NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4807 8.3049 120.3260 54.7798 33.5196 175.0662 2 D 4.3214 8.7967 119.9196 56.6286 40.8133 175.4960 3 K 4.6626 7.8686 115.4369 54.2917 37.0362 175.3650 4 V 4.0838 7.9777 121.1836 61.5365 33.6600 174.1319 5 Y 4.6049 8.4031 126.0351 55.6279 37.9560 174.4727 6 L 4.2016 7.6763 123.4769 54.5896 42.5448 177.1797 7 T 4.3337 9.0844 113.8314 60.3552 70.5201 175.6926 8 W 4.5324 8.9330 122.6257 60.1282 29.0367 178.4964 9 W 4.3586 8.6377 127.4976 60.7109 30.2563 177.8532 10 Q 3.7149 8.2535 117.5107 58.8073 28.1320 178.8820 11 V 3.8682 8.0764 119.2323 66.4020 31.6738 177.7883 12 D 4.4821 8.6817 118.9537 57.5750 40.6513 179.0999 13 R 4.0023 7.9896 118.2973 58.6965 29.9426 178.9829 14 A 3.8275 7.8507 120.8510 55.1021 18.3187 179.5935 15 I 3.6061 8.1351 118.7773 64.7405 37.2883 178.7135 16 F 4.1705 8.3027 118.2337 60.4192 38.3426 177.6837 17 A 4.0137 8.1003 120.5171 55.0277 18.1523 179.6604 18 L 3.8379 8.5033 117.6137 57.8709 41.5834 179.4423 19 A 3.9237 8.1685 120.9070 55.2908 18.0498 179.1896 20 E 3.8888 7.8764 116.3046 59.4600 29.6582 178.9636 21 K 4.1372 7.7140 118.0741 59.2170 32.2901 179.2036 22 L 3.8120 8.0438 118.9534 56.8140 41.3958 179.5963 23 R 3.9394 7.6842 119.0608 59.1848 29.7820 178.4490 24 E 4.0423 7.7988 117.7291 58.8380 29.6930 177.4094 25 Y 4.4564 7.7783 117.2339 56.9362 40.4165 175.2880 26 K 3.7303 7.5736 114.6001 57.2234 29.7073 172.2614 27 P 4.2051 0.0000 0.0000 62.6275 32.4537 176.2908 28 D 4.6970 8.7369 121.7514 55.7140 42.3046 177.1980 29 V 4.5738 7.5669 116.1227 61.1585 35.7541 174.0163 30 I 5.0678 8.4161 125.7587 59.6267 40.5385 174.3489 31 I 4.7572 8.8103 128.6360 59.5658 39.3378 175.0345 32 G 4.1364 8.8282 116.1671 44.7162 0.0000 172.7629 33 V 4.2201 8.8121 127.7609 62.6348 32.2505 175.2155 34 A 4.5217 8.8424 131.0859 51.7735 18.9557 177.4458 35 R 4.1283 8.6827 118.7550 57.8438 31.0928 179.2554 36 G 3.9560 7.7181 105.6835 47.5779 0.0000 174.4825 37 G 3.6611 8.7037 108.2044 46.7265 0.0000 175.5265 38 L 3.8204 7.5903 121.1375 57.8161 41.3993 179.0392 39 I 3.5157 7.1405 118.6984 64.2378 37.0292 176.5817 40 P 4.2043 0.0000 0.0000 65.2894 31.1763 178.4342 41 A 3.8935 8.0460 119.8744 55.1515 18.4470 179.4351 42 V 3.4645 7.9949 117.1141 66.5435 31.4172 178.4908 43 R 3.8656 7.6623 117.2393 59.3169 29.9684 179.1347 44 L 3.9434 8.0835 118.8534 57.5362 41.3615 179.5870 45 S 3.9985 8.5043 113.5688 61.7314 62.3981 175.7619 46 H 4.2625 8.0865 120.5527 59.3877 29.4232 177.3067 47 I 3.7751 7.9566 120.9506 63.8505 36.9871 177.4423 48 L 4.4594 7.5945 117.1459 53.9505 41.8978 176.2409 49 G 3.9087 8.5809 108.9023 46.4154 0.0000 173.7293 50 D 4.3722 7.6306 116.4246 54.6397 39.1462 174.5688 51 I 4.0469 7.6218 110.5212 59.2921 39.2560 173.4948 52 P 4.1922 0.0000 0.0000 63.1965 32.1584 174.3820 53 L 5.0575 8.4684 123.5962 53.5069 44.1186 175.4417 54 K 4.6807 9.0261 126.3818 54.8772 34.8269 175.7183 55 V 4.7962 8.2305 121.7573 61.1669 34.3279 174.4609 56 I 5.4126 8.3118 126.1763 58.2634 42.1095 173.7268 57 D 4.8405 8.5211 126.4735 52.8935 44.2262 173.9826 58 V 4.3614 8.5131 126.9059 61.2431 33.0682 174.6353 59 K 4.4782 8.2451 127.8029 54.7783 34.2055 175.5997 60 F 4.5773 8.7642 123.6464 56.2890 40.2740 174.7141 61 Y 5.1794 8.2512 121.9749 56.1753 40.6191 175.3848 62 K 4.7431 8.7971 123.5892 54.9568 34.6933 176.8143 *68 G 3.9585 8.0753 110.0704 45.5744 0.0000 171.5578 69 E 5.0150 8.4524 119.9141 55.0987 33.9396 174.5479 70 K 4.7503 8.3691 117.9625 54.5542 36.9291 174.2461 71 P 3.8419 0.0000 0.0000 62.7333 32.7490 176.5847 72 V 4.0273 8.1749 120.8155 61.2648 32.8489 173.8970 73 I 3.9478 8.1593 129.0245 61.4860 35.0872 176.5793 