NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.2821 8.1593 117.3737 63.5485 69.8446 173.9052 2 S 4.4628 8.2998 120.9184 55.8742 66.4564 173.4395 3 K 3.9979 9.2070 123.9362 59.6969 32.3333 179.7478 4 K 3.8329 8.0970 118.1158 59.6675 31.8413 178.9708 5 K 4.0302 7.8964 117.5277 58.6971 32.1111 177.8043 6 R 4.3962 7.5981 116.0608 56.6257 30.6861 177.7786 7 Q 4.1467 8.0426 119.6229 57.3488 28.3842 176.0352 8 R 3.9633 7.5842 118.8440 58.8021 30.1024 176.1126 9 G 4.0838 8.9944 111.4809 45.7487 0.0000 174.0653 10 S 4.2461 8.1757 112.9794 57.9160 63.1195 173.7897 11 R 3.9649 7.5914 122.4243 57.8180 29.5453 176.2758 12 T 4.2391 7.5645 104.8247 61.5481 69.7627 174.2880 13 H 4.7833 8.3308 118.2978 56.0981 26.8663 175.6929 14 G 3.9209 8.4135 104.3190 45.9427 0.0000 174.9241 15 G 3.7967 8.3062 108.0328 45.6199 0.0000 175.9609 16 G 3.9437 7.9198 106.2192 44.5281 0.0000 173.6403 17 S 4.1760 8.6078 116.9859 58.7423 62.7550 174.8351 18 H 4.5090 8.8573 120.7223 56.9010 28.2528 175.8498 19 K 4.1058 7.6242 118.7586 57.1312 31.9666 177.6243 20 N 4.3636 7.6923 117.4239 55.9227 38.9665 177.2620 21 R 4.3162 7.4349 122.0550 56.1460 29.2556 177.5493 22 R 4.4950 7.6935 122.3201 56.1844 31.1664 179.9330 23 G 4.1274 8.5968 122.3812 45.5713 0.0000 173.5961 24 A 4.2912 8.6229 120.6314 54.1248 18.4619 179.9650 25 G 3.5655 8.0240 104.4211 47.7538 0.0000 175.0529 26 H 4.5056 8.2010 119.0068 57.8588 29.9707 176.3328 27 R 4.5262 7.6786 117.1983 55.2023 30.6954 176.0012 28 G 3.8629 8.0508 106.4375 46.7599 0.0000 173.7110 29 G 4.1759 8.1278 106.3531 43.3324 0.0000 174.7820 30 R 3.9906 8.7492 121.4530 57.1273 31.7398 176.1721 31 G 3.8180 8.2108 113.7053 47.4879 0.0000 173.6827 32 D 4.6572 8.7086 124.7296 53.7435 40.6793 175.5645 33 A 4.1044 7.4697 122.8496 54.0239 18.7348 178.8906 34 G 3.8217 8.9514 109.6641 45.0379 0.0000 175.1583 35 R 3.7064 7.8929 116.1953 57.1245 29.2803 177.1700 36 D 5.0565 7.8922 115.3727 52.6896 42.1934 175.4158 37 K 4.4505 9.3667 119.3847 57.0086 32.2753 178.5128 38 H 4.3539 9.8878 125.9027 58.5248 29.4243 175.7056 39 E 4.7839 7.4855 120.7626 55.6547 30.1741 177.8353 40 F 5.0096 8.3111 114.4818 59.2125 38.6172 175.6543 41 H 3.4696 6.6835 117.2409 57.4776 28.8225 174.3346 42 N 4.2082 8.6840 119.2770 54.9020 36.1118 173.9250 43 H 4.9077 7.9548 112.2401 53.5067 32.4083 173.9874 44 E 4.1215 8.7544 123.0921 55.5976 29.9271 175.2943 45 P 4.4951 0.0000 0.0000 62.4360 32.0615 176.0114 46 L 4.1663 8.0162 119.2012 54.8062 42.2648 175.8280 47 G 4.1623 8.1960 105.7626 43.9080 0.0000 173.4124 48 K 4.5739 8.2633 119.1258 54.6059 33.9037 176.4739 49 S 4.4625 8.0846 116.2158 57.4394 65.4591 175.0677 50 G 4.0204 8.9001 117.4968 45.9295 0.0000 170.8858 51 F 4.9848 8.6097 113.6706 55.7232 41.0167 173.2243 52 K 4.2146 8.2247 118.5181 54.4969 35.3274 176.4993 53 R 4.4692 7.9574 121.1874 53.9476 31.6304 174.7167 54 P 4.2828 0.0000 0.0000 63.2442 31.6133 177.0055 55 Q 3.9014 9.0041 120.9202 59.1887 28.7312 178.6520 56 K 4.4032 7.9525 113.7418 56.8830 32.5915 177.0554 57 V 4.2790 7.9026 116.7871 62.8993 32.2971 174.9697 58 Q 4.4891 7.6246 118.1771 55.1904 29.8163 174.9009 59 E 4.4427 8.5189 122.0538 54.8060 31.4936 175.2983 60 E 4.4445 8.2074 122.4317 54.1686 31.9386 174.4129 61 A 4.0347 8.2529 128.7616 51.3131 19.8142 176.5155 62 A 4.4691 8.8226 124.7080 50.9204 20.0169 176.8771 63 T 5.4112 8.0719 111.5725 60.9906 71.4872 174.0367 64 I 4.2944 7.7091 118.7016 60.4535 41.4850 172.9334 65 D 5.1947 8.5401 128.6559 53.4156 42.2153 177.7784 66 V 