NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 G 3.9714 8.3549 109.7391 45.7127 0.0000 172.4725 1 T 4.5250 8.1379 114.8833 61.1159 71.6049 171.9085 2 I 4.7509 9.2808 127.7062 59.5584 40.6457 174.4266 3 I 4.5532 8.7852 127.8402 59.8276 39.6709 174.7523 4 T 5.1035 8.6664 122.8554 61.8926 71.0938 173.4014 5 V 4.4772 9.3056 127.0640 61.2271 34.6809 174.1662 6 T 5.1246 8.3971 123.3717 61.9101 70.4325 173.3943 7 A 4.5812 8.6396 126.2749 50.8617 23.3663 174.6086 8 Q 4.5734 8.5220 120.9330 55.2680 30.2324 175.2647 9 A 4.4913 8.8696 129.7957 51.6113 19.0203 176.0046 10 N 4.9398 9.4859 119.7537 51.9346 40.6504 175.1464 11 E 4.0225 8.6998 116.4471 59.3927 29.5813 178.8688 12 K 4.1542 8.1352 117.9679 58.3601 32.3523 177.0944 13 N 5.0501 8.1774 112.8202 52.2767 39.2392 174.0066 14 T 5.1040 8.0963 116.1148 62.0497 71.9855 173.5678 15 R 4.7274 8.7979 123.5056 54.7006 34.6910 174.2279 16 T 5.0389 8.4462 118.0522 62.2307 70.1096 174.4835 17 V 4.7141 8.8245 119.6657 59.1767 35.8894 175.1284 18 S 4.7747 8.6443 117.9222 58.4519 64.1852 173.3089 19 T 4.7100 8.4191 111.7372 59.4937 71.8699 174.5555 20 A 4.0772 8.5995 123.7831 54.3371 18.3390 178.3714 21 K 4.3622 8.0222 114.6679 55.9197 32.5656 177.5425 22 G 3.8135 8.0215 109.5007 44.1752 0.0000 172.5545 23 D 4.7198 8.5584 117.6452 55.2830 41.2044 176.9546 24 K 4.7841 9.1498 121.8669 54.3884 36.5285 175.8441 25 K 4.6815 8.7040 123.3201 56.3942 33.7879 175.8398 26 I 4.5317 8.8632 125.2083 59.4608 40.2769 174.3854 27 I 4.8049 8.4209 127.4396 59.4223 40.4192 174.1151 28 S 5.2362 8.8473 122.8054 56.7389 64.2778 173.5145 29 V 4.8262 9.2291 120.7418 58.5754 35.4555 173.4108 30 P 3.5491 0.0000 0.0000 62.6303 31.3848 176.3335 31 L 4.2730 8.0119 123.4600 55.8348 42.2363 176.1115 32 F 4.5994 6.7124 111.8729 56.5313 39.9860 172.2804 33 E 4.6547 8.7268 120.7019 54.5019 31.6469 174.7749 34 K 4.8031 7.9927 118.0230 55.1617 36.0033 176.4599 35 E 3.8100 8.7314 118.1708 59.1093 29.4528 177.6919 *40 V 3.8176 7.4998 118.5397 62.3184 31.4696 174.2489 41 K 4.4045 8.4126 126.6436 55.6750 33.8620 176.6644 42 V 3.6502 8.2340 121.7582 62.0261 32.4343 175.4192 43 A 4.3022 7.2595 128.5038 52.0256 19.6705 175.5016 44 Y 4.7770 8.6739 117.7513 56.0407 41.1078 175.3908 45 G 4.4043 9.4930 110.6589 44.7239 0.0000 172.3350 46 S 6.0955 9.2934 117.6954 55.9745 66.2086 173.1809 47 A 4.9246 8.0386 122.9564 50.7259 22.6011 177.1298 48 F 5.0194 8.7999 119.4366 55.6300 41.0606 173.1408 *50 P 4.2881 0.0000 0.0000 63.2224 32.1445 177.0689 51 D 4.4285 8.7572 119.2969 57.3643 40.8841 178.1987 52 F 4.4466 8.2129 112.7661 58.8241 38.4212 175.9622 53 I 3.5986 6.3640 122.4548 61.3056 39.0626 172.8354 54 Q 4.1192 9.7283 121.2972 56.2393 29.0429 177.6644 *56 G 3.9352 9.2611 115.8072 46.5829 0.0000 174.2104 57 D 4.6168 8.2029 121.0130 54.7086 42.3385 175.4605 58 T 4.8656 8.2299 117.9879 62.5385 70.6247 174.2608 59 V 4.8869 8.7503 118.4103 59.8743 36.6428 174.5948 60 T 4.9285 8.9540 120.0039 62.0578 70.7042 173.5943 61 V 4.5979 8.9240 127.8181 61.1703 33.5490 174.4594 62 S 5.1605 9.4336 122.6450 56.0225 65.7503 173.4653 63 G 4.3091 8.8529 113.3467 46.2275 0.0000 171.7376 64 R 4.8244 8.0469 117.9776 56.0579 31.2359 176.6224 65 V 4.7603 8.1437 114.1039 59.6423 35.0573 174.8699 66 Q 4.7435 9.1917 123.2256 54.1099 31.2883 174.3237 67 A 4.7740 8.5861 125.0717 50.5159 20.5498 176.0739 68 K 4.0988 8.8857 120.2511 57.6539 34.8538 176.7943 *75 N 4.4902 7.7964 114.5591 53.1536 40.4850 173.1122 76 Y 5.0959 8.4400 119.4039 56.3363 41.5474 174.0910 77 N 5.5502 9.0589 121.8075 51.1060 42.2264 174.3074 78 F 4.5831 9.2269 122.1368 57.6294 39.9142 174.8441 79 V 4.1795 8.7066 122.8390 61.6097 33.2553 175.7930 80 F 4.0156 8.3590 127.6838 57.8234 36.5747 173.9378 81 P 4.8088 0.0000 0.0000 63.4270 32.6226 176.8687 82 T 4.5133 8.9951 119.0559 62.6751 70.2069 173.8817 83 