NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 A 4.3809 8.1233 122.4683 49.7889 20.5991 175.3248 11 L 4.7907 7.9454 115.0256 51.8179 44.0955 174.3289 12 L 4.6789 9.2015 125.1368 53.3479 44.3349 176.1867 13 T 4.3260 8.2288 117.6159 61.4479 68.5103 173.3742 14 P 4.2108 0.0000 0.0000 65.9817 31.4444 179.2401 15 G 3.6750 8.1210 103.5341 47.4510 0.0000 175.2691 16 E 3.8784 8.1393 121.5653 59.2966 29.5696 178.7435 17 V 3.4981 7.6899 116.0949 66.5306 31.6431 176.8967 18 A 4.1121 8.0667 124.0002 55.0368 17.8930 179.9897 19 K 3.7759 8.1997 122.8789 59.3482 32.0032 180.6891 20 R 4.6304 7.8093 114.9005 56.6109 30.6815 177.4394 21 S 4.7324 8.0184 113.0495 57.0509 63.9290 174.6196 22 G 3.9348 8.0279 109.6729 46.2213 0.0000 173.6124 23 V 4.4386 7.2140 111.3252 58.5339 35.2424 175.2945 24 A 4.2296 8.1689 124.7163 51.9507 19.3115 178.9750 25 V 3.4931 8.3935 119.7989 66.1342 31.5033 178.5476 26 S 3.8529 8.0770 113.2012 61.5444 62.1944 176.4534 27 A 3.7888 7.7308 124.1130 54.9073 17.8736 179.5871 28 L 3.6229 7.3673 116.2123 58.0192 41.8758 179.3915 29 H 4.4637 8.0630 115.8983 58.9248 28.7843 176.8745 30 F 4.4016 8.4082 122.3520 62.1129 39.1825 176.7059 31 Y 4.4703 9.1290 116.6342 60.2923 37.8155 177.7335 32 E 4.5148 8.8503 120.7344 57.6018 30.1535 177.9607 33 S 4.1956 8.2340 113.3838 61.4049 63.2660 175.3620 34 K 4.3052 8.4641 117.1078 55.4186 32.0034 177.0946 35 G 4.1056 7.5495 106.7587 46.8498 0.0000 173.9355 36 L 4.6850 8.4617 117.3570 55.1663 43.6246 177.4095 37 I 4.5950 7.5142 109.4109 59.1215 40.7978 173.9886 38 T 4.5918 7.9680 109.6278 59.9188 71.5813 172.5848 39 S 4.4390 8.1718 116.1571 56.5963 66.3169 174.2044 40 I 4.4680 7.8131 120.3515 58.3060 36.8664 175.7613 41 R 4.0421 8.0308 124.1977 56.8498 31.3679 174.9010 42 N 4.2697 8.8791 115.7630 53.6559 42.9124 174.3165 43 S 3.4826 9.6405 119.0517 59.5409 60.6578 172.6718 44 G 3.7247 7.5838 105.6368 47.3054 0.0000 171.6750 45 N 4.1764 8.1321 108.6059 53.3856 36.7452 175.4635 46 Q 4.3079 8.1424 121.7709 56.6514 27.0967 175.8128 47 R 4.3079 8.1597 123.0294 56.4557 31.5043 175.0135 48 R 4.6889 7.7053 117.0279 56.3566 33.5085 172.4498 49 Y 5.0249 9.2404 120.9440 56.1955 42.1634 174.5959 50 K 4.8056 8.4280 118.9761 55.4309 34.6975 177.8893 51 R 3.7936 8.5113 122.1191 59.7641 30.0027 178.5472 52 D 4.5145 8.3785 118.4588 56.9133 39.1566 178.9393 53 V 3.6945 8.1415 120.3656 65.0214 30.9159 178.3240 54 L 3.9979 7.9430 118.8332 57.6550 41.4210 179.1858 55 R 3.8805 8.4077 118.9321 60.1106 29.7486 177.6750 56 Y 4.0201 8.3758 115.7378 61.1518 37.8775 178.3716 57 V 3.4912 8.2752 118.4464 66.2505 31.5942 178.1404 58 A 4.0103 8.4134 120.4815 55.3442 18.3182 179.6038 59 I 3.8699 8.0557 118.3651 64.6206 37.2165 178.5300 60 I 3.5288 8.8873 121.7248 64.4072 36.8658 178.3924 61 K 3.8722 8.1838 119.0023 59.6157 31.9203 179.0511 62 I 3.7690 7.7129 119.5750 64.5644 37.1509 177.8236 63 A 3.2270 8.2409 121.5312 55.3398 17.8912 179.6547 64 Q 3.7170 8.0860 116.3531 59.1489 28.5862 179.1551 65 R 3.8997 8.3522 118.9310 59.4064 30.1595 177.9516 66 I 3.9688 7.7523 117.8380 62.0480 37.3232 176.8940 67 G 3.8888 8.0561 109.0665 44.7492 0.0000 173.9909 68 I 3.6027 6.8311 121.2000 60.0727 36.5491 174.3887 69 P 4.2686 0.0000 0.0000 62.4642 31.3879 176.9523 70 L 3.9473 8.5748 122.0068 58.3546 42.2092 178.7953 71 A 4.0422 7.8205 120.3643 55.0487 18.5116 179.2571 72 T 3.8772 7.5543 108.1154 64.5664 68.3541 176.2706 73 I 3.6563 7.0339 121.7124 64.3178 37.4469 177.7933 74 G 4.0696 8.1912 106.4068 48.0855 0.0000 175.1419 75 E 4.0219 