NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.4512 0.0000 0.0000 62.6191 32.8090 175.4713 3 S 4.4813 8.1206 114.4583 55.9481 65.8853 170.7537 4 E 4.0997 9.4066 123.0916 56.1217 30.7991 178.4485 5 K 4.1381 8.4791 121.2327 57.0447 32.8593 177.4301 6 T 4.4219 8.9779 114.2414 60.6086 70.3186 175.4495 7 F 4.1831 9.5076 123.2771 61.5982 38.9783 177.1171 8 K 3.9495 8.2807 116.2726 59.4448 31.9491 178.5097 9 Q 4.1816 7.7959 115.9547 57.2059 28.9368 176.7603 10 R 4.3710 7.5763 117.5691 56.1047 31.3332 176.3795 11 R 4.5425 7.2832 117.4845 53.4473 33.0048 175.1793 12 T 4.1732 8.8662 116.1573 61.1884 70.8769 175.2113 13 F 4.1764 8.8743 123.8429 61.8718 39.3532 177.2862 14 E 3.9242 8.3089 117.4013 59.5427 29.2459 179.2187 15 Q 4.0219 8.0867 118.0487 59.0012 28.7464 179.1412 16 R 4.1904 8.3363 119.4678 59.2517 30.0730 179.1736 17 V 3.6494 7.7888 119.7944 65.3977 31.4702 177.7061 18 E 3.8731 8.1683 118.9391 59.1818 29.4641 178.1999 19 D 4.4179 8.3418 119.2851 57.6933 40.9080 179.3171 20 V 3.2942 7.5805 118.3633 65.6532 31.0581 177.7999 21 R 3.8300 8.1306 118.8289 59.5724 29.8539 178.5073 22 L 3.9673 7.9513 118.5182 57.8871 41.6079 179.3717 23 I 3.8160 7.7976 118.3011 63.7385 37.6464 178.1178 24 R 3.9429 8.0159 118.8711 58.9955 29.8966 178.4299 25 E 4.0831 7.6542 117.4550 59.3357 29.5377 178.7636 26 Q 4.0836 7.8477 118.6534 57.9945 30.7793 175.8663 27 H 4.9420 8.3466 116.3390 53.5252 28.9710 172.2549 28 P 4.4917 0.0000 0.0000 64.3749 32.1117 177.9406 29 T 4.5749 7.8247 108.8343 61.2724 69.2407 173.4624 30 K 4.9610 7.7488 121.1097 54.8893 35.2910 175.5835 31 I 3.8632 8.6449 125.1552 59.4967 38.9001 173.2010 32 P 4.9731 0.0000 0.0000 62.3917 32.6558 175.1551 33 V 4.9127 9.1349 124.8652 60.9547 35.1048 173.9499 34 I 4.5829 8.4884 128.3312 59.6365 39.0307 174.5052 35 I 5.0713 8.5757 128.2099 59.6553 39.3060 175.0251 36 E 4.8864 9.1973 125.5692 54.2263 34.2933 174.8992 37 R 2.9315 8.2854 122.1658 55.5560 31.0792 175.5338 38 Y 4.1450 8.4451 127.6324 57.5672 40.0330 175.6334 39 K 3.8057 7.8976 126.6955 58.1129 32.4189 177.0674 40 G 3.9476 8.8262 114.0328 45.3916 0.0000 172.9853 41 E 4.1658 8.1197 121.4688 56.3264 29.7900 176.3294 42 K 4.5888 8.5541 123.8750 56.5604 34.5124 177.5937 43 Q 4.1447 8.2825 117.5346 58.7350 29.0639 176.5428 44 L 4.1875 8.6267 118.6417 53.9444 42.2389 175.6894 45 P 4.5826 0.0000 0.0000 62.1017 32.3116 175.9766 46 V 4.0232 8.0442 118.8011 62.2954 32.1583 175.8687 47 L 4.3452 8.1668 127.1963 54.4528 42.1271 177.3549 48 D 4.4976 8.7468 121.1904 55.3993 39.7002 176.0443 49 K 4.6857 7.9054 116.7416 54.7984 36.1624 175.1201 50 T 4.4781 7.9908 113.6672 64.7124 71.5902 174.4044 51 K 4.6441 7.3666 119.8976 54.8308 33.3140 176.1478 52 F 4.9924 9.2985 123.3690 55.5409 43.6746 173.7839 53 L 5.2243 8.6415 119.7974 53.0107 44.4472 176.0807 54 V 4.3857 8.4451 123.5431 60.0502 34.0417 172.9785 55 P 4.5800 0.0000 0.0000 63.3141 32.0668 176.3326 56 D 4.7577 9.0197 122.9364 54.4725 39.4657 176.5517 57 H 4.7002 7.9822 113.8853 55.9675 29.8910 175.6728 58 V 3.8132 7.0628 114.4280 61.0550 32.1377 175.1628 59 N 5.1735 8.1628 119.2080 51.5706 39.4080 175.9536 60 M 4.0710 8.5643 118.2093 58.2614 31.7375 179.0952 61 S 4.0438 8.4341 115.0823 61.6322 62.9113 176.4011 62 E 3.8750 8.5046 122.9831 58.7130 29.3049 178.5122 63 L 3.8983 7.6907 120.3741 58.1074 42.0446 178.9273 64 I 3.7511 8.0453 120.1451 64.2392 37.0483 178.1676 65 K 3.8884 8.1268 120.3666 59.6894 32.0030 178.8343 66 I 3.6659 7.8633 119.9715 64.4015 36.9119 178.6020 67 I 3.4921 7.9567 120.8329 64.2658 37.0279 178.4716 68 R 3.5856 8.2065 119.2599 59.3269 30.0259 179.0818 69 R 3.8226 7.9120 118.1912 59.4782 29.8923 