NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 N 4.6950 8.4244 119.2048 53.4473 40.1784 172.5867 5 K 4.2267 8.1888 118.4650 53.8702 34.9089 173.9786 6 L 4.4036 9.2061 129.7604 53.6106 42.7393 175.5412 7 L 4.2813 8.6668 127.3567 57.1671 43.0620 177.4914 8 R 4.2684 7.1150 116.3843 56.9286 33.4865 174.6102 *10 D 4.6497 9.3395 114.0170 53.2005 42.1993 174.2232 11 N 4.6566 7.3010 111.6532 52.4360 39.9518 173.2938 12 V 4.4108 8.1223 119.3196 61.0263 33.9934 174.4288 13 S 5.1731 8.5158 122.1625 57.0896 65.3443 173.4727 14 I 4.5828 8.7263 122.1571 59.6439 40.9367 174.3913 15 V 4.6049 8.5193 127.0602 62.1521 32.2896 175.2101 16 V 4.6047 8.9088 120.5806 59.6613 35.0121 175.5004 17 E 4.0572 9.8538 122.6424 58.0155 30.0062 176.6505 18 S 4.6111 8.5539 114.6789 55.9413 64.2794 174.1821 19 L 4.0235 8.4451 130.2027 57.9586 41.5169 178.9268 20 D 4.3965 8.1566 118.2212 57.8015 40.8159 178.7530 21 N 4.3751 8.4107 116.5068 56.1364 38.4879 177.4740 22 A 4.0850 8.2263 122.2540 55.1593 18.5440 179.5758 23 I 3.7872 8.4772 118.6890 64.8970 37.0210 178.7555 24 S 4.2979 7.8456 114.3610 61.5249 63.0240 176.3797 25 F 4.1383 8.2176 123.1967 61.4416 39.3420 177.3604 26 F 3.9328 8.2783 116.9919 60.1201 38.4848 177.5196 27 E 4.5938 8.0982 119.8983 58.6548 28.9817 178.9942 28 E 3.8888 7.5525 117.9196 59.1934 29.4948 179.0320 29 I 3.6607 6.9697 118.7889 62.8694 37.2942 175.8192 30 G 3.5458 6.9039 106.3530 44.9682 0.0000 174.0203 31 L 4.4759 7.8017 120.9772 54.5020 43.2412 175.4931 32 N 5.2287 8.5745 118.2561 51.0815 41.2955 174.5573 33 L 4.0942 8.5515 125.0412 55.3872 42.1664 176.1193 34 E 4.4136 9.3643 126.2005 55.1284 31.1564 175.5733 35 G 4.2795 6.8343 110.1068 45.7527 0.0000 171.1201 36 R 5.1764 7.9174 117.5490 54.5156 34.3361 174.9558 37 A 4.4934 8.7174 121.7233 51.1730 23.2997 175.4078 38 N 4.7370 8.8497 120.8577 52.1736 39.1866 175.5400 39 V 3.9921 8.9329 126.7181 61.7432 31.8049 175.4871 40 E 4.6346 8.6402 126.7410 55.3869 30.3077 175.8458 41 G 4.0336 8.0282 106.5072 46.0805 0.0000 173.8773 42 E 4.3662 8.6143 116.3870 56.5797 30.2772 178.1593 43 W 4.2655 8.1127 118.1405 59.3875 28.3534 177.7408 44 A 2.8393 6.0900 121.1822 54.6581 17.6568 179.6302 45 G 4.0415 7.0811 105.1743 47.4600 0.0000 175.9843 46 R 4.0351 7.6359 119.4215 58.7408 30.1106 179.0500 47 V 3.7853 7.4782 117.3687 66.2599 31.8798 177.8392 48 T 4.1538 7.7996 107.7090 62.6302 68.8424 175.6864 49 G 3.9231 7.9422 109.0076 45.6615 0.0000 174.0229 50 L 4.2774 7.7458 120.0075 54.4668 44.3008 179.3135 51 G 3.6648 8.5804 107.9408 45.5477 0.0000 175.3681 52 S 4.1288 9.1105 122.4308 58.1447 62.2619 171.6259 53 Q 4.7931 8.2145 128.2170 54.5238 32.3317 173.5643 54 C 4.8627 9.4776 125.8122 57.8083 34.9493 172.6716 55 V 4.5717 8.7295 125.9578 60.9117 34.9074 173.4260 56 E 5.1541 8.7466 128.0455 54.4127 31.7516 174.6276 57 I 5.1448 8.7740 119.5893 59.2865 41.5833 174.1152 58 A 5.6359 8.8576 124.0262 49.2691 23.2247 175.2103 *61 V 4.1809 8.1626 115.6715 61.7634 32.5853 175.5078 62 T 4.4547 8.2719 112.2634 60.5369 69.6184 173.8396 63 P 4.1956 0.0000 0.0000 65.7570 31.3620 177.4178 64 D 4.3525 8.0464 115.0070 53.5311 39.6271 177.3538 65 G 3.9005 8.0355 108.0546 46.3211 0.0000 174.2769 66 H 4.6226 8.8606 116.6587 57.0407 29.5925 175.6279 67 S 4.9629 7.8932 114.6966 56.6881 66.3389 173.7312 68 R 5.0181 8.4094 120.3088 54.5378 34.7855 173.9585 69 I 4.7517 8.2059 121.5396 59.5146 40.2879 174.4925 70 E 4.3964 8.9532 129.0286 54.6458 30.8947 174.6030 71 L 4.8755 8.7325 128.5769 54.2494 43.5282 176.3664 72 S 5.0196 9.2950 119.1950 56.6468 67.3691 172.9100 73 R 4.9985 8.7882 124.2120 54.4552 32.6208 174.3113 74 F 4.4143 9.0431 125.6639 57.6306 39.2489 174.9737 75 L 4.5747 8.9260 123.8567 56.4466 43.2957 177.4688 76 T 4.8302 7.6142 114.6893 61.2473 72.6200 172.0136 77 P 4.9119 0.0000 0.0000 61.3271 32.6910 174.3241 78 P 4.5136 0.0000 0.0000 62.4922 31.9806 176.2441 79 T 3.8874 8.1939 109.5869 61.7668 69.2129 174.2598 80 I 4.3084 7.9029 114.7153 60.4456 38.3547 174.2676 81 A 4.4906 7.4414 122.1478 52.0998 21.7994 175.2701 82 D 4.6382 8.2832 118.3821 53.6546 44.2890 