NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.7632 8.4449 120.2063 56.4340 31.2643 174.6515 5 S 4.8068 8.8800 118.4445 54.1627 66.8041 171.2566 6 P 4.9558 0.0000 0.0000 62.6063 33.2215 174.6869 7 L 5.2786 8.4161 121.6811 54.5800 44.3148 175.1286 8 H 4.9546 8.9318 116.9545 54.9506 33.4113 172.9700 9 G 4.0924 8.0733 110.8313 45.8736 0.0000 171.1570 10 T 5.1594 8.5337 108.6597 60.3354 72.3502 172.5556 11 Q 5.3521 9.3047 125.3191 54.1716 31.8114 174.3686 12 N 4.6411 9.2103 125.9326 54.0102 39.4312 174.6305 13 T 4.5480 8.3216 113.5947 61.1812 69.7848 174.2879 14 I 3.7522 7.9942 124.2848 62.6516 37.8004 177.2527 15 N 4.0970 8.1468 122.1665 54.2255 36.6616 173.4960 16 K 3.8718 7.2013 110.8347 58.6449 31.8608 175.4142 17 R 4.6180 7.6482 116.1279 54.5758 32.3909 177.7243 18 T 4.1386 8.6238 116.9455 64.6723 67.8035 173.9126 19 Q 4.8652 7.3976 118.5592 51.8626 28.4209 173.5387 20 P 4.5897 0.0000 0.0000 62.6894 33.4141 177.1531 21 T 4.7900 8.4397 111.8929 61.8929 71.0973 172.7106 22 F 5.3904 8.4310 116.3894 56.7098 41.9242 172.8150 23 G 4.7699 9.4369 105.0045 45.3037 0.0000 172.0594 24 F 5.6151 9.0887 116.2896 55.7104 42.3529 172.9968 25 T 5.0181 8.9319 115.9664 61.8382 71.3674 173.3589 26 V 4.1720 8.7693 127.1094 61.4992 33.1309 174.3302 27 N 4.7795 8.3484 128.0706 51.3927 38.3196 173.9985 28 W 4.1353 7.6728 122.4390 56.7902 29.5610 176.7816 29 K 4.4439 8.7545 121.9635 56.4008 31.8404 176.9948 30 F 4.9888 7.2164 111.7387 56.0823 39.1754 174.2832 31 S 4.7210 7.4060 114.5255 56.8002 65.4254 172.7549 32 E 4.3845 8.6883 120.6281 56.3081 28.7739 176.1421 33 S 4.8013 8.2007 116.4997 58.2316 65.7059 172.8710 34 T 5.0022 8.8621 115.1348 62.2576 72.8373 173.5237 35 T 5.1905 8.4762 121.4086 61.8880 72.1448 173.4328 36 V 4.9348 8.5922 118.0964 59.5866 35.1065 174.6334 37 F 5.2548 8.9405 122.8568 55.9816 42.1238 174.3402 38 T 4.6206 8.9594 116.7292 60.3839 71.1151 173.4079 39 G 3.9251 7.0586 113.9384 45.8896 0.0000 171.6745 40 Q 4.8922 8.1990 121.9356 54.6446 33.0492 174.1931 41 C 4.9179 8.8566 125.6469 55.7026 45.9672 172.2223 42 F 5.2523 9.4678 126.0176 55.9690 41.3905 174.8944 43 I 5.2272 9.1556 122.0064 59.7060 40.4363 174.8238 44 D 4.5424 9.3181 124.8575 54.4078 44.4241 174.4083 *48 K 4.1318 7.8740 119.6194 57.1793 33.7591 173.7809 49 E 5.3652 8.7739 126.4030 55.1236 32.0942 175.3517 50 V 5.2335 9.0853 116.3325 59.8358 36.6331 174.2773 51 L 5.1337 8.9197 124.6425 53.3704 43.5862 175.5604 52 K 5.0512 9.1217 124.7844 55.1446 33.9049 175.8223 53 T 5.2375 8.9235 114.8396 60.1665 72.6362 172.7996 54 M 5.2747 9.0168 121.9875 53.3501 36.0158 174.7999 55 W 5.4231 8.4256 117.4625 54.6998 32.4959 173.8130 56 L 5.2403 8.7712 120.7596 53.0256 44.3566 175.1434 57 L 4.9673 9.2511 126.9165 53.5403 44.0884 174.8369 58 R 4.9700 9.3658 128.2960 54.9930 31.5448 175.5464 59 S 4.8460 9.0877 123.3470 57.7236 64.2775 174.0327 60 S 4.3738 8.5111 117.3321 57.7908 63.0085 173.8691 61 V 4.5036 8.0090 119.9004 59.6317 34.2314 175.5586 62 N 4.5796 8.5591 118.8258 54.8748 39.2464 175.1801 63 D 4.8490 7.5860 116.5096 51.2325 44.5162 175.8553 64 I 3.9063 8.4452 124.2965 63.7849 37.7366 178.3730 65 G 3.7873 9.8759 106.4978 47.0954 0.0000 174.3041 66 D 4.7151 7.8706 119.1647 54.2781 41.3081 177.6459 67 D 4.3407 7.9121 120.3155 56.9436 40.9016 178.0768 68 W 4.3080 8.2816 115.7109 58.4744 28.2154 176.6461 69 K 3.9241 6.6770 115.7764 56.1945 31.9726 176.6507 70 A 4.2501 7.5624 121.8317 53.1733 19.2669 177.3662 71 T 5.0789 7.5681 112.2339 61.7295 71.3131 173.8286 72 R 4.8555 8.9553 125.7130 54.6189 33.0573 175.7257 73 V 4.3412 7.7285 119.4275 60.3938 34.8930 175.2145 74 G 3.2693 5.8331 106.4573 45.8132 0.0000 171.8978 75 I 5.0117 8.0502 112.6176 59.5760 41.0731 174.8890 76 M 4.7814 9.0782 121.5367 54.7605 35.9685 173.0822 77 I 5.0634 8.3966 126.8832 59.8149 39.3561 174.9340 78 F 5.4677 9.3611 125.4580 56.0513 42.1803 174.5934 79 T 5.3630 9.1534 111.1437 59.9625 72.7161 174.9532 80 R 3.8510 8.2845 119.8465 55.8423 30.6139 