V 4.8256 8.4605 125.5784 61.1116 34.1261 174.2653 84 E 4.9208 8.8983 126.9279 54.1775 32.9185 175.2660 85 K 4.4351 9.0266 125.5183 56.4028 33.0953 175.8660 86 V 4.3881 8.4328 127.7652 61.2471 33.1086 174.8554 87 F 4.8472 8.8815 125.6333 55.7851 41.1916 175.7763 88 I 4.1639 8.3565 123.8822 61.5540 37.4604 175.4898 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 0 G 8.35 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 0.00 0.00 0.00 1 T 8.14 4.52 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 2 I 9.28 4.75 1.91 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 1.38 0.92 0.99 0.00 0.00 3 I 8.79 4.55 1.81 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.62 0.98 0.00 0.00 4 T 8.67 5.10 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 1.24 0.00 0.00 5 V 9.31 4.48 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 0.97 0.00 0.00 1.05 0.00 0.00 6 T 8.40 5.12 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 1.19 0.00 0.00 7 A 8.64 4.58 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 8 Q 8.52 4.57 0.00 2.05 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.02 0.00 0.00 0.00 0.00 0.00 2.27 2.56 0.00 9 A 8.87 4.49 1.15 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 0.00 0.00 0.00 0.00 0.00 10 N 9.49 4.94 0.00 2.83 2.88 0.00 0.00 6.62 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 11 E 8.70 4.02 0.00 1.94 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 2.30 2.37 0.00 12 K 8.14 4.15 0.00 1.92 1.83 0.00 1.63 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.35 7.81 13 N 8.18 5.05 0.00 3.00 2.97 0.00 0.00 6.05 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 14 T 8.10 5.10 4.31 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 1.19 0.00 0.00 15 R 8.80 4.73 0.00 1.67 1.73 0.00 3.07 0.00 0.00 3.13 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.52 0.00 16 T 8.45 5.04 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 1.22 0.00 0.00 17 V 8.82 4.71 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 0.75 0.00 0.00 1.10 0.00 0.00 18 S 8.64 4.77 0.00 3.89 3.87 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 19 T 8.42 4.71 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 1.35 0.00 0.00 20 A 8.60 4.08 1.28 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 21 K 8.02 4.36 0.00 1.66 1.75 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.93 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.28 1.39 7.81 22 G 8.02 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 0.00 0.00 0.00 23 D 8.56 4.72 0.00 2.57 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 24 K 9.15 4.78 0.00 1.91 1.97 0.00 1.74 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.57 1.50 7.81 25 K 8.70 4.68 0.00 1.68 1.67 0.00 1.52 0.00 0.00 1.75 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.49 1.44 7.81 26 I 8.86 4.53 1.67 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.05 0.83 0.64 0.00 0.00 27 I 8.42 4.80 1.78 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.49 0.85 0.00 0.00 28 S 8.85 5.24 0.00 3.85 3.69 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 29 V 9.23 4.83 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 0.74 0.00 0.00 1.06 0.00 0.00 30 P 0.00 3.55 0.00 1.61 1.26 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 1.86 0.00 31 L 8.01 4.27 0.00 1.03 1.60 0.42 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 32 F 6.71 4.60 0.00 2.97 2.92 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 33 E 8.73 4.65 0.00 2.00 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 2.22 2.28 0.00 34 K 7.99 4.80 0.00 1.84 1.83 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.32 1.46 7.81 35 E 8.73 3.81 0.00 1.99 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 2.32 2.30 0.00 *40 V 7.50 3.82 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 0.88 0.00 0.00 0.95 0.00 0.00 41 K 8.41 4.40 0.00 1.97 1.84 0.00 1.70 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 V 8.23 3.65 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 0.10 0.00 0.00 0.95 0.00 0.00 43 A 7.26 4.30 0.74 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 0.00 0.00 44 Y 8.67 4.78 0.00 2.80 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 45 G 9.49 4.