NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4339 8.3049 120.3440 55.6555 33.3832 174.3442 2 D 4.5551 8.1756 122.4389 51.3515 45.4334 173.7890 3 L 4.5202 8.9433 121.2086 55.5625 41.5862 177.8112 4 S 3.8448 8.1513 112.4706 58.8550 60.7606 170.8487 5 A 3.8289 7.6579 121.6567 52.6406 16.5539 179.3276 6 L 3.7959 7.3350 120.5955 60.2165 40.4998 177.4138 7 R 4.6985 6.7531 114.2310 54.8427 32.6370 173.1834 8 V 4.4215 7.3656 121.1658 64.2887 33.1365 176.3612 9 E 4.0302 8.2482 115.5120 59.4512 29.4186 178.7030 10 E 4.0760 8.1158 118.9361 59.3665 29.7544 179.1336 11 V 3.5399 7.8347 117.7040 65.9859 31.5591 177.3790 12 Q 3.4256 8.2408 119.4674 59.4289 28.8621 178.5129 13 N 4.3782 7.8905 117.1540 56.1505 38.1471 177.6079 14 V 3.6374 7.6898 119.8450 65.7441 31.5952 178.1158 15 I 3.8224 7.4228 119.3491 63.7840 37.2410 177.6113 16 N 4.2233 8.0666 117.3751 56.6749 38.6601 176.7132 17 A 3.9694 7.6279 120.6288 55.3379 18.8117 178.7905 18 M 4.1030 7.7198 116.2287 59.0575 32.4011 178.2019 19 Q 4.0290 8.0773 119.3392 59.2410 29.0433 178.4622 20 K 4.5406 7.8071 120.4569 58.9866 31.7900 179.3691 21 I 3.7442 7.5262 119.3183 63.0345 37.0108 176.7190 22 L 4.3904 7.2843 118.2980 54.2425 42.6169 176.4159 23 E 4.3243 7.4699 122.2288 55.2519 31.7385 173.7379 24 C 4.8096 8.2939 117.4685 57.3412 33.5077 172.2469 25 P 4.6420 0.0000 0.0000 62.4956 31.3516 175.5485 26 I 4.5036 7.5306 110.8405 62.6716 40.2759 175.7000 27 C 4.5115 8.0417 112.3128 56.3123 30.3594 173.2005 28 L 3.7397 7.7733 118.7270 56.0560 38.7463 173.6224 29 E 4.4777 7.9807 116.9518 54.0489 31.3743 174.4398 30 L 3.8232 8.5667 126.9200 54.2328 41.5583 176.2312 31 I 3.7071 8.1879 118.6213 61.6569 37.7817 175.7042 32 K 4.3555 8.8331 122.7272 57.9057 33.4958 177.0645 33 E 4.7530 7.7321 118.5306 53.4236 28.3786 173.0491 34 P 5.0547 0.0000 0.0000 62.8993 32.9322 176.8530 35 V 4.9620 8.6147 116.1101 59.3224 36.7904 174.0991 36 S 5.3598 8.5912 115.0898 57.0507 65.2728 174.3650 37 T 4.5076 9.2661 115.8930 60.1018 69.8166 175.5403 38 K 3.9862 8.6235 123.6308 59.6805 32.0441 176.4422 39 C 4.4938 8.0894 116.9966 58.8827 31.3927 172.0652 40 D 4.4171 8.2714 115.1080 55.2092 39.9779 172.7510 41 H 5.1068 7.8824 112.6097 53.9316 32.0351 173.8264 42 I 5.6690 8.0879 119.8262 59.6124 39.8809 174.9707 43 F 4.6124 8.4672 121.8138 56.5871 44.0154 174.2703 44 C 4.5922 8.8063 115.1376 60.0169 28.2084 173.9717 45 K 4.1205 8.0462 122.9867 57.9286 31.5620 177.3725 46 F 3.9831 7.9732 119.7135 61.2355 39.5251 176.9741 47 C 4.1341 8.4823 116.1566 63.2882 27.9730 175.7871 48 M 3.9459 7.9582 119.7365 57.6153 31.2638 178.5302 49 L 3.7020 7.7241 120.7997 58.1290 42.1768 179.2816 50 K 4.0594 7.7770 117.9514 59.2929 31.9928 179.0034 51 L 3.7547 7.9642 120.6342 58.1205 41.6817 179.0486 52 L 3.9289 7.6157 117.9957 57.2227 41.6193 178.3581 53 N 4.5914 7.4432 113.9889 55.4163 38.9663 177.1322 54 Q 4.1258 8.7289 119.8284 56.8686 29.1338 176.7804 55 K 4.4985 6.9630 119.2849 53.6811 34.7066 175.4030 56 K 3.8603 8.6083 125.2109 59.8226 32.3264 175.1264 57 G 3.8063 8.8496 111.7215 43.2426 0.0000 169.9016 58 P 4.3610 0.0000 0.0000 62.6303 31.8610 176.4601 59 S 4.1081 7.9336 115.2370 60.2130 62.6283 172.1522 60 Q 3.2393 8.0798 124.7977 55.0605 26.2931 172.3570 61 C 3.9958 8.6188 123.8660 59.0438 31.3205 172.5576 62 P 4.5412 0.0000 0.0000 64.4226 31.3399 177.4596 63 L 4.1568 7.8790 118.8264 56.8172 41.8969 176.2148 64 C 4.6925 7.9218 112.0339 58.7906 30.5504 174.4022 65 K 4.7905 7.5249 129.0721 56.3044 34.4011 174.7775 66 N 4.4776 7.5433 116.3885 52.2190 38.4728 173.9481 67 D 5.5148 8.1236 129.1375 54.7035 43.1283 176.4685 68 I 4.6069 6.8465 117.7938 60.9388 41.7372 175.2177 69 T 4.6057 8.4870 109.8357 61.5440 69.3095 171.1594 70 K 3.8289 7.3263 123.1577 57.7481 32.6077 177.0157 71 R 4.3561 7.6222 122.6907 56.4031 30.1142 176.3920 72 S 4.5106 7.7122 115.0088 60.0596 65.2071 