NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.5292 8.3049 120.3464 55.5486 34.0148 175.0662 2 K 3.9985 7.7514 124.8188 56.5984 35.1586 172.5298 3 T 2.9954 7.7216 117.8519 65.9610 74.8012 170.1022 4 Y 4.8329 8.1886 116.1997 59.7721 45.3981 175.6949 5 V 3.7264 7.9044 118.3951 61.5878 31.7020 173.7591 6 P 4.6678 0.0000 0.0000 61.5741 32.4930 175.9089 7 K 4.3472 8.4029 121.2361 55.0201 33.2614 176.5310 8 Q 3.7499 8.1988 118.6353 56.5376 28.4587 177.0306 9 V 4.3632 8.0608 122.2232 60.4052 33.7821 174.5155 10 E 4.1645 8.5953 126.6590 55.0915 30.0528 175.0122 11 P 4.5353 0.0000 0.0000 62.7525 32.2777 175.3927 12 R 4.7425 8.3779 119.2961 54.3372 32.5508 175.1321 13 W 4.7702 9.3631 126.5543 57.0198 30.5874 175.6563 14 V 4.7097 8.1650 117.6473 61.0188 33.9740 171.9265 15 L 5.4135 8.4592 124.1495 53.4517 45.3113 174.9849 16 I 4.9251 8.8611 118.5617 59.0537 41.5498 174.3313 17 D 5.2567 8.3202 120.0012 52.3345 40.6789 175.5801 18 A 4.5982 8.1332 120.2146 54.7323 19.0696 181.1494 19 E 3.9847 8.4406 121.2907 60.5536 30.1442 178.4354 20 G 3.8959 7.8962 105.4678 45.2086 0.0000 173.4757 21 K 4.4044 9.0033 120.7122 55.6867 34.3941 176.4406 22 T 5.0089 8.5919 119.0476 62.3497 69.2115 174.2983 23 L 4.1393 8.5036 127.8976 57.4971 40.8239 175.6245 24 G 4.3133 9.2900 110.9002 46.5061 0.0000 176.0319 25 R 3.9279 7.9003 118.5410 58.5377 30.1429 178.7847 26 L 3.8010 8.1312 120.0007 58.1847 42.2111 178.8240 27 A 4.0135 8.0403 120.2363 55.3535 18.4374 179.2970 28 T 3.8109 7.9393 114.3370 66.8338 68.5646 176.6951 29 K 3.8872 7.5175 119.6179 59.7229 31.9263 179.1855 30 I 3.6420 7.5766 118.1947 64.4946 37.2213 178.0901 31 A 4.0845 8.1242 121.1835 55.6868 18.3798 179.6543 32 T 3.7473 7.7103 113.7824 66.9197 68.2714 176.7604 33 L 3.9920 7.9237 120.7965 57.5548 41.6873 179.1097 34 L 3.9369 8.1151 119.5975 56.9472 41.7713 177.6897 35 R 4.6224 7.3720 114.7552 56.1044 30.4313 176.2014 36 G 4.1429 9.4218 108.0414 46.1142 0.0000 175.5665 37 K 3.3772 7.4604 119.9689 57.8134 32.1993 178.2514 38 H 4.4509 7.9872 114.0713 57.3924 29.1175 176.0441 39 R 4.1033 7.8086 120.9706 55.4040 30.4293 174.3063 40 P 4.8936 0.0000 0.0000 63.1080 31.4994 176.6477 41 D 4.5080 8.5419 120.3550 57.0833 41.2146 176.3795 42 W 4.3067 7.3513 126.0391 55.7023 31.4495 175.2096 43 T 4.1738 6.7293 121.9131 61.4685 71.6474 172.2339 44 P 3.6574 0.0000 0.0000 64.2367 31.8717 176.5311 45 N 4.7100 7.7065 114.9931 52.4933 37.7357 175.5806 46 V 3.9449 7.0082 116.9223 60.7221 33.4253 172.1371 47 A 3.5332 8.8054 126.1352 52.0570 14.7224 177.7858 48 M 4.7966 7.9436 124.5954 54.1919 30.3406 174.9314 49 G 4.7144 7.9508 105.2367 44.8005 0.0000 173.6821 50 D 5.0288 7.9574 118.9693 54.0292 41.1425 177.5546 51 F 3.3421 8.6349 117.9102 57.8817 39.4395 173.3135 52 V 3.2519 7.7238 126.7267 62.5313 29.7976 170.2737 53 V 4.9972 8.7772 127.1718 61.0581 34.8033 174.7666 54 V 5.4885 8.8598 125.4810 60.3821 34.1747 175.2928 55 V 4.3534 8.6091 121.3708 60.9290 33.5826 174.9310 56 N 4.4229 8.9391 116.3739 54.4958 36.8298 174.4125 57 A 4.2342 8.8205 128.7540 52.5991 18.5615 182.0926 58 D 4.0045 10.0343 121.4946 53.4372 42.2332 179.8651 59 K 3.5983 9.3378 114.0584 57.6517 33.1624 173.4115 60 I 3.5915 7.6762 112.3856 57.2740 38.0218 174.9041 61 R 4.6410 9.2289 126.7938 55.5180 32.3029 175.7163 62 V 4.7326 7.9725 119.2169 59.2893 34.1834 174.7556 63 T 4.4000 8.9194 112.2797 60.7840 68.8802 176.7341 64 G 4.3537 8.5147 104.2486 45.1069 