NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2674 8.4444 120.2248 56.5650 30.4597 173.2638 4 E 4.5993 7.8800 127.6190 56.0570 33.4968 176.8125 5 K 4.5920 7.8662 119.0640 55.5190 35.7561 177.7870 6 R 3.5738 8.3142 123.8542 55.9282 29.1600 179.2564 7 S 3.8202 8.8997 109.3466 59.0630 61.2673 172.5580 8 S 4.5815 7.5278 115.9429 56.2257 61.4307 172.7571 9 T 4.4709 7.5653 120.1276 62.0027 70.4231 172.8909 10 G 4.0244 8.2887 112.8188 44.0312 0.0000 172.7763 11 F 5.1258 8.4426 127.4888 58.4137 38.1590 179.3772 12 L 4.4476 8.1997 120.0760 54.4758 40.9175 175.8791 13 V 4.5240 7.8427 118.5517 59.9931 35.0546 176.0338 14 K 4.2843 8.2641 121.2854 55.7477 34.1372 178.0945 15 Q 3.9203 8.5991 122.6431 59.7214 29.0177 178.9573 16 R 4.1498 8.5002 119.4766 58.8134 29.6902 178.7269 17 A 4.6409 8.0444 121.0548 54.4663 18.5001 179.2407 18 F 4.1793 8.5873 119.4470 61.6606 39.4913 177.4594 19 L 4.3578 8.7344 119.0363 57.6198 41.4406 179.4713 20 K 3.9808 8.3356 118.6727 59.2326 31.9644 178.9243 21 L 4.0663 7.8531 120.0330 58.6551 41.9662 178.6984 22 Y 3.8683 7.6572 115.0769 61.4030 37.9113 178.7189 23 M 4.1135 8.3443 119.6064 58.1507 32.0883 178.9795 24 I 3.9129 8.0242 120.2083 64.8160 37.3421 178.5683 25 T 4.3782 7.9024 117.8835 66.5188 68.2561 176.6731 26 M 4.1413 8.4461 120.8610 58.7214 31.9097 179.0054 27 T 3.7240 7.8306 115.5467 66.4036 68.3575 176.6090 28 E 4.1467 8.3123 120.3719 59.0231 29.2078 178.3490 29 Q 4.5075 7.5455 115.0070 54.5774 29.2370 175.2670 30 E 3.7472 8.0154 118.4527 57.6372 27.4674 175.0529 31 R 4.6682 8.1056 110.5460 55.8050 30.5749 175.3521 32 L 4.4099 7.5940 122.3805 54.5610 41.0069 173.5925 33 Y 4.8947 8.2117 121.8342 57.0042 40.3615 173.9648 34 G 3.9759 9.4013 105.5152 49.8780 0.0000 174.4442 35 L 4.4948 9.1429 123.0331 55.0275 42.8860 174.6470 36 K 4.1073 8.2771 131.5526 56.9155 32.1692 177.0273 37 L 3.9653 8.1334 121.7986 58.1520 41.9670 178.6584 38 L 3.9659 7.9547 119.7573 58.2189 42.0117 178.5829 39 E 4.0225 8.1393 118.4233 59.0188 29.3420 179.2800 40 V 3.7228 7.6752 118.6278 64.4902 31.5155 178.2688 41 L 4.1175 8.2946 120.1519 57.6577 41.6009 179.5926 42 R 3.9564 8.2487 118.2892 59.1673 29.8365 178.9201 43 S 4.1571 7.7044 111.2360 60.6976 62.3721 175.2499 44 E 3.9014 7.3702 120.6270 57.6762 29.6028 176.6881 45 F 5.0557 7.6570 115.1420 56.5362 40.4071 176.7904 46 K 3.9667 8.3316 121.3104 59.9355 32.3723 178.0725 47 E 4.1364 8.2726 116.3800 59.2427 29.6558 178.2369 48 I 3.8591 7.7860 118.8943 62.2999 37.4776 176.9224 49 G 4.0264 8.4332 107.9778 45.0698 0.0000 172.5489 50 F 4.7092 8.0705 121.5427 56.4829 40.1012 175.0215 51 K 4.0541 8.2804 129.3515 53.4034 32.2820 173.2870 52 P 3.9498 0.0000 0.0000 62.8548 31.8953 176.9854 53 N 4.4947 9.4108 121.4168 53.2108 39.8841 175.6536 54 H 4.0996 9.0002 124.5225 59.8139 29.9519 177.4430 55 T 4.1069 7.9094 110.7236 64.5323 68.9682 176.5871 56 E 4.0416 8.2112 121.0009 59.1239 29.6259 179.1681 57 V 3.5951 7.8688 118.3358 66.3329 31.5753 177.4611 58 Y 4.0813 7.7984 119.0592 60.4848 38.5141 178.3944 59 R 3.6480 8.2005 119.6697 59.4640 30.2058 178.2423 60 S 4.0986 8.2720 115.3612 61.7970 62.8552 176.7652 61 L 3.7920 7.6696 122.1068 58.5002 41.8116 178.7959 62 H 4.0008 7.7876 116.1580 58.7837 28.4957 177.6910 63 E 3.9461 8.1795 120.4869 59.3660 29.2763 179.4159 64 L 3.9558 8.0081 119.0315 57.3875 41.5734 179.6518 65 L 3.9854 7.7117 119.1984 57.9569 41.4761 179.1616 66 D 4.4371 8.4967 117.4688 56.9514 40.9626 177.3350 67 D 4.4120 8.3287 117.8050 55.0875 41.3785 177.1060 68 G 3.9137 8.2905 108.1195 45.9667 0.0000 175.2374 69 I 