NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7221 8.4449 117.8346 56.2489 29.9764 172.7939 1D H 4.7152 8.7475 119.3932 55.3677 29.5586 172.3155 1E H 5.0876 7.5661 115.9727 53.6516 33.4350 172.1554 1F H 4.6308 8.9224 117.2304 55.9617 28.9715 174.3371 1G F 4.9042 8.4281 119.4004 57.8592 39.9486 174.0933 2 N 4.6455 8.5046 117.1869 52.2672 39.0672 174.4402 3 L 4.8232 8.0758 123.3416 51.9853 44.0607 174.6952 4 P 4.4682 0.0000 0.0000 61.5909 32.1935 174.1929 5 P 4.3714 0.0000 0.0000 62.3069 32.4137 176.0913 6 G 3.9350 9.0984 104.1107 45.3202 0.0000 171.7180 7 N 4.4571 7.7897 114.4435 51.5413 40.0774 174.1982 8 Y 4.9131 7.9809 116.0447 58.1905 38.6394 176.9248 9 K 4.1125 8.4604 122.4450 58.7564 32.2222 177.2827 10 K 4.7024 7.6206 115.1939 53.3146 35.2911 173.5676 11 P 4.8532 0.0000 0.0000 63.1905 32.6504 174.6639 12 K 4.5929 9.0057 118.8318 56.5467 36.5900 173.8822 13 L 5.0044 9.2938 120.2172 53.0636 44.5224 176.2952 14 L 5.0605 8.6050 122.8133 53.5499 43.1669 174.5888 15 Y 4.7891 9.2740 127.2174 56.7156 40.4933 173.7274 16 C 4.1450 8.5690 128.6195 57.6751 32.0232 174.2505 17 S 3.6527 7.9094 122.1807 61.1355 62.5159 174.9885 18 N 4.0088 8.1244 118.7405 55.5330 38.8675 175.0187 19 G 3.8316 7.5994 106.3236 44.6404 0.0000 173.1077 20 G 3.3976 7.5494 107.4479 44.5629 0.0000 173.2424 21 H 4.8751 7.3977 115.1225 53.6715 31.8352 174.1306 22 F 5.1384 8.8838 120.9658 56.2876 40.4624 175.1852 23 L 4.4488 9.1184 126.3160 55.4561 43.1832 175.6515 24 R 4.9410 9.4759 126.1466 54.6002 33.7627 174.1340 25 I 4.8661 8.2860 126.0557 59.3818 39.0977 175.6721 26 L 4.0995 8.8315 128.0001 53.3694 42.3321 176.8607 27 P 4.1856 0.0000 0.0000 65.8715 31.2512 177.3564 28 D 4.5011 7.9602 114.3483 53.6646 39.7239 177.0337 29 G 4.1298 8.5494 110.0041 45.3631 0.0000 173.9590 30 T 4.3010 8.6467 117.6616 63.3152 69.0796 173.5326 31 V 4.8442 8.0099 124.2017 61.2220 34.5204 174.5201 32 D 4.5862 8.5379 125.2264 53.0001 42.6717 174.0443 33 G 4.5232 8.8271 105.0164 45.3744 0.0000 172.3515 34 T 4.9953 8.7874 115.6957 60.4183 71.0023 174.7026 35 R 4.2333 8.8773 124.4101 56.8625 31.0107 176.4315 36 D 4.5808 8.2264 118.9631 53.4466 40.0376 176.5254 37 R 3.7110 8.6330 127.4000 57.8861 30.2399 177.0881 38 S 4.4211 8.3146 110.9542 58.7931 63.8190 174.1045 39 D 4.3444 7.7473 121.4430 55.2627 41.1470 176.1493 40 Q 4.3648 8.4324 122.6804 56.3717 29.3426 175.9127 41 H 4.9044 9.3031 116.2125 55.4348 28.9899 175.6036 42 I 4.6019 7.4484 111.0749 59.8672 38.9126 175.2594 43 Q 4.2199 7.8732 122.0138 55.7943 29.7017 174.7534 44 L 4.9793 9.0688 124.6865 52.8083 45.4427 175.2846 45 Q 4.8000 9.2144 124.8993 54.5206 30.7214 174.3609 46 L 5.5207 8.8283 126.5014 53.1616 43.6096 176.1478 47 S 4.6217 8.1875 114.5607 56.8591 66.7334 172.4894 48 A 5.2240 8.4128 122.3679 51.6419 20.7566 175.5279 49 E 4.0339 8.9611 120.8215 56.6909 29.3014 178.1207 50 S 4.6162 5.8100 114.8652 56.5731 65.3574 173.6483 51 V 3.7681 8.2180 121.1816 64.9275 31.4459 176.3357 52 G 3.9421 9.1378 114.3804 45.3531 0.0000 172.0392 53 E 5.1171 8.1935 119.8084 54.8105 32.0640 175.5745 54 V 4.8136 8.9002 115.7361 60.0808 36.9534 173.6765 55 Y 5.2412 8.9007 120.0871 56.4755 41.3232 175.2633 56 I 4.3830 8.6083 122.5485 59.6439 40.3380 174.0073 57 K 4.6444 8.6782 129.1882 54.0899 34.8568 175.1161 58 S 4.5189 8.7920 123.1547 58.3589 62.5651 174.8936 59 T 3.7748 8.3895 118.6576 64.6230 68.6794 175.8115 60 E 4.0781 8.3318 122.5632 58.2236 29.8999 176.9363 61 T 4.3336 7.9274 106.1451 60.5782 70.2171 175.4159 62 G 3.8014 8.3334 110.1989 45.3835 0.0000 173.8222 63 Q 4.3931 7.5392 118.6655 56.0313 30.2344 174.5831 64 Y 4.7873 8.9224 119.5823 55.8873 40.6801 175.2523 65 L 4.3705 9.0115 125.8604 55.5133 43.4632 175.6064 66 A 5.1004 8.6330 125.7320 50.8884 23.2943 174.4689 67 M 5.3883 8.7336 119.1698 53.8975 34.9403 175.5603 68 D 5.2240 9.4765 125.8905 51.7751 41.1256 177.0642 69 T 4.2049 8.4995 108.4058 64.0826 68.6714 174.5691 70 D 4.5940 8.3803 120.4872 54.3499 41.6287 177.0811 71 G 3.0943 8.6461 108.9945 44.7927 0.0000 172.8110 72 L 4.6612 7.8486 120.2145 53.1890 42.8647 