NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 L 4.3334 8.1693 122.4794 54.8182 42.1958 176.8169 3 S 4.2451 8.9026 122.2756 56.8813 65.2693 173.3381 4 A 3.9005 8.8413 126.0497 55.3137 18.4810 181.1557 5 A 3.8983 7.8694 118.6680 55.3530 18.5423 179.6231 6 Q 3.8902 8.1287 116.5569 59.0509 28.7075 179.2663 7 K 3.7675 8.1297 119.4923 59.5480 32.1040 179.0222 8 D 4.3179 8.2498 119.2526 57.3983 40.7096 178.4133 9 N 4.3228 8.2337 117.4400 56.6624 38.8741 176.9946 10 V 3.1649 7.6946 119.5668 65.7937 31.4870 178.1022 11 K 4.0306 8.1850 118.4303 59.7197 31.7748 179.6163 12 S 4.2473 8.3249 115.6450 61.5725 62.7693 176.9161 13 S 4.5433 8.7461 118.8881 60.6276 62.9033 176.2406 14 W 4.4860 9.0974 132.2332 60.3602 30.5395 177.6545 15 A 3.9235 8.2468 120.7636 55.0922 17.5474 179.8725 16 K 3.9242 7.5712 115.7715 59.5779 32.6276 179.2161 17 A 3.1770 7.8498 121.1309 54.7442 18.1821 179.4875 18 S 3.3505 7.4320 111.6964 61.3064 62.0736 176.3440 19 A 4.0052 7.6109 121.8004 54.2816 18.2821 178.4165 20 A 4.5597 7.4887 116.7410 51.9920 19.3278 178.5201 21 W 4.2218 8.1490 129.6453 60.1560 30.5035 178.2461 22 G 3.6677 8.3361 104.8208 47.0912 0.0000 174.4520 23 T 4.3685 7.7163 110.3275 63.1708 70.3373 176.3548 24 A 4.2823 8.3608 123.9919 54.4069 18.3251 179.9033 25 G 2.0000 7.1284 104.5450 46.8707 0.0000 174.1103 26 P 4.1609 0.0000 0.0000 65.2153 31.2836 178.5765 27 E 3.9219 7.5670 116.0850 59.0715 29.2714 179.0479 28 F 3.2002 7.8543 121.0406 61.0211 39.2934 177.1404 29 F 2.6943 7.6787 117.2395 60.4092 38.5294 177.6516 30 M 4.0072 7.7993 117.9379 58.0461 31.6627 178.6961 31 A 3.9130 7.6627 121.1062 54.7946 18.5424 179.4157 32 L 3.6802 7.2855 119.0078 58.3091 41.8729 179.2851 33 F 4.6403 7.8629 116.6476 60.8881 38.9032 177.1792 34 D 4.4454 8.4299 117.7493 57.1352 40.6285 178.2645 35 A 4.3711 7.8919 120.5196 53.5751 19.6570 177.1667 36 H 4.7794 8.3182 114.1788 52.9046 30.2655 173.2325 37 D 4.5282 8.5844 124.0766 57.1023 41.0090 177.1435 38 D 4.5072 8.1572 118.5024 55.9999 39.7962 178.3655 39 V 3.8918 7.9166 120.2131 66.0454 31.5497 177.7261 40 F 3.7628 8.5224 119.7383 61.0786 39.2656 176.6627 41 A 3.8189 8.1024 120.5414 54.9582 17.9616 179.3597 42 K 4.0600 7.7671 114.6480 58.0753 32.3384 178.3106 43 F 4.5395 7.8390 118.4818 57.2904 39.1008 177.4451 44 S 4.2122 7.7844 116.0837 60.5172 62.8616 176.7043 45 G 3.4649 7.8251 109.7770 47.4362 0.0000 175.1926 46 L 3.7518 7.6872 121.7785 57.9644 42.2050 177.6324 47 F 4.7666 8.2072 115.2366 56.7841 38.9902 175.9650 48 S 3.4610 8.8639 115.9792 59.6836 60.6073 173.5244 49 G 3.9328 8.2743 106.6523 45.2322 0.0000 174.1570 50 A 4.1535 7.6687 122.1061 51.7082 19.1373 177.4318 51 A 4.2754 8.3163 122.9736 51.5306 19.5939 178.7234 52 K 2.7730 8.5809 122.2778 59.3610 32.0098 178.7274 53 G 3.7848 7.8255 104.0373 46.7196 0.0000 173.5084 54 T 4.3987 7.8399 109.0332 61.4136 70.1669 175.4930 55 V 3.7856 7.3270 115.1667 62.2612 32.3081 178.0214 56 K 3.7802 8.1437 120.6583 59.3063 31.8754 177.3223 57 N 4.9025 7.8697 113.4530 53.4370 39.2924 175.7057 58 T 4.4084 7.5352 108.8032 60.5525 71.5336 173.1823 59 P 4.3170 0.0000 0.0000 65.7074 31.2780 178.9157 60 E 3.9692 8.2282 117.2237 59.5098 29.3380 178.8424 61 M 4.0419 8.2637 117.6133 58.5911 32.4342 178.0999 62 A 3.9683 8.0080 120.4944 55.1104 18.4879 179.5058 63 A 3.9851 8.1632 119.2991 55.3417 18.3905 179.6922 64 Q 3.8979 8.4178 118.2655 59.1823 29.0952 178.1579 65 A 4.4665 8.2827 122.2718 55.4073 18.3854 179.4218 66 Q 4.1623 8.2395 117.6032 59.3851 29.1853 178.5929 67 S 4.1540 8.4652 116.3209 61.6157 62.9711 176.3026 68 F 4.2408 8.8070 123.4749 61.3621 39.1185 176.9499 69 K 4.0385 8.6978 119.2964 59.5907 31.9949 178.8742 70 G 3.5820 8.1395 105.9670 47.6508 0.0000 175.4291 71 L 3.4423 7.2093 121.1047 57.5338 41.9843 179.0862 72 V 3.2016 6.8589 118.0997 65.8483 31.3682 178.1466 73 S 4.1581 8.1567 115.2893 61.5657 62.4428 176.2083 74 N 4.2464 7.5110 118.2738 56.2769 38.8700 176.6526 75 W 4.5212 7.8515 120.3832 60.0446 29.0356 178.7767 76 V 3.5250 7.7213 116.0699 