NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4175 8.3044 120.3249 54.0163 33.5555 174.5424 2 R 4.1873 7.4621 127.3833 55.9133 37.7400 171.0031 3 E 4.7425 8.6928 118.3775 54.7149 33.5922 175.2261 4 R 4.3645 7.6444 117.1705 55.9680 31.0788 177.0023 5 G 3.2550 7.7618 111.3692 44.6907 0.0000 175.5248 6 W 4.6162 5.2359 117.8751 54.4022 27.4511 176.5251 7 S 4.5163 7.2833 109.4423 58.8921 63.9017 174.1210 8 Q 3.4299 8.0581 116.6828 57.5548 25.2030 171.5101 9 K 4.2074 7.0763 120.9237 57.0812 34.0494 177.6323 10 K 4.5249 7.7440 115.3011 56.8069 33.9170 177.5194 11 I 4.0016 8.7362 120.6633 62.1799 37.8848 176.5974 12 A 3.9743 7.7432 123.0640 55.2588 18.1069 179.7009 13 R 3.8587 8.0625 113.9679 59.8605 29.1577 178.6532 14 E 3.9757 8.2186 119.6458 58.2142 29.7794 178.6385 15 L 4.1048 7.7234 119.1005 57.6230 41.6920 179.0610 16 K 4.1071 8.3378 119.3119 59.9049 32.2600 178.7747 17 T 4.0721 7.6479 115.7865 64.8309 68.4741 174.5687 18 T 4.2090 7.7613 116.7290 61.1328 68.2432 174.6888 19 R 4.7714 7.7518 126.3759 56.5157 30.6096 176.0651 20 Q 4.1966 7.2798 120.3487 57.8705 27.3245 174.9469 21 N 4.2880 7.8676 110.9016 54.0611 37.8862 175.7668 22 V 4.2768 6.9627 122.0944 62.5014 30.2305 177.0613 23 S 4.0236 9.1454 111.4381 61.5167 63.4332 174.9341 24 A 3.7147 7.9175 120.4657 53.0313 15.8878 177.9731 25 I 3.9458 7.1779 124.0289 63.8475 37.5138 178.5438 26 E 3.7425 7.5342 119.3249 59.2341 29.1152 179.0626 27 R 3.9074 7.6490 116.6248 59.3623 30.6081 178.1016 28 K 4.0551 8.4782 118.4342 59.4621 32.2322 178.6624 29 A 4.0534 8.3090 121.1483 56.1231 18.1472 179.7423 30 M 4.2181 8.1597 114.9928 57.7075 32.5871 177.4701 31 E 4.3508 8.5612 119.9496 57.4046 29.4472 175.9023 32 N 4.2106 8.3355 109.3083 53.5228 36.9243 175.0589 33 I 3.8295 7.1444 115.9194 62.2595 38.3046 173.4534 34 E 4.8914 7.5565 124.9102 55.0809 37.4300 176.3525 35 K 4.6695 7.3031 116.3687 56.7979 32.6077 173.2079 36 S 4.5904 7.7664 120.4433 60.0034 69.1476 176.0221 37 R 3.7304 7.5063 119.8315 58.9358 30.6460 177.7020 38 N 4.3596 8.1934 113.4166 55.4747 36.3065 176.2989 39 T 4.3173 7.3491 114.4200 64.6801 68.3307 175.3157 40 L 4.0253 8.0591 128.0530 59.2695 40.8347 179.1190 41 D 4.4124 8.0558 118.4791 57.4195 39.8599 177.5343 42 F 4.2766 8.2957 121.4001 61.3970 39.1456 177.2350 43 V 3.5045 7.9989 118.1367 63.7197 31.5331 178.6352 44 K 3.9978 8.0102 119.8513 59.3017 31.6452 178.7048 45 S 4.0449 7.2042 111.7829 61.4540 62.2191 175.3155 46 L 3.8806 7.0491 118.5516 57.9568 41.6111 179.3343 47 K 3.8095 7.6017 114.3633 57.3938 30.1464 176.0247 48 S 4.4040 7.8131 112.7754 57.3477 63.9051 173.0387 49 P 4.5232 0.0000 0.0000 62.4827 32.1794 175.4669 50 V 5.1934 8.6339 118.8104 62.6240 35.6355 172.8455 51 R 4.9941 8.2776 122.6436 55.3710 32.9070 173.8602 52 I 4.6508 8.9728 118.8684 59.6512 41.2801 173.3077 53 L 4.8447 8.4779 125.8272 53.8628 44.1054 174.7497 54 C 4.9396 8.9224 124.8447 57.9510 34.3791 172.9255 55 R 5.3215 8.2676 123.3496 53.8238 33.8311 174.5721 56 R 3.8067 8.7595 115.5005 57.3002 29.3901 177.9033 57 G 3.5619 8.5253 112.7472 48.7024 0.0000 174.7187 58 D 3.9113 8.1787 117.8717 56.5524 41.1851 176.4314 59 T 4.6060 8.8756 112.7125 61.3874 68.2195 174.8091 60 L 4.0094 8.7338 124.6840 58.8907 41.5774 178.5361 61 D 4.3531 8.0856 118.2968 56.8137 39.2583 178.2738 62 E 4.0045 7.7714 119.9056 58.5680 29.5590 178.6514 63 I 3.7833 9.3366 119.9733 64.2195 36.9978 178.3943 64 I 3.6609 7.9606 121.2169 64.2953 36.8716 178.3396 65 K 3.9531 7.5260 120.3558 59.5527 32.0854 179.1770 66 R 3.9986 8.0259 118.4826 58.8636 29.8509 179.0447 67 L 4.0799 8.6481 120.1622 57.6453 41.6411 179.0863 