NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0564 8.0393 120.4001 62.8457 32.8772 175.8624 3 D 4.6559 8.2062 126.7636 50.1142 43.0401 174.5179 4 P 4.3641 0.0000 0.0000 65.8858 31.6063 179.8030 5 V 3.7201 8.2757 118.6182 65.9377 31.5931 178.2798 6 G 3.6574 8.4890 105.0119 47.6110 0.0000 175.2680 7 F 4.3196 8.6229 122.8357 61.3089 39.4862 177.2013 8 A 3.7823 8.1847 120.3656 55.0011 18.1298 179.5152 9 E 3.9497 8.4232 117.2814 59.4595 29.6399 179.2924 10 A 4.0578 8.2325 120.6822 54.2430 18.3178 179.6504 11 W 3.8936 7.8578 127.2978 60.6510 30.8784 178.5020 12 K 4.0771 8.2622 118.3122 59.3292 31.2336 179.2319 13 A 3.9486 7.8423 120.2875 55.1727 18.3542 179.4314 14 Q 3.7227 7.3894 114.7881 57.4043 30.4101 177.0158 15 F 4.8326 7.8263 118.9855 54.5168 38.5359 174.3251 16 P 4.7634 0.0000 0.0000 64.0216 31.4769 177.5723 17 D 4.7491 8.0398 117.1396 54.3305 41.8445 175.9208 18 S 4.9455 8.3066 114.2977 55.9897 64.7565 172.8136 19 E 4.3882 8.6831 124.2842 54.2894 30.5168 174.5818 20 P 2.9700 0.0000 0.0000 61.2802 31.6898 174.3718 21 P 4.1379 0.0000 0.0000 62.7696 31.7952 175.5766 22 R 4.3931 8.0947 119.4915 54.3557 32.1540 175.6078 *24 E 4.0578 8.5302 120.5206 56.5382 30.8137 176.5042 25 L 4.8172 8.1154 124.0415 53.3981 42.0965 176.7228 26 R 4.2179 8.6138 118.3173 57.7294 31.3675 177.3456 27 S 4.6956 7.6943 110.5911 55.2295 66.5028 174.7545 28 V 3.6663 8.5635 120.1071 66.2395 31.1111 178.2224 29 G 3.6652 7.6083 105.7428 47.4169 0.0000 175.2434 30 D 4.3823 7.9465 121.2302 57.2328 40.7765 179.0280 31 I 3.6661 7.6688 119.5598 64.4007 36.6517 178.1438 32 E 3.9539 8.1576 119.5378 59.5348 29.2998 179.5035 33 Q 4.1023 8.0225 116.9503 58.7603 28.6058 177.9144 34 E 3.9236 8.0245 121.4561 58.9699 29.7749 178.3035 35 L 4.0272 8.1453 120.6998 57.5834 42.1230 178.5704 36 E 3.9407 8.3330 119.9345 59.1875 29.6747 178.6682 37 R 3.9267 8.3890 118.8534 59.0401 29.9890 178.5070 38 A 3.9435 7.8110 120.9165 54.9270 18.4102 179.1066 39 K 3.7446 7.8840 117.6829 59.9779 32.3177 178.6396 40 A 3.9967 8.0609 120.6249 55.1946 18.2759 179.5806 41 S 4.0705 7.8914 111.2490 61.5846 62.4607 176.4069 42 I 3.7372 8.4898 122.9734 64.3757 36.6455 178.4205 43 R 3.9047 7.8319 119.8315 59.1973 29.8389 178.5730 44 R 3.9005 7.8190 118.2605 59.4032 30.0519 178.5504 45 L 4.0739 8.0536 118.8165 57.6999 41.8001 179.2596 46 E 4.0272 8.3996 118.7269 59.1847 29.2342 179.2433 47 Q 3.9477 7.8661 119.8749 59.1801 29.1849 177.8449 48 E 3.9521 7.9897 119.3089 59.5115 29.4852 179.5475 49 V 3.6444 8.2357 118.6347 66.0943 31.4112 177.8712 50 N 4.4613 8.0587 115.8990 56.1873 38.1648 177.4956 51 Q 4.1308 8.1629 119.1935 58.6837 29.0900 178.1879 52 E 4.1916 8.3276 119.8586 59.4955 29.4284 179.3995 53 R 4.0227 7.8294 116.8257 59.2138 30.2629 178.6037 54 F 4.6270 8.1926 120.7703 61.0554 39.2470 177.6867 55 R 4.1793 7.7847 114.2802 57.0070 29.4229 178.4200 *57 I 4.0568 7.6523 121.4752 61.6556 39.3027 177.3588 58 Y 4.0750 7.6117 120.2609 60.6842 38.5778 178.2794 59 L 3.6696 8.2473 120.4753 57.7312 41.6596 179.5316 60 Q 3.9946 7.9234 117.0547 59.4277 28.3690 178.4261 61 T 3.8203 7.8426 117.3626 66.2656 68.5624 176.3689 62 L 3.9652 7.5022 121.1307 57.6694 41.5310 179.5562 63 L 3.9981 7.6989 118.5617 58.1225 40.3568 179.1606 64 A 4.0260 7.6687 122.9040 54.8157 18.0983 178.8611 65 K 4.3377 7.3453 114.3292 57.1603 32.8203 177.3635 66 E 4.5500 7.4870 115.8103 56.3990 32.2067 174.9140 67 K 4.1117 7.8352 123.8770 57.2629 32.1793 176.2396 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 2 V 8.04 4.06 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 1.14 0.00 0.00 1.00 0.00 0.00 3 D 8.21 4.66 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.36 0.00 2.33 2.35 0.00 3.71 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 2.10 2.03 0.00 5 V 8.28 3.72 2.35 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 1.17 0.00 0.00 0.96 0.00 0.00 6 G 8.49 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 7 F 8.62 4.32 0.00 3.20 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 8 A 8.18 3.78 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 8.42 3.95 0.00 2.23 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 10 A 8.23 4.06 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 11 W 7.86 3.89 0.00 3.19 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.26 4.08 0.00 1.91 1.90 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.81 7.81 13 A 7.84 3.95 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 Q 7.39 3.72 0.00 1.54 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 7.16 0.00 0.00 0.00 0.00 0.00 1.83 2.03 0.00 15 F 7.83 4.83 0.00 2.79 2.75 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 16 P 0.00 4.76 0.00 2.18 2.18 0.00 3.39 