74 T 4.0435 8.4602 123.5441 66.0667 69.4926 174.2001 75 I 4.5970 7.4946 118.8931 58.7663 39.8655 173.4072 76 P 4.7505 0.0000 0.0000 62.2115 32.5698 176.0921 77 I 4.0845 8.1846 121.8130 61.5494 37.7272 175.4693 78 H 4.5020 8.9565 123.7556 55.5942 30.1558 176.1883 79 G 3.8820 8.6683 110.9385 44.8040 0.0000 171.8924 80 D 5.0365 8.2562 116.5170 51.6724 42.0236 175.5744 81 L 4.6342 8.0911 119.0875 54.3056 42.1204 176.4733 82 K 4.4382 7.4106 116.3783 57.7764 32.2983 175.7722 83 D 4.3605 8.7768 119.5094 54.7702 40.3768 172.5403 84 K 4.7938 7.9736 116.9575 54.7537 34.7824 175.7705 85 R 4.3609 8.7246 123.9844 55.9999 30.8592 175.8895 86 V 4.7701 8.9971 125.2277 61.4765 34.3038 174.9648 87 V 4.8316 8.5485 124.8469 61.3594 34.6036 174.1701 88 I 4.6327 8.6262 129.6917 60.3459 38.9125 175.0653 89 V 5.3784 8.8429 126.8300 60.3693 34.1476 173.8274 90 D 5.0849 8.4746 125.8820 52.6174 45.1679 175.5778 91 D 4.4173 8.8015 122.6210 55.9639 40.2314 176.3095 92 V 4.9196 7.5301 116.9516 59.6048 34.9527 175.0356 93 S 4.1043 8.6234 118.4005 57.7038 61.7436 173.4119 94 D 4.6123 8.6544 125.6817 55.6704 41.9353 178.4066 95 T 3.9533 8.0548 108.2246 63.6964 70.1897 177.0808 96 G 4.1007 8.3159 109.2144 44.5603 0.0000 175.1028 97 K 4.0111 8.0235 120.2201 60.3982 32.4561 179.3176 98 T 4.3662 7.7707 116.3606 66.3591 68.5683 176.8103 99 L 4.1162 7.8669 120.5453 57.7474 41.6653 179.1767 100 E 4.0989 8.3436 118.7229 59.2661 29.1335 179.1087 101 V 3.8079 7.6787 115.8165 64.5527 31.5933 177.4355 102 V 3.8262 7.1704 116.3920 65.1251 31.9296 177.5446 103 I 3.7320 8.0627 119.3223 64.3464 37.1455 178.0217 104 E 4.0610 8.0383 119.0476 59.4766 28.9813 178.7986 105 E 3.8616 7.7406 118.9480 59.3981 28.0362 178.8954 106 V 3.5338 7.8269 117.5056 64.8833 31.6543 177.9566 107 K 4.3512 8.6205 118.8453 58.6570 31.7186 179.2203 108 K 3.8662 8.0023 117.7553 59.7051 32.0891 178.0709 109 L 4.0532 7.6371 115.8192 54.8323 41.5943 175.3597 110 G 3.9406 8.3584 111.7738 45.6988 0.0000 171.7607 111 A 4.9475 7.7895 125.5841 50.5241 20.5158 177.0534 112 K 4.0943 8.6238 123.4383 59.0810 32.4639 176.5824 113 E 4.9126 8.0927 119.4721 54.5022 33.7881 173.5555 114 I 5.1567 8.4029 124.2569 59.7067 40.7922 174.7835 115 K 4.7542 8.8060 125.6641 54.5575 36.2065 175.1905 116 I 4.9612 9.3600 124.7450 59.6319 39.7279 174.4509 117 A 5.3169 9.3445 128.6143 50.4993 21.4766 174.7444 118 C 5.9050 9.0780 119.6936 57.2558 32.2938 175.6613 119 L 4.1428 8.9414 121.3790 57.6379 42.5378 176.7899 120 A 5.9396 8.6136 119.3222 49.8563 22.8808 174.6139 121 M 4.9166 8.2541 117.1601 54.3432 35.9907 173.4370 122 K 4.6868 8.6315 125.3945 53.1247 33.7278 175.8486 123 P 4.0147 0.0000 0.0000 65.4069 30.9131 176.9080 124 W 4.6299 6.9989 112.7785 56.2620 28.6064 176.2338 125 T 4.5118 7.8711 114.0889 62.0886 67.1525 174.1934 126 S 4.3754 8.5561 121.3009 59.1870 63.6602 174.6242 127 V 4.0707 7.2690 120.3055 60.6186 31.3353 173.6692 128 V 3.6577 8.0196 124.9250 60.8522 31.2456 174.1953 129 P 4.4412 0.0000 0.0000 63.0815 31.5800 176.1621 130 D 4.3886 8.5265 119.3728 56.7865 41.5250 176.6723 131 Y 4.9594 7.7021 115.8031 56.4692 42.0829 173.9910 132 Y 5.8343 8.2124 120.0702 57.7844 40.5244 173.3420 133 V 3.9409 8.5477 116.7464 64.3919 33.5625 175.5171 134 F 4.9393 8.1698 119.8376 56.8191 40.7056 174.7993 135 R 5.0252 8.5459 121.7037 54.2964 32.5407 173.6681 136 T 4.6117 8.2748 119.5202 61.4932 70.9969 173.3031 137 E 4.0123 8.5428 121.1413 55.8259 31.3769 177.0371 138 K 4.2483 7.6686 118.1855 55.1876 32.9118 176.3665 139 W 4.1947 8.7074 130.5874 58.1256 31.5090 174.5750 140 I 4.2769 8.3763 128.7946 60.0314 37.9492 175.4920 141 V 4.2195 8.0914 127.5801 60.9885 33.1629 