NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 N 4.8835 8.2833 119.1602 53.1291 39.8560 174.7914 2 L 3.9964 8.7238 127.5045 57.8812 41.4809 178.3847 3 L 4.0360 8.7039 120.2093 57.8922 42.1073 178.9718 4 Q 4.1853 8.7379 118.3327 58.4712 28.5599 178.5242 5 F 4.4629 8.1004 121.5672 61.6164 39.6598 176.7593 6 N 4.0645 8.5170 116.4450 55.9757 37.9960 177.4068 7 K 3.9637 7.6128 120.0615 59.8258 32.6609 178.3009 8 M 4.2271 7.9890 118.9048 58.6401 31.8194 178.9098 9 I 3.5952 7.7882 119.7228 64.0518 37.1854 178.3573 10 K 4.7556 7.8247 121.6855 58.9366 31.8463 178.2864 *12 E 4.2826 7.8700 115.7624 56.5603 31.3707 177.1923 13 E 4.0721 8.4015 116.9449 59.0812 29.5392 178.1258 14 T 4.1815 7.9980 106.3824 60.8400 69.6793 176.0468 15 G 3.8575 8.3496 110.1847 45.4704 0.0000 173.5625 16 K 4.3163 7.5995 119.1183 54.5946 33.1994 174.9343 17 N 4.9586 8.5010 117.2888 51.9996 40.0666 176.1526 18 A 4.1757 8.7968 125.8334 54.8422 18.5210 177.3891 19 I 4.6539 7.5971 114.8291 59.0624 39.3065 173.9655 20 P 4.6828 0.0000 0.0000 63.3759 32.2196 177.5154 21 F 4.3593 6.5912 117.6746 59.5895 38.8382 175.6783 22 Y 4.6714 8.3505 114.0840 57.2741 39.8811 176.5796 23 A 3.8479 7.6657 122.1869 54.2006 19.0146 177.8963 24 F 5.1299 7.6200 113.7629 57.1716 40.0552 173.9094 25 Y 4.9853 8.1764 121.6146 56.7838 41.2879 174.9435 26 G 3.3491 7.8231 115.9965 47.1858 0.0000 173.5951 27 C 4.6347 9.1399 117.1399 57.3151 40.1892 173.6336 28 Y 4.4574 8.3166 115.4862 57.4749 39.5431 174.8311 29 C 4.9869 8.2233 117.8266 57.5966 42.0911 174.0548 30 G 4.1840 8.2361 110.7448 47.2343 0.0000 176.2988 31 W 4.0900 9.4084 120.4619 61.8177 28.7228 177.2847 32 G 4.5942 6.5783 108.7630 44.1761 0.0000 174.9695 33 G 3.9340 7.8521 117.3480 44.5901 0.0000 172.7192 34 Q 5.0626 7.2206 124.8738 56.3632 31.3188 172.9841 35 G 4.1095 8.6980 102.4784 44.1472 0.0000 172.0889 36 K 4.7682 8.2981 118.0008 53.5038 34.5080 174.3634 37 P 4.5719 0.0000 0.0000 63.0778 31.8230 176.7776 38 K 3.8423 9.8381 124.3965 59.1031 32.1744 176.2764 39 D 4.6307 7.5846 115.6795 51.2475 41.8593 175.0841 40 G 3.8429 9.0643 105.2100 48.8833 0.0000 175.1952 41 T 4.2209 8.2371 118.1498 66.4550 68.6727 175.8231 42 D 4.6234 8.7871 119.6892 57.7576 41.0576 178.4735 43 R 4.0586 8.4804 119.1658 59.2921 29.9438 177.7053 44 C 4.1489 8.3732 116.8315 60.2513 38.4512 175.5020 45 C 4.3518 8.1958 117.5255 59.8733 35.8345 175.6526 46 F 3.8539 8.0587 121.8352 61.3571 38.9674 177.4505 47 V 3.2743 8.1006 117.9891 65.7444 31.1510 177.5245 48 H 3.8526 7.7295 118.0002 59.1096 29.5893 176.8461 49 D 4.1793 7.7865 120.6327 57.6193 40.4288 178.2643 50 C 4.0536 7.2384 115.4814 59.8806 35.2181 174.9644 51 C 4.2601 8.2591 120.3540 60.1434 41.7378 175.3332 52 Y 4.2045 8.1448 118.4137 61.0488 37.1732 178.7552 53 G 3.7646 8.1310 106.1913 47.9029 0.0000 175.1336 54 R 4.1937 7.6618 117.1396 56.6744 31.2666 176.7821 55 L 4.6933 7.7119 120.0741 53.1151 41.7314 177.2881 56 V 3.5366 7.6301 114.0892 64.6764 32.3591 178.3647 *59 N 5.1120 7.9488 114.7614 52.7669 38.7563 174.2856 *61 C 5.1724 7.7379 114.3596 57.8397 42.0515 172.4810 *67 N 5.4386 8.3827 119.0388 53.2049 38.6483 174.4983 68 T 3.4352 7.7705 111.3961 64.0474 69.2872 176.7119 69 K 4.1805 8.1907 121.1868 58.6649 32.4214 178.4519 70 S 4.8183 8.5232 109.9497 57.4298 64.1197 173.8593 71 D 4.2770 8.0636 122.1760 54.4037 41.1223 175.3856 72 I 4.0438 8.2613 128.2216 60.6617 37.8174 174.7526 73 Y 4.8917 7.8956 123.2752 54.9823 40.6836 174.5776 74 S 5.1581 8.5895 114.6193 57.0127 65.2102 172.7121 75 Y 5.2635 8.4607 120.5691 56.3438 41.0842 173.6439 76 S 