176.0253 *96 C 5.2971 8.7812 118.0446 57.4564 44.1708 173.9443 97 S 4.9734 8.6673 121.0094 56.2728 65.1281 174.3382 98 L 4.0280 7.6173 122.6608 57.5028 41.5960 178.3882 99 T 3.8503 7.6604 115.1446 64.4771 69.1445 172.1893 100 G 3.6043 8.1735 111.3881 43.8984 0.0000 171.7628 101 K 4.9034 8.0186 118.7383 54.4921 34.1468 176.1786 102 W 5.1963 9.2761 123.7887 55.2316 33.3613 174.1986 103 T 5.4290 9.3358 116.9984 60.6693 71.4605 171.6155 104 N 5.4466 8.8589 120.7332 51.6262 41.3746 174.4407 105 D 4.6727 8.5747 116.0444 54.4869 40.8214 177.5988 106 L 4.1981 9.7346 120.1044 55.3022 41.9483 177.9838 107 G 3.9822 8.0231 107.1349 45.1049 0.0000 173.8036 108 S 4.6411 7.7986 115.8530 58.3351 64.4545 172.8776 109 N 5.5418 8.9943 120.2516 51.8067 42.3022 173.2166 110 M 5.0044 9.2063 120.9977 54.1695 36.5195 173.6703 111 T 5.0489 8.8663 121.1518 61.7814 71.8815 172.9801 112 I 4.6455 8.7155 127.1382 59.5779 40.4430 176.2402 113 G 4.1922 8.6498 113.9823 44.8376 0.0000 172.9095 114 A 4.1281 8.5612 122.3204 52.5840 18.7764 177.6521 115 V 4.2967 7.5668 116.2480 60.0947 32.8117 176.4294 116 N 4.5699 8.7785 122.4383 53.2374 39.1005 176.3386 117 S 4.2081 8.5325 115.4835 61.8118 62.9827 176.4006 118 R 4.0196 7.8846 117.6417 57.3999 30.3729 177.3277 119 G 4.2029 7.9746 105.3512 45.8286 0.0000 172.7927 120 E 4.7452 8.0685 120.0396 56.0059 30.8329 175.7781 121 F 5.3105 8.5500 117.8110 55.5646 42.0166 173.5087 122 T 4.9370 8.1716 115.3874 62.4353 72.7548 173.4088 123 G 4.1154 7.8791 107.4403 46.4415 0.0000 172.2147 124 T 5.2446 8.3992 109.6066 59.9995 72.5723 172.4212 125 Y 4.8822 9.3541 124.6448 55.8530 42.2107 173.9846 126 I 5.0541 8.8114 127.1911 59.8963 40.1321 174.2202 127 T 5.0736 9.1309 121.8908 60.8660 68.1927 174.3823 128 A 4.3804 9.1637 131.1831 52.9570 19.3870 177.5613 129 V 4.5492 7.3291 107.8192 59.4855 35.0980 175.9059 130 T 4.0683 8.1427 111.6302 61.9181 68.7701 173.6618 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 4 E 8.44 4.76 0.00 1.94 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 2.27 2.42 0.00 5 S 8.88 4.81 0.00 3.70 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 6 P 0.00 4.96 0.00 2.09 2.15 0.00 3.76 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.96 0.00 7 L 8.42 5.28 0.00 1.82 1.66 0.68 0.39 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 H 8.93 4.95 0.00 3.07 3.10 0.00 5.81 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 9 G 8.07 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 10 T 8.53 5.16 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 1.14 0.00 0.00 11 Q 9.30 5.35 0.00 2.34 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.04 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 12 N 9.21 4.64 0.00 2.76 2.75 0.00 0.00 7.03 8.49 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 13 T 8.32 4.55 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 1.36 0.00 0.00 14 I 7.99 3.75 2.01 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 1.41 0.82 0.92 0.00 0.00 15 N 8.15 4.10 0.00 2.87 2.87 0.00 0.00 7.08 7.61 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 16 K 7.20 3.87 0.00 1.77 1.71 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.48 7.81 17 R 7.65 4.62 0.00 1.86 1.82 0.00 3.12 0.00 0.00 3.26 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.59 0.00 18 T 8.62 4.14 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 1.24 0.00 0.00 19 Q 7.40 4.87 0.00 1.87 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.68 0.00 0.00 0.00 0.00 0.00 2.30 2.13 0.00 20 P 0.00 4.59 0.00 2.19 2.20 0.00 3.75 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.98 0.00 21 T 8.44 4.79 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 1.16 0.00 0.00 22 F 8.43 5.39 0.00 3.57 3.27 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 0.00 0.00 0.00 0.00 23 G 9.44 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 24 F 9.09 5.62 0.00 3.20 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 25 T 8.93 5.02 