NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3801 8.3044 120.3254 55.8153 32.7018 174.7757 2 H 4.4726 8.0916 126.4476 53.7841 28.7934 172.3937 3 L 4.4977 7.2177 120.3325 53.2381 43.5388 177.0610 4 T 4.0351 8.7836 115.0356 60.4967 69.8589 173.6719 5 P 4.1809 0.0000 0.0000 66.0644 30.9060 178.8127 6 E 4.0019 8.0850 115.4038 59.1896 29.5665 178.8324 7 E 3.9530 8.3111 120.2667 58.9647 29.4773 178.9431 8 K 3.9192 7.7961 119.5752 59.1733 32.2547 178.9641 9 S 4.1131 8.2294 114.7064 61.2954 62.7203 176.3919 10 A 4.0058 7.7115 123.9986 54.6399 18.0933 179.8583 11 V 3.2699 7.6316 116.7531 66.3845 31.3730 178.4787 12 T 3.9549 7.4588 113.6481 66.5447 68.4586 176.2726 13 A 4.1764 8.4050 123.1116 55.1518 18.3582 179.5225 14 L 3.7918 7.7840 118.6266 57.9078 41.7605 178.7621 15 W 4.4306 8.7214 127.9802 59.7914 30.3388 178.0164 16 G 3.7461 7.7390 105.2566 47.5569 0.0000 174.5432 17 K 4.3416 8.0488 118.3667 56.7845 32.7558 177.2442 18 V 3.7265 7.0211 118.4764 62.3768 32.0693 176.1407 19 N 4.6299 8.1021 124.7944 51.8611 38.2300 175.3877 20 V 3.6215 7.9681 120.6692 64.0695 31.6718 177.3997 21 D 4.3533 8.1757 118.0797 57.5334 40.8582 178.1919 22 E 3.9137 8.0026 119.2854 59.4412 29.6386 178.9479 23 V 3.5730 8.2330 118.6840 65.7987 31.5663 178.1915 24 G 3.7449 8.3361 105.7583 47.8932 0.0000 175.9407 25 G 3.5904 7.8200 108.5614 47.3643 0.0000 175.7848 26 E 3.9276 8.0865 120.3923 58.9968 29.5159 179.3136 27 A 3.9078 8.2132 121.1187 55.0065 18.4871 179.4635 28 L 3.9547 7.8832 118.9317 58.1592 42.2021 179.1300 29 G 3.6346 8.0977 105.6509 48.1923 0.0000 175.6885 30 R 3.8978 8.1399 121.3433 58.4979 30.0160 179.0047 31 L 3.9828 7.9509 120.0609 58.3157 42.0621 179.1550 32 L 4.0218 8.0189 118.4736 57.1707 41.2038 179.0016 33 A 4.1519 7.3356 119.2717 54.1755 19.4567 179.2063 34 V 3.4873 7.9620 116.1220 64.3458 32.9712 175.8918 35 Y 3.8692 7.1460 116.2251 53.8911 37.8643 174.0285 36 P 4.6154 0.0000 0.0000 64.5141 31.5285 178.4752 37 W 4.3549 8.0383 116.6622 59.5694 27.7960 177.7551 38 T 4.2192 7.8629 110.1265 63.7001 68.2110 175.8205 39 Q 4.4756 8.1367 121.4231 57.7056 28.5247 177.9271 40 R 3.7760 7.5834 117.1600 58.6379 29.2751 177.8403 41 F 4.2880 6.9180 114.7784 57.1999 39.9853 175.5788 42 F 4.6164 7.5971 118.4369 56.6312 39.2759 176.3531 43 E 4.2580 8.1882 117.7474 57.7750 30.1654 177.3495 44 S 4.6933 7.9491 113.1330 58.5314 63.6449 174.6857 45 F 4.6354 8.1974 119.6780 58.6267 39.9799 176.9061 46 G 3.9636 8.1268 106.4273 44.5312 0.0000 174.3882 47 D 4.4759 8.6032 126.0213 54.4133 39.9774 175.5650 48 L 4.8648 8.3920 125.5900 54.3038 43.0488 178.7058 49 S 4.3210 8.2408 116.5456 60.9678 63.0556 174.5954 50 T 4.7477 7.3146 107.2386 58.3184 73.0702 172.9754 51 P 4.2338 0.0000 0.0000 65.6907 31.2763 178.7817 52 D 4.2731 8.0331 117.0845 57.3774 40.6282 178.5045 53 A 4.0264 7.6500 119.6007 54.9085 18.3166 179.7101 54 V 3.7031 7.8143 116.8008 66.5048 31.5820 178.1633 55 M 4.1075 8.6369 117.8203 57.9405 31.9039 178.2395 56 G 3.9744 7.8607 103.3578 43.8682 0.0000 173.4136 57 N 4.3048 7.4759 121.0853 53.1136 39.4457 173.5927 58 P 4.2366 0.0000 0.0000 66.0600 31.1678 178.6588 59 K 3.6273 8.2550 118.2415 58.9803 31.7991 179.5259 60 V 3.6631 7.6400 118.1093 65.8359 31.5843 178.1175 61 K 3.9478 7.9966 118.1002 59.4169 31.4931 179.2636 62 A 3.9947 7.8847 121.0934 55.2817 18.1774 179.2572 63 H 4.3256 8.4605 117.0481 59.3028 29.9335 177.5478 64 G 3.6961 8.5580 108.0697 47.9135 0.0000 175.4791 65 K 3.9676 7.9527 121.3842 58.8931 32.1841 178.8988 66 K 3.9024 7.6822 119.5091 59.4622 32.2410 