NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.0912 8.0549 120.3906 62.4639 32.5779 175.1537 2 L 3.9896 8.2656 127.4146 52.4455 42.2963 175.9740 3 S 4.5307 9.7347 119.1840 57.7192 66.2265 175.0746 4 E 4.2724 8.8416 121.5813 59.6671 29.2601 179.8728 5 G 3.6489 8.1175 105.1554 47.8104 0.0000 175.3431 6 E 3.9171 8.1693 121.0565 59.0616 29.4073 179.5186 7 W 4.4714 8.2968 119.0734 59.9174 29.0872 178.3810 8 Q 4.0864 8.5896 119.7085 59.0715 28.4206 178.2129 9 L 4.0764 7.9780 119.9563 57.7239 41.6616 179.6079 10 V 3.7509 7.9648 118.0558 66.2747 31.6369 178.0195 11 L 4.3627 8.5131 118.2076 57.1610 41.3139 178.9319 12 H 4.2463 8.3190 118.5061 59.2234 30.2892 177.3205 13 V 3.7378 7.8793 120.7825 64.4899 31.3501 178.1478 14 W 3.8078 8.6254 128.8748 60.0497 30.3000 177.8129 15 A 4.0251 8.0307 120.0429 54.8447 18.0152 179.4459 16 K 3.9104 7.6571 117.1009 59.3467 31.9585 179.7089 17 V 2.9489 6.9147 118.1397 65.5442 31.1505 177.2326 18 E 3.9516 7.3037 115.3916 57.5536 29.3319 178.1956 19 A 4.1812 7.4771 120.7920 53.5320 19.6883 177.6084 20 D 4.6280 7.9795 115.8231 52.1546 43.1527 175.6137 21 V 3.4610 7.8219 124.0954 66.1233 32.0314 176.8435 22 A 4.0564 7.9860 120.0038 54.9607 18.2663 179.7079 23 G 3.6609 8.4059 105.7441 45.5052 0.0000 175.7315 24 H 4.1804 8.2512 118.8689 58.5005 28.7076 178.1879 25 G 3.5412 8.3499 107.7963 47.7018 0.0000 175.7953 26 Q 3.8759 8.1967 120.4905 58.8843 28.7703 178.6247 27 D 4.2954 7.9562 119.7625 57.3856 40.7706 179.0762 28 I 3.6493 7.9168 120.4442 64.3918 37.0572 178.5674 29 L 3.4059 7.7300 119.7752 57.4533 41.2229 179.6708 30 I 3.5760 7.6196 119.8890 64.2696 36.9621 178.3543 31 R 3.7810 7.9250 119.5473 59.2188 29.8724 178.1780 32 L 3.9489 7.8666 120.1098 58.4326 41.6098 179.1240 33 F 4.5914 8.1545 117.8988 60.4775 38.5422 177.9962 34 K 4.0572 8.1795 117.7002 59.6087 32.0098 179.4171 35 S 4.2898 8.1805 114.5761 60.3903 64.0102 174.5575 36 H 4.6886 8.1018 118.3813 52.1725 29.5801 171.9067 37 P 4.4785 0.0000 0.0000 64.3294 31.5757 177.4523 38 E 4.0968 8.2288 116.4503 59.3534 29.3748 179.1699 39 T 4.0808 8.2367 111.6155 64.6657 68.8738 176.4497 40 L 3.6065 7.8906 123.2572 57.6671 41.7891 178.5085 41 E 3.9879 7.7041 117.5255 58.7695 29.6181 178.3197 42 K 4.4658 8.0251 116.7876 56.8863 32.6715 177.3493 43 F 4.6445 8.2648 119.5443 55.4836 39.6377 175.5344 44 D 4.4000 8.6375 124.5937 57.1930 40.9631 178.7069 45 R 3.8272 7.8795 117.9686 58.2458 30.2566 176.6477 46 F 5.0798 8.0711 114.1697 56.7147 40.8930 176.6263 47 K 4.1004 8.1666 119.0264 58.6830 32.4523 177.5467 48 H 4.3616 8.1159 114.6980 57.4095 28.8925 175.3512 49 L 4.1592 7.6894 121.8463 54.4475 41.6403 176.7171 50 K 4.5305 9.5114 122.6432 56.0059 34.3089 176.5870 51 T 4.7448 7.4964 108.6305 58.8670 73.1653 174.1545 52 E 3.9141 8.6688 121.7823 59.4114 29.6905 178.8816 53 A 3.9937 7.9558 120.3896 55.2072 18.2577 179.3119 54 E 3.9449 8.2001 116.3217 59.6803 29.9303 179.1206 55 M 4.1813 8.1339 118.7277 58.5050 31.8586 179.0649 56 K 3.9908 8.2331 117.3008 59.0176 32.2714 178.5925 57 A 4.4037 7.7058 119.0912 52.1235 19.0436 177.1587 58 S 4.3276 7.5188 113.3414 57.2937 62.6072 174.3862 59 E 3.9965 8.8731 129.5064 59.3289 29.4481 177.9553 60 D 4.4202 8.1894 117.8214 57.1974 41.2776 177.8287 61 L 3.4258 8.1319 121.0153 57.8043 42.1624 178.8670 62 K 3.8706 7.9610 119.3137 59.3215 32.1087 178.9204 63 K 4.0026 8.3637 119.0187 59.8790 31.9732 178.8576 64 H 4.4218 8.6967 118.6516 59.0820 29.7316 177.3836 65 G 3.6028 8.3747 108.0215 47.7565 0.0000 175.8311 66 V 3.5917 7.7155 119.9754 66.0170 31.5921 178.0276 67 T 3.8859 7.8874 115.5494 66.7831 68.2906 176.6118 68 V 3.5782 7.8881 119.8288 66.2093 31.5913 178.1801 