NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.8181 8.3049 120.2916 55.2348 33.3928 174.3537 2 L 4.6501 8.1477 123.5732 50.7987 44.4355 175.0689 3 Q 3.0658 8.1879 121.2328 54.9070 30.3144 173.0868 4 P 4.6723 0.0000 0.0000 60.8204 32.7723 175.5778 5 K 3.9822 8.9642 122.7881 59.2221 32.4703 176.9789 6 R 4.7485 7.6301 115.1242 54.3060 33.7955 174.2482 7 T 4.7649 8.1070 114.8153 62.0157 72.6941 173.2037 8 K 4.1039 8.6866 121.4535 57.4637 33.9870 175.9668 9 F 5.3840 7.7294 113.5987 55.8226 42.5760 175.4570 10 R 4.3934 8.8941 120.4486 58.1302 30.5194 177.5157 11 K 4.5938 7.8879 114.8122 54.8335 35.3675 175.6128 12 M 4.6861 8.3675 122.5744 53.2222 34.8191 175.1580 13 H 4.4420 8.4160 117.8643 55.6360 29.6048 175.9510 14 K 3.8751 8.5839 121.8191 58.6217 32.0794 178.2233 15 G 4.0461 8.2726 101.8864 45.4570 0.0000 172.9626 16 R 4.3947 8.0337 116.6579 54.2534 32.5230 174.8773 17 N 4.6946 8.5652 121.5301 52.7304 40.0150 173.8157 18 R 4.7160 8.0472 121.0853 53.8756 34.3255 175.1225 19 G 3.7067 8.2479 107.5498 46.5937 0.0000 173.1332 20 L 4.1956 9.5320 117.1225 55.8296 40.8500 174.2109 21 A 4.3047 7.7119 119.7014 51.3370 21.4840 176.2772 22 Q 3.7818 8.6722 123.3517 57.2586 29.7177 174.6871 23 G 3.7354 9.8599 115.4081 46.5885 0.0000 173.5851 24 T 4.6326 7.9337 118.6609 62.3883 72.1494 173.8482 25 D 4.7511 7.6542 120.8813 51.6908 44.2469 174.8701 26 V 3.6712 8.2566 119.2308 62.1549 31.9648 176.2634 27 S 4.5070 8.2014 115.9324 57.9111 65.6278 174.5423 28 F 4.5982 7.9300 117.0953 57.1107 39.9760 175.7145 29 G 3.9780 7.1770 108.9559 45.7827 0.0000 173.2513 30 S 4.4126 8.2489 115.0386 59.1351 65.2116 175.1090 31 F 5.1507 8.6791 117.5636 54.4487 44.1384 173.5828 32 G 4.0451 6.8943 107.4607 46.3580 0.0000 171.0121 33 L 4.9619 6.7727 119.1225 53.4482 43.1782 176.4769 34 K 4.9254 8.4890 121.7018 55.2332 35.7394 174.7122 35 A 4.8527 8.3713 120.6711 50.1508 21.8096 175.7193 36 V 4.4718 8.5268 120.6794 62.0039 34.3546 175.8601 37 G 3.9624 9.1906 115.6672 45.7247 0.0000 173.5535 38 R 4.5340 8.6809 120.4202 54.4517 31.5994 176.8928 39 G 3.8588 6.6376 104.1941 45.6239 0.0000 171.5479 40 R 4.5922 7.8349 116.9324 54.4066 32.7659 174.2199 41 L 4.5298 8.6755 121.3921 53.2904 43.0417 177.1397 42 T 3.5189 8.6733 114.6798 65.9363 68.3042 174.6812 43 A 4.2542 7.7389 123.3649 51.6008 18.2043 178.9142 44 R 4.2104 8.0957 119.4804 59.6732 30.7270 178.5638 45 Q 4.3763 7.9579 114.2115 57.1402 29.7719 177.8346 46 I 3.8809 7.8764 120.5890 64.0424 37.3509 176.8032 47 E 4.3377 7.8383 114.9501 56.1850 29.5309 176.0279 48 A 4.7248 7.8358 118.7919 52.3469 19.5778 177.8067 49 A 4.5940 8.1112 117.8016 54.0006 20.3827 178.4427 50 R 4.4320 8.0725 119.3296 59.3119 31.0119 177.7193 51 R 4.5199 7.7022 109.6308 57.3863 32.1740 175.9162 52 A 4.1765 8.1028 121.6793 54.2930 18.9251 178.0031 53 M 4.4791 7.8477 113.7697 55.5375 33.5114 177.5225 54 T 4.2547 7.5450 115.3145 64.6496 69.7855 177.2954 55 R 3.9698 7.9302 117.8060 58.6372 29.8116 178.2483 56 A 4.2187 7.6823 119.7973 53.7299 18.9000 178.2785 57 V 3.8408 7.4617 107.4888 61.0427 32.8843 178.7098 58 K 3.5394 7.0190 117.7991 57.7403 30.5378 176.1893 59 R 4.4009 8.3831 119.8588 57.3517 31.4410 176.5920 60 Q 3.8740 7.9452 117.9114 56.6764 29.0564 177.4254 61 G 3.9844 8.8795 112.6634 44.6744 0.0000 172.1064 62 K 4.3237 8.1607 118.3528 54.5388 35.7004 174.5867 63 I 4.5263 7.7407 126.5318 59.2140 39.7531 174.1447 64 W 5.6289 8.9748 127.2706 55.5741 34.3702 173.1705 65 I 4.5463 8.4825 113.4987 59.7534 40.7219 175.4691 66 R 4.6479 8.0188 119.7102 56.1584 30.5120 174.7703 67 V 4.4264 7.6328 109.1188 59.2095 34.7452 175.8374 68 F 4.3922 8.4673 123.3051 57.2909 40.2571 171.8524 69 P 4.6801 0.0000 0.0000 61.5628 32.1490 175.6210 70 D 4.8084 8.3361 121.6525 55.1595 44.5000 175.1108 71 K 4.2288 8.3321 120.3528 55.1084 32.9116 174.7715 72 P 2.9700 0.0000 0.0000 62.5243 31.4881 172.1703 73 I 3.1263 7.8816 122.3238 59.9921 38.0066 173.6516 74 T 4.6689 8.2742 114.8720 61.1590 70.7961 173.6253 75 E 4.6090 9.1083 122.6437 54.5837 33.5040 173.5374 76 K 4.4691 8.5203 127.8150 53.8429 33.9252 173.8481 77 