175.1152 142 F 3.6392 8.5934 127.0492 55.7507 39.7354 175.0603 143 P 3.6061 0.0000 0.0000 65.3329 30.7494 177.9003 144 W 4.5788 6.6752 111.7078 57.9163 28.5450 175.9007 145 E 4.6003 7.7206 119.4901 55.1491 30.3090 175.2457 146 E 4.4042 8.5239 121.4231 55.3047 30.5443 176.2725 147 F 4.3767 8.9537 124.8908 56.8575 39.3801 173.6040 148 P 4.3720 0.0000 0.0000 62.4319 31.7629 175.8341 149 V 4.3204 8.1545 121.3809 60.9506 33.5213 174.8213 150 I 4.0765 8.3153 128.3380 60.6482 37.6924 174.9540 151 E 4.7359 8.4584 123.7759 54.1452 32.7541 176.1801 152 K 4.1733 8.4244 117.8738 56.9456 32.2672 177.2729 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 M 8.30 4.48 0.00 2.05 2.31 0.00 0.00 0.00 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.56 0.00 2 D 8.80 4.32 0.00 2.66 2.67 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 3 K 7.87 4.66 0.00 0.79 0.96 0.00 0.89 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.78 0.96 7.81 4 V 7.98 4.08 1.76 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 0.59 0.00 0.00 0.79 0.00 0.00 5 Y 8.40 4.60 0.00 2.62 2.59 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 6 L 7.68 4.20 0.00 0.98 1.26 0.02 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 7 T 9.08 4.33 4.44 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 1.30 0.00 0.00 8 W 8.93 4.53 0.00 3.62 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 9 W 8.64 4.36 0.00 3.59 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 10 Q 8.25 3.71 0.00 2.35 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.58 0.00 0.00 0.00 0.00 0.00 2.62 2.75 0.00 11 V 8.08 3.87 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 1.06 0.00 0.00 12 D 8.68 4.48 0.00 2.97 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 13 R 7.99 4.00 0.00 1.46 1.67 0.00 3.22 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.50 0.00 14 A 7.85 3.83 1.27 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 15 I 8.14 3.61 1.94 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.89 0.73 0.00 0.00 16 F 8.30 4.17 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 17 A 8.10 4.01 1.34 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 18 L 8.50 3.84 0.00 1.76 1.64 0.93 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 19 A 8.17 3.92 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 20 E 7.88 3.89 0.00 2.25 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 2.33 2.41 0.00 21 K 7.71 4.14 0.00 1.72 1.82 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.62 1.65 7.81 22 L 8.04 3.81 0.00 1.64 1.63 0.81 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 23 R 7.68 3.94 0.00 1.90 1.98 0.00 3.29 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.78 0.00 24 E 7.80 4.04 0.00 2.00 2.07 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 0.00 2.37 2.51 0.00 25 Y 7.78 4.46 0.00 3.01 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 26 K 7.57 3.73 0.00 1.74 1.66 0.00 1.71 0.00 0.00 1.66 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.36 1.43 7.81 27 P 0.00 4.21 0.00 2.06 2.10 0.00 3.65 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.48 0.00 28 D 8.74 4.70 0.00 2.64 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 29 V 7.57 4.57 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 1.01 0.00 0.00 0.93 0.00 0.00 30 I 8.42 5.07 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 1.25 0.71 0.90 0.00 0.00 31 I 8.81 4.76 1.88 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 1.17 0.76 0.91 0.00 0.00 32 G 8.83 4.14 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 0.00 0.00 0.00 33 V 8.81 4.22 2.23 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 