NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.2308 8.2985 121.4549 56.2799 31.8746 177.6156 3 A 3.9140 7.9552 120.1864 54.4516 18.3065 174.3866 4 V 3.6804 8.3332 117.6368 65.9834 32.0689 176.6539 5 K 4.0027 7.9494 117.8270 59.6549 31.9557 179.2408 6 T 3.8640 8.1103 116.0141 66.5996 68.4196 176.3180 7 F 4.1271 8.2729 122.4511 61.4724 39.3410 176.6844 8 N 4.2012 8.6653 116.3943 56.5167 38.4772 177.4909 9 S 4.1017 8.3617 116.6466 61.6520 62.7223 176.6749 10 E 3.9067 7.8232 119.8277 59.2159 29.5067 178.8905 11 L 3.6864 7.6547 120.6802 58.2459 42.0686 178.4786 12 Y 4.0564 8.2388 119.7536 60.2471 38.6151 177.6390 13 S 4.5415 7.9502 115.7323 59.9357 63.0171 176.0177 14 L 4.0470 7.7330 123.4421 58.1228 41.1047 178.7106 15 N 4.0625 7.8199 114.8398 55.0141 38.2343 175.8976 16 D 4.5163 8.1826 120.0116 53.6553 41.3682 175.2655 17 Y 4.7721 7.3338 116.9908 55.7190 41.2306 174.8673 18 K 4.3428 8.6433 124.0934 54.6059 33.0947 175.0261 19 P 4.5719 0.0000 0.0000 61.6372 31.9553 174.3521 20 P 4.4619 0.0000 0.0000 62.5818 31.9437 176.3810 21 I 3.9532 8.2647 123.0853 60.8344 38.0295 176.7999 22 S 4.3085 8.2993 119.4681 58.0875 64.9663 175.5558 23 K 3.8750 8.5726 122.6046 59.5876 31.8197 179.2999 24 A 3.9392 7.9022 120.4863 55.1677 18.3232 179.5112 25 K 3.7729 7.9419 118.0187 59.7354 32.2005 178.7153 26 M 4.0285 8.0541 118.5257 58.9051 32.0849 178.3544 27 T 3.8627 8.3378 116.3717 66.6854 68.6197 176.6357 28 Q 4.0400 8.0687 119.9711 58.9884 28.7283 179.0191 29 I 3.7222 7.7907 120.7608 64.6734 37.1711 178.6322 30 T 3.9333 8.1252 116.6285 66.6507 68.3143 176.8411 31 K 4.0075 8.5933 120.5783 59.4971 31.9970 179.2613 32 A 4.1449 8.2966 120.8342 55.0157 18.0607 179.5533 33 A 3.7106 8.2152 118.5612 55.3894 18.7451 179.6455 34 I 4.0781 7.9858 118.3318 64.6204 37.0006 178.9007 35 K 4.2030 8.2920 117.9559 58.6221 31.9414 177.9756 36 A 4.8440 7.6794 120.1224 52.2066 19.3205 178.5988 37 I 3.5959 7.6980 123.4657 65.7498 37.9114 177.1962 38 K 3.7620 8.0075 119.1031 58.3779 32.2955 177.3261 39 F 4.9058 8.1046 118.6622 56.9525 40.1628 177.4565 40 Y 4.1206 8.0181 119.4908 60.0922 37.7425 177.2913 41 K 3.4849 6.7436 119.7639 59.4748 32.0469 178.8293 42 H 4.2769 7.7863 115.9919 58.6048 28.6850 177.7609 43 V 3.4063 7.8141 120.1995 66.0094 31.2455 178.2514 44 V 3.2905 7.8328 117.9196 65.8779 31.1994 177.5812 45 Q 4.0105 8.1304 119.2440 59.5210 28.7966 178.6457 46 S 4.2747 8.5821 116.4219 61.6071 62.8881 176.9270 47 V 3.8337 8.2847 120.9797 66.1991 31.3112 177.9277 48 E 4.1455 8.8146 118.7641 59.4123 29.3069 179.3411 49 K 4.0049 8.6136 120.0302 59.2253 32.2817 178.5891 50 F 4.0145 8.6852 121.3378 61.5555 39.1281 177.2204 51 I 3.7686 7.9519 117.9160 64.3552 36.9312 177.8950 52 Q 4.1013 8.2840 119.8114 58.4586 29.0561 177.5618 53 K 4.4239 7.6114 116.2110 55.3641 33.4603 176.3753 54 C 4.0901 7.0337 114.2425 56.9151 30.5110 173.7110 55 K 4.1402 8.2759 119.6469 55.7957 32.6858 176.3672 56 P 4.1928 0.0000 0.0000 65.9522 30.9909 178.6447 57 E 3.9750 7.9954 114.0997 58.4327 29.7158 177.4385 58 Y 4.6516 7.7925 117.1090 57.8921 38.3745 177.4365 59 K 3.9140 7.7828 120.7794 59.4883 32.2456 179.1485 60 V 3.1744 7.5288 117.7234 65.4770 31.4593 175.7578 61 P 4.3294 0.0000 0.0000 65.8310 31.2474 178.6154 62 G 3.7089 8.5083 104.4388 47.7278 0.0000 175.4424 63 L 3.8690 7.9065 122.7789 58.1636 42.0259 178.6698 64 Y 4.4213 8.2174 117.0497 61.0379 37.6435 178.9566 65 V 3.6322 7.9536 119.3068 65.9734 31.6824 178.0553 66 I 3.3294 7.6186 119.2976 64.3626 36.9175 177.7530 