NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4839 8.3049 120.3307 55.4903 33.1784 174.3279 2 M 4.5085 8.5847 123.6050 52.8375 34.5275 170.1722 3 V 4.3363 8.3186 122.3291 60.8597 34.1511 174.1982 4 W 4.6720 8.9569 135.0000 57.5731 31.1275 175.3165 5 T 4.1769 8.2785 124.1092 61.4465 66.9856 172.7126 6 P 4.4643 0.0000 0.0000 63.6815 32.1681 175.8871 7 V 3.9779 7.4470 119.9659 62.8801 33.1324 175.6664 8 N 4.2533 8.5169 125.0733 54.9258 35.8065 173.7296 9 N 4.9711 7.4263 109.4673 52.8490 40.3549 174.2950 10 K 4.0445 8.2156 115.6532 56.4917 32.7404 176.4166 11 M 4.7673 7.7488 120.0408 53.8099 35.9541 175.3617 12 F 4.8269 8.0534 116.2481 56.9610 40.9788 175.8706 13 E 3.5113 8.1956 122.4033 56.9516 27.9066 175.1122 14 T 3.8277 8.3394 120.9311 66.6388 68.8670 174.2051 15 F 4.5589 9.0032 124.4395 57.4582 36.7333 176.4974 16 S 4.4163 8.2077 114.8482 60.5823 62.8728 174.5485 17 Y 4.3323 8.2585 117.1095 58.0883 38.2068 175.1105 18 L 4.6522 7.6103 120.4081 52.1882 43.5601 174.4740 19 P 4.4446 0.0000 0.0000 61.8888 31.7666 174.9902 20 P 4.3070 0.0000 0.0000 62.7449 31.7528 176.5174 21 L 3.9936 8.3553 122.8254 54.7189 42.1115 177.9827 22 T 4.2100 8.2263 114.2220 61.1471 71.0179 175.1364 23 D 4.3522 8.5873 121.0662 57.7112 40.8034 178.8464 24 E 3.9199 8.0971 119.1276 59.3143 29.6848 178.7812 25 Q 3.9072 8.0267 118.0857 58.8514 28.7567 178.5962 26 I 3.7148 8.0307 120.8952 64.4878 37.1770 178.3307 27 A 4.0664 8.3105 121.4180 55.1293 18.2493 179.5586 28 A 3.9791 8.0932 119.3450 55.3569 18.4379 179.8785 29 Q 4.1095 8.1446 116.7010 59.2063 28.8280 179.2140 30 V 3.7806 8.0855 119.3432 66.1011 31.4938 177.7601 31 D 4.4317 8.4406 118.8373 57.5004 40.5670 178.2344 32 Y 4.1132 8.0548 119.8113 60.6249 38.9446 177.7166 33 I 3.8459 8.0280 120.8409 64.6815 37.3161 178.5123 34 V 3.5165 7.8615 118.3989 66.0229 31.1842 177.9198 35 A 3.9325 8.0340 119.5096 54.5341 18.2428 178.3301 36 N 4.0817 7.1012 112.0590 52.0965 38.7071 175.7654 37 G 3.7804 7.2800 108.2551 46.0334 0.0000 174.0597 38 W 4.9267 7.4282 118.7376 56.0442 30.7374 176.1780 39 I 4.3736 8.9329 123.1459 59.5685 37.8461 174.0854 40 P 4.8410 0.0000 0.0000 62.9366 32.7457 175.1707 41 C 4.9950 8.8659 121.6980 58.3519 35.6507 172.4053 42 L 5.3538 8.7449 123.9202 53.2342 44.3526 175.2058 43 E 5.6276 9.1849 121.1313 54.9613 34.2584 174.5278 44 F 5.5814 9.1818 116.1101 56.0609 42.1000 172.9153 45 A 4.2913 8.2804 119.1557 50.9584 22.1084 177.6509 46 E 3.8207 8.7812 120.3877 59.0625 29.8223 177.4231 47 H 5.1082 7.6195 112.6095 53.7862 32.3847 172.9444 48 S 4.6267 8.4208 115.8647 56.6648 63.7161 172.9327 49 N 5.1063 8.4840 125.3043 50.3696 41.2521 174.1068 50 P 4.1783 0.0000 0.0000 65.8562 31.3507 177.5795 51 E 3.7187 7.9771 116.9157 58.0424 29.6082 176.3529 52 E 4.3927 7.6111 118.6309 54.8225 29.3865 176.2624 53 F 4.0133 8.8805 123.3215 60.2920 39.2456 175.6486 54 Y 4.7630 7.8512 116.4500 56.5565 39.1418 175.0255 55 W 5.0603 8.6107 123.2766 55.3844 32.5844 174.8169 56 T 4.2708 8.0970 117.1243 62.8884 69.3211 174.6123 57 M 4.5725 8.5249 126.4215 55.2044 33.2033 175.2308 58 W 4.8110 9.6165 135.0000 56.5170 31.3586 176.9514 59 K 3.4794 8.6299 128.8105 57.4718 30.7414 178.3716 60 L 4.9422 8.3503 124.0152 52.6845 45.2879 174.0008 61 P 4.2558 0.0000 0.0000 63.3747 32.2417 177.5826 62 M 4.3287 8.6117 123.3996 53.7968 30.4414 175.8725 63 F 4.4838 7.4320 118.3388 58.8484 40.0140 176.6630 64 G 3.9838 9.1325 112.5904 45.6318 0.0000 173.0001 65 C 4.2965 8.0031 121.0183 59.5509 31.7030 173.1804 66 R 4.5251 8.6672 124.8013 55.6397 30.8848 174.8003 67 D 4.8151 7.8177 118.7104 51.3328 