NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.4201 8.1133 119.6501 56.1472 31.6448 173.8681 4 R 4.6376 8.3774 123.6576 54.6928 32.2415 170.8033 5 V 4.9150 9.5291 124.3840 61.1602 35.1355 173.8391 6 A 4.9224 9.0310 131.1687 51.7339 19.9439 175.8677 7 I 5.0320 8.9076 123.1937 59.5152 40.4006 175.1515 8 G 4.6417 9.2676 113.0729 44.9212 0.0000 171.2765 9 T 5.7041 8.3414 110.7391 59.5704 72.5890 172.1965 10 D 4.8467 8.2205 120.9090 52.4904 42.2180 175.8609 11 H 4.3366 8.9438 113.6717 59.0472 28.6405 175.4267 12 P 4.2484 0.0000 0.0000 64.9285 31.3158 178.1842 13 A 4.2157 8.1150 117.7624 53.7348 18.2566 179.0116 14 F 4.1594 8.0732 119.2753 61.0816 39.1086 176.6483 15 A 3.9083 7.7252 119.6632 54.0791 18.2673 178.0747 16 I 4.2306 7.2687 109.1740 60.8051 38.3073 177.2862 17 H 4.0713 7.7930 120.5958 59.2889 28.1173 177.3049 18 E 3.6268 7.2988 120.6219 58.6649 29.1956 178.7653 19 N 3.6915 7.5521 116.2449 56.1153 38.6377 177.1813 20 L 3.8443 7.5035 120.1399 57.6409 41.5804 179.6512 21 I 3.6544 7.3288 119.2744 64.2499 37.0481 178.2232 22 L 3.8909 7.4792 120.8891 58.4685 41.6981 178.6540 23 Y 4.3784 7.6487 115.8481 60.9671 37.8835 178.3354 24 V 3.7156 7.9976 119.3134 66.0042 31.6571 178.2860 25 K 4.0934 7.9500 117.8675 59.5936 31.7047 179.1759 26 E 4.0596 8.2995 117.4598 59.1527 29.3999 178.9236 27 A 4.2027 7.6655 119.9188 52.2125 18.9094 176.9274 28 G 4.5754 7.3452 107.6420 44.4409 0.0000 173.6317 29 D 4.4592 8.4805 122.3907 57.1499 40.6691 178.3190 30 E 3.9364 8.0470 116.2845 58.4121 29.8636 176.0761 31 F 5.0812 7.8018 119.4234 56.8662 39.8675 175.4515 32 V 4.4839 8.9719 125.3391 60.2314 33.3674 172.8980 33 P 4.9839 0.0000 0.0000 62.7956 32.4989 176.2159 34 V 4.3402 9.1278 123.2898 61.1635 33.8125 173.4428 35 Y 4.7256 8.6222 130.3381 57.4545 39.7061 174.9569 36 C 4.7273 8.9076 123.0606 59.4643 30.1521 174.9845 37 G 3.6241 5.3800 108.0122 42.9767 0.0000 171.8310 38 P 4.3710 0.0000 0.0000 62.4532 31.7172 177.0157 39 K 4.3281 8.5284 120.9139 57.9561 32.5250 176.2996 40 T 4.1897 7.0367 106.6570 59.2642 71.6250 173.2485 41 A 4.0339 7.9741 122.1795 52.1875 18.9282 177.6416 42 E 4.0988 7.5425 114.0556 55.7358 30.2903 177.0448 43 S 3.6361 8.3229 116.9257 58.7383 63.2614 174.1269 44 V 4.5767 7.6157 116.8731 59.8719 35.9460 174.0077 45 D 4.9622 8.4432 120.1666 52.6108 42.4668 177.0576 46 Y 4.4091 8.8578 123.4596 60.3099 37.5005 177.1434 47 P 4.2501 0.0000 0.0000 65.0959 31.3278 178.3195 48 D 4.1792 7.9219 117.8988 57.4731 40.7384 178.8224 49 F 4.1080 8.1753 117.4750 60.0147 38.9638 177.4080 50 A 4.0513 8.4619 120.9284 55.4623 18.1200 179.5865 51 S 4.0085 8.3214 111.6436 61.4149 62.4748 176.2279 52 R 3.8011 7.8709 121.2976 59.4879 29.8770 178.5878 53 V 3.5937 7.7974 117.6314 65.9729 31.4763 177.7645 54 A 4.0218 8.3131 120.7285 55.3248 18.1582 179.4025 55 E 3.9157 8.4422 117.2461 59.7936 29.4636 179.5035 56 M 4.0401 7.9124 118.2033 58.3440 32.1016 178.9878 57 V 3.8073 8.1113 119.3476 65.5163 31.5449 177.8435 58 A 4.0042 8.0541 119.4233 55.3686 18.3233 179.5747 59 R 3.9900 8.1206 115.1258 57.1129 30.1146 177.6603 60 K 3.9719 7.6325 116.6379 57.0636 29.8060 177.1091 61 E 4.1325 8.3562 122.6391 58.3926 29.9378 177.2325 62 V 4.6031 7.3018 109.8837 59.2001 35.6880 175.7088 63 E 3.9561 8.8018 123.0461 58.6767 30.2041 176.6064 64 F 5.5167 8.4601 116.2851 55.7118 43.9179 174.3123 65 G 4.6672 9.4965 107.3252 44.5181 0.0000 171.8741 66 V 4.9419 9.1322 120.9891 60.7680 34.7839 174.3052 67 L 5.3732 9.1727 127.2560 52.9020 45.5705 175.3244 68 A 5.4956 9.0442 124.7761 49.5768 22.5187 174.9812 69 C 4.9119 8.2388 114.5489 57.6041 32.6858 173.6556 70 G 3.8826 9.1236 