NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 L 4.3176 8.1849 120.6260 53.5108 43.2323 176.9602 4 P 4.1391 0.0000 0.0000 61.8604 33.1056 175.7115 5 A 3.9533 8.5149 123.9854 55.2469 18.6187 178.3714 6 P 4.1369 0.0000 0.0000 65.8439 31.3778 178.7904 7 V 3.3549 7.4500 117.6093 65.5672 31.4788 177.9026 8 K 3.8723 8.2428 118.4482 59.4518 31.6516 179.1689 9 A 3.9640 8.0618 120.2977 55.0512 18.4895 179.4518 10 I 3.7335 7.8364 118.4000 64.4882 37.1983 177.9399 11 E 4.4767 8.3790 121.8372 58.7731 29.1962 178.9175 12 K 4.2394 7.9012 115.8417 58.0540 32.0215 178.0085 13 Q 4.6963 8.1478 118.4181 55.3975 29.7222 176.1273 14 G 3.9850 8.1643 107.1565 45.4375 0.0000 173.7029 15 I 4.5581 7.5732 120.7552 59.8035 38.5966 174.6111 16 T 4.6191 8.4825 122.9158 62.8904 69.7314 174.0222 17 I 4.3053 8.2116 127.9681 61.3086 37.4231 175.6194 18 I 4.3637 9.1749 129.1415 62.8272 38.3471 175.9449 19 K 4.6476 7.8010 118.4975 56.3937 35.5162 174.1504 20 T 4.7911 8.4018 111.0801 60.1407 71.1953 173.5382 21 F 5.0035 8.3067 117.0419 55.5273 41.9406 172.8297 22 D 4.9342 8.8186 119.9357 53.6833 41.6057 175.7341 23 A 5.1578 8.3473 124.7319 49.2123 22.2690 174.0344 24 P 4.3922 0.0000 0.0000 63.3594 32.3915 177.1573 25 G 3.8261 8.9866 104.3261 45.9748 0.0000 174.4386 26 G 3.8922 8.2393 105.1912 45.8139 0.0000 173.4769 27 M 4.6670 7.5201 118.1139 53.8257 34.2368 174.9957 28 K 4.4909 8.5673 124.0533 55.0040 34.1765 175.4585 29 G 2.9021 8.3943 115.0240 44.5365 0.0000 172.0003 30 Y 4.9328 8.3162 119.8278 55.6889 41.9682 174.0742 31 L 5.0680 9.3393 126.7084 53.7054 44.3210 175.4961 32 G 4.6077 9.3842 112.9422 44.5094 0.0000 170.8321 33 K 5.3205 9.1823 117.9803 55.1477 36.3608 174.9594 34 Y 4.7073 8.9742 123.7767 55.9766 41.4519 175.3958 35 Q 3.1245 9.0010 127.7574 57.3924 26.2188 173.8137 36 D 4.4161 8.1025 113.1182 55.7182 39.2879 174.5917 37 M 4.7752 7.7185 117.6879 52.2891 33.9530 179.3471 38 G 4.2350 8.5264 110.0122 45.8252 0.0000 173.3324 39 V 4.7811 9.0550 116.4691 59.4023 36.5446 174.4534 40 T 5.0418 8.2970 113.1332 59.9485 71.5870 172.6980 41 I 4.9413 8.5642 126.1768 59.5232 40.7741 173.8919 42 Y 5.0045 9.0602 124.4142 56.0572 40.7816 174.4828 43 L 5.0000 9.2070 127.5811 54.1519 43.8106 176.2777 44 T 4.3556 8.8813 116.6749 60.8920 69.7352 173.5839 45 P 4.2190 0.0000 0.0000 65.9402 31.4009 177.5858 46 D 4.3776 8.0803 115.3487 54.0859 39.5142 177.0887 47 G 3.9378 8.3377 108.1949 46.0118 0.0000 174.2396 48 K 4.4252 8.5131 117.7536 56.1012 34.0315 175.7482 49 H 5.1147 7.8825 113.9634 53.9585 33.2211 172.3238 50 A 5.1441 8.4870 120.8659 50.5924 22.5688 175.4976 51 I 4.4542 8.9525 122.5915 59.5412 40.0449 174.6069 52 S 4.8238 9.3398 122.6031 55.8162 63.0813 174.5911 53 G 3.7373 7.0348 114.3328 46.1231 0.0000 170.4531 54 Y 4.7547 8.2400 120.1223 56.3649 40.5084 175.2028 55 M 4.3263 9.2231 125.5296 55.0469 33.5485 174.4171 56 Y 5.7342 9.0261 123.2544 55.7700 41.2760 175.2668 57 N 5.0226 8.4690 122.2115 51.8730 40.1291 175.5983 58 E 4.0714 8.7488 112.7479 58.7980 29.8494 173.4063 59 K 4.3293 8.5600 115.0567 56.4705 32.3254 177.5957 60 G 4.0111 8.1668 106.9939 45.3304 0.0000 173.6206 61 E 4.0084 8.0608 121.2135 55.7775 30.3228 175.5946 62 N 4.2817 8.3826 124.2907 52.4464 38.3503 175.3073 63 L 4.0377 8.7181 128.8598 57.3169 41.7950 179.4019 64 S 4.2212 8.0626 115.0268 61.5123 62.8441 175.8377 65 N 4.3841 8.6037 119.7702 56.9553 38.6579 176.8347 66 T 3.8203 7.6539 116.7681 66.6307 68.5698 176.2637 67 L 3.7729 7.8005 121.9029 58.1819 41.8910 179.0291 68 I 3.6642 7.8590 118.7977 64.4032 37.1168 178.0147 69 E 4.1031 8.2768 118.6303 59.2146 29.3788 178.9853 70 K 3.9265 7.6015 118.4419 58.6117 32.3895 176.3546 71 E 4.0884 8.5041 122.1282 56.6232 29.8276 174.1815 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 L 8.18 4.32 0.00 1.57 1.49 0.88 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.14 0.00 2.11 1.95 0.00 3.38 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 2.17 2.25 0.00 5 A 8.51 3.95 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 6 P 0.00 4.14 0.00 2.20 2.36 0.00 3.52 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.01 0.00 7 V 7.45 3.35 1.71 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 0.42 0.00 0.00 0.31 0.00 0.00 8 K 8.24 3.87 0.00 1.96 1.80 0.00 1.90 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.46 7.81 9 A 8.06 3.96 1.31 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 10 I 7.84 3.73 1.92 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 1.35 0.76 0.85 0.00 0.00 11 E 8.38 4.48 0.00 1.93 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 0.00 2.30 2.40 0.00 12 K 7.90 4.24 0.00 1.94 1.85 0.00 1.71 0.00 0.00 1.69 0.00 0.00 3.03 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.68 7.81 13 Q 8.15 4.70 0.00 2.13 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 5.81 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 14 G 8.16 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 15 I 7.57 4.56 1.88 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 1.54 1.08 0.99 0.00 0.00 16 T 8.48 4.62 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 