4.3085 9.3554 113.7009 57.3452 66.8004 173.8471 77 L 4.5228 8.2456 122.4445 53.6591 40.0335 175.1307 78 K 3.9791 8.7875 121.4493 56.1160 32.0900 175.9782 79 E 3.7908 8.9409 129.6791 58.2469 27.0532 173.8416 80 G 4.1532 8.0807 99.7831 46.6292 0.0000 171.5057 81 Y 4.5489 7.6106 114.9957 55.4862 42.0956 175.1815 82 I 4.1818 8.7005 125.4870 62.0311 37.9620 175.5407 83 T 4.7239 9.2257 124.4218 61.8278 71.7816 172.7483 84 C 4.8423 8.9114 123.8063 56.4662 41.4540 174.1159 85 G 4.0502 8.8960 111.2999 44.4800 0.0000 172.6802 86 K 4.9822 7.8994 119.6863 54.8479 34.0060 175.7227 *88 G 4.3077 8.0935 112.5142 45.5703 0.0000 174.0328 89 T 4.3515 8.9173 115.6003 60.5023 71.4053 175.0780 90 N 4.2253 8.6783 120.0208 57.3532 38.8309 177.7372 91 C 4.2569 8.0699 117.0614 59.9606 40.5234 175.6953 92 E 4.0153 8.0614 119.9144 59.7119 29.0969 179.4263 93 E 3.8816 8.5561 118.9017 59.2968 29.4494 179.5930 94 Q 3.9013 8.4899 118.5988 58.8987 28.8640 178.5863 95 I 3.6065 8.1216 121.1368 64.5228 37.1824 177.5341 96 C 3.1389 7.9907 119.3824 59.4423 42.4526 175.4929 97 E 3.7898 7.8473 119.7494 59.4754 28.9075 178.6295 98 C 4.1527 8.0713 116.4949 60.0670 40.6091 176.0053 99 D 3.5278 7.9081 120.1571 57.1016 40.5470 178.3782 100 R 3.7795 8.1568 119.4322 59.7751 29.9855 178.4737 101 V 3.4977 7.7046 117.3099 65.9446 31.4803 177.8645 102 A 3.5752 7.6411 119.9459 54.9272 18.0195 179.4811 103 A 4.0649 8.0411 119.2841 55.4284 18.4785 179.7691 104 E 3.9028 8.0533 116.6689 59.2992 29.5687 178.6303 105 C 4.1828 8.0008 118.8332 59.6298 43.4091 175.6309 106 F 4.4475 7.4495 118.2704 60.5350 38.7587 177.3506 107 R 4.0526 7.7096 118.2786 59.7139 29.7724 178.9190 108 R 4.0437 7.9712 116.0998 58.4895 30.2030 177.7810 109 N 4.9221 7.8430 114.4205 53.1268 38.8219 176.5609 110 L 4.0821 7.9596 124.4511 58.0632 41.4654 179.1926 111 D 4.4440 8.2563 117.0729 55.8732 39.4086 176.9963 112 T 4.5103 7.6736 107.6680 61.0691 68.7591 173.8518 113 Y 4.1997 8.0542 125.0237 58.0180 39.3321 174.2319 114 N 5.1336 8.6387 125.4262 51.5144 40.5176 174.8403 115 N 4.3806 8.7860 123.5104 55.6960 38.8633 176.9619 116 G 3.5971 9.2092 107.2036 47.1977 0.0000 174.0458 117 Y 4.6235 7.5305 117.4962 58.9706 38.5889 175.5968 118 M 4.5790 7.2577 119.4034 56.7147 32.8252 175.5201 119 F 3.4852 9.1988 123.0469 58.5813 37.1921 175.0728 120 Y 4.1932 8.1387 120.8722 56.5389 39.5899 174.5198 121 R 3.8925 7.9979 127.8273 56.2651 30.7404 176.7472 122 D 4.5796 8.7592 125.8084 56.8885 41.0954 178.2605 *124 S 4.4971 7.9086 112.2896 58.0582 64.6957 174.5714 125 K 4.3185 8.2391 118.7620 56.7429 32.0874 176.7159 126 C 5.0376 7.5832 117.1865 56.5248 39.7371 176.3715 127 T 4.3658 7.3184 116.9040 62.1123 67.9006 174.3953 128 E 4.6442 7.9810 121.7288 55.1428 31.8091 175.4176 129 T 4.0176 8.6706 116.8977 64.1698 68.4775 174.3227 130 S 5.0608 8.5411 122.5431 58.2710 63.4085 174.7160 131 E 4.1594 8.7624 122.7185 56.5521 30.0911 175.7108 132 E 4.7329 8.4929 122.2066 54.7180 31.7975 176.5475 133 C 4.5462 8.7112 121.1440 57.3963 41.3714 173.6707 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 N 8.28 4.88 0.00 2.76 2.69 0.00 0.00 7.03 5.78 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 2 L 8.72 4.00 0.00 1.78 1.85 0.97 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.70 4.04 0.00 1.66 1.73 0.95 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 4 Q 8.74 4.19 0.00 1.96 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.82 0.00 0.00 0.00 0.00 0.00 2.38 2.32 0.00 5 F 8.10 4.46 0.00 3.24 3.16 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 0.00 0.00 0.00 6 