P 4.4716 0.0000 0.0000 62.2484 31.9095 176.1602 78 L 4.0010 8.0332 118.9774 56.1392 42.3250 176.2891 79 A 3.6129 9.3415 119.4342 52.4768 14.8349 178.2847 80 V 4.4682 7.1352 117.9372 60.6534 34.5667 174.7965 81 R 4.2590 8.3366 120.9039 56.2609 30.9808 175.4489 82 M 4.4314 8.3978 118.2583 54.7271 33.8921 173.7311 83 G 3.7538 10.0071 115.5755 45.8623 0.0000 172.6544 84 K 4.6016 7.9764 121.5832 54.5982 37.4118 176.9599 85 G 4.2792 7.5757 110.8633 44.6050 0.0000 172.0965 86 K 4.1206 8.1402 121.7341 56.0852 33.2822 178.3136 87 G 4.1281 8.2738 113.0660 46.0907 0.0000 171.9734 88 N 5.1710 8.0535 116.6818 50.9380 40.4581 174.3609 89 V 4.2431 8.4450 121.2720 61.5666 32.1986 175.9933 90 E 4.5955 8.3391 121.9774 56.7185 31.6499 173.3665 91 Y 4.6762 7.0961 116.4057 56.4114 40.7435 174.2781 92 W 5.0184 8.3788 119.7057 56.0880 31.8266 174.9133 93 V 4.4585 9.0393 125.7836 61.4498 33.6867 174.7998 94 A 4.7046 8.4751 125.9238 49.6721 21.2030 175.4787 95 L 4.4022 8.6091 122.2031 55.8177 42.1741 177.0828 96 I 4.8767 8.0804 116.9872 59.4265 41.3616 174.2042 97 Q 4.6914 8.3351 118.1288 54.4587 30.2967 171.8295 98 P 4.7077 0.0000 0.0000 61.9196 32.5851 175.5207 99 G 3.9718 8.3884 106.6301 46.0896 0.0000 174.0250 100 K 4.8369 7.2637 116.8457 53.4208 35.5188 175.1999 101 V 3.7236 8.4011 125.9452 63.6076 31.3631 173.4158 102 L 4.4169 7.7490 123.1151 54.4330 44.1063 178.1889 103 Y 4.9171 7.2013 116.7012 57.1780 42.8145 173.9917 104 E 4.9789 8.7507 115.1974 56.9015 34.2762 175.5372 105 M 5.1661 8.7051 123.7908 53.6327 35.2834 174.6174 106 D 4.6783 8.8547 118.1790 54.3343 45.0277 175.5459 107 G 3.8820 9.5576 110.1634 45.8736 0.0000 173.5784 108 V 4.5622 7.8794 116.5813 58.3619 34.7361 173.4612 109 P 4.1669 0.0000 0.0000 62.9836 31.8229 177.0616 110 E 3.7555 8.3923 119.5623 56.9157 30.1395 176.8450 111 E 4.4043 7.6501 117.1748 55.9376 30.1335 176.1939 112 L 4.4670 7.3739 119.8113 55.7571 47.2325 177.6802 113 A 3.5438 8.0186 120.8658 54.9165 18.1472 179.5071 114 R 4.1814 7.7375 117.0324 59.7167 29.8712 178.3390 115 E 4.0796 7.4708 116.7963 58.2461 29.5835 178.1344 116 A 4.3279 7.2533 119.1065 53.0899 19.0608 177.6028 117 F 5.0511 7.4388 115.4837 57.4817 38.8954 176.0910 118 K 4.7262 8.0751 117.9699 56.6620 32.7815 176.4196 119 L 4.6474 8.1180 116.4406 55.3539 43.0004 177.2510 120 A 4.6650 7.5419 120.6191 50.1440 19.1760 175.8814 121 A 4.5837 7.7436 117.4137 52.1422 23.3033 177.2154 122 A 4.4720 7.6041 115.4993 52.6685 22.2909 176.8049 123 K 4.6176 8.1298 114.3803 55.6154 32.9940 175.5313 124 L 4.6443 7.5780 120.0256 53.1697 45.1226 173.7500 125 P 4.3860 0.0000 0.0000 65.7441 31.8490 176.8589 126 I 3.8806 7.6118 111.7059 60.6905 38.1335 175.4250 127 K 4.5404 8.5800 122.5166 56.5590 33.7390 175.7190 128 T 5.2060 7.9295 111.4484 60.8303 72.6702 172.3611 129 T 4.3708 7.8697 112.2290 61.3467 70.3942 171.8566 130 F 5.0652 9.1315 129.5128 57.9641 40.6942 174.7882 131 V 4.7051 7.7869 122.6190 60.3094 34.7039 174.4810 132 T 4.9266 8.3305 117.2914 61.8527 72.1764 174.3044 133 K 4.2621 9.0233 124.3470 58.9078 32.8756 178.2074 134 T 3.3997 7.7070 107.0117 61.2636 67.5394 171.2362 135 V 3.6936 8.4921 118.2106 66.0296 31.9939 176.9057 136 M 4.1861 7.5734 122.7023 55.3451 31.9130 175.6617 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 4.82 0.00 2.23 2.25 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.85 0.00 2 L 8.15 4.65 0.00 1.47 1.25 0.75 0.63 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 3 Q 8.19 3.07 0.00 1.53 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.77 0.00 0.00 0.00 0.00 0.00 2.19 2.24 0.00 4 P 0.00 4.67 0.00 2.33 1.96 0.00 2.97 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 1.69 1.59 0.00 5 K 8.96 3.98 0.00 1.88 2.02 0.00 1.50 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.47 1.48 7.81 6 R 7.63 4.75 0.00 1.74 1.79 0.00 3.12 0.00 0.00 3.20 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.59 0.00 7 T 8.11 4.76 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 1.31 0.00 0.00 8 K 8.69 4.10 0.00 1.42 1.44 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.65 