NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4713 8.3049 120.3271 54.6287 33.4329 175.2475 2 K 3.9941 8.4188 121.5377 55.8942 32.9216 173.7386 3 E 4.2710 9.4095 122.0206 56.6570 31.6188 175.6887 4 K 5.1157 8.5749 121.1195 54.7688 35.1105 175.3646 5 F 5.0461 9.3554 125.2029 56.4428 42.7411 173.6242 6 V 4.5207 7.9109 125.8789 60.9277 33.6580 173.7721 7 L 4.8088 8.5650 130.3665 53.3269 44.4307 174.7414 8 I 4.7767 8.5999 128.0439 59.7684 39.3900 174.7153 9 I 5.1263 8.7326 128.4135 59.7067 40.1992 174.9550 10 T 5.2229 8.4340 115.7563 60.1509 73.0204 172.5966 11 H 4.5602 9.8394 119.6738 56.6818 29.4269 176.9268 12 G 4.2611 9.1987 111.4033 47.0714 0.0000 174.2638 13 D 4.8036 8.5134 123.4823 54.6129 41.4279 178.2488 14 F 4.5652 8.3179 124.2767 61.5147 39.2833 177.3542 15 G 3.2392 8.1109 105.4019 47.4609 0.0000 175.2246 16 K 3.8875 8.0934 122.1521 59.4111 32.0822 178.9010 17 G 3.6489 8.3418 105.8533 47.3665 0.0000 175.4568 18 L 3.9454 8.2298 123.1011 57.9452 42.1152 178.8822 19 L 3.8459 7.9444 120.3208 58.0771 41.8132 178.4933 20 S 4.1817 7.8443 112.0457 61.5369 62.4469 176.2574 21 G 3.7275 8.4399 108.1283 47.8829 0.0000 175.4250 22 A 4.0423 8.2743 124.1123 54.9152 18.3773 179.5112 23 E 4.1629 8.3418 117.9129 58.3464 29.2508 179.5345 24 V 3.6020 7.2718 117.9721 65.9228 31.5933 177.7861 25 I 4.0210 7.5429 118.2368 63.4024 37.3650 176.7711 26 I 4.2507 7.7404 109.4479 59.9069 38.1832 176.3508 27 G 4.0137 8.1954 107.4645 44.8783 0.0000 173.1548 28 K 3.9711 8.4140 119.6256 56.9371 32.4319 175.9211 29 Q 4.7041 9.2299 124.4884 54.2299 31.0253 174.4331 30 E 4.6674 8.2027 118.0119 55.2674 32.5904 175.6292 31 N 4.6313 8.7767 113.4272 54.5265 36.0899 173.8472 32 V 4.5677 7.3219 117.3414 61.2911 34.1837 174.1024 33 H 5.1701 8.7822 126.9802 54.4581 33.4174 171.9731 34 T 5.0562 8.0692 113.2143 59.8049 71.7695 173.2197 35 V 4.3581 8.9686 123.6825 61.1168 34.6476 174.2205 36 G 4.5068 8.7333 114.3108 43.5409 0.0000 172.0400 37 L 4.9569 8.8450 124.0349 53.0768 43.9341 175.7978 38 N 5.2403 9.3104 121.5068 50.8341 41.9832 174.5144 39 L 4.1115 8.3881 120.3102 56.6309 42.0056 178.3512 40 G 3.9738 8.9030 110.5039 45.3975 0.0000 173.3988 41 D 4.3255 7.7385 120.2761 54.0373 41.5729 176.2787 42 N 4.5367 8.6761 122.2407 53.2407 39.5612 175.6746 43 I 3.9026 8.2919 123.3853 63.7624 38.1006 177.7784 44 E 3.9760 8.1968 120.0906 59.0596 29.2986 179.2323 45 V 3.5836 8.5033 119.0216 65.8943 31.5226 178.2764 46 V 3.5831 7.6188 117.7238 65.9138 31.3088 177.7952 47 R 3.8667 8.5299 118.8198 59.5703 29.9051 178.6327 48 K 4.0378 8.3405 120.5936 60.0535 32.0339 179.8663 49 E 3.9969 8.3012 118.6473 61.0384 29.5564 181.4103 50 V 3.7841 8.0789 119.7410 65.7651 31.5746 177.6609 51 E 3.7553 8.3415 119.2254 59.0771 29.4306 178.6503 52 K 3.8173 8.0586 119.4975 59.5351 32.1817 178.6431 53 I 3.5460 7.6475 119.8852 64.4426 36.9688 178.3575 54 I 3.5108 7.7915 120.6278 64.3011 36.9466 178.4572 55 K 3.6814 7.9676 119.5328 59.4175 31.7622 178.8358 56 E 3.8193 8.0490 119.2458 59.4228 29.5821 179.1625 57 K 3.7636 7.9744 118.5191 59.1233 31.9654 179.4267 58 L 3.9821 8.0662 119.7688 57.8667 41.2956 179.5262 59 Q 4.0822 7.8826 116.9141 58.2525 28.6031 177.4706 60 E 4.3175 7.4119 118.1053 55.1556 29.7772 175.4698 61 D 4.3738 7.8455 117.1647 55.2592 40.2290 173.3907 62 K 4.7586 7.6911 115.3914 54.7536 34.2435 176.2172 63 E 4.4533 9.0264 124.7666 55.4889 31.5575 174.8299 64 I 5.1041 8.4146 127.0355 59.7256 39.9894 174.2479 65 I 4.9245 8.6905 127.8876 59.5548 40.0194 174.4829 66 I 4.8271 9.0582 128.2475 