69 L 4.2199 8.1944 118.6596 57.8610 41.3967 179.6695 70 T 3.9691 8.4125 116.2312 66.5316 68.4183 176.5501 71 A 3.9981 8.0252 122.7152 55.0479 18.3501 179.4712 72 L 3.7531 8.2018 119.1651 58.1154 42.1493 179.4087 73 G 3.2238 8.5117 105.9069 47.5867 0.0000 175.5364 74 A 4.0132 7.7855 122.2508 54.8362 18.6369 179.5863 75 I 3.7929 7.6053 118.2618 64.5944 37.1836 178.6105 76 L 4.0035 7.8834 120.1313 57.7057 41.2022 179.3960 77 K 4.0298 7.7398 116.2104 57.9284 32.2998 178.6200 78 K 3.9762 7.8675 118.7118 55.9535 32.5423 176.5872 79 K 2.0000 8.3741 118.2326 56.3826 29.8056 175.7349 80 G 3.9423 8.0929 106.3281 45.6838 0.0000 174.0948 81 H 4.6019 7.4398 119.1638 55.3271 27.5790 174.8107 82 H 5.2770 7.2327 110.2865 54.2747 29.9216 176.3737 83 E 3.9459 8.6118 122.6389 60.3733 29.0881 178.3669 84 A 4.0582 7.9236 118.8500 55.1399 17.2152 178.9899 85 E 4.1082 8.1119 116.8065 59.4243 29.7130 179.1596 86 L 4.3394 8.1864 118.9093 56.9924 41.7044 179.2397 87 K 3.8581 7.9351 118.8698 59.2491 31.9997 177.4298 88 P 4.2891 0.0000 0.0000 65.5594 31.2740 178.1949 89 L 3.9708 7.5012 119.3286 57.9746 42.0754 178.7410 90 A 4.1287 8.5395 121.0460 55.2940 18.3244 179.5296 91 Q 3.7963 8.1640 116.7256 59.1467 28.7711 179.4156 92 S 3.9791 8.3010 115.4437 61.7959 63.0172 176.2547 93 H 4.1916 8.6214 119.8967 58.1337 28.2127 177.7775 94 A 2.9937 7.8785 122.5761 54.6034 18.1739 179.0113 95 T 3.7602 7.1882 105.6312 61.8117 69.7806 175.3299 96 K 4.2079 7.4562 120.3834 58.2181 33.4383 176.7815 97 H 4.3501 8.0723 113.9645 55.9694 29.4511 175.2831 98 K 3.7427 7.6787 117.0817 57.3918 28.6948 176.4742 99 I 4.1951 7.8400 119.2141 58.7856 38.2580 175.0337 100 P 4.4153 0.0000 0.0000 62.3530 32.0556 177.5792 101 I 3.3913 8.4186 121.9740 64.6360 36.8912 178.4411 102 K 3.6590 7.9380 119.6565 59.7863 31.9164 178.1333 103 Y 4.0332 8.0478 116.5743 60.4393 37.7382 178.0720 104 L 4.1840 7.9011 120.4878 57.3788 41.6672 178.9154 105 E 3.9473 7.8740 119.0841 59.2515 29.6402 178.6218 106 F 4.4763 7.7557 117.8278 60.8562 38.8953 177.5826 107 I 3.8802 8.1655 118.0859 63.9877 37.7663 178.0932 108 S 4.1765 8.2845 116.4065 61.5561 62.6002 176.4050 109 E 4.0667 8.5389 121.1285 59.3955 29.2141 179.2952 110 A 4.0292 8.1713 120.8619 55.0578 18.3638 179.7120 111 I 3.6855 8.1254 118.6285 64.7134 37.2668 178.7098 112 I 3.8581 7.9360 120.5457 64.6205 36.9207 177.9900 113 H 4.1489 8.5051 119.1314 59.3981 29.7010 177.5537 114 V 3.5912 8.0007 120.0407 65.9433 31.3315 177.9881 115 L 3.7797 8.0363 118.9790 57.8037 41.0493 178.9914 116 H 4.4497 8.0492 117.4829 59.3777 29.9221 177.2429 117 S 4.2021 8.0038 116.0611 61.5228 62.7819 176.3589 118 R 4.1197 7.8277 118.7542 57.2360 31.3464 176.3882 119 H 5.0118 8.1100 115.8552 53.8890 29.8425 172.8817 120 P 4.2820 0.0000 0.0000 65.8297 31.7249 179.3929 121 G 3.7004 8.1608 106.4822 47.4971 0.0000 173.5816 122 D 5.0524 8.0900 117.8576 54.0145 41.5236 176.2430 123 F 5.0053 8.0507 121.2369 56.3599 39.6495 174.6994 124 G 3.8542 8.0063 107.2258 44.0916 0.0000 173.0990 125 A 3.9094 8.3892 121.0443 54.8846 18.2271 179.4715 126 D 4.1930 7.9769 117.0972 56.7591 39.4476 178.6833 127 A 3.9792 7.7670 121.9459 54.4996 18.3460 179.4152 128 Q 3.2332 7.8376 117.2410 58.7829 28.6786 179.2973 129 G 3.4842 8.2667 106.8569 47.6526 0.0000 175.6577 130 A 3.8604 8.0007 123.2823 55.0712 18.3196 179.4507 131 M 4.0026 8.4607 117.2174 58.6644 32.2456 177.8412 132 N 4.3002 8.4992 117.6275 56.6979 39.0390 176.9696 133 K 3.8745 8.2031 119.6444 59.3513 32.1157 179.1849 134 A 3.8149 8.1004 121.2856 55.1717 18.2645 179.7448 135 L 4.1045 8.3041 117.7223 57.6802 41.6704 179.5464 136 E 3.9810 8.5387 119.1787 59.2736 29.4059 179.0102 137 L 