178.7283 67 V 3.6600 7.9383 118.7109 66.3830 31.4270 178.1257 68 L 4.3498 8.4286 118.6054 57.2659 41.4642 179.7773 69 G 3.6951 8.1313 105.9785 47.9262 0.0000 175.5923 70 A 4.1440 8.2672 124.1245 54.6078 18.5380 179.4611 71 F 4.2694 8.5645 119.1640 61.6804 39.2756 177.5294 72 S 4.2645 8.7055 114.1294 61.8633 62.9793 176.0860 73 D 4.6116 8.2924 121.4729 57.2356 40.5099 179.0486 74 G 3.5140 7.8198 105.8059 47.7122 0.0000 175.3425 75 L 3.9186 7.3004 118.3843 55.7775 41.6135 178.0435 76 A 4.5280 7.4254 119.6088 51.8887 20.1153 176.2446 77 H 4.8768 8.0126 115.5009 54.7003 30.0228 175.4729 78 L 4.2004 8.1347 120.4490 57.4681 41.8337 178.7309 79 D 4.4703 7.9173 117.5785 56.2856 41.8096 176.2038 80 N 4.9962 8.4220 116.5982 51.3726 39.0970 174.6026 81 L 4.0016 7.7758 123.0333 57.7235 42.1794 179.2124 82 K 3.9368 8.0489 117.0298 59.3708 32.2518 179.1888 83 G 3.6586 7.9107 105.8040 48.0997 0.0000 175.6018 84 T 3.6269 7.6121 117.6776 66.0731 68.7984 175.7725 85 F 4.6699 8.3387 117.0352 57.2668 39.2225 177.4640 86 A 4.1574 7.8127 122.7951 55.7439 18.2338 180.3082 87 T 4.0580 7.8806 107.6294 64.7001 68.8455 176.4350 88 L 4.0368 7.9250 122.8952 57.9720 42.2872 178.5782 89 S 4.3822 8.5716 114.8898 60.9783 62.3210 176.0116 90 E 3.8753 8.1361 121.0495 59.1600 29.1257 179.0859 91 L 3.8819 7.9265 120.2760 58.6652 42.2007 178.7270 92 H 4.1326 8.5112 116.2585 59.5705 28.1179 176.6677 93 C 3.5703 7.8341 120.8840 61.9525 30.9912 175.2315 94 D 4.3425 8.6170 122.8675 56.3799 40.7204 177.5102 95 K 4.2851 8.0239 117.2872 57.8858 33.4913 177.7296 96 L 4.0505 7.7113 116.1699 55.3622 42.3486 176.3061 97 H 4.1911 7.6818 113.5353 55.5609 25.9394 175.3290 98 V 3.7540 8.1181 118.7820 60.9851 32.3512 174.8338 99 D 4.3378 8.7607 127.4211 53.8831 41.6233 175.1524 100 P 3.3110 0.0000 0.0000 65.0809 31.1807 178.0142 101 E 3.8990 8.1108 118.0286 59.1448 29.3817 178.4456 102 N 4.2492 7.9124 116.7060 56.3506 38.3811 177.2357 103 F 4.5027 7.3657 119.0270 60.5648 38.9092 177.9360 104 R 4.0483 7.7878 117.3658 58.8469 30.0755 178.6974 105 L 3.7919 7.8358 118.8944 57.7684 41.6087 179.3106 106 L 4.1098 8.1191 120.2987 57.9907 41.9473 179.2273 107 G 3.6539 7.8619 105.7422 47.9515 0.0000 175.4664 108 N 4.4292 8.1960 119.2557 55.8683 38.4684 177.7295 109 V 3.5911 7.9539 119.6412 65.8780 31.5809 177.5986 110 L 3.8480 8.4674 120.3990 58.3510 41.8492 179.0831 111 V 3.5346 7.9355 117.9154 66.3562 31.3652 177.8089 112 C 4.1532 8.1478 116.4262 62.5830 27.9180 176.2958 113 V 3.5122 7.9021 120.2713 65.9798 31.0612 178.1103 114 L 3.8559 7.8989 118.7659 57.5322 41.2898 179.4679 115 A 3.6961 7.2609 120.7037 55.1261 18.1076 178.8690 116 H 4.0449 8.1378 116.0158 59.9916 29.9451 176.8729 117 H 4.0127 8.0049 116.0909 58.5891 28.9480 177.2450 118 F 4.4708 8.5364 117.8743 57.4077 39.4797 177.2555 119 G 3.7745 8.6382 109.0728 45.9754 0.0000 176.5200 120 K 3.8762 8.9257 122.9792 58.9550 32.1280 177.4056 121 E 4.1461 8.2319 118.5364 58.3790 29.9580 176.9781 122 F 4.6214 8.1948 123.2635 56.9699 37.9123 175.5868 123 T 4.1612 7.4552 115.3280 60.1348 71.2805 173.3709 124 P 4.1753 0.0000 0.0000 65.8104 31.2735 177.2302 125 P 4.2577 0.0000 0.0000 65.3206 31.2236 178.8640 126 V 3.5549 7.1189 116.7931 65.5287 31.3447 177.8546 127 Q 3.4715 7.9752 119.5942 59.0168 28.8562 178.0860 128 A 4.0136 8.0092 121.4952 55.0781 18.3480 179.5384 129 A 3.8529 7.7366 119.2643 55.6564 18.5143 179.5267 130 Y 3.9419 8.1116 115.2342 61.1439 38.0103 178.8845 131 Q 4.1222 8.6803 119.5327 59.0624 28.7849 179.0261 132 K 4.0001 7.9051 119.0832 59.3606 31.9424 