4.0351 7.8159 122.1922 62.4174 38.6907 175.8899 70 L 5.3600 7.9521 120.1507 52.9916 44.2399 176.0360 71 K 4.8958 9.3393 119.4620 55.4017 36.7299 174.6924 72 Q 4.7875 8.5722 118.5604 54.4615 30.7402 174.9595 73 I 4.1858 8.5283 124.9710 60.0531 38.3816 174.6428 74 K 4.9490 8.4643 126.7978 54.6943 34.2203 176.4004 75 V 4.4233 8.5941 123.4388 60.6421 34.9014 174.7420 76 K 4.3976 8.8512 127.2900 56.7559 32.4440 176.4605 77 K 4.0862 8.9948 127.4284 56.3469 32.6805 177.8124 78 E 4.0453 9.0947 127.4568 59.1705 29.6919 177.7429 79 G 3.9630 7.9072 105.2361 44.7659 0.0000 173.4298 80 A 4.3380 7.5798 122.7766 50.4049 21.1736 177.0554 81 K 4.0837 8.4938 122.7759 58.5855 33.2640 177.2468 82 L 3.7448 8.7310 120.2821 55.1147 39.1522 173.5504 83 Q 4.9237 7.5798 119.4347 54.3167 31.9555 174.1948 84 E 5.1427 8.4052 121.6349 54.6765 32.9610 174.7429 85 V 3.8187 8.9941 124.0641 62.8439 33.0036 174.6150 86 V 4.6061 8.5178 127.5933 61.0534 33.8513 173.6324 87 L 4.6016 8.6189 130.1950 53.3803 44.7237 174.3028 88 Y 4.9693 8.1142 122.7664 56.5676 39.8431 175.0141 89 Q 4.4028 8.6426 121.2419 53.7271 34.0407 174.1899 90 F 4.9089 8.3335 119.2845 57.8524 39.0378 175.7669 91 K 4.1896 9.1468 125.5049 58.1264 33.3241 176.1767 92 D 4.7724 7.8348 118.0595 51.5388 41.5512 174.7955 93 Y 3.7563 8.2520 125.8408 59.8774 38.9570 176.7694 94 E 3.7042 8.0764 119.1407 59.0968 29.6279 178.9337 95 A 3.9138 8.3029 120.6058 55.0204 18.4410 179.4260 96 A 3.9310 7.8698 119.3211 55.3059 18.4355 179.8228 97 K 3.6598 7.9269 118.2794 59.2282 32.1102 179.0942 98 L 3.8459 7.8748 119.5206 57.9158 41.7679 178.3903 99 Y 4.0867 8.0629 119.3334 61.0336 38.3885 178.7309 100 K 3.9551 7.9196 117.8999 59.1568 32.5772 178.8253 101 K 3.9526 7.8677 119.8113 59.9386 31.9898 178.9137 102 Q 3.9849 8.5526 118.1645 58.6560 28.5569 178.6245 103 L 4.0327 7.8049 119.8615 56.7791 41.5980 179.1160 104 K 3.9412 7.8534 119.8247 59.2942 31.7913 179.0172 105 V 3.5506 7.6444 118.2451 65.8345 31.4318 177.7449 106 E 3.9492 7.7718 117.0483 59.3016 29.2785 179.3675 107 L 3.9648 7.9144 118.9670 58.0138 41.7804 179.3250 108 D 4.4610 8.3044 118.9450 57.2351 40.6535 178.9580 109 R 3.8998 7.7420 119.1864 59.3328 30.0903 178.1279 110 C 3.9267 8.1811 116.7759 62.7204 28.1819 175.8031 111 K 3.8177 8.3372 121.3759 59.8372 31.6666 178.9039 112 K 4.0361 7.8915 117.9358 59.1092 31.8187 179.2507 113 L 3.9387 8.0506 120.8486 58.2538 42.0732 179.1626 114 I 3.7366 7.8576 119.8087 64.3859 37.1538 178.3082 115 E 4.0229 8.2813 119.5586 59.0229 29.2217 179.3153 116 K 3.8953 8.3461 119.6426 59.5984 32.1664 178.6019 117 A 4.0279 8.2051 121.1175 55.4058 17.7641 179.6487 118 L 4.3348 8.1745 117.3930 57.9687 41.4783 179.5382 119 S 4.4777 7.9092 111.9761 61.1235 62.4334 175.6159 120 D 4.4611 8.1854 121.1547 56.6227 40.7244 177.4754 121 N 4.4484 7.5051 113.9875 53.0289 39.2238 175.1433 122 F 4.5100 7.3230 124.5686 57.5808 39.9666 174.5109 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 E 8.44 4.27 0.00 1.97 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 2.21 2.24 0.00 4 E 7.88 4.60 0.00 1.94 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 2.02 2.38 0.00 5 K 7.87 4.59 0.00 1.70 1.70 0.00 1.91 0.00 0.00 1.60 0.00 0.00 2.77 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.41 7.81 6 R 8.31 3.57 0.00 2.04 1.23 0.00 3.37 0.00 0.00 3.33 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 7 S 8.90 3.82 0.00 4.03 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 8 S 7.53 4.58 0.00 3.98 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 9 T 7.57 4.47 