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.94 0.00 17 D 8.04 4.75 0.00 2.74 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 18 S 8.31 4.95 0.00 3.91 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 19 E 8.68 4.39 0.00 2.05 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 2.26 2.39 0.00 20 P 0.00 2.97 0.00 1.82 1.60 0.00 3.69 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.84 0.00 21 P 0.00 4.14 0.00 2.07 1.84 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.48 0.00 22 R 8.09 4.39 0.00 1.75 1.83 0.00 3.19 0.00 0.00 3.19 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.55 0.00 *24 E 8.53 4.06 0.00 1.96 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 2.19 2.27 0.00 25 L 8.12 4.82 0.00 1.52 1.51 0.77 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.61 4.22 0.00 1.95 1.97 0.00 3.11 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.54 0.00 27 S 7.69 4.70 0.00 3.92 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 28 V 8.56 3.67 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 1.03 0.00 0.00 0.92 0.00 0.00 29 G 7.61 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 D 7.95 4.38 0.00 2.95 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 31 I 7.67 3.67 1.96 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 1.83 0.89 0.88 0.00 0.00 32 E 8.16 3.95 0.00 2.14 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 2.32 2.52 0.00 33 Q 8.02 4.10 0.00 2.31 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.82 0.00 0.00 0.00 0.00 0.00 2.57 2.35 0.00 34 E 8.02 3.92 0.00 2.34 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.34 0.00 35 L 8.15 4.03 0.00 1.99 1.87 0.94 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 36 E 8.33 3.94 0.00 2.11 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 37 R 8.39 3.93 0.00 1.96 2.06 0.00 3.15 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.65 0.00 38 A 7.81 3.94 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 39 K 7.88 3.74 0.00 1.97 2.00 0.00 1.65 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.49 7.81 40 A 8.06 4.00 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 41 S 7.89 4.07 0.00 3.92 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 8.49 3.74 2.03 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 1.41 0.62 0.92 0.00 0.00 43 R 7.83 3.90 0.00 1.83 2.11 0.00 3.09 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.63 0.00 44 R 7.82 3.90 0.00 2.15 1.91 0.00 3.19 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.72 0.00 45 L 8.05 4.07 0.00 1.74 1.69 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.40 4.03 0.00 2.01 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 2.53 0.00 47 Q 7.87 3.95 0.00 2.08 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 48 E 7.99 3.95 0.00 2.19 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 2.34 2.65 0.00 49 V 8.24 3.64 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 1.05 0.00 0.00 1.02 0.00 0.00 50 N 8.06 4.46 0.00 2.96 2.82 0.00 0.00 7.00 6.64 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 51 Q 8.16 4.13 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.98 0.00 0.00 0.00 0.00 0.00 2.40 2.67 0.00 52 E 8.33 4.19 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 2.59 2.51 0.00 53 R 7.83 4.02 0.00 1.88 2.07 0.00 3.19 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.90 0.00 54 F 8.19 4.63 0.00 3.17 3.26 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 55 R 7.78 4.18 0.00 2.22 1.96 0.00 3.46 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 1.70 1.99 0.00 *57 I 7.65 4.06 1.89 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 1.51 1.02 0.94 0.00 0.00 58 Y 7.61 4.07 0.00 2.59 2.99 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 0.00 0.00 0.00 59 L 8.25 3.67 0.00 1.64 1.61 0.92 0.53 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 60 Q 7.92 3.99 0.00 2.24 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.90 0.00 0.00 0.00 0.00 0.00 2.38 2.52 0.00 61 T 7.84 3.82 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 1.19 0.00 0.00 62 L 7.50 3.97 0.00 1.61 1.50 0.39 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 63 L 7.70 4.00 0.00 1.86 1.87 0.89 0.59 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 64 A 7.67 4.03 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 65 K 7.35 4.34 0.00 1.85 1.88 0.00 1.57 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.58 1.40 7.81 66 E 7.49 4.55 0.00 1.84 1.86 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 2.19 2.21 0.00 67 K 7.84 4.11 0.00 2.02 1.65 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.89 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.43 1.41 7.81 * Residues marked with a * may have inaccurate shift predictions.