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.30 0.71 7.81 9 F 7.73 5.38 0.00 3.12 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 10 R 8.89 4.39 0.00 1.86 2.06 0.00 3.29 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.80 0.00 11 K 7.89 4.59 0.00 1.67 1.66 0.00 1.70 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.45 7.81 12 M 8.37 4.69 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.59 0.00 13 H 8.42 4.44 0.00 3.11 3.14 0.00 5.73 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 14 K 8.58 3.88 0.00 1.69 1.82 0.00 1.81 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.42 7.81 15 G 8.27 4.05 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 0.00 0.00 0.00 16 R 8.03 4.39 0.00 1.74 1.82 0.00 3.36 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 1.51 1.52 0.00 17 N 8.57 4.69 0.00 2.65 2.69 0.00 0.00 7.01 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 18 R 8.05 4.72 0.00 1.77 1.79 0.00 3.26 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 19 G 8.25 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 0.00 0.00 0.00 20 L 9.53 4.20 0.00 1.83 1.79 0.91 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 21 A 7.71 4.30 1.17 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 0.00 0.00 22 Q 8.67 3.78 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.61 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 23 G 9.86 3.74 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 0.00 0.00 0.00 24 T 7.93 4.63 4.20 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 0.00 0.00 1.18 0.00 0.00 25 D 7.65 4.75 0.00 2.56 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 8.26 3.67 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 0.68 0.00 0.00 0.86 0.00 0.00 27 S 8.20 4.51 0.00 3.43 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 28 F 7.93 4.60 0.00 2.44 1.70 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 29 G 7.18 3.98 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 0.00 0.00 0.00 30 S 8.25 4.41 0.00 3.64 3.36 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.68 5.15 0.00 3.19 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 32 G 6.89 4.05 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 0.00 0.00 0.00 33 L 6.77 4.96 0.00 1.54 0.84 0.82 0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.49 4.93 0.00 1.72 1.78 0.00 1.52 0.00 0.00 1.71 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.34 7.81 35 A 8.37 4.85 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 36 V 8.53 4.47 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 0.80 0.00 0.00 0.93 0.00 0.00 37 G 9.19 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 0.00 0.00 0.00 38 R 8.68 4.53 0.00 1.92 1.95 0.00 3.14 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 39 G 6.64 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 40 R 7.83 4.59 0.00 1.79 1.80 0.00 2.95 0.00 0.00 3.18 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 41 L 8.68 4.53 0.00 1.77 1.86 0.95 0.77 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 42 T 8.67 3.52 4.33 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 1.20 0.00 0.00 43 A 7.74 4.25 1.55 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 0.00 0.00 44 R 8.10 4.21 0.00 2.01 2.02 0.00 3.18 0.00 0.00 3.27 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.64 0.00 45 Q 7.96 4.38 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.09 6.92 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 46 I 7.88 3.88 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.88 1.02 0.00 0.00 47 E 7.84 4.34 0.00 2.15 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 0.00 2.55 2.35 0.00 48 A 7.84 4.72 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 49 A 8.11 4.59 1.26 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 50 R 8.07 4.43 0.00 1.86 2.06 0.00 3.30 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.95 0.00 51 R 7.70 4.52 0.00 1.98 2.09 0.00 3.18 0.00 0.00 3.31 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.62 0.00 52 A 8.10 4.18 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 