0.91 0.00 0.00 0.96 0.00 0.00 34 A 8.84 4.52 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 35 R 8.68 4.13 0.00 1.90 1.93 0.00 3.20 0.00 0.00 3.38 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 36 G 7.72 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 0.00 0.00 0.00 37 G 8.70 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 38 L 7.59 3.82 0.00 1.57 1.57 0.85 0.89 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 39 I 7.14 3.52 0.99 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.85 1.01 0.00 0.00 40 P 0.00 4.20 0.00 2.18 2.11 0.00 3.35 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.16 0.00 41 A 8.05 3.89 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 42 V 7.99 3.46 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 0.98 0.00 0.00 0.91 0.00 0.00 43 R 7.66 3.87 0.00 1.75 1.80 0.00 3.17 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 44 L 8.08 3.94 0.00 1.86 1.68 0.89 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 45 S 8.50 4.00 0.00 3.88 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 46 H 8.09 4.26 0.00 3.32 3.27 0.00 5.84 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 47 I 7.96 3.78 1.86 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.70 0.95 0.00 0.00 48 L 7.59 4.46 0.00 1.69 1.68 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 49 G 8.58 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 0.00 0.00 0.00 50 D 7.63 4.37 0.00 2.70 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 51 I 7.62 4.05 1.85 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 1.45 0.52 0.89 0.00 0.00 52 P 0.00 4.19 0.00 2.12 2.26 0.00 3.66 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 1.98 0.00 53 L 8.47 5.06 0.00 1.59 1.55 0.98 0.56 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 54 K 9.03 4.68 0.00 1.69 1.69 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.82 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.38 1.51 7.81 55 V 8.23 4.80 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 0.76 0.00 0.00 0.90 0.00 0.00 56 I 8.31 5.41 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 1.08 1.21 0.91 0.00 0.00 57 D 8.52 4.84 0.00 2.72 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 58 V 8.51 4.36 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 0.90 0.00 0.00 59 K 8.25 4.48 0.00 1.31 0.90 0.00 1.74 0.00 0.00 1.61 0.00 0.00 2.89 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.50 7.81 60 F 8.76 4.58 0.00 2.78 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 61 Y 8.25 5.18 0.00 2.87 2.75 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 62 K 8.80 4.74 0.00 1.78 1.75 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.61 7.81 *68 G 8.08 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 0.00 0.00 0.00 69 E 8.45 5.02 0.00 2.00 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 2.27 2.35 0.00 70 K 8.37 4.75 0.00 1.67 1.60 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.37 1.40 7.81 71 P 0.00 3.84 0.00 1.58 0.91 0.00 3.59 0.00 0.00 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 72 V 8.17 4.03 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 0.99 0.00 0.00 0.94 0.00 0.00 73 I 8.16 3.95 1.82 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.58 0.88 0.00 0.00 74 T 8.46 4.04 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 1.23 0.00 0.00 75 I 7.49 4.60 1.87 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 1.29 0.66 0.96 0.00 0.00 76 P 0.00 4.75 0.00 2.06 2.04 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.00 0.00 77 I 8.18 4.08 1.87 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 1.35 0.54 0.92 