NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3728 8.3049 120.3482 55.0060 33.3305 175.2654 2 L 4.1206 8.3652 125.6752 54.2190 42.4650 174.8691 3 T 4.4609 8.3413 112.8872 62.9579 70.5326 173.7996 4 D 4.6992 7.6850 119.4948 50.8678 42.6213 172.8839 5 P 4.1621 0.0000 0.0000 65.4409 31.6364 177.2305 6 I 3.4214 7.7794 117.4239 64.6899 36.8702 178.0697 7 A 3.9146 7.8856 121.0199 54.5938 18.2444 178.9458 8 D 4.2185 8.0109 116.9013 57.9674 41.2546 178.2100 9 M 3.8903 8.4682 118.6879 58.6891 32.4246 177.9756 10 L 3.7826 7.9070 119.3271 58.0751 41.7030 179.6208 11 T 4.0356 8.1476 109.1589 63.8649 69.1777 176.9897 12 R 3.9449 8.2670 121.3671 59.4905 30.1093 178.7251 13 I 3.6143 7.7823 118.9854 64.4108 36.9511 178.1540 14 R 3.7849 7.4449 117.9300 59.8060 30.0520 178.0267 15 N 4.3979 9.1195 116.8073 56.2721 38.5450 176.8900 16 A 3.9498 8.1208 122.4956 55.6621 18.4899 179.5577 17 T 4.2676 8.0416 108.9965 64.4829 68.2960 176.2370 18 R 3.8240 7.5607 118.7044 57.6495 30.1256 178.0792 19 V 4.1827 7.4839 110.6964 60.0079 32.3148 174.8895 20 Y 3.0375 7.2851 115.0082 58.6057 35.6446 170.5836 21 K 4.2616 8.1333 119.0808 56.8029 33.4258 175.9626 22 E 4.6139 8.9120 118.2052 58.0255 30.8222 174.5715 23 S 5.2729 7.7119 112.0159 58.4025 66.3648 172.7099 24 T 4.5226 7.7482 118.7360 62.3317 70.1860 173.0620 25 D 4.9075 8.6201 129.7529 54.4995 42.0340 176.6437 26 V 4.6179 8.3800 121.0221 59.5693 35.0300 172.1775 27 P 3.4225 0.0000 0.0000 62.8738 31.7509 175.3819 28 A 4.4833 7.9684 126.5117 51.1452 19.7397 177.1837 29 S 4.5290 8.3793 115.9655 55.6788 66.4080 174.5969 30 R 3.9149 9.0734 124.5034 59.6184 29.6078 178.2261 31 F 4.3712 8.3212 117.9826 61.7887 39.5322 176.5931 32 K 3.6396 9.1564 118.3998 59.6634 31.9918 178.4389 33 E 3.5919 8.4814 119.3750 59.8007 29.3824 179.1710 34 E 4.0716 8.4606 118.1040 59.3178 29.3478 179.4367 35 I 3.7741 8.1746 120.7566 64.2410 36.5867 178.3196 36 L 3.9221 7.7159 120.0680 58.7008 39.9662 179.0529 37 R 4.2986 7.7414 119.5393 59.7028 30.0420 178.6050 38 I 3.8487 7.5341 119.4867 64.3497 36.9630 178.1023 39 L 4.1699 8.3582 120.4265 58.2212 41.2778 178.6149 40 A 4.2323 9.9706 120.1785 54.8210 18.0028 179.6713 41 R 3.8120 8.1518 117.8714 59.1413 30.9345 178.6774 42 E 4.1073 8.0895 116.7919 57.6296 29.4819 178.0025 43 G 3.8975 9.4248 106.6423 45.2249 0.0000 174.3303 44 F 4.4911 7.6336 118.3513 58.8405 39.4325 176.1608 45 I 4.1850 7.9842 114.4286 61.2473 38.1576 177.5762 46 K 4.5821 7.2028 123.7806 53.5806 33.8536 177.0293 47 G 4.2929 7.5725 104.0862 48.1554 0.0000 170.4011 48 Y 5.6252 8.5282 119.5181 57.2155 40.5284 173.2451 49 E 4.5773 8.9573 115.7027 55.0885 33.0842 175.3536 50 R 4.7058 9.1861 121.2845 55.6286 31.2065 176.7188 51 V 4.8763 8.1134 123.1196 61.5089 33.4165 170.2790 52 D 4.8587 8.8607 126.5769 54.7273 41.6081 176.4221 53 V 4.1553 9.7459 123.7534 61.8487 33.1792 174.7700 54 D 4.1501 9.4255 127.5213 55.5724 39.1401 174.2420 55 G 4.0009 8.5971 102.7474 45.2992 0.0000 174.0587 56 K 4.6184 7.8403 119.2772 53.1084 35.3399 173.5893 57 P 4.5842 0.0000 0.0000 63.9510 32.4105 174.5703 58 Y 4.9959 8.4627 122.5424 56.3347 42.2272 174.6099 59 L 5.0006 8.6915 119.3810 53.5867 45.0403 175.3090 60 R 4.0406 9.0418 125.0282 56.5468 31.0662 175.0963 61 V 4.5278 8.2053 127.5070 61.9817 33.5213 174.1365 62 Y 4.7545 8.9461 126.0911 56.7844 39.1593 175.3176 63 L 4.7010 8.4568 125.0524 53.7749 43.2374 176.3706 64 K 4.7540 7.9590 118.7491 