NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3624 8.3001 118.1956 54.5666 32.5875 175.4263 2 A 4.0108 8.1912 121.8752 51.1853 20.3898 177.1597 3 L 3.9116 8.5848 122.4834 58.2083 42.6017 177.4444 4 L 4.0998 7.8045 121.2044 57.5958 42.0403 178.8177 5 Q 4.0234 8.0274 117.5387 58.9183 28.8567 178.8435 6 K 4.0292 7.8593 119.7408 59.6493 31.6010 179.5762 7 T 4.0301 8.4251 110.5688 64.9616 68.5265 176.7063 8 R 4.0067 8.2054 120.8472 59.0033 30.1508 179.0923 9 I 3.7284 7.8046 119.6205 64.3644 37.0670 178.4893 10 I 3.7047 7.6915 120.2009 64.5067 36.8891 178.2113 11 N 4.4022 8.6539 117.6416 56.5367 38.2581 177.5410 12 S 4.1171 8.4715 116.8929 61.7698 62.8393 176.5065 13 M 3.9900 7.9089 120.2342 58.7799 32.1645 178.3465 14 L 3.9548 8.0849 119.1760 57.8600 41.5104 179.5833 15 Q 4.0542 8.2487 117.4351 58.7830 28.6993 178.1834 16 A 4.1672 7.6783 120.7050 54.7136 18.8233 179.2689 17 A 3.9567 8.3452 118.9922 53.5829 18.4821 177.2746 18 A 4.3800 6.9986 119.3544 51.3678 20.0987 177.7410 19 G 4.1399 8.1559 109.6626 44.9393 0.0000 174.4129 20 K 4.1698 7.4373 118.3847 54.6666 32.9888 175.9210 21 P 4.1690 0.0000 0.0000 62.8866 31.3743 176.3778 22 V 3.2934 8.1433 120.2312 63.4424 32.0056 175.7712 23 N 4.6597 8.0555 124.0880 51.4114 40.0600 174.5372 24 F 4.5384 8.1440 126.8847 59.7038 39.1858 177.2729 25 K 3.8310 8.1119 119.3252 59.4296 32.0320 178.2777 26 E 3.8831 8.6440 119.7296 59.4827 29.5426 178.7317 27 M 4.0244 8.0095 118.1585 58.2451 31.9394 178.5802 28 A 3.9618 8.2448 121.1205 55.1837 18.4638 179.5757 29 E 3.9294 8.3449 118.7431 59.2134 29.5099 179.6883 30 T 3.8342 7.9910 115.7414 66.7377 68.4870 176.7115 31 L 3.9993 8.0023 120.8266 57.6204 41.5917 179.4349 32 R 4.1009 8.1536 120.3238 59.0099 29.7724 178.2641 33 D 4.3511 8.1230 117.4651 57.3560 40.9253 178.6468 34 V 4.0106 7.6760 110.9414 62.7965 32.1054 177.6844 35 I 4.1449 8.0994 117.9276 60.0547 38.7705 174.7457 36 D 4.4462 8.1341 118.9125 54.4783 39.3913 172.2542 37 S 4.8219 7.1867 113.2314 56.8308 67.4902 175.0378 38 N 4.5847 9.1140 119.0251 53.8566 39.7650 174.2097 39 I 4.9336 8.2916 122.3575 59.5561 41.3368 174.3395 40 F 5.1533 9.2176 125.3765 55.6104 42.7047 174.1481 41 V 4.4268 8.9240 124.4444 61.3792 33.1036 174.2939 42 V 4.7111 8.5519 129.5596 60.6775 33.9556 175.8008 43 S 4.5517 8.9269 123.0993 57.6014 63.8599 175.1746 44 R 3.8398 8.6025 119.4257 59.1750 29.7256 178.1981 45 R 4.5340 8.1685 113.6201 55.9668 30.5175 177.0038 46 G 3.9959 8.1166 107.2084 44.7786 0.0000 174.0767 47 K 4.2730 7.9647 122.2445 56.3284 32.5743 175.8796 48 L 4.5062 8.2492 127.1726 53.9253 40.4663 176.6387 49 L 4.1248 8.8417 125.8834 57.5855 42.2279 177.8432 50 G 4.2928 7.8573 102.6497 46.0442 0.0000 172.0110 51 Y 5.3032 8.0499 117.9898 56.1810 40.8826 174.0169 52 S 4.3894 8.9564 115.1287 57.3194 66.0812 172.6600 53 I 4.4946 8.4939 128.2745 60.3294 37.7281 175.2464 54 N 4.6460 9.7204 125.3594 53.9244 39.8350 175.0110 55 Q 4.6490 7.9801 115.1450 53.6274 31.0363 174.9962 56 Q 4.0002 8.8578 120.9044 56.6095 29.2871 176.4250 57 I 4.2991 8.2959 122.3851 60.4183 38.3253 176.6978 58 E 4.7057 8.6979 127.9141 54.6227 29.2243 177.1009 59 N 4.8617 7.5170 117.0885 51.3938 42.5592 173.2756 60 D 4.3469 8.8380 128.6189 57.4933 41.0870 178.6453 61 R 3.8320 7.9811 118.7473 59.5406 30.1801 178.1547 62 M 3.8797 8.7705 118.4896 58.4628 32.2814 178.0848 63 K 3.9512 8.3599 120.1254 59.3351 32.2887 178.8453 64 K 3.9549 8.3257 119.1026 59.7780 31.9972 179.0393 65 M 4.2034 7.8287 118.3571 58.3621 31.8595 178.8842 66 L 3.7077 7.7095 118.4340 57.7393 41.5975 179.2407 67 E 4.0273 7.8860 116.9310 59.7962 29.6049 179.1989 68 D 4.4361 8.4847 116.9426 54.8309 41.4634 176.4206 69 R 3.8408 8.1121 118.2117 56.3091 28.1854 175.8057 70 Q 4.8840 8.1734 116.9240 55.3062 32.4461 174.1942 71 F 5.0216 9.1214 126.0588 