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 1.22 0.00 0.00 10 G 8.29 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 F 8.44 5.13 0.00 2.88 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 0.00 0.00 0.00 0.00 12 L 8.20 4.45 0.00 1.26 1.10 0.44 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 4.52 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.94 0.00 0.00 14 K 8.26 4.28 0.00 1.82 1.76 0.00 1.73 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.56 1.47 7.81 15 Q 8.60 3.92 0.00 2.12 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.65 2.47 0.00 16 R 8.50 4.15 0.00 1.96 2.07 0.00 3.50 0.00 0.00 3.33 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.77 0.00 17 A 8.04 4.64 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 18 F 8.59 4.18 0.00 3.16 3.28 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 19 L 8.73 4.36 0.00 1.84 1.83 1.07 0.87 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 20 K 8.34 3.98 0.00 2.18 1.75 0.00 1.69 0.00 0.00 1.27 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.39 1.72 7.81 21 L 7.85 4.07 0.00 1.81 1.80 0.88 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 22 Y 7.66 3.87 0.00 3.29 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 23 M 8.34 4.11 0.00 2.01 2.24 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.59 0.00 24 I 8.02 3.91 2.14 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.54 1.17 0.00 0.00 25 T 7.90 4.38 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 26 M 8.45 4.14 0.00 2.06 2.20 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 2.86 2.65 0.00 27 T 7.83 3.72 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 28 E 8.31 4.15 0.00 2.36 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 0.00 2.62 2.97 0.00 29 Q 7.55 4.51 0.00 2.02 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.83 0.00 0.00 0.00 0.00 0.00 2.36 2.57 0.00 30 E 8.02 3.75 0.00 2.11 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 2.17 2.17 0.00 31 R 8.11 4.67 0.00 1.97 2.01 0.00 3.09 0.00 0.00 3.49 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.60 0.00 32 L 7.59 4.41 0.00 1.66 1.60 0.90 0.66 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 33 Y 8.21 4.89 0.00 2.92 2.86 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 34 G 9.40 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 9.14 4.49 0.00 1.74 1.65 0.95 0.62 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 36 K 8.28 4.11 0.00 2.05 2.29 0.00 1.60 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.26 1.11 7.81 37 L 8.13 3.97 0.00 2.25 1.74 0.95 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.95 3.97 0.00 1.82 1.68 0.93 1.03 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 39 E 8.14 4.02 0.00 2.25 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 2.40 2.43 0.00 40 V 7.68 3.72 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 0.87 0.00 0.00 0.94 0.00 0.00 41 L 8.29 4.12 0.00 1.95 1.85 0.99 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 42 R 8.25 3.96 0.00 1.83 1.94 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 43 S 7.70 4.16 0.00 3.98 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 44 E 7.37 3.90 0.00 1.77 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 45 F 7.66 5.06 0.00 3.30 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.33 3.97 0.00 1.85 1.97 0.00 1.48 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.55 7.81 47 E 8.27 4.14 0.00 2.13 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.32 0.00 48 I 7.79 3.86 2.06 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.99 