105.1082 49.7492 0.0000 175.7310 71 S 4.4950 8.2217 112.8583 56.7523 64.8349 175.2647 72 G 3.9412 8.1132 109.2372 46.0950 0.0000 175.6278 73 I 3.6949 7.5748 120.8232 64.4422 37.0530 178.4199 74 G 3.1196 7.6238 105.9775 47.7693 0.0000 175.1832 75 M 4.1492 7.7543 120.7621 58.4620 31.8633 178.9621 76 S 4.1908 8.0024 114.0057 61.2017 62.9148 176.6886 77 I 3.7566 7.5938 122.5810 64.1956 37.3359 177.8296 78 A 4.1755 8.3606 121.5306 55.1944 18.2699 179.4291 79 A 3.9927 8.1655 119.2663 55.4984 18.3044 179.3726 80 N 4.5252 7.7469 112.6722 55.2867 38.6651 177.1435 81 K 4.2558 7.7424 119.3265 57.0753 32.4911 176.9442 82 V 3.9534 7.4031 120.7611 60.8294 31.8999 173.5115 83 P 4.6197 0.0000 0.0000 64.4032 31.5855 176.7756 84 G 3.9495 9.4631 111.6382 45.0628 0.0000 173.5905 85 V 4.2051 7.2656 119.3791 61.8939 32.6209 175.7386 86 R 4.6911 9.3952 125.4184 54.3897 32.3541 173.0748 87 A 5.1474 9.4617 125.7438 50.1484 20.7690 175.8399 88 A 4.5951 9.0417 125.4909 49.7944 21.3691 175.4894 89 L 4.4856 8.6426 125.5247 55.7755 42.4515 175.7986 90 C 5.1079 8.6873 124.6039 58.2362 30.5900 173.9411 91 H 4.8646 8.6374 115.4483 54.5297 29.5557 172.7816 92 D 4.5230 7.3494 119.3785 51.8581 42.8948 175.1868 93 H 4.0100 8.7250 117.9504 59.6499 29.6016 176.1241 94 Y 3.9907 8.1067 120.8729 61.0197 38.7076 178.1078 95 T 3.8035 8.6547 110.7416 64.5611 68.4751 176.1893 96 A 4.0376 7.9413 123.3565 54.8737 18.4330 179.3595 97 A 3.7013 7.8813 119.1299 55.7617 18.5013 179.8923 98 M 3.7357 7.8631 117.4454 58.2158 31.8024 179.1172 99 S 4.2961 8.1811 114.6123 61.2967 62.9430 176.9861 100 R 3.7999 7.4240 121.1514 58.9686 29.4914 178.8742 101 I 3.7142 7.6993 119.4905 64.6292 36.8819 178.1912 102 H 4.1567 8.2930 115.6405 58.0170 29.0783 176.2597 103 N 4.6584 8.0305 113.6188 52.2422 39.3678 174.0096 104 D 4.1212 8.0314 116.4080 54.2123 39.6926 173.4610 105 A 4.2675 8.0419 120.1506 52.7746 19.1292 177.8118 106 N 5.3149 9.0450 118.0776 52.9029 39.7525 174.3979 107 I 5.2793 8.0020 120.8850 59.4701 41.3682 174.3048 108 V 4.3014 8.1344 126.1098 59.9002 33.5933 174.3439 109 C 5.3459 8.8035 122.5412 58.0030 31.2009 173.4267 110 V 4.7013 8.7495 115.4548 59.5193 36.2393 174.9675 111 G 4.1345 8.3624 110.1485 43.9053 0.0000 174.2741 112 E 4.0431 9.4862 129.1402 58.4939 29.8486 177.9476 113 R 4.3245 8.0438 116.3486 56.8221 30.4217 176.9221 114 T 4.3926 7.7034 107.5841 61.9069 70.5775 174.3393 115 T 4.7734 7.8658 118.3819 60.7915 70.9992 174.8864 116 G 3.8028 8.4604 112.5453 44.6284 0.0000 174.8702 117 V 3.6970 8.3140 115.3291 64.4164 31.6336 178.9094 118 E 3.9744 8.0930 117.8215 59.1157 29.2715 179.3532 119 V 3.5917 7.6271 118.0386 65.6397 31.6579 177.8105 120 I 3.6266 7.9571 120.0207 64.3537 36.9981 178.0226 121 R 2.8831 7.8687 119.6459 59.1784 29.6528 177.8767 122 E 3.8298 7.7960 118.7561 59.3825 29.4798 178.7986 123 I 3.6432 7.9956 119.9522 64.5685 37.2170 178.5578 124 I 3.6371 7.8206 120.5461 64.2889 36.8652 178.5907 125 I 3.5623 7.6779 120.5853 64.6761 36.9259 178.5958 126 T 3.7644 7.9654 116.5627 66.4691 68.0321 176.2897 127 F 3.9159 8.0749 121.4694 61.4710 39.4755 176.9459 128 L 3.3731 7.4637 116.9503 57.5127 41.3404 179.1559 129 Q 4.3067 7.8618 117.1626 57.4638 28.8603 176.7582 130 T 4.0996 7.4054 117.7691 62.2785 68.8747 172.8130 131 P 4.6511 0.0000 0.0000 61.4775 32.0188 175.6740 132 F 5.0301 8.8318 121.5391 57.6602 39.9481 176.5314 133 S 3.9515 7.8146 121.7608 59.3785 62.9031 175.8864 134 G 3.4715 5.3800 103.9688 45.2269 0.0000 174.0740 135 E 3.8983 7.3277 119.8496 56.4138 31.3548 177.1919 136 E 3.9166 8.7860 123.5230 59.6889 29.6874 179.5708 137 R 3.9440 7.8846 115.3152 59.6889 