55.8278 40.7757 174.0571 72 P 4.4080 0.0000 0.0000 62.8204 32.1705 177.5523 73 E 3.9757 9.0970 122.6235 59.7566 29.5242 179.4575 74 E 3.9366 8.1325 118.5981 59.3747 29.6248 177.7264 75 Y 4.0416 8.0553 117.8185 61.2579 38.9537 177.9910 76 T 4.0338 8.3312 116.4883 66.6655 68.2434 176.8581 77 K 4.2604 8.5125 120.7599 59.6741 32.0626 178.9933 78 N 4.5574 8.2843 116.1907 55.5665 38.4677 177.3314 79 L 3.8445 7.5540 121.1201 57.6456 41.3615 179.2508 80 F 4.2524 7.5730 116.5364 60.3046 38.8838 176.6530 81 N 4.8636 8.2389 114.2373 53.4254 38.5234 174.9699 82 V 4.0659 7.3774 121.2480 60.3798 31.6133 173.2414 83 P 4.4522 0.0000 0.0000 64.0823 31.9141 175.6801 84 E 4.7374 7.6020 116.2235 53.8393 33.3752 175.0146 85 T 4.0904 8.3863 116.2492 64.7097 69.1398 173.9604 86 S 4.5802 9.0858 120.3028 56.6927 65.2223 172.8841 87 S 4.8426 8.7098 121.5559 56.6625 65.6618 172.9634 88 N 4.4137 8.2632 115.1359 54.4107 36.5152 174.9233 89 L 4.2711 8.3956 118.9175 54.3922 42.6355 177.6151 90 D 5.3333 8.4743 123.3680 51.9324 41.3369 176.7389 91 I 3.8155 8.2382 118.1764 63.8729 37.8978 176.2087 92 N 4.6406 8.2992 115.7262 53.7551 39.1139 175.4153 93 S 4.3035 8.1510 115.1653 57.5984 62.9964 174.7558 94 E 3.9146 8.5981 124.9558 59.2272 29.2101 177.2383 95 Y 4.4927 7.5394 115.1436 58.0436 38.3337 175.6436 96 T 4.0081 7.7912 115.3328 62.6466 67.7583 173.4707 97 A 4.0483 8.6904 129.7184 52.1497 19.1996 177.2868 98 F 4.3753 7.4860 115.6460 54.9757 40.6337 174.0623 99 P 4.3432 0.0000 0.0000 62.5045 31.8244 177.9993 100 V 3.7057 8.4571 116.5669 64.0349 31.7131 177.8988 101 E 4.1414 8.1899 116.2700 58.0688 29.9432 176.9129 102 N 4.9875 8.1452 118.0474 52.7236 39.3354 176.9376 103 R 4.0192 7.7279 120.4781 59.7450 30.5132 178.4071 104 D 4.4278 8.0720 116.2874 57.2816 41.0522 177.4806 105 L 3.8768 7.7217 119.1326 57.2920 42.2675 177.1292 106 F 5.0117 7.7786 117.4777 56.7799 39.4450 177.9236 107 Q 3.8889 8.2890 120.9603 59.0812 28.4538 176.7846 108 A 4.4553 7.8458 118.0771 51.5035 20.2041 177.1093 109 G 3.1781 7.8789 105.1906 46.1098 0.0000 173.6913 110 L 5.4095 9.6404 124.5776 53.2562 45.7215 175.7170 111 T 5.3920 9.2179 118.5446 62.1991 72.7922 172.9386 112 T 4.9016 9.0663 122.2618 61.6961 71.9175 172.8778 113 I 4.5200 8.6087 127.3678 59.4968 39.8134 174.8316 114 V 4.4258 8.5749 127.5527 60.0315 33.6049 172.7070 115 P 4.4251 0.0000 0.0000 63.3839 32.1454 175.9030 116 I 4.3392 8.6371 125.3635 60.1046 38.6095 174.9026 117 I 5.1148 8.3799 127.1989 59.7586 40.4037 175.8698 118 G 4.1489 9.3609 110.3800 44.4305 0.0000 172.7493 119 G 4.7559 8.8452 125.0249 46.4051 0.0000 174.1737 120 G 3.9042 7.9680 105.3935 45.4036 0.0000 173.0569 121 E 4.6008 7.4754 119.4879 53.9693 31.8452 175.3530 122 R 4.3688 8.6414 123.6629 56.4926 29.9908 175.9026 123 L 4.4606 9.3360 126.2161 54.0354 42.9223 177.3867 124 G 3.8197 6.7530 104.3661 46.1724 0.0000 170.5257 125 T 4.9162 8.0477 115.4045 61.8323 73.3325 172.9560 126 L 4.9401 8.9841 128.5520 53.8325 43.7859 174.9309 127 I 4.9888 8.9546 127.8758 59.5546 40.0323 174.6495 128 L 5.7466 9.0374 126.3040 52.2044 44.9458 175.7162 129 S 5.5740 8.5312 116.2149 57.4126 66.8600 172.8078 130 R 5.0728 9.2706 117.2992 55.9053 33.1996 173.0521 131 L 4.6373 8.5474 119.3794 54.9589 42.3594 176.4549 132 Q 4.0298 9.1778 129.6409 56.5630 29.4635 173.3676 133 D 4.5742 7.6504 117.7492 52.8388 40.9206 176.2841 134 Q 4.0882 8.5105 123.7781 55.9013 29.3230 176.9508 135 F 4.4387 8.7852 121.0839 57.5203 39.8067 174.3307 136 N 5.2304 9.0050 121.8023 50.6632 40.1792 174.6608 137 D 4.4050 8.7716 116.5720 58.0078 40.6987 178.6924 138 D 4.3754 8.1872 118.7036 57.4903 40.9025 178.3600 139 D 4.4940 8.6462 119.3892 57.4549 40.8240 178.9305 140 L 4.0478 8.0663 119.4841 57.6461 41.5932 179.3665 141 I 3.7034 8.0290 120.0518 64.6398 37.0755 178.4613 142 L 4.1218 