NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2934 8.4449 121.4708 56.3323 29.5821 175.4376 4 K 4.3419 8.0741 126.1080 54.6518 33.8358 173.9115 5 R 4.4672 9.1670 126.3802 55.5191 32.5294 174.3720 6 R 4.9210 8.2972 121.7816 54.5710 34.6726 174.2539 7 D 4.8173 8.3133 119.9281 52.1213 41.3177 176.8905 8 N 4.4585 9.1584 116.2379 55.4258 37.8652 175.8804 9 R 4.3308 7.5197 116.3811 55.0170 31.5457 177.0114 10 G 5.0180 8.8859 119.0791 46.1182 0.0000 172.3875 11 R 4.2391 7.4044 120.1070 55.1539 31.1308 175.5300 12 I 4.5916 8.4469 123.5470 60.0112 37.3933 175.4658 13 L 4.4192 8.4069 127.8659 54.8765 41.8011 176.8865 14 K 4.4283 7.7572 120.9475 55.2484 34.4809 176.1309 15 T 3.8438 8.3405 115.3182 63.9918 67.7472 172.0379 16 G 4.3299 9.0206 115.6707 45.6978 0.0000 174.1041 17 E 4.7293 7.5282 116.6020 56.5982 30.4971 176.8248 18 S 4.6960 9.1463 115.7482 57.2584 66.4878 172.4656 19 Q 5.0284 8.6813 127.1575 54.4854 30.9773 175.4545 20 R 4.3907 8.1843 125.3829 54.5440 31.5052 177.5135 21 K 4.1175 8.3710 117.6919 59.2293 32.5559 177.6623 22 D 4.5452 7.7846 118.5554 54.8920 41.3345 176.7211 23 G 4.0508 7.7991 106.9970 45.1065 0.0000 174.5562 24 R 2.8600 6.5951 116.4216 56.0100 30.1613 176.5328 25 Y 4.9063 8.7641 121.0065 57.7549 40.2849 174.1543 26 L 4.6255 8.6850 121.5228 54.3980 45.8409 173.5831 27 Y 5.4351 8.7728 125.9678 55.7722 43.0944 173.4761 28 K 4.7041 6.4525 122.7199 54.5626 35.3073 174.4370 29 Y 4.8210 8.5835 123.6374 55.7994 42.2897 173.3034 30 I 4.5745 8.1538 120.1191 59.3878 39.5675 175.9387 31 D 4.8542 7.8009 126.2633 52.0516 40.8754 177.1400 32 S 4.3172 8.2282 111.0429 59.7111 61.8212 174.2799 33 F 4.3511 8.9342 117.5279 57.7322 39.5708 177.1172 34 G 3.9940 8.6504 109.1276 44.8992 0.0000 173.5434 35 E 4.2955 7.8861 118.0556 54.7208 30.8717 173.9095 36 P 4.3776 0.0000 0.0000 62.8384 32.4410 175.2814 37 Q 4.4746 8.1501 123.2579 54.3093 32.5083 173.5258 38 F 5.2673 9.0525 123.6719 55.8664 41.9781 175.0920 39 V 4.8791 8.8510 114.7067 59.9512 35.4332 174.2059 40 Y 5.0909 8.3056 118.6969 56.7079 41.8860 175.0168 41 S 4.6362 8.1530 111.5393 57.6336 66.4733 176.0403 42 W 4.7583 9.3435 125.6364 56.8522 29.7069 176.1797 43 K 4.8395 8.4134 120.0933 54.6679 35.2756 176.9389 44 L 3.5517 8.7741 125.1110 56.5828 42.3713 176.1176 45 V 4.4218 9.8649 116.1904 60.3871 34.2515 175.5825 46 A 4.5350 8.6303 123.0875 53.7292 18.3399 178.4016 47 T 4.2243 7.6938 104.0552 62.1764 69.5012 174.5275 48 D 4.7516 7.4565 122.5329 54.2484 41.7464 175.4217 49 R 4.7165 8.0529 117.6276 54.7437 33.8481 175.8158 50 V 4.0105 8.2909 115.2414 59.8434 32.7201 174.3064 51 P 4.0365 0.0000 0.0000 62.4350 31.7593 175.6273 52 A 4.0031 8.3835 123.8082 54.3482 18.4640 177.9027 53 G 3.9421 9.0133 111.2380 44.9064 0.0000 173.5750 54 K 4.2225 7.5453 119.4383 54.9955 33.0892 177.0824 55 R 4.2051 8.2213 122.3379 55.2459 30.8898 176.0320 56 D 4.5891 8.3399 119.2050 54.2413 39.7183 175.2111 57 C 4.8015 8.0667 118.3654 57.9020 34.7452 173.2272 58 I 4.1137 8.2220 124.8563 60.4751 37.6892 177.1291 59 S 4.6961 8.4694 122.7670 57.7481 64.5967 175.4071 60 L 3.8827 8.3182 124.1903 58.2106 41.5549 179.8130 61 R 3.7857 7.2744 117.1237 59.6797 30.0585 178.9948 62 E 3.9470 7.9823 117.4580 58.9714 29.5718 179.1718 63 K 3.8630 8.5755 120.3618 59.4887 32.2617 178.7691 64 I 3.4079 8.4100 121.0241 64.3184 37.0537 178.0643 65 A 3.9341 7.7035 121.1481 55.4540 18.3189 179.6333 66 E 3.9306 8.1441 116.8991 59.3403 29.5152 179.7204 67 L 3.9514 8.3476 119.3331 58.0143 41.5116 179.6188 68 Q 4.1899 8.0271 116.9306 58.8646 28.7532 178.5789 69 K 