NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 K 4.3136 8.1614 120.0031 57.0634 34.0495 176.7150 5 G 4.0201 8.9753 107.5844 45.8638 0.0000 172.8444 6 T 4.3531 8.0160 116.5430 64.2473 69.7681 174.4177 7 R 4.2235 7.6023 120.4593 57.1472 30.9193 177.9107 8 F 4.4941 8.0675 116.1660 60.5699 39.0672 176.5782 9 E 4.0252 8.4519 118.3076 60.4191 29.2327 179.2343 10 R 4.0946 8.1956 117.4854 58.4271 29.7278 178.6208 11 D 4.4103 7.6860 118.5782 57.1536 41.2365 177.9058 12 L 3.7891 8.3093 121.0420 57.8196 41.9137 178.4844 13 L 3.9818 7.5206 118.6292 58.1924 41.5961 179.4448 14 V 3.7005 7.6323 117.6126 66.4179 31.1141 177.7717 15 E 4.0735 7.6109 115.4803 59.6733 29.5863 178.9135 16 L 4.0636 7.9257 118.6789 57.6844 41.6831 179.2853 17 W 5.0533 8.3790 119.8206 59.5274 28.9581 178.5294 18 K 4.0110 8.6565 116.9855 59.6316 31.5830 177.9620 19 A 4.4970 7.9740 118.4439 51.9567 18.8550 178.4095 20 G 3.7841 8.4627 109.2182 46.2050 0.0000 174.5091 21 F 4.1686 7.6529 118.6768 57.0767 40.8330 174.8179 22 A 3.4344 8.6933 125.3272 50.3051 18.9059 175.8539 23 A 5.1428 6.6305 121.9327 51.0401 21.9922 175.6308 24 I 4.7876 8.5000 111.8732 59.4846 41.6610 174.1300 25 R 4.8008 8.4944 122.8310 55.0579 31.1131 176.5387 26 V 3.7466 8.3312 125.0705 62.5768 32.2041 175.5870 27 A 3.9855 8.7229 131.5306 53.0192 18.9535 177.3226 28 G 3.7936 8.6034 113.2265 46.8936 0.0000 173.8672 29 S 4.5489 7.9826 109.7931 57.9544 64.2248 174.7200 30 G 3.9238 7.7518 110.7050 46.0305 0.0000 173.6622 31 V 4.3430 7.0580 116.5988 58.7492 34.7525 175.4654 32 S 3.9305 8.1316 115.4160 58.3397 63.1470 170.4895 33 P 4.6005 0.0000 0.0000 62.2450 31.0022 173.4801 34 F 4.9814 8.9186 118.6693 54.6838 40.6816 172.9128 35 P 4.3987 0.0000 0.0000 62.5307 30.6767 174.3080 36 C 3.6560 7.7078 111.9234 56.2803 31.8515 173.0241 37 P 4.3424 0.0000 0.0000 62.3048 31.9205 175.4653 38 D 4.6454 8.3899 117.6133 56.0306 42.1951 177.1277 39 I 5.0539 7.3382 117.8497 59.5237 42.0597 174.2714 40 V 4.8764 8.6764 124.1960 61.2031 34.8899 174.1751 41 A 5.4052 7.8258 127.2404 49.6031 23.3422 174.6090 42 G 5.0885 8.3395 103.2624 45.5288 0.0000 173.4377 43 N 5.1478 7.4127 117.0275 51.5728 37.2125 176.7426 44 G 4.0439 8.2633 107.8605 46.7609 0.0000 173.9148 45 R 3.8313 7.4071 114.6708 57.1639 32.3817 175.6409 46 T 4.3596 7.5374 114.1309 61.8452 70.4479 173.2526 47 Y 5.4652 8.3608 122.5875 56.2092 41.7124 174.4520 48 L 5.2866 9.2819 122.8318 52.8218 45.6728 175.4952 49 A 4.6596 9.4541 124.7104 50.4281 21.5466 175.3748 50 I 4.7714 8.3078 123.7662 60.0962 40.0424 175.0890 51 E 4.2590 9.0858 130.3013 55.6996 30.6156 175.5069 52 V 4.4828 8.5917 128.2832 61.7498 32.5994 175.0803 53 K 4.6546 9.2721 128.0883 54.9385 35.1048 175.3395 54 M 4.8766 8.8202 124.3555 53.6489 32.0553 174.6980 55 R 4.5379 7.8753 122.4837 53.8892 32.3175 177.8795 56 K 3.9710 8.7851 123.6342 59.0282 32.5362 176.1031 57 E 4.6252 6.8036 111.3346 55.3157 32.2926 175.2706 58 L 4.3117 8.1823 119.6079 53.8601 42.5362 175.1695 59 P 4.6755 0.0000 0.0000 61.9012 33.4664 174.6661 60 L 4.4436 8.0695 123.3109 54.3641 43.1844 175.2184 61 Y 4.9495 8.6933 123.7532 57.0617 40.1786 175.6292 62 L 4.8515 8.8990 121.8475 53.0335 45.7472 175.8135 63 S 4.7920 9.3221 118.5212 58.1380 63.2534 175.7864 64 A 4.6494 9.6363 125.5594 55.2812 18.1336 179.4408 65 D 4.2744 8.2060 116.6444 57.3371 41.3479 177.3940 66 E 3.9105 8.0864 119.4666 59.6295 29.5850 179.4323 67 V 3.5647 7.9197 117.8023 65.8819 31.5452 177.1422 68 E 3.8717 8.1729 119.1626 59.8502 29.3092 178.8533 69 Q 4.0244 8.0341 117.2739 59.1209 28.7745 178.9599 70 L 3.9583 7.5805 119.6981 58.1413 41.9936 179.2780 71 V 3.6489 7.8446 118.1435 66.0610 31.5475 177.9171 72 T 3.8794 8.5778 115.9288 