178.6093 70 R 3.8808 7.7663 117.3196 59.1793 30.1472 178.0245 71 L 3.9495 7.8392 117.5216 54.9207 42.0066 176.6377 72 Q 3.5047 7.6479 116.4741 56.7771 26.4203 173.9967 73 L 4.3018 7.4007 115.9252 54.3302 42.6802 177.5187 74 N 4.5158 8.9656 118.6548 52.9603 39.0819 176.6416 75 A 3.9540 8.6219 124.2318 54.7435 18.6268 178.2393 76 N 4.6864 8.0139 110.7932 52.5545 37.6539 174.4541 77 Q 4.2173 8.0687 121.0322 55.3814 29.2028 174.8898 78 A 4.6668 8.4145 128.0401 51.4583 20.4786 175.6586 79 F 5.6102 8.1782 114.5182 55.7632 41.7789 173.3185 80 F 4.4864 9.8074 117.4845 55.3646 42.5167 174.1405 81 L 5.3292 8.5275 124.2521 53.4033 43.9952 175.2016 82 L 5.0925 9.2765 126.6521 53.1193 44.8539 176.0687 83 V 4.8013 9.1138 116.9108 59.8404 34.6219 175.1814 84 N 4.4337 8.8567 119.6962 55.3123 38.1577 174.7623 85 G 4.3398 8.0482 100.0414 45.3556 0.0000 173.5217 86 H 4.9574 7.9650 110.7484 54.9360 31.9369 174.1448 87 S 4.6583 8.3503 117.6772 57.5614 63.7608 173.8376 88 M 4.6207 8.4995 124.5336 55.0480 32.7140 176.0755 89 V 4.5031 7.8812 113.9003 59.2655 35.3713 175.7312 90 S 4.2799 8.4101 117.9848 57.9845 63.0735 175.6250 91 V 3.6769 8.3560 120.3820 63.9922 31.4820 177.7834 92 S 4.3780 7.5364 112.7281 59.1071 63.7102 174.4666 93 T 4.1031 7.8086 120.3923 62.4775 69.0074 172.3793 94 P 4.7505 0.0000 0.0000 62.6731 33.1868 177.4316 95 I 3.7711 8.9210 122.3094 64.1591 37.9244 178.5989 96 S 4.3337 8.0765 114.8589 61.1602 62.9677 176.0621 97 E 3.9434 8.1440 122.6436 59.1046 29.4790 178.6493 98 V 3.6329 7.7513 118.1124 66.0932 31.5982 177.1695 99 Y 4.2246 8.4919 119.6087 61.0983 38.5004 178.1386 100 E 3.9445 8.2552 117.4022 58.3036 29.6391 178.4720 101 S 4.5711 7.7997 112.7777 59.0046 63.9671 174.5407 102 E 4.6784 8.0906 118.5827 55.0736 30.9639 176.1635 103 K 4.1989 7.7631 118.9504 56.6496 33.1246 176.4569 104 D 4.7122 9.2124 121.1048 53.9638 41.8775 177.0793 105 E 4.1097 8.8721 122.0604 59.2316 29.7201 178.1352 106 D 4.3313 9.0618 117.4525 54.0067 39.9196 177.9578 107 G 4.1001 8.4330 109.1657 45.0853 0.0000 173.8849 108 F 4.6899 8.8632 119.1479 57.1985 40.6821 174.3666 109 L 4.9757 9.0854 124.6727 54.3700 43.4047 174.8339 110 Y 4.9692 8.8906 124.3261 57.3410 39.9714 174.5809 111 M 5.4413 9.4169 122.7089 53.8439 36.8688 174.6714 112 V 5.7956 9.3722 114.8141 58.7260 36.1191 174.1311 113 Y 5.6943 8.0192 119.8461 55.5179 41.2572 174.1889 114 A 5.2347 9.1650 122.2558 50.3729 23.3894 175.9666 115 S 4.9896 9.8721 114.7550 57.5930 64.4706 175.2529 116 Q 4.5211 8.8341 122.2002 59.7323 28.7666 178.7963 117 E 4.0161 8.2884 118.8992 59.8536 29.7695 179.0560 118 T 3.9099 8.1497 115.6181 66.9390 68.3729 176.4535 119 F 3.9465 8.5231 121.6578 60.7967 39.3154 177.3040 120 G 3.7214 8.1387 105.3420 48.0061 0.0000 175.5505 121 M 4.1980 7.7003 117.8114 56.9303 31.4232 176.1645 122 K 3.9959 7.2419 124.7103 56.6261 32.3004 176.0133 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 P 0.00 4.45 0.00 2.05 2.04 0.00 3.61 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 1.92 2.07 0.00 3 S 8.12 4.48 0.00 3.95 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 4 E 9.41 4.10 0.00 1.98 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 2.32 2.29 0.00 5 K 8.48 4.14 0.00 1.74 1.76 0.00 1.73 0.00 0.00 1.91 0.00 0.00 3.02 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.43 7.81 6 T 8.98 4.42 4.42 0.00 0.00 0.00 0.00 0.00 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 7 F 9.51 4.18 0.00 3.10 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 8 K 8.28 3.95 0.00 1.77 1.87 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.73 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.57 1.57 