NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.6445 8.2644 122.4783 51.7728 20.5189 175.3297 2 W 4.9446 9.6695 128.5522 54.7898 34.3484 172.0240 3 K 4.5149 7.6860 127.0370 54.6893 35.0298 174.6956 4 G 3.4606 7.6646 112.8549 45.7927 0.0000 170.9829 5 E 5.2170 8.5671 118.6785 54.6425 32.1892 175.7341 6 V 4.5388 8.8517 125.0330 60.9918 33.3851 174.7595 7 L 4.3982 8.4778 128.8754 54.4909 42.0481 178.6441 8 A 3.1916 8.4606 127.2760 54.4455 18.3498 177.8932 9 N 5.0298 7.9286 110.9887 52.9226 37.8841 175.3918 10 N 4.6105 7.8282 120.3861 52.1318 37.5748 174.8203 11 E 2.5400 8.1840 124.4932 58.0626 30.0939 178.1388 12 A 3.8872 7.7440 120.6998 53.2080 18.7142 178.2050 13 G 3.9285 7.9758 100.0916 45.2283 0.0000 172.3548 14 Q 4.5907 9.1868 121.4575 54.3062 30.3544 175.0899 15 V 4.1831 8.4074 127.0587 61.5998 32.6371 175.6401 16 T 3.7951 7.9947 114.1122 59.4091 70.9053 174.6314 17 S 4.2921 8.0955 114.7867 59.4055 63.6521 173.9764 18 I 4.0956 7.4777 124.2080 61.0222 38.0377 174.8707 19 I 4.6425 8.2523 128.7901 59.7292 38.3798 174.9915 20 Y 4.1250 9.0850 130.6060 57.5631 39.6666 174.1802 21 N 5.1895 8.4511 124.2358 50.3243 42.0438 172.8448 22 P 4.3868 0.0000 0.0000 64.6645 31.8081 176.6080 23 G 3.9818 8.8531 110.9886 45.1961 0.0000 173.5590 24 D 4.3530 7.2273 119.3206 54.4338 41.5630 176.0878 25 V 4.7802 8.3865 122.4766 61.2498 33.8583 174.3780 26 I 5.2458 9.0639 120.3005 59.5493 41.6112 174.1782 27 T 5.1856 8.9668 119.1320 61.9614 72.5121 173.1173 28 I 5.1041 8.8381 125.7067 59.5064 41.2334 174.4728 29 V 4.8961 8.7351 125.9736 60.9564 34.3628 173.9062 30 A 5.2627 8.7789 128.9845 50.1548 21.3916 175.0107 31 A 4.3766 9.8128 122.9974 50.5954 23.5768 176.0365 32 G 3.7522 7.3007 104.3212 43.8301 0.0000 171.9806 33 W 5.9758 8.5325 118.9760 55.1741 32.6423 174.8920 34 A 4.9770 9.9170 125.4003 50.5592 22.7898 174.6075 35 S 5.3909 9.3699 114.1709 56.7811 65.8498 174.1042 36 Y 5.3256 8.4170 122.2397 55.5942 38.5869 177.0550 37 G 4.7687 7.6055 120.2652 46.7649 0.0000 171.9071 38 P 4.3873 0.0000 0.0000 61.9675 31.9371 176.7076 39 T 3.9026 8.3358 109.9683 64.5592 68.9127 175.1032 40 Q 3.7297 7.7772 121.3964 56.0593 29.4366 175.1593 41 K 5.0334 7.5500 120.6402 54.4343 35.8908 175.3705 42 W 5.3307 10.0145 121.4924 55.1271 33.8146 175.9978 43 G 4.4138 8.8729 109.4600 44.6769 0.0000 172.2700 44 P 3.7082 0.0000 0.0000 64.1714 31.1173 177.5973 45 Q 4.3383 7.9439 117.2490 56.1019 29.8057 177.9254 46 G 3.7694 8.3212 106.5039 45.5905 0.0000 173.5893 47 D 4.4951 8.0529 122.7577 51.9812 41.4996 177.7013 48 R 2.0000 8.0947 123.2880 57.0465 29.5852 177.2888 49 E 4.1852 8.2588 117.9288 57.3539 30.3159 175.8287 50 H 4.4012 7.4805 119.6671 54.5081 30.4847 173.1962 51 P 4.3116 0.0000 0.0000 62.2286 32.2565 175.8428 52 D 4.4397 8.3612 119.4546 54.0039 40.2334 176.0885 53 Q 4.3841 8.3207 124.8899 55.8614 29.1821 176.3291 54 G 4.2572 8.4076 107.4259 46.1753 0.0000 174.7838 55 L 4.3065 8.5608 118.7850 54.1714 42.4699 178.6210 56 I 3.7810 8.0497 114.9706 63.1259 37.7618 175.7658 57 C 4.6436 8.5074 120.8186 56.5823 32.9896 173.8426 58 H 4.6588 8.7690 122.5112 56.9374 28.5755 175.6643 59 D 4.5613 7.6663 118.7980 53.7742 40.8156 175.4821 60 A 4.3428 7.0935 119.6460 50.2388 22.5331 176.8189 61 F 4.6336 7.8906 118.0765 56.7410 40.0782 174.9992 62 C 3.9685 8.3265 122.7985 60.9437 31.5538 174.6459 63 G 3.4107 8.8397 114.8179 44.5838 0.0000 173.2929 64 A 4.5438 7.4823 121.7450 51.0519 20.2634 176.9574 65 L 4.6077 8.4396 122.4810 55.1951 43.6126 176.4210 66 V 5.1693 8.7705 118.1991 60.3019 36.9305 173.5354 67 M 5.2652 8.8672 117.8041 54.3647 35.1621 173.8264 68 K 4.8436 8.9466 118.0075 54.5850 36.4622 175.6949 69 I 4.5235 8.8135 124.8550 59.1791 39.1962 175.7713 70 G 3.8355 8.7407 118.4564 46.5066 0.0000 173.0448 71 N 4.7979 8.6805 119.3316 53.2669 39.0779 174.9759 72 S 4.3599 7.6723 111.1299 57.0440 63.8552 173.5478 73 G 3.9022 8.1838 110.6265 44.8945 0.0000 173.0767 74 T 4.4148 8.1237 108.8839 61.6170 70.5140 173.8806 75 I 4.8110 8.4981 123.8123 58.7942 40.9988 173.1041 76 P 4.3141 0.0000 0.0000 63.0626 31.1976 175.8952 77 V 3.8728 8.4532 122.8064 63.7812 33.9916 175.4633 78 N 4.2597 7.8232 116.9270 54.5200 37.5744 177.1838 79 T 3.7748 8.3836 114.5391 63.5783 69.0350 174.7605 80 G 4.2377 5.7974 108.5756 44.5003 0.0000 171.2288 81 L 4.5977 8.0970 