67.0454 68.3476 175.7846 73 F 3.9325 8.7762 122.3503 61.0397 39.3748 176.6630 74 A 4.2327 8.8474 120.5091 55.6210 18.0552 179.6350 75 R 3.9760 8.1500 115.1306 59.6142 30.3044 179.1754 76 G 3.6744 7.8747 104.0820 47.8304 0.0000 175.0090 77 F 4.0514 8.1553 122.5541 59.0764 39.6489 176.1394 78 G 3.8913 8.7906 105.8824 45.7161 0.0000 172.0964 79 A 5.1964 7.8904 119.0252 49.8768 23.2858 175.7792 80 E 4.6960 9.4700 118.1931 55.2366 31.5982 175.9583 81 A 4.9314 8.5326 125.7288 51.8284 20.2109 175.8718 82 Y 4.8663 9.2389 119.4088 56.2497 43.3309 174.5483 83 V 4.7730 9.2531 122.4144 61.1982 33.8365 174.3930 84 A 4.5223 8.3929 130.4825 51.1915 20.2827 175.7955 85 L 5.8228 8.9965 123.0037 52.6279 45.5151 174.6842 86 K 4.3070 8.2950 126.9986 54.3913 34.5473 174.4981 87 L 4.9082 7.4289 126.3775 52.4815 44.1607 176.5043 88 P 3.9271 0.0000 0.0000 65.4263 31.5428 177.1192 89 R 4.6136 7.5997 112.0410 55.2299 31.6432 174.9128 90 K 4.5008 8.0898 118.7486 54.9712 33.5738 176.4510 91 K 4.4796 8.2825 120.7985 54.9351 33.3358 176.5632 92 W 4.8168 8.3052 120.2881 57.7137 30.2848 175.9956 93 R 4.7898 8.7405 120.6083 55.7449 33.7049 173.4388 94 F 5.1993 9.5392 126.0498 56.0740 41.4876 174.8382 95 F 5.1567 9.2652 121.6741 54.9474 41.9991 173.4667 96 P 3.8847 0.0000 0.0000 61.8825 32.1949 177.8150 97 V 3.4924 7.8263 114.6064 64.8234 31.8038 178.7810 98 Q 3.9362 8.2291 117.3012 59.4101 28.4218 178.1108 99 M 4.2511 7.5721 114.0356 56.9896 32.3714 176.1453 100 L 4.2950 7.6255 118.2769 55.4761 42.7102 176.3018 101 E 4.6137 8.6537 121.3837 55.3838 31.4033 175.5527 102 R 4.6444 8.5689 123.4091 56.6283 32.5231 176.2895 103 T 4.6694 8.5763 110.8966 61.7997 70.0191 174.3721 104 E 4.3568 9.5916 117.6907 56.0854 30.7161 177.0555 105 K 4.1216 9.3064 134.2598 59.1906 33.6068 175.0344 106 N 5.6062 8.0558 116.0418 52.6019 43.9651 172.8090 107 F 5.2778 9.1620 118.9839 56.7242 42.9936 174.1886 108 K 5.0584 8.9887 117.5417 58.1460 36.5163 174.7469 109 I 4.5944 7.7169 120.3803 60.4385 40.6135 173.6222 110 D 5.2038 8.5751 130.3839 51.7160 41.6270 175.9586 111 E 4.0245 8.9625 116.5150 60.2027 29.7871 178.1510 112 S 4.2487 8.1445 112.4021 60.9759 62.6229 175.5999 113 V 4.2674 7.6578 117.5184 63.7979 32.5364 176.5271 114 Y 4.6469 8.0974 119.7771 60.7944 38.3861 176.7546 115 P 4.1997 0.0000 0.0000 65.0881 31.4295 178.1938 116 L 4.2292 8.3766 118.2478 56.3385 42.0265 177.6459 117 G 2.7899 7.3341 104.0284 45.8435 0.0000 173.9136 118 L 4.4698 8.7282 124.1088 54.3947 43.5122 175.5015 119 E 4.9074 8.4499 119.0622 54.6235 32.3915 177.4155 120 I 2.8522 8.5857 122.0827 64.3316 37.8844 177.8481 121 A 3.9393 7.8674 120.5811 55.3297 18.1132 179.2709 122 E 3.9624 7.6907 115.6978 59.2542 29.3891 179.6181 123 V 3.7157 7.5866 118.5249 65.8729 31.1363 177.9771 124 A 4.3159 8.0216 120.1991 54.9802 18.3807 179.5399 125 G 3.4596 8.2862 104.0170 47.1565 0.0000 175.9408 126 K 3.9491 7.5133 119.2411 59.7909 32.2139 178.3531 127 F 3.9945 7.4710 119.0474 60.4747 39.0765 175.0005 128 F 4.4157 7.8938 120.3811 57.4256 39.0600 175.1385 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 4 K 8.16 4.31 0.00 2.02 1.19 0.00 1.50 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.50 7.81 5 G 8.98 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 0.00 0.00 0.00 6 T 8.02 4.35 4.28 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 1.25 0.00 0.00 7 R 7.60 4.22 0.00 1.83 1.57 0.00 3.00 0.00 0.00 3.04 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 8 F 8.07 4.49 0.00 3.44 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 9 E 8.45 4.03 0.00 2.25 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 2.37 2.48 0.00 10 R 8.20 4.09 0.00 1.88 1.98 0.00 3.19 0.00 0.00 3.09 