7.81 9 Q 7.80 4.18 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.76 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 10 R 7.58 4.37 0.00 1.79 1.90 0.00 3.12 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.77 0.00 11 R 7.28 4.54 0.00 1.08 1.09 0.00 3.02 0.00 0.00 2.84 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.56 0.00 12 T 8.87 4.17 4.41 0.00 0.00 0.00 0.00 0.00 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 13 F 8.87 4.18 0.00 3.16 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 14 E 8.31 3.92 0.00 2.14 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 2.47 2.58 0.00 15 Q 8.09 4.02 0.00 2.27 2.15 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 2.40 0.00 16 R 8.34 4.19 0.00 2.04 2.51 0.00 3.73 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.76 0.00 17 V 7.79 3.65 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 1.11 0.00 0.00 0.19 0.00 0.00 18 E 8.17 3.87 0.00 2.11 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 0.00 2.30 2.39 0.00 19 D 8.34 4.42 0.00 3.12 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 20 V 7.58 3.29 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 0.94 0.00 0.00 -0.06 0.00 0.00 21 R 8.13 3.83 0.00 1.93 2.01 0.00 3.14 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 1.61 1.67 0.00 22 L 7.95 3.97 0.00 1.88 1.68 0.92 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 23 I 7.80 3.82 1.96 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.49 0.86 0.00 0.00 24 R 8.02 3.94 0.00 1.78 1.96 0.00 3.44 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.83 0.00 25 E 7.65 4.08 0.00 2.05 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 2.54 2.44 0.00 26 Q 7.85 4.08 0.00 1.98 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.24 0.00 0.00 0.00 0.00 0.00 1.99 2.27 0.00 27 H 8.35 4.94 0.00 3.22 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.49 0.00 2.17 2.28 0.00 3.73 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 29 T 7.82 4.57 4.25 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 1.21 0.00 0.00 30 K 7.75 4.96 0.00 1.60 1.66 0.00 1.59 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.32 1.36 7.81 31 I 8.64 3.86 1.73 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.88 0.58 0.00 0.00 32 P 0.00 4.97 0.00 1.84 2.01 0.00 2.89 0.00 0.00 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.74 0.00 33 V 9.13 4.91 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 1.15 0.00 0.00 1.00 0.00 0.00 34 I 8.49 4.58 0.99 0.00 0.00 -0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.05 -0.36 0.66 0.00 0.00 35 I 8.58 5.07 1.93 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.67 1.03 0.00 0.00 36 E 9.20 4.89 0.00 1.90 1.77 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 2.27 2.28 0.00 37 R 8.29 2.93 0.00 1.57 1.67 0.00 3.44 0.00 0.00 3.43 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.31 0.00 38 Y 8.45 4.15 0.00 3.13 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 39 K 7.90 3.81 0.00 1.45 1.17 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.82 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.26 1.32 7.81 40 G 8.83 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 0.00 0.00 0.00 41 E 8.12 4.17 0.00 2.14 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 2.44 2.42 0.00 42 K 8.55 4.59 0.00 1.77 1.82 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.38 7.81 43 Q 8.28 4.14 0.00 2.33 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.96 0.00 0.00 0.00 0.00 0.00 2.41 2.48 0.00 44 L 8.63 4.19 0.00 1.82 1.73 1.16 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.58 0.00 2.20 2.07 0.00 3.73 