3.9983 8.1614 120.5050 57.9922 42.0859 178.6100 138 F 4.1187 8.3363 120.5712 61.6542 39.3163 177.4317 139 R 3.5598 8.2590 117.5415 58.7937 29.8209 178.9059 140 K 3.8267 8.4646 119.8855 59.7748 31.9553 178.6447 141 D 4.3585 8.1551 119.0267 57.2145 40.6762 178.8622 142 I 3.5450 7.6301 120.3414 64.1732 36.9182 178.3002 143 A 3.7225 8.2250 121.8287 54.9632 18.1231 179.5686 144 A 3.9385 7.9419 119.3651 55.1620 18.4978 180.0927 145 K 3.9965 7.8675 116.9825 59.6614 32.0711 179.0033 146 Y 4.1008 8.5451 117.5457 61.1758 37.8258 178.8619 147 K 3.9922 8.4624 120.5506 59.3393 32.0654 178.1048 148 E 3.9371 7.9818 118.6657 59.4725 29.6514 178.3074 149 L 4.4687 7.7288 114.8051 54.5486 41.9310 177.2169 150 G 3.7527 8.0929 107.1221 46.7699 0.0000 173.8633 151 Y 4.5920 8.2775 114.2073 57.1896 39.0519 176.8295 152 Q 4.1312 8.2580 122.8956 57.8576 29.5563 176.0645 153 G 4.0547 8.2712 110.3208 45.6783 0.0000 173.0561 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 V 8.05 4.09 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.27 3.99 0.00 0.62 0.63 0.51 -0.57 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 3 S 9.73 4.53 0.00 4.03 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 4 E 8.84 4.27 0.00 2.07 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 2.51 2.39 0.00 5 G 8.12 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 6 E 8.17 3.92 0.00 2.03 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 0.00 2.22 2.28 0.00 7 W 8.30 4.47 0.00 3.52 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 8 Q 8.59 4.09 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 7.98 4.08 0.00 1.99 1.76 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.96 3.75 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 1.23 0.00 0.00 0.90 0.00 0.00 11 L 8.51 4.36 0.00 1.86 1.82 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.32 4.25 0.00 3.32 3.58 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.74 2.48 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 0.98 0.00 0.00 0.79 0.00 0.00 14 W 8.63 3.81 0.00 3.69 3.23 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 15 A 8.03 4.03 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 16 K 7.66 3.91 0.00 1.43 1.54 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.71 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.47 1.42 7.81 17 V 6.91 2.95 0.75 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 -0.01 0.00 0.00 0.21 0.00 0.00 18 E 7.30 3.95 0.00 1.87 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 2.23 1.99 0.00 19 A 7.48 4.18 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 20 D 7.98 4.63 0.00 2.65 2.52 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 21 V 7.82 3.46 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 1.06 0.00 0.00 0.84 0.00 0.00 22 A 7.99 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 23 G 8.41 3.66 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 0.00 24 H 8.25 4.18 0.00 3.27 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.35 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 0.00 0.00 0.00 26 Q 8.20 3.88 0.00 2.20 2.08 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 2.30 2.47 0.00 27 D 7.96 4.30 0.00 2.74 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 28 I 7.92 3.65 1.87 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 1.51 0.63 0.88 0.00 0.00 29 L 7.73 3.41 0.00 1.26 0.72 0.73 0.37 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 30 I 7.62 3.58 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.58 0.88 0.00 0.00 31 R 7.92 3.78 0.00 1.89 2.03 0.00 3.06 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 32 L 7.87 3.95 0.00 