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.29 6.10 0.00 3.93 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 47 A 8.04 4.92 0.97 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 0.00 0.00 48 F 8.80 5.02 0.00 3.05 3.02 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 *50 P 0.00 4.29 0.00 2.37 2.38 0.00 3.58 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 2.11 0.00 51 D 8.76 4.43 0.00 2.77 2.83 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 52 F 8.21 4.45 0.00 3.17 3.21 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 53 I 6.36 3.60 1.65 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.21 0.39 0.71 0.00 0.00 54 Q 9.73 4.12 0.00 2.02 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.40 0.00 0.00 0.00 0.00 0.00 2.24 2.42 0.00 *56 G 9.26 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 57 D 8.20 4.62 0.00 2.59 2.46 0.00 0.00 0.00 0.00 0.00 0.00 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 8.23 4.87 4.15 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 0.00 0.00 1.21 0.00 0.00 59 V 8.75 4.89 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 0.70 0.00 0.00 0.83 0.00 0.00 60 T 8.95 4.93 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 61 V 8.92 4.60 1.66 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 -0.11 0.00 0.00 0.71 0.00 0.00 62 S 9.43 5.16 0.00 3.92 3.68 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 63 G 8.85 4.31 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 0.00 64 R 8.05 4.82 0.00 1.86 1.90 0.00 3.43 0.00 0.00 3.44 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.59 0.00 65 V 8.14 4.76 1.85 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 0.02 0.00 0.00 0.85 0.00 0.00 66 Q 9.19 4.74 0.00 2.04 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.79 0.00 0.00 0.00 0.00 0.00 2.27 2.28 0.00 67 A 8.59 4.77 1.10 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 0.00 0.00 68 K 8.89 4.10 0.00 1.55 1.72 0.00 1.68 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.30 1.30 7.81 *75 N 7.80 4.49 0.00 2.55 2.68 0.00 0.00 6.86 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Y 8.44 5.10 0.00 3.15 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 77 N 9.06 5.55 0.00 2.61 2.74 0.00 0.00 6.58 8.95 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 78 F 9.23 4.58 0.00 2.94 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 79 V 8.71 4.18 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 0.66 0.00 0.00 0.92 0.00 0.00 80 F 8.36 4.02 0.00 3.22 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 81 P 0.00 4.81 0.00 2.04 2.15 0.00 3.88 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 2.07 2.11 0.00 82 T 9.00 4.51 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 1.26 0.00 0.00 83 V 8.46 4.83 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 0.73 0.00 0.00 0.87 0.00 0.00 84 E 8.90 4.92 0.00 1.97 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 2.28 2.26 0.00 85 K 9.03 4.44 0.00 2.08 1.81 0.00 1.92 0.00 0.00 1.73 0.00 0.00 2.33 0.00 0.00 2.94 0.00 0.00 0.00 0.00 0.55 1.18 7.81 86 V 8.43 4.39 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 0.83 0.00 0.00 0.91 0.00 0.00 87 F 8.88 4.85 0.00 3.08 2.98 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 88 I 8.36 4.16 1.90 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 1.29 0.51 0.94 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.