0.0000 173.7447 65 K 4.4478 8.6190 127.1094 55.0333 31.4085 176.3278 66 K 4.6789 8.2354 127.0128 56.0320 33.6453 176.0849 67 L 4.3706 8.1676 120.2628 54.6203 41.2794 176.2770 68 E 4.0670 8.8582 120.8747 57.2789 27.4842 176.2829 69 Q 4.0281 7.9681 117.6513 58.3703 29.4231 176.4653 70 K 4.0504 7.8235 124.5964 56.5043 33.0388 174.8398 71 I 4.5953 8.0218 128.8535 59.7921 39.3119 175.8183 72 Y 4.0582 8.8212 126.0952 57.1321 37.1702 176.4783 73 T 3.7894 8.8523 120.5562 64.6637 69.4159 177.5817 74 R 3.3951 8.0711 117.9094 58.3807 30.2427 176.7034 75 Y 4.3365 10.6523 119.4217 56.4714 37.3326 174.7820 76 S 4.6346 8.4564 120.5688 56.4039 62.6943 173.5868 77 G 3.6792 8.9382 120.5216 46.3453 0.0000 171.4973 78 Y 4.7882 7.7900 126.1469 55.9077 41.3956 173.3129 79 P 4.8582 0.0000 0.0000 61.2568 32.7720 174.8054 80 G 4.6390 7.4313 121.3387 46.0854 0.0000 172.6108 81 G 4.0092 7.6555 110.0444 43.5698 0.0000 173.8999 82 L 4.8425 8.0978 130.3111 56.2556 40.9223 177.1839 83 K 4.4007 7.2802 119.2802 55.2133 32.6042 175.1014 84 K 4.9457 8.6788 127.1503 55.1232 35.2159 175.4474 85 I 4.6536 8.5573 125.1286 58.4430 40.4524 173.5081 86 P 4.8240 0.0000 0.0000 62.3933 32.1987 176.8197 87 L 4.0602 9.4067 124.7414 59.1814 42.3490 179.2056 88 E 3.9101 7.7540 116.6798 59.4211 29.2276 179.6310 89 K 3.8567 8.2201 118.1648 59.9745 32.3190 178.8447 90 M 4.0378 8.1769 118.0994 58.7251 31.6492 178.6509 91 L 4.0565 7.4631 116.9659 57.9707 41.9555 179.0762 92 A 4.2364 8.0176 119.5037 53.9499 18.3171 177.8312 93 T 4.2200 7.7619 111.6528 62.1412 70.6236 173.8366 94 H 4.6805 8.9091 119.8680 55.3089 26.9137 173.0828 95 P 4.6280 0.0000 0.0000 64.8968 32.0100 178.0621 96 E 3.9485 8.2256 117.6802 59.5544 29.2273 179.1754 97 R 3.7897 7.6156 117.8224 58.8590 30.1695 178.6958 98 V 3.4871 7.3673 118.3692 66.3648 31.3883 177.9101 99 L 4.1009 7.8574 118.9779 57.9673 42.0214 177.9995 100 E 4.0274 8.0096 118.3010 59.5314 29.3333 178.5416 101 H 4.1623 8.8624 115.9264 59.2939 28.7668 177.1012 102 A 4.0660 7.7346 120.4364 55.6380 18.3942 179.6685 103 V 3.7176 8.0075 116.2474 66.0499 31.6836 178.0066 104 K 4.1305 9.0344 119.9325 59.6717 31.6864 178.8193 105 G 3.7718 8.3526 105.2649 47.1529 0.0000 174.5096 106 M 4.5379 7.9556 118.2678 54.1151 32.8992 175.5885 107 L 4.5890 7.1132 119.8882 52.3939 43.4985 175.0099 108 P 4.4978 0.0000 0.0000 62.5903 31.8911 177.4202 109 K 3.9930 8.5187 118.6168 59.2404 33.3239 178.3025 110 G 3.8776 7.7513 105.8808 43.3660 0.0000 171.4590 111 P 4.2292 0.0000 0.0000 65.6137 31.1986 178.2309 112 L 3.9893 8.0113 118.4814 58.2898 42.0379 178.9766 113 G 4.2302 8.0552 106.2757 47.4238 0.0000 175.1877 114 R 3.9286 8.0057 120.1608 59.0947 30.2352 178.2795 115 R 4.0950 7.8734 118.4995 59.2432 30.1352 178.4002 116 L 3.9011 8.3020 119.2619 57.6794 41.4758 179.2039 117 F 4.0303 8.2570 120.4065 61.0083 38.9596 177.3696 118 K 3.9725 7.8239 117.7532 59.2416 31.9822 178.5170 119 R 3.5520 7.6130 116.6889 57.5666 30.0564 176.1877 120 L 4.3825 6.8530 121.4304 54.0928 43.0112 176.0694 121 K 4.2452 8.9025 125.8574 54.7251 34.6723 174.9827 122 V 4.6590 7.8162 125.3019 61.1515 32.8095 174.4262 123 Y 4.7667 9.3515 124.9481 55.9730 41.9664 175.3741 124 A 4.5634 7.9802 124.2119 51.2965 16.6996 179.3655 125 G 3.9136 8.2427 110.9352 44.7724 0.0000 168.5613 126 P 4.4003 0.0000 0.0000 63.2504 32.9326 170.9796 127 D 4.3016 8.8336 127.6221 54.8508 39.2567 174.1276 128 H 4.0374 7.6680 122.2053 52.0508 