1.78 1.50 1.09 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.15 4.59 0.00 3.14 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 34 K 8.18 4.06 0.00 1.76 1.83 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.48 1.63 7.81 35 S 8.18 4.29 0.00 3.75 3.57 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 36 H 8.10 4.69 0.00 3.05 2.79 0.00 5.63 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 37 P 0.00 4.48 0.00 2.14 2.09 0.00 3.81 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.97 0.00 38 E 8.23 4.10 0.00 2.29 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 0.00 1.99 2.36 0.00 39 T 8.24 4.08 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 1.04 0.00 0.00 40 L 7.89 3.61 0.00 1.22 1.72 0.01 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.70 3.99 0.00 2.15 2.26 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 2.39 2.45 0.00 42 K 8.03 4.47 0.00 1.98 1.72 0.00 1.84 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.75 1.92 7.81 43 F 8.26 4.64 0.00 3.18 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 44 D 8.64 4.40 0.00 2.63 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 45 R 7.88 3.83 0.00 1.47 1.19 0.00 2.99 0.00 0.00 2.89 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.27 0.00 46 F 8.07 5.08 0.00 2.90 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 47 K 8.17 4.10 0.00 1.86 2.22 0.00 1.60 0.00 0.00 1.79 0.00 0.00 3.19 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.67 1.45 7.81 48 H 8.12 4.36 0.00 3.31 3.48 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.69 4.16 0.00 1.62 1.59 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.51 4.53 0.00 1.74 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.47 7.81 51 T 7.50 4.74 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 52 E 8.67 3.91 0.00 2.04 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 0.00 2.36 2.36 0.00 53 A 7.96 3.99 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 54 E 8.20 3.94 0.00 2.12 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 2.36 2.35 0.00 55 M 8.13 4.18 0.00 2.06 2.27 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.60 0.00 56 K 8.23 3.99 0.00 1.82 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.08 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.56 7.81 57 A 7.71 4.40 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 58 S 7.52 4.33 0.00 3.95 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 59 E 8.87 4.00 0.00 2.14 1.96 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 2.40 2.46 0.00 60 D 8.19 4.42 0.00 2.91 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 61 L 8.13 3.43 0.00 1.43 1.62 -0.16 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.96 3.87 0.00 1.88 1.97 0.00 1.67 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.45 7.81 63 K 8.36 4.00 0.00 2.22 1.94 0.00 1.77 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.50 7.81 64 H 8.70 4.42 0.00 3.62 3.49 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.37 3.60 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 0.00 0.00 0.00 66 V 7.72 3.59 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 7.89 3.89 4.37 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 1.27 0.00 0.00 68 V 7.89 3.58 2.22 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 1.15 0.00 0.00 0.97 0.00 0.00 69 L 8.19 4.22 0.00 1.80 1.91 0.87 0.78 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 70 T 8.41 3.97 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 1.25 0.00 0.00 71 A 8.03 4.00 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 72 L 8.20 3.75 0.00 1.57 1.69 0.30 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.51 