65.2955 31.0209 176.8275 77 D 4.7235 7.7822 116.1983 54.9604 41.2729 175.9823 78 N 5.1020 8.2640 118.1741 52.9960 39.7728 175.8928 79 L 4.1494 8.1861 117.4687 56.4267 41.9205 177.4776 80 D 4.7979 7.9140 117.4529 53.8930 41.3005 176.3932 81 N 4.8241 7.9832 119.5367 50.2441 39.0099 174.1311 82 A 4.0563 8.4160 125.0208 54.8482 18.6841 179.3829 83 G 3.5608 8.1074 103.3077 47.7628 0.0000 175.7206 84 A 4.0401 8.4449 123.1260 54.9229 18.3467 179.7191 85 L 4.0812 8.1607 117.6590 57.9894 41.6423 179.5809 86 E 4.0803 8.7049 119.0911 59.4052 29.1771 179.6794 87 G 3.6521 8.1496 105.7159 48.0047 0.0000 175.8209 88 Q 4.1070 8.2795 120.6228 58.8671 28.7045 178.5365 89 C 4.6376 8.6864 118.0808 62.7770 28.1808 176.0520 90 K 4.0184 8.4139 121.3246 59.8679 31.8348 179.0387 91 T 3.9277 7.7773 115.8304 66.5220 68.4027 176.4137 92 F 4.3403 8.4418 122.3628 61.3050 39.4544 176.9024 93 A 3.6997 8.6041 120.4893 55.1347 18.2556 179.3865 94 A 3.9267 8.0919 119.1630 55.4703 18.2193 179.6332 95 N 4.2554 8.0222 113.7990 56.8278 38.9300 177.0715 96 H 4.2410 8.2606 117.5021 58.2013 28.7691 177.5989 97 K 3.8444 8.6116 121.7581 59.5320 31.8027 178.6015 98 A 4.0258 7.7551 119.2783 54.3516 18.3521 178.8050 99 R 4.1799 7.6859 114.9334 56.2157 30.4518 177.4433 100 G 3.8998 7.9659 107.3752 45.4019 0.0000 173.7640 101 I 4.1227 7.3774 120.2060 60.7782 38.1618 176.4617 102 S 4.6403 8.8463 119.6933 57.1588 65.8118 175.3740 103 A 4.1654 8.5183 124.2744 55.3932 18.1212 180.3348 104 G 3.5764 8.0820 103.7970 47.9382 0.0000 175.9025 105 Q 4.1080 8.2422 120.4274 58.7273 28.6916 178.7200 106 L 4.1005 7.9629 119.7895 57.7981 41.7294 179.0398 107 E 4.2519 8.7477 119.4203 59.3099 29.4670 178.7668 108 A 4.0308 8.2060 120.6515 55.0131 18.3335 179.3977 109 A 4.0288 8.1133 119.3157 55.5531 18.4378 179.8972 110 F 4.3724 8.3079 116.2718 60.6083 38.9902 177.9088 111 K 4.1033 8.4087 119.4812 59.4424 31.9897 179.1381 112 V 3.7293 8.2419 118.8131 65.8918 31.4230 177.7233 113 L 4.0179 8.6266 120.1876 58.1827 41.7205 178.7104 114 A 4.1226 8.3025 119.8795 55.3237 18.7161 179.5908 115 G 3.7512 8.2058 103.7132 47.7659 0.0000 175.7846 116 F 4.1995 8.6720 123.1055 61.3657 39.4145 176.7276 117 M 4.4762 8.3895 117.3288 56.9871 31.4498 178.4209 118 K 4.4377 7.5959 119.8537 58.7759 32.2698 178.5513 119 S 4.1663 7.6208 113.0361 59.6099 62.9904 174.2350 120 Y 4.4668 7.8831 120.1339 57.6260 38.2390 177.3849 121 G 4.1262 8.5428 106.7970 45.4508 0.0000 174.8607 122 G 3.8969 7.8843 109.4777 45.3503 0.0000 172.7239 123 D 4.8071 9.8211 123.7295 53.1817 41.7041 176.6947 124 E 4.2649 9.1240 129.0414 59.6060 29.5941 178.8577 125 G 3.6070 8.6316 105.5521 47.4532 0.0000 175.7210 126 A 3.9697 8.0477 122.6021 54.9436 18.4876 179.6344 127 W 3.9302 8.3862 117.4950 60.0594 28.9900 178.9609 128 T 3.9106 8.4599 115.9151 66.4955 67.9002 176.5896 129 A 3.8888 8.0697 122.7103 55.0812 18.3343 179.8755 130 V 3.2719 7.7959 116.6099 65.9854 31.5782 178.0887 131 A 3.0654 8.1028 120.8792 54.6787 18.0793 179.8749 132 G 3.3890 8.1208 104.1590 47.7131 0.0000 175.7857 133 A 3.8476 7.7434 123.2820 54.8753 18.3754 179.7924 134 L 3.6528 7.5963 117.5877 58.0661 41.5055 179.7080 135 M 4.1562 8.2892 119.0548 58.1912 31.5862 179.0387 136 G 3.6364 7.7813 105.2222 47.6961 0.0000 175.2870 137 M 4.2422 7.2695 118.8818 57.9269 32.3862 178.6068 138 I 3.9536 7.8241 120.0198 64.3586 37.4019 178.0377 139 R 3.8954 8.2726 120.0096 59.4210 29.6045 176.6537 140 P 4.3074 0.0000 0.0000 64.7899 31.3202 176.6523 141 D 4.7854 7.8567 115.5713 54.1793 41.1776 176.3909 142 M 4.2061 7.9814 125.3181 55.4374 32.1457 175.7541 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 L 8.17 4.33 0.00 1.51 1.62 0.78 0.50 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 3 S 8.90 4.25 0.00 4.06 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 4 A 8.84 3.90 1.31 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 0.00 0.00 5 A 7.87 3.90 1.31 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 0.00 0.00 6 Q 8.13 3.89 0.00 2.19 