175.5495 73 L 5.0479 7.3567 117.4584 55.3673 42.4625 175.4945 74 Q 4.5961 8.2186 115.9844 54.7142 33.1681 174.0164 75 E 4.3657 8.9019 125.4435 56.7238 30.5998 175.7783 76 S 4.5511 7.6035 118.7325 58.9934 68.1102 175.5248 77 T 4.4962 8.6483 116.6420 62.1495 69.1968 172.8072 78 R 4.3310 8.5258 122.8339 57.6210 31.9921 177.0978 79 F 4.7512 8.1019 113.3869 57.8695 39.5182 177.8680 80 S 4.4524 7.9331 115.3113 61.1385 62.5407 175.3345 81 Q 4.3055 7.8922 121.4617 58.3575 28.3649 178.9898 82 L 4.1070 7.9192 119.6940 57.5307 41.5898 179.4433 83 V 3.6996 7.9092 118.4048 65.7948 31.2990 178.0823 84 E 3.9592 8.0783 117.8337 59.5537 29.5290 178.8763 85 E 4.0498 8.5606 119.0474 59.2963 29.4807 179.1919 86 L 3.9214 7.7187 120.4202 58.1866 42.2752 178.7248 87 L 3.9411 7.7460 119.9127 58.2341 41.7406 179.1712 88 K 4.0559 7.8609 117.9658 59.2426 31.6345 179.4207 89 I 3.7654 7.6928 120.3412 64.1708 36.8190 178.5978 90 I 3.4737 7.4206 120.3258 64.4542 36.7650 177.9894 91 C 4.1051 7.6461 115.6731 62.7606 28.0421 175.8114 92 A 4.1312 7.8584 122.4238 54.8320 17.9379 179.3511 93 F 4.0325 7.8569 118.8953 61.8022 39.6005 177.5464 94 Q 4.1118 8.0347 117.2184 58.4081 28.1539 178.4590 95 L 3.8722 7.3314 121.0051 58.4498 42.2042 177.6561 96 D 4.4845 7.7819 115.7700 56.2489 41.6181 177.2796 97 T 3.6302 7.1098 109.8810 64.8672 68.8722 176.2705 98 G 4.1463 7.7330 109.1869 44.9264 0.0000 173.4373 99 L 4.4308 7.2438 118.5116 53.1362 42.7376 176.5419 100 E 4.3907 8.4444 120.3283 57.1977 30.1456 175.0757 101 Y 4.8978 8.1057 120.3789 58.3766 46.8100 174.0110 102 A 4.5858 8.0091 118.6817 53.6272 24.7332 175.6264 103 N 4.5702 8.2543 115.9865 53.6569 38.7353 175.1075 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 4.43 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.53 0.00 2 D 8.18 4.56 0.00 2.68 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.94 4.52 0.00 1.77 1.79 0.88 0.52 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 4 S 8.15 3.84 0.00 4.09 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 5 A 7.66 3.83 1.39 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 0.00 0.00 6 L 7.33 3.80 0.00 1.90 1.85 0.93 0.79 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 7 R 6.75 4.70 0.00 1.83 1.87 0.00 3.24 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.42 0.00 8 V 7.37 4.42 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 1.32 0.00 0.00 0.91 0.00 0.00 9 E 8.25 4.03 0.00 2.19 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 0.00 2.32 2.43 0.00 10 E 8.12 4.08 0.00 2.03 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 2.42 2.33 0.00 11 V 7.83 3.54 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 0.91 0.00 0.00 1.10 0.00 0.00 12 Q 8.24 3.43 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.60 0.00 0.00 0.00 0.00 0.00 2.32 2.70 0.00 13 N 7.89 4.38 0.00 2.94 2.84 0.00 0.00 6.68 7.56 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 14 V 7.69 3.64 2.16 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 1.01 0.00 0.00 0.98 0.00 0.00 15 I 7.42 3.82 1.97 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 1.44 0.62 0.74 0.00 0.00 16 N 8.07 4.22 0.00 2.80 2.77 0.00 0.00 6.99 9.28 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 17 A 7.63 3.97 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 M 7.72 4.10 0.00 2.13 2.31 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 2.63 2.59 0.00 19 Q 8.08 4.03 0.00 2.50 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.37 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 20 K 7.81 4.54 0.00 2.09 1.80 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.40 1.39 7.81 21 I 7.53 3.74 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 1.52 0.71 0.92 0.00 0.00 22 L 7.28 4.39 0.00 1.62 1.63 1.05 0.97 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 23 E 7.47 4.32 0.00 2.03 1.75 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 2.21 2.18 0.00 24 C 8.29 4.81 0.00 3.03 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 25 P 0.00 4.64 0.00 1.83 1.76 0.00 3.37 0.00 0.00 3.