3.22 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 0.00 74 A 7.79 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 75 I 7.61 3.79 1.92 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.63 0.96 0.00 0.00 76 L 7.88 4.00 0.00 1.33 1.58 -0.18 0.90 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 77 K 7.74 4.03 0.00 1.72 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.52 7.81 78 K 7.87 3.98 0.00 1.83 1.81 0.00 1.78 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.64 1.76 7.81 79 K 8.37 2.00 0.00 1.20 0.74 0.00 1.44 0.00 0.00 1.40 0.00 0.00 2.62 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.30 0.68 7.81 80 G 8.09 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 81 H 7.44 4.60 0.00 3.16 3.24 0.00 5.80 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 82 H 7.23 5.28 0.00 3.28 3.46 0.00 5.66 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.61 3.95 0.00 2.12 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 2.39 2.47 0.00 84 A 7.92 4.06 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 85 E 8.11 4.11 0.00 2.26 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 2.41 2.47 0.00 86 L 8.19 4.34 0.00 1.74 1.67 0.97 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.94 3.86 0.00 1.84 1.88 0.00 1.67 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.64 7.81 88 P 0.00 4.29 0.00 2.28 2.31 0.00 3.84 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 89 L 7.50 3.97 0.00 1.90 1.87 0.98 1.17 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 90 A 8.54 4.13 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 91 Q 8.16 3.80 0.00 2.26 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 92 S 8.30 3.98 0.00 3.86 4.08 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 93 H 8.62 4.19 0.00 3.48 3.57 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.88 2.99 -0.10 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 95 T 7.19 3.76 4.11 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 0.79 0.00 0.00 96 K 7.46 4.21 0.00 1.55 1.72 0.00 1.64 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.19 1.34 7.81 97 H 8.07 4.35 0.00 3.00 3.13 0.00 5.86 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.68 3.74 0.00 1.88 1.86 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.38 7.81 99 I 7.84 4.20 2.03 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 1.32 0.92 1.08 0.00 0.00 100 P 0.00 4.42 0.00 1.71 1.78 0.00 2.32 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 1.09 1.79 0.00 101 I 8.42 3.39 1.71 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.56 0.71 0.00 0.00 102 K 7.94 3.66 0.00 1.75 1.72 0.00 1.55 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.45 0.69 7.81 103 Y 8.05 4.03 0.00 3.10 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 0.00 104 L 7.90 4.18 0.00 1.82 1.82 0.66 0.94 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 0.00 105 E 7.87 3.95 0.00 1.95 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 2.44 2.42 0.00 106 F 7.76 4.48 0.00 3.21 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 0.00 107 I 8.17 3.88 2.02 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 1.57 1.66 1.08 0.00 0.00 108 S 8.28 4.18 0.00 4.18 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 0.00 109 E 8.54 4.07 0.00 2.29 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 0.00 2.66 2.60 0.00 110 A 8.17 4.03 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 0.00 111 I 8.13 3.69 2.09 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.72 1.04 0.00 0.00 112 I 7.94 3.86 2.01 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 1.69 1.16 1.19 0.00 0.00 113 H 8.51 4.15 