3.6366 8.5446 116.7942 64.7386 31.5315 178.7328 67 R 3.8444 7.8946 117.9742 59.6745 29.5145 178.0380 68 E 3.8575 7.9839 117.5933 59.5054 29.9716 178.3465 69 I 3.7399 7.7743 119.2591 64.4230 37.0684 177.2898 70 D 4.3729 8.4248 118.7493 57.8844 40.8842 178.7370 71 E 4.1909 8.0116 116.3071 58.1643 29.5790 177.3165 72 N 4.9667 8.1331 115.5278 52.4375 40.0403 176.3504 73 V 3.2858 7.4929 114.2882 64.5991 31.6647 178.3015 74 T 3.9847 7.4639 108.5855 65.0413 68.5622 176.3906 75 L 4.1173 7.8497 120.8297 56.2963 41.8465 177.7094 76 L 4.4521 7.9571 119.6823 54.1916 41.7058 178.4658 77 A 4.1320 7.4934 121.7949 55.1039 18.7730 178.3340 78 A 4.5153 7.7658 117.9713 52.1784 18.9499 176.9966 79 D 4.7482 8.0909 118.2846 55.5368 45.5640 175.5562 80 D 4.2604 7.5890 121.2825 49.7308 41.3906 175.8011 81 V 4.6108 8.2130 122.2563 61.7001 34.4968 175.0689 82 A 4.3534 7.8230 125.6173 51.6693 21.0799 176.1493 83 E 3.7478 8.9265 112.8570 59.3745 29.7838 176.7305 *89 F 4.6182 7.7038 117.7175 57.5341 41.1922 173.8736 90 R 4.9384 9.1548 120.3121 54.8626 32.4490 174.6205 91 V 4.4963 8.6927 126.3009 59.8581 34.8985 174.4196 92 D 4.6207 8.7217 124.0591 53.1853 41.4679 176.5409 93 V 3.5841 8.7961 127.8254 66.2587 31.6718 178.2929 94 R 3.6422 7.6636 117.0319 59.5645 29.9275 177.1433 95 D 4.6730 8.2979 114.9293 54.6416 41.1767 176.7088 96 V 4.1303 8.3297 119.8381 63.9815 33.2096 176.4716 97 V 3.7020 7.5895 119.0334 62.6117 31.4911 175.4249 98 E 4.1878 8.5841 126.3821 56.9745 30.5868 177.1981 99 E 3.8104 8.8038 117.2760 57.1006 27.2032 175.6909 100 A 4.2605 7.6203 118.9835 52.8617 17.8672 178.0098 101 D 4.7136 7.9981 118.4182 57.3550 42.0784 178.5607 102 D 4.2587 7.9096 115.2071 54.4066 39.5555 176.2989 103 A 4.2255 7.4013 124.1467 51.9314 19.0057 177.8293 104 D 4.3185 8.3855 120.2908 55.0148 41.7590 175.5197 105 Y 4.6918 6.1138 118.2960 57.6940 41.7166 171.7147 106 V 4.8779 8.1772 119.7818 61.0561 34.1858 174.2005 107 K 4.6759 9.0560 128.5423 54.5910 35.4895 174.5822 108 V 4.6724 8.2610 127.4342 61.6530 33.2029 174.6430 109 L 4.7482 9.2864 128.3085 52.5479 44.4015 176.7473 110 G 4.4137 7.9628 108.6392 45.7825 0.0000 174.0265 111 A 4.4986 8.0137 122.6777 51.7036 20.6973 178.3573 112 G 4.1776 8.8327 109.1752 44.7054 0.0000 172.4173 113 Q 4.3937 8.0358 116.8363 54.5623 30.2328 176.1571 114 V 4.3218 7.9189 118.2053 61.7526 32.6499 174.7800 115 R 4.5482 8.5722 126.9460 55.8774 30.3138 176.2470 116 H 4.9217 7.6588 112.9497 54.5730 32.8366 172.9173 117 E 4.6614 8.6961 120.6824 55.2235 29.9423 176.1094 118 L 5.0457 8.5973 124.5602 53.1432 45.6033 175.9427 119 T 4.9641 8.7354 119.8119 62.1066 70.6149 172.8155 120 L 5.2766 8.5473 127.1483 53.0846 44.4535 175.9492 121 I 5.3453 8.7621 123.4832 58.9983 39.7020 174.5902 122 A 4.9070 8.5514 127.2426 50.6983 22.5210 176.0728 123 D 4.4600 8.4701 116.7665 56.0775 41.9061 176.0378 124 D 4.4861 6.9251 115.6131 53.6913 44.3153 174.3946 125 F 5.4388 8.7909 121.0673 55.9686 43.5231 174.0173 126 S 4.6880 8.5359 115.2978 57.1566 65.2315 174.5500 127 E 4.0003 9.2463 120.8243 60.2945 29.3127 179.9762 128 G 3.7900 8.2954 104.4909 47.9922 0.0000 175.1692 129 A 4.0964 8.1668 122.8558 55.1888 18.4741 179.7805 130 R 3.7317 7.9714 116.1238 59.1565 30.2175 178.5322 131 E 3.8979 8.3474 118.3286 59.7504 29.3228 180.0680 132 K 3.9446 7.9442 117.7028 59.6051 31.7821 179.7085 133 V 3.6301 8.0901 118.7801 65.7891 31.2688 178.0184 134 E 4.8176 8.2494 120.1902 58.7783 29.3835 179.1374 135 G 3.8643 8.0909 102.9630 46.2196 0.0000 173.3716 