67 D 4.7785 8.6083 119.0681 57.7000 41.0617 178.3672 68 S 4.1175 8.5838 113.8764 61.3906 62.3332 176.1374 69 I 3.5900 7.9540 122.6226 64.3656 36.7657 178.6340 70 V 3.6538 7.8986 118.9934 66.1433 31.3919 178.3327 71 R 3.9314 8.2282 117.9363 59.2460 29.8590 178.8669 72 Q 3.9944 8.3202 119.5453 59.0825 28.9626 178.1534 73 S 4.4278 8.5058 114.5879 61.6368 62.6612 176.3287 74 R 4.1023 8.4027 121.1227 59.4835 29.5367 178.5844 75 H 4.1065 8.1156 117.1445 59.3792 30.0038 176.8346 76 Q 3.8510 8.3147 120.4039 57.8741 28.9692 176.2401 77 F 4.6470 8.3916 116.1171 56.3063 41.1033 176.2436 78 G 4.0902 7.9727 108.4458 45.0680 0.0000 174.9533 79 Q 3.9898 8.7547 120.4907 58.8209 28.9527 178.7742 80 E 4.1081 8.1051 115.5819 58.1533 29.7823 177.5483 81 K 4.2426 7.5580 116.6455 56.5227 33.1582 176.5283 82 D 4.3133 7.2687 119.3311 54.9465 41.3765 176.5329 83 V 3.7429 7.8391 118.2355 62.3854 32.8042 178.3794 84 F 4.1262 8.6779 119.4599 60.2945 38.8029 177.5338 85 A 4.1280 8.4366 120.3751 54.8444 17.9258 177.8491 86 P 4.2804 0.0000 0.0000 65.7259 31.8082 178.5601 87 R 4.0852 7.9152 117.4160 59.5106 29.6235 178.4640 88 F 4.4686 8.8902 118.2239 60.7358 38.7493 177.7907 89 S 4.4754 8.5533 113.8560 61.1569 62.4837 176.2562 90 N 4.3996 7.9693 119.3476 56.0226 38.5754 176.4725 91 N 4.9994 7.4565 116.1299 53.2131 39.2635 176.8311 92 I 3.9084 7.6829 124.0770 64.1739 37.8591 178.0157 93 I 3.7728 7.8043 120.4420 64.4620 37.0467 178.1158 94 S 4.3290 8.1392 113.4753 61.6732 62.1963 176.1008 95 T 3.9099 8.2036 118.5533 66.8497 68.1989 176.7143 96 F 3.6139 8.7953 119.8338 60.1845 38.6649 177.6473 97 Q 4.2163 8.3829 117.5455 59.2915 28.9183 178.7232 98 N 4.4981 8.2261 117.1964 56.3765 38.2193 177.4872 99 L 3.8346 7.9288 120.6101 57.8441 41.4050 178.5605 100 Y 4.4575 7.7950 113.8872 58.9243 38.4402 176.0651 101 R 4.5166 7.8152 120.3723 55.9658 30.3080 175.6325 102 C 4.6087 7.1373 111.9939 55.4867 32.3284 171.7813 103 P 4.3389 0.0000 0.0000 62.3839 31.6634 177.7504 104 G 3.9159 8.9977 110.9936 49.0589 0.0000 174.9095 105 D 4.5953 7.9760 116.2072 54.3637 40.0167 176.9194 106 D 4.6046 8.4031 120.4927 55.4336 41.2861 178.3160 107 K 4.0648 7.8571 119.9467 59.6117 32.0776 179.1861 108 S 4.2295 8.0470 113.7879 61.2308 63.0848 176.5587 109 K 4.0706 7.9643 122.2649 59.1333 31.6695 179.4376 110 I 3.6076 7.6416 119.8147 64.3931 37.1021 178.4210 111 V 3.6163 7.7657 118.8060 65.8549 31.3151 177.8846 112 R 3.8528 8.1211 118.5431 59.4485 29.8336 178.6875 113 V 3.3578 7.5771 117.4945 65.9013 31.4496 177.9043 114 L 3.7859 7.7767 118.7414 57.9481 41.3638 179.3666 115 N 4.3978 8.5034 116.6923 56.2472 38.3401 177.5345 116 L 4.0810 7.9667 120.5258 57.3550 41.6320 179.3336 117 W 4.5930 8.5969 119.5301 59.9575 29.1360 178.3205 118 Q 4.0540 8.5790 119.4941 59.1069 28.3533 178.0142 119 K 3.9697 8.1693 119.5452 59.4649 32.3512 177.5715 120 N 4.7100 8.3886 113.3571 52.1538 39.0044 174.5527 121 N 4.2650 8.0106 116.6038 54.2293 36.9290 176.0867 122 V 3.5614 8.2132 119.4160 65.0737 31.9488 175.7220 123 F 4.8617 7.6856 115.3518 54.8971 42.9363 174.6253 124 K 4.2908 8.4957 121.7830 56.1576 32.7847 178.5282 125 S 4.2033 8.7922 116.8607 61.8029 62.3727 176.2973 126 E 4.0347 8.2628 121.5884 59.1545 29.4024 178.3365 127 I 4.0161 7.8094 119.4781 63.9775 37.5302 178.3425 128 I 3.7036 7.6177 120.1849 64.1684 37.0600 177.9172 129 Q 3.9786 8.6420 120.7858 58.9628 28.8727 176.8848 130 P 4.3373 0.0000 0.0000 65.3194 31.2385 178.6359 131 L 4.0224 7.3028 115.4479 57.6001 41.4425 179.4610 