8.3094 120.2776 59.3075 29.4044 179.1312 76 A 4.2389 7.8460 117.8674 53.9206 18.5525 178.4517 77 F 5.2483 8.1173 115.3198 57.8752 39.2297 176.5270 78 G 3.9222 8.0226 109.0800 47.5529 0.0000 175.2200 79 V 3.8118 7.6523 121.4037 64.1560 31.4358 176.9915 *85 T 4.1987 7.8995 107.3577 59.5223 70.5696 176.3482 86 L 3.6203 7.9762 119.5213 56.7049 39.3751 174.8981 87 S 4.2825 7.5646 112.9100 57.6576 63.6885 174.1804 88 A 4.2464 8.8654 129.0418 55.6719 17.5799 181.1065 89 K 4.0057 7.7115 124.2616 60.5501 32.0893 184.4618 90 E 4.2930 8.2057 119.8690 60.7566 29.6606 180.6678 91 W 4.5582 8.4756 131.6284 61.0612 30.3469 178.2301 92 K 3.6204 7.9306 122.1148 60.4643 31.3651 179.8379 93 Q 3.9373 8.4874 119.4957 56.5909 28.2214 178.6622 94 L 2.8580 7.5066 121.3656 58.0404 42.3602 179.0801 95 S 3.1793 6.9474 112.9341 61.3152 61.8108 176.3872 96 S 3.9467 7.9152 117.8160 61.4145 62.8145 176.2610 97 Q 3.8811 7.7549 119.9649 59.1960 28.3801 179.8233 98 W 4.3665 7.8915 119.5239 59.7961 29.1543 178.2812 99 R 3.9037 7.8412 118.3879 59.5822 29.6503 177.7878 100 E 3.9590 8.4955 119.1468 59.5645 29.4975 178.9298 101 E 3.8820 8.0400 118.4648 59.1152 29.8414 178.0692 102 L 3.8786 8.4075 120.8641 58.4638 42.0576 178.2286 103 D 4.3684 8.7001 120.3255 58.2201 40.8687 179.0391 104 R 3.9846 7.6015 119.1241 61.5635 29.6430 180.1579 105 R 4.2102 8.0636 119.4960 59.3115 30.1513 178.3332 106 I 3.6482 8.1314 120.0727 65.1882 37.0764 177.9741 107 H 4.2732 8.2666 116.5095 59.0900 28.4617 177.9848 108 T 3.7199 7.9817 117.6866 66.4432 67.7269 176.6013 109 L 4.0175 7.7743 120.3878 57.6113 42.0189 179.1406 110 V 3.7693 7.7026 117.9345 65.8768 31.3593 177.9329 111 A 3.9384 8.6920 121.0362 55.2199 18.2936 179.3804 112 L 3.9159 7.8277 118.8537 58.1040 42.0345 178.9389 113 R 3.8786 9.1014 119.4279 59.6692 29.9941 178.2551 114 D 4.4767 8.0455 118.3429 57.4644 40.6508 178.3519 115 E 3.9791 8.2130 119.0531 59.5447 29.3861 179.5305 116 L 4.0161 8.1600 118.6571 57.9716 41.5486 178.9998 117 D 4.5219 8.2333 118.0587 57.6135 40.8882 179.6290 118 G 3.6902 7.8772 104.2679 48.2229 0.0000 175.2500 119 C 4.2238 8.0395 119.9695 62.3695 27.8229 175.8164 120 I 3.7281 7.8228 120.6705 65.0978 36.8648 178.2156 121 G 3.7580 7.9418 105.3783 46.5059 0.0000 174.0488 122 C 4.0800 8.3183 121.0615 58.5889 30.9329 173.6705 123 G 3.9478 9.1111 104.3493 45.9889 0.0000 174.4003 124 C 4.2224 8.1549 116.3362 58.3685 30.5374 173.4483 125 L 3.5496 8.0489 120.6052 55.9518 39.0591 175.7283 126 S 4.2738 7.8632 114.4418 57.7208 62.7678 176.9930 127 R 3.9054 8.9597 129.5803 59.3459 30.1087 178.6658 128 S 4.2632 8.3713 115.3288 61.4459 62.4024 177.5482 129 D 4.8250 7.7687 116.3683 52.8044 41.6911 177.5269 130 C 4.3216 8.3371 117.8942 59.3311 30.6895 171.9414 131 P 4.3421 0.0000 0.0000 65.8694 30.9299 178.6577 132 L 4.1299 7.8609 116.7889 56.5837 41.6027 177.6041 133 R 4.4121 8.9747 117.6324 56.1424 30.0090 175.7879 134 N 4.5581 8.2688 119.9777 53.9035 39.7836 174.0941 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 10 A 8.12 4.38 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 11 L 7.95 4.79 0.00 1.62 1.63 1.