179.6911 133 V 3.4842 7.6647 118.4856 66.1297 31.4174 178.6246 134 V 3.8042 8.4765 112.4034 64.2238 31.2422 178.5436 135 A 4.0872 8.1023 120.5783 55.0744 18.2570 179.8366 136 G 3.5308 8.2989 104.5674 47.9368 0.0000 176.1093 137 V 3.3239 8.0408 120.7154 65.5294 31.3232 177.9176 138 A 3.9173 7.9302 119.5205 55.2757 18.3699 179.0555 139 N 4.4191 8.4627 114.9594 56.4424 38.2637 177.5675 140 A 4.0269 8.0867 122.2077 55.1006 18.3430 179.5310 141 L 3.8547 8.1486 117.0557 56.5276 41.5870 178.3335 142 A 4.7381 7.6076 119.8196 52.4682 19.4273 178.2120 143 H 4.2760 7.9827 113.2839 58.0376 28.4191 176.2673 144 K 4.3823 7.8269 118.4124 56.1116 32.1102 176.2232 145 Y 4.2645 8.0785 117.6590 58.3831 38.5161 175.5051 146 H 4.4031 8.3682 117.0392 56.3615 28.0296 173.5574 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 4.38 0.00 1.98 2.09 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.45 0.00 2 H 8.09 4.47 0.00 3.15 3.22 0.00 5.72 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.22 4.50 0.00 1.56 1.51 0.84 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.78 4.04 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 1.15 0.00 0.00 5 P 0.00 4.18 0.00 2.14 2.13 0.00 3.55 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 2.09 2.12 0.00 6 E 8.08 4.00 0.00 2.13 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 0.00 2.32 2.32 0.00 7 E 8.31 3.95 0.00 2.22 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 2.27 2.26 0.00 8 K 7.80 3.92 0.00 1.73 2.01 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.41 7.81 9 S 8.23 4.11 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 10 A 7.71 4.01 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 11 V 7.63 3.27 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.60 0.00 0.00 0.43 0.00 0.00 12 T 7.46 3.95 4.51 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 1.25 0.00 0.00 13 A 8.40 4.18 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 L 7.78 3.79 0.00 1.81 1.90 0.51 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 15 W 8.72 4.43 0.00 3.83 3.19 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 0.00 0.00 0.00 0.00 16 G 7.74 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 0.00 0.00 0.00 17 K 8.05 4.34 0.00 2.13 2.11 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.52 1.68 7.81 18 V 7.02 3.73 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.03 0.00 0.00 0.66 0.00 0.00 19 N 8.10 4.63 0.00 2.71 2.61 0.00 0.00 7.14 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 20 V 7.97 3.62 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 0.77 0.00 0.00 1.02 0.00 0.00 21 D 8.18 4.35 0.00 2.85 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 22 E 8.00 3.91 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.29 0.00 23 V 8.23 3.57 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 0.92 0.00 0.00 0.65 0.00 0.00 24 G 8.34 3.74 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 0.00 0.00 0.00 25 G 7.82 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.09 3.93 0.00 2.23 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 2.31 2.48 0.00 27 A 8.21 3.91 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 28 L 7.88 3.95 0.00 1.86 1.65 0.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.10 3.63 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 0.00 0.00 0.00 30 R 8.14 3.90 0.00 1.91 1.94 0.00 3.07 0.00 0.00 3.02 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.71 0.00 31 L 7.95 3.98 0.00 1.82 1.86 1.02 0.64 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 32 L 8.02 4.02 0.00 1.86 1.70 0.67 0.88 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 33 A 7.34 4.15 1.