NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 D 4.6258 8.3649 120.2642 53.2226 40.3663 173.8155 6 F 4.6952 8.2156 128.3232 55.9069 41.0192 172.2057 7 E 3.8399 9.3246 124.3235 60.0610 30.5648 175.1600 8 E 3.8323 8.3388 128.5895 55.7821 28.0564 172.8764 9 K 4.5795 8.5700 126.4005 54.5911 35.4071 174.9207 10 M 4.7735 8.5355 123.6174 54.0495 31.9812 175.1766 11 I 3.9914 8.0739 125.9822 62.5211 36.6627 175.6839 12 L 5.0227 7.8979 120.7194 54.3640 44.8561 175.3559 13 I 5.9259 8.6361 119.6714 58.6770 40.8763 174.9832 14 R 4.7360 8.4673 120.4152 54.6456 33.3207 173.3992 15 R 4.3885 8.4580 121.4339 55.1746 30.9843 175.4795 16 T 4.7677 8.4050 117.0758 60.6012 72.1724 172.5858 17 A 4.7743 8.0975 120.6535 51.2057 21.7380 175.9130 18 R 4.6645 8.3549 114.9119 54.7724 33.3169 174.1528 19 M 4.4791 8.3088 119.3936 54.3985 34.2419 175.4722 20 Q 4.2605 8.7882 119.1726 54.7355 32.6504 172.4494 21 A 4.0271 8.6311 128.2291 56.2297 17.7929 177.1744 22 G 4.0303 9.0610 109.1553 45.9710 0.0000 173.6899 23 G 3.5460 7.1653 107.6648 44.3276 0.0000 172.0847 24 R 4.4920 7.7722 119.7512 53.1842 31.0927 176.0124 25 R 3.9710 8.2284 124.5417 56.1176 31.4903 174.3909 26 F 5.2762 9.4035 121.1252 56.0780 42.6643 174.4133 27 R 5.2408 7.8862 126.5365 56.8131 32.0311 173.1615 28 F 5.3462 8.3650 120.6267 55.6468 43.5409 173.9503 29 G 4.3976 9.4173 108.6286 44.3593 0.0000 171.9059 30 A 5.2294 8.1871 124.0063 49.9139 22.4991 174.5032 31 L 5.3057 8.9714 125.4302 53.7094 44.2054 175.4912 32 V 4.7997 9.1118 125.7941 61.2370 35.4654 174.1236 33 V 4.8344 8.3618 125.9710 61.4125 34.4972 174.5258 34 V 4.7295 8.2424 124.1425 61.4714 35.2325 174.1285 35 G 4.6933 8.4828 112.1398 45.2454 0.0000 173.4264 36 D 4.8556 8.7700 120.7600 53.3976 40.4950 177.1480 37 R 4.4321 8.1870 116.3425 58.3703 26.6039 176.5195 38 Q 4.4926 9.8126 117.6769 55.6734 31.0864 175.2423 39 G 3.3546 7.4294 107.9416 45.7466 0.0000 172.2692 40 R 5.0336 7.9499 120.1366 54.1146 33.1613 175.1705 41 V 5.2851 7.7029 115.7618 60.8666 37.1584 173.5598 42 G 4.5031 8.2385 107.6159 44.9358 0.0000 171.4147 43 L 5.1059 8.4297 125.3357 53.0662 44.3904 175.8969 44 G 4.1840 9.0722 112.5565 44.7553 0.0000 170.8286 45 F 5.5571 8.9326 128.1107 56.3843 41.6426 174.8258 46 G 3.9159 8.8267 113.2016 44.4070 0.0000 171.2999 47 K 5.5774 8.2675 123.8916 53.9937 35.0548 175.2399 48 A 4.4235 8.1313 122.2592 51.0485 21.9721 175.5953 49 P 4.4595 0.0000 0.0000 64.5138 31.8290 176.1327 50 E 4.1816 8.0256 118.2132 53.4198 32.6943 175.0549 51 V 3.3308 7.4133 121.6496 65.3896 31.3996 176.0981 52 P 4.1440 0.0000 0.0000 65.9546 31.3633 178.0607 53 L 3.8773 7.9658 116.3590 58.0458 41.5232 179.0898 54 A 3.9933 7.8732 120.1414 55.5724 18.0891 179.7103 55 V 3.5257 7.5229 114.8207 66.5272 31.8198 177.3206 56 Q 4.0304 8.0424 118.9005 59.2968 28.7421 178.3472 57 K 4.0303 8.5040 118.6633 59.8670 32.2535 178.5341 58 A 4.1855 8.4184 120.8805 55.6092 18.2156 179.7886 59 G 3.6883 8.2286 103.2988 48.1117 0.0000 174.7708 60 Y 4.3515 8.2054 121.8139 60.9186 38.8477 177.9205 61 Y 3.6590 8.2141 117.1638 60.6910 37.5079 178.0861 62 A 4.0691 8.3949 122.1366 55.6581 18.2247 180.0155 63 R 3.9005 7.7943 114.7784 59.2889 30.2064 178.6577 64 R 4.1376 7.4285 117.3055 58.1272 30.9552 175.6359 65 N 4.9018 7.9951 118.0129 51.4165 39.3050 172.9661 66 M 5.1681 8.2696 121.9186 52.8937 36.1430 174.8268 67 V 4.4598 9.0428 121.0409 59.7670 34.9688 175.1480 68 E 4.5533 8.6370 121.8704 55.5771 28.0495 174.6319 69 V 3.7261 8.9672 126.3289 63.1239 32.3524 173.0038 70 P 4.7253 0.0000 0.0000 61.3024 30.0487 176.1450 71 L 4.2899 7.9657 126.1904 55.7040 43.0509 177.5610 72 Q 4.5674 8.0427 113.3678 55.2766 30.3062 173.5560 73 N 4.3454 9.3523 112.3452 53.9509 39.4093 174.4028 74 G 