55.6312 35.9198 174.4877 65 Y 4.8275 8.4183 117.7253 56.3917 43.0374 175.4057 66 G 4.0909 8.8438 109.9542 45.1649 0.0000 171.1511 67 P 4.8232 0.0000 0.0000 60.9439 34.1727 175.1709 68 R 4.2168 8.4701 120.2404 56.7092 30.6756 175.3064 69 R 4.7523 8.6712 123.8886 54.6738 33.3221 175.0591 70 Q 4.2982 8.5904 122.3398 55.5404 30.3898 176.1206 71 G 3.8350 8.4633 105.8867 43.5192 0.0000 171.2697 72 P 4.1564 0.0000 0.0000 63.6428 31.7628 172.6001 73 D 4.3468 8.6590 125.4767 53.4981 38.7972 171.4293 74 P 4.5877 0.0000 0.0000 64.7037 32.0846 177.1834 75 R 3.4230 7.4480 115.8042 52.6741 29.9317 174.1204 76 P 4.8620 0.0000 0.0000 61.9051 32.3244 175.7746 77 E 4.3284 8.8566 122.3534 56.7048 31.0607 175.4866 78 Q 5.0160 8.5216 121.5955 55.0251 30.4960 176.3071 79 V 4.0250 8.5042 120.9332 65.7911 32.1972 177.8776 80 I 4.0630 7.3648 121.9334 60.3563 35.2933 175.1919 81 H 4.2833 8.8911 121.3363 58.6796 29.4878 176.0364 82 H 4.4934 7.0617 116.9072 54.3448 28.5987 172.6640 83 I 3.5338 7.1445 119.8482 61.2592 39.5463 175.9748 84 R 4.3423 7.7696 126.3589 55.2716 33.3500 173.6681 85 R 4.2024 8.6291 127.3675 56.7720 30.5489 174.6953 86 I 4.2861 8.0318 123.5252 62.8363 39.4934 175.9819 87 S 4.4102 7.5213 117.4643 57.2455 62.5373 173.4037 88 K 4.5696 8.3013 126.4293 53.8855 34.1427 175.8370 89 P 4.4771 0.0000 0.0000 64.1044 31.1339 177.2886 90 G 4.0965 7.7946 105.7587 45.3772 0.0000 173.8432 91 R 4.5549 7.9896 120.1597 54.5076 30.7425 173.3007 92 R 4.0903 8.1166 120.6212 55.5302 31.3350 176.2248 93 V 4.4578 8.2241 121.7328 61.2948 34.5376 173.9039 94 Y 5.2966 8.4997 123.1158 56.5995 41.9406 174.8526 95 V 4.7619 9.0669 115.0168 59.7123 36.7149 174.3625 96 G 3.9936 8.2847 109.6060 46.5775 0.0000 177.5530 97 V 2.9237 8.3454 122.3172 63.0844 35.3913 177.1166 98 K 3.8836 7.9202 124.8896 57.7299 32.6417 177.3418 99 E 4.6650 9.0073 117.5722 55.6304 29.3579 176.5470 100 I 4.3313 7.2742 119.0121 59.3500 38.9096 174.4801 101 P 4.1304 0.0000 0.0000 63.5743 31.1196 177.2545 102 R 4.0995 8.3244 124.9896 54.4182 28.4564 173.7384 103 V 3.4608 7.8299 118.7562 63.4826 31.9875 175.1127 104 R 3.7577 8.4530 127.9354 60.0692 26.7408 177.0142 105 R 3.7089 8.5579 111.4069 57.0082 28.2929 177.7906 106 G 4.0684 8.2206 109.7809 45.6275 0.0000 175.5692 107 L 4.1680 8.8132 119.1171 56.2168 41.8443 176.8205 108 G 4.6163 8.0316 105.4597 44.4755 0.0000 172.7934 109 I 4.9493 8.3505 114.6516 59.8048 40.6785 174.3630 110 A 4.8669 8.3444 120.7704 51.1993 22.8131 175.4814 111 I 4.9072 8.7879 121.7291 59.5649 40.3723 174.9519 112 L 5.2549 8.7253 126.3903 52.9152 45.5875 175.2074 113 S 5.0993 9.1185 116.1381 57.0025 65.0850 173.0865 114 T 5.0083 8.5242 117.6988 60.0852 71.7427 174.6768 115 S 4.1647 8.7592 116.1553 61.7855 62.9559 175.7747 116 K 4.0520 7.7851 117.3273 56.5725 32.1296 175.2754 117 G 3.6400 7.5346 104.3800 43.8576 0.0000 173.5388 118 V 4.2896 8.1065 118.2460 62.0733 32.4477 175.4659 119 L 4.7337 7.9650 125.7457 54.3697 43.1207 174.0103 120 T 5.0335 8.1022 113.0209 61.3279 70.3787 174.6396 121 D 4.3430 8.5457 120.1760 56.6964 39.7093 178.3812 122 R 3.5228 8.0890 118.2421 58.4543 29.1396 178.2130 123 E 3.8610 8.2191 119.6210 59.1926 29.6857 178.6899 124 A 3.9800 8.0650 120.7879 55.2138 18.2861 179.3070 125 R 3.8099 8.6399 117.0111 59.6358 29.9737 178.3678 126 K 4.0944 7.7835 118.5960 59.4415 32.4931 178.5297 127 L 4.1909 7.7384 116.1982 54.6261 42.2752 176.9908 128 G 3.9719 8.1790 