NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.5066 8.3349 115.4226 57.4691 65.2551 173.5397 4 D 4.4833 7.9976 122.9380 53.8026 41.4591 174.1404 5 F 5.5182 9.1795 124.8600 56.7900 43.5272 172.7532 6 Y 5.0084 7.8384 124.8341 56.1877 42.6488 173.2793 7 L 4.9253 7.7018 126.8037 53.4422 46.3288 174.6225 8 R 5.0227 9.0005 125.2132 54.7778 33.9287 172.9410 9 Y 5.2170 8.5576 126.3685 55.9161 42.3878 173.3885 10 Y 4.9401 8.1401 126.5504 55.6923 42.6828 174.1344 11 V 4.5731 8.0277 125.0638 59.6383 35.4511 174.7953 12 G 4.3469 8.2131 109.2142 47.3657 0.0000 170.9521 13 H 5.2505 8.1732 114.3717 54.7452 31.4291 172.7334 14 K 5.0513 8.6736 118.5419 54.7971 34.8260 175.5008 15 G 3.8853 8.5580 117.1121 44.1073 0.0000 172.8270 16 K 3.5903 8.5932 120.4467 59.0069 32.1522 177.8725 17 F 5.0638 7.8297 116.5166 57.0449 40.3277 176.3658 18 G 3.9763 8.1503 109.9315 45.5491 0.0000 173.8909 19 H 4.9180 8.6519 119.0922 55.3564 28.7938 174.1395 20 E 4.6684 8.7713 125.2974 55.0303 30.4529 175.3325 21 F 5.1843 8.2416 119.1542 54.9788 42.0796 173.0832 22 L 5.0831 8.6061 122.1172 53.4243 44.7786 174.7680 23 E 5.2184 9.1669 125.8401 55.0506 33.7409 173.5005 24 F 6.0218 8.4819 118.7138 56.1872 42.2947 172.6350 25 E 5.0666 8.6763 118.8371 55.2877 33.2296 173.4248 26 F 5.2462 9.2272 126.4864 55.8716 40.9252 175.9955 27 R 4.7943 9.1466 124.0447 54.9732 30.8224 176.4567 28 P 4.6520 0.0000 0.0000 65.2140 31.4078 177.5064 29 D 4.6092 8.2507 114.9033 53.7524 39.5454 177.0502 30 G 4.0843 8.7109 109.1080 45.3554 0.0000 172.9954 31 K 4.1547 8.7395 122.9475 55.9833 33.4161 175.2074 32 L 4.8045 9.2810 131.2219 53.4892 44.0701 174.9673 33 R 5.0339 8.9259 125.7771 54.4974 33.0910 174.2659 34 Y 5.4485 9.3646 124.6278 55.8292 42.2737 174.0712 35 A 4.9152 8.4953 126.6031 50.2802 23.3609 174.5894 36 N 4.7483 9.1550 120.4125 51.8573 41.9912 172.2567 37 N 4.9245 8.1209 126.1014 51.9918 41.0368 173.5560 38 S 4.6306 8.2028 118.1654 57.1717 65.7166 173.5090 39 N 5.3115 8.5507 121.9232 52.1871 39.1140 173.8388 40 Y 3.8497 8.1086 120.5404 59.4643 39.0880 176.7707 41 K 3.6281 8.8600 126.1969 57.6060 29.8298 174.8244 42 N 4.2719 8.3400 111.3028 53.9609 36.5841 174.3932 43 D 4.5786 7.9522 119.4128 54.4397 41.9362 174.8132 44 V 4.5146 8.2737 113.7757 58.8958 35.3855 175.7687 45 M 4.0861 8.5743 121.4746 55.7404 32.8977 175.3480 46 I 4.5400 8.4285 125.6826 59.5536 40.1893 174.6029 47 R 5.2081 8.6344 125.5527 54.3574 33.0066 175.3784 48 K 4.5479 9.1880 121.8715 54.8460 36.7053 175.0697 49 E 5.1748 8.2845 119.6224 55.6668 32.9159 173.0956 50 A 4.3409 8.3572 120.4710 52.0577 23.6120 174.7952 51 Y 4.9481 8.7046 116.9743 56.7561 38.8870 176.6904 52 V 4.1692 8.8012 118.9074 60.6555 33.0260 176.2333 53 H 4.4696 8.7916 122.5836 55.4375 30.7915 176.1473 54 K 3.8126 8.3689 124.1247 60.5160 31.8098 179.2419 55 S 4.3398 8.3049 114.6404 61.0629 62.8611 176.5404 56 V 3.5042 8.0234 122.0088 66.1151 31.3710 177.5701 57 M 3.7864 8.1114 117.8843 58.5838 31.7314 178.4671 58 E 3.7605 8.4112 118.5719 59.5055 29.6962 179.0837 59 E 3.8121 8.3598 119.5511 59.0859 29.6012 178.6423 60 L 3.7200 7.9967 120.8402 57.7787 42.0251 178.7489 61 K 3.4900 7.4618 119.5499 59.4445 32.0469 178.6700 62 R 3.7609 7.9970 118.9671 59.4886 29.6190 178.5884 63 I 3.7809 7.5808 119.6935 64.2041 36.9595 178.5932 64 I 3.8092 7.8516 120.7005 64.4521 36.8159 177.9870 65 D 4.4247 8.5416 118.8619 57.7938 40.7771 178.5674 66 D 4.5090 8.4012 118.5178 57.2065 40.8288 178.6246 67 S 4.2779 7.6433 113.7492 58.9124 63.6322 174.2670 68 E 3.8595 8.2235 120.3890 57.1943 27.2980 176.4056 