NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 G 3.9361 8.3549 109.7363 45.2945 0.0000 172.7619 4 S 4.0476 8.4425 115.6946 57.3886 63.3541 172.7494 5 A 4.0519 9.2753 129.2336 53.4741 19.6508 176.3813 6 N 4.2078 8.6605 117.4043 54.3313 36.2701 175.1237 7 S 4.3754 7.9431 112.1419 57.7886 63.8990 174.3468 8 Q 4.0520 8.3791 124.3624 55.9856 29.6267 176.0862 9 L 4.2450 8.3931 124.8085 54.8396 43.3631 175.8265 10 V 4.7449 8.3970 122.0286 61.2310 34.1743 174.5992 11 V 4.9289 8.6590 120.2267 59.5015 36.0408 174.3083 12 R 4.9140 8.5603 123.1758 54.0842 32.7453 174.9703 13 A 4.3803 8.8880 128.9271 52.4040 18.9119 177.9010 14 K 4.1789 9.2374 121.4753 56.6690 33.4188 176.5196 15 F 4.9608 7.9096 116.6247 55.6385 43.1126 174.1044 16 N 4.9243 8.9795 118.2780 53.7153 39.6235 174.5146 17 F 4.7712 8.9804 123.7663 56.6903 43.0810 172.6847 18 Q 4.6575 7.6650 127.2591 53.5856 30.5437 175.0910 19 Q 3.9703 8.4606 125.6276 56.8218 28.9385 176.5455 20 T 4.3554 9.2974 111.2545 61.8882 70.1364 174.0049 21 N 5.0673 7.8434 121.1319 51.9339 42.8148 175.6326 22 E 4.0657 8.8577 116.0499 58.8210 30.1159 178.4040 23 D 4.9765 8.1713 116.1455 53.4897 39.8270 175.1388 24 E 5.5290 7.9289 118.8478 55.2307 31.6221 175.5652 25 L 4.7131 9.4389 124.9071 54.8293 43.6074 175.9468 26 S 5.0719 8.7094 118.8395 56.7799 65.7996 173.2596 27 F 5.0558 8.4688 117.9439 56.1573 41.8437 172.9369 28 S 5.2348 9.8492 114.8385 55.9993 66.3297 174.1714 29 K 4.0666 8.7836 122.9464 58.6286 32.2323 176.3065 30 G 4.0594 8.9296 114.3537 45.4073 0.0000 173.8479 31 D 4.5096 8.1830 119.5945 54.5449 42.0868 175.6349 32 V 4.6407 8.2277 121.5467 61.3314 33.3814 174.8355 33 I 4.6506 8.4780 128.3468 59.7699 40.7535 174.0987 34 H 5.1240 8.7055 123.8239 54.2642 30.2387 174.6432 35 V 4.3478 8.4294 125.2472 63.2397 31.3552 175.6251 36 T 4.4294 8.9602 118.1536 62.4315 70.9598 175.1840 37 R 4.4247 7.4720 120.4900 54.1754 34.0816 174.2912 38 V 3.5035 8.1293 124.2122 61.0093 32.6104 174.8989 39 E 4.8202 8.4355 126.1221 54.4660 33.6034 174.9272 40 E 4.3398 8.6126 119.6168 56.7440 30.5509 176.8725 41 G 4.0282 9.3218 106.6015 45.4017 0.0000 174.8744 42 G 3.8607 9.1660 108.2394 44.5394 0.0000 172.6639 43 W 5.3166 7.8839 118.2119 54.6054 32.5365 174.6159 44 W 5.2589 8.9486 123.9041 54.8957 32.7139 173.9009 45 E 4.6198 8.6484 122.6487 54.6846 31.7206 174.9842 46 G 4.6580 9.0339 112.0171 45.9823 0.0000 171.3569 47 T 5.3047 8.7990 109.9693 60.3984 71.9137 173.0809 48 H 4.7536 9.6155 123.2000 56.8139 34.0972 174.0240 *49 N 3.9423 9.9748 121.7960 53.1909 34.8613 172.8295 50 G 4.0722 8.9050 107.5272 45.5550 0.0000 173.8648 51 R 4.8329 7.9453 115.4602 54.5881 33.4211 174.2755 52 T 5.0326 8.3121 116.1102 62.0452 70.8449 173.8827 53 G 4.2748 8.8901 111.8708 45.3643 0.0000 172.1091 54 W 5.4900 9.5770 120.6866 56.4248 30.7835 175.9611 55 F 5.3623 9.3816 116.9992 54.8712 41.5038 171.8392 56 P 3.4320 0.0000 0.0000 62.1217 30.7763 177.5668 57 S 3.3837 7.9558 119.4811 60.3037 62.7992 175.3211 58 N 4.5867 7.6689 116.2705 53.4460 37.5964 174.8599 59 Y 4.5972 8.1641 116.8508 58.5421 38.6322 174.9965 60 V 4.9819 7.3036 111.5200 59.3815 36.0120 174.9561 61 R 4.5745 8.4519 121.4078 54.3425 33.1085 174.0056 62 E 4.4376 8.9759 127.6430 56.4490 30.6402 176.3538 63 I 4.1612 8.8170 128.5334 60.2657 37.2101 175.8319 64 K 4.2254 8.4682 127.1241 55.3089 32.8515 175.8105 65 P 4.6420 0.0000 0.0000 62.1628 32.4523 176.5635 66 S 4.2987 8.3223 115.0350 58.8921 63.5480 174.2780 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 3 G 8.35 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 4 S 8.44 4.05 0.00 3.95 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 5 A 9.28 4.05 1.23 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 0.00 0.00 6 N 8.66 4.21 0.00 2.86 2.89 0.00 0.00 7.04 7.57 0.00 0.00 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 S 7.94 4.38 0.00 3.85 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 8 Q 8.38 4.05 0.00 2.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.95 0.00 0.00 0.00 0.00 0.00 2.35 2.43 0.00 9 L 8.39 4.24 0.00 1.66 1.61 0.84 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.40 4.74 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 0.92 0.00 0.00 0.95 0.00 0.00 11 V 8.66 4.93 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 0.94 0.00 0.00 0.93 0.00 0.00 12 R 8.56 4.91 0.00 1.78 1.67 0.00 3.02 0.00 0.00 3.12 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.53 0.00 13 A 8.89 4.38 1.23 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 0.00 0.00 14 K 9.24 4.18 0.00 1.57 0.96 0.00 1.42 0.00 0.00 1.69 0.00 0.00 2.90 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.22 1.12 7.81 15 F 7.91 4.96 0.00 2.51 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 16 N 8.98 4.92 0.00 2.71 2.81 0.00 0.00 6.63 7.45 0.00 0.00 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 F 8.98 4.77 0.00 2.69 1.45 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.66 4.66 0.00 1.86 1.