NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3925 8.3049 120.3070 55.2823 32.2474 174.7837 2 R 4.3099 8.3095 124.2616 54.7504 32.8332 173.6660 3 N 5.1442 9.3173 117.5796 51.7864 42.1539 173.7955 4 I 4.5518 8.5581 124.4658 59.8415 40.1544 174.1379 5 Y 4.6037 9.2161 126.8457 55.7308 41.4788 174.4163 6 V 4.7345 8.2312 126.2322 60.0917 34.4080 175.2087 7 G 4.4239 8.2954 111.4944 45.1799 0.0000 172.1575 8 N 4.3817 8.2075 115.7250 54.2162 36.8495 174.4198 9 L 4.3114 7.8468 117.4715 53.8924 42.7874 177.1156 10 V 4.1662 7.7927 122.1619 59.5542 34.0081 175.0864 11 Y 5.0544 7.5561 116.2580 60.4181 37.9034 178.1690 12 S 4.5511 7.5778 110.3990 57.0199 61.9922 172.3542 13 A 4.2103 7.1775 125.8806 52.9583 19.7024 177.7978 14 T 4.5107 7.5788 109.8114 62.6839 76.3889 176.0416 15 S 3.9324 8.2558 117.2943 61.8874 62.3841 176.1906 16 E 4.0279 7.9901 121.2040 57.3454 29.5341 177.4417 17 Q 4.2074 7.7184 118.1672 58.3013 29.7188 176.9545 18 V 3.8952 8.2326 120.4348 63.4519 30.3682 178.1311 19 K 3.3540 7.9155 119.7927 60.2416 31.7508 178.7932 20 E 4.2965 8.0864 118.5053 58.7777 29.7553 177.9935 21 L 4.3183 7.7500 119.4799 57.2347 42.5398 178.3284 22 F 4.3480 9.2543 119.0916 60.1855 38.8718 177.3099 23 S 4.6647 7.7967 113.4732 60.7243 62.8977 176.1512 24 Q 4.1963 8.1825 120.9530 57.2651 28.7505 176.2517 25 F 4.6804 8.3813 120.0591 58.0371 41.3433 175.9211 26 G 3.6452 8.2991 108.0191 43.9769 0.0000 172.7345 27 K 4.1616 8.1575 118.3208 56.0976 29.9443 176.1224 28 V 3.9975 7.7475 117.2206 62.7785 32.1339 176.1001 29 F 4.4106 9.6827 122.6203 59.3409 40.1095 176.0368 30 N 5.1918 8.2492 117.0369 51.7854 42.2418 173.4901 31 V 4.9140 8.5495 124.9223 60.2385 34.3644 174.6238 32 K 4.7747 8.7317 123.6428 55.0241 37.2513 174.4191 33 L 4.8530 8.1086 119.7741 53.9062 46.4763 175.0359 34 I 4.1078 7.4526 113.1543 59.5429 40.4782 173.5274 35 Y 5.2237 7.8472 118.2068 55.8774 41.5611 176.2859 36 D 4.1250 9.3123 119.7423 54.7476 41.7133 176.3828 37 R 4.0301 8.0481 115.6736 57.2904 28.0125 175.6561 38 E 4.8549 8.2049 117.4540 57.1131 35.7188 176.0400 39 T 4.3471 7.9145 106.0300 60.0114 69.6879 173.9106 40 K 3.6396 8.0378 119.8950 57.7115 29.5633 175.0094 41 K 4.9711 7.8072 116.5863 53.6197 35.8900 174.0166 42 P 4.9867 0.0000 0.0000 63.1200 32.3483 175.4176 43 K 3.8490 7.8097 122.1062 57.7669 33.9317 173.9614 44 G 4.3835 7.7925 125.3967 44.6381 0.0000 172.6112 45 F 4.8651 6.3645 112.8746 55.7879 41.3296 171.4126 46 G 4.1906 9.4631 105.8098 45.2291 0.0000 171.1062 47 F 4.9405 8.9281 120.1285 56.7610 43.6731 173.9663 48 V 4.6821 7.6663 122.2436 61.6332 35.5775 172.4932 49 E 5.1167 9.8744 129.5312 54.9795 31.6466 174.5112 50 M 5.2916 8.5459 125.6393 53.4747 36.1636 174.5381 51 Q 4.1803 8.6446 121.0283 56.6416 29.7244 175.4693 52 E 4.7151 8.4362 116.9654 56.7518 29.9699 177.2631 53 E 4.4583 8.2125 119.7812 57.1188 32.0562 177.1808 54 S 4.3468 7.8347 112.8894 60.4363 63.6517 176.3606 55 V 3.4432 7.2453 120.6360 65.6811 30.8201 178.2344 56 S 4.1373 7.9674 114.7890 61.4399 62.8937 175.6562 57 E 3.9293 8.0760 120.4424 57.7948 29.3560 177.5753 58 A 4.0130 8.5026 121.8728 55.4377 18.2620 179.3418 59 I 4.1085 7.4526 116.1607 63.2075 37.3072 177.9604 60 A 4.0083 7.2199 120.9548 55.2829 18.3475 179.3090 61 K 4.2450 