4.1565 8.1139 118.4315 58.3068 32.0921 178.1564 70 D 4.6909 7.8752 117.4984 56.1573 41.6096 177.6662 71 I 4.3822 7.9595 118.5253 61.8765 36.9703 176.6616 72 H 4.7914 7.9227 120.5858 55.3340 30.0736 172.8195 73 D 4.6983 8.4617 122.7776 54.4872 42.0580 172.6628 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 E 8.44 4.29 0.00 1.95 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 2.20 2.35 0.00 4 K 8.07 4.34 0.00 1.71 1.69 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.83 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.35 1.50 7.81 5 R 9.17 4.47 0.00 1.95 1.79 0.00 3.18 0.00 0.00 3.35 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.73 0.00 6 R 8.30 4.92 0.00 1.69 1.79 0.00 3.26 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 7 D 8.31 4.82 0.00 3.15 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 8 N 9.16 4.46 0.00 2.79 2.95 0.00 0.00 6.96 7.69 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 9 R 7.52 4.33 0.00 2.19 1.91 0.00 3.50 0.00 0.00 3.27 7.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.79 0.00 10 G 8.89 5.02 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 0.00 0.00 0.00 11 R 7.40 4.24 0.00 1.88 1.82 0.00 3.09 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.66 0.00 12 I 8.45 4.59 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 1.05 0.97 0.00 0.00 13 L 8.41 4.42 0.00 1.63 1.61 1.00 0.65 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 14 K 7.76 4.43 0.00 1.81 1.80 0.00 1.68 0.00 0.00 1.55 0.00 0.00 2.73 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.48 7.81 15 T 8.34 3.84 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 1.26 0.00 0.00 16 G 9.02 4.33 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 0.00 17 E 7.53 4.73 0.00 2.08 1.94 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 2.22 2.34 0.00 18 S 9.15 4.70 0.00 3.89 3.64 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.68 5.03 0.00 2.22 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.77 0.00 0.00 0.00 0.00 0.00 2.06 2.00 0.00 20 R 8.18 4.39 0.00 1.80 1.77 0.00 3.20 0.00 0.00 3.21 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.49 0.00 21 K 8.37 4.12 0.00 1.84 1.93 0.00 1.47 0.00 0.00 1.71 0.00 0.00 3.10 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.51 7.81 22 D 7.78 4.55 0.00 2.60 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 23 G 7.80 4.05 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 0.00 0.00 0.00 24 R 6.60 2.86 0.00 1.22 0.66 0.00 2.84 0.00 0.00 3.31 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.24 0.00 25 Y 8.76 4.91 0.00 3.07 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 26 L 8.68 4.63 0.00 1.52 1.36 0.75 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 27 Y 8.77 5.44 0.00 3.06 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 28 K 6.45 4.70 0.00 1.34 1.09 0.00 1.44 0.00 0.00 1.31 0.00 0.00 2.54 0.00 0.00 2.43 0.00 0.00 0.00 0.00 0.31 0.21 7.81 29 Y 8.58 4.82 0.00 3.10 3.07 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 30 I 8.15 4.57 1.80 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 1.21 0.48 0.90 0.00 0.00 31 D 7.80 4.85 0.00 3.05 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 32 S 8.23 4.32 0.00 4.00 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 33 F 8.93 4.35 0.00 3.29 3.14 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 0.00 0.00 0.00 34 G 8.65 3.99 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 0.00 0.00 0.00 35 E 7.89 4.30 0.00 2.12 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 2.63 2.17 0.00 