4.0421 8.7663 102.8935 45.6776 0.0000 173.3210 75 T 4.6629 7.2487 115.3159 61.5070 67.2714 175.6559 76 I 4.7340 8.1511 117.5539 58.6643 41.0785 172.9048 77 P 4.3760 0.0000 0.0000 65.5767 31.2632 175.9061 78 H 5.0121 7.8692 111.5978 52.9045 31.7973 171.7215 79 E 4.7249 8.5582 119.4029 55.6794 30.2701 176.2502 80 I 4.7669 8.6602 116.5357 59.2536 41.6977 173.8336 81 E 5.2589 8.6368 121.4299 54.7860 33.2310 175.5467 82 V 4.4462 8.7068 122.6219 61.5395 35.4911 173.2043 83 E 5.0723 8.9301 127.4281 54.8522 30.7004 175.1770 84 F 4.6984 8.8760 127.7848 57.1474 41.6858 174.3599 85 G 3.5854 7.9566 117.7406 46.7038 0.0000 173.2539 86 A 4.4120 8.2967 127.6303 51.8821 19.1330 175.9742 87 S 5.5517 7.6912 114.0876 57.7070 65.7035 173.1594 88 K 4.9900 8.6274 126.5982 54.7873 34.7092 174.8082 89 I 5.0450 8.6120 125.8150 59.3340 41.6264 173.7007 90 V 4.8019 8.5817 129.1650 61.2445 33.9217 174.3058 91 L 5.0147 9.0706 127.5757 53.0249 44.5369 175.5120 92 K 4.9942 9.2492 124.3960 53.4393 35.2993 174.3560 93 P 4.6696 0.0000 0.0000 62.9441 31.9327 175.6086 94 A 4.8500 8.4053 124.2337 49.8418 21.3422 176.7130 95 A 4.0979 8.4588 122.1142 51.1347 19.1889 176.0975 96 P 4.9769 0.0000 0.0000 63.5732 31.8660 174.8796 97 G 3.7737 8.9026 113.0291 46.0763 0.0000 172.3348 98 T 4.5897 8.3767 118.6500 66.0531 75.4904 173.9057 99 G 4.0680 7.3770 105.5680 44.0627 0.0000 173.1766 100 V 4.4742 7.9046 121.0893 61.1470 30.6388 173.0113 101 I 4.1673 8.2397 117.1620 60.2404 38.8632 175.3226 102 A 4.9046 7.5985 126.9276 51.9421 22.1848 175.3741 103 G 3.7484 8.4315 108.4000 44.4954 0.0000 173.8870 104 A 3.7771 8.0530 118.4718 56.0837 18.1298 179.5492 105 V 3.4736 7.9253 113.6790 66.0141 31.6180 176.6863 106 P 4.2345 0.0000 0.0000 66.6808 31.1650 177.4438 107 R 3.8346 8.9303 118.3785 59.2071 29.9285 178.9569 108 A 3.4210 9.1096 115.4935 53.2287 19.3130 179.4350 109 I 3.6585 7.9675 116.4602 64.1553 37.8353 178.5704 110 L 4.0820 8.1322 119.3430 57.4348 41.3649 179.3337 111 E 3.9398 8.4566 119.2647 59.5893 29.3695 179.3797 112 L 4.2272 7.6681 117.3187 57.4778 41.4852 179.0046 113 A 4.1791 7.6692 118.7938 52.3727 18.5238 177.1259 114 G 3.6518 8.4109 105.4272 46.5521 0.0000 174.2357 115 V 4.3275 7.5252 118.1786 62.0722 32.8553 175.1960 116 T 4.6970 8.4494 115.1364 63.6721 73.9084 173.0591 117 D 4.9483 7.8918 120.3596 52.1940 42.7391 173.4821 118 I 4.9144 8.4227 122.2779 59.3661 42.3171 173.0110 119 L 4.7631 9.7583 130.3992 53.5145 43.5524 175.2721 120 T 5.6615 9.0568 113.3849 60.9117 72.8023 172.0662 121 K 3.9641 8.4961 121.4823 55.0890 33.8411 174.0879 122 E 4.6952 8.3248 128.0958 55.8018 30.4627 175.9181 123 L 4.8480 8.7113 122.6607 52.9239 46.4524 177.3121 124 G 3.6562 8.4090 107.7914 46.7984 0.0000 174.9138 125 S 4.2216 9.7760 121.4880 58.3809 62.3876 174.0761 126 R 4.4379 8.3419 127.9826 56.4352 30.5834 176.6623 127 N 4.4016 7.9934 117.4497 53.7999 39.6030 171.8123 128 P 4.0393 0.0000 0.0000 66.0677 31.5810 178.3514 129 I 3.5964 7.5023 117.4625 64.8962 37.5209 177.8337 130 N 4.7427 8.1344 115.4437 55.7784 38.4688 177.7710 131 I 3.8155 8.1883 121.9937 64.6228 37.3390 177.1234 132 A 3.8856 8.8775 120.2198 55.0831 17.4426 178.9955 133 Y 3.6625 7.8309 113.5594 60.3604 38.2276 178.7372 134 A 4.1050 7.9108 120.9581 55.2496 18.7853 179.1127 135 T 3.9666 8.5942 113.4203 67.4388 68.6869 176.0198 136 M 3.8440 7.7409 119.2323 59.1671 31.8491 178.6070 137 E 4.0485 7.8223 117.4267 58.6681 29.9206 179.0655 138 A 4.1390 8.0395 121.9533 54.6391 18.6085 179.0900 139 L 3.8770 7.8676 116.1458 58.2244 41.6910 179.8575 140 R 3.8860 8.1984 116.9527 58.4420 30.0523 176.3947 141 Q 4.6753 8.3262 116.9775 55.8208 29.5732 174.9922 142 L 4.7515 8.0368 118.3718 53.6313 42.9090 176.7067 143 R 4.6714 8.1746 