107.4458 46.7107 0.0000 172.3521 129 V 4.5253 7.2611 110.2318 59.7085 36.2325 174.3401 130 G 4.3549 8.3062 108.0652 45.1133 0.0000 171.1483 131 G 3.9238 7.8299 103.9089 45.8364 0.0000 170.6243 132 E 4.5645 7.6930 121.7280 56.0372 30.8450 177.8798 133 L 4.2035 8.4609 130.2296 53.8979 40.4352 176.3445 134 I 3.9357 8.5220 125.5454 62.5818 38.4816 175.5079 135 C 5.1397 7.4902 117.5862 58.2072 31.5148 173.4490 136 E 4.7779 8.1191 120.3648 55.7482 31.2620 175.9223 137 V 4.0390 8.0266 116.9011 62.6992 34.7796 171.8651 138 W 4.4180 7.2294 123.2939 57.3576 27.4089 174.0455 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 4.37 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 8.37 4.12 0.00 1.73 1.57 0.97 0.55 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 3 T 8.34 4.46 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 1.19 0.00 0.00 4 D 7.68 4.70 0.00 2.72 2.43 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 5 P 0.00 4.16 0.00 2.11 2.04 0.00 3.64 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.17 0.00 6 I 7.78 3.42 1.85 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.45 0.67 0.00 0.00 7 A 7.89 3.91 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 8 D 8.01 4.22 0.00 2.76 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 9 M 8.47 3.89 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 10 L 7.91 3.78 0.00 1.76 1.61 0.80 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.15 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 1.14 0.00 0.00 12 R 8.27 3.94 0.00 2.02 2.02 0.00 3.11 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 13 I 7.78 3.61 1.97 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 1.35 0.72 0.83 0.00 0.00 14 R 7.44 3.78 0.00 1.87 1.90 0.00 3.18 0.00 0.00 3.12 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 15 N 9.12 4.40 0.00 2.83 2.80 0.00 0.00 6.88 7.75 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 16 A 8.12 3.95 1.35 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 17 T 8.04 4.27 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 18 R 7.56 3.82 0.00 1.92 1.91 0.00 3.04 0.00 0.00 3.43 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 19 V 7.48 4.18 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 0.78 0.00 0.00 0.98 0.00 0.00 20 Y 7.29 3.04 0.00 2.99 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 21 K 8.13 4.26 0.00 1.80 1.84 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.44 7.81 22 E 8.91 4.61 0.00 2.07 1.98 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 2.49 2.42 0.00 23 S 7.71 5.27 0.00 3.43 3.05 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 0.00 0.00 0.00 24 T 7.75 4.52 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 25 D 8.62 4.91 0.00 2.45 2.46 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 26 V 8.38 4.62 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 0.74 0.00 0.00 0.88 0.00 0.00 27 P 0.00 3.42 0.00 1.80 1.77 0.00 3.67 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.19 0.00 28 A 7.97 4.48 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 29 S 8.38 4.53 0.00 3.96 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 30 R 9.07 3.91 0.00 1.91 2.10 0.00 3.17 0.00 0.00 3.28 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.75 0.00 31 F 8.32 4.37 0.00 2.88 3.02 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 32 K 9.16 3.64 0.00 1.77 1.71 0.00 1.82 0.00 0.00 1.44 