NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 E 4.1424 8.4444 118.7843 55.9781 30.6980 174.4465 3 L 4.0334 8.0629 126.1209 52.0404 43.0875 173.9313 4 K 3.9708 8.1432 128.1369 55.4384 32.8787 177.4048 5 D 5.0582 8.3218 130.1076 53.4797 34.8063 175.5627 6 Y 4.4302 8.5657 124.7168 62.7095 38.4280 178.1747 7 Y 4.8476 8.3762 116.3836 61.5847 37.7666 179.0827 8 A 4.2686 8.3262 120.8746 55.1474 18.6690 179.0957 9 I 4.1821 8.9157 117.5769 65.1660 37.2763 177.1971 10 M 4.3211 9.9614 114.1751 54.4337 31.1140 176.7349 11 G 4.1077 8.9981 107.6303 46.5869 0.0000 173.7565 12 V 4.2503 9.1266 122.6635 61.2866 33.7884 175.0780 13 K 4.5891 8.3217 118.4320 54.4302 34.1152 174.6408 14 P 4.4165 0.0000 0.0000 64.5826 31.9363 176.2656 15 T 4.4999 7.1600 108.9668 61.4531 68.9861 172.1994 16 D 4.9972 7.3466 122.6887 53.8284 44.1010 173.8851 17 D 5.1872 7.9642 119.1765 52.9057 44.1930 176.1269 18 L 4.2898 8.4586 119.4184 58.5340 41.9096 179.4884 19 K 3.9905 8.1317 118.3565 59.7804 31.8018 179.1548 20 T 3.8757 7.8385 115.1750 66.7717 68.3371 176.3514 21 I 4.3392 8.2069 122.0701 64.9255 37.0722 178.4085 22 K 3.1863 9.0931 120.2602 59.3944 31.9825 178.7328 23 T 3.8434 8.0733 115.9783 66.7980 68.2377 176.1170 24 A 3.9397 8.9813 123.3189 55.6576 17.9807 179.2091 25 Y 3.2993 9.8328 117.3994 60.1263 38.7165 178.0752 26 R 3.6112 9.5856 119.9936 58.8190 30.2522 178.5486 27 R 3.7771 7.7877 115.9644 59.8152 29.0578 177.9440 28 L 3.4142 8.6545 121.1336 56.1960 40.8962 178.7085 29 A 3.4869 8.9290 122.2360 55.3625 18.1092 179.8506 30 R 3.8650 7.3293 116.8443 58.7568 30.5269 177.9112 31 K 4.3080 8.0933 117.0484 57.7075 32.9364 177.3453 32 Y 4.4549 8.6948 117.2911 58.5017 40.2262 175.2652 33 H 2.8208 8.7251 120.9404 55.2609 29.8347 173.7837 34 P 3.6423 0.0000 0.0000 65.7677 30.9653 177.1197 35 D 4.3762 8.0862 117.3746 56.4745 41.3286 176.2519 36 V 4.1816 8.5120 118.8727 61.5490 32.2913 172.8880 37 S 5.2155 7.9948 117.3717 58.3408 65.3894 175.2201 38 K 4.5382 8.4640 122.2602 54.1262 32.0361 174.6445 39 E 4.7898 7.7510 119.0246 53.2708 33.3046 174.7669 40 P 4.3580 0.0000 0.0000 65.7664 30.8176 176.7994 41 D 4.5909 7.3644 117.8244 51.6732 41.4286 174.7179 42 A 4.2651 8.3030 125.6018 53.9250 18.8055 178.5472 43 E 4.0767 8.2082 117.5366 59.5613 29.1014 178.9050 44 A 3.9367 7.8295 119.8537 55.2183 18.5450 179.3069 45 R 4.7091 9.1461 117.8958 58.9471 29.5863 178.6469 46 F 5.2227 9.3075 120.5466 61.9995 39.0728 177.1522 47 K 3.7807 8.1559 117.6448 59.6299 31.8424 179.0995 48 E 4.9914 9.4309 120.5445 58.9340 29.1540 179.5065 49 V 3.7329 9.1187 119.1643 65.9241 31.6272 177.5274 50 A 4.5549 9.3728 121.3010 55.6052 18.1669 179.4497 51 E 3.6140 9.2050 116.4512 59.3449 29.3321 179.0504 52 A 2.0000 8.5191 122.7806 53.8759 18.3081 179.1992 53 W 4.4437 11.6326 126.3609 61.1845 30.2803 177.3386 54 E 3.7734 8.3533 120.4465 58.0344 29.0746 179.0161 55 V 3.4578 7.5357 111.7294 65.0137 31.6171 178.7955 56 L 4.1447 8.8878 117.6543 57.6403 41.9450 178.5521 57 S 3.8668 8.0863 112.1532 57.3044 63.0116 172.5933 58 D 4.5533 7.8596 122.0932 52.3024 42.5058 175.7124 59 E 3.5237 8.8708 128.5799 59.7038 29.0729 178.5949 60 Q 3.9808 7.8598 118.7106 58.8326 29.0783 177.6541 61 R 4.1616 7.8624 118.4895 59.3752 30.0174 179.0271 62 R 4.0470 8.7556 119.1309 59.3923 29.6376 177.9762 63 A 3.9962 7.8645 120.4097 55.3981 18.3331 179.1230 64 E 4.0246 9.6422 117.3171 59.5354 29.7523 178.1250 65 Y 4.4534 9.9635 119.2122 61.4124 38.8404 178.1845 66 D 4.2465 10.3800 119.0113 57.0415 40.8693 178.4464 67 Q 4.0396 9.1967 