8.0934 119.2591 57.7037 41.4408 179.4750 143 A 3.9904 8.5443 121.1256 55.3705 18.3402 179.6393 144 E 4.0525 8.6881 117.5591 59.3651 29.4047 178.9951 145 Y 4.4084 8.2231 119.9166 60.7172 38.9072 178.0713 146 G 3.5551 8.2962 106.5291 47.9282 0.0000 175.3137 147 A 3.9663 8.4148 123.9111 54.9750 18.3462 179.9142 148 T 3.8198 8.1000 114.1652 66.9792 68.5280 177.4645 149 V 3.6128 7.9420 114.4759 64.2377 31.4467 178.6006 150 V 3.8013 8.4676 118.5879 66.2060 31.1603 178.1702 151 G 3.5846 8.4499 105.5776 48.1193 0.0000 175.5286 152 M 4.0793 7.8983 119.8822 58.4191 32.1901 178.6734 153 E 4.1346 8.8366 117.7928 58.8925 29.5937 179.2847 154 I 4.2534 8.5524 120.8284 64.4433 37.3373 176.5101 155 L 4.3381 7.5868 122.5403 55.0373 41.6258 176.8327 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 4.36 0.00 2.15 2.15 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 2.48 2.56 0.00 2 A 8.19 4.01 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 0.00 0.00 0.00 0.00 0.00 3 L 8.58 3.91 0.00 1.78 1.68 0.95 0.49 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 4 L 7.80 4.10 0.00 1.79 1.65 0.92 0.96 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 5 Q 8.03 4.02 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.69 0.00 0.00 0.00 0.00 0.00 2.46 2.46 0.00 6 K 7.86 4.03 0.00 1.96 1.89 0.00 1.70 0.00 0.00 1.87 0.00 0.00 3.01 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.59 7.81 7 T 8.43 4.03 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 1.25 0.00 0.00 8 R 8.21 4.01 0.00 2.16 2.04 0.00 3.14 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.77 0.00 9 I 7.80 3.73 2.06 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 1.53 1.16 0.92 0.00 0.00 10 I 7.69 3.70 2.16 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.75 0.69 0.00 0.00 11 N 8.65 4.40 0.00 2.95 2.92 0.00 0.00 7.08 7.15 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 12 S 8.47 4.12 0.00 4.06 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 13 M 7.91 3.99 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.82 0.00 14 L 8.08 3.95 0.00 1.87 1.69 0.75 0.75 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 15 Q 8.25 4.05 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 7.00 0.00 0.00 0.00 0.00 0.00 2.41 2.50 0.00 16 A 7.68 4.17 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 17 A 8.35 3.96 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 18 A 7.00 4.38 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 19 G 8.16 4.14 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 0.00 0.00 0.00 20 K 7.44 4.17 0.00 1.82 1.71 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.14 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.39 7.81 21 P 0.00 4.17 0.00 2.10 2.03 0.00 3.74 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.94 0.00 22 V 8.14 3.29 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.83 0.00 0.00 23 N 8.06 4.66 0.00 2.63 2.68 0.00 0.00 7.24 7.71 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 24 F 8.14 4.54 0.00 3.22 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 25 K 8.11 3.83 0.00 1.74 1.92 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.79 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.33 7.81 26 E 8.64 3.88 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.31 0.00 27 M 8.01 4.02 0.00 2.15 2.19 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.53 0.00 28 A 8.24 3.96 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 29 E 8.34 3.93 0.00 2.09 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 0.00 2.25 2.33 0.00 30 T 7.99 3.83 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 1.20 0.00 0.00 31 L 8.00 4.00 0.00 1.81 1.71 0.89 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 32 R 8.15 4.10 0.00 1.87 2.08 0.00 3.19 0.00 0.00 3.23 