42.3892 174.4183 68 P 4.3416 0.0000 0.0000 66.3605 31.0235 178.1611 69 M 4.0819 8.1898 117.9299 58.0555 31.8220 178.4073 70 Q 3.9597 8.1109 119.3685 59.1925 29.2697 178.5158 71 V 3.6181 7.7908 118.6687 66.1463 31.7681 177.8003 72 L 4.0498 8.1263 118.6763 57.9001 41.3412 179.7604 73 R 3.9929 8.3159 118.2184 59.2774 29.9681 178.9905 74 E 4.0959 8.3121 118.4739 59.1593 29.3952 179.1980 75 I 3.5249 7.7483 120.0806 64.3704 37.1453 178.4599 76 V 3.4658 7.5935 118.0970 65.9890 31.3882 177.8318 77 A 3.9352 8.1336 120.6476 55.1917 18.1963 179.1416 78 C 2.0000 7.7732 117.5906 62.0932 31.3735 176.0121 79 T 3.7068 7.6132 111.3488 64.4439 67.9881 176.3453 80 K 3.8112 7.8375 121.7989 59.2804 32.3024 178.4358 81 A 3.9758 7.6145 120.0447 53.4218 19.7564 177.5998 82 F 4.6202 7.7826 116.0247 55.0255 39.0489 173.8591 83 P 4.6007 0.0000 0.0000 63.8077 31.9481 177.7674 84 D 4.6526 7.9945 116.9233 53.9631 41.4459 175.6915 85 A 4.5888 7.3916 121.1802 50.8148 20.6217 177.1768 86 Y 4.2602 8.6620 117.9679 57.9994 39.3837 175.4519 87 V 5.2163 8.9728 123.1744 61.2042 35.2205 174.1940 88 R 5.0512 9.5000 124.1452 54.2535 32.9451 174.0966 89 L 4.7263 8.0412 123.5164 54.2260 43.6339 175.8442 90 V 4.8500 8.6994 118.5247 59.4796 36.3175 174.1239 91 A 4.8733 8.0896 121.3455 50.5794 22.7752 175.2936 92 F 5.2638 9.1218 119.9027 55.7588 42.6751 174.3049 93 D 5.4153 8.8788 122.4125 52.6666 42.4097 176.5746 94 N 4.7144 9.1609 123.4037 54.4649 38.3240 176.5197 95 Q 4.1515 8.7149 118.8567 59.0775 28.9250 177.5433 96 K 4.0549 8.2999 113.8447 56.6169 33.0914 176.4235 97 Q 3.4323 8.0367 119.1094 56.0635 27.0722 172.5674 98 V 4.5119 7.6852 117.1642 60.1011 35.0780 174.1949 99 Q 4.4452 8.6985 123.0172 56.4520 29.3189 175.4759 100 I 4.2393 8.2407 124.8941 61.1707 39.8297 174.4570 101 M 4.6226 6.7245 117.3717 54.4552 34.4440 173.7472 102 G 4.9352 8.2971 107.3267 47.1169 0.0000 172.3098 103 F 5.0544 7.1189 117.0044 55.1812 41.1881 173.0097 104 L 4.7081 8.8764 122.8840 55.7796 42.1686 176.8729 105 V 4.5870 9.0597 117.7601 61.3492 33.7740 175.4554 106 Q 4.6057 7.8390 120.8459 54.8704 32.3400 173.0842 107 R 4.4964 8.1710 123.1628 53.1159 33.9458 173.7682 108 P 4.2049 0.0000 0.0000 62.6343 31.8958 178.1723 109 K 4.1593 8.4264 121.0763 59.3359 32.2681 178.4578 110 T 4.0139 7.7612 106.5683 62.5679 69.1484 174.2956 111 A 4.2815 7.4874 125.9102 52.2511 18.6674 177.3761 112 R 4.3944 8.5112 119.4437 55.8956 30.2824 175.5888 113 D 5.0493 8.5346 115.7716 53.1113 39.9311 175.3072 114 F 5.4523 7.2966 112.9872 54.1939 41.0940 173.7921 115 Q 4.5707 8.4529 120.1617 53.0636 30.8404 174.2334 116 P 4.4365 0.0000 0.0000 62.5711 31.7605 176.8644 117 A 3.9459 8.9432 123.6024 55.6971 18.1510 179.0652 118 N 4.7255 8.1037 108.9478 53.5471 37.6828 175.4081 119 K 4.4560 7.9622 117.3297 56.4695 32.9684 177.3376 120 R 3.6279 7.4999 119.4843 57.7213 30.1961 176.5570 121 S 5.0790 7.4672 110.4687 56.5047 66.1623 174.2459 122 V 3.9969 8.5603 114.8423 61.7242 32.0364 175.6375 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 4.48 0.00 2.05 2.11 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.59 0.00 2 M 8.58 4.51 0.00 2.03 2.06 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 2.56 2.64 0.00 3 V 8.32 4.34 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 1.08 0.00 0.00 0.97 0.00 0.00 4 W 8.96 4.67 0.00 3.46 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 5 T 8.28 4.18 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 1.13 0.00 0.00 6 P 0.00 4.46 0.00 2.24 2.20 0.00 3.79 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 7 V 7.45 3.98 