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 7.96 3.49 1.45 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 0.01 0.00 0.00 0.79 0.00 0.00 35 Y 7.15 3.87 0.00 2.42 1.43 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 36 P 0.00 4.62 0.00 2.33 2.33 0.00 3.77 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 1.89 0.00 37 W 8.04 4.35 0.00 3.55 3.49 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 38 T 7.86 4.22 4.40 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 1.05 0.00 0.00 39 Q 8.14 4.48 0.00 2.31 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.81 0.00 0.00 0.00 0.00 0.00 2.44 2.52 0.00 40 R 7.58 3.78 0.00 1.55 1.89 0.00 3.01 0.00 0.00 2.71 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.50 0.00 41 F 6.92 4.29 0.00 1.70 2.44 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 42 F 7.60 4.62 0.00 2.89 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 43 E 8.19 4.26 0.00 2.09 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 2.24 2.30 0.00 44 S 7.95 4.69 0.00 4.12 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 45 F 8.20 4.64 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.13 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 47 D 8.60 4.48 0.00 2.67 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 48 L 8.39 4.86 0.00 1.74 1.62 1.01 0.92 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 49 S 8.24 4.32 0.00 3.95 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 50 T 7.31 4.75 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 1.21 0.00 0.00 51 P 0.00 4.23 0.00 2.15 2.10 0.00 3.58 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 2.08 2.14 0.00 52 D 8.03 4.27 0.00 2.67 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 53 A 7.65 4.03 1.43 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 54 V 7.81 3.70 2.25 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 1.03 0.00 0.00 1.02 0.00 0.00 55 M 8.64 4.11 0.00 1.96 2.14 0.00 0.00 0.00 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.86 0.00 56 G 7.86 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 57 N 7.48 4.30 0.00 3.02 2.87 0.00 0.00 6.78 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 58 P 0.00 4.24 0.00 2.23 2.26 0.00 3.71 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 2.01 2.03 0.00 59 K 8.25 3.63 0.00 1.51 0.74 0.00 1.70 0.00 0.00 1.34 0.00 0.00 2.84 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.14 1.23 7.81 60 V 7.64 3.66 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 1.07 0.00 0.00 1.06 0.00 0.00 61 K 8.00 3.95 0.00 1.96 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 3.20 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.62 7.81 62 A 7.88 3.99 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 63 H 8.46 4.33 0.00 3.50 3.48 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 G 8.56 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 0.00 0.00 0.00 65 K 7.95 3.97 0.00 1.85 2.07 0.00 1.64 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.46 1.67 7.81 66 K 7.68 3.90 0.00 2.06 1.92 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.50 7.81 67 V 7.94 3.66 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 0.94 0.00 0.00 68 L 8.43 4.35 0.00 1.97 1.87 1.07 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 69 G 8.13 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 0.00 0.00 0.00 70 A 8.27 4.14 1.56 