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.66 0.00 11 D 7.69 4.41 0.00 2.94 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 12 L 8.31 3.79 0.00 0.27 1.34 0.62 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.52 3.98 0.00 2.01 1.99 1.00 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 14 V 7.63 3.70 2.35 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 1.09 0.00 0.00 1.05 0.00 0.00 15 E 7.61 4.07 0.00 2.27 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 2.71 2.70 0.00 16 L 7.93 4.06 0.00 1.83 1.57 0.79 0.63 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 17 W 8.38 5.05 0.00 3.57 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 18 K 8.66 4.01 0.00 2.00 1.98 0.00 1.91 0.00 0.00 1.75 0.00 0.00 3.13 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.55 1.70 7.81 19 A 7.97 4.50 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 20 G 8.46 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 0.00 0.00 0.00 21 F 7.65 4.17 0.00 2.92 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 22 A 8.69 3.43 1.02 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 0.00 0.00 23 A 6.63 5.14 1.02 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 0.00 0.00 24 I 8.50 4.79 1.94 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 1.25 0.83 0.99 0.00 0.00 25 R 8.49 4.80 0.00 1.74 1.91 0.00 3.30 0.00 0.00 3.18 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.64 0.00 26 V 8.33 3.75 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 0.67 0.00 0.00 0.85 0.00 0.00 27 A 8.72 3.99 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 G 8.60 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 0.00 0.00 0.00 29 S 7.98 4.55 0.00 4.03 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 30 G 7.75 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 31 V 7.06 4.34 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 nan 0.00 0.00 0.49 0.00 0.00 32 S 8.13 3.93 0.00 3.39 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 33 P 0.00 4.60 0.00 2.13 2.13 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 34 F 8.92 4.98 0.00 2.92 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 35 P 0.00 4.40 0.00 2.16 2.23 0.00 3.57 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.15 0.00 36 C 7.71 3.66 0.00 2.81 2.85 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 37 P 0.00 4.34 0.00 1.95 1.92 0.00 2.72 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 38 D 8.39 4.65 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 39 I 7.34 5.05 1.75 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.85 0.85 0.00 0.00 40 V 8.68 4.88 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 0.77 0.00 0.00 0.66 0.00 0.00 41 A 7.83 5.41 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.34 5.09 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 43 N 7.41 5.15 0.00 2.46 2.24 0.00 0.00 5.95 6.93 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 44 G 8.26 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 0.00 0.00 0.00 45 R 7.41 3.83 0.00 1.19 0.66 0.00 2.87 0.00 0.00 3.23 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 1.22 0.00 46 T 7.54 4.36 4.45 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 1.31 0.00 0.00 47 Y 8.36 5.47 0.00 3.14 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 48 L 9.28 5.29 0.00 1.25 1.38 0.02 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 49 A 9.45 4.66 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 50 I 8.31 4.77 1.79 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.91 0.78 0.00 0.00 51 E 9.09 4.26 0.00 2.06 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 0.00 2.29 2.29 0.00 52 V 8.59 4.48 