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 1.13 0.00 26 I 7.53 4.50 1.94 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.57 1.08 0.00 0.00 27 C 8.04 4.51 0.00 3.09 3.09 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 0.00 0.00 0.00 28 L 7.77 3.74 0.00 1.78 1.75 0.86 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 29 E 7.98 4.48 0.00 1.92 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 2.34 2.20 0.00 30 L 8.57 3.82 0.00 1.59 1.69 0.99 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 31 I 8.19 3.71 1.89 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 1.56 0.73 0.97 0.00 0.00 32 K 8.83 4.36 0.00 1.78 1.90 0.00 1.72 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.44 7.81 33 E 7.73 4.75 0.00 1.90 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 2.27 2.32 0.00 34 P 0.00 5.05 0.00 2.26 2.34 0.00 3.93 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 2.16 2.10 0.00 35 V 8.61 4.96 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 1.14 0.00 0.00 36 S 8.59 5.36 0.00 3.92 4.02 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 0.00 0.00 0.00 37 T 9.27 4.51 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 1.16 0.00 0.00 38 K 8.62 3.99 0.00 1.72 2.15 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.46 7.81 39 C 8.09 4.49 0.00 3.04 3.04 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 40 D 8.27 4.42 0.00 2.75 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 41 H 7.88 5.11 0.00 3.31 3.39 0.00 5.63 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.09 5.67 1.70 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.09 0.97 0.00 0.00 43 F 8.47 4.61 0.00 2.96 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 44 C 8.81 4.59 0.00 3.07 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 45 K 8.05 4.12 0.00 2.18 1.96 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.99 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 1.43 7.81 46 F 7.97 3.98 0.00 3.19 3.09 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 0.00 0.00 0.00 47 C 8.48 4.13 0.00 3.33 3.35 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 48 M 7.96 3.95 0.00 1.86 1.96 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.75 0.00 49 L 7.72 3.70 0.00 1.09 0.94 0.20 0.43 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 50 K 7.78 4.06 0.00 1.95 1.88 0.00 2.01 0.00 0.00 2.02 0.00 0.00 3.28 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.63 7.81 51 L 7.96 3.75 0.00 1.91 1.64 0.97 0.67 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 52 L 7.62 3.93 0.00 1.85 1.65 0.83 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 53 N 7.44 4.59 0.00 2.82 2.85 0.00 0.00 7.20 7.51 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 54 Q 8.73 4.13 0.00 2.03 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.61 0.00 0.00 0.00 0.00 0.00 2.41 2.52 0.00 55 K 6.96 4.50 0.00 1.77 1.62 0.00 1.82 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.50 7.81 56 K 8.61 3.86 0.00 1.78 1.77 0.00 1.76 0.00 0.00 1.70 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.44 7.81 57 G 8.85 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.36 0.00 2.22 2.19 0.00 3.78 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 59 S 7.93 4.11 0.00 3.90 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 60 Q 8.08 3.24 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.00 0.00 0.00 0.00 0.00 0.00 2.25 2.38 0.00 61 C 8.62 4.00 0.00 2.98 2.91 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 62 P 0.00 4.54 0.00 2.26 2.21 0.00 4.07 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.18 0.00 63 L 7.88 4.16 0.00 1.38 1.57 0.87 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 64 C 7.92 4.69 0.00 2.96 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 65 K 7.52 4.79 0.00 1.75 1.81 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.21 1.19 7.81 66 N 7.54 4.48 0.00 2.87 2.77 0.00 0.00 5.93 8.06 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 67 D 8.12 5.51 0.00 2.75 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 68 I 6.85 4.61 1.77 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.76 0.77 0.00 0.00 69 T 8.49 4.61 4.