136 A 4.6326 7.4187 123.4666 51.6657 19.4984 176.6579 137 G 3.5797 8.6599 105.3546 48.0025 0.0000 173.6532 138 G 4.4898 7.9779 104.7087 43.1382 0.0000 171.9232 139 S 5.1048 8.9007 113.0838 56.3934 67.1209 173.2440 140 V 4.3157 8.1158 119.6488 61.1233 33.7987 174.3046 141 E 4.5278 9.5018 128.9595 54.5449 31.3251 175.2283 142 L 4.7783 8.5869 128.0866 54.6081 42.3164 176.4517 143 T 4.0100 8.7533 124.0259 63.9130 69.7282 175.3994 144 D 4.4669 8.8464 121.8307 57.6805 41.1529 178.7985 145 L 3.8882 8.2020 119.2815 58.1936 41.9132 178.1845 146 G 3.8369 7.3395 102.7458 46.6015 0.0000 173.4511 147 E 4.3661 8.3982 120.4087 57.2063 29.1783 176.9676 148 E 4.6298 7.9997 114.7628 56.4390 30.8344 177.5860 149 R 4.3323 7.6364 116.7780 54.1041 29.4261 176.4916 150 Q 4.2441 7.4941 122.4768 56.9846 29.0623 172.9252 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 T 8.16 4.28 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 2 S 8.30 4.46 0.00 4.09 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 3 K 9.21 4.00 0.00 1.83 1.84 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.50 1.53 7.81 4 K 8.10 3.83 0.00 1.83 1.86 0.00 1.73 0.00 0.00 1.75 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.52 7.81 5 K 7.90 4.03 0.00 1.74 2.01 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.52 7.81 6 R 7.60 4.40 0.00 1.93 1.92 0.00 3.21 0.00 0.00 3.21 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 7 Q 8.04 4.15 0.00 1.88 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.74 6.95 0.00 0.00 0.00 0.00 0.00 2.58 2.37 0.00 8 R 7.58 3.96 0.00 1.79 1.91 0.00 3.36 0.00 0.00 3.27 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.59 0.00 9 G 8.99 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 S 8.18 4.25 0.00 3.98 3.97 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 11 R 7.59 3.96 0.00 1.95 1.99 0.00 3.20 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.59 0.00 12 T 7.56 4.24 4.33 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 1.31 0.00 0.00 13 H 8.33 4.78 0.00 3.17 3.38 0.00 5.71 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 G 8.41 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 15 G 8.31 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 0.00 0.00 0.00 16 G 7.92 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 S 8.61 4.18 0.00 3.88 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 18 H 8.86 4.51 0.00 3.30 3.36 0.00 5.57 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.62 4.11 0.00 1.75 1.82 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.27 1.33 7.81 20 N 7.69 4.36 0.00 2.72 2.62 0.00 0.00 6.96 7.20 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 21 R 7.43 4.32 0.00 1.77 1.89 0.00 3.16 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.63 0.00 22 R 7.69 4.49 0.00 1.73 0.94 0.00 3.23 0.00 0.00 3.20 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.51 0.00 23 G 8.60 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 A 8.62 4.29 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 25 G 8.02 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 26 H 8.20 4.51 0.00 3.19 3.48 0.00 5.92 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 R 7.68 4.53 0.00 2.03 1.91 0.00 3.36 0.00 0.00 3.23 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.67 0.00 28 G 8.05 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 29 G 8.13 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 30 R 8.75 3.99 0.00 1.91 1.82 0.00 3.39 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 