119.0642 52.6554 44.3694 175.7802 82 F 4.7860 8.9851 125.6207 57.0967 40.3959 175.6621 83 R 3.8168 7.9509 129.7030 55.5551 27.9192 176.3224 84 W 4.7299 9.0061 128.0838 55.7615 32.5688 174.7212 85 V 4.6200 7.4471 124.3000 60.5664 34.1753 175.2485 86 A 2.9618 7.4914 130.6993 51.4546 17.5542 178.7477 *89 N 4.5935 8.6243 111.8372 55.8326 39.6520 174.2731 90 V 4.4750 7.4769 110.1569 59.9768 34.0178 175.5238 91 Q 4.7799 8.2789 118.5137 56.1810 30.7823 172.0970 92 G 3.6497 8.6340 104.4277 43.4591 0.0000 172.9160 93 A 4.5327 8.5303 120.4100 52.2035 19.6420 176.8888 94 I 4.5148 8.7320 123.4253 60.9438 38.8372 175.0047 95 T 4.7978 8.5156 123.9134 61.7082 71.0526 173.3057 96 L 4.9349 8.8188 127.0989 53.7401 43.9021 175.8903 97 I 5.0172 8.6085 122.7492 59.6511 41.6632 173.9012 98 Y 4.5940 8.8736 127.3161 57.6164 40.3288 173.9672 99 N 4.7833 8.6915 126.3346 53.2550 39.9931 173.0812 100 D 4.5408 8.2257 125.1489 52.8049 45.9335 173.5450 101 V 4.3919 7.6951 119.4622 60.9077 32.2380 173.4443 102 P 4.7555 0.0000 0.0000 64.6938 31.6054 176.6240 103 G 4.1059 9.5285 110.8329 45.6701 0.0000 174.2832 104 T 4.5790 7.7350 107.7318 61.7358 69.1023 174.8143 105 Y 4.2793 8.2132 119.9042 59.5086 38.4888 177.6118 106 G 3.7348 8.3441 109.1224 48.2205 0.0000 173.9183 107 N 4.7983 8.1248 115.4433 52.4734 38.0285 174.1117 108 N 4.9913 7.8591 116.6675 52.9299 40.0183 174.3840 109 S 4.6642 8.5859 114.9035 57.6763 66.5477 174.7948 110 G 3.9453 10.0674 109.2920 45.3290 0.0000 171.7826 111 S 4.7373 7.8787 111.3288 57.4159 66.0293 173.5282 112 F 5.3846 8.6906 118.9314 55.8502 41.8357 175.2009 113 S 5.1242 9.1254 120.0845 57.6689 64.0985 173.4702 114 V 5.0040 9.1177 124.5007 61.2282 35.0875 173.6120 115 N 5.5435 9.2230 124.7433 51.6155 41.4319 173.6608 116 I 5.1337 9.6335 123.9177 59.5735 40.8438 174.8625 117 G 4.5769 9.2619 112.9485 44.3524 0.0000 171.4192 118 K 4.8807 8.6616 120.7790 55.5941 33.4329 176.5701 119 D 4.8255 9.0445 124.9749 52.4173 43.5701 175.9548 120 Q 4.1898 8.4430 118.6486 56.9326 29.2332 177.4400 121 S 4.1561 8.2930 114.5574 58.9815 62.5157 174.3291 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 A 8.26 4.64 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 2 W 9.67 4.94 0.00 3.40 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 3 K 7.69 4.51 0.00 1.55 1.29 0.00 1.78 0.00 0.00 1.58 0.00 0.00 2.70 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.06 1.25 7.81 4 G 7.66 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 5 E 8.57 5.22 0.00 1.92 1.90 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 2.29 2.23 0.00 6 V 8.85 4.54 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 1.12 0.00 0.00 1.17 0.00 0.00 7 L 8.48 4.40 0.00 1.62 1.71 0.93 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 8 A 8.46 3.19 0.34 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 9 N 7.93 5.03 0.00 3.00 3.10 0.00 0.00 5.91 8.04 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 10 N 7.83 4.61 0.00 2.77 2.92 0.00 0.00 6.84 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 E 8.18 2.54 0.00 1.30 1.64 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 1.94 1.47 0.00 12 A 7.74 3.89 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 13 G 7.98 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 14 Q 9.19 4.59 0.00 2.24 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.95 0.00 0.00 0.00 0.00 0.00 2.73 2.44 0.00 15 V 8.41 4.18 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 0.76 0.00 0.00 0.85 0.00 0.00 16 T 7.99 3.80 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 -0.02 0.00 0.00 17 S 8.10 4.29 0.00 4.10 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 18 I 7.48 4.10 1.82 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 1.21 1.00 0.98 0.00 0.00 19 I 8.25 4.64 1.87 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 1.23 0.81 0.97 0.00 0.00 20 Y 9.08 4.13 0.00 3.21 3.03 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 21 N 8.45 5.19 0.00 2.58 2.56 0.00 0.00 6.55 7.55 0.00 0.00 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 P 0.00 4.39 0.00 1.99 2.00 0.00 3.59 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.11 0.00 23 G 8.85 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 24 D 7.23 4.35 0.00 1.59 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 25 V 8.39 