NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 H 4.7534 8.4444 120.3946 55.5638 31.8924 173.1177 6 L 4.4972 7.6146 119.6825 52.8003 44.9568 174.5734 7 H 4.5894 8.7646 126.9251 53.7560 29.2812 172.9177 8 L 3.9214 7.9986 123.6467 54.6965 42.8246 176.8012 9 D 4.3438 8.7521 123.9042 54.2331 42.0655 175.1907 10 P 4.2572 0.0000 0.0000 65.8046 31.3351 178.2553 11 K 3.8640 8.7093 118.5571 59.6161 32.1595 179.0865 12 V 3.5778 7.5971 117.8762 65.7978 31.4958 177.5167 13 R 3.8546 8.3256 118.9108 59.8506 29.9708 178.4430 14 E 3.9564 8.8526 118.3394 59.0971 29.3446 179.0998 15 E 3.9363 8.0135 119.0689 59.1678 29.7789 178.6772 16 A 4.0221 8.5644 121.2926 54.9033 18.3053 179.6121 17 R 3.8177 8.2675 117.6249 59.5164 30.2115 178.6959 18 R 3.8671 8.0434 118.4207 59.6947 30.1364 178.7492 19 R 4.1465 7.8829 119.0861 58.6620 29.9385 179.1235 20 L 4.0548 8.0875 118.9513 57.5698 41.5494 179.3290 21 L 3.9818 8.2703 119.6313 57.8253 41.4292 179.7795 22 S 4.1048 8.2280 114.0186 61.2439 62.9586 176.3585 23 A 4.0153 8.0561 124.4516 54.8339 18.1592 179.5252 24 K 3.9886 8.8508 118.6855 59.5589 32.1238 179.2192 25 G 3.6851 8.3583 106.4094 46.0028 0.0000 175.1895 26 H 4.3170 8.7149 121.1321 58.8663 29.8733 177.1801 27 L 3.9765 8.1213 122.4257 58.0241 41.7302 178.7474 28 E 4.1565 8.5308 118.6797 58.8505 29.0874 179.5326 29 G 3.6043 7.5716 105.6477 47.6804 0.0000 175.6532 30 I 3.8564 7.4114 120.9537 64.1323 37.1993 178.1047 31 L 4.1818 7.7662 118.6524 57.7225 41.6538 179.9751 32 R 4.1497 7.6962 116.5165 56.4714 30.0140 178.1465 *34 L 4.2668 7.8501 117.6728 54.3668 43.4597 177.5241 35 E 4.2613 8.2991 118.1147 57.5455 30.0369 176.6482 36 D 4.5796 7.8886 120.2912 54.5989 41.6197 176.5463 37 E 4.2798 8.6784 118.6829 57.7519 30.3548 178.7175 38 K 4.6298 7.6279 118.0096 54.3815 32.5061 181.2899 39 V 3.6311 7.5984 119.8186 62.3794 32.2566 175.3988 40 Y 4.9222 7.9559 120.4994 56.7057 40.6502 176.4304 41 C 4.0764 8.7977 122.0934 63.3240 28.2992 176.7516 42 V 3.6517 7.8911 118.9571 66.1190 30.9532 177.6488 43 D 4.3655 8.1396 118.2267 57.1898 40.6807 178.6236 44 V 3.5673 7.5977 118.7288 66.1054 31.5814 178.0160 45 L 3.9860 7.9814 118.6110 57.7393 41.5519 179.8154 46 K 3.9875 8.3456 118.5423 59.7153 32.0678 179.5737 47 Q 4.0774 8.4076 118.5683 58.7718 28.5418 178.7853 48 L 3.9845 8.2449 120.5291 57.7391 41.6478 179.6135 49 K 4.2348 8.4200 119.5491 58.7709 31.9844 179.3044 50 A 4.0166 7.8776 120.9326 55.0586 18.3227 179.8254 51 V 3.5966 7.8624 116.8307 66.2087 31.2335 178.1168 52 E 4.0762 8.4549 118.5346 59.3769 29.1726 179.5296 53 G 3.7073 8.3425 105.5995 47.8142 0.0000 175.6204 54 A 4.0538 8.0359 122.8420 54.8203 18.3979 179.7726 55 L 3.9832 7.9166 117.7389 57.9510 41.5859 179.3315 56 D 4.3968 8.2980 118.9815 57.4473 40.5077 179.0712 57 R 4.0678 7.5380 117.8130 59.3264 30.1398 179.0220 58 V 3.8494 7.5248 117.2674 65.7141 31.7293 178.0975 59 G 3.7865 8.2071 105.7439 47.5367 0.0000 176.4922 60 E 4.2232 8.2390 119.4655 56.4763 29.3672 179.1983 *62 V 4.0251 7.8001 121.0030 62.9312 33.7081 177.2482 63 L 3.9607 8.7161 121.4193 58.1022 41.8953 178.7554 64 R 3.8900 8.0920 118.4657 59.5573 29.8512 178.3550 65 A 4.0125 7.9451 119.9824 55.2509 18.4570 178.9422 66 H 4.1302 8.4107 116.8836 59.3340 29.9199 177.4694 67 L 3.9317 8.4937 121.0047 57.8902 41.6664 179.3723 68 K 3.8431 8.1005 118.3426 60.0446 31.7852 178.2936 69 D 4.2768 7.6752 116.6061 57.9508 41.2450 177.8960 70 H 4.2307 8.1370 116.9358 58.1597 28.8113 177.8194 71 V 3.7455 7.9858 120.2899 65.6996 31.5108 177.5261 72 A 3.9736 7.6351 118.8632 55.5685 18.3962 177.8870 *83 I 4.0154 7.7991 117.6703 61.2063 39.7177 