NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 T 4.3583 8.1593 110.9393 62.8106 69.9262 173.9789 11 K 4.4347 8.0535 108.2318 56.4873 33.5339 172.2865 12 N 4.7927 8.3359 118.7419 55.1352 44.8411 175.2130 13 G 3.8987 7.9705 107.6450 46.1251 0.0000 172.1097 14 R 4.5064 7.1550 121.8142 54.7136 34.0844 174.5065 15 D 4.5733 8.1391 119.5133 53.6376 43.8897 176.3981 16 S 4.2446 8.7738 122.2566 57.8369 63.6512 174.0217 17 Q 4.1241 8.4760 121.2927 55.6622 28.9684 175.7939 18 A 4.1297 8.2682 121.7652 52.3123 18.7435 178.0811 19 K 4.0863 8.7043 121.8900 56.7492 33.2356 177.0601 20 R 3.8211 7.7586 116.5619 57.0612 27.3676 175.1865 21 L 4.5601 7.5176 120.4681 55.4553 43.3800 175.8549 22 G 3.7616 8.1449 108.2320 45.2381 0.0000 171.7226 23 V 3.7791 8.0762 119.3176 62.8506 31.7872 176.5146 24 K 4.0759 8.4878 126.8625 58.3782 32.7772 177.2035 25 R 4.5298 8.4551 117.0487 54.8640 31.9355 175.4028 26 Y 5.0747 9.1679 117.9627 55.6445 41.2412 175.1756 27 E 4.6548 8.4807 121.6510 57.4154 30.2616 176.9656 28 G 3.9756 9.0701 112.2623 45.6913 0.0000 172.5404 29 Q 4.7414 7.5087 117.8361 53.5878 31.0588 175.7069 30 V 4.3513 8.4167 123.5521 63.4127 32.4962 175.3754 31 V 4.5396 8.3472 117.4772 59.9701 36.1739 175.9519 32 R 4.5672 8.7183 125.1599 56.2258 30.1816 176.6057 33 A 5.0435 7.9430 127.5700 54.5386 19.7523 175.6189 34 G 4.1984 9.3067 109.3688 45.8554 0.0000 172.7693 35 N 4.2391 8.5162 118.4435 53.8631 39.5823 174.0447 36 I 4.2338 8.5316 124.6475 61.8771 36.1409 175.8910 37 L 4.1342 8.9450 128.6513 57.4169 42.7409 177.9395 38 V 4.4623 7.4291 117.3649 61.8014 35.0629 173.0378 39 R 4.9243 8.4159 126.3775 55.6030 31.8793 175.3889 40 Q 4.8826 8.3417 118.8132 55.2437 31.4326 174.8423 41 R 4.2886 8.8684 118.8494 58.7323 31.1805 177.5505 42 G 3.9981 7.8792 104.1836 45.9088 0.0000 172.7098 43 T 4.5394 7.9711 115.6474 62.4626 70.5843 175.6815 44 R 3.8799 8.2452 121.7841 58.6894 30.4633 177.1382 45 F 4.8988 8.3803 115.4424 55.8125 42.7855 174.4948 46 K 4.4561 9.0611 122.4519 53.5238 34.3819 176.3521 47 P 4.9153 0.0000 0.0000 62.3344 33.5944 175.4005 48 G 4.1995 8.5308 104.3633 45.2926 0.0000 170.7038 49 K 3.7285 8.2785 121.3068 57.7697 32.1506 176.7424 50 N 4.3228 8.8270 123.4537 53.5624 35.6673 175.3333 51 V 4.3294 7.4078 116.6759 62.0514 34.8315 174.5092 52 G 3.9151 7.7844 115.8481 44.8516 0.0000 171.1395 53 M 6.2300 7.8171 115.6172 53.9499 34.7751 174.5288 54 G 4.4372 8.4352 108.1261 43.8146 0.0000 173.4858 55 R 3.6956 8.7144 117.5337 59.5142 29.9386 177.8441 56 D 4.2570 7.8074 112.5705 53.4303 39.1505 175.9662 57 F 4.1281 7.6434 116.4680 59.1393 36.7917 175.0133 58 T 4.2220 8.0312 117.6837 63.6840 69.6535 173.4300 59 L 5.0837 9.0487 127.3194 53.6717 43.6412 175.7742 60 F 5.5452 8.4133 117.3879 55.0534 41.6283 173.8797 61 A 4.3001 9.1289 123.5861 52.4943 18.9324 177.9080 62 L 4.5809 8.1309 118.0809 55.0071 43.7577 176.2429 63 V 4.6697 7.4844 111.0237 59.6554 36.1330 173.2616 64 D 5.3268 8.2027 119.5457 51.0708 43.4238 176.1589 65 G 4.3764 7.2428 109.9080 46.2300 0.0000 172.3717 66 V 5.5085 7.4614 122.9323 59.7561 35.2966 175.0151 67 V 4.3250 8.3121 125.8736 62.9141 33.0754 174.4577 68 E 5.0525 8.9138 123.5704 54.9999 33.1882 173.7808 69 F 5.2390 9.1514 120.5259 56.1009 41.8230 175.7643 70 Q 4.4487 9.3153 123.8885 54.5799 31.0824 173.0574 71 D 4.8939 8.7480 125.7285 53.7555 42.6978 176.3094 72 R 4.7470 8.8092 124.1073 55.9931 33.0661 180.1291 73 G 3.9770 8.9772 107.7839 46.7733 0.0000 176.4933 74 R 3.8442 9.4539 116.5415 59.3868 31.1272 178.1158 75 L 4.0873 7.7801 115.9073 59.0017 41.9912 176.1346 76 G 3.5781 6.9036 102.7341 43.8292 0.0000 171.8284 77 R 4.6292 8.3081 119.2714 55.4118 31.2164 175.8006 78 Y 5.0753 9.0160 122.1948 55.8253 40.7916 175.1834 79 V 4.5283 8.3328 