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.76 0.00 33 D 8.12 4.35 0.00 2.85 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.68 4.01 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 0.80 0.00 0.00 1.05 0.00 0.00 35 I 8.10 4.14 2.03 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.68 1.13 0.00 0.00 36 D 8.13 4.45 0.00 2.76 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 37 S 7.19 4.82 0.00 4.30 4.10 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 38 N 9.11 4.58 0.00 2.63 2.40 0.00 0.00 7.04 7.84 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 39 I 8.29 4.93 1.73 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 1.31 1.32 0.85 0.00 0.00 40 F 9.22 5.15 0.00 2.93 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 41 V 8.92 4.43 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 0.64 0.00 0.00 0.85 0.00 0.00 42 V 8.55 4.71 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 0.67 0.00 0.00 0.76 0.00 0.00 43 S 8.93 4.55 0.00 3.98 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 44 R 8.60 3.84 0.00 1.93 2.37 0.00 3.48 0.00 0.00 3.31 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.83 0.00 45 R 8.17 4.53 0.00 1.82 1.96 0.00 3.22 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 46 G 8.12 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 47 K 7.96 4.27 0.00 1.81 1.66 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.41 7.81 48 L 8.25 4.51 0.00 1.55 1.67 0.69 0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 49 L 8.84 4.12 0.00 1.11 1.37 0.54 1.04 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 50 G 7.86 4.29 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 0.00 51 Y 8.05 5.30 0.00 2.92 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 52 S 8.96 4.39 0.00 3.73 3.68 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 0.00 0.00 0.00 0.00 53 I 8.49 4.49 1.96 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.14 1.02 0.00 0.00 54 N 9.72 4.65 0.00 2.72 2.92 0.00 0.00 7.00 7.09 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 55 Q 7.98 4.65 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.62 0.00 0.00 0.00 0.00 0.00 2.44 2.42 0.00 56 Q 8.86 4.00 0.00 2.13 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.87 0.00 0.00 0.00 0.00 0.00 2.42 2.46 0.00 57 I 8.30 4.30 1.91 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 1.47 0.83 1.01 0.00 0.00 58 E 8.70 4.71 0.00 2.01 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 2.31 2.27 0.00 59 N 7.52 4.86 0.00 2.82 2.68 0.00 0.00 7.06 8.49 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 60 D 8.84 4.35 0.00 2.73 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 61 R 7.98 3.83 0.00 1.85 2.08 0.00 3.12 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 62 M 8.77 3.88 0.00 2.19 1.93 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 63 K 8.36 3.95 0.00 2.06 1.80 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.46 1.55 7.81 64 K 8.33 3.95 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.62 7.81 65 M 7.83 4.20 0.00 2.29 2.20 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.54 0.00 66 L 7.71 3.71 0.00 1.77 1.44 0.85 0.59 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 67 E 7.89 4.03 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 68 D 8.48 4.44 0.00 2.67 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 R 8.11 3.84 0.00 2.02 2.01 0.00 3.45 0.00 0.00 3.44 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 70 Q 8.17 4.88 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.54 6.85 0.00 0.00 0.00 0.00 0.00 2.31 2.43 0.00 71 F 9.12 5.02 0.00 2.89 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 72 P 0.00 4.41 0.00 2.09 1.94 0.00 3.38 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 73 E 9.10 3.98 0.00 2.04 