59.6570 39.4834 174.9369 67 V 4.9668 8.7802 120.6634 59.6443 34.2700 175.3535 68 V 5.6534 8.9787 118.1079 58.4925 35.1139 176.5236 69 D 4.7148 8.8550 122.1539 56.2581 40.6612 176.4745 70 L 4.7407 7.6871 116.8775 52.9610 45.6379 176.2692 71 F 3.5557 8.6563 125.7487 56.4201 37.6828 173.9284 72 G 4.2177 9.0521 113.3338 44.1792 0.0000 171.5981 73 G 3.9953 8.2932 110.3760 44.8984 0.0000 174.5339 74 S 4.1370 8.5325 113.3303 61.1466 62.6214 175.0791 75 P 4.2310 0.0000 0.0000 65.4815 31.1169 178.4712 76 F 4.1582 8.1631 119.1281 61.0030 39.3792 176.3453 77 N 4.0419 8.1489 116.8426 56.8160 38.7686 176.8322 78 I 3.5939 8.0154 120.9770 64.2567 37.3506 178.1094 79 A 3.9324 7.9332 121.5741 55.2825 18.0531 179.5363 80 L 3.6932 7.6732 117.9234 57.9780 41.3730 180.0637 81 S 4.1175 7.9476 113.9365 61.5916 62.8338 176.4942 82 M 4.2852 7.8360 122.0450 58.3912 31.5150 178.2973 83 M 4.4003 7.9512 119.7096 58.9165 32.4461 178.7653 84 K 4.1470 7.7655 123.0842 58.5033 31.9181 181.0199 85 E 4.4536 7.3578 113.4504 56.4996 31.5421 175.0350 86 Y 4.8109 8.1208 114.5560 56.0028 41.6042 175.6439 87 D 4.6947 8.5273 122.1970 53.0875 39.7216 175.4349 88 V 4.7937 7.5107 114.0240 59.1427 35.5297 175.4931 89 K 4.7496 8.5313 121.6223 54.8326 34.9609 175.5435 90 V 5.0125 8.3163 121.8532 61.2259 34.5391 174.4363 91 I 4.8630 8.8374 126.9762 59.4912 41.4420 174.2432 92 T 4.9114 8.6936 118.1841 60.4005 71.7086 173.7831 93 G 3.9376 8.7490 106.9818 46.9278 0.0000 173.6074 94 I 3.6551 7.4704 119.0977 61.4345 38.4086 175.0747 95 N 5.2714 8.3707 123.4590 50.4673 41.7939 174.9048 96 M 4.0050 8.5347 118.4256 58.3938 32.3047 175.9811 97 P 4.2477 0.0000 0.0000 66.2318 31.2269 178.0586 98 M 4.0135 8.2801 118.2780 58.2271 31.9009 178.5889 99 L 4.0419 7.9546 120.3666 57.9240 42.2299 179.1533 100 V 3.5501 8.1486 118.7851 65.8729 31.4934 177.6623 101 E 3.9293 8.3085 119.1231 59.0506 29.6046 178.2399 102 L 3.9182 8.3230 120.7712 58.5473 41.9283 179.1596 103 L 4.0935 7.8822 117.3107 57.8821 41.6414 179.0982 104 T 4.0998 8.0473 112.7046 63.9538 67.5030 175.5627 105 S 4.7623 7.8263 114.4970 58.1063 63.2461 175.6540 106 I 3.6902 7.3241 123.9952 64.1170 37.7718 176.3673 107 N 4.8827 8.0895 114.7848 52.9134 38.7427 175.1667 108 V 3.8960 7.7261 120.1599 63.4420 32.6330 175.5674 109 Y 4.8338 7.5715 117.1021 56.0051 41.2394 176.1465 110 D 4.6890 8.4822 123.6164 55.3143 42.0333 178.5633 111 T 4.1010 8.5311 116.4215 67.9305 68.5700 176.9300 112 T 3.9271 8.0550 119.2560 67.4502 68.5699 177.0490 113 E 4.1442 8.1348 119.6474 60.7529 29.7318 180.3382 114 L 3.9952 8.1432 121.3742 58.2852 42.2308 179.2749 115 L 3.9795 8.3776 119.1584 57.6481 41.5797 179.4044 116 E 3.9404 8.0768 118.3762 59.4051 29.4311 179.0269 117 N 4.2129 8.5494 116.9644 56.4001 38.5684 177.5288 118 I 3.8522 7.9749 114.2298 63.3870 37.7542 178.1358 119 S 4.0285 8.0903 115.4247 61.2492 62.1612 176.0383 120 K 3.9183 7.8376 121.7514 59.6446 32.0752 178.8749 121 I 3.8097 7.9073 120.2851 64.1405 36.7237 178.7465 122 G 3.5898 8.1390 106.1852 47.6957 0.0000 175.7490 123 K 4.1501 8.0317 121.1964 59.3414 31.9272 179.3536 124 D 4.5367 8.3046 118.1732 56.8731 40.7760 178.2985 125 G 4.0115 7.7140 103.8261 44.6171 0.0000 173.4817 126 I 4.2712 7.2367 122.3314 59.8214 37.1893 175.4974 127 K 4.5371 8.1581 124.4296 54.5483 35.8419 176.3177 128 V 3.8069 8.3645 123.7607 62.2360 32.1478 175.1507 129 I 4.1856 8.1788 128.4137 60.0416 37.6048 175.2738 130 E 4.2451 8.5343 125.8973 55.4365 30.5601 177.7190 131 K 3.9003 8.8872 124.3534 59.8130 32.0023 179.0739 132 S 4.2509 