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.99 0.00 46 V 8.04 4.02 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 0.88 0.00 0.00 0.98 0.00 0.00 47 L 8.17 4.35 0.00 1.83 1.87 0.99 0.95 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 48 D 8.75 4.50 0.00 2.80 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 49 K 7.91 4.69 0.00 1.56 1.24 0.00 1.57 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.31 1.25 7.81 50 T 7.99 4.48 4.06 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 0.96 0.00 0.00 51 K 7.37 4.64 0.00 1.40 1.63 0.00 1.84 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.81 0.90 7.81 52 F 9.30 4.99 0.00 2.85 2.84 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 53 L 8.64 5.22 0.00 1.45 1.50 0.85 0.78 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 54 V 8.45 4.39 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 0.93 0.00 0.00 0.91 0.00 0.00 55 P 0.00 4.58 0.00 1.95 2.00 0.00 3.59 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 2.10 2.09 0.00 56 D 9.02 4.76 0.00 2.62 2.76 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 0.00 0.00 0.00 57 H 7.98 4.70 0.00 3.25 3.46 0.00 5.72 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 58 V 7.06 3.81 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 0.54 0.00 0.00 0.92 0.00 0.00 59 N 8.16 5.17 0.00 3.03 2.94 0.00 0.00 5.97 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 60 M 8.56 4.07 0.00 2.04 2.30 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.89 0.00 61 S 8.43 4.04 0.00 3.97 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 0.00 62 E 8.50 3.87 0.00 2.09 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 0.00 2.27 2.32 0.00 63 L 7.69 3.90 0.00 1.71 1.76 0.82 1.24 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 64 I 8.05 3.75 1.96 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 0.76 0.00 0.00 65 K 8.13 3.89 0.00 1.80 1.98 0.00 1.62 0.00 0.00 1.62 0.00 0.00 2.93 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.47 7.81 66 I 7.86 3.67 1.93 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.60 0.81 0.00 0.00 67 I 7.96 3.49 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.70 0.50 0.00 0.00 68 R 8.21 3.59 0.00 2.02 2.01 0.00 3.31 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.35 0.00 69 R 7.91 3.82 0.00 1.95 2.01 0.00 3.07 0.00 0.00 3.07 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 70 R 7.77 3.88 0.00 1.86 1.78 0.00 3.29 0.00 0.00 3.16 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 71 L 7.84 3.95 0.00 1.45 1.44 -0.21 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.65 3.50 0.00 2.20 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.92 0.00 0.00 0.00 0.00 0.00 2.45 2.27 0.00 73 L 7.40 4.30 0.00 1.61 1.56 0.56 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 74 N 8.97 4.52 0.00 2.76 2.73 0.00 0.00 7.10 6.80 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 75 A 8.62 3.95 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 76 N 8.01 4.69 0.00 2.84 2.91 0.00 0.00 5.94 7.39 0.00 0.00 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 8.07 4.22 0.00 2.08 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 78 A 8.41 4.67 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 F 8.18 5.61 0.00 3.31 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 F 9.81 4.49 0.00 2.77 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 81 L 8.53 5.33 0.00 1.68 1.55 1.23 0.99 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 82 L 9.28 5.09 0.00 1.68 1.61 0.95 0.70 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 83 V 9.11 4.80 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.05 