174.3571 83 H 5.0411 8.4527 120.4062 55.2594 29.4709 175.4746 84 R 3.9798 8.7260 122.4127 59.3915 29.8696 177.6651 85 T 4.5502 7.5503 106.4464 60.8241 69.2717 174.2418 86 A 4.1614 7.6069 124.1531 52.3137 18.9550 176.6492 87 P 4.5454 0.0000 0.0000 62.2300 32.2504 176.9449 88 V 3.7433 8.4047 119.0692 65.9205 32.0251 176.7210 89 N 4.7166 7.9072 117.7408 51.3625 36.0007 173.9416 90 A 4.7605 7.2666 121.8809 50.6802 22.9149 176.1827 91 L 4.0903 8.2529 120.8771 55.4525 42.5069 175.8291 92 G 3.5681 8.7443 106.7226 43.9397 0.0000 172.7598 93 Y 4.0904 8.2711 116.1227 58.7278 38.1151 175.4153 94 L 4.4919 8.3061 125.1031 55.1987 43.7947 176.0402 95 R 4.4464 7.2899 111.1719 55.5526 31.8989 174.6782 96 V 4.1576 7.5993 112.4734 60.1439 35.0859 174.5124 *98 F 4.8336 8.4116 118.3325 58.6651 40.7038 174.1918 99 T 5.0535 8.6646 118.8218 62.2384 69.7808 174.3884 100 V 4.5169 8.6622 119.5639 59.2131 34.7307 175.8036 101 E 3.9547 8.9422 123.0838 58.7089 30.0397 176.1979 102 D 4.7722 7.7375 118.0995 52.0877 42.5013 175.1393 103 I 3.7130 9.0805 128.4933 63.8573 38.6497 177.3001 104 D 4.5047 7.9138 118.4128 57.4619 40.8418 179.1857 105 E 4.2495 8.3135 118.3925 56.4800 29.0876 178.5965 *107 V 4.0110 7.9557 118.5000 62.4904 33.5855 177.2498 108 S 4.1454 8.2393 115.1108 60.8094 62.0365 176.1446 109 R 3.8050 8.1020 121.3650 59.4307 29.8944 178.4734 110 L 4.0718 7.8537 118.5544 58.0583 41.6831 179.4702 111 T 4.4876 8.1510 111.3179 64.3299 68.4083 176.6938 112 K 4.0892 7.9326 120.5078 59.0559 32.0083 177.8586 113 H 4.8773 7.3384 114.5167 55.8336 28.8997 176.0296 114 G 4.0233 8.1393 110.2602 45.1874 0.0000 174.7097 115 A 4.4633 8.1600 121.7031 52.2011 20.0214 176.3683 116 E 4.9233 9.0415 118.1888 54.2785 33.7356 175.5998 117 L 4.4471 8.7404 124.1791 55.4441 42.0014 177.1702 118 V 4.0014 8.9632 123.4065 63.4359 32.3654 176.7964 119 G 4.1613 8.1738 106.3322 45.5163 0.0000 173.9274 120 E 4.7131 8.5055 124.2220 53.7260 32.6336 174.4929 121 V 4.0772 8.2619 119.0737 62.6001 32.1264 175.1242 122 V 4.4874 9.0915 128.2879 61.0981 34.4823 173.6749 123 Q 4.9208 8.6058 127.7228 54.6340 30.9958 173.8436 124 Y 4.2453 8.9344 128.4158 55.3263 40.0057 176.1670 125 E 3.3254 8.2881 129.1824 57.6690 29.1304 175.4309 126 N 4.9976 8.7247 122.1436 53.6679 37.9382 174.8770 127 S 4.6155 8.1994 116.8486 60.9694 64.1477 173.4271 128 Y 5.3001 6.9757 115.5692 56.4154 41.3725 173.1538 129 R 5.3597 9.1214 118.1145 54.6282 34.1916 174.9521 130 L 5.2807 9.1758 121.8840 55.5367 44.6867 173.5297 131 C 4.9831 9.1057 113.0074 57.9523 33.4789 172.0582 132 Y 5.5332 8.5549 116.7653 56.4452 40.4809 174.8211 133 I 5.1017 9.1066 123.3650 59.4091 42.3612 173.7805 134 R 4.7967 9.3566 127.6649 54.1413 31.5990 175.0431 135 G 3.5001 8.7606 114.3753 44.2056 0.0000 174.5242 136 V 3.3014 5.6883 123.2834 63.3947 31.1061 176.1594 137 E 3.8026 9.6752 122.0701 57.2009 27.0117 175.6855 138 G 3.8614 8.2081 104.5026 45.5852 0.0000 174.7870 139 I 3.9583 7.5098 121.9262 61.1226 38.1311 175.2048 140 L 4.6263 8.4708 129.2415 55.1426 42.7859 175.9711 141 I 4.8869 9.0615 126.2219 59.6917 41.8111 174.3669 142 G 4.6207 9.0982 112.7032 44.7302 0.0000 172.8911 143 L 5.4602 9.0447 120.6618 52.9195 46.2696 175.5140 144 A 5.3025 9.1695 122.7952 50.5115 23.4534 174.5310 145 E 5.0962 9.5393 120.2599 54.4249 33.2039 174.4924 146 E 4.7786 8.9164 126.2011 55.8795 30.5954 175.8552 147 L 4.3242 9.1592 125.7107 54.5341 43.0450 177.3306 148 G 4.1696 8.7468 111.2266 46.1032 0.0000 173.2760 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 4 N 8.42 4.70 0.00 2.70 2.84 0.00 0.00 6.69 5.80 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 5 K 8.19 4.23 0.00 1.77 1.60 0.00 1.81 0.00 0.00 1.67 0.00 0.00 2.89 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.31 1.49 7.81 6 L 9.21 4.40 0.00 1.62 1.59 0.92 1.02 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 7 L 8.67 4.28 0.00 1.68 1.71 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 8 R 7.11 4.27 0.00 1.85 0.93 0.00 3.07 0.00 0.00 3.23 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.50 0.00 *10 D 9.34 4.65 0.00 2.69 2.81 