8.0807 112.7526 60.8031 63.1264 175.6138 133 S 4.4248 8.3809 117.5719 59.3848 63.1977 175.9035 134 L 3.9310 7.6993 123.8281 58.2429 41.4780 179.4825 135 K 3.9418 8.0119 117.4117 59.8102 31.8075 179.2185 136 M 4.2255 7.9539 117.4961 58.3028 32.0952 178.3345 137 L 4.2844 8.1657 121.7910 58.4770 41.8773 179.9844 138 E 4.1399 8.3200 118.2499 61.4495 29.5088 180.8373 139 H 4.5420 8.0767 116.2979 59.1986 28.5600 177.1880 140 H 3.9752 7.8318 116.1214 57.7989 28.5616 176.3689 141 H 4.5195 7.9066 116.8615 56.6327 28.8740 175.1034 142 H 4.8964 7.9553 116.6551 55.2098 30.0686 172.5896 143 H 4.7128 7.5688 113.1014 55.1727 30.7952 173.3504 144 H 4.5575 8.7137 116.4445 56.0986 28.7930 175.2186 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 4.47 0.00 2.04 2.07 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.58 0.00 2 K 8.42 3.99 0.00 1.84 1.77 0.00 1.88 0.00 0.00 1.86 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.46 1.54 7.81 3 E 9.41 4.27 0.00 1.95 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 2.41 2.36 0.00 4 K 8.57 5.12 0.00 1.65 1.74 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.43 7.81 5 F 9.36 5.05 0.00 3.02 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 6 V 7.91 4.52 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 0.73 0.00 0.00 0.84 0.00 0.00 7 L 8.57 4.81 0.00 1.84 1.49 1.12 1.16 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 8 I 8.60 4.78 1.73 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.38 0.73 0.00 0.00 9 I 8.73 5.13 1.88 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 1.28 0.68 0.90 0.00 0.00 10 T 8.43 5.22 4.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 11 H 9.84 4.56 0.00 3.22 3.32 0.00 5.96 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 G 9.20 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 0.00 0.00 0.00 0.00 13 D 8.51 4.80 0.00 2.76 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 14 F 8.32 4.57 0.00 3.00 3.17 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 15 G 8.11 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 0.00 0.00 0.00 16 K 8.09 3.89 0.00 1.80 1.99 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 17 G 8.34 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 18 L 8.23 3.95 0.00 1.40 1.56 0.94 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.94 3.85 0.00 1.70 1.72 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 20 S 7.84 4.18 0.00 3.91 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.44 3.73 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 0.00 0.00 0.00 22 A 8.27 4.04 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 23 E 8.34 4.16 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.33 0.00 24 V 7.27 3.60 2.26 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 0.83 0.00 0.00 1.00 0.00 0.00 25 I 7.54 4.02 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 1.70 0.65 0.91 0.00 0.00 26 I 7.74 4.25 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 1.47 0.65 0.91 0.00 0.00 27 G 8.20 4.01 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 0.00 0.00 0.00 28 K 8.41 3.97 0.00 1.70 1.75 0.00 1.94 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.54 7.81 29 Q 9.23 4.70 0.00 2.08 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.48 0.00 0.00 0.00 0.00 0.00 2.44 2.41 0.00 30 E 8.20 4.67 0.00 2.01 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 2.30 2.29 0.00 31 N 8.78 4.63 0.00 2.96 3.16 0.00 0.00 6.18 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 V 7.32 4.57 