NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2123 8.1727 122.0523 56.2922 34.1082 173.8357 2 V 4.6731 8.1821 126.8946 60.7535 32.5866 174.5712 3 F 4.4229 9.8178 128.8754 57.4883 40.1688 175.0092 4 E 4.3105 9.2219 121.5176 55.8864 30.8759 177.7280 5 R 3.3129 8.8159 121.6356 60.1740 30.1187 179.6835 6 C 4.3810 8.0604 115.2436 59.3113 37.3047 175.5326 7 E 3.8941 8.1068 120.9724 59.2302 29.2029 178.4792 8 L 3.6733 8.0820 120.1212 57.8287 42.0700 178.6145 9 A 3.9329 7.7674 120.7372 55.4383 18.3782 179.9100 10 R 3.9106 8.1361 116.5063 59.5767 30.1701 179.5011 11 T 3.8887 7.9126 115.6449 66.6846 68.4870 176.7938 12 L 3.8956 8.1411 121.2212 57.2798 41.5359 179.5044 13 K 3.8885 8.0150 119.7823 59.6244 31.9993 178.8634 14 R 3.9490 7.8031 117.4232 59.0454 29.9849 177.4019 15 L 4.4261 7.4495 116.1237 54.1704 41.6997 177.0731 16 G 3.8813 7.8039 106.8081 46.6320 0.0000 175.0795 17 M 3.9471 7.9111 120.8289 56.4513 32.2688 175.7812 18 D 4.4860 8.0358 118.2980 55.8060 41.0853 175.7253 19 G 3.9641 9.5361 116.0541 45.3832 0.0000 171.3931 20 Y 4.2901 8.2484 121.9159 58.7267 39.0060 176.2522 21 R 3.5019 8.9563 126.3627 57.2466 27.9109 177.0439 22 G 3.8119 8.1860 102.5576 45.8518 0.0000 173.9267 23 I 4.1506 7.5060 121.7146 59.0717 38.2141 175.9496 24 S 4.6660 8.3478 120.7722 58.0231 64.9553 174.9832 25 L 4.2827 8.8784 123.1505 58.2466 41.2967 179.8401 26 A 4.1499 8.1746 120.1086 55.3406 18.3282 179.3182 27 N 4.4673 8.0233 113.8417 56.3585 38.5918 177.7580 28 W 4.3282 8.0557 120.0728 59.8786 29.0337 178.6329 29 M 4.1609 8.5480 119.1137 58.4576 31.4749 177.7623 30 C 3.2786 8.2622 118.9446 59.2678 44.9007 175.4077 31 L 3.9648 8.0336 121.4711 58.3392 41.7924 178.8012 32 A 4.1360 8.3502 120.7455 54.8848 18.2011 179.5158 33 K 2.7679 8.0401 118.1261 59.2515 32.0447 179.0304 34 W 4.2776 7.5431 116.8382 58.7442 29.1191 178.3937 35 E 4.3204 8.1954 118.7668 58.6087 29.2338 177.6581 36 S 4.5248 7.6908 108.4240 56.3922 64.4658 173.9198 37 G 3.4255 8.2950 108.9948 46.9450 0.0000 173.1520 38 Y 3.5836 7.6041 113.0092 58.7948 35.3191 168.8714 39 N 5.3771 7.8449 118.3982 51.8430 40.5586 175.4003 40 T 3.9827 8.7399 116.7245 64.1754 69.1456 176.0884 41 R 4.2860 8.0920 119.3520 56.4086 30.7223 176.4262 42 A 4.2750 7.7445 122.3524 52.6197 19.1282 176.8579 43 T 5.0170 8.4520 111.6877 59.9540 72.6604 173.2287 44 N 4.8543 8.7733 121.2462 52.3973 41.9057 172.6333 45 Y 4.8032 8.7518 127.9688 57.3433 40.9485 173.8801 46 N 4.7721 8.2895 123.8959 50.9597 39.4759 175.0268 47 A 3.6774 8.3423 127.5955 54.6965 18.8950 179.2731 48 G 3.6806 7.9858 104.3938 47.8247 0.0000 173.9755 49 D 4.7446 7.6389 115.4765 52.0959 40.0294 175.8118 50 R 3.9081 8.0311 116.6190 57.0958 28.1005 175.7889 51 S 4.9806 7.7656 111.1122 56.9722 66.6908 172.4751 52 T 5.1380 8.8366 115.7957 61.9431 72.7005 172.7863 53 D 5.4824 9.0407 124.8868 53.0932 43.3779 174.9910 54 Y 4.8951 9.1338 121.0970 57.4778 41.2817 177.3305 55 G 4.4607 9.0283 112.2941 46.2552 0.0000 173.4413 56 I 3.6461 8.2981 117.4390 63.4781 37.9716 177.4825 57 F 4.7257 8.0201 115.8086 56.4400 39.7851 175.3484 58 Q 3.5756 7.9443 119.2215 57.0800 26.5621 174.0463 59 I 4.4810 8.2177 118.9734 61.0027 39.3325 176.8942 60 N 5.3555 9.2749 125.8852 53.4981 39.9063 175.5329 61 S 4.9118 9.0610 119.8635 59.7769 63.5756 175.4362 62 R 3.6282 8.7892 122.7270 58.8564 30.2553 178.2138 63 W 4.3184 7.7147 117.4037 57.0491 30.5450 177.4235 64 W 4.8881 8.3922 117.2012 57.4305 31.2418 173.8155 65 C 5.6142 8.3064 112.3602 53.5121 46.3937 172.2392 66 N 5.1939 9.0082 119.4725 52.0455 40.0820 174.7671 67 D 4.8285 8.8681 124.2039 52.4723 40.1921 177.5768 68 G 4.0315 8.5734 108.5355 45.9251 0.0000 174.7007 69 K 4.4698 8.0926 116.4047 56.6453 33.0837 175.6970 70 T 4.4763 7.7182 116.7289 61.3408 69.4106 172.8496 71 P 4.1296 0.0000 0.0000 64.0160 31.8667 