120.6415 61.7371 34.7116 174.1052 80 H 5.0087 8.8185 123.1277 54.4820 34.1933 172.2015 81 V 5.4345 8.5186 119.3787 60.1929 33.1328 175.2175 82 R 4.3175 8.5884 125.9490 54.9850 30.3912 174.3440 83 P 4.8303 0.0000 0.0000 62.2750 32.1686 175.5184 84 L 4.4591 7.9299 118.7042 55.8811 42.6078 173.9794 85 A 4.0940 8.4882 122.2456 53.1865 18.9734 176.3779 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 10 T 8.16 4.36 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 11 K 8.05 4.43 0.00 1.90 1.81 0.00 1.54 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.24 1.52 7.81 12 N 8.34 4.79 0.00 2.67 2.82 0.00 0.00 7.17 7.65 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 13 G 7.97 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 14 R 7.15 4.51 0.00 1.92 1.79 0.00 3.30 0.00 0.00 3.15 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.58 0.00 15 D 8.14 4.57 0.00 2.62 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 0.00 0.00 0.00 16 S 8.77 4.24 0.00 4.02 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 17 Q 8.48 4.12 0.00 2.18 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 18 A 8.27 4.13 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 19 K 8.70 4.09 0.00 1.77 1.89 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.41 7.81 20 R 7.76 3.82 0.00 1.94 1.96 0.00 3.20 0.00 0.00 3.23 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 21 L 7.52 4.56 0.00 1.64 1.60 0.91 1.11 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 22 G 8.14 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 0.00 0.00 0.00 23 V 8.08 3.78 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 0.36 0.00 0.00 0.78 0.00 0.00 24 K 8.49 4.08 0.00 1.83 1.75 0.00 1.77 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.35 7.81 25 R 8.46 4.53 0.00 1.75 1.78 0.00 3.08 0.00 0.00 3.17 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.73 0.00 26 Y 9.17 5.07 0.00 3.06 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 27 E 8.48 4.65 0.00 2.52 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 2.42 2.68 0.00 28 G 9.07 3.98 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 0.00 0.00 0.00 29 Q 7.51 4.74 0.00 2.35 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.91 0.00 0.00 0.00 0.00 0.00 2.37 2.47 0.00 30 V 8.42 4.35 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 0.78 0.00 0.00 0.95 0.00 0.00 31 V 8.35 4.54 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 0.80 0.00 0.00 0.97 0.00 0.00 32 R 8.72 4.57 0.00 2.06 1.79 0.00 3.24 0.00 0.00 3.35 7.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.58 0.00 33 A 7.94 5.04 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 34 G 9.31 4.20 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 0.00 35 N 8.52 4.24 0.00 2.68 2.81 0.00 0.00 7.14 7.28 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 36 I 8.53 4.23 1.87 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 1.35 0.43 0.96 0.00 0.00 37 L 8.95 4.13 0.00 1.50 1.57 0.79 0.55 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 38 V 7.43 4.46 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 0.86 0.00 0.00 0.71 0.00 0.00 39 R 8.42 4.92 0.00 1.85 1.84 0.00 3.17 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.57 0.00 40 Q 8.34 4.88 0.00 2.12 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 7.10 0.00 0.00 0.00 0.00 0.00 2.49 2.55 0.00 41 R 8.87 4.29 0.00 1.87 2.08 0.00 3.23 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.68 0.00 42 G 7.88 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 0.00 0.00 0.00 0.00 43 T 7.97 4.54 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 1.02 0.00 0.00 44 R 8.25 3.88 0.00 2.03 1.83 0.00 3.20 0.00 0.00 3.31 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 