121.3233 59.6218 28.8213 178.6549 68 M 4.1278 8.0278 116.5176 55.9553 31.7453 178.5326 69 W 4.3532 8.4329 128.2168 57.9347 30.4691 177.7024 70 Q 4.3824 9.6072 119.9490 58.6273 28.9121 176.6484 71 H 4.3308 9.2485 113.4127 57.0276 28.6890 175.5388 72 R 4.7746 7.5175 121.5576 56.9414 30.9358 175.7144 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 2 E 8.44 4.14 0.00 2.01 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 2.14 2.26 0.00 3 L 8.06 4.03 0.00 1.30 0.96 0.76 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 4 K 8.14 3.97 0.00 1.52 0.87 0.00 2.22 0.00 0.00 1.93 0.00 0.00 3.04 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.49 1.21 7.81 5 D 8.32 5.06 0.00 3.18 2.85 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 0.00 0.00 0.00 6 Y 8.57 4.43 0.00 1.95 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.38 4.85 0.00 3.40 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.33 4.27 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.92 4.18 2.30 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.72 1.25 0.00 0.00 10 M 9.96 4.32 0.00 2.37 2.44 0.00 0.00 0.00 0.00 0.00 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.00 2.98 0.00 11 G 9.00 4.11 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 0.00 0.00 0.00 12 V 9.13 4.25 2.44 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 0.94 0.00 0.00 1.04 0.00 0.00 13 K 8.32 4.59 0.00 1.61 1.68 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.34 1.40 7.81 14 P 0.00 4.42 0.00 1.44 1.77 0.00 3.56 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 15 T 7.16 4.50 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 0.99 0.00 0.00 16 D 7.35 5.00 0.00 2.38 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 17 D 7.96 5.19 0.00 2.73 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.46 4.29 0.00 1.75 1.79 0.85 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 19 K 8.13 3.99 0.00 1.87 1.88 0.00 1.74 0.00 0.00 1.84 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.58 1.58 7.81 20 T 7.84 3.88 4.39 0.00 0.00 0.00 0.00 0.00 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 21 I 8.21 4.34 2.49 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.14 1.55 0.00 0.00 22 K 9.09 3.19 0.00 1.88 1.69 0.00 1.97 0.00 0.00 1.67 0.00 0.00 2.52 0.00 0.00 3.46 0.00 0.00 0.00 0.00 1.07 0.21 7.81 23 T 8.07 3.84 4.48 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 0.00 0.00 0.00 1.22 0.00 0.00 24 A 8.98 3.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 9.83 3.30 0.00 3.08 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 9.59 3.61 0.00 1.77 1.69 0.00 3.24 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.71 0.00 27 R 7.79 3.78 0.00 1.98 2.13 0.00 2.78 0.00 0.00 3.11 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.50 0.00 28 L 8.65 3.41 0.00 1.46 1.16 -0.81 0.63 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 29 A 8.93 3.49 0.46 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 0.00 0.00 30 R 7.33 3.86 0.00 1.67 1.92 0.00 3.14 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 31 K 8.09 4.31 0.00 2.06 2.02 0.00 0.64 0.00 0.00 1.87 0.00 0.00 2.79 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.32 1.48 7.81 32 Y 8.69 4.45 0.00 2.68 3.24 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 33 H 8.73 2.82 0.00 2.66 2.96 0.00 5.61 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 P 0.00 3.64 0.00 2.21 2.22 0.00 3.51 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.24 0.00 35 D 8.09 4.38 0.00 2.84 