0.98 0.00 0.00 49 G 8.43 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 50 F 8.07 4.71 0.00 2.75 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 51 K 8.28 4.05 0.00 1.65 1.63 0.00 1.83 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.19 1.35 7.81 52 P 0.00 3.95 0.00 1.95 1.93 0.00 3.43 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.46 0.00 53 N 9.41 4.49 0.00 3.02 2.79 0.00 0.00 6.28 8.54 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 54 H 9.00 4.10 0.00 3.18 3.30 0.00 5.66 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 55 T 7.91 4.11 4.32 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 1.26 0.00 0.00 56 E 8.21 4.04 0.00 2.21 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 2.47 2.39 0.00 57 V 7.87 3.60 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 1.02 0.00 0.00 0.99 0.00 0.00 58 Y 7.80 4.08 0.00 3.01 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 59 R 8.20 3.65 0.00 2.33 1.91 0.00 3.24 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 60 S 8.27 4.10 0.00 3.88 3.93 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 61 L 7.67 3.79 0.00 1.74 1.70 0.17 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 62 H 7.79 4.00 0.00 2.91 3.18 0.00 5.87 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 63 E 8.18 3.95 0.00 2.12 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 2.31 2.45 0.00 64 L 8.01 3.96 0.00 1.73 1.62 0.81 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 65 L 7.71 3.99 0.00 1.82 1.67 0.89 1.17 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 66 D 8.50 4.44 0.00 2.60 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 67 D 8.33 4.41 0.00 2.65 2.69 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 68 G 8.29 3.91 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 0.00 0.00 0.00 69 I 7.82 4.04 2.00 0.00 0.00 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 1.34 0.74 1.06 0.00 0.00 70 L 7.95 5.36 0.00 1.54 1.63 0.68 0.56 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 71 K 9.34 4.90 0.00 1.71 1.87 0.00 1.26 0.00 0.00 1.71 0.00 0.00 3.13 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.34 7.81 72 Q 8.57 4.79 0.00 1.74 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.94 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 73 I 8.53 4.19 1.75 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.90 0.86 0.00 0.00 74 K 8.46 4.95 0.00 1.59 1.68 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.89 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.27 1.34 7.81 75 V 8.59 4.42 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 1.02 0.00 0.00 0.92 0.00 0.00 76 K 8.85 4.40 0.00 1.65 1.75 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.44 1.51 7.81 77 K 8.99 4.09 0.00 1.83 1.67 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.82 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.56 7.81 78 E 9.09 4.05 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 79 G 7.91 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 80 A 7.58 4.34 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 81 K 8.49 4.08 0.00 1.88 1.83 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.78 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.40 1.46 7.81 82 L 8.73 3.74 0.00 1.84 1.87 0.92 0.86 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 83 Q 7.58 4.92 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.75 0.00 0.00 0.00 0.00 0.00 2.24 2.30 0.00 84 E 8.41 5.14 0.00 2.01 1.84 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 