69 I 3.8850 7.6277 121.9669 64.1398 38.1889 177.6814 70 T 4.2192 7.9946 108.8183 63.5366 68.7625 174.9350 71 K 4.2814 7.9385 120.1899 57.0693 32.4365 176.4036 72 E 4.7515 8.0878 119.0655 55.2635 31.3876 174.5366 73 D 4.5011 8.1307 117.8491 53.3715 44.0922 174.3045 74 D 3.3700 7.9507 123.0563 52.4908 39.8615 177.7169 75 A 3.8366 7.8013 124.5932 55.4456 18.2205 179.0752 76 L 4.5186 7.6520 111.7736 54.7900 42.4991 176.9504 77 W 4.5991 7.9908 119.4053 55.6306 29.9134 174.5272 78 P 4.4637 0.0000 0.0000 62.8028 31.7630 174.3581 79 P 4.7903 0.0000 0.0000 61.5346 32.5191 174.3659 80 P 4.5843 0.0000 0.0000 63.0496 31.9556 175.8958 81 D 4.7652 8.0844 118.2823 52.3849 42.0876 174.9449 82 R 4.0582 8.7360 116.5762 59.8162 30.1972 178.3887 83 V 3.6626 8.0095 116.5961 64.1873 32.1490 176.3258 84 G 3.9214 6.6400 105.5953 45.0967 0.0000 170.8314 85 R 5.1186 8.4150 119.5807 55.0534 33.9808 175.2195 86 Q 5.3987 9.1667 123.7701 54.3370 32.4583 174.4400 87 E 5.1695 9.3274 121.2726 54.7315 34.3292 174.4358 88 L 5.3862 9.2207 124.8775 53.5832 45.7717 174.3856 89 E 5.2233 9.6777 127.5649 54.5117 32.7948 174.5488 90 I 4.9962 9.1083 126.8904 59.6012 41.7839 174.1275 91 V 4.6199 8.9300 127.1055 61.3806 33.7181 174.4693 92 I 4.5636 8.7847 130.2875 61.4660 36.8523 176.9811 93 G 3.8697 10.0110 118.5602 46.1855 0.0000 172.4824 94 D 4.4896 9.0922 118.0613 56.0999 42.7081 176.8955 95 E 3.8775 8.1593 120.8363 56.9220 29.7863 174.4311 96 H 5.4440 8.8084 126.5759 54.4077 31.7231 173.1668 97 I 4.5735 8.4440 118.5552 59.4218 41.3811 174.1506 98 S 5.0000 7.5564 115.4155 57.2859 65.3679 173.3463 99 F 4.9397 9.5207 125.0906 55.9707 42.5738 174.1500 100 T 5.1914 9.0936 119.0688 62.4440 72.1173 173.0565 101 T 4.6661 8.2865 119.1342 61.5464 71.9066 172.1118 102 S 4.9604 8.3399 119.1084 57.1180 64.5558 174.2885 103 K 4.2118 8.6338 118.9085 56.5944 32.2749 177.0048 104 I 4.2922 8.1897 122.6851 59.4951 38.0283 176.1218 105 G 3.7066 8.7147 115.3689 47.7876 0.0000 173.1687 106 S 4.4289 7.9553 113.8563 55.6698 67.3601 174.9958 107 L 3.6259 8.2069 120.6157 57.5590 41.0211 179.5811 108 I 3.6196 7.3211 120.0520 64.6046 36.8609 178.0220 109 D 4.2354 7.6927 117.3371 57.2374 41.0541 178.4125 110 V 3.5136 7.3465 118.6289 66.2261 31.3100 177.7950 111 N 4.4711 8.3003 114.0513 55.1692 38.4676 176.3293 112 Q 4.4226 7.3641 117.7809 54.9981 29.4543 175.6181 113 S 4.4706 7.4157 115.6973 57.0872 64.3780 173.7888 114 K 4.1359 8.2808 119.6245 56.9422 33.2783 176.4491 115 D 4.4473 8.7074 118.5631 55.1864 39.3711 173.2335 116 P 4.3994 0.0000 0.0000 65.5785 31.8494 178.5546 117 E 4.1103 8.1960 117.4841 59.3374 29.5368 179.3193 118 G 3.8413 8.6309 105.8188 47.5316 0.0000 175.6675 119 L 3.0581 7.7202 122.6043 57.5158 41.8854 179.0220 120 R 3.9089 7.8149 118.1147 59.5238 30.0284 178.8546 121 V 3.7184 7.7143 117.2235 66.1945 31.3586 177.8979 122 F 4.0214 8.1700 120.0802 61.3787 39.3489 176.1324 123 Y 4.1119 8.5435 119.5988 61.3476 38.3643 177.9957 124 Y 3.9786 8.1993 117.2127 60.2312 38.0357 177.6138 125 L 3.8512 8.1049 121.7085 58.0906 42.1800 179.1426 126 V 3.0678 7.5626 118.3074 65.9297 31.3020 177.6546 127 Q 3.7734 7.3389 117.0970 59.2652 28.6837 178.9935 128 D 4.2666 8.1112 119.6304 57.3575 40.8388 179.0525 129 L 3.8931 7.9480 119.4508 57.7173 41.6165 179.6627 130 K 3.2491 7.8130 118.4089 59.0989 31.9517 178.6896 131 C 3.8667 7.8684 119.0617 62.4652 31.3230 175.6062 132 L 3.8668 7.4520 121.2724 58.1710 41.7549 179.0885 133 V 3.4584 7.8269 118.5659 66.0281 31.2944 178.0443 134 F 4.6572 8.5056 117.9261 60.4923 38.5721 177.9903 135 S 4.1291 