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 1.18 0.00 0.00 26 V 8.77 4.17 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 -0.53 0.00 0.00 0.71 0.00 0.00 27 N 8.35 4.78 0.00 2.68 2.65 0.00 0.00 7.29 7.49 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 28 W 7.67 4.14 0.00 2.98 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 0.00 0.00 0.00 0.00 29 K 8.75 4.44 0.00 1.84 1.92 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.03 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.59 1.55 7.81 30 F 7.22 4.99 0.00 3.05 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 31 S 7.41 4.72 0.00 3.82 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.69 4.38 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 2.23 2.28 0.00 33 S 8.20 4.80 0.00 4.05 4.06 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 34 T 8.86 5.00 4.27 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 0.00 0.00 0.00 1.24 0.00 0.00 35 T 8.48 5.19 4.47 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 0.78 0.00 0.00 36 V 8.59 4.93 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 0.73 0.00 0.00 0.96 0.00 0.00 37 F 8.94 5.25 0.00 1.52 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 38 T 8.96 4.62 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 1.12 0.00 0.00 39 G 7.06 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 40 Q 8.20 4.89 0.00 1.92 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.12 6.79 0.00 0.00 0.00 0.00 0.00 1.28 2.15 0.00 41 C 8.86 4.92 0.00 3.22 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 42 F 9.47 5.25 0.00 3.04 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 43 I 9.16 5.23 1.97 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 1.17 1.08 1.00 0.00 0.00 44 D 9.32 4.54 0.00 2.65 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.87 4.13 0.00 1.95 1.85 0.00 1.79 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.47 1.52 7.81 49 E 8.77 5.37 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.38 0.00 50 V 9.09 5.23 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 0.86 0.00 0.00 1.12 0.00 0.00 51 L 8.92 5.13 0.00 1.76 1.78 -0.54 -0.07 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 52 K 9.12 5.05 0.00 2.07 1.87 0.00 1.48 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.53 1.65 7.81 53 T 8.92 5.24 4.63 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 1.72 0.00 0.00 54 M 9.02 5.27 0.00 1.76 1.88 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.34 0.00 55 W 8.43 5.42 0.00 2.64 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 0.00 0.00 0.00 56 L 8.77 5.24 0.00 1.59 1.61 0.90 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.25 4.97 0.00 1.70 1.79 0.88 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 58 R 9.37 4.97 0.00 1.95 1.97 0.00 3.34 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 59 S 9.09 4.85 0.00 3.69 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 60 S 8.51 4.37 0.00 3.82 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 61 V 8.01 4.50 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 0.75 0.00 0.00 0.95 0.00 0.00 62 N 8.56 4.58 0.00 2.70 2.87 0.00 0.00 6.64 8.06 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 63 D 7.59 4.85 0.00 2.62 2.45 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 0.00 0.00 0.00 0.00 64 I 8.45 3.91 1.89 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 1.60 1.21 0.93 0.00 0.00 65 G 9.88 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 0.00 0.00 0.00 66 D 7.87 4.72 0.00 2.82 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 67 D 7.91 4.34 0.00 2.80 2.79 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 68 W 8.28 4.31 0.00 3.57 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 69 K 6.68 3.92 0.00 1.07 0.74 0.00 1.18 0.00 0.00 0.91 0.00 0.00 2.73 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 0.75 7.81 70 A 7.56 4.25 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 71 T 7.57 5.08 