NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.8914 8.3549 109.7322 45.4910 0.0000 173.9179 1 M 4.0443 7.7595 119.8159 52.9437 33.1334 174.2071 2 K 4.6790 8.7560 123.1268 54.7379 35.5018 175.8024 3 F 5.0044 8.2630 119.2957 53.8118 42.7487 175.8765 4 Q 4.1036 9.2774 124.3511 59.2874 28.6337 178.4170 5 Y 4.1519 8.8454 120.7050 60.7976 38.5735 178.5776 6 K 4.1571 8.0846 117.8933 59.6463 32.2813 179.0319 7 E 4.1389 8.1796 117.1898 58.8134 29.5831 178.0847 8 E 4.2722 8.2818 116.4072 56.0418 30.3102 175.9232 9 H 4.8266 7.1454 114.5778 52.6997 33.0726 174.0587 10 S 4.2662 8.6522 119.0508 58.7703 64.5541 175.3516 11 F 4.1180 9.0337 127.2983 61.5981 39.2407 176.9756 12 E 3.9545 8.5547 118.1759 59.6422 29.2854 179.0034 13 K 4.0889 8.0473 117.6893 59.2917 32.0790 179.5965 14 R 4.1126 8.2341 118.6985 59.0606 29.9628 178.8358 15 K 4.1316 8.5413 120.8516 58.8852 32.1055 178.5533 16 A 3.9279 7.7994 120.5189 55.2641 18.3244 179.2575 17 E 3.9845 8.1377 118.0405 59.3164 29.8309 179.2554 18 G 3.2639 8.3802 106.0434 47.6095 0.0000 175.3584 19 E 3.5729 8.3484 122.2460 58.4782 29.2899 178.9817 20 K 3.7410 8.1427 119.1784 60.0104 32.6908 179.2926 21 I 3.7399 7.7522 120.9900 64.1144 37.1271 178.0870 22 R 3.9889 7.5369 116.7211 57.5884 30.3362 177.4767 23 R 4.0979 7.1038 117.6605 58.1989 30.4845 177.3747 24 K 3.8342 8.7498 117.3753 58.4242 32.8006 176.8304 25 Y 4.9279 7.9334 115.9892 56.6598 39.8086 173.7046 26 P 3.8181 0.0000 0.0000 64.8153 32.2454 177.7511 27 D 4.4660 8.3433 118.9199 57.0037 41.1652 175.8188 28 R 5.1060 8.7448 116.3136 54.2576 34.4915 175.3951 29 V 4.0255 8.6585 114.1740 58.7261 35.3895 173.0731 30 P 5.1620 0.0000 0.0000 62.0493 33.0026 175.2543 31 V 4.8902 9.2019 123.3429 59.9381 35.1389 174.1895 32 I 4.6711 8.1047 124.1940 59.6390 38.8838 174.6233 33 V 5.0328 9.0037 127.2416 61.3052 33.8288 174.1700 34 E 4.9619 9.6290 126.5915 54.1746 34.1808 174.9766 35 K 2.5638 8.2805 123.1299 55.4869 33.1059 176.5292 36 A 3.9345 9.0545 129.8997 50.9496 19.6752 175.0490 37 P 3.9717 0.0000 0.0000 64.2909 31.8601 177.0243 38 K 3.7547 8.5964 124.6141 57.0773 29.6794 175.1291 39 A 4.1149 7.8701 121.5083 52.5847 19.5750 179.3616 40 R 4.4887 8.4002 122.0497 54.0144 28.8530 174.4527 41 L 4.6549 7.3480 119.0292 53.8005 44.0556 176.4207 42 G 3.8629 8.6000 107.5321 46.0497 0.0000 173.2499 43 D 4.7534 8.4608 121.9891 53.4729 41.7550 176.2031 44 L 4.4545 8.5383 123.4748 55.0280 42.9777 176.1623 45 D 4.7223 8.6477 120.9548 53.6187 40.6181 176.7016 46 K 4.4695 7.8183 117.7677 54.6507 34.5837 176.0031 47 K 4.5374 8.7406 124.1419 57.5932 33.4426 176.6066 48 K 4.8076 7.6539 121.0007 54.7909 33.7554 175.0594 49 Y 4.7719 9.3679 125.0773 56.1464 42.2246 174.9410 50 L 5.0252 8.5513 122.4766 53.6432 43.8891 175.6119 51 V 4.4916 8.2851 119.1629 58.4794 34.9488 173.7195 52 P 4.5047 0.0000 0.0000 62.4732 31.3546 177.7166 53 S 4.0876 8.8953 119.6502 61.0894 62.4686 175.6422 54 D 4.4853 7.9029 117.9286 54.7105 39.9744 176.4402 55 L 4.2711 7.8052 123.4227 55.0516 42.8012 176.2546 56 T 4.7752 9.0836 116.0230 60.9549 71.3827 176.3046 57 V 3.8533 8.5088 121.6580 66.0655 31.5540 178.5434 58 G 3.8518 8.1143 105.5994 48.2282 0.0000 175.7574 59 Q 4.2084 8.1735 120.4080 58.2048 28.7282 178.6015 60 F 4.3403 8.6914 122.5067 61.3571 39.4356 176.5446 61 Y 3.7891 8.5921 116.9720 61.1792 37.3798 178.4673 62 F 3.9789 8.3748 121.1531 61.6158 39.4618 177.2458 63 L 3.9030 7.8110 118.0883 57.5593 41.3615 179.5251 64 I 3.4403 7.3156 119.7694 64.1092 