NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 9 V 4.0929 8.0549 114.0569 61.2916 32.1612 174.8871 10 P 4.4171 0.0000 0.0000 61.6864 31.7232 174.4681 11 P 4.3392 0.0000 0.0000 62.0137 32.7145 175.9779 12 A 4.2130 8.3887 125.4862 51.9697 19.3297 176.2105 13 L 4.6955 8.0880 119.1620 53.8579 43.7113 175.6866 14 H 5.2241 8.6268 120.6384 53.9062 32.0332 172.6473 15 L 4.5000 9.0092 127.4201 54.3149 43.0237 175.8719 16 V 4.3294 9.4695 128.2801 62.5885 32.0548 174.5695 17 D 4.6346 8.2234 128.4761 51.0580 42.9124 176.6543 18 P 4.2717 0.0000 0.0000 66.2746 31.6576 178.7490 19 Q 3.9714 7.5247 115.1365 58.5126 28.9333 177.5237 20 I 4.5373 7.2468 118.8259 58.9509 39.4004 174.7808 21 Q 4.6967 8.2436 121.9863 54.7408 33.2064 173.5342 22 L 4.6319 8.6715 122.8187 54.7827 43.8831 175.5006 23 T 5.7449 8.3044 119.0659 60.9323 72.5524 172.7463 24 I 4.7118 8.2733 123.5064 59.0716 41.5290 175.1298 25 T 3.8617 8.5592 114.8697 61.8874 66.9701 171.2241 *39 D 4.3759 8.0246 126.9630 54.4999 42.4273 173.5678 40 P 4.1773 0.0000 0.0000 62.6076 32.2221 175.4096 41 K 4.4900 10.3716 118.1933 56.6032 34.7770 175.5573 42 V 5.0095 7.9659 122.5496 61.3067 34.7479 173.9397 43 Y 4.9349 8.9716 124.4789 55.2545 41.4413 173.6726 44 P 4.7715 0.0000 0.0000 63.1704 33.1455 174.8662 45 I 4.9584 7.9308 120.8529 59.8279 39.9064 174.8749 46 I 5.0299 8.6306 125.6862 59.4870 40.8035 174.3979 47 L 5.1414 8.8537 125.6828 52.5671 44.8401 177.2508 48 R 5.2158 8.2859 123.4973 57.1434 30.3322 176.6791 49 L 3.6613 7.6319 118.6217 55.0326 39.9706 176.8694 50 G 3.9404 8.3978 111.3587 46.6322 0.0000 172.8974 51 S 5.1555 7.7841 116.2205 57.1362 65.8554 172.6029 52 N 5.0062 8.1296 113.2622 54.6690 38.6376 175.1413 53 L 3.6911 6.9928 116.9898 54.0720 42.9315 177.1887 54 S 4.7859 8.4495 117.4909 56.3055 64.3633 172.6818 55 L 5.0029 8.1947 127.5627 53.3406 45.2044 175.0463 56 S 4.7982 8.5497 118.9123 57.0163 66.6217 172.5509 57 M 4.5365 8.8698 121.6869 54.3515 33.4742 174.7956 58 A 5.3415 8.4542 126.9414 49.9435 22.3236 175.6436 59 R 4.8068 8.3369 116.4531 54.7055 34.8694 175.0776 60 R 3.4881 8.5944 122.2433 56.4011 30.8644 176.8624 61 N 4.5107 8.0228 122.8666 52.3134 37.4148 174.0440 62 L 4.4588 7.9722 120.2753 54.1607 42.0436 176.8470 63 D 4.8466 7.7634 115.3492 52.6192 40.2283 174.6437 64 S 4.5750 7.6360 112.5240 57.7907 65.0957 173.4707 65 L 4.7169 8.2511 121.4136 55.0594 41.1276 176.7529 66 E 4.4220 8.1613 116.0969 56.3098 30.9293 176.2459 67 A 4.3113 7.6705 122.1084 51.0838 19.4933 177.2103 68 R 3.9381 8.6834 118.9250 57.0522 31.0496 177.2206 69 A 4.1210 8.4402 125.2481 53.3287 19.5686 176.9896 70 F 5.0549 8.0414 111.7578 55.8106 42.7234 175.2456 71 Q 4.2579 9.2967 125.9403 55.3288 28.7921 173.5536 72 S 4.4890 8.5231 120.0838 58.1240 63.3767 173.4054 73 T 4.4872 9.0030 126.1493 60.8692 69.6829 171.7971 74 P 4.5924 0.0000 0.0000 63.2280 32.0785 175.6727 75 I 4.5163 9.2202 125.5850 59.4192 39.1023 176.1317 76 V 3.7826 8.3965 126.7209 60.8131 31.0729 175.7388 77 V 4.0247 8.1594 125.8213 61.7676 31.7075 175.1328 78 Q 4.4844 8.9540 130.9822 55.9703 29.3545 175.4037 79 M 4.4222 8.0630 113.0830 56.1399 31.7960 175.4428 80 T 4.6602 9.0413 117.7943 61.8862 71.5022 173.3218 81 K 4.7596 8.5596 125.9029 55.4061 33.4798 175.6050 82 L 4.6860 8.6406 126.9348 53.4640 43.2595 176.0473 83 A 4.4603 8.8000 123.5547 53.0530 21.1505 177.1486 84 T 4.6089 7.7462 108.9630 60.3993 70.0060 174.4987 85 T 4.1619 8.2768 120.0933 63.2621 67.7681 175.6000 86 E 4.1700 7.9739 120.9712 58.9189 29.9094 177.3719 87 E 4.0619 7.5411 116.4762 58.6276 29.6318 177.2402 88 L 4.0928 7.1078 117.9737 53.6476 42.2650 174.3477 89 P 4.8186 0.0000 0.0000 61.5530 33.3246 175.2821 90 D 4.6294 8.6401 117.1261 56.2775 41.0546 177.0755 91 E 4.5645 7.9418 117.6273 54.3735 32.5270 174.4978 92 F 5.0988 7.7131 116.8070 56.6043 40.9427 173.1953 