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 0.77 0.00 0.00 0.91 0.00 0.00 8 N 8.52 4.25 0.00 2.81 2.78 0.00 0.00 6.52 6.92 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 9 N 7.43 4.97 0.00 2.66 2.69 0.00 0.00 7.32 6.68 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 10 K 8.22 4.04 0.00 1.89 1.41 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.58 1.83 7.81 11 M 7.75 4.77 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.57 0.00 12 F 8.05 4.83 0.00 3.05 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 13 E 8.20 3.51 0.00 2.13 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 2.24 2.16 0.00 14 T 8.34 3.83 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 0.21 0.00 0.00 15 F 9.00 4.56 0.00 3.27 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 S 8.21 4.42 0.00 4.09 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 0.00 17 Y 8.26 4.33 0.00 3.02 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 18 L 7.61 4.65 0.00 1.83 1.61 0.87 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.44 0.00 2.03 2.00 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.13 0.00 20 P 0.00 4.31 0.00 2.05 2.02 0.00 3.70 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.17 0.00 21 L 8.36 3.99 0.00 1.62 1.52 0.53 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 22 T 8.23 4.21 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 1.18 0.00 0.00 23 D 8.59 4.35 0.00 2.78 2.78 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 24 E 8.10 3.92 0.00 2.02 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 0.00 2.36 2.39 0.00 25 Q 8.03 3.91 0.00 2.29 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 26 I 8.03 3.71 2.07 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 1.66 0.72 1.09 0.00 0.00 27 A 8.31 4.07 1.41 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 0.00 0.00 0.00 28 A 8.09 3.98 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 29 Q 8.14 4.11 0.00 2.53 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.75 0.00 0.00 0.00 0.00 0.00 2.34 1.86 0.00 30 V 8.09 3.78 2.31 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 1.10 0.00 0.00 1.12 0.00 0.00 31 D 8.44 4.43 0.00 3.00 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 32 Y 8.05 4.11 0.00 3.23 3.35 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.03 3.85 2.16 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.40 1.06 0.00 0.00 34 V 7.86 3.52 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 1.02 0.00 0.00 1.01 0.00 0.00 35 A 8.03 3.93 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 36 N 7.10 4.08 0.00 1.44 1.42 0.00 0.00 7.02 8.90 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 37 G 7.28 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 0.00 0.00 0.00 38 W 7.43 4.93 0.00 3.37 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 39 I 8.93 4.37 2.12 0.00 0.00 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 1.45 0.80 0.77 0.00 0.00 40 P 0.00 4.84 0.00 2.09 1.98 0.00 3.78 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.13 0.00 41 C 8.87 5.00 0.00 3.01 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 L 8.74 5.35 0.00 1.87 1.63 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 43 E 9.18 5.63 0.00 2.13 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 2.38 2.33 0.00 44 F 9.18 5.58 0.00 3.05 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 45 A 8.28 4.29 -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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.78 3.82 0.00 1.79 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 