8.0270 114.4840 61.5969 62.8069 176.4057 136 L 3.9932 8.1723 121.8616 58.1548 41.1815 179.8227 137 I 3.9806 8.4056 119.9730 64.2395 37.0087 178.8170 138 G 3.6390 8.3142 106.9877 47.9727 0.0000 175.8134 139 L 4.0793 8.1496 120.6108 57.1630 41.6887 178.4377 140 H 4.3786 8.0104 116.7435 57.4829 29.9306 175.6298 141 F 4.5735 7.7540 117.0287 57.3765 41.3505 175.3922 142 K 4.3099 8.0610 121.8067 55.1335 32.7176 176.0851 143 I 3.9582 8.2137 127.4471 60.4401 37.6964 175.9642 144 K 3.9966 8.6219 125.2326 56.0839 32.3658 175.0773 145 P 4.3868 0.0000 0.0000 64.8835 31.6067 176.4428 146 I 4.1085 7.5509 121.7570 61.3562 37.6405 175.1863 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 S 8.33 4.51 0.00 4.03 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 4 D 8.00 4.48 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 5 F 9.18 5.52 0.00 3.13 2.90 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 6 Y 7.84 5.01 0.00 3.05 2.64 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 7 L 7.70 4.93 0.00 1.36 1.46 1.07 1.51 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 8 R 9.00 5.02 0.00 1.74 1.73 0.00 3.15 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.57 0.00 9 Y 8.56 5.22 0.00 2.82 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.14 4.94 0.00 3.00 2.42 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 11 V 8.03 4.57 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 0.72 0.00 0.00 0.97 0.00 0.00 12 G 8.21 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 0.00 0.00 0.00 13 H 8.17 5.25 0.00 3.36 3.59 0.00 5.21 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.67 5.05 0.00 1.75 1.78 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.32 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.41 7.81 15 G 8.56 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 0.00 0.00 0.00 16 K 8.59 3.59 0.00 1.29 0.74 0.00 1.49 0.00 0.00 1.31 0.00 0.00 2.74 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.70 1.21 7.81 17 F 7.83 5.06 0.00 3.42 3.06 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 18 G 8.15 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 19 H 8.65 4.92 0.00 3.22 3.47 0.00 5.74 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 E 8.77 4.67 0.00 1.71 1.82 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 2.37 2.48 0.00 21 F 8.24 5.18 0.00 2.68 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 8.61 5.08 0.00 1.75 1.54 1.10 1.41 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 23 E 9.17 5.22 0.00 2.21 1.85 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 2.22 2.48 0.00 24 F 8.48 6.02 0.00 3.15 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 25 E 8.68 5.07 0.00 2.07 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 2.36 2.29 0.00 26 F 9.23 5.25 0.00 3.08 3.07 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 27 R 9.15 4.79 0.00 2.16 2.03 0.00 3.71 0.00 0.00 3.46 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.86 0.00 28 P 0.00 4.65 0.00 2.16 2.26 0.00 3.89 0.00 0.00 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.37 0.00 29 D 8.25 4.61 0.00 2.92 2.90 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 30 G 8.71 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 0.00 0.00 0.00 31 K 8.74 4.15 0.00 1.42 1.71 0.00 1.35 0.00 0.00 1.49 0.00 0.00 2.96 0.00 0.00 2.45 0.00 0.00 0.00 0.00 1.26 1.00 7.81 32 L 9.28 4.80 0.00 1.40 1.47 -0.22 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 33 R 8.93 5.03 0.00 1.78 1.83 0.00 3.14 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.51 