NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.2100 8.3044 120.3266 56.2532 33.3496 175.0882 2 L 3.7269 8.7497 123.6022 54.2737 41.8502 171.6689 3 Q 4.2044 8.5841 126.4460 54.7515 30.7258 171.2560 4 P 4.1907 0.0000 0.0000 63.1901 31.6454 177.8082 5 K 3.9397 8.5719 122.1625 58.7999 32.3598 176.7213 6 R 4.5378 7.0632 116.4941 55.9493 33.2690 173.6192 7 T 4.7379 8.0027 110.7526 60.0671 71.5162 174.3437 8 K 3.8818 8.5873 122.9518 58.5528 32.3541 176.9335 9 F 5.1336 7.5827 115.0328 55.4255 42.9235 174.8481 10 R 4.2410 8.8802 122.1214 58.5962 30.2500 176.8838 11 K 4.5472 7.7309 114.1358 54.7833 35.8555 175.2791 12 M 4.5712 8.0897 120.8730 53.7051 34.7049 176.4199 13 H 4.3159 8.4754 116.6582 60.6095 29.1423 175.1809 14 K 3.9851 9.8629 121.4740 56.6315 29.5200 176.3071 15 G 3.7242 7.7731 108.0118 46.7259 0.0000 169.9214 16 R 4.8619 8.1098 119.0295 55.3659 33.6268 174.8753 17 N 4.9262 8.2024 114.8597 52.7605 38.8402 175.5395 18 R 4.0259 7.9261 115.5820 56.8590 31.0485 176.9062 19 G 3.9428 8.6834 106.4976 44.8355 0.0000 173.0761 20 L 4.3050 7.9175 118.0767 53.4366 42.6222 177.2718 21 A 4.2566 8.7571 124.5587 52.6021 18.9732 177.5132 22 Q 4.4476 8.5399 117.8759 57.1020 31.1311 177.1494 23 G 3.8623 7.7638 107.9472 44.8997 0.0000 173.0425 24 T 4.7643 8.2991 115.3242 60.3466 68.9307 173.2258 25 D 4.6332 7.8113 118.1544 51.8922 42.2416 174.5680 26 V 3.7943 8.5610 120.7604 63.1892 31.1556 175.8413 27 S 4.5658 8.8227 123.7987 57.6278 62.9517 174.6359 28 F 4.1225 8.6636 119.1589 59.6746 44.4044 177.8273 29 G 3.6678 6.8286 111.6360 45.3644 0.0000 172.1302 30 S 4.4854 8.2644 113.7381 58.2736 65.0104 174.5735 31 F 5.5056 7.9889 117.3173 55.7162 43.0510 174.1551 32 G 4.3815 8.7018 106.6606 44.6174 0.0000 171.5712 33 L 4.5693 8.3995 122.1319 52.9322 44.4082 175.5705 34 K 4.6400 8.9701 128.2637 56.2187 34.9238 177.4211 35 A 3.9531 8.9075 128.2491 52.4556 17.7357 179.0558 36 V 3.0323 9.9035 122.0482 61.2052 31.3906 169.3932 37 G 4.2161 7.6197 105.7314 43.5096 0.0000 171.5457 38 R 4.5294 8.9311 118.8958 54.5084 32.7493 175.0496 39 G 3.8700 6.8631 106.6754 43.7857 0.0000 172.4696 40 R 5.0032 8.1868 115.4876 54.2700 32.2992 174.5723 41 L 5.2388 8.5779 120.7800 53.2219 43.5688 176.6970 42 T 4.8983 8.2213 109.0705 60.1888 68.6147 173.7703 43 A 3.9045 7.6279 123.1146 53.2682 18.4423 179.5092 44 R 3.5708 8.2169 114.9960 58.6853 30.7896 178.7484 45 Q 4.0093 7.8540 118.0566 58.6559 28.9229 177.9858 46 I 4.4356 7.7268 114.8957 64.1130 37.2690 177.1613 47 E 3.9315 9.4449 121.4095 58.5235 29.3926 179.0938 48 A 3.9158 8.4358 120.5362 55.6366 18.5856 179.1446 49 A 3.8544 8.7578 119.2744 55.1090 18.4538 179.3864 50 R 3.6910 8.5875 116.4182 59.8481 29.8239 178.4174 51 R 3.8435 8.5539 117.3927 59.5682 29.9395 178.5226 52 A 3.9922 7.7532 118.3931 55.8023 18.5313 179.0138 53 M 4.1165 8.0093 115.5826 57.8464 32.8441 178.4375 54 T 4.0944 9.0978 115.8730 63.8013 69.0470 173.4273 55 R 4.0133 5.8400 127.7517 55.2434 30.3032 174.4308 56 A 4.7953 7.4965 133.2775 53.0847 19.7540 178.7133 57 V 3.8410 8.4406 108.6709 61.8367 33.3343 178.4617 58 K 3.8265 7.8183 118.5901 57.4892 29.3244 177.1080 59 R 3.9486 8.3770 128.4402 58.0604 30.3417 176.1046 60 Q 3.8374 7.6800 117.9680 56.5151 29.4550 177.7036 61 G 3.9962 8.9732 103.5081 45.1159 0.0000 171.8790 62 K 4.6014 8.1980 118.2185 54.6295 36.3992 174.8975 63 I 5.0678 7.3692 123.0554 60.0857 40.9232 174.6705 64 W 4.7265 10.2066 127.6686 55.1968 32.0299 175.7373 65 I 4.1668 8.1562 122.4773 59.5624 37.8812 175.5285 66 R 3.9686 8.6557 127.6047 58.8691 30.3943 178.5218 67 V 4.0255 7.4157 110.3597 60.6983 32.6982 175.4629 68 F 4.5795 8.6121 123.8292 57.0409 42.7229 171.6237 69 P 3.3795 0.0000 0.0000 62.5086 31.3785 176.8515 70 D 4.5764 9.1596 124.4502 54.1811 40.1166 174.1112 71 K 4.5267 8.2535 121.9384 54.1288 32.4082 173.8252 72 P 2.9700 0.0000 0.0000 63.0161 31.7131 173.0147 73 I 2.9059 7.1233 132.4743 61.2212 33.8934 173.3627 74 T 4.9394 7.5290 115.8902 60.6471 71.5726 173.4376 75 E 4.5355 8.1022 117.8082 