27.6847 170.9444 129 P 3.9473 0.0000 0.0000 66.1891 30.8349 176.8030 130 H 5.4005 7.7843 135.0000 56.7777 29.6210 173.9597 131 Q 4.2408 7.3233 119.5095 54.7371 30.8731 175.3237 132 A 4.6328 7.3356 127.5076 50.0105 18.9606 174.7078 133 Q 4.3615 7.7997 123.0655 56.1723 32.8358 173.2809 134 R 3.7267 7.1648 113.7066 53.6454 28.4397 173.8722 135 P 4.7969 0.0000 0.0000 60.0829 32.1027 173.0904 136 E 4.7771 8.5858 126.9752 56.6724 29.9741 176.3202 137 K 4.4167 8.6672 126.3558 55.6929 34.0617 177.1929 138 L 4.4474 8.2895 123.7718 53.2697 42.2540 177.5023 *139 E 4.1515 8.3832 117.5361 55.8590 30.3597 175.4421 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 4.53 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.53 0.00 2 K 7.75 4.00 0.00 1.58 1.34 0.00 1.91 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.28 1.47 7.81 3 T 7.72 3.00 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 1.22 0.00 0.00 4 Y 8.19 4.83 0.00 2.95 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 5 V 7.90 3.73 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 0.72 0.00 0.00 0.94 0.00 0.00 6 P 0.00 4.67 0.00 2.04 2.01 0.00 3.64 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 2.10 0.00 7 K 8.40 4.35 0.00 1.75 1.73 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.42 7.81 8 Q 8.20 3.75 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 9 V 8.06 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 0.84 0.00 0.00 1.01 0.00 0.00 10 E 8.60 4.16 0.00 1.99 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 2.33 2.42 0.00 11 P 0.00 4.54 0.00 2.51 2.29 0.00 3.85 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 12 R 8.38 4.74 0.00 1.97 1.90 0.00 3.25 0.00 0.00 3.41 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.74 0.00 13 W 9.36 4.77 0.00 3.22 3.36 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 14 V 8.16 4.71 2.14 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 0.72 0.00 0.00 1.07 0.00 0.00 15 L 8.46 5.41 0.00 1.71 1.55 0.97 0.90 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 16 I 8.86 4.93 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 1.13 0.55 0.92 0.00 0.00 17 D 8.32 5.26 0.00 2.70 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 18 A 8.13 4.60 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 19 E 8.44 3.98 0.00 2.08 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 2.32 2.33 0.00 20 G 7.90 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 21 K 9.00 4.40 0.00 1.86 1.74 0.00 1.68 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.57 7.81 22 T 8.59 5.01 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 1.22 0.00 0.00 23 L 8.50 4.14 0.00 1.68 1.71 1.03 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 24 G 9.29 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 25 R 7.90 3.93 0.00 2.03 1.98 0.00 3.13 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.68 0.00 26 L 8.13 3.80 0.00 1.77 1.66 0.92 0.87 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 27 A 8.04 4.01 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 28 T 7.94 3.81 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 1.19 0.00 0.00 29 K 7.52 3.89 0.00 1.88 1.83 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.44 1.63 7.81 30 I 7.58 3.64 2.00 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 1.43 0.59 0.86 0.00 0.00 31 A 8.12 4.08 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 32 T 7.71 