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 0.92 0.00 0.00 0.73 0.00 0.00 53 K 9.27 4.65 0.00 1.71 1.67 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.36 1.52 7.81 54 M 8.82 4.88 0.00 1.62 1.93 0.00 0.00 0.00 0.00 0.00 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.59 0.00 55 R 7.88 4.54 0.00 1.57 1.87 0.00 3.25 0.00 0.00 3.06 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.65 0.00 56 K 8.79 3.97 0.00 1.65 1.78 0.00 1.78 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.37 1.37 7.81 57 E 6.80 4.63 0.00 1.95 1.79 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 2.05 2.11 0.00 58 L 8.18 4.31 0.00 1.43 1.48 0.73 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 59 P 0.00 4.68 0.00 1.41 1.74 0.00 3.59 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 1.94 1.99 0.00 60 L 8.07 4.44 0.00 1.71 1.41 0.91 0.99 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 61 Y 8.69 4.95 0.00 2.87 2.89 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 0.00 0.00 0.00 0.00 62 L 8.90 4.85 0.00 1.69 1.60 0.89 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 63 S 9.32 4.79 0.00 3.95 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 64 A 9.64 4.65 1.46 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 0.00 0.00 65 D 8.21 4.27 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 66 E 8.09 3.91 0.00 2.08 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 0.00 2.33 2.38 0.00 67 V 7.92 3.56 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 0.53 0.00 0.00 0.80 0.00 0.00 68 E 8.17 3.87 0.00 2.21 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 0.00 2.36 2.44 0.00 69 Q 8.03 4.02 0.00 2.31 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.57 0.00 0.00 0.00 0.00 0.00 2.44 2.65 0.00 70 L 7.58 3.96 0.00 1.78 1.78 0.92 0.91 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 71 V 7.84 3.65 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 1.07 0.00 0.00 0.92 0.00 0.00 72 T 8.58 3.88 4.44 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 1.23 0.00 0.00 73 F 8.78 3.93 0.00 3.23 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 74 A 8.85 4.23 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 0.00 0.00 0.00 0.00 0.00 0.00 75 R 8.15 3.98 0.00 2.02 2.01 0.00 3.20 0.00 0.00 3.32 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.80 0.00 76 G 7.87 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 77 F 8.16 4.05 0.00 2.25 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 78 G 8.79 3.89 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 A 7.89 5.20 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 80 E 9.47 4.70 0.00 2.16 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 2.40 2.41 0.00 81 A 8.53 4.93 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 82 Y 9.24 4.87 0.00 2.91 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 83 V 9.25 4.77 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 1.01 0.00 0.00 0.92 0.00 0.00 84 A 8.39 4.52 0.52 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 0.00 0.00 0.00 0.00 0.00 0.00 85 L 9.00 5.82 0.00 1.86 1.75 0.90 0.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 86 K 8.29 4.31 0.00 0.79 0.74 0.00 1.20 0.00 0.00 0.76 0.00 0.00 2.56 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.99 0.34 7.81 87 L 7.43 4.91 0.00 1.66 1.36 0.35 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 88 P 0.00 3.93 0.00 1.97 2.03 0.00 3.47 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 89 R 7.60 4.61 0.00 1.73 1.88 0.00 3.20 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.61 0.00 90 K 8.09 4.50 0.00 1.87 1.85 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.71 7.81 91 