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.23 1.33 7.81 33 E 8.48 3.59 0.00 1.99 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 0.00 2.41 2.37 0.00 34 E 8.46 4.07 0.00 2.37 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 0.00 2.39 2.55 0.00 35 I 8.17 3.77 1.81 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.97 0.85 0.00 0.00 36 L 7.72 3.92 0.00 1.71 1.79 0.57 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.74 4.30 0.00 2.21 2.16 0.00 3.20 0.00 0.00 3.27 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.89 0.00 38 I 7.53 3.85 2.04 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 1.89 0.87 0.98 0.00 0.00 39 L 8.36 4.17 0.00 1.78 1.77 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 A 9.97 4.23 1.44 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 0.00 0.00 41 R 8.15 3.81 0.00 2.22 2.01 0.00 3.29 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 42 E 8.09 4.11 0.00 2.49 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 2.38 2.57 0.00 43 G 9.42 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 0.00 0.00 0.00 0.00 44 F 7.63 4.49 0.00 3.09 3.03 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 45 I 7.98 4.19 2.14 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 1.51 0.74 0.94 0.00 0.00 46 K 7.20 4.58 0.00 2.10 1.98 0.00 2.04 0.00 0.00 1.75 0.00 0.00 2.83 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.45 1.53 7.81 47 G 7.57 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 0.00 0.00 0.00 0.00 48 Y 8.53 5.63 0.00 3.12 3.02 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 49 E 8.96 4.58 0.00 2.00 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 2.50 2.42 0.00 50 R 9.19 4.71 0.00 1.78 2.00 0.00 3.42 0.00 0.00 3.99 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 51 V 8.11 4.88 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 0.90 0.00 0.00 0.98 0.00 0.00 52 D 8.86 4.86 0.00 2.61 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 53 V 9.75 4.16 1.76 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 0.73 0.00 0.00 0.94 0.00 0.00 54 D 9.43 4.15 0.00 2.81 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 55 G 8.60 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 56 K 7.84 4.62 0.00 2.15 1.83 0.00 1.60 0.00 0.00 1.94 0.00 0.00 3.09 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.41 7.81 57 P 0.00 4.58 0.00 2.07 2.22 0.00 3.64 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 58 Y 8.46 5.00 0.00 3.02 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 59 L 8.69 5.00 0.00 1.60 1.66 0.78 1.07 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 60 R 9.04 4.04 0.00 1.95 1.90 0.00 3.25 0.00 0.00 3.05 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 1.55 0.00 61 V 8.21 4.53 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 0.91 0.00 0.00 1.00 0.00 0.00 62 Y 8.95 4.75 0.00 3.15 2.96 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 63 L 8.46 4.70 0.00 1.54 1.25 0.89 0.95 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 64 K 7.96 4.75 0.00 1.70 1.73 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.94 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.34 1.40 7.81 65 Y 8.42 4.83 0.00 3.04 3.22 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 66 G 8.84 4.09 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 0.00 0.00 0.00 67 P 0.00 4.82 0.00 2.13 2.21 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.97 