31 G 8.21 3.82 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 0.00 0.00 0.00 32 D 8.71 4.66 0.00 2.73 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 33 A 7.47 4.10 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 34 G 8.95 3.82 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 0.00 0.00 0.00 35 R 7.89 3.71 0.00 1.63 2.05 0.00 3.01 0.00 0.00 3.26 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.54 0.00 36 D 7.89 5.06 0.00 2.75 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 37 K 9.37 4.45 0.00 1.76 1.45 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.36 1.52 7.81 38 H 9.89 4.35 0.00 3.32 3.46 0.00 5.47 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 39 E 7.49 4.78 0.00 1.83 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 2.19 2.07 0.00 40 F 8.31 5.01 0.00 3.11 3.14 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 41 H 6.68 3.47 0.00 2.88 3.02 0.00 5.85 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 N 8.68 4.21 0.00 2.75 2.81 0.00 0.00 6.80 8.16 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 43 H 7.95 4.91 0.00 3.34 3.18 0.00 5.90 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 E 8.75 4.12 0.00 1.98 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 2.33 2.31 0.00 45 P 0.00 4.50 0.00 2.19 2.09 0.00 3.79 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 2.01 2.01 0.00 46 L 8.02 4.17 0.00 1.66 1.65 0.92 0.94 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 47 G 8.20 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 48 K 8.26 4.57 0.00 1.76 1.75 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.38 1.41 7.81 49 S 8.08 4.46 0.00 3.77 3.70 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 50 G 8.90 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 51 F 8.61 4.98 0.00 3.17 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 K 8.22 4.21 0.00 1.65 1.58 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.21 1.36 7.81 53 R 7.96 4.47 0.00 1.72 1.85 0.00 3.27 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.35 0.00 54 P 0.00 4.28 0.00 2.22 2.22 0.00 3.77 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 55 Q 9.00 3.90 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.79 7.12 0.00 0.00 0.00 0.00 0.00 2.44 2.37 0.00 56 K 7.95 4.40 0.00 1.86 1.89 0.00 1.52 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.38 1.42 7.81 57 V 7.90 4.28 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 0.85 0.00 0.00 0.94 0.00 0.00 58 Q 7.62 4.49 0.00 2.19 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.45 0.00 0.00 0.00 0.00 0.00 2.28 2.42 0.00 59 E 8.52 4.44 0.00 1.97 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 2.44 2.30 0.00 60 E 8.21 4.44 0.00 1.91 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 2.13 2.18 0.00 61 A 8.25 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 A 8.82 4.47 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 63 T 8.07 5.41 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 64 I 7.71 4.29 1.86 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 1.34 1.24 0.95 0.00 0.00 65 D 8.54 5.19 0.00 2.75 2.76 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 66 V 8.54 3.64 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 0.91 0.00 0.00 0.99 0.00 0.00 67 R 7.89 3.84 0.00 2.00 2.01 0.00 3.09 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.67 0.00 68 E 7.98 3.86 0.00 2.03 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 69 I 7.77 