176.2830 73 L 5.1066 8.3392 123.0441 55.3263 42.7200 175.6198 74 Y 4.9094 8.7320 118.2895 56.1825 41.7905 173.3969 75 G 4.1539 9.0586 109.3996 45.6604 0.0000 173.1834 76 S 5.0722 9.1705 121.2327 56.7975 64.1637 175.2558 77 Q 4.4554 9.0056 124.4795 57.9799 28.9705 176.3454 78 T 4.6667 7.7500 106.9774 59.0711 71.9886 172.7505 79 P 3.8366 0.0000 0.0000 61.0814 29.9694 174.4514 80 N 4.7829 7.2881 121.0245 51.8688 40.6734 176.0289 81 E 3.8843 8.7113 114.6175 59.7640 29.4987 178.3620 82 E 4.1329 9.0413 117.9948 57.5427 29.7570 177.4678 83 A 5.0244 7.8175 120.3634 51.1582 19.7641 176.4857 84 L 4.3190 7.1268 116.7842 53.5283 43.1963 176.0052 85 F 5.1411 8.9691 122.1621 55.5271 43.3901 174.4221 86 L 4.8768 9.2077 122.4206 53.7063 42.7646 175.5100 87 E 4.5369 8.9200 127.0184 55.2880 30.1752 175.7123 88 R 4.8392 8.5252 125.5152 54.0261 34.6108 174.7761 89 L 4.7346 8.6978 124.0819 55.1958 43.1119 175.7942 90 E 4.7056 9.0861 124.7045 55.2444 33.6272 174.8643 91 E 3.9909 9.7960 123.3270 57.5681 27.3316 174.4678 92 N 4.3211 8.6001 110.8608 54.2815 36.4837 173.9736 93 H 4.8259 8.5197 116.6284 57.8125 36.2176 173.5727 94 Y 4.6591 7.7309 115.9852 57.6663 39.9462 173.5132 95 N 5.5193 9.7259 118.4137 51.9059 41.1925 174.5410 96 T 5.2859 8.8565 113.1378 60.1400 72.9767 172.7411 97 Y 5.0055 8.5798 118.7458 56.6489 41.6195 174.1982 98 I 4.5767 8.4518 125.9557 59.1837 39.5927 175.5393 99 S 4.0094 8.8167 122.1693 58.5051 62.4561 173.9816 100 K 3.9673 8.7608 129.3842 59.3897 32.2914 178.6122 101 K 3.7741 7.9590 118.1924 59.1678 32.1952 176.7926 102 H 4.8325 8.4242 114.3847 54.3085 29.4833 176.4131 103 A 3.9775 7.8342 125.7753 55.2316 18.0082 180.8850 104 E 3.9310 8.0635 113.2290 58.7781 29.7725 178.3451 105 K 4.0080 7.6689 117.1245 55.7603 32.6705 175.9230 106 N 3.9869 7.6672 115.6888 53.9624 36.5027 174.8620 107 W 5.0169 7.7914 117.7609 55.9500 30.7816 177.1570 108 F 5.3532 9.1607 124.1064 55.5646 40.9354 175.8933 109 V 3.9738 9.0281 122.0280 63.0444 32.5186 175.2229 110 G 4.4626 8.5951 112.5010 45.3088 0.0000 171.5156 111 L 5.2477 8.1423 121.8370 52.4944 44.6856 177.1540 112 K 4.2744 9.1405 123.1640 55.4447 33.0792 178.2704 113 K 4.0544 8.3437 118.8968 59.1622 31.9796 178.1158 114 N 4.5139 8.0252 113.9849 53.0522 37.8620 175.8633 115 G 3.5458 7.9664 108.7321 44.8292 0.0000 173.3777 116 S 4.9077 8.5147 115.6401 57.2770 64.9435 173.7833 117 C 4.7726 8.4792 116.5406 58.3111 30.4151 173.2725 118 K 4.3913 9.0343 120.8775 55.9082 33.3590 176.5050 119 R 4.4323 8.2946 120.6542 54.5835 31.7857 177.6725 120 G 3.3209 8.5987 113.0027 48.2270 0.0000 174.1447 121 P 4.3575 0.0000 0.0000 64.4795 31.3912 177.3903 122 R 4.4791 8.0390 115.9929 55.8944 30.1842 175.9426 123 T 5.2625 7.6075 108.3249 59.5969 71.1481 173.2996 124 H 4.6399 7.8947 114.8760 54.9849 30.3980 173.2072 125 Y 3.9569 8.6993 118.5710 60.0907 38.1112 177.2480 126 G 4.0395 9.0059 111.2936 45.4158 0.0000 173.9474 127 Q 4.1918 7.3879 118.6183 55.3177 29.8162 177.0994 128 K 3.8742 8.2688 118.9989 58.3290 32.9794 179.3855 129 A 3.9120 7.7541 121.9631 54.4983 18.3864 178.5446 130 I 4.4541 7.1716 106.0169 60.5744 38.5585 175.3557 131 L 4.3409 7.1930 123.0807 54.1315 42.5486 175.8415 132 F 5.3341 9.3527 122.4948 55.4933 43.3021 174.0728 133 L 5.2742 9.3609 123.2979 52.6614 44.9916 173.8254 134 P 5.1048 0.0000 0.0000 62.9140 32.3486 175.6341 135 L 5.0984 9.3545 122.5694 51.9439 45.9729 174.3842 136 P 4.6697 0.0000 0.0000 62.6702 32.2980 176.7397 137 V 3.7223 8.1888 113.3727 61.8685 31.5014 176.2535 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 1C H 8.44 4.72 0.00 3.07 3.42 0.00 5.65 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.75 4.72 0.00 3.13 3.20 0.00 5.64 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.57 5.09 0.00 3.14 3.27 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.92 4.63 0.00 3.33 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.43 4.90 0.00 2.92 3.08 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 2 N 8.50 4.65 0.00 2.95 2.78 0.00 0.00 6.86 6.74 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 3 