68 L 3.9360 8.0021 119.8839 59.4079 39.8761 179.2381 69 E 3.9589 7.8091 117.5493 58.5482 29.3447 178.5924 70 E 4.3056 7.4005 116.1363 58.8161 30.4023 178.0337 71 S 4.3421 8.7801 116.2393 60.5245 63.0682 175.8287 72 N 4.1695 8.6582 120.3119 56.8541 38.4097 177.2958 73 K 4.0304 8.0198 118.8385 58.7865 32.5328 177.4893 74 E 4.5425 8.6795 115.2589 55.6736 29.9456 175.2986 75 G 4.4253 7.3139 108.8653 44.2294 0.0000 172.1773 76 I 4.0747 8.0058 118.3662 59.4832 39.0256 174.6518 77 H 4.0904 8.7396 125.9457 56.5212 29.0889 174.2113 78 V 4.4308 9.9079 126.3201 60.8621 34.7593 175.6243 79 I 4.4907 7.9075 118.3470 60.4461 37.5624 174.8151 80 H 4.7425 7.7894 116.5982 56.3453 30.3987 175.2464 81 D 5.0255 8.1160 119.9290 52.5744 44.4167 177.6455 82 S 4.0776 8.5147 114.7701 61.7308 62.1669 176.4579 83 I 3.8858 7.7630 122.2306 64.4523 36.4105 178.1819 84 T 4.4807 7.8551 116.1815 66.2552 68.3933 176.8276 85 L 4.3051 8.7338 121.4410 57.7204 41.6584 179.3580 86 A 3.9907 7.9191 120.7520 55.0831 18.2222 179.5627 87 F 3.8459 8.0191 117.6780 61.5162 39.0644 177.3918 88 L 4.2228 9.5605 119.2068 57.9017 41.3091 179.7552 89 I 3.7351 8.6581 120.2730 64.7214 37.0274 178.5587 90 R 4.2263 8.2191 120.5165 59.1658 29.5923 178.8348 91 E 3.9553 7.7613 117.7517 58.9000 29.6894 178.6386 92 K 4.4483 7.2986 114.0357 56.2060 34.5188 177.1357 93 A 4.4582 8.1340 119.5366 52.4496 21.0953 176.7371 94 S 4.5506 8.0959 111.7915 58.0250 63.6214 175.7508 95 H 4.3326 7.4726 118.5498 56.0076 28.5993 175.0861 96 R 4.4208 8.1060 127.4596 55.1954 31.1230 175.8851 97 I 4.5065 8.0645 123.1630 59.1693 40.3032 175.2244 98 V 4.2358 7.9578 120.4983 60.7619 32.8045 174.9130 99 H 5.1626 8.5403 118.6653 54.0170 31.8370 173.2277 100 R 4.7168 8.3481 115.6266 54.8635 31.9904 174.6778 101 V 4.4589 8.3193 121.0088 59.7100 34.0572 174.8707 102 V 4.6064 7.5573 120.4679 58.2233 31.0762 173.0906 103 K 4.2048 7.6204 133.9971 57.1020 35.7181 173.6567 104 S 4.7862 7.7732 110.7027 56.3778 66.4373 172.3027 105 D 4.8396 8.5638 120.5396 53.6478 42.4535 174.7379 106 F 5.6357 9.2038 126.3199 57.0288 43.7537 172.7644 107 E 4.9864 8.2175 120.0614 54.9603 34.1749 174.6921 108 I 4.8978 8.8331 123.3955 59.9284 41.9318 174.5153 109 G 4.5798 8.9120 111.1105 45.6487 0.0000 171.9979 110 V 5.0534 9.0445 120.0069 60.9440 34.4646 174.9005 111 T 4.6551 8.2969 109.7055 62.3361 70.7591 175.7706 112 R 4.7139 7.9389 117.3584 56.2110 36.1946 176.2697 113 D 5.6930 7.7782 127.9029 55.8047 39.6765 177.7941 114 G 3.7196 7.1509 108.8878 47.3073 0.0000 172.9149 115 E 4.2654 7.8305 117.7070 54.8455 30.7360 175.9424 116 I 5.1991 8.0853 115.7926 58.9816 41.5388 174.2668 117 I 4.8085 8.9663 115.4673 59.0544 40.5383 174.8073 118 V 5.2310 7.9014 122.8470 59.3582 34.7557 173.4742 119 D 4.3842 7.4367 119.7124 53.7518 44.6983 175.2819 120 L 5.4424 8.3197 117.6105 53.9723 40.7258 172.2126 121 N 4.2413 8.2175 123.0480 52.9721 39.8963 173.8139 122 S 4.1450 8.3542 117.0823 58.8554 62.3730 173.6528 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 4.42 0.00 2.01 1.97 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 R 7.46 4.19 0.00 1.75 1.75 0.00 3.22 0.00 0.00 3.21 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.75 0.00 3 E 8.69 4.74 0.00 1.89 1.67 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 2.13 2.23 0.00 4 R 7.64 4.36 0.00 1.07 0.66 0.00 3.39 0.00 0.00 3.24 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.34 0.00 5 G 7.76 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 0.00 0.00 0.00 6 W 5.24 4.62 0.00 3.38 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.28 4.52 0.00 3.91 3.78 