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.89 0.00 0.00 33 H 8.78 5.17 0.00 3.48 3.21 0.00 5.77 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.07 5.06 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 1.12 0.00 0.00 35 V 8.97 4.36 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 0.95 0.00 0.00 0.98 0.00 0.00 36 G 8.73 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 0.00 0.00 0.00 0.00 37 L 8.85 4.96 0.00 1.57 1.57 0.94 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 38 N 9.31 5.24 0.00 2.62 2.73 0.00 0.00 6.57 6.52 0.00 0.00 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 L 8.39 4.11 0.00 1.64 1.63 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 40 G 8.90 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 41 D 7.74 4.33 0.00 2.88 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 42 N 8.68 4.54 0.00 2.76 2.72 0.00 0.00 6.98 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 43 I 8.29 3.90 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 1.64 0.65 0.98 0.00 0.00 44 E 8.20 3.98 0.00 2.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 45 V 8.50 3.58 2.28 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 0.99 0.00 0.00 1.01 0.00 0.00 46 V 7.62 3.58 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 1.03 0.00 0.00 1.01 0.00 0.00 47 R 8.53 3.87 0.00 1.98 2.07 0.00 3.15 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 48 K 8.34 4.04 0.00 1.99 1.84 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.63 1.60 7.81 49 E 8.30 4.00 0.00 1.99 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 2.24 2.19 0.00 50 V 8.08 3.78 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 1.02 0.00 0.00 0.97 0.00 0.00 51 E 8.34 3.76 0.00 2.09 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 2.30 2.30 0.00 52 K 8.06 3.82 0.00 1.84 1.95 0.00 1.67 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.44 7.81 53 I 7.65 3.55 2.01 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.64 0.86 0.00 0.00 54 I 7.79 3.51 1.63 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.77 0.49 0.00 0.00 55 K 7.97 3.68 0.00 1.78 1.79 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.18 7.81 56 E 8.05 3.82 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.25 0.00 57 K 7.97 3.76 0.00 1.39 1.42 0.00 1.08 0.00 0.00 1.36 0.00 0.00 2.56 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.88 0.21 7.81 58 L 8.07 3.98 0.00 1.78 1.71 0.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 59 Q 7.88 4.08 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.18 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 60 E 7.41 4.32 0.00 1.95 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 2.25 2.44 0.00 61 D 7.85 4.37 0.00 2.77 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 62 K 7.69 4.76 0.00 1.82 1.78 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.15 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.34 7.81 63 E 9.03 4.45 0.00 2.07 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 2.31 2.32 0.00 64 I 8.41 5.10 1.94 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 1.50 1.14 1.06 0.00 0.00 65 I 8.69 4.92 1.85 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 1.25 0.81 0.91 0.00 0.00 66 I 9.06 4.83 1.89 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 1.26 0.94 0.96 0.00 0.00 67 V 8.78 4.97 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 0.72 0.00 0.00 0.85 0.00 0.00 68 V 8.98 5.65 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 0.81 0.00 0.00 1.22 0.00 0.00 69 