0.00 34 Y 9.36 5.45 0.00 3.04 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 35 A 8.50 4.92 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 N 9.16 4.75 0.00 2.33 2.50 0.00 0.00 6.48 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 37 N 8.12 4.92 0.00 1.75 1.48 0.00 0.00 6.30 7.67 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 38 S 8.20 4.63 0.00 3.79 3.60 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 0.00 39 N 8.55 5.31 0.00 3.01 2.82 0.00 0.00 6.51 8.74 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 40 Y 8.11 3.85 0.00 2.56 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 41 K 8.86 3.63 0.00 1.48 1.56 0.00 1.55 0.00 0.00 1.47 0.00 0.00 2.79 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.85 0.21 7.81 42 N 8.34 4.27 0.00 2.86 2.94 0.00 0.00 6.77 7.64 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 43 D 7.95 4.58 0.00 2.90 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 44 V 8.27 4.51 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 0.70 0.00 0.00 0.91 0.00 0.00 45 M 8.57 4.09 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.48 0.00 46 I 8.43 4.54 1.96 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 1.20 0.45 0.97 0.00 0.00 47 R 8.63 5.21 0.00 1.64 1.81 0.00 3.17 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.60 0.00 48 K 9.19 4.55 0.00 1.35 0.74 0.00 1.16 0.00 0.00 0.92 0.00 0.00 2.63 0.00 0.00 2.81 0.00 0.00 0.00 0.00 0.45 1.10 7.81 49 E 8.28 5.17 0.00 1.99 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 2.23 2.38 0.00 50 A 8.36 4.34 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 51 Y 8.70 4.95 0.00 2.89 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 52 V 8.80 4.17 2.21 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 0.73 0.00 0.00 1.23 0.00 0.00 53 H 8.79 4.47 0.00 3.18 3.17 0.00 5.70 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 K 8.37 3.81 0.00 1.96 1.98 0.00 1.53 0.00 0.00 1.80 0.00 0.00 3.01 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.11 1.64 7.81 55 S 8.30 4.34 0.00 4.08 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 0.00 56 V 8.02 3.50 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 1.16 0.00 0.00 0.98 0.00 0.00 57 M 8.11 3.79 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.69 0.00 58 E 8.41 3.76 0.00 2.04 1.91 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 2.27 2.49 0.00 59 E 8.36 3.81 0.00 1.98 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 2.25 2.28 0.00 60 L 8.00 3.72 0.00 1.41 1.47 0.75 -0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 61 K 7.46 3.49 0.00 1.40 1.67 0.00 1.65 0.00 0.00 1.41 0.00 0.00 2.81 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.33 1.15 7.81 62 R 8.00 3.76 0.00 1.84 2.02 0.00 3.11 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 63 I 7.58 3.78 1.96 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.75 0.87 0.00 0.00 64 I 7.85 3.81 2.14 0.00 0.00 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 1.63 1.55 1.07 0.00 0.00 65 D 8.54 4.42 0.00 2.73 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 66 D 8.40 4.51 0.00 2.62 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 67 S 7.64 4.28 0.00 4.06 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 68 E 8.22 3.86 0.00 2.26 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 2.26 2.44 0.00 69 I 7.63 3.88 1.95 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 1.39 1.36 1.06 0.00 0.00 70 T 7.99 4.22 4.33 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 1.34 0.00 0.00 71 K 7.94 4.28 0.00 1.89 