L 8.08 4.82 0.00 1.47 1.41 0.57 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.47 0.00 2.19 2.11 0.00 3.69 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 1.98 1.92 0.00 5 P 0.00 4.37 0.00 2.17 2.09 0.00 3.72 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.94 0.00 6 G 9.10 3.93 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 0.00 0.00 0.00 7 N 7.79 4.46 0.00 2.59 2.63 0.00 0.00 5.85 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 8 Y 7.98 4.91 0.00 3.04 3.21 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 0.00 9 K 8.46 4.11 0.00 1.83 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.55 7.81 10 K 7.62 4.70 0.00 1.71 1.69 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.85 0.00 2.06 2.06 0.00 3.82 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 12 K 9.01 4.59 0.00 2.02 1.97 0.00 1.36 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.38 1.48 7.81 13 L 9.29 5.00 0.00 1.70 1.68 0.41 0.88 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 14 L 8.60 5.06 0.00 1.58 1.65 0.33 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 9.27 4.79 0.00 3.28 3.17 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 16 C 8.57 4.15 0.00 2.39 2.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 7.91 3.65 0.00 3.83 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 18 N 8.12 4.01 0.00 2.53 2.57 0.00 0.00 6.82 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 19 G 7.60 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 20 G 7.55 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 H 7.40 4.88 0.00 3.02 3.15 0.00 5.81 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.88 5.14 0.00 3.15 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 23 L 9.12 4.45 0.00 1.85 1.54 0.98 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.48 4.94 0.00 1.90 2.05 0.00 3.26 0.00 0.00 3.34 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 25 I 8.29 4.87 1.83 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.74 0.88 0.00 0.00 26 L 8.83 4.10 0.00 1.78 1.51 0.91 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.19 0.00 1.99 2.10 0.00 3.54 0.00 0.00 3.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 28 D 7.96 4.50 0.00 2.77 2.77 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 0.00 0.00 0.00 0.00 29 G 8.55 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 30 T 8.65 4.30 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 1.22 0.00 0.00 31 V 8.01 4.84 2.10 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 0.84 0.00 0.00 0.94 0.00 0.00 32 D 8.54 4.59 0.00 2.87 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 33 G 8.83 4.52 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 0.00 34 T 8.79 5.00 4.32 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 1.37 0.00 0.00 35 R 8.88 4.23 0.00 1.89 1.99 0.00 3.22 0.00 0.00 3.07 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 36 D 8.23 4.58 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.63 3.71 0.00 1.88 1.91 0.00 3.31 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.01 0.00 38 S 8.31 4.42 0.00 3.98 3.94 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 39 D 7.75 4.34 0.00 2.81 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 40 Q 8.43 4.36 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 7.18 0.00 0.00 0.00 0.00 0.00 2.28 2.21 0.00 41 H 9.30 4.90 0.00 3.32 3.46 0.00 5.77 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.45 4.60 1.91 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.94 1.05 0.00 0.00 43 Q 7.87 4.22 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 L 9.07 4.98 0.00 1.58 1.43 0.81 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.21 4.80 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.82 0.00 0.00 0.00 0.00 0.00 2.27 2.37 0.00 46 L 8.83 5.52 0.00 1.67 1.30 0.90 1.05 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 47 S 8.19 4.62 0.00 3.90 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 48 A 8.41 5.22 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 49 E 8.96 4.03 0.00 1.64 1.68 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 2.15 2.40 0.00 50 S 5.81 4.62 0.00 4.11 3.82 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 51 V 8.22 3.77 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 0.94 0.00 0.00 1.03 0.00 0.00 52 G 9.14 3.94 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 0.00 0.00 0.00 53 E 8.19 5.12 0.00 2.02 1.69 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 2.22 2.29 0.00 54 V 8.90 4.81 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.59 0.00 0.00 1.14 0.00 0.00 55 Y 8.90 5.24 0.00 2.96 3.