D 8.85 4.71 0.00 3.04 3.32 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 70 L 7.69 4.74 0.00 1.71 1.62 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 71 F 8.66 3.56 0.00 2.75 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 72 G 9.05 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 0.00 0.00 0.00 73 G 8.29 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 S 8.53 4.14 0.00 3.86 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 75 P 0.00 4.23 0.00 2.20 2.10 0.00 3.52 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.99 0.00 76 F 8.16 4.16 0.00 3.25 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 77 N 8.15 4.04 0.00 2.99 2.96 0.00 0.00 7.22 8.10 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 78 I 8.02 3.59 1.98 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 1.43 0.85 0.89 0.00 0.00 79 A 7.93 3.93 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 80 L 7.67 3.69 0.00 1.43 1.48 0.70 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 81 S 7.95 4.12 0.00 4.04 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 82 M 7.84 4.29 0.00 2.16 2.30 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 2.62 2.90 0.00 83 M 7.95 4.40 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.57 0.00 84 K 7.77 4.15 0.00 1.85 1.71 0.00 1.81 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.39 1.31 7.81 85 E 7.36 4.45 0.00 1.71 1.65 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 1.56 1.47 0.00 86 Y 8.12 4.81 0.00 3.05 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 D 8.53 4.69 0.00 2.66 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 88 V 7.51 4.79 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 0.86 0.00 0.00 0.98 0.00 0.00 89 K 8.53 4.75 0.00 1.76 1.72 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.40 1.39 7.81 90 V 8.32 5.01 2.18 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 0.94 0.00 0.00 0.95 0.00 0.00 91 I 8.84 4.86 1.91 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 1.32 1.63 0.93 0.00 0.00 92 T 8.69 4.91 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 1.29 0.00 0.00 93 G 8.75 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 94 I 7.47 3.66 1.88 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 0.71 0.92 0.00 0.00 95 N 8.37 5.27 0.00 3.03 2.95 0.00 0.00 5.90 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 96 M 8.53 4.00 0.00 2.17 2.14 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.68 0.00 97 P 0.00 4.25 0.00 2.30 2.31 0.00 3.80 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 98 M 8.28 4.01 0.00 2.10 2.38 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.83 0.00 99 L 7.95 4.04 0.00 1.73 1.63 0.85 0.74 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 0.00 100 V 8.15 3.55 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 0.94 0.00 0.00 0.96 0.00 0.00 101 E 8.31 3.93 0.00 2.13 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 2.29 2.37 0.00 102 L 8.32 3.92 0.00 1.81 1.84 0.93 0.65 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 0.00 103 L 7.88 4.09 0.00 1.64 1.70 0.88 0.78 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 0.00 104 T 8.05 4.10 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 1.32 0.00 0.00 105 S 7.83 4.76 0.00 4.33 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 7.32 3.69 2.02 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 1.31 0.71 0.95 0.00 0.00 107 N 8.09 4.88 0.00 2.72 2.78 0.00 0.00 6.73 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.73 3.90 1.87 