121.2779 54.0423 33.8850 175.3403 144 T 4.5933 8.8970 111.7302 59.6129 72.7118 175.3811 145 K 3.7921 8.6646 122.2930 60.3903 31.9288 177.5571 146 A 4.0684 7.9683 119.5030 54.4659 17.7992 178.0540 147 D 4.4119 8.2112 122.2161 54.9632 40.1251 178.8180 148 V 3.7968 7.6305 120.5508 65.7389 31.3373 177.0554 149 E 4.1485 8.2457 115.8265 57.9042 29.4789 178.5981 150 R 3.9302 8.0760 119.9402 58.7714 30.2264 176.6078 151 L 4.4846 7.9147 116.6791 54.9415 42.6045 176.8600 152 R 4.7608 7.0805 117.8645 55.6435 32.1149 177.7406 153 K 3.9900 8.4141 122.1484 56.5036 30.5156 178.2685 154 G 3.4427 9.2854 117.9748 46.9813 0.0000 174.1799 *155 E 4.1319 8.1621 119.6270 56.2539 30.4399 175.6817 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 5 D 8.36 4.63 0.00 2.69 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 0.00 6 F 8.22 4.70 0.00 3.07 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 7 E 9.32 3.84 0.00 2.11 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 2.35 2.32 0.00 8 E 8.34 3.83 0.00 2.21 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 2.23 2.34 0.00 9 K 8.57 4.58 0.00 1.81 1.58 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.38 7.81 10 M 8.54 4.77 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.53 0.00 11 I 8.07 3.99 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 1.31 0.83 0.94 0.00 0.00 12 L 7.90 5.02 0.00 1.67 1.75 1.04 0.66 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 13 I 8.64 5.93 1.94 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.24 1.04 0.00 0.00 14 R 8.47 4.74 0.00 1.84 2.02 0.00 3.01 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.64 0.00 15 R 8.46 4.39 0.00 0.93 1.56 0.00 2.21 0.00 0.00 2.58 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.16 0.00 16 T 8.41 4.77 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 1.23 0.00 0.00 17 A 8.10 4.77 1.12 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 18 R 8.35 4.66 0.00 1.83 1.94 0.00 2.74 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.50 0.00 19 M 8.31 4.48 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.40 0.00 20 Q 8.79 4.26 0.00 1.98 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.79 0.00 0.00 0.00 0.00 0.00 2.20 2.38 0.00 21 A 8.63 4.03 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 22 G 9.06 4.03 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 0.00 0.00 0.00 23 G 7.17 3.55 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 0.00 0.00 0.00 24 R 7.77 4.49 0.00 1.21 1.72 0.00 2.72 0.00 0.00 2.25 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 0.00 25 R 8.23 3.97 0.00 1.86 1.75 0.00 3.15 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.74 0.00 26 F 9.40 5.28 0.00 2.96 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 27 R 7.89 5.24 0.00 2.03 1.94 0.00 3.15 0.00 0.00 3.37 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.48 0.00 28 F 8.37 5.35 0.00 2.90 2.89 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 29 G 9.42 4.40 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 0.00 30 A 8.19 5.23 1.21 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 0.00 0.00 0.00 31 L 8.97 5.31 0.00 1.96 1.65 0.93 0.56 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 32 V 9.11 4.80 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 1.00 0.00 0.00 0.98 0.00 0.00 33 V 8.36 4.83 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 0.83 0.00 0.00 0.91 0.00 0.00 34 V 8.24 4.73 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 0.79 0.00 0.00 0.99 0.00 0.00 35 G 8.48 4.69 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 36 D 8.77 4.86 0.00 3.00 3.35 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 37 R 8.19 4.43 0.00 2.00 2.27 0.00 3.23 0.00 0.00 2.25 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 38 Q 9.81 4.49 0.00 2.12 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.59 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 39 G 7.43 3.35 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 40 R 7.95 5.03 0.00 1.91 1.57 0.00 3.18 0.00 0.00 3.60 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 41 V 7.70 5.29 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 0.81 0.00 0.00 0.86 0.00 0.00 42 G 8.24 4.