45 F 8.38 4.90 0.00 2.91 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 46 K 9.06 4.46 0.00 0.79 1.21 0.00 0.75 0.00 0.00 1.39 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.11 0.92 7.81 47 P 0.00 4.92 0.00 2.18 1.98 0.00 3.75 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.01 0.00 48 G 8.53 4.20 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 0.00 49 K 8.28 3.73 0.00 1.78 1.74 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.42 1.22 7.81 50 N 8.83 4.32 0.00 3.00 2.82 0.00 0.00 6.48 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 51 V 7.41 4.33 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 0.60 0.00 0.00 0.86 0.00 0.00 52 G 7.78 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 53 M 7.82 6.23 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.48 0.00 54 G 8.44 4.44 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 55 R 8.71 3.70 0.00 1.69 1.86 0.00 3.15 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 56 D 7.81 4.26 0.00 2.74 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 57 F 7.64 4.13 0.00 3.32 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 58 T 8.03 4.22 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 1.29 0.00 0.00 59 L 9.05 5.08 0.00 1.72 1.51 0.87 0.84 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 60 F 8.41 5.55 0.00 3.43 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 A 9.13 4.30 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 62 L 8.13 4.58 0.00 1.50 1.69 0.81 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 63 V 7.48 4.67 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 0.94 0.00 0.00 0.92 0.00 0.00 64 D 8.20 5.33 0.00 2.65 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 65 G 7.24 4.38 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 0.00 66 V 7.46 5.51 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 0.96 0.00 0.00 0.95 0.00 0.00 67 V 8.31 4.32 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 0.59 0.00 0.00 0.89 0.00 0.00 68 E 8.91 5.05 0.00 2.10 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 2.43 2.37 0.00 69 F 9.15 5.24 0.00 2.97 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 70 Q 9.32 4.45 0.00 2.20 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 6.99 0.00 0.00 0.00 0.00 0.00 2.34 2.37 0.00 71 D 8.75 4.89 0.00 2.79 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 72 R 8.81 4.75 0.00 2.15 1.88 0.00 3.29 0.00 0.00 3.35 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.83 0.00 73 G 8.98 3.98 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 0.00 0.00 0.00 74 R 9.45 3.84 0.00 1.83 2.02 0.00 3.39 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.61 0.00 75 L 7.78 4.09 0.00 1.91 2.09 0.90 1.02 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 76 G 6.90 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 77 R 8.31 4.63 0.00 1.49 1.96 0.00 2.91 0.00 0.00 2.76 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.48 0.00 78 Y 9.02 5.08 0.00 3.10 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 79 V 8.33 4.53 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 0.10 0.00 0.00 0.73 0.00 0.00 80 H 8.82 5.01 0.00 3.02 3.29 0.00 5.61 0.00 0.00 0.00 0.00 6.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.52 5.43 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 0.82 0.00 0.00 0.87 0.00 0.00 82 R 8.59 4.32 0.00 1.93 2.07 0.00 3.03 0.00 0.00 3.40 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.63 0.00 83 P 0.00 4.83 0.00 2.09 2.09 0.00 3.40 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.79 0.00 84 L 7.93 4.46 0.00 1.59 1.63 0.93 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 85 A 8.49 4.09 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