0.00 0.00 84 N 8.86 4.43 0.00 3.00 2.98 0.00 0.00 6.91 8.31 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 85 G 8.05 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 0.00 0.00 0.00 0.00 86 H 7.96 4.96 0.00 3.12 3.36 0.00 5.89 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 S 8.35 4.66 0.00 4.13 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 88 M 8.50 4.62 0.00 2.05 2.04 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.65 0.00 89 V 7.88 4.50 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 0.75 0.00 0.00 0.93 0.00 0.00 90 S 8.41 4.28 0.00 3.85 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 91 V 8.36 3.68 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 0.62 0.00 0.00 0.87 0.00 0.00 92 S 7.54 4.38 0.00 3.93 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 93 T 7.81 4.10 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 1.28 0.00 0.00 94 P 0.00 4.75 0.00 2.17 1.99 0.00 3.78 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 95 I 8.92 3.77 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.48 0.98 0.00 0.00 96 S 8.08 4.33 0.00 4.16 4.27 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 97 E 8.14 3.94 0.00 2.09 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.39 0.00 98 V 7.75 3.63 2.28 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 1.09 0.00 0.00 1.03 0.00 0.00 99 Y 8.49 4.22 0.00 3.14 3.18 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 0.00 100 E 8.26 3.94 0.00 2.03 1.99 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 2.68 2.52 0.00 101 S 7.80 4.57 0.00 4.07 3.99 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 0.00 102 E 8.09 4.68 0.00 2.11 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 2.26 2.40 0.00 103 K 7.76 4.20 0.00 1.70 1.25 0.00 1.03 0.00 0.00 0.61 0.00 0.00 2.65 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.21 7.81 104 D 9.21 4.71 0.00 3.28 3.25 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 0.00 105 E 8.87 4.11 0.00 2.24 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 2.38 2.29 0.00 106 D 9.06 4.33 0.00 2.87 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 0.00 107 G 8.43 4.10 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 0.00 0.00 0.00 108 F 8.86 4.69 0.00 3.18 2.49 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 0.00 109 L 9.09 4.98 0.00 2.17 1.73 1.07 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 110 Y 8.89 4.97 0.00 3.03 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 0.00 111 M 9.42 5.44 0.00 2.00 1.98 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 2.59 2.60 0.00 112 V 9.37 5.80 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 0.84 0.00 0.00 1.19 0.00 0.00 113 Y 8.02 5.69 0.00 3.23 3.18 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 0.00 114 A 9.16 5.23 1.04 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 0.00 115 S 9.87 4.99 0.00 4.27 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 0.00 116 Q 8.83 4.52 0.00 2.39 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.84 0.00 0.00 0.00 0.00 0.00 2.54 2.75 0.00 117 E 8.29 4.02 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.52 0.00 118 T 8.15 3.91 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 1.30 0.00 0.00 119 F 8.52 3.95 0.00 2.48 2.84 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 0.00 120 G 8.14 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 0.00 121 M 7.70 4.20 0.00 2.20 2.20 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.59 0.00 122 K 7.24 4.00 0.00 1.91 1.50 0.00 1.72 0.00 0.00 1.77 0.00 0.00 3.30 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.35 1.36 7.81