3.74 1.98 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.50 0.90 0.00 0.00 70 D 8.42 4.37 0.00 2.83 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 71 E 8.01 4.19 0.00 1.99 1.98 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 2.34 2.52 0.00 72 N 8.13 4.97 0.00 2.62 2.71 0.00 0.00 6.82 7.22 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 73 V 7.49 3.29 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.39 0.00 0.00 74 T 7.46 3.98 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 1.19 0.00 0.00 75 L 7.85 4.12 0.00 1.61 1.78 0.96 0.95 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 76 L 7.96 4.45 0.00 1.80 1.64 0.88 0.64 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 77 A 7.49 4.13 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 78 A 7.77 4.52 1.29 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 0.00 0.00 0.00 79 D 8.09 4.75 0.00 2.82 2.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 7.59 4.26 0.00 3.06 2.60 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 0.00 0.00 0.00 0.00 81 V 8.21 4.61 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 0.45 0.00 0.00 0.97 0.00 0.00 82 A 7.82 4.35 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.93 3.75 0.00 2.06 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 0.00 2.27 2.35 0.00 *89 F 7.70 4.62 0.00 3.03 3.23 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 90 R 9.15 4.94 0.00 1.78 1.82 0.00 3.22 0.00 0.00 3.46 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 91 V 8.69 4.50 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 0.69 0.00 0.00 0.95 0.00 0.00 92 D 8.72 4.62 0.00 2.78 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 V 8.80 3.58 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 0.87 0.00 0.00 1.01 0.00 0.00 94 R 7.66 3.64 0.00 2.01 2.02 0.00 3.22 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 95 D 8.30 4.67 0.00 2.75 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 96 V 8.33 4.13 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 0.75 0.00 0.00 0.94 0.00 0.00 97 V 7.59 3.70 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 0.83 0.00 0.00 0.99 0.00 0.00 98 E 8.58 4.19 0.00 2.06 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 2.38 2.32 0.00 99 E 8.80 3.81 0.00 2.17 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 0.00 2.26 2.27 0.00 100 A 7.62 4.26 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 0.00 101 D 8.00 4.71 0.00 2.73 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 0.00 102 D 7.91 4.26 0.00 2.75 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 0.00 103 A 7.40 4.23 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 0.00 104 D 8.39 4.32 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 0.00 105 Y 6.11 4.69 0.00 3.24 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 0.00 106 V 8.18 4.88 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 0.92 0.00 0.00 0.93 0.00 0.00 107 K 9.06 4.68 0.00 2.02 1.65 0.00 1.89 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.39 7.81 108 V 8.26 4.67 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 1.06 0.00 0.00 0.85 0.00 0.00 109 L 9.29 4.75 0.00 1.76 1.57 0.93 0.85 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 0.00 110 G 7.96 4.41 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 0.00 111 A 8.01 4.50 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 0.00 112 G 8.83 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 0.00 113 Q 8.04 4.39 0.00 