132 L 4.0479 8.0368 119.0287 57.9142 41.5118 179.1790 133 D 4.3769 8.5149 119.2648 57.6587 40.5735 178.7770 134 M 3.9689 8.2983 119.0002 58.1829 31.7130 178.5812 135 A 3.2440 7.3322 119.4628 54.9506 18.8927 179.2878 136 A 3.9873 7.8736 118.9574 55.1945 18.4275 179.6318 137 A 3.9099 8.1400 119.4473 55.3088 18.1773 179.7694 138 L 3.8396 7.3016 116.3899 57.5038 41.7031 178.7045 139 E 4.2549 7.7565 116.2463 57.1174 29.6301 176.5715 140 H 4.8992 7.7493 115.7534 55.6357 29.6644 173.6902 141 H 4.6404 8.0870 122.4524 56.0270 28.9272 174.3228 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 2 E 8.30 4.23 0.00 2.06 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 2.31 2.41 0.00 3 A 7.96 3.91 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 4 V 8.33 3.68 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 1.08 0.00 0.00 0.77 0.00 0.00 5 K 7.95 4.00 0.00 1.95 1.83 0.00 1.69 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.48 7.81 6 T 8.11 3.86 4.47 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 0.00 0.00 0.00 1.27 0.00 0.00 7 F 8.27 4.13 0.00 3.28 3.34 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 8 N 8.67 4.20 0.00 2.92 2.86 0.00 0.00 7.09 7.21 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 9 S 8.36 4.10 0.00 3.97 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 10 E 7.82 3.91 0.00 1.88 1.90 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 2.47 2.47 0.00 11 L 7.65 3.69 0.00 0.78 1.16 0.39 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 12 Y 8.24 4.06 0.00 3.10 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 13 S 7.95 4.54 0.00 4.27 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 0.00 14 L 7.73 4.05 0.00 1.51 1.66 0.36 0.61 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 15 N 7.82 4.06 0.00 2.27 2.58 0.00 0.00 7.01 7.91 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 16 D 8.18 4.52 0.00 2.43 2.22 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 17 Y 7.33 4.77 0.00 3.07 2.90 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 18 K 8.64 4.34 0.00 1.75 1.76 0.00 1.78 0.00 0.00 1.72 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.43 7.81 19 P 0.00 4.57 0.00 1.98 1.94 0.00 3.54 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.94 0.00 20 P 0.00 4.46 0.00 2.21 2.11 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.00 0.00 21 I 8.26 3.95 1.95 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 1.59 0.92 0.86 0.00 0.00 22 S 8.30 4.31 0.00 3.98 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 23 K 8.57 3.88 0.00 1.78 1.87 0.00 1.64 0.00 0.00 1.78 0.00 0.00 2.89 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.47 7.81 24 A 7.90 3.94 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 25 K 7.94 3.77 0.00 1.53 1.58 0.00 1.45 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.12 1.34 7.81 26 M 8.05 4.03 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.63 0.00 27 T 8.34 3.86 4.38 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 1.20 0.00 0.00 28 Q 8.07 4.04 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.38 2.60 0.00 29 I 7.79 3.72 2.