176.8914 72 G 4.0693 8.8202 108.6291 45.9020 0.0000 173.4351 73 A 3.9912 7.1918 122.4853 52.2789 18.6762 178.5123 74 V 3.7518 8.5702 123.2322 62.9695 32.9419 175.5298 75 N 4.2268 8.0632 116.7253 54.3716 37.0055 174.9700 76 A 4.0003 8.0743 121.1182 55.3544 19.0188 178.6374 77 C 4.5049 8.6150 111.6619 57.6345 41.0338 173.0432 78 H 4.1134 7.9115 116.2251 56.7320 26.2780 174.7041 79 L 4.8307 8.2780 117.6431 52.6448 46.1854 176.9227 80 S 4.5729 8.4494 116.6871 58.2415 63.2456 175.9386 81 C 4.1677 8.7929 124.8467 59.6276 40.3735 176.5913 82 S 3.8916 7.8210 115.3890 61.0791 62.2262 176.3003 83 A 4.0908 7.7782 123.6158 54.3638 18.2185 178.4484 84 L 4.4720 7.8459 116.2147 54.9978 41.6561 177.5816 85 L 5.0121 7.5008 118.0058 54.5327 42.1093 176.7218 86 Q 4.3432 7.7643 117.7633 55.4872 29.4441 176.0548 87 D 4.4135 8.5146 119.8521 57.0607 41.1571 176.7272 88 N 4.5463 8.0751 118.2647 53.2884 39.1658 174.6738 89 I 4.2738 8.4057 118.7028 61.0447 38.1270 176.9810 90 A 3.9305 8.3772 124.9048 55.8569 18.1125 179.9931 91 D 4.3027 8.0780 116.6132 57.3299 40.9474 178.6058 92 A 4.0942 7.9689 120.9288 55.1614 18.4736 179.7214 93 V 3.4015 8.1872 116.8566 66.0205 31.6649 178.1471 94 A 3.8652 8.0367 120.5802 55.1871 18.1350 178.8640 95 C 4.2062 8.4220 116.8752 59.6972 37.9238 175.5201 96 A 3.8757 8.2850 122.8063 55.1262 17.5653 179.7698 97 K 3.8061 7.6226 116.1894 59.3488 32.4245 179.1995 98 R 4.0427 7.7229 118.4715 59.4452 29.9003 178.4207 99 V 2.3520 7.2867 117.9769 65.8058 31.3762 177.6972 100 V 3.9860 7.5497 108.9434 62.1144 31.4613 177.8250 101 R 4.2628 7.7907 117.5682 56.9834 30.5862 176.5239 102 D 4.6834 7.2675 119.8178 52.8209 41.6616 175.5174 103 P 4.2716 0.0000 0.0000 66.0558 31.3578 177.8950 104 Q 3.9936 8.1491 117.7276 56.6221 30.0641 177.1187 105 G 3.6806 7.9585 107.1923 47.0267 0.0000 175.9830 106 I 3.7964 7.7444 120.2864 63.2800 38.0464 177.9877 107 R 4.2253 7.2602 118.0753 58.2379 29.9674 177.5686 108 A 3.9107 7.6150 120.4726 54.0445 18.7361 177.4556 109 W 4.7716 8.2224 116.7320 55.3051 29.9344 177.3522 110 V 3.7266 8.7782 123.8094 66.0465 31.0175 177.4648 111 A 4.0244 8.3790 120.0680 55.0186 18.0271 179.3028 112 W 3.9744 8.4246 126.5744 60.7158 30.5907 178.4457 113 R 3.7357 8.2407 116.3995 59.3390 29.6290 178.3741 114 N 4.3917 8.2069 115.4034 55.4786 38.7164 176.8010 115 R 4.1729 7.5907 116.0281 55.9391 31.6447 176.0635 116 C 4.5552 7.6845 114.7039 57.7605 42.9204 174.4324 117 Q 3.3485 6.4888 119.4741 57.2741 28.6299 175.4750 118 N 4.2604 8.7840 121.0519 54.2911 35.9215 173.7731 119 R 4.5538 7.3279 115.3316 53.9221 33.4893 175.2130 120 D 4.5347 8.5299 118.9855 54.4101 40.9181 175.8602 121 V 4.6492 8.2987 119.3273 61.4004 32.4243 178.1900 122 R 4.2265 7.9277 121.4073 58.4294 30.4741 178.5445 123 Q 4.1081 7.9121 115.6450 58.4501 28.8773 177.7963 124 Y 4.2361 7.6292 115.7363 60.1756 38.2663 176.8084 125 V 4.3869 7.8151 111.2110 60.6181 32.7774 175.3841 126 Q 4.2395 7.5448 119.2403 57.2774 28.8181 176.8742 127 G 3.9707 8.9823 110.2844 45.6636 0.0000 174.4940 128 C 4.3593 7.9405 115.5136 56.8534 40.9842 173.4005 129 G 3.8332 8.0759 107.5065 46.8565 0.0000 174.0688 130 V 4.0190 7.5554 121.4328 61.5875 31.5879 175.6714 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 K 8.17 4.21 0.00 1.83 1.72 0.00 1.29 0.00 0.00 0.97 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.95 1.13 7.81 2 V 8.18 4.67 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 0.91 0.00 0.00 0.95 0.00 0.00 3 F 9.82 4.42 0.00 2.84 2.81 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 0.00 0.00 0.00 4 E 9.22 4.31 0.00 1.93 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 2.32 2.24 0.00 5 R 8.82 3.31 0.00 1.92 1.93 0.00 3.45 0.00 0.00 3.48 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.75 0.00 6 C 8.06 4.38 0.00 3.00 