53 M 7.85 4.48 0.00 2.12 1.94 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.43 0.00 54 T 7.55 4.25 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 55 R 7.93 3.97 0.00 1.97 2.17 0.00 2.94 0.00 0.00 3.33 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.60 0.00 56 A 7.68 4.22 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 57 V 7.46 3.84 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 0.61 0.00 0.00 0.93 0.00 0.00 58 K 7.02 3.54 0.00 2.01 1.66 0.00 1.58 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.35 1.56 7.81 59 R 8.38 4.40 0.00 1.74 1.93 0.00 3.24 0.00 0.00 3.20 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 60 Q 7.95 3.87 0.00 1.99 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.99 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 61 G 8.88 3.98 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 0.00 0.00 0.00 62 K 8.16 4.32 0.00 1.61 0.93 0.00 1.59 0.00 0.00 1.72 0.00 0.00 2.84 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.43 1.06 7.81 63 I 7.74 4.53 1.78 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 1.53 1.16 0.85 0.00 0.00 64 W 8.97 5.63 0.00 3.61 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 65 I 8.48 4.55 1.76 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.75 0.87 0.00 0.00 66 R 8.02 4.65 0.00 1.63 1.75 0.00 3.00 0.00 0.00 3.01 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 67 V 7.63 4.43 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 0.65 0.00 0.00 0.65 0.00 0.00 68 F 8.47 4.39 0.00 2.86 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 69 P 0.00 4.68 0.00 2.32 2.19 0.00 3.56 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 1.90 1.96 0.00 70 D 8.34 4.81 0.00 2.37 2.56 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 71 K 8.33 4.23 0.00 2.02 1.78 0.00 1.67 0.00 0.00 1.80 0.00 0.00 3.19 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.45 1.50 7.81 72 P 0.00 2.97 0.00 1.95 1.68 0.00 3.99 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 73 I 7.88 3.13 1.56 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 1.48 1.06 0.87 0.00 0.00 74 T 8.27 4.67 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 1.20 0.00 0.00 75 E 9.11 4.61 0.00 1.92 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 2.15 2.22 0.00 76 K 8.52 4.47 0.00 1.74 1.65 0.00 1.84 0.00 0.00 1.69 0.00 0.00 2.70 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.28 1.40 7.81 77 P 0.00 4.47 0.00 2.05 1.96 0.00 3.70 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 2.00 2.07 0.00 78 L 8.03 4.00 0.00 1.61 1.59 0.91 0.78 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 79 A 9.34 3.61 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.14 4.47 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 0.71 0.00 0.00 0.92 0.00 0.00 81 R 8.34 4.26 0.00 1.82 1.92 0.00 3.16 0.00 0.00 3.22 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 82 M 8.40 4.43 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.43 0.00 83 G 10.01 3.75 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 0.00 0.00 0.00 84 K 7.98 4.60 0.00 1.69 1.79 0.00 1.92 0.00 0.00 1.70 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.37 7.81 85 G 7.58 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 0.00 0.00 0.00 0.00 86 K 8.14 4.12 0.00 1.72 1.72 0.00 1.78 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.43 7.81 87 G 8.27 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 0.00 0.00 0.00 0.00 88 N 8.05 5.17 0.00 2.76 2.88 0.00 0.00 7.04 7.55 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 89 V 8.45 4.24 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 -0.20 0.00 0.00 0.79 0.00 0.00 90 E 8.34 4.60 0.00 1.84 1.83 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 1.92 2.30 0.00 91 Y 7.10 4.68 0.00 2.97 2.68 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 0.00 0.00 0.00 0.00 92 W 8.38 5.02 0.00 3.17 3.26 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 93 V 9.04 4.46 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 0.79 0.00 0.00 0.35 0.00 0.00 94 A 8.48 4.70 1.24 