0.00 0.00 78 H 8.96 4.50 0.00 3.09 3.24 0.00 5.93 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 G 8.67 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.26 5.04 0.00 2.75 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 81 L 8.09 4.63 0.00 1.67 1.68 0.93 1.59 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 82 K 7.41 4.44 0.00 1.90 1.79 0.00 1.83 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.54 7.81 83 D 8.78 4.36 0.00 2.77 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 84 K 7.97 4.79 0.00 1.93 1.67 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.90 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.35 1.61 7.81 85 R 8.72 4.36 0.00 1.55 1.42 0.00 2.58 0.00 0.00 2.94 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.45 0.00 86 V 9.00 4.77 2.15 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 0.96 0.00 0.00 1.03 0.00 0.00 87 V 8.55 4.83 2.17 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 1.03 0.00 0.00 1.25 0.00 0.00 88 I 8.63 4.63 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 1.13 0.42 0.92 0.00 0.00 89 V 8.84 5.38 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 1.08 0.00 0.00 0.93 0.00 0.00 90 D 8.47 5.08 0.00 2.77 2.41 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 91 D 8.80 4.42 0.00 1.58 2.93 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 92 V 7.53 4.92 2.44 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 0.85 0.00 0.00 0.99 0.00 0.00 93 S 8.62 4.10 0.00 3.92 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 94 D 8.65 4.61 0.00 2.79 2.47 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 95 T 8.05 3.95 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 96 G 8.32 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 0.00 0.00 0.00 97 K 8.02 4.01 0.00 1.97 1.98 0.00 0.73 0.00 0.00 1.29 0.00 0.00 2.13 0.00 0.00 2.39 0.00 0.00 0.00 0.00 1.10 0.71 7.81 98 T 7.77 4.37 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 1.32 0.00 0.00 99 L 7.87 4.12 0.00 1.70 1.72 0.92 0.99 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 0.00 100 E 8.34 4.10 0.00 2.16 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 2.34 2.33 0.00 101 V 7.68 3.81 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 0.92 0.00 0.00 1.02 0.00 0.00 102 V 7.17 3.83 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 1.01 0.00 0.00 1.01 0.00 0.00 103 I 8.06 3.73 1.88 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 1.53 0.92 0.92 0.00 0.00 104 E 8.04 4.06 0.00 1.99 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 2.33 2.52 0.00 105 E 7.74 3.86 0.00 2.27 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 2.30 2.38 0.00 106 V 7.83 3.53 2.29 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 1.00 0.00 0.00 1.03 0.00 0.00 107 K 8.62 4.35 0.00 1.97 1.84 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.71 7.81 108 K 8.00 3.87 0.00 1.92 1.87 0.00 1.90 0.00 0.00 1.69 0.00 0.00 2.97 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.62 7.81 109 L 7.64 4.05 0.00 1.54 1.69 0.99 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 110 G 8.36 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 0.00 111 A 7.79 4.95 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 0.00 112 K 8.62 4.09 0.00 1.79 1.91 0.00 1.98 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.40 7.81 113 E 8.09 4.91 0.00 2.11 1.93 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 2.43 2.41 0.00 114 I 8.40 5.16 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 1.39 0.82 0.93 0.00 0.00 115 K 8.81 4.75 0.00 1.15 1.46 0.00 0.61 0.00 0.00 1.32 0.00 0.00 2.70 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.13 