2.27 2.31 0.00 47 H 7.62 5.11 0.00 3.06 3.19 0.00 5.83 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 48 S 8.42 4.63 0.00 3.06 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 49 N 8.48 5.11 0.00 2.76 2.83 0.00 0.00 6.81 8.03 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 50 P 0.00 4.18 0.00 2.07 2.10 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 51 E 7.98 3.72 0.00 1.90 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 2.28 2.32 0.00 52 E 7.61 4.39 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 2.34 2.47 0.00 53 F 8.88 4.01 0.00 2.64 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 54 Y 7.85 4.76 0.00 3.11 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 55 W 8.61 5.06 0.00 3.11 3.15 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 56 T 8.10 4.27 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 0.95 0.00 0.00 57 M 8.52 4.57 0.00 2.09 2.05 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 2.72 2.77 0.00 58 W 9.62 4.81 0.00 3.67 3.31 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 59 K 8.63 3.48 0.00 1.69 0.74 0.00 1.59 0.00 0.00 1.54 0.00 0.00 2.67 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.82 0.21 7.81 60 L 8.35 4.94 0.00 1.61 1.59 1.01 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 61 P 0.00 4.26 0.00 0.65 1.87 0.00 3.68 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 62 M 8.61 4.33 0.00 2.06 2.09 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 2.62 2.55 0.00 63 F 7.43 4.48 0.00 3.11 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 64 G 9.13 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 65 C 8.00 4.30 0.00 3.03 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 66 R 8.67 4.53 0.00 1.81 1.87 0.00 3.20 0.00 0.00 3.15 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.73 0.00 67 D 7.82 4.82 0.00 2.65 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 P 0.00 4.34 0.00 2.33 2.34 0.00 3.77 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.08 0.00 69 M 8.19 4.08 0.00 2.10 2.29 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 2.63 2.71 0.00 70 Q 8.11 3.96 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.80 0.00 0.00 0.00 0.00 0.00 2.40 2.41 0.00 71 V 7.79 3.62 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 1.05 0.00 0.00 0.97 0.00 0.00 72 L 8.13 4.05 0.00 1.89 1.72 0.95 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 73 R 8.32 3.99 0.00 2.04 2.02 0.00 3.15 0.00 0.00 3.19 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 74 E 8.31 4.10 0.00 2.25 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 2.60 2.66 0.00 75 I 7.75 3.52 2.02 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 1.36 0.72 0.87 0.00 0.00 76 V 7.59 3.47 2.21 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 1.05 0.00 0.00 0.96 0.00 0.00 77 A 8.13 3.94 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 78 C 7.77 2.00 0.00 1.23 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 0.00 0.00 0.00 0.00 79 T 7.61 3.71 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 1.15 0.00 0.00 80 K 7.84 3.81 0.00 1.78 1.98 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.38 1.39 7.81 81 A 7.61 3.98 1.22 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 0.00 0.00 82 F 7.78 4.62 0.00 2.82 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 83 P 0.00 4.60 0.00 2.12 2.10 0.00 3.24 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.86 0.00 84 D 7.99 4.65 0.00 2.66 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 85 A 7.39 4.59 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 