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.74 0.00 0.00 0.00 0.00 0.00 2.35 2.37 0.00 7 K 8.13 3.77 0.00 1.89 1.77 0.00 1.61 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.34 1.57 7.81 8 D 8.25 4.32 0.00 2.80 2.72 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 9 N 8.23 4.32 0.00 2.78 2.94 0.00 0.00 6.89 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 10 V 7.69 3.16 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 -0.08 0.00 0.00 -0.04 0.00 0.00 11 K 8.18 4.03 0.00 1.97 1.88 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.62 1.66 7.81 12 S 8.32 4.25 0.00 4.01 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 13 S 8.75 4.54 0.00 4.49 4.39 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 0.00 0.00 0.00 0.00 14 W 9.10 4.49 0.00 3.85 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 15 A 8.25 3.92 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 16 K 7.57 3.92 0.00 2.05 2.09 0.00 2.04 0.00 0.00 1.81 0.00 0.00 3.11 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.54 1.70 7.81 17 A 7.85 3.18 0.66 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 0.00 0.00 18 S 7.43 3.35 0.00 2.72 3.54 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 19 A 7.61 4.01 1.35 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 0.00 0.00 20 A 7.49 4.56 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 21 W 8.15 4.22 0.00 3.47 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 22 G 8.34 3.67 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 0.00 0.00 0.00 23 T 7.72 4.37 4.23 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 1.21 0.00 0.00 24 A 8.36 4.28 1.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.16 0.00 2.06 2.21 0.00 3.43 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 27 E 7.57 3.92 0.00 2.35 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 0.00 2.37 2.54 0.00 28 F 7.85 3.20 0.00 1.51 2.24 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 0.00 29 F 7.68 2.69 0.00 2.65 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 0.00 0.00 0.00 30 M 7.80 4.01 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.78 0.00 31 A 7.66 3.91 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 32 L 7.29 3.68 0.00 0.77 0.97 0.92 0.99 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 33 F 7.86 4.64 0.00 2.94 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 34 D 8.43 4.45 0.00 2.76 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 35 A 7.89 4.37 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 H 8.32 4.78 0.00 3.38 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 D 8.58 4.53 0.00 2.83 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 38 D 8.16 4.51 0.00 2.93 2.85 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 39 V 7.92 3.89 2.58 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 1.47 0.00 0.00 1.08 0.00 0.00 40 F 8.52 3.76 0.00 2.84 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 41 A 8.10 3.82 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 42 K 7.77 4.06 0.00 1.73 1.60 0.00 1.60 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.43 1.57 7.81 43 F 7.84 4.54 0.00 2.90 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 44 S 7.78 4.21 0.00 3.99 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 45 G 7.83 3.46 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 46 L 7.69 3.75 0.00 1.43 1.55 0.76 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.21 4.77 0.00 3.09 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 48 S 8.86 3.46 0.00 4.02 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 49 G 8.27 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 50 A 7.67 4.15 1.35 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 0.00 0.00 51 A 8.32 4.28 1.24 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 0.00 0.00 0.00 52 K 8.58 2.77 0.00 0.79 1.38 0.00 1.49 0.00 0.00 1.72 0.00 0.00 2.41 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.09 0.44 7.81 53 G 7.83 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 