0.00 68 R 8.47 4.22 0.00 1.79 1.85 0.00 3.13 0.00 0.00 3.12 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 69 R 8.67 4.75 0.00 1.90 1.71 0.00 3.14 0.00 0.00 3.19 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 70 Q 8.59 4.30 0.00 2.08 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.14 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 71 G 8.46 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 0.00 0.00 0.00 72 P 0.00 4.16 0.00 2.19 2.06 0.00 3.85 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 73 D 8.66 4.35 0.00 2.85 2.81 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 74 P 0.00 4.59 0.00 2.18 2.24 0.00 3.92 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 1.98 1.89 0.00 75 R 7.45 3.42 0.00 1.97 1.74 0.00 3.63 0.00 0.00 3.32 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.63 0.00 76 P 0.00 4.86 0.00 1.97 2.17 0.00 2.45 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.76 0.00 77 E 8.86 4.33 0.00 2.13 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 2.52 2.40 0.00 78 Q 8.52 5.02 0.00 2.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.75 6.75 0.00 0.00 0.00 0.00 0.00 2.50 2.31 0.00 79 V 8.50 4.02 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 0.98 0.00 0.00 1.02 0.00 0.00 80 I 7.36 4.06 1.78 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.79 0.68 0.00 0.00 81 H 8.89 4.28 0.00 3.20 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.06 4.49 0.00 1.42 1.31 0.00 5.69 0.00 0.00 0.00 0.00 7.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 I 7.14 3.53 1.62 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.60 0.81 0.00 0.00 84 R 7.77 4.34 0.00 1.57 1.37 0.00 3.33 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 1.52 1.57 0.00 85 R 8.63 4.20 0.00 1.78 1.74 0.00 3.34 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 86 I 8.03 4.29 1.93 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 1.10 0.77 0.90 0.00 0.00 87 S 7.52 4.41 0.00 3.93 3.69 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 88 K 8.30 4.57 0.00 1.83 1.65 0.00 1.70 0.00 0.00 1.62 0.00 0.00 2.85 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.33 1.34 7.81 89 P 0.00 4.48 0.00 2.03 2.10 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.08 0.00 90 G 7.79 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 0.00 0.00 0.00 91 R 7.99 4.55 0.00 1.74 1.73 0.00 3.25 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 1.52 1.74 0.00 92 R 8.12 4.09 0.00 1.89 1.50 0.00 3.19 0.00 0.00 3.22 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.61 0.00 93 V 8.22 4.46 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 0.95 0.00 0.00 0.94 0.00 0.00 94 Y 8.50 5.30 0.00 2.80 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 V 9.07 4.76 2.29 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 0.76 0.00 0.00 1.03 0.00 0.00 96 G 8.28 3.99 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 0.00 0.00 0.00 97 V 8.35 2.92 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 0.76 0.00 0.00 0.94 0.00 0.00 98 K 7.92 3.88 0.00 1.77 1.95 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.46 7.81 99 E 9.01 4.66 0.00 1.89 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 2.42 2.31 0.00 100 I 7.27 4.33 1.96 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 1.38 0.82 0.94 0.00 0.00 101 P 0.00 4.13 0.00 2.20 2.14 0.00 3.78 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.02 