177.7859 84 V 3.5975 7.9074 124.9823 66.8752 32.0957 178.4299 85 E 4.1219 8.3969 116.8727 59.6128 30.0680 180.5167 86 E 4.1575 8.1646 115.8139 58.7389 30.0768 180.7554 87 L 3.9180 8.4278 118.2620 55.8141 41.5611 177.8768 *89 E 4.1589 8.2463 118.8775 55.7680 31.0576 176.8623 90 A 4.1394 7.8273 120.2419 54.5660 18.8193 177.2288 91 L 4.1836 7.9819 120.0697 55.1671 41.6493 176.7602 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 5 H 8.44 4.75 0.00 3.10 3.46 0.00 5.85 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 L 7.61 4.50 0.00 1.67 1.50 0.92 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 7 H 8.76 4.59 0.00 3.13 3.18 0.00 5.83 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 L 8.00 3.92 0.00 1.65 1.61 0.94 1.29 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 9 D 8.75 4.34 0.00 2.74 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.26 0.00 2.20 2.13 0.00 3.65 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 11 K 8.71 3.86 0.00 1.80 1.99 0.00 1.63 0.00 0.00 1.57 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 12 V 7.60 3.58 2.20 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 0.87 0.00 0.00 0.94 0.00 0.00 13 R 8.33 3.85 0.00 1.90 2.10 0.00 3.16 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 14 E 8.85 3.96 0.00 2.04 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 2.49 2.46 0.00 15 E 8.01 3.94 0.00 2.26 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 2.31 2.37 0.00 16 A 8.56 4.02 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 17 R 8.27 3.82 0.00 2.04 2.15 0.00 3.11 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 18 R 8.04 3.87 0.00 2.09 2.05 0.00 3.15 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 19 R 7.88 4.15 0.00 2.05 1.97 0.00 3.19 0.00 0.00 3.27 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 20 L 8.09 4.05 0.00 1.86 1.71 0.92 0.37 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 21 L 8.27 3.98 0.00 1.88 1.72 0.92 0.99 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 22 S 8.23 4.10 0.00 4.06 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 23 A 8.06 4.02 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 3.99 0.00 1.89 1.99 0.00 1.65 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.46 7.81 25 G 8.36 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 0.00 0.00 0.00 26 H 8.71 4.32 0.00 3.30 3.45 0.00 5.61 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 27 L 8.12 3.98 0.00 1.92 1.80 0.90 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 28 E 8.53 4.16 0.00 2.20 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 2.33 2.58 0.00 29 G 7.57 3.60 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 0.00 0.00 0.00 30 I 7.41 3.86 1.97 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.72 0.88 0.00 0.00 31 L 7.77 4.18 0.00 1.80 1.73 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 32 R 7.70 4.15 0.00 2.05 1.92 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.95 0.00 *34 L 7.85 4.27 0.00 1.82 1.75 0.91 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.30 4.26 0.00 2.07 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 2.29 2.54 0.00 36 D 7.89 4.58 0.00 2.61 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 37 E 8.68 4.28 0.00 1.98 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 0.00 2.18 1.86 0.00 38 K 7.63 4.63 0.00 1.75 1.69 0.00 1.77 0.00 0.00 1.76 0.00 0.00 3.00 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.27 0.97 7.81 39 V 7.60 3.63 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 0.85 0.00 0.00 0.90 0.00 0.00 40 Y 7.96 4.92 0.00 3.23 2.78 