29.3419 178.2977 138 H 4.3477 7.9914 116.4057 58.5242 28.8683 177.5208 139 V 3.7550 8.0137 120.1063 66.2198 31.3283 177.9826 140 R 3.9155 8.0797 118.0986 59.6920 30.0049 178.7517 141 R 3.9904 8.2587 117.8603 59.2381 30.1493 179.0727 142 I 3.7209 8.2187 120.1554 64.3423 37.0621 178.1013 143 E 3.9879 8.3586 120.2204 59.1428 29.5600 178.9830 144 K 4.0262 8.2150 118.6923 59.4037 32.1229 179.3487 145 I 3.7260 7.7673 120.1138 64.3951 37.0384 178.3967 146 R 4.1696 8.1870 120.1761 58.8639 29.8700 178.4516 147 A 4.0784 8.0664 120.6151 54.9081 18.0865 179.7338 148 I 3.7255 7.4368 117.7377 64.4081 37.4084 178.0105 149 E 4.1322 8.1589 119.0856 59.5435 29.1479 179.2923 150 A 4.1249 7.7986 119.3990 55.1979 18.5561 179.5621 151 S 4.1919 8.0878 111.0565 60.5703 63.1463 174.1413 152 H 4.4942 7.8296 124.2768 55.8871 28.8556 173.7544 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 R 8.11 4.42 0.00 1.55 2.19 0.00 2.90 0.00 0.00 2.72 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.48 0.00 4 R 8.38 4.64 0.00 1.91 1.91 0.00 3.09 0.00 0.00 3.34 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.74 0.00 5 V 9.53 4.92 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 1.33 0.00 0.00 6 A 9.03 4.92 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 7 I 8.91 5.03 2.18 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 1.25 1.10 1.10 0.00 0.00 8 G 9.27 4.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 T 8.34 5.70 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 1.37 0.00 0.00 10 D 8.22 4.85 0.00 2.91 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 11 H 8.94 4.34 0.00 3.51 3.75 0.00 5.47 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 P 0.00 4.25 0.00 2.15 2.13 0.00 3.82 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 13 A 8.11 4.22 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 F 8.07 4.16 0.00 3.18 3.36 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 15 A 7.73 3.91 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 16 I 7.27 4.23 1.79 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 1.42 0.79 0.87 0.00 0.00 17 H 7.79 4.07 0.00 3.11 3.51 0.00 5.26 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 E 7.30 3.63 0.00 1.69 1.75 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 1.98 1.64 0.00 19 N 7.55 3.69 0.00 2.67 2.16 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.50 3.84 0.00 1.75 1.69 0.94 0.72 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 21 I 7.33 3.65 1.83 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.31 0.86 0.00 0.00 22 L 7.48 3.89 0.00 1.69 1.60 0.92 0.93 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 23 Y 7.65 4.38 0.00 2.90 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 24 V 8.00 3.72 2.27 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 1.17 0.00 0.00 0.98 0.00 0.00 25 K 7.95 4.09 0.00 2.01 1.89 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.52 1.66 7.81 26 E 8.30 4.06 0.00 2.17 2.06 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 0.00 2.41 2.72 0.00 27 A 7.67 4.20 1.02 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 28 G 7.35 4.58 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 29 D 8.48 4.46 0.00 2.68 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 30 E 8.05 3.94 0.00 1.88 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 1.47 1.72 0.00 31 F 7.80 5.08 0.00 3.31 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 32 V 8.97 4.48 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 1.06 0.00 0.00 0.97 0.00 0.00 33 P 0.00 4.98 0.00 2.19 2.10 0.00 3.83 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 