4.78 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 0.97 0.00 0.00 0.91 0.00 0.00 26 I 9.06 5.25 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.10 1.15 0.00 0.00 27 T 8.97 5.19 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 1.32 0.00 0.00 28 I 8.84 5.10 1.86 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.82 0.94 0.00 0.00 29 V 8.74 4.90 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.98 0.00 0.00 30 A 8.78 5.26 1.06 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 0.00 0.00 31 A 9.81 4.38 1.11 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 32 G 7.30 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 33 W 8.53 5.98 0.00 3.19 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 34 A 9.92 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 9.37 5.39 0.00 4.09 3.69 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 36 Y 8.42 5.33 0.00 3.24 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 37 G 7.61 4.77 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 0.00 0.00 0.00 0.00 0.00 0.00 38 P 0.00 4.39 0.00 2.28 2.11 0.00 2.82 0.00 0.00 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.99 0.00 39 T 8.34 3.90 4.17 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 1.17 0.00 0.00 40 Q 7.78 3.73 0.00 1.73 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.82 0.00 0.00 0.00 0.00 0.00 1.16 1.56 0.00 41 K 7.55 5.03 0.00 1.49 1.89 0.00 1.72 0.00 0.00 1.85 0.00 0.00 2.95 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.34 7.81 42 W 10.01 5.33 0.00 3.55 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 43 G 8.87 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 P 0.00 3.71 0.00 1.87 1.20 0.00 3.35 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.30 0.00 45 Q 7.94 4.34 0.00 2.14 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.81 0.00 0.00 0.00 0.00 0.00 2.32 2.30 0.00 46 G 8.32 3.77 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 0.00 0.00 0.00 0.00 0.00 0.00 47 D 8.05 4.50 0.00 1.58 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.09 2.00 0.00 1.45 1.56 0.00 3.09 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 49 E 8.26 4.19 0.00 2.12 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 2.26 2.20 0.00 50 H 7.48 4.40 0.00 2.94 2.91 0.00 5.95 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 51 P 0.00 4.31 0.00 2.14 1.96 0.00 3.35 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.85 0.00 52 D 8.36 4.44 0.00 2.69 2.61 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 53 Q 8.32 4.38 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.28 0.00 54 G 8.41 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 0.00 0.00 0.00 0.00 55 L 8.56 4.31 0.00 1.56 1.76 0.87 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 56 I 8.05 3.78 1.91 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 1.35 0.59 1.10 0.00 0.00 57 C 8.51 4.64 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 58 H 8.77 4.66 0.00 3.38 3.39 0.00 5.17 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 59 D 7.67 4.56 0.00 2.49 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 A 7.09 4.34 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 F 7.89 4.63 0.00 3.18 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 62 C 8.33 3.97 0.00 2.61 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 G 8.84 3.41 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 0.00 64 A 7.48 4.54 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 65 L 8.44 4.61 0.00 1.85 1.58 1.20 0.82 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 66 V 8.77 5.17 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 0.61 0.00 0.00 0.95 0.00 0.00 67 M 8.87 5.27 0.00 1.91 2.05 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.40 0.00 68 K 8.95 4.84 0.00 1.65 1.67 0.00 1.59 0.00 0.00 1.63 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.31 1.35 7.81 69 I 8.81 4.52 1.87 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.17 1.06 0.00 0.00 70 G 8.74 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 71 N 8.68 4.80 0.00 2.67 2.80 0.00 0.00 6.85 7.63 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 72 S 7.67 4.36 0.00 4.06 4.02 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 73 G 8.18 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 