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.85 0.93 0.00 0.00 30 T 8.13 3.93 4.40 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 1.24 0.00 0.00 31 K 8.59 4.01 0.00 1.84 1.91 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.62 7.81 32 A 8.30 4.14 1.58 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 33 A 8.22 3.71 1.14 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 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.99 4.08 2.11 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 1.81 0.95 1.19 0.00 0.00 35 K 8.29 4.20 0.00 1.85 1.98 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.07 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.56 1.68 7.81 36 A 7.68 4.84 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 37 I 7.70 3.60 2.08 0.00 0.00 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.30 0.89 0.00 0.00 38 K 8.01 3.76 0.00 1.47 1.02 0.00 1.52 0.00 0.00 0.95 0.00 0.00 2.70 0.00 0.00 2.65 0.00 0.00 0.00 0.00 0.54 1.17 7.81 39 F 8.10 4.91 0.00 3.23 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 40 Y 8.02 4.12 0.00 2.08 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 41 K 6.74 3.48 0.00 1.33 1.54 0.00 1.28 0.00 0.00 1.52 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.74 0.21 7.81 42 H 7.79 4.28 0.00 3.35 3.35 0.00 5.65 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.81 3.41 2.34 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 0.36 0.00 0.00 0.71 0.00 0.00 44 V 7.83 3.29 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 0.80 0.00 0.00 0.26 0.00 0.00 45 Q 8.13 4.01 0.00 2.30 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.40 2.52 0.00 46 S 8.58 4.27 0.00 4.42 4.17 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 47 V 8.28 3.83 2.69 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 1.28 0.00 0.00 1.41 0.00 0.00 48 E 8.81 4.15 0.00 2.31 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 2.56 2.75 0.00 49 K 8.61 4.00 0.00 1.98 2.09 0.00 1.71 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.50 7.81 50 F 8.69 4.01 0.00 3.24 3.28 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 51 I 7.95 3.77 2.09 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 1.50 0.99 0.86 0.00 0.00 52 Q 8.28 4.10 0.00 2.17 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.72 0.00 0.00 0.00 0.00 0.00 2.38 2.42 0.00 53 K 7.61 4.42 0.00 1.79 1.75 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.51 7.81 54 C 7.03 4.09 0.00 2.52 1.71 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 55 K 8.28 4.14 0.00 2.04 1.93 0.00 1.79 0.00 0.00 1.86 0.00 0.00 2.91 0.00 0.00 3.51 0.00 0.00 0.00 0.00 1.54 1.48 7.81 56 P 0.00 4.19 0.00 2.09 2.08 0.00 3.56 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 2.09 2.13 0.00 57 E 8.00 3.98 0.00 1.83 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 1.47 1.73 0.00 58 Y 7.79 4.65 0.00 3.07 3.20 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 0.00 59 K 7.78 3.91 0.00 1.70 1.73 0.00 1.74 0.00 0.00 1.51 0.00 0.00 2.84 0.00 0.00 3.14 0.00 0.00 0.00 0.00 1.59 1.53 7.81 60 V 7.53 3.17 1.81 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 0.20 0.00 0.00 0.73 0.00 0.00 61 P 0.00 4.33 0.00 2.58 2.26 0.00 3.74 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.21 0.00 62 G 8.51 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 63 L 7.91 3.87 0.00 1.44 1.52 0.78 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 8.22 4.42 0.00 3.09 2.88 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 65 V 7.95 3.63 2.27 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 1.22 0.00 0.00 0.94 0.00 0.00 66 I 7.62 3.33 2.05 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 0.69 0.70 0.36 0.00 0.00 67 D 8.61 4.78 0.00 3.11 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 68 S 8.58 4.12 0.00 4.01 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 