1.96 0.00 1.74 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.50 1.47 7.81 72 E 8.09 4.75 0.00 2.37 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 0.00 2.54 2.59 0.00 73 D 8.13 4.50 0.00 2.49 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 74 D 7.95 3.37 0.00 2.46 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 0.00 0.00 0.00 75 A 7.80 3.84 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 76 L 7.65 4.52 0.00 1.77 1.86 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 77 W 7.99 4.60 0.00 3.22 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 78 P 0.00 4.46 0.00 2.10 2.01 0.00 3.61 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 79 P 0.00 4.79 0.00 2.10 2.07 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.02 0.00 80 P 0.00 4.58 0.00 2.09 2.09 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.28 0.00 81 D 8.08 4.77 0.00 2.70 2.64 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 82 R 8.74 4.06 0.00 1.83 2.05 0.00 3.22 0.00 0.00 3.15 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 83 V 8.01 3.66 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 0.78 0.00 0.00 0.93 0.00 0.00 84 G 6.64 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 0.00 0.00 0.00 85 R 8.41 5.12 0.00 1.95 1.92 0.00 3.04 0.00 0.00 3.19 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 86 Q 9.17 5.40 0.00 2.36 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.46 2.61 0.00 87 E 9.33 5.17 0.00 1.83 1.79 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 2.21 2.28 0.00 88 L 9.22 5.39 0.00 2.29 2.17 1.15 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 89 E 9.68 5.22 0.00 2.11 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 2.43 2.30 0.00 90 I 9.11 5.00 1.96 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.95 0.00 0.00 91 V 8.93 4.62 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 1.02 0.00 0.00 1.05 0.00 0.00 92 I 8.78 4.56 1.96 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.18 1.02 0.00 0.00 93 G 10.01 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 9.09 4.49 0.00 2.70 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 95 E 8.16 3.88 0.00 2.02 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 2.41 2.32 0.00 96 H 8.81 5.44 0.00 3.16 3.14 0.00 5.72 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 97 I 8.44 4.57 1.48 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.82 0.77 0.00 0.00 98 S 7.56 5.00 0.00 3.77 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 F 9.52 4.94 0.00 3.19 2.68 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 0.00 100 T 9.09 5.19 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 1.24 0.00 0.00 101 T 8.29 4.67 4.63 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 0.00 0.00 0.00 1.24 0.00 0.00 102 S 8.34 4.96 0.00 3.92 4.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.63 4.21 0.00 1.82 1.86 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.53 1.54 7.81 104 I 8.19 4.29 2.00 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 1.27 0.65 0.55 0.00 0.00 105 G 8.71 3.71 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 0.00 0.00 0.00 106 S 7.96 4.43 0.00 4.00 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 0.00 107 L 8.21 3.63 0.00 1.65 1.70 1.09 0.69 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 0.00 108 I 7.32 3.62 1.81 0.00 0.00 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 1.48 1.57 0.87 0.00 0.00 109 D 7.69 4.24 0.00 2.66 2.63 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 0.00 0.00 0.00 0.00 110 V 7.35 