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 95 L 8.61 4.40 0.00 1.55 1.80 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 96 I 8.08 4.88 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 1.29 1.11 0.91 0.00 0.00 97 Q 8.34 4.69 0.00 2.09 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.03 0.00 0.00 0.00 0.00 0.00 2.15 2.31 0.00 98 P 0.00 4.71 0.00 2.13 2.24 0.00 4.00 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 2.15 1.83 0.00 99 G 8.39 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 0.00 100 K 7.26 4.84 0.00 1.75 1.66 0.00 1.72 0.00 0.00 1.66 0.00 0.00 3.02 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.39 7.81 101 V 8.40 3.72 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 0.72 0.00 0.00 0.80 0.00 0.00 102 L 7.75 4.42 0.00 1.84 1.59 1.01 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.20 4.92 0.00 2.99 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 0.00 104 E 8.75 4.98 0.00 2.51 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 0.00 2.18 2.29 0.00 105 M 8.71 5.17 0.00 2.26 2.35 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.67 0.00 106 D 8.85 4.68 0.00 3.07 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 0.00 107 G 9.56 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 108 V 7.88 4.56 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 0.87 0.00 0.00 0.89 0.00 0.00 109 P 0.00 4.17 0.00 2.09 2.03 0.00 3.52 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 2.06 2.04 0.00 110 E 8.39 3.76 0.00 1.87 1.32 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 2.17 2.16 0.00 111 E 7.65 4.40 0.00 1.99 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 2.12 2.15 0.00 112 L 7.37 4.47 0.00 1.58 1.67 0.87 1.01 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 A 8.02 3.54 1.09 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 0.00 114 R 7.74 4.18 0.00 1.97 1.86 0.00 2.95 0.00 0.00 2.72 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.78 0.00 115 E 7.47 4.08 0.00 1.87 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 2.29 2.41 0.00 116 A 7.25 4.33 1.19 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 0.00 0.00 117 F 7.44 5.05 0.00 3.36 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 0.00 118 K 8.08 4.73 0.00 1.84 1.89 0.00 1.52 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.34 1.44 7.81 119 L 8.12 4.65 0.00 1.76 1.69 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 120 A 7.54 4.66 1.19 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 0.00 0.00 121 A 7.74 4.58 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 0.00 122 A 7.60 4.47 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 0.00 123 K 8.13 4.62 0.00 1.73 1.80 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.76 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.33 1.38 7.81 124 L 7.58 4.64 0.00 1.57 1.41 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 125 P 0.00 4.39 0.00 2.23 2.16 0.00 3.86 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 126 I 7.61 3.88 2.05 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 1.36 0.48 0.92 0.00 0.00 127 K 8.58 4.54 0.00 1.72 1.78 0.00 1.64 0.00 0.00 1.89 0.00 0.00 2.91 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.39 7.81 128 T 7.93 5.21 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 1.25 0.00 0.00 129 T 7.87 4.37 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 1.24 0.00 0.00 130 F 9.13 5.07 0.00 3.06 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 0.00 131 V 7.79 4.71 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 0.55 0.00 0.00 0.87 0.00 0.00 132 T 8.33 4.93 4.37 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 133 K 9.02 4.26 0.00 1.63 1.77 0.00 1.72 0.00 0.00 2.34 0.00 0.00 2.84 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.55 7.81 134 T 7.71 3.40 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 1.26 0.00 0.00 135 V 8.49 3.69 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 0.82 0.00 0.00 0.94 0.00 0.00 136 M 7.57 4.19 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.61 0.00