93 V 4.3679 8.5309 112.0045 59.6463 34.2058 175.7462 94 V 4.7198 8.2212 123.4695 61.2104 33.7233 175.7486 95 V 3.8525 8.8197 130.2711 62.4747 31.2777 174.5164 96 T 4.0843 8.3612 122.9886 62.3071 67.5501 176.0292 97 A 4.4610 8.1961 135.0000 50.9368 17.2422 177.4824 98 K 4.0956 7.8619 124.7726 57.8709 33.0460 176.8299 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 9 V 8.05 4.09 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 0.90 0.00 0.00 0.94 0.00 0.00 10 P 0.00 4.42 0.00 2.12 2.07 0.00 3.68 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 2.02 2.17 0.00 11 P 0.00 4.34 0.00 2.05 2.31 0.00 3.76 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 2.03 2.08 0.00 12 A 8.39 4.21 1.17 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 13 L 8.09 4.70 0.00 1.53 1.52 0.91 0.95 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 14 H 8.63 5.22 0.00 3.02 3.17 0.00 5.61 0.00 0.00 0.00 0.00 6.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 L 9.01 4.50 0.00 1.55 1.49 0.91 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 16 V 9.47 4.33 2.23 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 0.94 0.00 0.00 0.94 0.00 0.00 17 D 8.22 4.63 0.00 2.84 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 18 P 0.00 4.27 0.00 2.04 2.11 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 2.02 2.07 0.00 19 Q 7.52 3.97 0.00 2.17 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.68 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 20 I 7.25 4.54 1.88 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 0.68 0.93 0.00 0.00 21 Q 8.24 4.70 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.89 0.00 0.00 0.00 0.00 0.00 2.31 2.55 0.00 22 L 8.67 4.63 0.00 1.87 1.62 0.95 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 23 T 8.30 5.74 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 1.30 0.00 0.00 24 I 8.27 4.71 1.99 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 1.60 0.92 0.94 0.00 0.00 25 T 8.56 3.86 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 1.22 0.00 0.00 *39 D 8.02 4.38 0.00 2.95 2.62 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 40 P 0.00 4.18 0.00 2.21 2.13 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 41 K 10.37 4.49 0.00 1.73 1.98 0.00 1.49 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.62 1.79 7.81 42 V 7.97 5.01 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 0.93 0.00 0.00 0.92 0.00 0.00 43 Y 8.97 4.93 0.00 2.98 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 44 P 0.00 4.77 0.00 2.13 2.22 0.00 3.88 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.08 0.00 45 I 7.93 4.96 1.90 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 1.30 0.96 0.95 0.00 0.00 46 I 8.63 5.03 1.98 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.48 0.88 0.00 0.00 47 L 8.85 5.14 0.00 1.60 1.55 0.93 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 48 R 8.29 5.22 0.00 1.75 1.95 0.00 3.23 0.00 0.00 3.29 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.73 0.00 49 L 7.63 3.66 0.00 1.79 1.71 1.07 0.46 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 50 G 8.40 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 51 S 7.78 5.16 0.00 3.83 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 52 N 8.13 5.01 0.00 2.60 2.66 0.00 0.00 6.83 7.78 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 53 L 6.99 3.69 0.00 1.66 1.58 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.45 4.79 0.00 3.80 3.71 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 55 L 8.19 5.00 0.00 1.75 1.43 0.92 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.55 4.80 0.00 3.85 3.81 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 57 M 8.87 4.54 0.00 2.19 1.98 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.54 0.00 58 A 8.45 5.34 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 