36.9678 178.4195 65 R 3.6731 8.0957 119.3838 59.1313 29.8458 179.3127 66 K 3.7369 7.2473 117.6512 59.4247 31.8550 179.3708 67 R 3.8232 7.5415 117.1343 59.1626 30.1678 178.3507 68 I 3.9860 7.4820 109.1204 60.5942 38.4281 174.9015 69 H 3.9640 7.7119 116.2225 57.1467 25.9481 175.1461 70 L 4.2209 7.7404 117.9538 54.7109 42.6286 177.2742 71 R 4.5803 8.5849 119.4130 53.8970 31.9764 175.9841 72 P 4.2068 0.0000 0.0000 65.8609 31.3362 177.8132 73 E 4.0985 7.9982 113.7648 57.9796 29.9661 176.6610 74 D 4.5467 7.7750 119.8424 53.7449 41.7670 175.6289 75 A 4.3971 8.1857 123.9664 51.3087 20.3121 176.5921 76 L 4.7427 7.4170 121.1192 53.8339 45.5606 174.7500 77 F 5.0549 9.5255 124.4992 55.7528 42.7761 174.2326 78 F 5.5838 9.0594 122.4080 57.1039 40.6469 174.7131 79 F 5.4186 9.8391 121.2445 55.7244 42.5853 174.0409 80 V 4.5178 8.8074 123.6615 61.6292 34.0458 175.2906 81 N 4.1136 9.9605 125.0465 54.4503 36.1848 174.4960 82 N 4.3604 8.5749 112.6593 53.5155 37.9288 173.3420 83 V 4.5925 7.7537 116.0310 61.2170 34.3490 174.3616 84 I 4.9281 8.6667 127.1263 60.1834 37.2898 174.1962 85 P 4.8319 0.0000 0.0000 61.3198 33.0277 173.8521 86 P 4.6937 0.0000 0.0000 62.4933 32.0678 177.5057 87 T 4.1323 9.0141 114.1347 64.6285 68.9903 176.3697 88 S 4.0729 8.2943 117.4967 61.3679 63.2716 174.9445 89 A 4.1961 7.7070 122.8334 52.0634 19.0138 177.0733 90 T 4.6422 8.1352 111.1134 61.3611 71.4966 175.9543 91 M 4.1989 9.0454 121.5566 58.1064 31.9851 179.3235 92 G 3.7153 8.6013 107.4224 46.0773 0.0000 175.0542 93 S 4.6738 7.6374 113.8578 58.7623 64.5276 176.1563 94 L 3.9460 7.7351 124.0153 58.7839 41.7872 177.5829 95 Y 3.9886 8.4150 119.4995 60.9259 38.3675 177.6433 96 Q 3.9481 8.2523 120.6459 59.5367 29.3260 178.6118 97 E 4.1461 7.9204 118.0854 57.8982 29.8202 176.6318 98 H 4.7975 7.6232 111.6749 55.3828 31.4968 172.9214 99 H 4.0822 7.8572 116.2333 55.5019 28.6558 174.3591 100 D 4.7015 8.9040 120.5615 52.9354 42.1827 177.0923 101 E 3.8100 8.6793 120.9821 59.2149 29.5627 178.0085 102 D 4.3975 8.8061 116.7215 53.0215 39.5449 176.9196 103 F 3.8522 8.0278 116.8612 58.7218 37.3196 174.8552 104 F 4.8848 9.1485 119.8221 56.3163 41.3524 174.3515 105 L 4.8898 8.8171 123.3048 54.0219 43.7146 174.6047 106 Y 4.6321 8.6130 123.7267 56.3499 39.8226 175.0748 107 I 4.9035 8.7792 124.3556 59.6202 40.8491 174.7640 108 A 5.9400 9.7225 129.0446 50.1042 21.8454 175.3880 109 F 6.0075 8.2549 112.7687 55.9721 42.1118 173.2522 110 S 5.2193 9.7068 113.8195 57.8331 66.2372 174.0898 111 D 4.9449 9.0928 120.3154 53.5557 39.9424 175.9977 112 E 4.8504 8.5666 120.1049 54.7219 31.9188 175.5650 113 N 4.0593 8.1560 116.8876 52.9664 37.6965 174.8939 114 V 4.4121 7.3009 118.6268 60.9582 34.0511 174.4363 115 Y 3.4278 8.1728 126.3307 57.6678 38.4800 175.4153 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 0 G 8.35 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 1 M 7.76 4.04 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.44 0.00 2 K 8.76 4.68 0.00 1.74 1.69 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.52 7.81 3 F 8.26 5.00 0.00 3.