0.00 102 R 8.32 4.10 0.00 1.80 1.90 0.00 3.24 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 103 V 7.83 3.46 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 1.17 0.00 0.00 1.14 0.00 0.00 104 R 8.45 3.76 0.00 1.93 1.60 0.00 2.68 0.00 0.00 2.25 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.66 0.00 105 R 8.56 3.71 0.00 1.79 2.08 0.00 3.18 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.65 0.00 106 G 8.22 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 0.00 0.00 0.00 107 L 8.81 4.17 0.00 1.43 1.75 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 108 G 8.03 4.62 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 0.00 109 I 8.35 4.95 2.00 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 1.28 0.80 1.27 0.00 0.00 110 A 8.34 4.87 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 0.00 0.00 0.00 0.00 0.00 0.00 111 I 8.79 4.91 1.88 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 1.27 1.15 0.96 0.00 0.00 112 L 8.73 5.25 0.00 1.66 1.56 0.99 0.61 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 0.00 113 S 9.12 5.10 0.00 3.86 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 0.00 114 T 8.52 5.01 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 1.25 0.00 0.00 115 S 8.76 4.16 0.00 3.88 3.95 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 0.00 0.00 0.00 116 K 7.79 4.05 0.00 1.79 1.86 0.00 1.68 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.38 7.81 117 G 7.53 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 0.00 118 V 8.11 4.29 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 0.98 0.00 0.00 1.02 0.00 0.00 119 L 7.97 4.73 0.00 2.12 1.81 0.95 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.10 5.03 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 0.00 121 D 8.55 4.34 0.00 2.95 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 0.00 122 R 8.09 3.52 0.00 2.07 2.28 0.00 2.98 0.00 0.00 3.27 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 123 E 8.22 3.86 0.00 2.11 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 2.32 2.34 0.00 124 A 8.06 3.98 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 0.00 125 R 8.64 3.81 0.00 1.91 2.15 0.00 3.28 0.00 0.00 3.16 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.67 0.00 126 K 7.78 4.09 0.00 2.03 1.93 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.48 7.81 127 L 7.74 4.19 0.00 1.83 1.71 0.93 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 128 G 8.18 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 0.00 129 V 7.26 4.53 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 0.91 0.00 0.00 0.94 0.00 0.00 130 G 8.31 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 0.00 131 G 7.83 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 0.00 132 E 7.69 4.56 0.00 2.10 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 0.00 2.20 1.84 0.00 133 L 8.46 4.20 0.00 1.74 1.51 0.93 1.04 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 0.00 134 I 8.52 3.94 2.06 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.89 0.00 0.00 135 C 7.49 5.14 0.00 3.14 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 0.00 136 E 8.12 4.78 0.00 1.79 2.03 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 2.39 2.28 0.00 137 V 8.03 4.04 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 -0.12 0.00 0.00 0.67 0.00 0.00 138 W 7.23 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