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 11 N 7.30 4.66 0.00 2.64 2.72 0.00 0.00 5.72 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 12 V 8.12 4.41 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 0.85 0.00 0.00 0.85 0.00 0.00 13 S 8.52 5.17 0.00 3.93 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 I 8.73 4.58 1.90 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 1.07 0.67 0.96 0.00 0.00 15 V 8.52 4.60 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 1.03 0.00 0.00 1.13 0.00 0.00 16 V 8.91 4.60 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 1.01 0.00 0.00 17 E 9.85 4.06 0.00 1.88 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 0.00 2.30 2.25 0.00 18 S 8.55 4.61 0.00 3.87 3.80 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 19 L 8.45 4.02 0.00 1.74 1.72 1.01 1.09 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 20 D 8.16 4.40 0.00 2.69 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 21 N 8.41 4.38 0.00 2.74 2.86 0.00 0.00 6.99 7.24 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 22 A 8.23 4.09 1.54 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 0.00 0.00 23 I 8.48 3.79 2.07 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 1.57 0.96 0.95 0.00 0.00 24 S 7.85 4.30 0.00 4.04 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 25 F 8.22 4.14 0.00 3.02 2.97 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 26 F 8.28 3.93 0.00 3.19 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 27 E 8.10 4.59 0.00 2.15 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 2.33 2.48 0.00 28 E 7.55 3.89 0.00 1.81 1.81 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 2.41 2.39 0.00 29 I 6.97 3.66 1.60 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 -0.25 0.11 0.00 0.00 30 G 6.90 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 31 L 7.80 4.48 0.00 1.82 1.65 0.70 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 32 N 8.57 5.23 0.00 2.52 2.68 0.00 0.00 6.91 8.67 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 33 L 8.55 4.09 0.00 1.65 1.58 0.99 0.89 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 34 E 9.36 4.41 0.00 1.94 1.92 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 2.19 2.27 0.00 35 G 6.83 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 0.00 0.00 0.00 0.00 36 R 7.92 5.18 0.00 1.65 1.78 0.00 3.25 0.00 0.00 3.23 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 37 A 8.72 4.49 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 38 N 8.85 4.74 0.00 2.62 2.81 0.00 0.00 6.99 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 39 V 8.93 3.99 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 0.91 0.00 0.00 0.96 0.00 0.00 40 E 8.64 4.63 0.00 1.92 1.88 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 2.17 2.24 0.00 41 G 8.03 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 42 E 8.61 4.37 0.00 2.25 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 2.34 2.51 0.00 43 W 8.11 4.27 0.00 3.71 3.41 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 44 A 6.09 2.84 0.44 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 45 G 7.08 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 46 R 7.64 4.04 0.00 2.08 2.05 0.00 3.24 0.00 0.00 3.35 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.81 0.00 47 V 7.48 3.79 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 0.94 0.00 0.00 1.20 0.00 0.00 48 T 7.80 4.15 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 1.25 0.00 0.00 49 G 7.94 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 50 L 7.75 4.28 0.00 1.70 1.74 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 51 G 8.58 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 52 S 9.11 4.13 0.00 3.84 3.83 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 53 Q 8.21 4.79 0.00 2.07 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.52 0.00 0.00 0.00 0.00 0.00 2.10 2.47 0.00 54 C 9.48 4.86 0.00 2.90 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 55 V 8.73 4.57 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 -0.01 0.00 0.00 56 E 