54 T 7.84 4.40 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 55 V 7.33 3.79 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 0.00 0.00 0.50 0.00 0.00 0.61 0.00 0.00 56 K 8.14 3.78 0.00 1.63 1.79 0.00 1.70 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.40 7.81 57 N 7.87 4.90 0.00 2.72 2.79 0.00 0.00 6.89 7.54 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 58 T 7.54 4.41 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 1.25 0.00 0.00 59 P 0.00 4.32 0.00 2.20 2.16 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.19 0.00 60 E 8.23 3.97 0.00 2.21 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 2.59 2.39 0.00 61 M 8.26 4.04 0.00 2.32 2.32 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 2.53 2.73 0.00 62 A 8.01 3.97 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 63 A 8.16 3.99 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 64 Q 8.42 3.90 0.00 2.09 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.74 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 65 A 8.28 4.47 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 66 Q 8.24 4.16 0.00 2.29 2.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.43 2.49 0.00 67 S 8.47 4.15 0.00 4.25 4.03 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 0.00 0.00 0.00 68 F 8.81 4.24 0.00 3.67 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 69 K 8.70 4.04 0.00 1.49 2.16 0.00 1.42 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.50 7.81 70 G 8.14 3.58 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 0.00 71 L 7.21 3.44 0.00 1.33 0.90 -0.06 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 72 V 6.86 3.20 1.07 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 -0.53 0.00 0.00 0.14 0.00 0.00 73 S 8.16 4.16 0.00 4.09 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 74 N 7.51 4.25 0.00 2.54 2.61 0.00 0.00 7.28 8.45 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 75 W 7.85 4.52 0.00 3.40 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 76 V 7.72 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 0.88 0.00 0.00 0.68 0.00 0.00 77 D 7.78 4.72 0.00 2.86 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 78 N 8.26 5.10 0.00 2.81 2.75 0.00 0.00 6.93 7.60 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 79 L 8.19 4.15 0.00 1.56 1.61 0.73 0.97 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 80 D 7.91 4.80 0.00 2.62 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 81 N 7.98 4.82 0.00 2.67 2.76 0.00 0.00 7.07 7.10 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 82 A 8.42 4.06 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 83 G 8.11 3.56 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 0.00 0.00 0.00 84 A 8.44 4.04 1.39 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 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.16 4.08 0.00 1.83 1.66 0.81 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 86 E 8.70 4.08 0.00 2.18 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 2.33 2.48 0.00 87 G 8.15 3.65 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 0.00 88 Q 8.28 4.11 0.00 2.48 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.56 2.71 0.00 89 C 8.69 4.64 0.00 3.29 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 90 K 8.41 4.02 0.00 1.97 2.03 0.00 1.66 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.48 1.52 7.81 91 T 7.78 3.93 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 1.26 0.00 0.00 92 F 8.44 4.34 0.00 3.18 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 93 A 8.60 3.70 1.40 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 94 A 8.09 3.93 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 95 N 8.02 4.26 0.00 2.90 2.84 0.00 0.00 7.13 7.44 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 96 H 8.26 4.24 0.00 2.94 3.18 0.00 5.82 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.61 3.84 0.00 1.81 1.93 0.00 1.84 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.44 7.81 