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 36 V 8.51 4.18 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 0.64 0.00 0.00 0.90 0.00 0.00 37 S 7.99 5.22 0.00 4.04 3.98 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 38 K 8.46 4.54 0.00 1.73 1.76 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.32 1.37 7.81 39 E 7.75 4.79 0.00 1.76 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 0.00 1.93 1.55 0.00 40 P 0.00 4.36 0.00 2.17 2.21 0.00 3.69 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 1.94 1.95 0.00 41 D 7.36 4.59 0.00 2.67 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 42 A 8.30 4.27 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 43 E 8.21 4.08 0.00 2.10 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 2.39 2.46 0.00 44 A 7.83 3.94 1.40 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 45 R 9.15 4.71 0.00 1.63 0.75 0.00 3.67 0.00 0.00 3.51 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.37 0.00 46 F 9.31 5.22 0.00 3.24 3.23 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 47 K 8.16 3.78 0.00 2.10 1.80 0.00 1.86 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.25 1.68 7.81 48 E 9.43 4.99 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.49 0.00 49 V 9.12 3.73 2.66 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 1.29 0.00 0.00 1.29 0.00 0.00 50 A 9.37 4.55 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 51 E 9.20 3.61 0.00 1.95 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 0.00 2.45 2.31 0.00 52 A 8.52 2.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 W 11.63 4.44 0.00 3.43 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 54 E 8.35 3.77 0.00 1.72 1.67 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 2.38 2.18 0.00 55 V 7.54 3.46 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 -0.55 0.00 0.00 56 L 8.89 4.14 0.00 1.73 2.13 1.20 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.09 3.87 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 D 7.86 4.55 0.00 2.59 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.87 3.52 0.00 1.99 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 2.37 2.31 0.00 60 Q 7.86 3.98 0.00 2.12 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.63 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 61 R 7.86 4.16 0.00 1.76 1.88 0.00 3.14 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 1.68 0.00 62 R 8.76 4.05 0.00 2.10 2.00 0.00 3.38 0.00 0.00 3.42 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.99 0.00 63 A 7.86 4.00 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 64 E 9.64 4.02 0.00 2.10 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 0.00 2.55 2.43 0.00 65 Y 9.96 4.45 0.00 3.28 3.25 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 66 D 10.38 4.25 0.00 3.05 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 67 Q 9.20 4.04 0.00 2.25 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.84 0.00 0.00 0.00 0.00 0.00 2.56 2.56 0.00 68 M 8.03 4.13 0.00 2.18 2.10 0.00 0.00 0.00 0.00 0.00 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 2.62 0.00 69 W 8.43 4.35 0.00 3.01 2.24 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 70 Q 9.61 4.38 0.00 2.04 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.79 0.00 0.00 0.00 0.00 0.00 2.47 1.87 0.00 71 H 9.25 4.33 0.00 3.32 3.38 0.00 5.65 0.00 0.00 0.00 0.00 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 R 7.52 4.77 0.00 2.00 2.27 0.00 3.16 0.00 0.00 3.13 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.86 0.00