34 V 9.13 4.34 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 1.06 0.00 0.00 1.00 0.00 0.00 35 Y 8.62 4.73 0.00 3.15 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 36 C 8.91 4.73 0.00 2.88 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 37 G 5.38 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.37 0.00 1.86 1.75 0.00 3.59 0.00 0.00 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.05 0.00 39 K 8.53 4.33 0.00 1.76 1.91 0.00 1.73 0.00 0.00 1.82 0.00 0.00 3.08 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.57 1.50 7.81 40 T 7.04 4.19 4.06 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 0.00 0.00 0.00 1.14 0.00 0.00 41 A 7.97 4.03 1.35 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 0.00 0.00 42 E 7.54 4.10 0.00 2.03 1.90 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 2.18 2.24 0.00 43 S 8.32 3.64 0.00 3.79 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 44 V 7.62 4.58 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 0.93 0.00 0.00 nan 0.00 0.00 45 D 8.44 4.96 0.00 2.80 2.39 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 46 Y 8.86 4.41 0.00 3.30 3.33 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 47 P 0.00 4.25 0.00 2.00 2.02 0.00 3.20 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.39 0.00 48 D 7.92 4.18 0.00 2.59 2.31 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 49 F 8.18 4.11 0.00 3.13 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 50 A 8.46 4.05 1.51 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 0.00 0.00 51 S 8.32 4.01 0.00 3.98 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 52 R 7.87 3.80 0.00 1.94 2.03 0.00 3.01 0.00 0.00 3.05 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 53 V 7.80 3.59 2.14 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 1.01 0.00 0.00 1.06 0.00 0.00 54 A 8.31 4.02 1.37 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 0.00 0.00 0.00 55 E 8.44 3.92 0.00 2.11 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 2.54 2.48 0.00 56 M 7.91 4.04 0.00 2.09 2.31 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.74 0.00 57 V 8.11 3.81 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 1.05 0.00 0.00 58 A 8.05 4.00 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 59 R 8.12 3.99 0.00 1.84 2.00 0.00 3.22 0.00 0.00 3.22 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.82 0.00 60 K 7.63 3.97 0.00 1.95 1.97 0.00 1.67 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.48 7.81 61 E 8.36 4.13 0.00 1.93 2.10 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 2.33 2.28 0.00 62 V 7.30 4.60 2.34 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 0.93 0.00 0.00 1.05 0.00 0.00 63 E 8.80 3.96 0.00 1.81 1.71 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 1.47 1.90 0.00 64 F 8.46 5.52 0.00 3.09 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 9.50 4.67 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 66 V 9.13 4.94 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 1.03 0.00 0.00 0.89 0.00 0.00 67 L 9.17 5.37 0.00 1.55 1.52 0.97 0.48 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 68 A 9.04 5.50 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 C 8.24 4.91 0.00 3.10 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 G 9.12 3.88 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 0.00 0.00 0.00 71 S 8.22 4.50 0.00 3.91 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 72 G 8.11 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 73 I 7.57 3.69 1.77 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.63 0.87 0.00 0.00 74 G 7.62 