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 12 L 9.20 4.68 0.00 1.60 1.58 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 13 T 8.23 4.33 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 1.31 0.00 0.00 14 P 0.00 4.21 0.00 2.25 2.22 0.00 3.73 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.50 0.00 15 G 8.12 3.68 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 0.00 0.00 0.00 16 E 8.14 3.88 0.00 2.10 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 2.30 0.00 17 V 7.69 3.50 1.83 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 0.72 0.00 0.00 0.79 0.00 0.00 18 A 8.07 4.11 1.39 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 0.00 0.00 19 K 8.20 3.78 0.00 1.88 1.77 0.00 1.80 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.40 1.38 7.81 20 R 7.81 4.63 0.00 1.85 1.99 0.00 3.08 0.00 0.00 3.27 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.69 0.00 21 S 8.02 4.73 0.00 4.01 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 22 G 8.03 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 23 V 7.21 4.44 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 1.00 0.00 0.00 0.93 0.00 0.00 24 A 8.17 4.23 1.20 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 25 V 8.39 3.49 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 1.03 0.00 0.00 0.88 0.00 0.00 26 S 8.08 3.85 0.00 4.00 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 27 A 7.73 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 L 7.37 3.62 0.00 1.80 1.78 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 29 H 8.06 4.46 0.00 3.43 3.38 0.00 5.66 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 30 F 8.41 4.40 0.00 3.09 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 31 Y 9.13 4.47 0.00 3.11 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 32 E 8.85 4.51 0.00 2.39 2.19 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 2.27 2.54 0.00 33 S 8.23 4.20 0.00 4.13 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 34 K 8.46 4.31 0.00 1.85 1.93 0.00 2.02 0.00 0.00 2.28 0.00 0.00 3.41 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.58 7.81 35 G 7.55 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 L 8.46 4.68 0.00 1.97 1.97 0.77 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 37 I 7.51 4.60 1.96 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.85 1.00 0.00 0.00 38 T 7.97 4.59 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 1.15 0.00 0.00 39 S 8.17 4.44 0.00 3.52 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 40 I 7.81 4.47 1.81 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 1.17 0.47 0.87 0.00 0.00 41 R 8.03 4.04 0.00 1.65 1.88 0.00 3.20 0.00 0.00 3.12 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.61 0.00 42 N 8.88 4.27 0.00 2.72 2.58 0.00 0.00 7.78 7.51 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 43 S 9.64 3.48 0.00 3.97 3.87 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 44 G 7.58 3.72 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 0.00 0.00 0.00 45 N 8.13 4.18 0.00 2.91 2.93 0.00 0.00 6.27 7.39 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 46 Q 8.14 4.31 0.00 2.21 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.12 6.82 0.00 0.00 0.00 0.00 0.00 2.36 2.41 0.00 47 R 8.16 4.31 0.00 1.77 1.84 0.00 3.24 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 48 R 7.71 4.69 0.00 1.88 1.71 0.00 3.30 0.00 0.00 3.42 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.76 0.00 49 Y 9.24 5.02 0.00 2.85 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 50 K 8.43 4.81 0.00 1.73 1.83 0.00 1.69 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.43 7.81 51 R 8.51 3.79 0.00 1.79 1.99 0.00 3.33 0.00 0.00 3.24 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.85 0.00 52 D 8.38 4.51 0.00 3.04 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 53 V 8.14 3.69 2.25 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 0.90 0.00 0.00 1.11 