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.61 4.38 1.71 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.55 0.67 0.00 0.00 57 K 8.68 4.64 0.00 1.39 1.53 0.00 1.23 0.00 0.00 1.19 0.00 0.00 2.68 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.91 0.37 7.81 58 S 8.79 4.52 0.00 3.82 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 59 T 8.39 3.77 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 1.17 0.00 0.00 60 E 8.33 4.08 0.00 1.99 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 2.18 2.37 0.00 61 T 7.93 4.33 4.22 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 1.23 0.00 0.00 62 G 8.33 3.80 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 0.00 63 Q 7.54 4.39 0.00 1.96 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.72 0.00 0.00 0.00 0.00 0.00 2.52 2.31 0.00 64 Y 8.92 4.79 0.00 2.88 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 65 L 9.01 4.37 0.00 1.58 1.45 0.79 0.13 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 66 A 8.63 5.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 M 8.73 5.39 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.63 0.00 68 D 9.48 5.22 0.00 2.98 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 69 T 8.50 4.20 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 1.34 0.00 0.00 70 D 8.38 4.59 0.00 2.79 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 71 G 8.65 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 L 7.85 4.66 0.00 2.03 1.61 0.87 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 73 L 8.34 5.11 0.00 1.57 1.62 0.90 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.73 4.91 0.00 3.00 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 75 G 9.06 4.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 S 9.17 5.07 0.00 3.65 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 77 Q 9.01 4.46 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.55 0.00 0.00 0.00 0.00 0.00 2.43 2.33 0.00 78 T 7.75 4.67 4.14 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 1.21 0.00 0.00 79 P 0.00 3.84 0.00 0.56 0.49 0.00 3.44 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.24 0.00 80 N 7.29 4.78 0.00 2.96 2.99 0.00 0.00 5.84 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.71 3.88 0.00 2.12 2.25 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 2.36 2.33 0.00 82 E 9.04 4.13 0.00 2.20 2.30 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 2.39 2.46 0.00 83 A 7.82 5.02 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 84 L 7.13 4.32 0.00 1.61 1.33 0.79 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 85 F 8.97 5.14 0.00 3.09 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 86 L 9.21 4.88 0.00 1.50 1.59 0.88 0.87 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 87 E 8.92 4.54 0.00 2.11 1.91 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 2.18 1.92 0.00 88 R 8.53 4.84 0.00 1.78 1.80 0.00 3.11 0.00 0.00 2.90 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 89 L 8.70 4.73 0.00 1.58 1.69 0.99 0.74 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 90 E 9.09 4.71 0.00 2.23 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 2.31 2.46 0.00 91 E 9.80 3.99 0.00 2.42 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.41 0.00 92 N 8.60 4.32 0.00 2.85 2.89 0.00 0.00 6.84 8.16 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 93 H 8.52 4.83 0.00 2.80 2.82 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.73 4.66 0.00 3.00 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 