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 9.28 4.10 0.00 2.23 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.87 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 5 Y 8.85 4.15 0.00 3.40 3.27 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 6 K 8.08 4.16 0.00 2.09 1.91 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.45 1.37 7.81 7 E 8.18 4.14 0.00 1.95 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 0.00 2.33 2.59 0.00 8 E 8.28 4.27 0.00 1.81 1.74 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 2.25 2.31 0.00 9 H 7.15 4.83 0.00 2.77 3.00 0.00 5.87 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.65 4.27 0.00 4.02 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 11 F 9.03 4.12 0.00 3.23 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 12 E 8.55 3.95 0.00 2.22 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.48 0.00 13 K 8.05 4.09 0.00 1.87 1.88 0.00 1.75 0.00 0.00 1.85 0.00 0.00 2.98 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.56 1.56 7.81 14 R 8.23 4.11 0.00 2.07 2.17 0.00 2.90 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.67 0.00 15 K 8.54 4.13 0.00 1.24 1.65 0.00 1.77 0.00 0.00 1.80 0.00 0.00 3.10 0.00 0.00 3.41 0.00 0.00 0.00 0.00 1.53 1.55 7.81 16 A 7.80 3.93 1.37 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 0.00 0.00 17 E 8.14 3.98 0.00 2.09 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 0.00 2.40 2.40 0.00 18 G 8.38 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 0.00 0.00 0.00 19 E 8.35 3.57 0.00 2.10 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.47 0.00 20 K 8.14 3.74 0.00 1.99 1.98 0.00 1.37 0.00 0.00 1.61 0.00 0.00 3.02 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.63 7.81 21 I 7.75 3.74 1.70 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 1.31 0.71 0.83 0.00 0.00 22 R 7.54 3.99 0.00 1.76 1.88 0.00 3.10 0.00 0.00 2.65 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.73 0.00 23 R 7.10 4.10 0.00 1.79 1.90 0.00 3.18 0.00 0.00 3.06 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.46 0.00 24 K 8.75 3.83 0.00 1.33 1.63 0.00 1.70 0.00 0.00 1.58 0.00 0.00 2.75 0.00 0.00 2.64 0.00 0.00 0.00 0.00 0.30 0.78 7.81 25 Y 7.93 4.93 0.00 3.09 2.70 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 26 P 0.00 3.82 0.00 2.15 2.16 0.00 3.78 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 1.97 1.93 0.00 27 D 8.34 4.47 0.00 2.83 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 28 R 8.74 5.11 0.00 1.40 1.73 0.00 2.56 0.00 0.00 2.73 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.52 0.00 29 V 8.66 4.03 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 0.43 0.00 0.00 0.72 0.00 0.00 30 P 0.00 5.16 0.00 1.33 1.81 0.00 2.94 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.50 0.00 31 V 9.20 4.89 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 0.60 0.00 0.00 0.88 0.00 0.00 32 I 8.10 4.67 0.76 0.00 0.00 -0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.06 -0.36 0.66 0.00 0.00 33 V 9.00 5.03 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 1.23 0.00 0.00 0.98 0.00 0.00 34 E 9.63 4.96 0.00 2.24 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 2.41 2.54 0.00 35 K 8.28 2.56 0.00 1.31 1.45 0.00 1.96 0.00 0.00 1.93 0.00 0.00 2.73 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.23 1.13 7.81 36 A 9.05 3.93 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 3.97 0.00 1.79 1.92 0.00 3.25 0.00 0.00 3.