55.4120 31.9658 175.7032 76 K 4.0309 8.8627 129.8686 55.6422 32.5742 176.1419 77 P 4.8347 0.0000 0.0000 62.3501 32.2558 173.7874 78 L 4.3081 8.6479 125.4746 56.5267 40.0844 179.2319 79 A 4.4442 9.1258 113.2143 52.1780 17.9177 179.2512 80 V 3.7693 8.0327 119.0589 62.8868 32.0441 176.3883 81 R 4.2444 8.1260 121.7325 55.8815 31.4254 175.2007 82 M 4.2837 8.2398 118.1421 55.9719 33.0039 175.8530 83 G 4.4024 8.8786 119.0286 45.9195 0.0000 173.3048 84 K 4.5178 7.4377 123.2541 55.2149 30.3461 177.7494 85 G 4.0381 8.7767 106.4359 45.1338 0.0000 170.6423 86 K 4.2280 8.0884 119.9546 54.8447 33.1903 176.7705 87 G 3.9645 8.3797 111.3907 46.9216 0.0000 171.6828 88 N 5.0609 8.4218 115.7710 51.2023 41.1778 175.2240 89 V 3.7003 8.2683 122.4115 63.3579 31.4167 174.9705 90 E 4.7579 8.1109 128.5106 57.1451 31.9155 175.2802 91 Y 4.8456 6.8513 113.9978 55.9633 40.7251 173.8149 92 W 5.1452 8.8717 121.2445 55.2774 31.5473 175.4852 93 V 4.7917 9.1452 122.9366 59.8836 34.4961 174.9690 94 A 4.8247 9.1139 124.8170 49.9702 20.8368 176.0476 95 L 4.4071 8.7463 122.7871 55.9632 41.8056 177.1264 96 I 4.8206 8.8708 117.4757 59.0222 41.1351 174.3889 97 Q 4.6286 8.3257 120.3435 53.3488 32.9399 172.5732 98 P 4.5269 0.0000 0.0000 64.5517 31.8236 176.8700 99 G 4.2022 9.1676 109.9112 45.3422 0.0000 173.5724 100 K 4.2361 8.0910 120.1666 56.8014 33.0366 176.6497 101 V 4.1735 8.6389 126.4951 61.2607 31.9350 176.1318 102 L 4.0673 9.0678 126.7452 57.0332 42.7144 176.5494 103 Y 5.3029 7.7718 115.0014 56.1477 42.2558 174.3132 104 E 5.5190 9.2411 120.4227 55.0577 33.9417 174.5162 105 M 5.1417 9.4525 121.5833 55.2533 35.9687 173.0663 106 D 4.8945 9.6528 120.3537 54.3369 43.3443 177.0490 107 G 4.0300 8.3135 109.7174 44.4595 0.0000 173.4125 108 V 4.4941 7.2141 115.7881 60.2728 35.2759 171.9788 109 P 4.3330 0.0000 0.0000 64.5571 31.1665 178.2604 110 E 2.5477 8.0986 121.8649 57.0339 30.0450 178.6562 111 E 3.6460 7.9556 118.3877 59.5879 29.7998 179.2581 112 L 3.8324 8.2128 119.9118 58.1158 42.2221 178.5994 113 A 3.6416 7.9014 120.1416 55.3185 18.2399 179.5319 114 R 3.8848 8.1764 116.6615 59.3851 29.9850 179.2688 115 E 3.8744 7.9438 117.7456 59.3600 29.6173 178.9060 116 A 3.9679 8.6459 121.9257 55.3607 18.3932 179.7681 117 F 4.5235 8.5243 116.3602 60.9077 38.8830 177.5653 118 K 3.9082 8.3494 118.1370 59.9020 31.8305 178.1368 119 L 4.2000 8.2875 118.7591 57.4192 41.6361 179.0175 120 A 4.0110 8.0082 119.5993 54.4574 18.1171 179.2970 121 A 3.9975 7.9760 119.1304 54.4531 18.2535 178.9275 122 A 4.2331 7.5462 118.6827 53.4758 19.1292 178.3099 123 K 4.2571 7.6544 114.0798 56.9528 32.6421 176.7798 124 L 4.6379 7.2433 120.1102 52.6947 42.8328 174.7101 125 P 4.6518 0.0000 0.0000 62.8881 31.8787 175.7525 126 I 4.6742 7.2241 111.6870 58.6720 40.3880 175.1777 127 K 4.3454 8.5792 122.3404 57.0604 32.6042 176.0334 128 T 5.6245 8.2144 112.6593 59.8881 72.6810 172.2751 129 T 4.7381 8.8600 114.8816 60.7960 71.1559 172.3351 130 F 4.8734 8.8394 128.3548 58.1372 40.8431 175.0912 131 V 4.7047 7.4579 116.4976 60.3877 36.1118 174.3408 132 T 4.9374 8.5869 120.5926 61.6884 70.6864 174.3149 133 K 3.6698 8.9000 123.5455 59.6599 32.2945 174.1677 134 T 3.5668 7.9432 118.1662 63.5409 67.9245 172.3462 135 V 3.7441 8.3725 125.9931 65.5400 32.0516 175.3417 136 M 4.3045 7.6631 122.5845 55.7350 32.2863 174.0226 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 1 M 8.30 4.21 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.48 0.00 2 L 8.75 3.73 0.00 1.57 1.74 0.84 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 8.58 4.20 0.00 1.07 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.60 0.00 0.00 0.00 0.00 0.00 1.89 1.92 0.00 4 P 0.00 4.19 0.00 1.80 1.89 0.00 2.20 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 1.54 2.11 0.00 5 K 8.57 3.94 0.00 1.70 1.84 0.00 1.76 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.38 7.81 6 R 7.06 4.54 0.00 1.64 1.69 0.00 3.21 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.49 0.00 7 T 8.00 4.74 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 