74 T 8.12 4.41 4.21 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 1.22 0.00 0.00 75 I 8.50 4.81 1.83 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 1.26 0.85 0.79 0.00 0.00 76 P 0.00 4.31 0.00 1.81 1.85 0.00 3.57 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.96 0.00 77 V 8.45 3.87 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 0.90 0.00 0.00 0.68 0.00 0.00 78 N 7.82 4.26 0.00 2.78 2.29 0.00 0.00 7.13 8.34 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 79 T 8.38 3.77 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 1.16 0.00 0.00 80 G 5.80 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 0.00 0.00 0.00 0.00 81 L 8.10 4.60 0.00 1.53 1.40 -0.41 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 82 F 8.99 4.79 0.00 2.96 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 83 R 7.95 3.82 0.00 1.67 1.75 0.00 2.77 0.00 0.00 2.78 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.50 0.00 84 W 9.01 4.73 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 85 V 7.45 4.62 1.85 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 0.76 0.00 0.00 0.92 0.00 0.00 86 A 7.49 2.96 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 *89 N 8.62 4.59 0.00 2.73 2.90 0.00 0.00 6.66 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 90 V 7.48 4.48 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.87 0.00 0.00 91 Q 8.28 4.78 0.00 2.34 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.14 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 G 8.63 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 93 A 8.53 4.53 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 94 I 8.73 4.51 1.73 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.63 0.78 0.00 0.00 95 T 8.52 4.80 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 1.16 0.00 0.00 96 L 8.82 4.93 0.00 1.55 1.63 0.92 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 97 I 8.61 5.02 1.93 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 1.11 0.84 1.00 0.00 0.00 98 Y 8.87 4.59 0.00 3.16 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 99 N 8.69 4.78 0.00 2.84 2.58 0.00 0.00 6.32 8.32 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 0.00 100 D 8.23 4.54 0.00 2.25 1.54 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 0.00 101 V 7.70 4.39 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 1.00 0.00 0.00 0.89 0.00 0.00 102 P 0.00 4.76 0.00 2.13 2.07 0.00 3.89 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.21 0.00 103 G 9.53 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 0.00 104 T 7.74 4.58 4.28 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 1.33 0.00 0.00 105 Y 8.21 4.28 0.00 3.08 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 0.00 106 G 8.34 3.73 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 0.00 0.00 0.00 107 N 8.12 4.80 0.00 2.88 3.05 0.00 0.00 6.25 6.96 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 0.00 108 N 7.86 4.99 0.00 2.94 2.62 0.00 0.00 6.51 7.69 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 0.00 109 S 8.59 4.66 0.00 3.89 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 0.00 110 G 10.07 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 S 7.88 4.74 0.00 3.87 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 0.00 112 F 8.69 5.38 0.00 3.08 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 0.00 113 S 9.13 5.12 0.00 3.80 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 9.12 5.00 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 1.27 0.00 0.00 1.11 0.00 0.00 115 N 9.22 5.54 0.00 2.77 2.72 0.00 0.00 6.50 7.72 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 0.00 116 I 9.63 5.13 2.05 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 1.30 1.03 0.00 0.00 117 G 9.26 4.58 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 0.00 118 K 8.66 4.88 0.00 1.66 1.75 0.00 1.73 0.00 0.00 1.66 0.00 0.00 2.77 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.50 7.81 119 D 9.04 4.83 0.00 2.61 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.44 4.19 0.00 2.02 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.77 0.00 0.00 0.00 0.00 0.00 2.36 2.35 0.00 121 S 8.29 4.16 0.00 3.90 3.74 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 * Residues marked with a * may have inaccurate shift predictions.