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 0.03 0.00 0.00 0.82 0.00 0.00 109 Y 7.57 4.83 0.00 2.98 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 D 8.48 4.69 0.00 2.68 2.55 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 0.00 111 T 8.53 4.10 4.27 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 1.24 0.00 0.00 112 T 8.06 3.93 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 1.22 0.00 0.00 113 E 8.13 4.14 0.00 1.97 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 1.93 0.00 114 L 8.14 4.00 0.00 2.01 1.93 1.09 0.81 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 0.00 115 L 8.38 3.98 0.00 1.69 1.71 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.08 3.94 0.00 2.16 1.95 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 2.31 2.43 0.00 117 N 8.55 4.21 0.00 2.68 2.68 0.00 0.00 6.84 7.41 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 0.00 118 I 7.97 3.85 1.86 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 1.65 0.81 1.01 0.00 0.00 119 S 8.09 4.03 0.00 3.98 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 0.00 120 K 7.84 3.92 0.00 1.86 1.89 0.00 1.66 0.00 0.00 1.61 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.46 7.81 121 I 7.91 3.81 1.85 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 1.44 0.95 0.94 0.00 0.00 122 G 8.14 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 0.00 123 K 8.03 4.15 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.66 7.81 124 D 8.30 4.54 0.00 2.68 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 0.00 125 G 7.71 4.01 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 0.00 0.00 0.00 126 I 7.24 4.27 2.01 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 1.30 0.81 0.90 0.00 0.00 127 K 8.16 4.54 0.00 1.93 1.65 0.00 1.86 0.00 0.00 1.63 0.00 0.00 2.91 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.33 0.98 7.81 128 V 8.36 3.81 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 0.79 0.00 0.00 0.92 0.00 0.00 129 I 8.18 4.19 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 0.96 0.91 0.00 0.00 130 E 8.53 4.25 0.00 2.00 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 2.39 2.24 0.00 131 K 8.89 3.90 0.00 1.86 1.82 0.00 1.61 0.00 0.00 1.87 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.57 7.81 132 S 8.08 4.25 0.00 4.07 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 S 8.38 4.42 0.00 4.04 4.16 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 0.00 134 L 7.70 3.93 0.00 1.86 1.78 0.92 0.69 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 0.00 135 K 8.01 3.94 0.00 1.89 1.83 0.00 1.79 0.00 0.00 1.82 0.00 0.00 2.90 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.53 1.10 7.81 136 M 7.95 4.23 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.61 0.00 137 L 8.17 4.28 0.00 1.93 1.75 0.93 0.99 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 0.00 138 E 8.32 4.14 0.00 1.99 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 2.24 2.23 0.00 139 H 8.08 4.54 0.00 3.35 3.39 0.00 5.59 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 H 7.83 3.98 0.00 3.21 3.23 0.00 5.65 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 7.91 4.52 0.00 3.23 3.20 0.00 5.79 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 H 7.96 4.90 0.00 3.23 3.28 0.00 5.70 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 0.00 143 H 7.57 4.71 0.00 3.16 3.24 0.00 5.70 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 0.00 144 H 8.71 4.56 0.00 3.21 3.25 0.00 5.73 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