3.51 1.88 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 0.84 0.00 0.00 0.35 0.00 0.00 111 N 8.30 4.47 0.00 2.72 2.83 0.00 0.00 7.09 7.53 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 0.00 112 Q 7.36 4.42 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.94 0.00 0.00 0.00 0.00 0.00 2.31 2.46 0.00 113 S 7.42 4.47 0.00 3.92 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 0.00 114 K 8.28 4.14 0.00 2.00 1.82 0.00 1.93 0.00 0.00 1.65 0.00 0.00 3.21 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.45 7.81 115 D 8.71 4.45 0.00 3.04 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 0.00 116 P 0.00 4.40 0.00 2.19 2.05 0.00 3.66 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.28 0.00 117 E 8.20 4.11 0.00 2.08 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 2.43 2.41 0.00 118 G 8.63 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 0.00 0.00 0.00 119 L 7.72 3.06 0.00 1.36 1.30 -0.81 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 120 R 7.81 3.91 0.00 2.19 2.26 0.00 3.44 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.90 0.00 121 V 7.71 3.72 2.38 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 1.21 0.00 0.00 1.10 0.00 0.00 122 F 8.17 4.02 0.00 3.08 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 0.00 123 Y 8.54 4.11 0.00 2.93 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 0.00 124 Y 8.20 3.98 0.00 3.10 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 0.00 125 L 8.10 3.85 0.00 1.78 1.65 0.90 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 126 V 7.56 3.07 1.61 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 0.18 0.00 0.00 0.05 0.00 0.00 127 Q 7.34 3.77 0.00 2.11 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.56 0.00 0.00 0.00 0.00 0.00 1.97 2.04 0.00 128 D 8.11 4.27 0.00 2.83 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 0.00 129 L 7.95 3.89 0.00 1.78 1.78 0.95 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.81 3.25 0.00 1.57 0.88 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.69 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.41 7.81 131 C 7.87 3.87 0.00 3.07 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 0.00 132 L 7.45 3.87 0.00 1.75 1.75 0.90 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 133 V 7.83 3.46 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 0.69 0.00 0.00 0.01 0.00 0.00 134 F 8.51 4.66 0.00 3.01 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 0.00 135 S 8.03 4.13 0.00 4.15 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 0.00 136 L 8.17 3.99 0.00 1.83 1.74 1.09 0.72 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 0.00 137 I 8.41 3.98 1.75 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.67 0.35 0.00 0.00 138 G 8.31 3.64 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 0.00 139 L 8.15 4.08 0.00 1.74 1.75 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 140 H 8.01 4.38 0.00 3.19 3.21 0.00 5.89 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 F 7.75 4.57 0.00 3.13 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 0.00 142 K 8.06 4.31 0.00 1.73 1.93 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.40 7.81 143 I 8.21 3.96 1.87 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 1.41 0.65 0.90 0.00 0.00 144 K 8.62 4.00 0.00 1.73 1.76 0.00 1.75 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 145 P 0.00 4.39 0.00 2.03 2.11 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 146 I 7.55 4.11 1.86 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 1.27 0.61 0.90 0.00 0.00