N 8.52 4.06 0.00 2.91 2.81 0.00 0.00 6.73 7.33 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 7 K 7.61 3.96 0.00 1.96 2.12 0.00 1.76 0.00 0.00 1.77 0.00 0.00 3.23 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.64 1.62 7.81 8 M 7.99 4.23 0.00 2.18 2.44 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.42 0.00 9 I 7.79 3.60 1.75 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.28 0.42 0.00 0.00 10 K 7.82 4.76 0.00 1.94 2.02 0.00 1.57 0.00 0.00 1.84 0.00 0.00 3.04 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.39 7.81 *12 E 7.87 4.28 0.00 2.30 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 2.25 2.36 0.00 13 E 8.40 4.07 0.00 2.00 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 2.45 2.37 0.00 14 T 8.00 4.18 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 1.15 0.00 0.00 15 G 8.35 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 7.60 4.32 0.00 1.71 1.31 0.00 0.78 0.00 0.00 0.61 0.00 0.00 2.42 0.00 0.00 2.41 0.00 0.00 0.00 0.00 0.61 0.98 7.81 17 N 8.50 4.96 0.00 3.08 2.92 0.00 0.00 6.65 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 18 A 8.80 4.18 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 19 I 7.60 4.65 1.91 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.63 1.03 0.00 0.00 20 P 0.00 4.68 0.00 2.43 2.54 0.00 2.99 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 1.40 1.80 0.00 21 F 6.59 4.36 0.00 3.36 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.35 4.67 0.00 2.71 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 0.00 0.00 0.00 0.00 23 A 7.67 3.85 0.51 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 24 F 7.62 5.13 0.00 2.97 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.18 4.99 0.00 3.09 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 26 G 7.82 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 0.00 0.00 0.00 27 C 9.14 4.63 0.00 2.88 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 28 Y 8.32 4.46 0.00 3.35 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 C 8.22 4.99 0.00 3.40 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 30 G 8.24 4.18 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 0.00 0.00 0.00 31 W 9.41 4.09 0.00 3.58 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 32 G 6.58 4.59 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 0.00 0.00 0.00 33 G 7.85 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 34 Q 7.22 5.06 0.00 2.15 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.31 0.00 0.00 0.00 0.00 0.00 2.23 2.31 0.00 35 G 8.70 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 0.00 0.00 0.00 0.00 36 K 8.30 4.77 0.00 1.69 1.63 0.00 1.73 0.00 0.00 1.63 0.00 0.00 3.13 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.34 1.34 7.81 37 P 0.00 4.57 0.00 1.94 2.09 0.00 3.38 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.58 0.00 38 K 9.84 3.84 0.00 1.12 0.74 0.00 1.40 0.00 0.00 1.19 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.30 0.57 7.81 39 D 7.58 4.63 0.00 2.91 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 40 G 9.06 3.84 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 0.00 0.00 0.00 41 T 8.24 4.22 4.52 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 1.09 0.00 0.00 42 D 8.79 4.62 0.00 3.16 2.96 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 43 R 8.48 4.06 0.00 2.00 2.15 0.00 3.17 0.00 0.00 3.18 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 44 C 8.37 4.15 0.00 3.14 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 45 C 8.20 4.35 0.00 3.46 3.47 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 