1.34 0.00 0.00 8 K 8.59 3.88 0.00 1.48 1.24 0.00 1.45 0.00 0.00 1.62 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.31 7.81 9 F 7.58 5.13 0.00 3.03 2.85 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 10 R 8.88 4.24 0.00 1.85 1.98 0.00 3.38 0.00 0.00 3.28 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 11 K 7.73 4.55 0.00 1.66 1.54 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.25 1.40 7.81 12 M 8.09 4.57 0.00 1.96 1.93 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 13 H 8.48 4.32 0.00 3.10 3.29 0.00 5.70 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.86 3.99 0.00 1.77 2.07 0.00 1.90 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.21 1.20 7.81 15 G 7.77 3.72 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 0.00 0.00 0.00 16 R 8.11 4.86 0.00 1.76 1.85 0.00 3.38 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.51 0.00 17 N 8.20 4.93 0.00 2.62 2.72 0.00 0.00 6.88 7.65 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 18 R 7.93 4.03 0.00 1.84 1.85 0.00 3.22 0.00 0.00 3.23 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.63 0.00 19 G 8.68 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 20 L 7.92 4.30 0.00 1.65 1.61 0.98 0.78 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 21 A 8.76 4.26 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 22 Q 8.54 4.45 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.34 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 23 G 7.76 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 8.30 4.76 4.37 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 1.21 0.00 0.00 25 D 7.81 4.63 0.00 2.75 2.55 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 26 V 8.56 3.79 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 0.89 0.00 0.00 0.93 0.00 0.00 27 S 8.82 4.57 0.00 3.58 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 28 F 8.66 4.12 0.00 1.81 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 29 G 6.83 3.67 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 0.00 0.00 0.00 30 S 8.26 4.49 0.00 2.72 3.35 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 0.00 31 F 7.99 5.51 0.00 3.12 2.84 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 32 G 8.70 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 0.00 0.00 0.00 0.00 33 L 8.40 4.57 0.00 0.36 1.26 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.97 4.64 0.00 1.77 1.62 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.47 7.81 35 A 8.91 3.95 1.25 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 0.00 0.00 36 V 9.90 3.03 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 0.82 0.00 0.00 0.95 0.00 0.00 37 G 7.62 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 38 R 8.93 4.53 0.00 1.76 1.81 0.00 3.24 0.00 0.00 3.59 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.59 0.00 39 G 6.86 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 40 R 8.19 5.00 0.00 1.93 1.91 0.00 3.09 0.00 0.00 3.29 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 41 L 8.58 5.24 0.00 1.77 1.65 0.97 0.61 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 42 T 8.22 4.90 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 43 A 7.63 3.90 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.22 3.57 0.00 1.87 2.04 0.00 3.10 0.00 0.00 3.33 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 45 Q 7.85 4.01 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 46 I 7.73 4.44 1.91 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 1.59 0.72 0.90 0.00 0.00 47 E 9.44 3.93 0.00 2.01 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 2.48 2.48 0.00 48 A 8.44 3.92 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 A 8.76 3.85 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.59 3.69 0.00 2.14 2.21 0.00 3.18 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.85 0.00 51 R 8.55 3.84 0.00 1.99 2.00 0.00 3.35 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.86 0.00 52 A 7.75 3.99 