69 I 7.95 3.59 1.85 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 1.32 0.71 0.06 0.00 0.00 70 V 7.90 3.65 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 0.85 0.00 0.00 1.08 0.00 0.00 71 R 8.23 3.93 0.00 2.00 1.99 0.00 3.38 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.92 0.00 72 Q 8.32 3.99 0.00 2.17 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 73 S 8.51 4.43 0.00 4.26 4.17 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 74 R 8.40 4.10 0.00 1.96 1.96 0.00 2.98 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 75 H 8.12 4.11 0.00 3.21 3.52 0.00 5.94 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.31 3.85 0.00 1.90 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.50 0.00 0.00 0.00 0.00 0.00 1.16 1.94 0.00 77 F 8.39 4.65 0.00 3.15 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 78 G 7.97 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 79 Q 8.75 3.99 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.96 6.87 0.00 0.00 0.00 0.00 0.00 2.43 2.38 0.00 80 E 8.11 4.11 0.00 1.93 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 2.29 2.25 0.00 81 K 7.56 4.24 0.00 1.97 1.82 0.00 1.69 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.51 7.81 82 D 7.27 4.31 0.00 2.86 2.57 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 83 V 7.84 3.74 0.74 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 0.37 0.00 0.00 -0.42 0.00 0.00 84 F 8.68 4.13 0.00 3.32 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 85 A 8.44 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 P 0.00 4.28 0.00 2.00 2.13 0.00 3.62 0.00 0.00 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 87 R 7.92 4.09 0.00 2.10 2.08 0.00 3.15 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 88 F 8.89 4.47 0.00 3.55 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 89 S 8.55 4.48 0.00 4.21 4.57 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 90 N 7.97 4.40 0.00 2.90 2.97 0.00 0.00 6.89 7.28 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 91 N 7.46 5.00 0.00 3.16 2.87 0.00 0.00 6.74 7.26 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 92 I 7.68 3.91 2.20 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.87 0.93 0.00 0.00 93 I 7.80 3.77 1.93 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 1.56 0.85 0.98 0.00 0.00 94 S 8.14 4.33 0.00 3.95 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 95 T 8.20 3.91 4.60 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 1.18 0.00 0.00 96 F 8.80 3.61 0.00 3.23 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 97 Q 8.38 4.22 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.96 0.00 0.00 0.00 0.00 0.00 2.51 2.70 0.00 98 N 8.23 4.50 0.00 2.91 2.83 0.00 0.00 7.05 6.90 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 99 L 7.93 3.83 0.00 1.12 1.16 -0.38 0.84 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 0.00 100 Y 7.79 4.46 0.00 3.08 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 0.00 101 R 7.82 4.52 0.00 2.01 1.93 0.00 3.16 0.00 0.00 3.30 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 102 C 7.14 4.61 0.00 2.97 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 0.00 103 P 0.00 4.34 0.00 2.32 1.98 0.00 3.74 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.04 0.00 104 G 9.00 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 0.00 105 D 7.98 4.60 0.00 2.79 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 0.00 106 D 8.40 4.60 0.00 2.79 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 