K 8.28 4.48 0.00 1.83 1.87 0.00 1.88 0.00 0.00 1.74 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.48 7.81 92 W 8.31 4.82 0.00 3.32 3.23 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 93 R 8.74 4.79 0.00 2.33 2.05 0.00 2.92 0.00 0.00 2.67 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.60 0.00 94 F 9.54 5.20 0.00 2.85 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 95 F 9.27 5.16 0.00 2.97 2.95 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 96 P 0.00 3.88 0.00 2.00 1.55 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.86 0.00 97 V 7.83 3.49 1.92 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 0.61 0.00 0.00 0.84 0.00 0.00 98 Q 8.23 3.94 0.00 1.97 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 7.03 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 99 M 7.57 4.25 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.75 2.81 0.00 100 L 7.63 4.29 0.00 1.57 1.57 0.63 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 101 E 8.65 4.61 0.00 1.91 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 2.29 2.24 0.00 102 R 8.57 4.64 0.00 1.87 1.74 0.00 3.07 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.58 0.00 103 T 8.58 4.67 4.24 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 1.25 0.00 0.00 104 E 9.59 4.36 0.00 1.99 1.54 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 2.24 2.26 0.00 105 K 9.31 4.12 0.00 1.81 1.77 0.00 1.65 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.48 7.81 106 N 8.06 5.61 0.00 2.72 2.91 0.00 0.00 6.69 7.98 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 0.00 107 F 9.16 5.28 0.00 2.83 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 0.00 108 K 8.99 5.06 0.00 1.21 1.45 0.00 1.27 0.00 0.00 1.43 0.00 0.00 2.79 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.19 1.06 7.81 109 I 7.72 4.59 1.57 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.36 0.39 0.00 0.00 110 D 8.58 5.20 0.00 2.81 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 0.00 111 E 8.96 4.02 0.00 1.97 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 0.00 2.34 2.41 0.00 112 S 8.14 4.25 0.00 3.88 4.24 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 0.00 113 V 7.66 4.27 2.33 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 1.21 0.00 0.00 1.03 0.00 0.00 114 Y 8.10 4.65 0.00 3.18 3.07 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 0.00 115 P 0.00 4.20 0.00 2.08 2.11 0.00 3.83 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.26 0.00 116 L 8.38 4.23 0.00 1.89 1.78 0.97 0.85 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 0.00 117 G 7.33 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 0.00 0.00 0.00 118 L 8.73 4.47 0.00 1.79 1.62 1.05 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 119 E 8.45 4.91 0.00 1.85 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 0.00 2.28 2.21 0.00 120 I 8.59 2.85 1.50 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 1.46 1.02 0.89 0.00 0.00 121 A 7.87 3.94 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 0.00 122 E 7.69 3.96 0.00 1.94 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 2.34 2.43 0.00 123 V 7.59 3.72 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 0.52 0.00 0.00 0.58 0.00 0.00 124 A 8.02 4.32 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 0.00 125 G 8.29 3.46 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 0.00 0.00 0.00 126 K 7.51 3.95 0.00 2.02 1.98 0.00 1.90 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.54 1.71 7.81 127 F 7.47 3.99 0.00 2.58 2.67 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 0.00 0.00 0.00 128 F 7.89 4.42 0.00 3.12 2.87 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