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.98 0.00 38 K 8.60 3.75 0.00 1.72 1.80 0.00 1.60 0.00 0.00 1.67 0.00 0.00 3.11 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.45 7.81 39 A 7.87 4.11 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 40 R 8.40 4.49 0.00 1.83 1.92 0.00 3.21 0.00 0.00 3.29 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 41 L 7.35 4.65 0.00 1.77 1.70 1.21 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 42 G 8.60 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 43 D 8.46 4.75 0.00 2.76 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 44 L 8.54 4.45 0.00 1.99 1.78 1.29 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.65 4.72 0.00 2.86 2.83 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 46 K 7.82 4.47 0.00 1.62 1.73 0.00 1.30 0.00 0.00 1.65 0.00 0.00 2.75 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.28 0.33 7.81 47 K 8.74 4.54 0.00 1.70 1.77 0.00 2.06 0.00 0.00 1.97 0.00 0.00 3.14 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.66 1.39 7.81 48 K 7.65 4.81 0.00 1.38 1.51 0.00 1.88 0.00 0.00 1.50 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.26 1.45 7.81 49 Y 9.37 4.77 0.00 3.02 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 L 8.55 5.03 0.00 1.51 1.44 0.82 0.55 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 51 V 8.29 4.49 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 0.69 0.00 0.00 0.62 0.00 0.00 52 P 0.00 4.50 0.00 2.14 1.94 0.00 3.60 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.05 0.00 53 S 8.90 4.09 0.00 3.80 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 54 D 7.90 4.49 0.00 2.82 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 55 L 7.81 4.27 0.00 1.85 1.65 1.00 0.74 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 56 T 9.08 4.78 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 57 V 8.51 3.85 2.36 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 1.36 0.00 0.00 1.08 0.00 0.00 58 G 8.11 3.85 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 0.00 0.00 0.00 59 Q 8.17 4.21 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.77 0.00 0.00 0.00 0.00 0.00 2.34 2.39 0.00 60 F 8.69 4.34 0.00 3.23 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 61 Y 8.59 3.79 0.00 3.27 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 62 F 8.37 3.98 0.00 3.20 3.33 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 63 L 7.81 3.90 0.00 1.64 1.60 1.06 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 64 I 7.32 3.44 1.68 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.03 0.67 0.00 0.00 65 R 8.10 3.67 0.00 1.64 1.75 0.00 2.96 0.00 0.00 2.97 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.73 0.00 66 K 7.25 3.74 0.00 1.71 1.68 0.00 1.50 0.00 0.00 1.48 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.91 1.33 7.81 67 R 7.54 3.82 0.00 1.86 2.01 0.00 3.27 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.95 0.00 68 I 7.48 3.99 1.83 0.00 0.00 0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.38 0.70 0.00 0.00 69 H 7.71 3.96 0.00 3.34 3.46 0.00 5.85 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 L 7.74 4.22 0.00 1.70 1.49 0.88 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 71 R 8.58 4.58 0.00 1.94 1.88 0.00 3.14 0.00 0.00 3.15 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.56 0.00 72 P 0.00 4.21 0.00 2.00 2.11 0.00 3.65 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 2.01 2.08 0.00 73 E 8.00 4.10 0.00 2.05 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 2.26 2.26 0.00 74 D 7.78 4.55 0.00 2.73 2.60 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 0.00 75 A 8.19 4.40 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 76 L 7.42 4.74 0.00 1.46 1.29 0.94 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 77 F 9.53 5.05 0.00 3.18 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 78 F 9.06 5.58 0.00 2.76 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 