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 0.00 2.44 2.41 0.00 74 E 8.13 3.94 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 2.39 2.61 0.00 75 Y 8.06 4.04 0.00 2.89 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 76 T 8.33 4.03 4.49 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 0.00 0.00 0.00 1.25 0.00 0.00 77 K 8.51 4.26 0.00 1.99 1.97 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.57 1.72 7.81 78 N 8.28 4.56 0.00 2.87 2.91 0.00 0.00 6.98 6.82 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 79 L 7.55 3.84 0.00 1.40 1.43 0.81 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 80 F 7.57 4.25 0.00 3.16 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 N 8.24 4.86 0.00 3.01 2.97 0.00 0.00 6.77 7.22 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 82 V 7.38 4.07 1.86 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 0.60 0.00 0.00 0.05 0.00 0.00 83 P 0.00 4.45 0.00 2.21 2.16 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 84 E 7.60 4.74 0.00 1.89 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 2.18 2.27 0.00 85 T 8.39 4.09 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 1.14 0.00 0.00 86 S 9.09 4.58 0.00 3.73 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 87 S 8.71 4.84 0.00 3.87 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 N 8.26 4.41 0.00 2.94 3.06 0.00 0.00 7.00 8.31 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 89 L 8.40 4.27 0.00 1.87 1.73 0.98 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 90 D 8.47 5.33 0.00 2.94 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 91 I 8.24 3.82 1.98 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 1.61 0.74 0.92 0.00 0.00 92 N 8.30 4.64 0.00 2.92 2.86 0.00 0.00 6.94 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.15 4.30 0.00 3.97 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 94 E 8.60 3.91 0.00 1.82 1.86 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 1.57 1.47 0.00 95 Y 7.54 4.49 0.00 3.07 2.99 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 96 T 7.79 4.01 4.60 0.00 0.00 0.00 0.00 0.00 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 97 A 8.69 4.05 1.03 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 98 F 7.49 4.38 0.00 2.96 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 99 P 0.00 4.34 0.00 2.36 2.15 0.00 3.55 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.09 0.00 100 V 8.46 3.71 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 0.82 0.00 0.00 0.91 0.00 0.00 101 E 8.19 4.14 0.00 2.07 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 2.30 2.28 0.00 102 N 8.15 4.99 0.00 3.15 2.63 0.00 0.00 6.81 7.20 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 0.00 103 R 7.73 4.02 0.00 1.76 2.03 0.00 3.18 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 104 D 8.07 4.43 0.00 2.59 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 L 7.72 3.88 0.00 1.25 1.15 0.72 0.22 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 0.00 106 F 7.78 5.01 0.00 3.12 2.41 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 0.00 107 Q 8.29 3.89 0.00 2.13 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.28 2.34 0.00 108 A 7.85 4.46 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 0.00 109 G 7.88 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 0.00 0.00 0.00 110 L 9.64 5.41 0.00 1.85 1.83 1.05 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 111 T 9.22 5.39 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 1.38 0.00 0.00 112 T 9.07 4.90 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 113 I 8.61 4.52 1.68 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 1.05 0.75 0.71 0.00 0.00 114 V 8.57 4.43 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 0.98 0.00 0.00 0.84 0.00 0.00 115 P 0.00 4.43 0.00 