1.02 7.81 116 I 9.36 4.96 1.86 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 1.17 0.66 0.93 0.00 0.00 117 A 9.34 5.32 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 0.00 118 C 9.08 5.90 0.00 2.89 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 119 L 8.94 4.14 0.00 2.17 2.17 1.36 1.06 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 0.00 120 A 8.61 5.94 1.51 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 0.00 121 M 8.25 4.92 0.00 1.05 1.26 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.16 0.00 122 K 8.63 4.69 0.00 1.34 0.74 0.00 2.25 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.28 1.10 7.81 123 P 0.00 4.01 0.00 2.04 2.05 0.00 2.82 0.00 0.00 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.63 0.00 124 W 7.00 4.63 0.00 3.30 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 0.00 125 T 7.87 4.51 4.48 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 1.18 0.00 0.00 126 S 8.56 4.38 0.00 4.04 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 0.00 127 V 7.27 4.07 2.07 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 0.77 0.00 0.00 0.97 0.00 0.00 128 V 8.02 3.66 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 0.83 0.00 0.00 0.87 0.00 0.00 129 P 0.00 4.44 0.00 2.48 2.05 0.00 3.54 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.86 0.00 130 D 8.53 4.39 0.00 2.37 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 0.00 131 Y 7.70 4.96 0.00 2.91 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 0.00 132 Y 8.21 5.83 0.00 2.98 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 0.00 133 V 8.55 3.94 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 0.23 0.00 0.00 0.70 0.00 0.00 134 F 8.17 4.94 0.00 3.17 2.88 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 0.00 0.00 0.00 135 R 8.55 5.03 0.00 2.04 1.88 0.00 3.16 0.00 0.00 3.14 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 136 T 8.27 4.61 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 1.11 0.00 0.00 137 E 8.54 4.01 0.00 1.88 1.87 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 1.47 1.94 0.00 138 K 7.67 4.25 0.00 1.72 1.73 0.00 1.69 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.51 1.38 7.81 139 W 8.71 4.19 0.00 3.45 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 0.00 140 I 8.38 4.28 1.72 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.79 -0.17 0.00 0.00 141 V 8.09 4.22 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 0.68 0.00 0.00 0.26 0.00 0.00 142 F 8.59 3.64 0.00 2.39 1.45 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 0.00 143 P 0.00 3.61 0.00 0.49 0.49 0.00 2.39 0.00 0.00 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.77 0.00 144 W 6.68 4.58 0.00 3.55 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 0.00 145 E 7.72 4.60 0.00 2.08 2.01 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 2.51 2.28 0.00 146 E 8.52 4.40 0.00 2.04 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 2.36 2.41 0.00 147 F 8.95 4.38 0.00 2.93 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 0.00 148 P 0.00 4.37 0.00 1.75 1.86 0.00 3.45 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 2.05 0.00 149 V 8.15 4.32 2.11 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 0.85 0.00 0.00 0.97 0.00 0.00 150 I 8.32 4.08 1.84 0.00 0.00 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 1.36 0.50 0.90 0.00 0.00 151 E 8.46 4.74 0.00 1.93 1.86 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 2.20 2.29 0.00 152 K 8.42 4.17 0.00 1.75 1.72 0.00 1.78 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 * Residues marked with a * may have inaccurate shift predictions.