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 0.00 0.00 0.00 75 M 7.75 4.15 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 76 S 8.00 4.19 0.00 4.08 4.11 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 77 I 7.59 3.76 2.05 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 1.47 0.67 0.96 0.00 0.00 78 A 8.36 4.18 1.51 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 0.00 0.00 79 A 8.17 3.99 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 80 N 7.75 4.53 0.00 2.80 2.91 0.00 0.00 7.12 7.44 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 81 K 7.74 4.26 0.00 1.90 1.87 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.73 1.60 7.81 82 V 7.40 3.95 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 1.02 0.00 0.00 0.94 0.00 0.00 83 P 0.00 4.62 0.00 2.08 1.99 0.00 3.72 0.00 0.00 3.86 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 84 G 9.46 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 85 V 7.27 4.21 2.36 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 0.85 0.00 0.00 0.95 0.00 0.00 86 R 9.40 4.69 0.00 1.73 1.83 0.00 3.21 0.00 0.00 3.12 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 87 A 9.46 5.15 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 88 A 9.04 4.60 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 89 L 8.64 4.49 0.00 1.64 1.62 0.95 0.93 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 90 C 8.69 5.11 0.00 2.82 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 91 H 8.64 4.86 0.00 3.23 3.34 0.00 5.60 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 92 D 7.35 4.52 0.00 2.87 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 93 H 8.73 4.01 0.00 3.41 3.36 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 8.11 3.99 0.00 3.16 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 95 T 8.65 3.80 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 1.32 0.00 0.00 96 A 7.94 4.04 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 97 A 7.88 3.70 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 0.00 0.00 0.00 0.00 0.00 98 M 7.86 3.74 0.00 1.85 1.85 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.38 0.00 99 S 8.18 4.30 0.00 4.19 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 0.00 100 R 7.42 3.80 0.00 1.87 1.95 0.00 2.72 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.45 0.00 101 I 7.70 3.71 1.66 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 1.45 1.09 0.79 0.00 0.00 102 H 8.29 4.16 0.00 3.15 3.28 0.00 5.65 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.03 4.66 0.00 2.87 2.83 0.00 0.00 7.03 8.06 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 0.00 104 D 8.03 4.12 0.00 1.58 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 0.00 0.00 0.00 105 A 8.04 4.27 1.50 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 0.00 0.00 0.00 106 N 9.05 5.31 0.00 3.05 3.06 0.00 0.00 6.58 7.73 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 0.00 107 I 8.00 5.28 1.93 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.74 0.91 0.00 0.00 108 V 8.13 4.30 0.67 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 0.33 0.00 0.00 0.48 0.00 0.00 109 C 8.80 5.35 0.00 2.80 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 0.00 110 V 8.75 4.70 2.06 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 0.75 0.00 0.00 0.91 0.00 0.00 111 G 8.36 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 112 E 9.49 4.04 0.00 1.89 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 2.32 2.42 0.00 113 R 8.04 4.32 0.00 1.97 1.94 0.00 3.34 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 114 T 7.70 4.39 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 