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 7 E 8.11 3.89 0.00 2.05 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 0.00 2.64 2.42 0.00 8 L 8.08 3.67 0.00 1.39 1.36 -0.16 0.60 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 9 A 7.77 3.93 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 10 R 8.14 3.91 0.00 1.87 1.99 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 1.65 1.79 0.00 11 T 7.91 3.89 4.30 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 1.24 0.00 0.00 12 L 8.14 3.90 0.00 1.73 1.57 0.91 0.62 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 13 K 8.01 3.89 0.00 1.94 2.01 0.00 1.65 0.00 0.00 1.58 0.00 0.00 2.89 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.44 1.46 7.81 14 R 7.80 3.95 0.00 2.06 2.06 0.00 3.30 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.67 0.00 15 L 7.45 4.43 0.00 1.57 1.55 0.85 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.80 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 17 M 7.91 3.95 0.00 1.30 1.97 0.00 0.00 0.00 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.24 0.00 18 D 8.04 4.49 0.00 2.68 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 19 G 9.54 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 20 Y 8.25 4.29 0.00 3.38 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 R 8.96 3.50 0.00 1.88 1.84 0.00 3.36 0.00 0.00 3.02 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.64 0.00 22 G 8.19 3.81 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 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.51 4.15 1.76 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.79 -0.17 0.00 0.00 24 S 8.35 4.67 0.00 4.12 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 25 L 8.88 4.28 0.00 1.84 1.88 1.03 0.97 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 26 A 8.17 4.15 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 27 N 8.02 4.47 0.00 2.88 2.79 0.00 0.00 6.99 7.55 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 28 W 8.06 4.33 0.00 3.49 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 29 M 8.55 4.16 0.00 2.15 2.35 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.93 0.00 30 C 8.26 3.28 0.00 2.73 3.23 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 0.00 31 L 8.03 3.96 0.00 1.86 1.89 0.63 -0.14 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 32 A 8.35 4.14 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 33 K 8.04 2.77 0.00 1.51 1.09 0.00 1.53 0.00 0.00 0.61 0.00 0.00 2.70 0.00 0.00 2.78 0.00 0.00 0.00 0.00 0.45 0.66 7.81 34 W 7.54 4.28 0.00 3.33 3.23 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 0.00 35 E 8.20 4.32 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 36 S 7.69 4.52 0.00 4.03 3.89 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 37 G 8.29 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.60 3.58 0.00 3.18 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 39 N 7.84 5.38 0.00 2.83 2.83 0.00 0.00 7.02 6.68 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 40 T 8.74 3.98 4.43 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 41 R 8.09 4.29 0.00 2.01 2.04 0.00 3.19 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.60 0.00 42 A 7.74 4.27 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 43 T 8.45 5.02 4.05 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 1.15 0.00 0.00 44 N 8.77 4.85 0.00 2.76 2.79 0.00 0.00 7.03 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 45 Y 8.75 4.80 0.00 3.04 2.83 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 0.00 0.00 0.00 46 N 8.29 4.77 0.00 2.62 2.58 0.00 0.00 6.76 7.55 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 47 A 8.34 3.68 1.28 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 0.00 0.00 48 G 7.99 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 0.00 0.00 0.00 49 D 