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 8 Q 8.06 3.43 0.00 2.24 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.14 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 9 K 7.08 4.21 0.00 1.77 1.70 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.37 7.81 10 K 7.74 4.52 0.00 1.77 1.45 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.45 7.81 11 I 8.74 4.00 2.24 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 1.58 0.57 0.92 0.00 0.00 12 A 7.74 3.97 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 13 R 8.06 3.86 0.00 2.05 2.22 0.00 2.98 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.70 0.00 14 E 8.22 3.98 0.00 1.94 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.39 0.00 15 L 7.72 4.10 0.00 1.89 1.63 1.11 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.34 4.11 0.00 1.82 1.93 0.00 1.60 0.00 0.00 1.56 0.00 0.00 3.02 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.44 7.81 17 T 7.65 4.07 4.34 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 1.20 0.00 0.00 18 T 7.76 4.21 4.39 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 1.16 0.00 0.00 19 R 7.75 4.77 0.00 1.88 1.86 0.00 3.03 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.39 0.00 20 Q 7.28 4.20 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 6.26 0.00 0.00 0.00 0.00 0.00 2.41 2.36 0.00 21 N 7.87 4.29 0.00 2.86 2.86 0.00 0.00 7.13 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 22 V 6.96 4.28 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 0.87 0.00 0.00 0.98 0.00 0.00 23 S 9.15 4.02 0.00 3.94 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 24 A 7.92 3.71 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 25 I 7.18 3.95 1.87 0.00 0.00 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 1.68 0.66 1.17 0.00 0.00 26 E 7.53 3.74 0.00 1.56 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 27 R 7.65 3.91 0.00 1.74 1.92 0.00 3.28 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.78 0.00 28 K 8.48 4.06 0.00 1.89 1.87 0.00 1.79 0.00 0.00 1.67 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.75 7.81 29 A 8.31 4.05 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 M 8.16 4.22 0.00 2.07 2.49 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.67 0.00 31 E 8.56 4.35 0.00 2.12 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 32 N 8.34 4.21 0.00 2.82 2.87 0.00 0.00 7.12 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 I 7.14 3.83 2.14 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.84 0.96 0.00 0.00 34 E 7.56 4.89 0.00 1.96 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 0.00 2.21 2.27 0.00 35 K 7.30 4.67 0.00 1.82 1.79 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.16 1.22 7.81 36 S 7.77 4.59 0.00 3.83 3.79 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 37 R 7.51 3.73 0.00 1.82 1.99 0.00 3.42 0.00 0.00 3.15 7.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 38 N 8.19 4.36 0.00 3.11 3.00 0.00 0.00 7.05 7.24 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 39 T 7.35 4.32 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 40 L 8.06 4.03 0.00 1.82 1.87 0.98 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 41 D 8.06 4.41 0.00 2.78 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 42 F 8.30 4.28 0.00 3.15 3.