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.67 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 19 Q 8.46 3.97 0.00 2.44 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.52 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 20 T 9.30 4.36 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 1.23 0.00 0.00 21 N 7.84 5.07 0.00 2.95 2.65 0.00 0.00 7.25 7.66 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 22 E 8.86 4.07 0.00 1.98 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 0.00 2.23 1.87 0.00 23 D 8.17 4.98 0.00 3.11 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 24 E 7.93 5.53 0.00 2.29 2.40 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 2.62 2.35 0.00 25 L 9.44 4.71 0.00 2.16 2.06 1.14 0.99 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 26 S 8.71 5.07 0.00 3.79 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 27 F 8.47 5.06 0.00 3.13 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 9.85 5.23 0.00 3.89 3.83 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 29 K 8.78 4.07 0.00 1.73 1.75 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.36 1.45 7.81 30 G 8.93 4.06 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 0.00 0.00 0.00 31 D 8.18 4.51 0.00 2.66 2.42 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 32 V 8.23 4.64 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 0.69 0.00 0.00 0.89 0.00 0.00 33 I 8.48 4.65 1.42 0.00 0.00 -0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.27 0.59 0.00 0.00 34 H 8.71 5.12 0.00 3.09 3.23 0.00 5.61 0.00 0.00 0.00 0.00 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 V 8.43 4.35 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 0.66 0.00 0.00 1.20 0.00 0.00 36 T 8.96 4.43 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 1.18 0.00 0.00 37 R 7.47 4.42 0.00 1.32 1.76 0.00 2.96 0.00 0.00 3.44 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 38 V 8.13 3.50 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 0.18 0.00 0.00 -0.02 0.00 0.00 39 E 8.44 4.82 0.00 2.41 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 2.32 2.50 0.00 40 E 8.61 4.34 0.00 2.41 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 2.27 1.87 0.00 41 G 9.32 4.03 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 0.00 0.00 0.00 42 G 9.17 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 0.00 0.00 0.00 43 W 7.88 5.32 0.00 3.09 3.28 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 44 W 8.95 5.26 0.00 2.19 2.69 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 45 E 8.65 4.62 0.00 1.16 1.14 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 0.00 1.77 1.47 0.00 46 G 9.03 4.66 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 47 T 8.80 5.30 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 1.21 0.00 0.00 48 H 9.62 4.75 0.00 3.12 3.16 0.00 5.73 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *49 N 9.97 3.94 0.00 2.91 2.72 0.00 0.00 7.03 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 8.91 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 0.00 0.00 0.00 51 R 7.95 4.83 0.00 1.91 2.03 0.00 2.79 0.00 0.00 3.25 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 52 T 8.31 5.03 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 1.21 0.00 0.00 53 G 8.89 4.27 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 0.00 54 W 9.58 5.49 0.00 3.44 3.43 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 55 F 9.38 5.36 0.00 3.27 3.41 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 56 P 0.00 3.43 0.00 1.67 0.84 0.00 2.88 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.44 0.00 57 S 7.96 3.38 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.67 4.59 0.00 2.79 2.84 0.00 0.00 5.99 7.55 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 59 Y 8.16 4.60 0.00 3.27 3.35 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 60 V 7.30 4.98 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 0.45 0.00 0.00 1.01 0.00 0.00 61 R 8.45 4.57 0.00 1.81 1.67 0.00 3.09 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.53 0.00 62 E 8.98 4.44 0.00 2.19 1.92 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 2.34 2.55 0.00 63 I 8.82 4.16 1.85 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 1.20 0.64 0.90 0.00 0.00 64 K 8.47 4.23 0.00 1.74 1.74 0.00 1.67 0.00 0.00 1.79 0.00 0.00 3.12 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.54 7.81 65 P 0.00 4.64 0.00 2.04 1.97 0.00 3.62 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 66 S 8.32 4.30 0.00 3.80 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.