0.00 0.00 54 L 7.94 4.00 0.00 1.76 1.79 0.92 0.62 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 55 R 8.41 3.88 0.00 1.95 2.08 0.00 3.09 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 1.55 1.64 0.00 56 Y 8.38 4.02 0.00 3.23 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 57 V 8.28 3.49 2.20 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 1.35 0.00 0.00 1.15 0.00 0.00 58 A 8.41 4.01 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.06 3.87 2.35 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 1.53 0.87 1.62 0.00 0.00 60 I 8.89 3.53 1.80 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 1.66 0.99 0.24 0.00 0.00 61 K 8.18 3.87 0.00 1.95 1.89 0.00 1.78 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.58 1.95 7.81 62 I 7.71 3.77 2.29 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 1.54 0.92 1.17 0.00 0.00 63 A 8.24 3.23 0.25 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 64 Q 8.09 3.72 0.00 2.11 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 6.72 0.00 0.00 0.00 0.00 0.00 2.16 2.35 0.00 65 R 8.35 3.90 0.00 1.85 2.14 0.00 3.26 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 66 I 7.75 3.97 1.77 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 1.72 0.94 0.93 0.00 0.00 67 G 8.06 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 0.00 0.00 0.00 68 I 6.83 3.60 1.25 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.23 0.34 0.48 0.00 0.00 69 P 0.00 4.27 0.00 2.16 2.14 0.00 3.60 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 2.01 1.92 0.00 70 L 8.57 3.95 0.00 1.63 1.66 0.66 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.82 4.04 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 72 T 7.55 3.88 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 1.20 0.00 0.00 73 I 7.03 3.66 1.88 0.00 0.00 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.52 0.42 0.00 0.00 74 G 8.19 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.31 4.02 0.00 2.21 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 0.00 2.44 2.58 0.00 76 A 7.85 4.24 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 77 F 8.12 5.25 0.00 3.24 3.09 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 78 G 8.02 3.92 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 0.00 0.00 0.00 79 V 7.65 3.81 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 0.82 0.00 0.00 0.94 0.00 0.00 *85 T 7.90 4.20 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 1.21 0.00 0.00 86 L 7.98 3.62 0.00 1.59 1.66 0.44 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 87 S 7.56 4.28 0.00 3.86 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 88 A 8.87 4.25 1.39 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 0.00 0.00 89 K 7.71 4.01 0.00 1.83 1.74 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.03 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.39 1.32 7.81 90 E 8.21 4.29 0.00 1.98 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 2.25 2.20 0.00 91 W 8.48 4.56 0.00 3.30 3.24 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 92 K 7.93 3.62 0.00 1.90 1.75 0.00 1.87 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.40 1.39 7.81 93 Q 8.49 3.94 0.00 2.16 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 94 L 7.51 2.86 0.00 0.27 0.13 0.86 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 95 S 6.95 3.18 0.00 2.72 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 96 S 7.92 3.95 0.00 3.77 3.72 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 97 Q 7.75 3.88 0.00 1.79 