36 P 0.00 4.38 0.00 1.94 1.96 0.00 3.67 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 37 Q 8.15 4.47 0.00 1.69 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.79 0.00 0.00 0.00 0.00 0.00 2.21 2.40 0.00 38 F 9.05 5.27 0.00 3.01 2.86 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 39 V 8.85 4.88 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.17 0.00 0.00 40 Y 8.31 5.09 0.00 2.81 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 41 S 8.15 4.64 0.00 3.95 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 42 W 9.34 4.76 0.00 3.28 3.29 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 43 K 8.41 4.84 0.00 1.91 1.93 0.00 1.79 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.51 7.81 44 L 8.77 3.55 0.00 0.56 1.44 0.50 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 45 V 9.86 4.42 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 0.83 0.00 0.00 0.90 0.00 0.00 46 A 8.63 4.54 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 47 T 7.69 4.22 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 48 D 7.46 4.75 0.00 2.76 2.79 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 49 R 8.05 4.72 0.00 1.76 1.78 0.00 3.37 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 50 V 8.29 4.01 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 0.94 0.00 0.00 0.94 0.00 0.00 51 P 0.00 4.04 0.00 1.72 1.78 0.00 3.09 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.93 0.00 52 A 8.38 4.00 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 53 G 9.01 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 54 K 7.55 4.22 0.00 1.52 1.34 0.00 1.38 0.00 0.00 1.47 0.00 0.00 2.47 0.00 0.00 2.22 0.00 0.00 0.00 0.00 1.13 0.64 7.81 55 R 8.22 4.21 0.00 1.81 1.87 0.00 3.39 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.55 0.00 56 D 8.34 4.59 0.00 2.79 2.71 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 57 C 8.07 4.80 0.00 3.06 2.95 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 0.00 0.00 0.00 58 I 8.22 4.11 1.90 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 1.43 0.70 0.93 0.00 0.00 59 S 8.47 4.70 0.00 3.83 3.82 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 60 L 8.32 3.88 0.00 1.51 1.51 0.88 0.93 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 61 R 7.27 3.79 0.00 1.86 1.90 0.00 3.17 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.73 0.00 62 E 7.98 3.95 0.00 2.11 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 2.37 2.33 0.00 63 K 8.58 3.86 0.00 1.95 1.73 0.00 1.65 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.38 1.47 7.81 64 I 8.41 3.41 1.75 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.37 0.82 0.00 0.00 65 A 7.70 3.93 1.34 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 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.14 3.93 0.00 2.06 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 2.42 0.00 67 L 8.35 3.95 0.00 1.24 1.31 0.57 0.93 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 68 Q 8.03 4.19 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 7.16 0.00 0.00 0.00 0.00 0.00 2.52 2.48 0.00 69 K 8.11 4.16 0.00 1.84 1.87 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.47 1.50 7.81 70 D 7.88 4.69 0.00 2.76 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.96 4.38 2.15 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.91 1.18 0.00 0.00 72 H 7.92 4.79 0.00 3.15 3.33 0.00 5.90 0.00 0.00 0.00 0.00 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 D 8.46 4.70 0.00 2.77 2.57 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 0.00 0.00 0.00 0.00