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 8.43 5.11 0.00 1.46 1.30 0.88 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 44 G 9.07 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 0.00 0.00 0.00 0.00 45 F 8.93 5.56 0.00 2.91 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 46 G 8.83 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 47 K 8.27 5.58 0.00 1.51 1.65 0.00 0.98 0.00 0.00 1.88 0.00 0.00 2.79 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.23 0.89 7.81 48 A 8.13 4.42 1.21 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 0.00 0.00 0.00 49 P 0.00 4.46 0.00 2.08 2.18 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.13 0.00 50 E 8.03 4.18 0.00 1.92 1.61 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 2.09 2.10 0.00 51 V 7.41 3.33 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 0.97 0.00 0.00 0.44 0.00 0.00 52 P 0.00 4.14 0.00 2.13 2.07 0.00 3.51 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.14 0.00 53 L 7.97 3.88 0.00 1.80 1.74 0.91 0.70 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 54 A 7.87 3.99 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 55 V 7.52 3.53 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 0.85 0.00 0.00 0.99 0.00 0.00 56 Q 8.04 4.03 0.00 2.15 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.45 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 57 K 8.50 4.03 0.00 2.18 2.43 0.00 1.86 0.00 0.00 1.74 0.00 0.00 3.30 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.64 1.75 7.81 58 A 8.42 4.19 1.46 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 59 G 8.23 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 60 Y 8.21 4.35 0.00 2.92 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 61 Y 8.21 3.66 0.00 3.13 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 62 A 8.39 4.07 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 0.00 0.00 63 R 7.79 3.90 0.00 2.03 2.13 0.00 3.34 0.00 0.00 3.31 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.97 0.00 64 R 7.43 4.14 0.00 1.49 2.03 0.00 2.94 0.00 0.00 3.03 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.57 0.00 65 N 8.00 4.90 0.00 2.85 2.59 0.00 0.00 6.98 6.94 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 66 M 8.27 5.17 0.00 1.85 1.83 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.58 0.00 67 V 9.04 4.46 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 0.79 0.00 0.00 0.90 0.00 0.00 68 E 8.64 4.55 0.00 1.98 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 2.26 2.29 0.00 69 V 8.97 3.73 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 0.93 0.00 0.00 0.94 0.00 0.00 70 P 0.00 4.73 0.00 2.21 2.07 0.00 3.82 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 1.97 1.97 0.00 71 L 7.97 4.29 0.00 1.66 1.68 0.93 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.04 4.57 0.00 1.98 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.99 0.00 0.00 0.00 0.00 0.00 2.22 2.29 0.00 73 N 9.35 4.35 0.00 2.75 3.12 0.00 0.00 7.33 7.98 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 74 G 8.77 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 0.00 0.00 0.00 75 T 7.25 4.66 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 1.24 0.00 0.00 76 I 8.15 4.73 