8.75 5.15 0.00 2.04 1.72 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 2.18 2.20 0.00 57 I 8.77 5.14 1.91 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 1.14 0.78 0.82 0.00 0.00 58 A 8.86 5.64 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 *61 V 8.16 4.18 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 0.83 0.00 0.00 0.98 0.00 0.00 62 T 8.27 4.45 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 1.34 0.00 0.00 63 P 0.00 4.20 0.00 2.05 2.16 0.00 3.67 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.13 0.00 64 D 8.05 4.35 0.00 2.68 2.77 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 65 G 8.04 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 66 H 8.86 4.62 0.00 3.19 3.36 0.00 5.62 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 S 7.89 4.96 0.00 3.74 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 R 8.41 5.02 0.00 1.90 1.72 0.00 3.05 0.00 0.00 3.32 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 69 I 8.21 4.75 1.54 0.00 0.00 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.53 0.46 0.00 0.00 70 E 8.95 4.40 0.00 1.99 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 2.18 2.24 0.00 71 L 8.73 4.88 0.00 1.74 1.61 1.08 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 72 S 9.30 5.02 0.00 3.63 3.50 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 73 R 8.79 5.00 0.00 1.83 1.71 0.00 3.14 0.00 0.00 3.24 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.71 0.00 74 F 9.04 4.41 0.00 2.98 3.12 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 75 L 8.93 4.57 0.00 1.68 1.71 0.92 1.10 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 76 T 7.61 4.83 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 1.29 0.00 0.00 77 P 0.00 4.91 0.00 2.02 2.03 0.00 3.95 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.90 0.00 78 P 0.00 4.51 0.00 2.19 2.11 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 79 T 8.19 3.89 4.16 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 1.17 0.00 0.00 80 I 7.90 4.31 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.67 0.89 0.00 0.00 81 A 7.44 4.49 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 82 D 8.28 4.64 0.00 2.55 2.49 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 83 H 8.45 5.04 0.00 3.29 3.42 0.00 5.52 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 84 R 8.73 3.98 0.00 1.85 2.13 0.00 3.08 0.00 0.00 3.25 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 85 T 7.55 4.55 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 1.19 0.00 0.00 86 A 7.61 4.16 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 87 P 0.00 4.55 0.00 2.42 2.10 0.00 3.80 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 88 V 8.40 3.74 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 1.02 0.00 0.00 1.12 0.00 0.00 89 N 7.91 4.72 0.00 2.89 2.87 0.00 0.00 5.71 7.26 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 90 A 7.27 4.76 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 91 L 8.25 4.09 0.00 1.62 1.57 0.90 0.95 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 92 G 8.74 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.27 4.09 0.00 3.02 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 94 L 8.31 4.49 0.00 1.58 1.66 0.99 1.00 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 95 R 7.29 4.45 0.00 1.68 1.59 0.00 2.93 0.00 0.00 2.66 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 1.48 0.00 96 V 7.60 4.16 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.61 0.00 0.00 0.94 0.00 0.00 *98 F 8.41 4.83 0.00 3.07 3.01 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 99 T 8.66 5.05 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 1.24 0.00 0.00 100 V 8.66 4.52 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 0.68 0.00 0.00 1.00 0.00 0.00 101 E 8.94 3.95 0.00 1.94 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 2.30 2.31 0.00 102 D 7.74 4.77 0.00 2.66 2.49 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 0.00 103 I 9.08 3.71 1.93 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 1.35 0.99 1.01 0.00 0.00 104 D 7.91 