3.75 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 1.09 0.00 0.00 33 L 7.92 3.99 0.00 1.93 1.64 0.57 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 34 L 8.12 3.94 0.00 1.80 1.68 0.78 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.37 4.62 0.00 2.07 2.23 0.00 3.03 0.00 0.00 3.10 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.50 0.00 36 G 9.42 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 37 K 7.46 3.38 0.00 1.47 1.53 0.00 1.09 0.00 0.00 1.37 0.00 0.00 2.60 0.00 0.00 2.74 0.00 0.00 0.00 0.00 0.66 0.21 7.81 38 H 7.99 4.45 0.00 3.26 3.37 0.00 5.52 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 R 7.81 4.10 0.00 1.82 1.81 0.00 3.13 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.81 0.00 40 P 0.00 4.89 0.00 2.26 2.15 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 41 D 8.54 4.51 0.00 2.72 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 42 W 7.35 4.31 0.00 3.52 2.95 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 43 T 6.73 4.17 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 1.08 0.00 0.00 44 P 0.00 3.66 0.00 2.15 2.28 0.00 3.51 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.92 0.00 45 N 7.71 4.71 0.00 2.77 2.87 0.00 0.00 5.82 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 46 V 7.01 3.94 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 0.58 0.00 0.00 0.86 0.00 0.00 47 A 8.81 3.53 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 48 M 7.94 4.80 0.00 1.94 2.08 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 2.31 2.50 0.00 49 G 7.95 4.71 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 0.00 0.00 0.00 50 D 7.96 5.03 0.00 2.62 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 51 F 8.63 3.34 0.00 1.66 1.49 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 0.00 0.00 0.00 0.00 52 V 7.72 3.25 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 0.87 0.00 0.00 0.87 0.00 0.00 53 V 8.78 5.00 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 1.16 0.00 0.00 1.38 0.00 0.00 54 V 8.86 5.49 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 1.13 0.00 0.00 0.93 0.00 0.00 55 V 8.61 4.35 2.14 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 0.93 0.00 0.00 1.01 0.00 0.00 56 N 8.94 4.42 0.00 3.08 2.84 0.00 0.00 6.91 7.35 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 57 A 8.82 4.23 1.09 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 58 D 10.03 4.00 0.00 2.93 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 0.00 0.00 0.00 0.00 59 K 9.34 3.60 0.00 1.95 2.21 0.00 1.97 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.47 1.38 7.81 60 I 7.68 3.59 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 1.60 0.44 0.96 0.00 0.00 61 R 9.23 4.64 0.00 1.72 1.90 0.00 3.29 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 62 V 7.97 4.73 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 0.71 0.00 0.00 0.95 0.00 0.00 63 T 8.92 4.40 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 64 G 8.51 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 0.00 0.00 0.00 0.00 65 K 8.62 4.45 0.00 1.72 1.72 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.04 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.39 7.81 66 K 8.24 4.68 0.00 1.77 1.70 0.00 1.71 0.00 0.00 1.80 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.38 7.81 67 L 8.17 4.37 0.00 1.71 1.63 0.92 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.86 4.07 0.00 2.05 