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 72 R 8.96 4.86 0.00 2.00 1.98 0.00 3.10 0.00 0.00 3.32 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 73 V 7.73 4.34 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 0.56 0.00 0.00 0.61 0.00 0.00 74 G 5.83 3.27 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 I 8.05 5.01 1.89 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.67 0.81 0.00 0.00 76 M 9.08 4.78 0.00 2.51 2.34 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.26 0.00 77 I 8.40 5.06 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.79 1.08 0.00 0.00 78 F 9.36 5.47 0.00 2.75 3.11 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 79 T 9.15 5.36 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 1.37 0.00 0.00 80 R 8.28 3.85 0.00 1.69 1.72 0.00 2.82 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 1.31 0.00 *96 C 8.78 5.30 0.00 3.02 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 97 S 8.67 4.97 0.00 3.94 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 98 L 7.62 4.03 0.00 1.29 0.99 0.38 -0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 99 T 7.66 3.85 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 1.18 0.00 0.00 100 G 8.17 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 0.00 101 K 8.02 4.90 0.00 1.45 1.60 0.00 1.60 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.26 1.31 7.81 102 W 9.28 5.20 0.00 3.03 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 0.00 103 T 9.34 5.43 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 104 N 8.86 5.45 0.00 2.84 2.53 0.00 0.00 7.34 8.18 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 0.00 105 D 8.57 4.67 0.00 2.70 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 0.00 106 L 9.73 4.20 0.00 1.87 1.76 0.97 0.98 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 0.00 107 G 8.02 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 0.00 108 S 7.80 4.64 0.00 3.95 4.04 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 0.00 109 N 8.99 5.54 0.00 2.59 2.63 0.00 0.00 6.32 7.48 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 0.00 110 M 9.21 5.00 0.00 1.49 1.42 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 111 T 8.87 5.05 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 1.14 0.00 0.00 112 I 8.72 4.65 1.91 0.00 0.00 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.62 0.44 0.00 0.00 113 G 8.65 4.19 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 0.00 114 A 8.56 4.13 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 0.00 115 V 7.57 4.30 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 116 N 8.78 4.57 0.00 3.00 2.86 0.00 0.00 6.63 6.60 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 0.00 117 S 8.53 4.21 0.00 3.87 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 0.00 118 R 7.88 4.02 0.00 1.81 2.00 0.00 3.17 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 119 G 7.97 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 0.00 0.00 0.00 120 E 8.07 4.75 0.00 1.94 1.82 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 2.37 2.31 0.00 121 F 8.55 5.31 0.00 3.01 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 0.00 122 T 8.17 4.94 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 123 G 7.88 4.12 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 T 8.40 5.24 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 1.19 0.00 0.00 125 Y 9.35 4.88 0.00 2.92 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 0.00 126 I 8.81 5.05 1.90 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 1.21 0.62 0.99 0.00 0.00 127 T 9.13 5.07 4.67 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 1.36 0.00 0.00 128 A 9.16 4.38 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 129 V 7.33 4.55 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 0.77 0.00 0.00 0.93 0.00 0.00 130 T 8.14 4.07 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 0.93 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.