2.17 2.29 0.00 85 V 8.99 3.82 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 1.02 0.00 0.00 0.92 0.00 0.00 86 V 8.52 4.61 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 0.50 0.00 0.00 0.90 0.00 0.00 87 L 8.62 4.60 0.00 1.62 1.26 0.80 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 88 Y 8.11 4.97 0.00 2.86 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 89 Q 8.64 4.40 0.00 1.88 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 90 F 8.33 4.91 0.00 2.96 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 91 K 9.15 4.19 0.00 1.95 2.10 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 3.21 0.00 0.00 0.00 0.00 1.44 1.41 7.81 92 D 7.83 4.77 0.00 2.89 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.25 3.76 0.00 2.81 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 94 E 8.08 3.70 0.00 2.09 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 2.36 2.28 0.00 95 A 8.30 3.91 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 96 A 7.87 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 97 K 7.93 3.66 0.00 1.42 1.57 0.00 1.30 0.00 0.00 0.61 0.00 0.00 2.71 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.17 1.04 7.81 98 L 7.87 3.85 0.00 1.98 1.70 0.91 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 99 Y 8.06 4.09 0.00 3.03 3.11 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 0.00 100 K 7.92 3.96 0.00 1.90 1.82 0.00 1.85 0.00 0.00 1.63 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.63 7.81 101 K 7.87 3.95 0.00 1.89 1.98 0.00 1.59 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.44 7.81 102 Q 8.55 3.98 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.58 0.00 0.00 0.00 0.00 0.00 2.33 2.47 0.00 103 L 7.80 4.03 0.00 1.59 1.56 0.85 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 104 K 7.85 3.94 0.00 1.81 1.75 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.40 7.81 105 V 7.64 3.55 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 1.06 0.00 0.00 0.89 0.00 0.00 106 E 7.77 3.95 0.00 2.16 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 2.42 2.41 0.00 107 L 7.91 3.96 0.00 1.84 1.72 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 108 D 8.30 4.46 0.00 2.66 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 0.00 109 R 7.74 3.90 0.00 1.94 2.05 0.00 3.11 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 110 C 8.18 3.93 0.00 3.15 2.87 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 0.00 111 K 8.34 3.82 0.00 1.77 1.99 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.54 1.50 7.81 112 K 7.89 4.04 0.00 1.97 1.84 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.68 7.81 113 L 8.05 3.94 0.00 1.93 1.70 0.97 0.81 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 0.00 114 I 7.86 3.74 1.85 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.94 0.90 0.00 0.00 115 E 8.28 4.02 0.00 2.24 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 2.34 2.33 0.00 116 K 8.35 3.90 0.00 1.99 1.98 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.58 1.47 7.81 117 A 8.21 4.03 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 0.00 118 L 8.17 4.33 0.00 1.99 1.83 0.97 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 119 S 7.91 4.48 0.00 4.05 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 0.00 120 D 8.19 4.46 0.00 2.73 2.65 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 0.00 121 N 7.51 4.45 0.00 1.83 1.98 0.00 0.00 6.74 7.46 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 0.00 122 F 7.32 4.51 0.00 3.17 2.87 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