86 Y 8.66 4.26 0.00 2.38 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 V 8.97 5.22 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 0.88 0.00 0.00 0.91 0.00 0.00 88 R 9.50 5.05 0.00 1.87 2.03 0.00 2.40 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.44 0.00 89 L 8.04 4.73 0.00 1.55 0.76 0.86 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 90 V 8.70 4.85 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.42 0.00 0.00 91 A 8.09 4.87 1.21 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 0.00 0.00 92 F 9.12 5.26 0.00 2.99 2.89 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 93 D 8.88 5.42 0.00 2.39 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 94 N 9.16 4.71 0.00 2.94 3.06 0.00 0.00 6.34 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 95 Q 8.71 4.15 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.53 0.00 96 K 8.30 4.05 0.00 1.76 1.86 0.00 1.93 0.00 0.00 1.68 0.00 0.00 3.06 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.44 7.81 97 Q 8.04 3.43 0.00 2.12 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.73 0.00 0.00 0.00 0.00 0.00 2.23 2.29 0.00 98 V 7.69 4.51 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 0.52 0.00 0.00 0.92 0.00 0.00 99 Q 8.70 4.45 0.00 2.22 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.87 0.00 0.00 0.00 0.00 0.00 2.22 2.13 0.00 100 I 8.24 4.24 1.26 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 -0.26 0.40 -0.48 0.00 0.00 101 M 6.72 4.62 0.00 2.11 2.26 0.00 0.00 0.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.62 0.00 102 G 8.30 4.94 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 0.00 103 F 7.12 5.05 0.00 3.25 3.19 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 0.00 104 L 8.88 4.71 0.00 1.81 1.71 1.27 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 105 V 9.06 4.59 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 0.78 0.00 0.00 0.94 0.00 0.00 106 Q 7.84 4.61 0.00 2.04 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 107 R 8.17 4.50 0.00 1.46 1.33 0.00 2.61 0.00 0.00 2.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.36 0.00 108 P 0.00 4.20 0.00 2.01 1.90 0.00 2.60 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 1.57 1.65 0.00 109 K 8.43 4.16 0.00 1.72 1.85 0.00 1.75 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.39 1.33 7.81 110 T 7.76 4.01 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 1.20 0.00 0.00 111 A 7.49 4.28 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 0.00 112 R 8.51 4.39 0.00 1.76 1.85 0.00 3.36 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 113 D 8.53 5.05 0.00 2.99 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 0.00 114 F 7.30 5.45 0.00 3.33 3.31 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 0.00 115 Q 8.45 4.57 0.00 1.94 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 7.02 0.00 0.00 0.00 0.00 0.00 2.37 2.21 0.00 116 P 0.00 4.44 0.00 2.21 2.20 0.00 3.64 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 2.03 1.92 0.00 117 A 8.94 3.95 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 0.00 118 N 8.10 4.73 0.00 2.84 2.94 0.00 0.00 5.85 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 0.00 119 K 7.96 4.46 0.00 1.79 1.74 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.45 7.81 120 R 7.50 3.63 0.00 1.59 0.66 0.00 3.03 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.49 0.00 121 S 7.47 5.08 0.00 4.04 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 0.00 122 V 8.56 4.00 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 0.63 0.00 0.00 0.98 0.00 0.00