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 71 F 8.56 4.27 0.00 3.31 3.30 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 72 S 8.71 4.26 0.00 4.28 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 0.00 73 D 8.29 4.61 0.00 2.94 2.66 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 0.00 0.00 0.00 0.00 74 G 7.82 3.51 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 0.00 75 L 7.30 3.92 0.00 1.60 1.44 0.13 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.43 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.01 4.88 0.00 3.08 3.14 0.00 5.83 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.13 4.20 0.00 1.50 1.66 0.76 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 79 D 7.92 4.47 0.00 2.62 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 80 N 8.42 5.00 0.00 2.64 2.58 0.00 0.00 7.15 6.69 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 81 L 7.78 4.00 0.00 1.75 1.82 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 82 K 8.05 3.94 0.00 1.63 1.62 0.00 1.70 0.00 0.00 1.61 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.46 7.81 83 G 7.91 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 7.61 3.63 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 0.47 0.00 0.00 85 F 8.34 4.67 0.00 3.20 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 86 A 7.81 4.16 1.45 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 0.00 0.00 0.00 0.00 0.00 0.00 87 T 7.88 4.06 4.26 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 1.21 0.00 0.00 88 L 7.93 4.04 0.00 1.92 1.97 1.03 1.09 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 89 S 8.57 4.38 0.00 4.16 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 90 E 8.14 3.88 0.00 2.30 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 2.30 2.45 0.00 91 L 7.93 3.88 0.00 1.90 1.86 0.92 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 92 H 8.51 4.13 0.00 3.59 3.79 0.00 5.86 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 C 7.83 3.57 0.00 1.36 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 94 D 8.62 4.34 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 95 K 8.02 4.29 0.00 1.75 1.78 0.00 1.55 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.39 7.81 96 L 7.71 4.05 0.00 1.67 1.60 0.67 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.68 4.19 0.00 3.40 3.43 0.00 5.74 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.12 3.75 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 0.14 0.00 0.00 0.34 0.00 0.00 99 D 8.76 4.34 0.00 2.81 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 0.00 100 P 0.00 3.31 0.00 1.92 1.85 0.00 3.38 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.57 0.00 101 E 8.11 3.90 0.00 2.05 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 2.32 2.40 0.00 102 N 7.91 4.25 0.00 2.48 2.66 0.00 0.00 6.88 7.65 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 0.00 103 F 7.37 4.50 0.00 3.09 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 0.00 104 R 7.79 4.05 0.00 1.84 1.98 0.00 3.12 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.81 0.00 105 L 7.84 3.79 0.00 1.69 1.34 0.53 -0.05 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 0.00 106 L 8.12 4.11 0.00 1.82 1.73 0.93 1.02 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 0.00 107 G 7.86 3.65 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 0.00 0.00 0.00 108 N 8.20 4.43 0.00 2.93 2.95 0.00 0.00 6.70 7.80 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 0.00 109 V 7.95 3.59 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 1.14 