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 70 K 7.33 3.83 0.00 1.91 1.77 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.75 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.33 7.81 71 R 7.62 4.36 0.00 1.77 1.89 0.00 3.31 0.00 0.00 3.20 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 72 S 7.71 4.51 0.00 3.77 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 73 L 7.36 5.05 0.00 1.71 1.65 0.89 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 74 Q 8.22 4.60 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.15 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 75 E 8.90 4.37 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 2.33 2.38 0.00 76 S 7.60 4.55 0.00 3.83 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 77 T 8.65 4.50 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 1.22 0.00 0.00 78 R 8.53 4.33 0.00 1.71 1.81 0.00 3.02 0.00 0.00 3.14 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.54 0.00 79 F 8.10 4.75 0.00 3.13 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 80 S 7.93 4.45 0.00 3.94 3.85 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 81 Q 7.89 4.31 0.00 2.13 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.47 6.67 0.00 0.00 0.00 0.00 0.00 2.46 2.32 0.00 82 L 7.92 4.11 0.00 1.88 1.87 0.67 0.88 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 83 V 7.91 3.70 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 1.06 0.00 0.00 1.05 0.00 0.00 84 E 8.08 3.96 0.00 2.07 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 2.41 2.42 0.00 85 E 8.56 4.05 0.00 2.20 2.01 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 2.33 2.37 0.00 86 L 7.72 3.92 0.00 1.95 1.85 0.92 0.58 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 87 L 7.75 3.94 0.00 1.92 1.73 0.97 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 88 K 7.86 4.06 0.00 1.97 1.83 0.00 1.73 0.00 0.00 1.64 0.00 0.00 2.96 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.68 1.62 7.81 89 I 7.69 3.77 1.92 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 1.51 1.06 0.87 0.00 0.00 90 I 7.42 3.47 1.47 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 1.15 -0.28 0.00 0.00 91 C 7.65 4.11 0.00 3.07 2.99 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 0.00 0.00 0.00 92 A 7.86 4.13 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 F 7.86 4.03 0.00 3.03 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Q 8.03 4.11 0.00 2.11 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.62 0.00 0.00 0.00 0.00 0.00 2.60 2.58 0.00 95 L 7.33 3.87 0.00 1.75 1.69 0.91 1.53 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 96 D 7.78 4.48 0.00 2.61 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 97 T 7.11 3.63 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 0.18 0.00 0.00 98 G 7.73 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 0.00 0.00 0.00 99 L 7.24 4.43 0.00 1.87 1.80 0.81 1.50 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 0.00 100 E 8.44 4.39 0.00 2.02 1.97 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 2.36 2.34 0.00 101 Y 8.11 4.90 0.00 2.87 2.92 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 0.00 102 A 8.01 4.59 1.16 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 0.00 0.00 103 N 8.25 4.57 0.00 2.80 2.78 0.00 0.00 6.79 7.60 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