00 112 K 7.59 4.01 0.00 2.01 1.86 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.62 7.81 113 E 7.87 4.07 0.00 2.14 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 2.32 2.34 0.00 114 I 8.13 3.73 1.93 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 1.55 0.99 1.11 0.00 0.00 115 A 8.53 4.08 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 0.00 116 A 7.69 4.23 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 0.00 117 K 8.04 3.82 0.00 1.73 1.82 0.00 1.65 0.00 0.00 1.56 0.00 0.00 3.00 0.00 0.00 2.61 0.00 0.00 0.00 0.00 0.60 1.17 7.81 118 Y 6.83 4.49 0.00 3.05 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 0.00 119 N 8.47 4.71 0.00 2.73 2.82 0.00 0.00 6.65 7.68 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 0.00 120 V 7.85 4.25 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 0.79 0.00 0.00 0.98 0.00 0.00 121 Q 8.59 4.25 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 122 L 8.46 4.17 0.00 1.64 1.57 0.94 0.94 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 0.00 123 T 8.13 4.50 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 1.28 0.00 0.00 124 N 7.72 4.59 0.00 2.63 2.68 0.00 0.00 6.75 7.89 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 0.00 125 H 8.28 5.04 0.00 3.24 3.20 0.00 5.55 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.27 4.46 0.00 3.87 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 0.00 127 L 7.86 4.67 0.00 1.71 1.52 0.97 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 128 Y 8.58 4.94 0.00 2.74 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 0.00 0.00 0.00 129 L 8.88 4.64 0.00 1.47 1.50 0.68 0.60 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 0.00 130 Y 8.45 5.17 0.00 2.77 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 0.00 131 G 9.00 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 0.00 0.00 0.00 132 K 8.58 4.81 0.00 1.66 1.77 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.42 7.81 133 C 9.55 4.56 0.00 2.90 2.96 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 0.00 0.00 0.00 0.00