4.50 0.00 2.96 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 0.00 105 E 8.31 4.25 0.00 2.13 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 0.00 2.30 2.39 0.00 *107 V 7.96 4.01 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 1.04 0.00 0.00 108 S 8.24 4.15 0.00 3.98 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 0.00 109 R 8.10 3.81 0.00 1.98 1.88 0.00 3.28 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.65 0.00 110 L 7.85 4.07 0.00 1.77 1.82 0.88 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.15 4.49 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 1.37 0.00 0.00 112 K 7.93 4.09 0.00 1.77 1.80 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.44 1.67 7.81 113 H 7.34 4.88 0.00 3.25 3.32 0.00 5.62 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 G 8.14 4.02 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 0.00 115 A 8.16 4.46 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 0.00 116 E 9.04 4.92 0.00 1.88 1.81 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 2.23 2.44 0.00 117 L 8.74 4.45 0.00 1.56 1.81 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 118 V 8.96 4.00 2.34 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 0.83 0.00 0.00 1.03 0.00 0.00 119 G 8.17 4.16 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 0.00 0.00 0.00 120 E 8.51 4.71 0.00 2.03 1.92 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 2.16 2.26 0.00 121 V 8.26 4.08 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 0.80 0.00 0.00 0.97 0.00 0.00 122 V 9.09 4.49 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 0.87 0.00 0.00 0.98 0.00 0.00 123 Q 8.61 4.92 0.00 2.07 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.63 0.00 0.00 0.00 0.00 0.00 2.30 2.43 0.00 124 Y 8.93 4.25 0.00 2.52 1.56 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 0.00 125 E 8.29 3.33 0.00 1.61 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 1.83 1.47 0.00 126 N 8.72 5.00 0.00 2.75 2.78 0.00 0.00 5.82 7.64 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 0.00 127 S 8.20 4.62 0.00 4.15 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 0.00 128 Y 6.98 5.30 0.00 3.22 3.10 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 0.00 129 R 9.12 5.36 0.00 1.84 1.88 0.00 3.16 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 130 L 9.18 5.28 0.00 1.92 1.96 1.04 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 131 C 9.11 4.98 0.00 3.06 3.10 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 0.00 132 Y 8.55 5.53 0.00 2.92 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 I 9.11 5.10 1.98 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 1.32 1.91 1.13 0.00 0.00 134 R 9.36 4.80 0.00 1.75 1.79 0.00 3.15 0.00 0.00 3.32 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.59 0.00 135 G 8.76 3.50 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 0.00 136 V 5.69 3.30 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.86 0.00 0.00 137 E 9.68 3.80 0.00 2.03 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 2.18 2.22 0.00 138 G 8.21 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 0.00 0.00 0.00 139 I 7.51 3.96 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 1.11 0.59 0.98 0.00 0.00 140 L 8.47 4.63 0.00 1.61 1.64 0.89 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 141 I 9.06 4.89 2.09 0.00 0.00 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 1.52 0.77 1.28 0.00 0.00 142 G 9.10 4.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 L 9.04 5.46 0.00 1.68 1.61 0.99 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 144 A 9.17 5.30 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 0.00 145 E 9.54 5.10 0.00 2.02 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 0.00 2.25 2.58 0.00 146 E 8.92 4.78 0.00 1.94 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 0.00 2.31 2.36 0.00 147 L 9.16 4.32 0.00 1.77 1.63 0.93 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 148 G 8.75 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 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.