0.00 3.33 3.47 0.00 5.59 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.00 3.59 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 0.97 0.00 0.00 0.98 0.00 0.00 115 L 8.04 3.78 0.00 1.21 0.39 0.78 0.68 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 0.00 116 H 8.05 4.45 0.00 3.58 3.63 0.00 5.95 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 0.00 117 S 8.00 4.20 0.00 3.98 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 0.00 118 R 7.83 4.12 0.00 1.49 1.53 0.00 2.73 0.00 0.00 2.70 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.56 0.00 119 H 8.11 5.01 0.00 3.18 3.18 0.00 5.62 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.28 0.00 2.19 2.23 0.00 3.76 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 2.06 1.93 0.00 121 G 8.16 3.70 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 0.00 0.00 0.00 122 D 8.09 5.05 0.00 2.76 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 0.00 123 F 8.05 5.01 0.00 3.01 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 0.00 124 G 8.01 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 0.00 125 A 8.39 3.91 1.26 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 0.00 126 D 7.98 4.19 0.00 2.87 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 0.00 127 A 7.77 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 0.00 128 Q 7.84 3.23 0.00 1.95 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.82 1.63 0.00 129 G 8.27 3.48 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 0.00 130 A 8.00 3.86 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 0.00 131 M 8.46 4.00 0.00 2.40 2.49 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 132 N 8.50 4.30 0.00 2.86 2.95 0.00 0.00 7.20 8.05 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 0.00 133 K 8.20 3.87 0.00 1.85 1.66 0.00 1.58 0.00 0.00 1.49 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.38 1.50 7.81 134 A 8.10 3.81 1.25 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 0.00 0.00 135 L 8.30 4.10 0.00 1.74 1.79 0.97 1.05 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 0.00 136 E 8.54 3.98 0.00 2.21 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 2.34 2.53 0.00 137 L 8.16 4.00 0.00 1.78 1.95 1.03 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.34 4.12 0.00 3.05 3.23 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 0.00 139 R 8.26 3.56 0.00 2.03 1.86 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.97 0.00 140 K 8.46 3.83 0.00 1.79 1.96 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 D 8.16 4.36 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 0.00 142 I 7.63 3.54 1.31 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 -0.23 0.46 0.00 0.00 143 A 8.23 3.72 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 0.00 144 A 7.94 3.94 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 0.00 145 K 7.87 4.00 0.00 2.02 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.63 7.81 146 Y 8.55 4.10 0.00 3.05 3.05 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 0.00 147 K 8.46 3.99 0.00 2.10 2.00 0.00 1.66 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.98 3.94 0.00 2.04 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 2.35 2.39 0.00 149 L 7.73 4.47 0.00 2.00 1.95 0.80 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.09 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 0.00 151 Y 8.28 4.59 0.00 2.64 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 0.00 152 Q 8.26 4.13 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.78 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 153 G 8.27 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 0.00 0.00 0.00