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 53 M 8.01 4.12 0.00 2.11 2.07 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.68 0.00 54 T 9.10 4.09 4.37 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 1.20 0.00 0.00 55 R 5.84 4.01 0.00 1.79 1.88 0.00 3.41 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 56 A 7.50 4.80 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.44 3.84 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 0.71 0.00 0.00 0.98 0.00 0.00 58 K 7.82 3.83 0.00 1.89 0.94 0.00 1.87 0.00 0.00 1.62 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.32 1.46 7.81 59 R 8.38 3.95 0.00 1.76 1.81 0.00 3.27 0.00 0.00 3.27 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 60 Q 7.68 3.84 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.32 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 61 G 8.97 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.20 4.60 0.00 1.67 1.39 0.00 1.53 0.00 0.00 1.28 0.00 0.00 2.63 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.30 0.97 7.81 63 I 7.37 5.07 1.82 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.62 1.04 0.00 0.00 64 W 10.21 4.73 0.00 3.15 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 65 I 8.16 4.17 1.87 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 1.52 0.76 0.80 0.00 0.00 66 R 8.66 3.97 0.00 1.85 1.92 0.00 3.02 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.78 0.00 67 V 7.42 4.03 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 0.60 0.00 0.00 0.68 0.00 0.00 68 F 8.61 4.58 0.00 2.93 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 69 P 0.00 3.38 0.00 1.93 1.88 0.00 2.82 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.99 0.00 70 D 9.16 4.58 0.00 3.04 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 71 K 8.25 4.53 0.00 1.90 2.11 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.29 1.35 7.81 72 P 0.00 2.97 0.00 1.88 1.42 0.00 3.74 0.00 0.00 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.77 0.00 73 I 7.12 2.91 1.19 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.13 0.12 0.00 0.00 74 T 7.53 4.94 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 75 E 8.10 4.54 0.00 1.98 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 2.15 2.31 0.00 76 K 8.86 4.03 0.00 1.78 1.70 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.82 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.42 1.53 7.81 77 P 0.00 4.83 0.00 2.08 1.92 0.00 3.71 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 2.03 2.10 0.00 78 L 8.65 4.31 0.00 1.67 0.95 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 9.13 4.44 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 80 V 8.03 3.77 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 0.72 0.00 0.00 0.93 0.00 0.00 81 R 8.13 4.24 0.00 1.77 1.91 0.00 3.27 0.00 0.00 3.22 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.70 0.00 82 M 8.24 4.28 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.47 0.00 83 G 8.88 4.40 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 0.00 84 K 7.44 4.52 0.00 1.75 1.82 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.86 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.45 7.81 85 G 8.78 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 86 K 8.09 4.23 0.00 1.70 1.68 0.00 1.76 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.35 1.40 7.81 87 G 8.38 3.96 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 0.00 0.00 0.00 88 N 8.42 5.06 0.00 2.67 2.71 0.00 0.00 6.48 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 89 V 8.27 3.70 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 0.28 0.00 0.00 0.68 0.00 0.00 90 E 8.11 4.76 0.00 1.98 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 91 Y 6.85 4.85 0.00 3.03 2.84 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 92 W 8.87 5.15 0.00 3.29 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 93 V 9.15 4.79 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 0.68 0.00 0.00 1.04 0.00 0.00 94 A 9.11 4.82 