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 1.48 0.65 0.95 0.00 0.00 77 P 0.00 4.38 0.00 2.27 2.16 0.00 3.74 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 1.97 0.00 78 H 7.87 5.01 0.00 3.21 3.24 0.00 5.52 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 E 8.56 4.72 0.00 1.84 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 0.00 2.28 2.37 0.00 80 I 8.66 4.77 1.81 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.29 0.67 0.00 0.00 81 E 8.64 5.26 0.00 1.81 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 2.19 2.25 0.00 82 V 8.71 4.45 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 1.00 0.00 0.00 0.95 0.00 0.00 83 E 8.93 5.07 0.00 1.89 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 2.24 2.29 0.00 84 F 8.88 4.70 0.00 3.11 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 85 G 7.96 3.59 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 0.00 0.00 0.00 86 A 8.30 4.41 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 87 S 7.69 5.55 0.00 3.98 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 88 K 8.63 4.99 0.00 1.85 1.64 0.00 1.57 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.37 7.81 89 I 8.61 5.05 1.89 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 1.12 1.48 0.98 0.00 0.00 90 V 8.58 4.80 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 0.93 0.00 0.00 91 L 9.07 5.01 0.00 1.72 1.52 0.91 0.55 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 92 K 9.25 4.99 0.00 1.60 1.67 0.00 1.66 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.33 1.33 7.81 93 P 0.00 4.67 0.00 2.08 2.19 0.00 3.74 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 1.99 1.99 0.00 94 A 8.41 4.85 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 95 A 8.46 4.10 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 96 P 0.00 4.98 0.00 2.05 2.03 0.00 3.83 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 97 G 8.90 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 98 T 8.38 4.59 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 99 G 7.38 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 0.00 100 V 7.90 4.47 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 0.85 0.00 0.00 0.98 0.00 0.00 101 I 8.24 4.17 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 1.16 0.93 0.91 0.00 0.00 102 A 7.60 4.90 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 0.00 103 G 8.43 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 0.00 104 A 8.05 3.78 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 0.00 105 V 7.93 3.47 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 1.10 0.00 0.00 0.95 0.00 0.00 106 P 0.00 4.23 0.00 2.30 2.30 0.00 3.70 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 2.28 2.03 0.00 107 R 8.93 3.83 0.00 2.03 2.15 0.00 3.13 0.00 0.00 3.17 8.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.66 0.00 108 A 9.11 3.42 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 0.00 109 I 7.97 3.66 2.00 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 1.48 1.04 0.87 0.00 0.00 110 L 8.13 4.08 0.00 1.88 1.71 0.91 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.46 3.94 0.00 2.17 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 2.35 0.00 112 L 7.67 4.23 0.00 1.74 1.76 0.95 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 113 A 7.67 4.18 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 0.00 114 G 8.41 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 0.00 115 V 7.53 4.33 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 0.86 0.00 0.00 1.00 0.00 0.00 116 T 8.45 4.70 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 0.00 117 D 7.89 4.95 0.00 2.54 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 0.00 118 I 8.42 4.91 