46 F 8.06 3.85 0.00 2.71 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 47 V 8.10 3.27 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 0.76 0.00 0.00 1.02 0.00 0.00 48 H 7.73 3.85 0.00 3.13 3.29 0.00 5.65 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 D 7.79 4.18 0.00 2.77 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 C 7.24 4.05 0.00 2.82 2.91 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 51 C 8.26 4.26 0.00 2.93 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 52 Y 8.14 4.20 0.00 3.08 2.87 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.13 3.76 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 0.00 0.00 0.00 54 R 7.66 4.19 0.00 1.96 1.95 0.00 3.09 0.00 0.00 3.18 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.81 0.00 55 L 7.71 4.69 0.00 1.62 1.50 0.87 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 56 V 7.63 3.54 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 0.90 0.00 0.00 0.97 0.00 0.00 *59 N 7.95 5.11 0.00 2.90 3.05 0.00 0.00 6.71 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *61 C 7.74 5.17 0.00 2.90 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 *67 N 8.38 5.44 0.00 2.71 2.72 0.00 0.00 7.40 7.22 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 68 T 7.77 3.44 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 69 K 8.19 4.18 0.00 1.82 1.92 0.00 1.71 0.00 0.00 1.99 0.00 0.00 3.03 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.51 1.39 7.81 70 S 8.52 4.82 0.00 3.89 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 71 D 8.06 4.28 0.00 2.71 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.26 4.04 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 1.37 0.77 0.86 0.00 0.00 73 Y 7.90 4.89 0.00 3.01 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 74 S 8.59 5.16 0.00 3.97 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 75 Y 8.46 5.26 0.00 3.13 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 76 S 9.36 4.31 0.00 3.76 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 77 L 8.25 4.52 0.00 1.57 1.71 1.05 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 78 K 8.79 3.98 0.00 1.80 1.77 0.00 1.77 0.00 0.00 1.59 0.00 0.00 2.84 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.44 1.39 7.81 79 E 8.94 3.79 0.00 2.18 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 0.00 2.22 2.25 0.00 80 G 8.08 4.15 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 0.00 0.00 0.00 81 Y 7.61 4.55 0.00 3.32 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 82 I 8.70 4.18 1.91 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.60 0.95 0.00 0.00 83 T 9.23 4.72 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 84 C 8.91 4.84 0.00 2.80 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 85 G 8.90 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 86 K 7.90 4.98 0.00 1.81 1.68 0.00 1.79 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.64 1.39 7.81 *88 G 8.09 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 T 8.92 4.35 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 1.22 0.00 0.00 90 N 8.68 4.23 0.00 2.76 2.85 0.00 0.00 6.92 7.65 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 91 C 8.07 4.26 0.00 2.99 3.08 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 92 E 8.06 4.02 0.00 2.33 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 0.00 2.58 2.54 0.00 93 E 8.56 3.88 0.00 1.94 1.95 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 2.47 2.42 0.00 94 Q 8.49 3.90 0.00 2.06 2.08 