95 N 9.73 5.52 0.00 3.03 2.64 0.00 0.00 6.95 7.13 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 96 T 8.86 5.29 4.56 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 1.38 0.00 0.00 97 Y 8.58 5.01 0.00 2.74 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 98 I 8.45 4.58 1.67 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.39 0.65 0.00 0.00 99 S 8.82 4.01 0.00 4.04 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 0.00 100 K 8.76 3.97 0.00 1.68 1.67 0.00 1.60 0.00 0.00 1.47 0.00 0.00 2.80 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.30 7.81 101 K 7.96 3.77 0.00 1.61 1.66 0.00 1.73 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.04 1.33 7.81 102 H 8.42 4.83 0.00 3.24 2.53 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.83 3.98 1.38 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 0.00 0.00 0.00 104 E 8.06 3.93 0.00 1.94 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 2.18 2.14 0.00 105 K 7.67 4.01 0.00 0.79 1.01 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.52 0.00 0.00 2.60 0.00 0.00 0.00 0.00 1.00 0.87 7.81 106 N 7.67 3.99 0.00 3.02 3.13 0.00 0.00 6.91 7.14 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 0.00 107 W 7.79 5.02 0.00 3.27 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 0.00 108 F 9.16 5.35 0.00 2.88 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 0.00 109 V 9.03 3.97 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 0.62 0.00 0.00 0.50 0.00 0.00 110 G 8.60 4.46 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 0.00 111 L 8.14 5.25 0.00 1.41 1.47 1.01 0.89 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 0.00 112 K 9.14 4.27 0.00 1.97 1.69 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.44 7.81 113 K 8.34 4.05 0.00 1.71 1.84 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.37 1.40 7.81 114 N 8.03 4.51 0.00 2.78 2.90 0.00 0.00 6.28 7.00 0.00 0.00 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 G 7.97 3.55 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 0.00 116 S 8.51 4.91 0.00 3.83 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 0.00 117 C 8.48 4.77 0.00 3.01 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 0.00 118 K 9.03 4.39 0.00 1.62 1.74 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.40 1.37 7.81 119 R 8.29 4.43 0.00 1.74 1.61 0.00 3.07 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 120 G 8.60 3.32 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 0.00 121 P 0.00 4.36 0.00 1.97 2.24 0.00 3.11 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.78 0.00 122 R 8.04 4.48 0.00 1.83 1.92 0.00 3.29 0.00 0.00 3.29 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.61 5.26 4.34 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 1.38 0.00 0.00 124 H 7.89 4.64 0.00 3.43 3.52 0.00 5.68 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.70 3.96 0.00 3.12 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 0.00 126 G 9.01 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 0.00 127 Q 7.39 4.19 0.00 1.86 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.73 0.00 0.00 0.00 0.00 0.00 2.16 1.98 0.00 128 K 8.27 3.87 0.00 1.73 1.63 0.00 1.53 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.27 7.81 129 A 7.75 3.91 1.20 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 0.00 0.00 130 I 7.17 4.45 1.74 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.84 0.57 0.00 0.00 131 L 7.19 4.34 0.00 1.17 0.72 0.31 0.65 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 0.00 132 F 9.35 5.33 0.00 3.42 3.13 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 0.00 133 L 9.36 5.27 0.00 2.01 1.80 0.82 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.10 0.00 2.22 2.20 0.00 3.87 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.10 0.00 135 L 9.35 5.10 0.00 1.65 1.60 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.67 0.00 2.06 2.06 0.00 3.79 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 137 V 8.19 3.72 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 0.65 0.00 0.00 0.91 0.00 0.00