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 2.24 2.62 0.00 69 Q 7.97 4.03 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.36 2.45 0.00 70 K 7.82 4.05 0.00 1.81 1.68 0.00 1.17 0.00 0.00 1.65 0.00 0.00 2.78 0.00 0.00 2.51 0.00 0.00 0.00 0.00 1.37 1.15 7.81 71 I 8.02 4.60 1.83 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 1.32 0.92 0.93 0.00 0.00 72 Y 8.82 4.06 0.00 3.19 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 73 T 8.85 3.79 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 1.26 0.00 0.00 74 R 8.07 3.40 0.00 2.37 2.03 0.00 3.24 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.89 0.00 75 Y 10.65 4.34 0.00 3.10 2.95 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 76 S 8.46 4.63 0.00 3.86 3.81 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 77 G 8.94 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 78 Y 7.79 4.79 0.00 2.93 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 79 P 0.00 4.86 0.00 2.27 2.31 0.00 4.17 0.00 0.00 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.34 0.00 80 G 7.43 4.64 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 0.00 0.00 0.00 0.00 0.00 0.00 81 G 7.66 4.01 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 0.00 0.00 0.00 82 L 8.10 4.84 0.00 1.77 1.78 0.94 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 83 K 7.28 4.40 0.00 1.80 1.92 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.36 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.25 1.40 7.81 84 K 8.68 4.95 0.00 1.77 1.77 0.00 1.57 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 1.43 7.81 85 I 8.56 4.65 1.87 0.00 0.00 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.05 0.85 0.00 0.00 86 P 0.00 4.82 0.00 2.24 2.19 0.00 3.75 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 1.96 0.00 87 L 9.41 4.06 0.00 1.93 1.98 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 88 E 7.75 3.91 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 2.36 2.50 0.00 89 K 8.22 3.86 0.00 2.07 1.86 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.64 7.81 90 M 8.18 4.04 0.00 1.92 2.26 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.51 0.00 91 L 7.46 4.06 0.00 1.76 1.75 0.96 0.86 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 92 A 8.02 4.24 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 93 T 7.76 4.22 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 1.17 0.00 0.00 94 H 8.91 4.68 0.00 3.37 3.55 0.00 5.67 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.63 0.00 2.29 2.44 0.00 3.88 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 2.08 1.88 0.00 96 E 8.23 3.95 0.00 2.11 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 2.35 2.32 0.00 97 R 7.62 3.79 0.00 1.75 1.67 0.00 3.12 0.00 0.00 3.01 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.83 0.00 98 V 7.37 3.49 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 1.11 0.00 0.00 0.98 0.00 0.00 99 L 7.86 4.10 0.00 1.72 1.62 0.91 0.99 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 0.00 100 E 8.01 4.03 0.00 2.20 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 2.26 2.55 0.00 101 H 8.86 4.16 0.00 3.19 3.52 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 A 7.73 4.07 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 0.00 0.00 103 V 8.01 3.72 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 1.09 0.00 0.00 1.00 0.00 0.00 104 K 9.03 4.13 0.00 1.25 1.89 0.00 1.32 0.00 0.00 