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 2.48 2.49 0.00 95 I 8.12 3.61 1.99 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 1.08 0.74 1.03 0.00 0.00 96 C 7.99 3.14 0.00 1.99 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 97 E 7.85 3.79 0.00 2.21 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 98 C 8.07 4.15 0.00 3.30 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 99 D 7.91 3.53 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 0.00 100 R 8.16 3.78 0.00 1.84 1.96 0.00 3.29 0.00 0.00 3.20 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.63 0.00 101 V 7.70 3.50 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 0.86 0.00 0.00 0.89 0.00 0.00 102 A 7.64 3.58 1.08 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 0.00 103 A 8.04 4.06 1.46 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 0.00 104 E 8.05 3.90 0.00 2.12 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 2.45 2.57 0.00 105 C 8.00 4.18 0.00 2.95 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 0.00 106 F 7.45 4.45 0.00 3.12 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 R 7.71 4.05 0.00 1.84 1.98 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.84 0.00 108 R 7.97 4.04 0.00 1.84 2.00 0.00 3.20 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 109 N 7.84 4.92 0.00 2.96 2.93 0.00 0.00 6.86 6.65 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 0.00 110 L 7.96 4.08 0.00 2.01 1.75 0.87 0.83 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 0.00 111 D 8.26 4.44 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 0.00 112 T 7.67 4.51 4.35 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 1.28 0.00 0.00 113 Y 8.05 4.20 0.00 3.16 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 0.00 114 N 8.64 5.13 0.00 2.62 2.27 0.00 0.00 6.86 6.84 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 0.00 115 N 8.79 4.38 0.00 2.84 2.90 0.00 0.00 7.01 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 G 9.21 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 0.00 117 Y 7.53 4.62 0.00 2.19 1.75 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 0.00 118 M 7.26 4.58 0.00 2.12 2.11 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 2.93 2.90 0.00 119 F 9.20 3.49 0.00 3.12 3.14 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 0.00 120 Y 8.14 4.19 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 0.00 121 R 8.00 3.89 0.00 1.75 1.53 0.00 3.22 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 122 D 8.76 4.58 0.00 2.75 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 *124 S 7.91 4.50 0.00 3.96 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 0.00 125 K 8.24 4.32 0.00 1.41 1.81 0.00 1.26 0.00 0.00 0.67 0.00 0.00 2.72 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.21 7.81 126 C 7.58 5.04 0.00 3.04 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 0.00 127 T 7.32 4.37 4.26 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 1.22 0.00 0.00 128 E 7.98 4.64 0.00 2.09 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 2.21 2.33 0.00 129 T 8.67 4.02 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 1.23 0.00 0.00 130 S 8.54 5.06 0.00 3.87 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 0.00 131 E 8.76 4.16 0.00 1.24 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 2.17 2.07 0.00 132 E 8.49 4.73 0.00 1.99 1.88 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 2.24 2.42 0.00 133 C 8.71 4.55 0.00 2.97 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 * Residues marked with a * may have inaccurate shift predictions.