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.92 0.00 0.00 0.00 0.00 0.00 2.34 2.40 0.00 98 W 7.89 4.37 0.00 3.44 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 99 R 7.84 3.90 0.00 1.98 2.03 0.00 3.11 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 100 E 8.50 3.96 0.00 2.03 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 2.32 2.35 0.00 101 E 8.04 3.88 0.00 2.42 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 2.31 2.34 0.00 102 L 8.41 3.88 0.00 1.90 1.83 0.93 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 103 D 8.70 4.37 0.00 2.73 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 0.00 104 R 7.60 3.98 0.00 1.99 1.85 0.00 3.33 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.53 0.00 105 R 8.06 4.21 0.00 1.88 2.14 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.66 0.00 106 I 8.13 3.65 2.00 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 1.49 0.80 0.81 0.00 0.00 107 H 8.27 4.27 0.00 3.36 3.32 0.00 5.63 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 0.00 108 T 7.98 3.72 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 1.21 0.00 0.00 109 L 7.77 4.02 0.00 1.86 1.70 0.91 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 110 V 7.70 3.77 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 1.03 0.00 0.00 0.97 0.00 0.00 111 A 8.69 3.94 1.43 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 0.00 0.00 112 L 7.83 3.92 0.00 1.79 1.84 0.92 0.94 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 0.00 113 R 9.10 3.88 0.00 2.01 2.16 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.69 0.00 114 D 8.05 4.48 0.00 2.98 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 0.00 115 E 8.21 3.98 0.00 2.22 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 2.34 2.37 0.00 116 L 8.16 4.02 0.00 1.92 1.71 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 117 D 8.23 4.52 0.00 2.81 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 0.00 118 G 7.88 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 0.00 0.00 0.00 119 C 8.04 4.22 0.00 3.12 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 0.00 120 I 7.82 3.73 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 1.45 0.65 0.91 0.00 0.00 121 G 7.94 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 0.00 122 C 8.32 4.08 0.00 2.99 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 0.00 123 G 9.11 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 0.00 124 C 8.15 4.22 0.00 3.09 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 0.00 125 L 8.05 3.55 0.00 1.76 1.75 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 126 S 7.86 4.27 0.00 3.65 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 0.00 127 R 8.96 3.91 0.00 1.76 2.00 0.00 3.21 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 1.62 1.64 0.00 128 S 8.37 4.26 0.00 3.67 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 0.00 129 D 7.77 4.83 0.00 2.65 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 0.00 130 C 8.34 4.32 0.00 2.95 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 0.00 131 P 0.00 4.34 0.00 2.25 2.32 0.00 3.76 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.04 0.00 132 L 7.86 4.13 0.00 1.66 1.78 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 133 R 8.97 4.41 0.00 1.76 2.03 0.00 3.28 0.00 0.00 3.22 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 134 N 8.27 4.56 0.00 2.68 2.62 0.00 0.00 6.73 8.43 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 * Residues marked with a * may have inaccurate shift predictions.