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 8.00 3.50 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 0.90 0.00 0.00 0.81 0.00 0.00 44 K 8.01 4.00 0.00 1.98 1.89 0.00 1.73 0.00 0.00 1.57 0.00 0.00 2.87 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.44 1.62 7.81 45 S 7.20 4.04 0.00 3.91 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 46 L 7.05 3.88 0.00 1.83 1.67 0.81 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 47 K 7.60 3.81 0.00 2.07 1.84 0.00 1.81 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.37 1.43 7.81 48 S 7.81 4.40 0.00 3.82 3.76 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 49 P 0.00 4.52 0.00 2.16 2.03 0.00 3.36 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 1.97 1.89 0.00 50 V 8.63 5.19 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 0.70 0.00 0.00 1.02 0.00 0.00 51 R 8.28 4.99 0.00 1.80 1.72 0.00 3.27 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.59 0.00 52 I 8.97 4.65 1.88 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 1.11 0.38 0.91 0.00 0.00 53 L 8.48 4.84 0.00 1.93 1.59 1.08 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 54 C 8.92 4.94 0.00 3.14 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 55 R 8.27 5.32 0.00 1.71 1.85 0.00 3.31 0.00 0.00 3.30 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 56 R 8.76 3.81 0.00 1.89 2.11 0.00 3.00 0.00 0.00 3.35 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.77 0.00 57 G 8.53 3.56 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 0.00 58 D 8.18 3.91 0.00 2.65 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 59 T 8.88 4.61 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 60 L 8.73 4.01 0.00 1.86 1.67 0.96 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 61 D 8.09 4.35 0.00 2.92 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 62 E 7.77 4.00 0.00 2.09 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 0.00 2.31 2.50 0.00 63 I 9.34 3.78 1.98 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.65 0.99 0.00 0.00 64 I 7.96 3.66 2.11 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 1.51 0.72 1.05 0.00 0.00 65 K 7.53 3.95 0.00 1.79 1.80 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.48 7.81 66 R 8.03 4.00 0.00 2.03 1.96 0.00 3.35 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 67 L 8.65 4.08 0.00 1.85 1.72 0.95 -0.38 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 68 L 8.00 3.94 0.00 1.87 2.09 0.86 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 69 E 7.81 3.96 0.00 2.10 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 2.44 2.54 0.00 70 E 7.40 4.31 0.00 2.12 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 0.00 2.33 2.54 0.00 71 S 8.78 4.34 0.00 3.80 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 72 N 8.66 4.17 0.00 2.77 2.76 0.00 0.00 7.18 5.42 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 73 K 8.02 4.03 0.00 1.98 1.85 0.00 1.60 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.55 7.81 74 E 8.68 4.54 0.00 2.07 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 2.40 2.21 0.00 75 G 7.31 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 0.00 0.00 0.00 0.00 76 I 8.01 4.07 1.87 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 1.32 0.79 0.91 0.00 0.00 77 H 8.74 4.09 0.00 3.12 3.26 0.00 5.92 0.00 0.00 0.00 0.00 6.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 V 9.91 4.43 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 0.73 0.00 0.00 0.85 0.00 0.00 79 I 7.91 4.49 1.85 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 1.38 0.79 0.91 0.00 0.00 80 H 7.79 4.74 0.00 3.17 3.25 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 D 8.12 5.03 0.00 2.75 2.60 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 82 S 8.51 4.08 0.00 3.93 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 83 I 7.76 3.89 1.94 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 1.68 1.03 0.96 0.00 