1.37 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.30 1.22 7.81 105 G 8.35 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 0.00 106 M 7.96 4.54 0.00 1.95 2.08 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.55 0.00 107 L 7.11 4.59 0.00 1.85 1.63 1.08 1.09 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 0.00 108 P 0.00 4.50 0.00 2.25 2.22 0.00 3.73 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.04 0.00 109 K 8.52 3.99 0.00 1.87 1.97 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.40 1.43 7.81 110 G 7.75 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 0.00 111 P 0.00 4.23 0.00 2.16 2.12 0.00 3.61 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 2.11 2.15 0.00 112 L 8.01 3.99 0.00 1.73 1.67 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 113 G 8.06 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 0.00 0.00 0.00 0.00 114 R 8.01 3.93 0.00 2.01 2.01 0.00 3.25 0.00 0.00 3.12 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 115 R 7.87 4.09 0.00 2.13 1.97 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 116 L 8.30 3.90 0.00 1.72 1.66 1.02 0.81 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 0.00 117 F 8.26 4.03 0.00 3.15 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 0.00 118 K 7.82 3.97 0.00 1.95 1.86 0.00 1.79 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.56 1.76 7.81 119 R 7.61 3.55 0.00 1.31 0.66 0.00 2.21 0.00 0.00 2.86 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.28 0.00 120 L 6.85 4.38 0.00 1.31 1.28 0.69 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 121 K 8.90 4.25 0.00 1.79 1.64 0.00 1.62 0.00 0.00 1.72 0.00 0.00 2.92 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.43 1.78 7.81 122 V 7.82 4.66 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 0.76 0.00 0.00 0.82 0.00 0.00 123 Y 9.35 4.77 0.00 2.94 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 A 7.98 4.56 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.24 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 0.00 126 P 0.00 4.40 0.00 2.19 2.12 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.99 0.00 127 D 8.83 4.30 0.00 2.80 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 0.00 128 H 7.67 4.04 0.00 2.87 3.28 0.00 5.48 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 P 0.00 3.95 0.00 2.12 2.10 0.00 3.56 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.90 0.00 130 H 7.78 5.40 0.00 3.26 3.34 0.00 5.69 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 7.32 4.24 0.00 2.19 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.12 0.00 0.00 0.00 0.00 0.00 2.29 1.94 0.00 132 A 7.34 4.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 133 Q 7.80 4.36 0.00 1.63 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.11 2.13 0.00 134 R 7.16 3.73 0.00 1.98 2.17 0.00 3.21 0.00 0.00 3.40 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 135 P 0.00 4.80 0.00 2.10 2.14 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 136 E 8.59 4.78 0.00 2.03 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 2.32 2.44 0.00 137 K 8.67 4.42 0.00 1.69 1.72 0.00 1.71 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.48 7.81 138 L 8.29 4.45 0.00 1.56 1.57 0.93 0.86 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 *139 E 8.38 4.15 0.00 1.73 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 0.00 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.