7.64 4.74 0.00 2.71 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 50 R 8.03 3.91 0.00 2.03 2.18 0.00 3.09 0.00 0.00 3.16 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.52 0.00 51 S 7.77 4.98 0.00 3.84 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 52 T 8.84 5.14 4.18 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 0.68 0.00 0.00 53 D 9.04 5.48 0.00 2.71 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 54 Y 9.13 4.90 0.00 2.95 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 55 G 9.03 4.46 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 0.00 56 I 8.30 3.65 1.68 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.67 0.11 0.00 0.00 57 F 8.02 4.73 0.00 3.21 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 58 Q 7.94 3.58 0.00 2.51 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.79 6.82 0.00 0.00 0.00 0.00 0.00 2.52 2.71 0.00 59 I 8.22 4.48 2.15 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 1.15 0.00 0.00 60 N 9.27 5.36 0.00 3.13 3.06 0.00 0.00 6.98 7.63 0.00 0.00 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 S 9.06 4.91 0.00 4.05 4.35 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 62 R 8.79 3.63 0.00 1.50 1.27 0.00 2.59 0.00 0.00 2.61 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.79 0.00 63 W 7.71 4.32 0.00 2.23 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 0.00 0.00 0.00 64 W 8.39 4.89 0.00 3.51 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 C 8.31 5.61 0.00 3.08 3.25 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 66 N 9.01 5.19 0.00 2.83 2.70 0.00 0.00 7.08 9.00 0.00 0.00 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 8.87 4.83 0.00 2.82 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 68 G 8.57 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 69 K 8.09 4.47 0.00 1.90 1.89 0.00 1.59 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.54 7.81 70 T 7.72 4.48 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 1.12 0.00 0.00 71 P 0.00 4.13 0.00 2.11 1.94 0.00 3.68 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.08 0.00 72 G 8.82 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 A 7.19 3.99 1.17 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 0.00 0.00 0.00 74 V 8.57 3.75 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 0.76 0.00 0.00 0.87 0.00 0.00 75 N 8.06 4.23 0.00 2.93 2.74 0.00 0.00 7.11 7.95 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 76 A 8.07 4.00 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 77 C 8.62 4.50 0.00 3.27 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.91 4.11 0.00 3.33 3.36 0.00 5.79 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 8.28 4.83 0.00 1.70 1.50 1.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 80 S 8.45 4.57 0.00 3.83 3.70 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 81 C 8.79 4.17 0.00 2.35 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 82 S 7.82 3.89 0.00 4.04 4.08 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 83 A 7.78 4.09 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 84 L 7.85 4.47 0.00 1.91 1.82 1.07 0.36 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 85 L 7.50 5.01 0.00 1.79 1.73 1.12 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 86 Q 7.76 4.34 0.00 2.21 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.50 7.11 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 87 D 8.51 4.41 0.00 2.65 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 88 N 8.08 4.55 0.00 2.67 2.75 0.00 0.00 6.92 7.94 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 89 I 8.41 4.27 1.77 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.71 0.99 0.00 0.00 90 A 8.38 3.93 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 91 D 8.08 4.30 0.00 2.72 2.74 