0.00 84 T 7.86 4.48 4.49 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 1.06 0.00 0.00 85 L 8.73 4.31 0.00 1.99 1.77 1.02 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.92 3.99 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 87 F 8.02 3.85 0.00 3.44 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 88 L 9.56 4.22 0.00 2.04 1.76 1.08 0.44 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 89 I 8.66 3.74 1.99 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 1.54 1.00 0.91 0.00 0.00 90 R 8.22 4.23 0.00 1.87 1.83 0.00 2.84 0.00 0.00 3.14 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.70 0.00 91 E 7.76 3.96 0.00 2.14 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 2.32 2.53 0.00 92 K 7.30 4.45 0.00 1.94 1.92 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.56 1.44 7.81 93 A 8.13 4.46 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.10 4.55 0.00 3.92 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 95 H 7.47 4.33 0.00 3.15 3.16 0.00 5.70 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 96 R 8.11 4.42 0.00 1.90 1.89 0.00 3.15 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.88 0.00 97 I 8.06 4.51 1.80 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 1.49 0.52 0.98 0.00 0.00 98 V 7.96 4.24 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 0.85 0.00 0.00 0.99 0.00 0.00 99 H 8.54 5.16 0.00 3.21 3.28 0.00 5.86 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 R 8.35 4.72 0.00 1.89 1.91 0.00 3.20 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 101 V 8.32 4.46 1.74 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 0.65 0.00 0.00 0.78 0.00 0.00 102 V 7.56 4.61 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 0.69 0.00 0.00 0.91 0.00 0.00 103 K 7.62 4.20 0.00 1.63 1.76 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.16 1.30 7.81 104 S 7.77 4.79 0.00 3.85 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 0.00 105 D 8.56 4.84 0.00 2.81 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 0.00 106 F 9.20 5.64 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 0.00 107 E 8.22 4.99 0.00 1.72 1.64 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 2.19 2.25 0.00 108 I 8.83 4.90 1.86 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.56 0.90 0.00 0.00 109 G 8.91 4.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 V 9.04 5.05 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 0.84 0.00 0.00 0.97 0.00 0.00 111 T 8.30 4.66 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 1.20 0.00 0.00 112 R 7.94 4.71 0.00 1.76 1.92 0.00 3.36 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 113 D 7.78 5.69 0.00 2.78 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 0.00 114 G 7.15 3.72 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 0.00 0.00 0.00 115 E 7.83 4.27 0.00 2.00 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 0.00 2.38 2.23 0.00 116 I 8.09 5.20 1.98 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 1.40 0.54 0.91 0.00 0.00 117 I 8.97 4.81 1.82 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 1.25 0.92 0.88 0.00 0.00 118 V 7.90 5.23 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 0.82 0.00 0.00 0.38 0.00 0.00 119 D 7.44 4.38 0.00 2.64 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 0.00 0.00 0.00 0.00 120 L 8.32 5.44 0.00 1.99 1.79 1.03 0.87 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 0.00 121 N 8.22 4.24 0.00 2.89 2.89 0.00 0.00 7.09 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 0.00 122 S 8.35 4.14 0.00 3.82 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