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 95 L 8.75 4.41 0.00 1.55 1.78 0.95 0.88 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 96 I 8.87 4.82 1.87 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 1.30 1.06 1.00 0.00 0.00 97 Q 8.33 4.63 0.00 2.17 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.06 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 98 P 0.00 4.53 0.00 2.20 2.04 0.00 3.56 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.11 0.00 99 G 9.17 4.20 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 0.00 0.00 0.00 100 K 8.09 4.24 0.00 1.90 1.75 0.00 1.64 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.54 7.81 101 V 8.64 4.17 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 0.71 0.00 0.00 0.88 0.00 0.00 102 L 9.07 4.07 0.00 1.65 1.28 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.77 5.30 0.00 2.71 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 0.00 104 E 9.24 5.52 0.00 2.01 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 2.36 2.24 0.00 105 M 9.45 5.14 0.00 2.18 2.02 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.58 0.00 106 D 9.65 4.89 0.00 3.49 2.73 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 0.00 107 G 8.31 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 0.00 108 V 7.21 4.49 2.20 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 0.86 0.00 0.00 0.97 0.00 0.00 109 P 0.00 4.33 0.00 2.23 2.02 0.00 3.72 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 110 E 8.10 2.55 0.00 2.02 1.70 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 2.06 2.60 0.00 111 E 7.96 3.65 0.00 2.00 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 2.33 2.41 0.00 112 L 8.21 3.83 0.00 1.75 1.75 0.95 1.19 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 0.00 113 A 7.90 3.64 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 0.00 114 R 8.18 3.88 0.00 1.73 1.68 0.00 2.65 0.00 0.00 2.76 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 115 E 7.94 3.87 0.00 2.18 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 2.28 2.43 0.00 116 A 8.65 3.97 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 0.00 117 F 8.52 4.52 0.00 3.48 3.08 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 0.00 118 K 8.35 3.91 0.00 1.77 2.06 0.00 1.79 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.49 1.55 7.81 119 L 8.29 4.20 0.00 1.91 1.69 0.92 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.01 4.01 1.19 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 0.00 121 A 7.98 4.00 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 0.00 122 A 7.55 4.23 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 0.00 123 K 7.65 4.26 0.00 1.73 1.87 0.00 1.71 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.54 7.81 124 L 7.24 4.64 0.00 1.79 1.63 1.07 1.11 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 0.00 125 P 0.00 4.65 0.00 2.19 2.17 0.00 3.74 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.14 0.00 126 I 7.22 4.67 1.89 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 1.44 0.64 1.00 0.00 0.00 127 K 8.58 4.35 0.00 1.68 1.80 0.00 1.70 0.00 0.00 1.77 0.00 0.00 2.87 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.46 1.45 7.81 128 T 8.21 5.62 4.34 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 1.29 0.00 0.00 129 T 8.86 4.74 4.28 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 1.24 0.00 0.00 130 F 8.84 4.87 0.00 3.17 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 0.00 131 V 7.46 4.70 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 0.63 0.00 0.00 0.85 0.00 0.00 132 T 8.59 4.94 4.41 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 1.41 0.00 0.00 133 K 8.90 3.67 0.00 1.64 1.84 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.42 7.81 134 T 7.94 3.57 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 1.27 0.00 0.00 135 V 8.37 3.74 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.93 0.00 0.00 136 M 7.66 4.30 0.00 1.94 1.82 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.51 0.00