79 F 9.84 5.42 0.00 3.08 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 80 V 8.81 4.52 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 0.94 0.00 0.00 0.93 0.00 0.00 81 N 9.96 4.11 0.00 2.79 2.82 0.00 0.00 7.15 8.00 0.00 0.00 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 N 8.57 4.36 0.00 2.79 2.97 0.00 0.00 6.92 7.71 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 83 V 7.75 4.59 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 1.07 0.00 0.00 0.98 0.00 0.00 84 I 8.67 4.93 1.93 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 1.41 1.04 0.00 0.00 85 P 0.00 4.83 0.00 2.18 2.11 0.00 3.98 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.06 0.00 86 P 0.00 4.69 0.00 2.20 2.28 0.00 3.79 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 2.13 2.02 0.00 87 T 9.01 4.13 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 1.31 0.00 0.00 88 S 8.29 4.07 0.00 3.92 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 A 7.71 4.20 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 90 T 8.14 4.64 4.51 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 1.23 0.00 0.00 91 M 9.05 4.20 0.00 1.79 2.03 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.75 0.00 92 G 8.60 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 7.64 4.67 0.00 4.13 4.12 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 0.00 0.00 0.00 0.00 94 L 7.74 3.95 0.00 2.10 1.82 0.91 0.66 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 95 Y 8.42 3.99 0.00 3.14 3.11 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 0.00 0.00 0.00 96 Q 8.25 3.95 0.00 2.41 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.73 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 97 E 7.92 4.15 0.00 2.13 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.24 0.00 98 H 7.62 4.80 0.00 3.22 3.29 0.00 5.72 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 H 7.86 4.08 0.00 2.77 2.06 0.00 5.74 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 0.00 100 D 8.90 4.70 0.00 3.05 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 0.00 101 E 8.68 3.81 0.00 2.47 2.23 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 2.35 2.32 0.00 102 D 8.81 4.40 0.00 3.01 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 0.00 103 F 8.03 3.85 0.00 3.12 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 0.00 104 F 9.15 4.88 0.00 2.91 2.51 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 0.00 105 L 8.82 4.89 0.00 1.93 1.64 0.99 1.26 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 0.00 106 Y 8.61 4.63 0.00 2.59 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 0.00 0.00 0.00 0.00 107 I 8.78 4.90 1.71 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.65 0.31 0.00 0.00 108 A 9.72 5.94 1.47 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 0.00 0.00 0.00 109 F 8.25 6.01 0.00 3.43 3.51 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 0.00 110 S 9.71 5.22 0.00 4.05 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 D 9.09 4.94 0.00 2.95 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 0.00 112 E 8.57 4.85 0.00 1.97 1.89 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 2.32 2.37 0.00 113 N 8.16 4.06 0.00 2.26 1.54 0.00 0.00 5.78 7.68 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 0.00 114 V 7.30 4.41 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 0.79 0.00 0.00 0.93 0.00 0.00 115 Y 8.17 3.43 0.00 1.87 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00