59 R 8.34 4.81 0.00 1.76 1.79 0.00 3.31 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.72 0.00 60 R 8.59 3.49 0.00 1.54 1.60 0.00 3.08 0.00 0.00 2.84 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 1.55 0.00 61 N 8.02 4.51 0.00 2.74 2.65 0.00 0.00 7.18 7.41 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 62 L 7.97 4.46 0.00 1.63 1.62 0.88 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.76 4.85 0.00 2.68 2.67 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 64 S 7.64 4.57 0.00 3.78 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 65 L 8.25 4.72 0.00 1.71 1.68 0.91 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.16 4.42 0.00 2.09 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 0.00 2.20 2.36 0.00 67 A 7.67 4.31 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 68 R 8.68 3.94 0.00 1.83 2.10 0.00 3.27 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 1.67 1.66 0.00 69 A 8.44 4.12 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 70 F 8.04 5.05 0.00 2.84 2.96 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 71 Q 9.30 4.26 0.00 2.09 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 7.00 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 72 S 8.52 4.49 0.00 3.96 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 73 T 9.00 4.49 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 1.22 0.00 0.00 74 P 0.00 4.59 0.00 1.93 2.03 0.00 3.66 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 2.04 2.16 0.00 75 I 9.22 4.52 1.95 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 1.29 0.66 0.92 0.00 0.00 76 V 8.40 3.78 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 0.69 0.00 0.00 0.93 0.00 0.00 77 V 8.16 4.02 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 0.82 0.00 0.00 0.98 0.00 0.00 78 Q 8.95 4.48 0.00 2.01 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.55 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 79 M 8.06 4.42 0.00 2.06 2.09 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.58 0.00 80 T 9.04 4.66 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 81 K 8.56 4.76 0.00 1.84 1.70 0.00 1.75 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.19 1.43 7.81 82 L 8.64 4.69 0.00 1.46 1.50 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 83 A 8.80 4.46 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 84 T 7.75 4.61 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 1.32 0.00 0.00 85 T 8.28 4.16 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 86 E 7.97 4.17 0.00 1.99 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 2.31 2.28 0.00 87 E 7.54 4.06 0.00 2.06 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 0.00 2.32 2.26 0.00 88 L 7.11 4.09 0.00 1.86 1.39 0.75 0.56 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 89 P 0.00 4.82 0.00 2.30 2.13 0.00 3.45 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.05 0.00 90 D 8.64 4.63 0.00 2.72 2.80 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 91 E 7.94 4.56 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 2.21 2.28 0.00 92 F 7.71 5.10 0.00 3.25 3.11 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 0.00 0.00 0.00 0.00 93 V 8.53 4.37 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 0.58 0.00 0.00 1.07 0.00 0.00 94 V 8.22 4.72 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 0.85 0.00 0.00 1.22 0.00 0.00 95 V 8.82 3.85 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 0.89 0.00 0.00 0.96 0.00 0.00 96 T 8.36 4.08 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 1.22 0.00 0.00 97 A 8.20 4.46 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 98 K 7.86 4.10 0.00 1.88 1.80 0.00 1.61 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.47 1.42 7.81 * Residues marked with a * may have inaccurate shift predictions.