2.03 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 114 V 7.92 4.32 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 0.93 0.00 0.00 0.94 0.00 0.00 115 R 8.57 4.55 0.00 1.60 1.81 0.00 3.15 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.51 0.00 116 H 7.66 4.92 0.00 3.15 3.31 0.00 5.69 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.70 4.66 0.00 1.92 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.23 0.00 118 L 8.60 5.05 0.00 1.60 1.58 0.95 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 119 T 8.74 4.96 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 1.23 0.00 0.00 120 L 8.55 5.28 0.00 1.79 1.83 1.09 0.74 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 0.00 121 I 8.76 5.35 1.94 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.92 1.00 0.00 0.00 122 A 8.55 4.91 0.64 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 0.00 123 D 8.47 4.46 0.00 2.84 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 6.93 4.49 0.00 2.43 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 0.00 0.00 0.00 125 F 8.79 5.44 0.00 2.87 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 0.00 126 S 8.54 4.69 0.00 3.88 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 0.00 127 E 9.25 4.00 0.00 2.05 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.43 0.00 128 G 8.30 3.79 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 0.00 0.00 0.00 129 A 8.17 4.10 1.53 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 0.00 0.00 0.00 0.00 0.00 130 R 7.97 3.73 0.00 1.99 1.90 0.00 3.18 0.00 0.00 3.28 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.66 0.00 131 E 8.35 3.90 0.00 2.00 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 2.34 2.51 0.00 132 K 7.94 3.94 0.00 1.92 1.86 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.66 7.81 133 V 8.09 3.63 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 1.02 0.00 0.00 1.02 0.00 0.00 134 E 8.25 4.82 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.34 0.00 135 G 8.09 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 0.00 136 A 7.42 4.63 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 G 8.66 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 G 7.98 4.49 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 0.00 139 S 8.90 5.10 0.00 3.81 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 0.00 140 V 8.12 4.32 1.64 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 -0.37 0.00 0.00 0.04 0.00 0.00 141 E 9.50 4.53 0.00 2.08 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 2.24 2.22 0.00 142 L 8.59 4.78 0.00 1.74 1.66 1.13 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 0.00 143 T 8.75 4.01 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 1.27 0.00 0.00 144 D 8.85 4.47 0.00 2.71 2.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 L 8.20 3.89 0.00 1.60 1.88 0.96 0.98 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 0.00 146 G 7.34 3.84 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 0.00 0.00 0.00 147 E 8.40 4.37 0.00 2.00 1.98 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 2.35 2.50 0.00 148 E 8.00 4.63 0.00 1.85 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 2.19 2.52 0.00 149 R 7.64 4.33 0.00 1.79 1.90 0.00 3.42 0.00 0.00 3.14 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 150 Q 7.49 4.24 0.00 1.94 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.65 0.00 0.00 0.00 0.00 0.00 2.12 2.21 0.00 * Residues marked with a * may have inaccurate shift predictions.