1.22 0.00 0.00 17 I 8.21 4.31 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.68 1.05 0.00 0.00 18 I 9.17 4.36 2.03 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 1.32 0.82 0.93 0.00 0.00 19 K 7.80 4.65 0.00 1.82 1.89 0.00 1.48 0.00 0.00 1.86 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.43 1.51 7.81 20 T 8.40 4.79 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 0.76 0.00 0.00 21 F 8.31 5.00 0.00 3.04 3.04 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 0.00 0.00 0.00 22 D 8.82 4.93 0.00 2.62 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 0.00 0.00 0.00 0.00 23 A 8.35 5.16 1.52 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 0.00 0.00 24 P 0.00 4.39 0.00 2.24 2.23 0.00 3.86 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 1.98 0.00 25 G 8.99 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 0.00 0.00 0.00 26 G 8.24 3.89 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 0.00 0.00 0.00 27 M 7.52 4.67 0.00 2.15 2.06 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.61 0.00 28 K 8.57 4.49 0.00 1.88 1.67 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.76 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.36 1.25 7.81 29 G 8.39 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 8.32 4.93 0.00 2.75 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 31 L 9.34 5.07 0.00 1.88 1.63 0.91 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 32 G 9.38 4.61 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 0.00 0.00 0.00 33 K 9.18 5.32 0.00 1.84 1.89 0.00 1.26 0.00 0.00 1.58 0.00 0.00 2.81 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.33 1.37 7.81 34 Y 8.97 4.71 0.00 3.01 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 35 Q 9.00 3.12 0.00 1.90 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.36 0.00 0.00 0.00 0.00 0.00 1.78 1.16 0.00 36 D 8.10 4.42 0.00 2.80 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 37 M 7.72 4.78 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.31 0.00 38 G 8.53 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 0.00 0.00 0.00 0.00 39 V 9.05 4.78 2.02 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 0.74 0.00 0.00 0.96 0.00 0.00 40 T 8.30 5.04 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 1.25 0.00 0.00 41 I 8.56 4.94 1.81 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.65 0.84 0.00 0.00 42 Y 9.06 5.00 0.00 2.96 2.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.21 5.00 0.00 1.91 1.72 1.03 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.88 4.36 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 1.26 0.00 0.00 45 P 0.00 4.22 0.00 2.07 2.19 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.26 0.00 46 D 8.08 4.38 0.00 2.80 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 47 G 8.34 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 48 K 8.51 4.43 0.00 1.98 1.63 0.00 1.65 0.00 0.00 1.70 0.00 0.00 2.85 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.50 7.81 49 H 7.88 5.11 0.00 3.16 3.17 0.00 5.78 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 50 A 8.49 5.14 1.12 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 0.00 0.00 51 I 8.95 4.45 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.73 0.97 0.00 0.00 52 S 9.34 4.82 0.00 3.82 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 53 G 7.03 3.74 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 0.00 54 Y 8.24 4.75 0.00 3.01 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 M 9.22 4.33 0.00 1.91 1.19 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 56 Y 9.03 5.73 0.00 2.83 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 57 N 8.47 5.02 0.00 2.95 2.98 0.00 0.00 6.27 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 58 E 8.75 4.07 0.00 2.01 1.91 0.00 0.00 0.00 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 1.90 0.00 59 K 8.56 4.33 0.00 1.83 1.88 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.53 7.81 60 G 8.17 4.01 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.06 4.01 0.00 2.03 1.95 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 2.34 2.28 0.00 62 N 8.38 4.28 0.00 2.39 2.52 0.00 0.00 7.22 6.66 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 63 L 8.72 4.04 0.00 1.80 1.72 0.93 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 64 S 8.06 4.22 0.00 4.24 4.01 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 0.00 0.00 0.00 0.00 65 N 8.60 4.38 0.00 2.76 2.92 0.00 0.00 7.24 6.51 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 66 T 7.65 3.82 4.37 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 1.18 0.00 0.00 67 L 7.80 3.77 0.00 1.50 1.53 0.23 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 68 I 7.86 3.66 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.63 0.95 0.00 0.00 69 E 8.28 4.10 0.00 2.23 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 0.00 2.34 2.19 0.00 70 K 7.60 3.93 0.00 1.77 2.00 0.00 1.80 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.45 7.81 71 E 8.50 4.09 0.00 2.10 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 2.53 2.22 0.00