1.92 1.94 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.15 0.00 116 I 8.64 4.34 1.81 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.55 0.89 0.00 0.00 117 I 8.38 5.11 1.87 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 1.28 0.59 0.96 0.00 0.00 118 G 9.36 4.15 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 0.00 0.00 0.00 0.00 0.00 0.00 119 G 8.85 4.76 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 0.00 0.00 0.00 120 G 7.97 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 E 7.48 4.60 0.00 1.89 1.86 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 2.23 2.40 0.00 122 R 8.64 4.37 0.00 1.85 2.06 0.00 3.40 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.72 0.00 123 L 9.34 4.46 0.00 1.59 1.68 0.93 0.92 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 0.00 124 G 6.75 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 0.00 0.00 0.00 0.00 125 T 8.05 4.92 4.14 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 1.16 0.00 0.00 126 L 8.98 4.94 0.00 1.67 1.61 0.88 0.75 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 0.00 127 I 8.95 4.99 2.21 0.00 0.00 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 1.30 0.74 1.09 0.00 0.00 128 L 9.04 5.75 0.00 1.28 1.59 0.85 0.55 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 0.00 129 S 8.53 5.57 0.00 3.69 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 0.00 130 R 9.27 5.07 0.00 1.91 2.12 0.00 2.67 0.00 0.00 2.93 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.41 0.00 131 L 8.55 4.64 0.00 1.58 1.64 1.10 0.79 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 0.00 132 Q 9.18 4.03 0.00 2.14 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.87 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 133 D 7.65 4.57 0.00 2.56 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 0.00 0.00 0.00 0.00 134 Q 8.51 4.09 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 135 F 8.79 4.44 0.00 3.06 2.99 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 0.00 136 N 9.00 5.23 0.00 2.95 2.97 0.00 0.00 6.82 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 0.00 137 D 8.77 4.41 0.00 2.76 2.79 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 0.00 0.00 0.00 0.00 138 D 8.19 4.38 0.00 2.89 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.65 4.49 0.00 3.08 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 0.00 140 L 8.07 4.05 0.00 1.90 1.73 0.88 0.91 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 0.00 141 I 8.03 3.70 2.06 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 1.52 0.69 0.90 0.00 0.00 142 L 8.09 4.12 0.00 1.92 1.79 0.98 0.61 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 0.00 143 A 8.54 3.99 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 E 8.69 4.05 0.00 2.11 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 0.00 2.32 2.44 0.00 145 Y 8.22 4.41 0.00 3.08 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 0.00 146 G 8.30 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 147 A 8.41 3.97 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 0.00 148 T 8.10 3.82 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 1.27 0.00 0.00 149 V 7.94 3.61 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 0.70 0.00 0.00 0.70 0.00 0.00 150 V 8.47 3.80 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.99 0.00 0.00 151 G 8.45 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 M 7.90 4.08 0.00 2.03 2.29 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 2.81 2.60 0.00 153 E 8.84 4.13 0.00 2.05 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 2.47 2.47 0.00 154 I 8.55 4.25 2.12 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 1.41 0.53 0.94 0.00 0.00 155 L 7.59 4.34 0.00 1.71 1.60 1.10 1.26 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