0.00 107 K 7.86 4.06 0.00 1.89 1.92 0.00 1.62 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.60 1.51 7.81 108 S 8.05 4.23 0.00 4.05 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 0.00 109 K 7.96 4.07 0.00 1.96 1.93 0.00 1.63 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.48 7.81 110 I 7.64 3.61 2.15 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.45 0.86 0.00 0.00 111 V 7.77 3.62 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 1.10 0.00 0.00 1.07 0.00 0.00 112 R 8.12 3.85 0.00 2.06 2.10 0.00 3.16 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.64 0.00 113 V 7.58 3.36 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 0.12 0.00 0.00 1.04 0.00 0.00 114 L 7.78 3.79 0.00 1.85 1.68 0.94 0.26 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 0.00 115 N 8.50 4.40 0.00 2.93 2.88 0.00 0.00 7.06 6.62 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 0.00 116 L 7.97 4.08 0.00 1.87 1.79 0.91 0.95 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 0.00 117 W 8.60 4.59 0.00 3.63 3.37 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 0.00 118 Q 8.58 4.05 0.00 2.23 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.78 0.00 0.00 0.00 0.00 0.00 2.42 2.44 0.00 119 K 8.17 3.97 0.00 1.90 2.04 0.00 1.87 0.00 0.00 1.73 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.52 7.81 120 N 8.39 4.71 0.00 2.90 2.89 0.00 0.00 7.18 8.77 0.00 0.00 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 N 8.01 4.26 0.00 2.89 2.89 0.00 0.00 6.86 7.32 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 0.00 122 V 8.21 3.56 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 0.06 0.00 0.00 0.99 0.00 0.00 123 F 7.69 4.86 0.00 2.94 2.82 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 0.00 0.00 0.00 124 K 8.50 4.29 0.00 1.88 1.77 0.00 1.70 0.00 0.00 1.90 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.46 7.81 125 S 8.79 4.20 0.00 4.08 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 0.00 126 E 8.26 4.03 0.00 2.00 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 2.32 2.43 0.00 127 I 7.81 4.02 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 1.61 1.13 0.71 0.00 0.00 128 I 7.62 3.70 1.94 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.02 1.02 0.00 0.00 129 Q 8.64 3.98 0.00 2.22 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.61 0.00 130 P 0.00 4.34 0.00 2.18 2.08 0.00 3.73 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 2.16 2.17 0.00 131 L 7.30 4.02 0.00 1.59 1.14 0.03 0.28 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 0.00 132 L 8.04 4.05 0.00 1.86 1.72 0.99 0.91 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 0.00 133 D 8.51 4.38 0.00 2.81 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 0.00 134 M 8.30 3.97 0.00 2.12 2.45 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.62 0.00 135 A 7.33 3.24 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 0.00 136 A 7.87 3.99 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 0.00 0.00 0.00 0.00 0.00 137 A 8.14 3.91 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 0.00 138 L 7.30 3.84 0.00 1.56 1.64 0.56 1.22 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 0.00 139 E 7.76 4.25 0.00 1.83 1.81 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 2.38 2.39 0.00 140 H 7.75 4.90 0.00 3.00 3.22 0.00 5.81 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 H 8.09 4.64 0.00 3.10 3.13 0.00 5.73 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00