0.00 0.00 1.15 0.00 0.00 110 L 8.47 3.85 0.00 1.68 1.80 0.87 0.55 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 0.00 111 V 7.94 3.53 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 1.31 0.00 0.00 1.18 0.00 0.00 112 C 8.15 4.15 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 0.00 113 V 7.90 3.51 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.93 0.00 0.00 114 L 7.90 3.86 0.00 0.99 0.92 0.63 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 115 A 7.26 3.70 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 0.00 116 H 8.14 4.04 0.00 3.19 3.56 0.00 5.78 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 0.00 117 H 8.00 4.01 0.00 2.81 2.67 0.00 5.72 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 0.00 118 F 8.54 4.47 0.00 3.35 3.19 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 0.00 0.00 0.00 0.00 119 G 8.64 3.77 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 0.00 0.00 0.00 120 K 8.93 3.88 0.00 1.77 1.92 0.00 1.84 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.43 7.81 121 E 8.23 4.15 0.00 2.35 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 0.00 2.40 2.34 0.00 122 F 8.19 4.62 0.00 3.06 3.13 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 0.00 123 T 7.46 4.16 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 1.27 0.00 0.00 124 P 0.00 4.18 0.00 2.16 2.17 0.00 3.59 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 2.13 2.22 0.00 125 P 0.00 4.26 0.00 2.11 2.06 0.00 3.45 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.11 0.00 126 V 7.12 3.55 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 0.91 0.00 0.00 0.88 0.00 0.00 127 Q 7.98 3.47 0.00 1.83 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.55 0.00 0.00 0.00 0.00 0.00 2.44 2.63 0.00 128 A 8.01 4.01 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 0.00 129 A 7.74 3.85 1.23 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 0.00 0.00 130 Y 8.11 3.94 0.00 3.46 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 0.00 131 Q 8.68 4.12 0.00 2.22 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.80 0.00 0.00 0.00 0.00 0.00 2.76 2.62 0.00 132 K 7.91 4.00 0.00 1.92 1.83 0.00 1.64 0.00 0.00 1.54 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.57 7.81 133 V 7.66 3.48 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 0.89 0.00 0.00 0.74 0.00 0.00 134 V 8.48 3.80 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 1.06 0.00 0.00 1.11 0.00 0.00 135 A 8.10 4.09 1.43 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 0.00 136 G 8.30 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 0.00 0.00 0.00 137 V 8.04 3.32 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 0.59 0.00 0.00 0.60 0.00 0.00 138 A 7.93 3.92 1.43 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 0.00 139 N 8.46 4.42 0.00 2.90 2.88 0.00 0.00 6.93 7.97 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 0.00 140 A 8.09 4.03 1.43 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 0.00 141 L 8.15 3.85 0.00 0.98 0.40 0.04 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.61 4.74 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 0.00 143 H 7.98 4.28 0.00 3.35 3.69 0.00 5.74 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 7.83 4.38 0.00 1.73 1.81 0.00 1.64 0.00 0.00 1.53 0.00 0.00 2.98 0.00 0.00 2.99 0.00 0.00 0.00 0.00 0.80 1.62 7.81 145 Y 8.08 4.26 0.00 3.12 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 0.00 146 H 8.37 4.40 0.00 3.21 3.24 0.00 5.75 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