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 0.00 0.00 0.00 0.00 92 A 7.97 4.09 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 93 V 8.19 3.40 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 0.74 0.00 0.00 0.87 0.00 0.00 94 A 8.04 3.87 1.34 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 0.00 0.00 0.00 95 C 8.42 4.21 0.00 3.14 3.27 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 96 A 8.28 3.88 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 7.62 3.81 0.00 1.65 1.43 0.00 1.31 0.00 0.00 0.83 0.00 0.00 2.28 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.30 1.01 7.81 98 R 7.72 4.04 0.00 1.96 2.11 0.00 3.27 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.89 0.00 99 V 7.29 2.35 1.78 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 -0.21 0.00 0.00 -0.49 0.00 0.00 100 V 7.55 3.99 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 1.11 0.00 0.00 1.43 0.00 0.00 101 R 7.79 4.26 0.00 2.06 2.03 0.00 3.25 0.00 0.00 3.32 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.10 0.00 102 D 7.27 4.68 0.00 2.97 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 0.00 103 P 0.00 4.27 0.00 2.14 2.17 0.00 3.75 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.97 0.00 104 Q 8.15 3.99 0.00 2.09 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.87 0.00 0.00 0.00 0.00 0.00 2.37 2.36 0.00 105 G 7.96 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 0.00 0.00 0.00 106 I 7.74 3.80 1.07 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.82 -0.56 0.00 0.00 107 R 7.26 4.23 0.00 1.99 2.01 0.00 3.27 0.00 0.00 3.36 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.80 0.00 108 A 7.61 3.91 0.93 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 0.00 0.00 109 W 8.22 4.77 0.00 3.55 3.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 8.78 3.73 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 1.01 0.00 0.00 111 A 8.38 4.02 1.53 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 0.00 0.00 112 W 8.42 3.97 0.00 3.48 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 0.00 113 R 8.24 3.74 0.00 2.07 2.01 0.00 3.35 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.02 0.00 114 N 8.21 4.39 0.00 2.54 2.73 0.00 0.00 6.92 7.27 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 0.00 115 R 7.59 4.17 0.00 1.19 1.04 0.00 2.85 0.00 0.00 2.87 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.94 0.00 116 C 7.68 4.56 0.00 1.74 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 0.00 117 Q 6.49 3.35 0.00 0.93 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.74 0.00 0.00 0.00 0.00 0.00 2.17 2.25 0.00 118 N 8.78 4.26 0.00 2.82 2.86 0.00 0.00 6.89 7.66 0.00 0.00 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 R 7.33 4.55 0.00 1.79 1.78 0.00 3.24 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.53 0.00 120 D 8.53 4.53 0.00 2.62 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.30 4.65 2.45 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 1.01 0.00 0.00 1.04 0.00 0.00 122 R 7.93 4.23 0.00 1.86 2.01 0.00 3.34 0.00 0.00 3.47 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.59 0.00 123 Q 7.91 4.11 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.97 6.91 0.00 0.00 0.00 0.00 0.00 1.77 2.04 0.00 124 Y 7.63 4.24 0.00 3.26 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 0.00 125 V 7.82 4.39 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 1.00 0.00 0.00 1.05 0.00 0.00 126 Q 7.54 4.24 0.00 2.30 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 127 G 8.98 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 C 7.94 4.36 0.00 3.10 3.15 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 0.00 129 G 8.08 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 130 V 7.56 4.02 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 0.79 0.00 0.00 0.98 0.00 0.00