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 1.22 1.17 0.91 0.00 0.00 119 L 9.76 4.76 0.00 1.53 1.55 0.92 0.44 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 0.00 120 T 9.06 5.66 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 0.00 121 K 8.50 3.96 0.00 1.95 1.92 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.01 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.29 1.26 7.81 122 E 8.32 4.70 0.00 2.00 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 2.31 2.33 0.00 123 L 8.71 4.85 0.00 1.60 1.53 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 124 G 8.41 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 0.00 125 S 9.78 4.22 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 0.00 126 R 8.34 4.44 0.00 1.84 1.93 0.00 3.27 0.00 0.00 3.15 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 127 N 7.99 4.40 0.00 2.71 2.71 0.00 0.00 7.21 9.05 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 0.00 128 P 0.00 4.04 0.00 2.21 2.05 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.24 0.00 129 I 7.50 3.60 1.93 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 1.34 1.02 0.64 0.00 0.00 130 N 8.13 4.74 0.00 2.83 3.04 0.00 0.00 7.12 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 0.00 131 I 8.19 3.82 2.04 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 1.73 1.14 0.96 0.00 0.00 132 A 8.88 3.89 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 0.00 133 Y 7.83 3.66 0.00 2.54 1.69 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 0.00 134 A 7.91 4.11 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 0.00 135 T 8.59 3.97 4.32 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 1.18 0.00 0.00 136 M 7.74 3.84 0.00 1.92 2.07 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.74 0.00 137 E 7.82 4.05 0.00 2.07 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 2.31 2.48 0.00 138 A 8.04 4.14 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 0.00 139 L 7.87 3.88 0.00 1.80 1.73 0.88 0.75 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 0.00 140 R 8.20 3.89 0.00 1.81 1.98 0.00 3.18 0.00 0.00 3.20 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 141 Q 8.33 4.68 0.00 2.18 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.46 0.00 0.00 0.00 0.00 0.00 2.28 2.66 0.00 142 L 8.04 4.75 0.00 1.68 1.64 0.93 1.14 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 0.00 143 R 8.17 4.67 0.00 1.63 1.73 0.00 3.32 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.51 0.00 144 T 8.90 4.59 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 1.19 0.00 0.00 145 K 8.66 3.79 0.00 1.82 1.87 0.00 1.72 0.00 0.00 1.81 0.00 0.00 3.36 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.65 1.53 7.81 146 A 7.97 4.07 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 0.00 147 D 8.21 4.41 0.00 2.83 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 0.00 148 V 7.63 3.80 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 1.12 0.00 0.00 0.93 0.00 0.00 149 E 8.25 4.15 0.00 2.27 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 0.00 2.69 2.30 0.00 150 R 8.08 3.93 0.00 1.87 2.11 0.00 3.24 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 151 L 7.91 4.48 0.00 1.72 1.69 0.92 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 152 R 7.08 4.76 0.00 1.80 1.92 0.00 3.16 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 1.58 1.76 0.00 153 K 8.41 3.99 0.00 1.74 1.35 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.60 1.38 7.81 154 G 9.29 3.44 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 0.00 *155 E 8.16 4.13 0.00 1.75 1.78 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 2.13 2.37 0.00 * Residues marked with a * may have inaccurate shift predictions.