98 A 7.76 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 0.00 0.00 0.00 0.00 0.00 0.00 99 R 7.69 4.18 0.00 1.86 1.86 0.00 2.96 0.00 0.00 3.01 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 100 G 7.97 3.90 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 0.00 0.00 0.00 101 I 7.38 4.12 2.01 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 1.43 0.51 0.96 0.00 0.00 102 S 8.85 4.64 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 0.00 103 A 8.52 4.17 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 0.00 104 G 8.08 3.58 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 0.00 105 Q 8.24 4.11 0.00 2.32 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.58 2.44 0.00 106 L 7.96 4.10 0.00 2.05 1.95 0.82 0.54 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 0.00 107 E 8.75 4.25 0.00 2.26 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 2.41 2.44 0.00 108 A 8.21 4.03 1.17 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 0.00 0.00 109 A 8.11 4.03 1.49 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 0.00 0.00 110 F 8.31 4.37 0.00 3.36 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 0.00 111 K 8.41 4.10 0.00 1.97 2.08 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.55 7.81 112 V 8.24 3.73 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 0.97 0.00 0.00 1.07 0.00 0.00 113 L 8.63 4.02 0.00 1.95 1.97 0.43 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 114 A 8.30 4.12 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 0.00 115 G 8.21 3.75 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 0.00 0.00 0.00 116 F 8.67 4.20 0.00 3.45 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 0.00 117 M 8.39 4.48 0.00 1.68 1.60 0.00 0.00 0.00 0.00 0.00 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.35 0.00 118 K 7.60 4.44 0.00 1.84 1.88 0.00 1.90 0.00 0.00 1.59 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.47 7.81 119 S 7.62 4.17 0.00 3.10 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 0.00 120 Y 7.88 4.47 0.00 3.11 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 0.00 121 G 8.54 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 0.00 122 G 7.88 3.90 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 0.00 0.00 0.00 123 D 9.82 4.81 0.00 2.83 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 0.00 124 E 9.12 4.26 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 2.49 2.54 0.00 125 G 8.63 3.61 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 0.00 0.00 0.00 126 A 8.05 3.97 1.36 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 0.00 0.00 127 W 8.39 3.93 0.00 3.53 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 0.00 128 T 8.46 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 1.24 0.00 0.00 129 A 8.07 3.89 1.31 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 0.00 0.00 130 V 7.80 3.27 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 0.72 0.00 0.00 0.62 0.00 0.00 131 A 8.10 3.07 1.01 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 0.00 0.00 132 G 8.12 3.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 A 7.74 3.85 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 L 7.60 3.65 0.00 0.97 1.00 -0.22 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 135 M 8.29 4.16 0.00 1.94 2.05 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 2.64 2.56 0.00 136 G 7.78 3.64 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 0.00 0.00 0.00 137 M 7.27 4.24 0.00 2.04 2.18 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.52 0.00 138 I 7.82 3.95 1.97 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.76 1.02 0.00 0.00 139 R 8.27 3.90 0.00 2.11 1.95 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.72 0.00 140 P 0.00 4.31 0.00 2.06 2.11 0.00 3.73 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 141 D 7.86 4.79 0.00 2.84 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 0.00 142 M 7.98 4.21 0.00 1.98 2.07 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 2.55 2.80 0.00