1.26 0.00 0.00 115 T 7.87 4.77 4.36 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 1.21 0.00 0.00 116 G 8.46 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 0.00 0.00 0.00 117 V 8.31 3.70 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 0.83 0.00 0.00 0.97 0.00 0.00 118 E 8.09 3.97 0.00 1.93 1.93 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 2.38 2.28 0.00 119 V 7.63 3.59 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 1.10 0.00 0.00 0.91 0.00 0.00 120 I 7.96 3.63 2.06 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 1.40 0.55 1.02 0.00 0.00 121 R 7.87 2.88 0.00 0.67 1.59 0.00 2.78 0.00 0.00 2.84 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.83 0.00 122 E 7.80 3.83 0.00 2.12 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 0.00 2.34 2.35 0.00 123 I 8.00 3.64 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.54 0.82 0.00 0.00 124 I 7.82 3.64 1.88 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 1.44 0.66 0.88 0.00 0.00 125 I 7.68 3.56 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.61 0.89 0.00 0.00 126 T 7.97 3.76 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 1.01 0.00 0.00 127 F 8.07 3.92 0.00 2.99 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 0.00 128 L 7.46 3.37 0.00 0.95 0.13 0.46 0.32 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 0.00 129 Q 7.86 4.31 0.00 2.04 2.16 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 2.47 2.43 0.00 130 T 7.41 4.10 4.11 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 1.18 0.00 0.00 131 P 0.00 4.65 0.00 2.20 2.08 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 132 F 8.83 5.03 0.00 3.15 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 0.00 133 S 7.81 3.95 0.00 4.02 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 0.00 134 G 5.38 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 E 7.33 3.90 0.00 2.02 1.73 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 2.25 2.31 0.00 136 E 8.79 3.92 0.00 2.01 1.93 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 2.38 2.39 0.00 137 R 7.88 3.94 0.00 2.06 2.14 0.00 2.99 0.00 0.00 3.28 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.56 0.00 138 H 7.99 4.35 0.00 3.58 3.92 0.00 5.65 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 0.00 139 V 8.01 3.75 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 1.17 0.00 0.00 140 R 8.08 3.92 0.00 1.96 2.11 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 141 R 8.26 3.99 0.00 1.96 2.00 0.00 3.22 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 142 I 8.22 3.72 2.04 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.04 0.83 0.00 0.00 143 E 8.36 3.99 0.00 2.18 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 2.32 2.40 0.00 144 K 8.22 4.03 0.00 2.05 1.86 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.67 7.81 145 I 7.77 3.73 2.03 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 1.42 1.25 0.92 0.00 0.00 146 R 8.19 4.17 0.00 1.90 2.13 0.00 3.31 0.00 0.00 3.26 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 147 A 8.07 4.08 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 0.00 148 I 7.44 3.73 2.04 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 1.55 0.79 0.97 0.00 0.00 149 E 8.16 4.13 0.00 2.25 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 2.35 2.52 0.00 150 A 7.80 4.12 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 0.00 151 S 8.09 4.19 0.00 3.97 4.06 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 0.00 0.00 0.00 0.00 152 H 7.83 4.49 0.00 3.18 3.21 0.00 5.69 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00