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 0.00 0.00 0.00 0.00 41 C 8.80 4.08 0.00 3.00 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 42 V 7.89 3.65 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 1.17 0.00 0.00 0.92 0.00 0.00 43 D 8.14 4.37 0.00 2.96 2.73 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.60 3.57 2.25 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 1.12 0.00 0.00 1.01 0.00 0.00 45 L 7.98 3.99 0.00 1.90 1.71 0.93 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 46 K 8.35 3.99 0.00 1.97 1.87 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.47 1.71 7.81 47 Q 8.41 4.08 0.00 2.01 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.81 0.00 0.00 0.00 0.00 0.00 2.62 2.55 0.00 48 L 8.24 3.98 0.00 1.86 1.71 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 49 K 8.42 4.23 0.00 2.01 1.87 0.00 1.69 0.00 0.00 1.99 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.74 1.47 7.81 50 A 7.88 4.02 1.49 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 51 V 7.86 3.60 2.21 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 1.03 0.00 0.00 0.93 0.00 0.00 52 E 8.45 4.08 0.00 2.23 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 2.60 0.00 53 G 8.34 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 0.00 0.00 0.00 54 A 8.04 4.05 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.92 3.98 0.00 1.88 1.73 0.92 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 56 D 8.30 4.40 0.00 2.93 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 57 R 7.54 4.07 0.00 1.86 2.00 0.00 3.17 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.96 0.00 58 V 7.52 3.85 2.21 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 0.81 0.00 0.00 0.97 0.00 0.00 59 G 8.21 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 60 E 8.24 4.22 0.00 2.16 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 2.33 2.60 0.00 *62 V 7.80 4.03 2.21 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 1.04 0.00 0.00 0.96 0.00 0.00 63 L 8.72 3.96 0.00 1.81 1.71 0.95 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.09 3.89 0.00 2.06 1.93 0.00 3.15 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 65 A 7.95 4.01 1.35 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 0.00 0.00 0.00 66 H 8.41 4.13 0.00 3.38 3.52 0.00 5.79 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 67 L 8.49 3.93 0.00 1.85 1.71 0.94 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 68 K 8.10 3.84 0.00 1.80 1.88 0.00 1.68 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.63 7.81 69 D 7.68 4.28 0.00 2.57 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 70 H 8.14 4.23 0.00 3.12 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 V 7.99 3.75 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 0.81 0.00 0.00 0.97 0.00 0.00 72 A 7.64 3.97 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 *83 I 7.80 4.02 1.86 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 1.32 0.40 0.83 0.00 0.00 84 V 7.91 3.60 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 0.75 0.00 0.00 0.93 0.00 0.00 85 E 8.40 4.12 0.00 2.03 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 0.00 2.23 1.88 0.00 86 E 8.16 4.16 0.00 1.89 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 0.00 2.31 1.87 0.00 87 L 8.43 3.92 0.00 1.67 1.80 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 *89 E 8.25 4.16 0.00 2.08 2.17 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 2.18 2.31 0.00 90 A 7.83 4.14 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 91 L 7.98 4.18 0.00 1.64 1.59 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.