7.8675 113.7895 58.1861 32.7347 178.1193 62 L 4.2850 7.4965 120.9966 54.4496 41.7286 175.6137 63 D 5.1844 7.3687 119.0326 53.6940 39.5412 175.0593 64 N 4.1721 7.7471 129.6084 54.0321 42.8541 175.3016 65 T 4.6136 7.9524 114.0802 62.4015 72.4219 172.0095 66 D 5.0310 8.7668 122.8677 53.5987 41.7438 175.2220 67 F 4.6454 8.3468 124.0512 56.3422 42.9819 174.4859 68 M 4.3257 8.9211 118.7796 55.4662 30.8022 176.3145 69 G 4.2749 7.9224 98.9664 47.8116 0.0000 173.8662 70 R 4.4440 8.2518 119.5353 56.6039 31.8626 176.2748 71 T 4.5523 7.0735 108.9131 60.7331 69.9219 172.4430 72 I 3.3285 7.7678 125.8223 60.6426 37.6569 173.7047 73 R 4.9155 8.0919 121.4703 55.3016 28.4597 175.7120 74 V 4.7724 7.4951 121.0512 60.6841 34.2711 175.4742 75 T 4.3510 8.8223 114.8390 61.1562 71.5526 172.0942 76 E 4.3021 8.9026 124.9382 56.1972 30.1226 177.0815 77 A 4.3809 8.7682 125.6912 52.3519 18.0868 177.1717 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 1 M 8.30 4.39 0.00 1.81 1.98 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.86 0.00 2 R 8.31 4.31 0.00 1.71 1.85 0.00 3.21 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.80 0.00 3 N 9.32 5.14 0.00 2.80 2.70 0.00 0.00 7.17 7.48 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 4 I 8.56 4.55 1.76 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 1.31 0.92 0.00 0.00 5 Y 9.22 4.60 0.00 2.94 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 6 V 8.23 4.73 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 0.66 0.00 0.00 0.95 0.00 0.00 7 G 8.30 4.42 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 0.00 8 N 8.21 4.38 0.00 2.87 2.93 0.00 0.00 7.02 7.73 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 9 L 7.85 4.31 0.00 1.67 1.51 0.91 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 10 V 7.79 4.17 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 0.79 0.00 0.00 0.41 0.00 0.00 11 Y 7.56 5.05 0.00 3.01 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 12 S 7.58 4.55 0.00 3.83 3.75 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 13 A 7.18 4.21 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 14 T 7.58 4.51 4.20 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 1.19 0.00 0.00 15 S 8.26 3.93 0.00 3.94 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 16 E 7.99 4.03 0.00 1.92 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 2.28 2.40 0.00 17 Q 7.72 4.21 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.82 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 18 V 8.23 3.90 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 0.50 0.00 0.00 0.73 0.00 0.00 19 K 7.92 3.35 0.00 2.03 2.09 0.00 1.31 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.41 1.48 7.81 20 E 8.09 4.30 0.00 1.97 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 0.00 2.32 2.36 0.00 21 L 7.75 4.32 0.00 1.77 1.83 0.88 0.95 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 22 F 9.25 4.35 0.00 3.17 3.15 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 0.00 23 S 7.80 4.66 0.00 4.14 4.13 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 0.00 0.00 0.00 0.00 24 Q 8.18 4.20 0.00 2.25 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.83 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 25 F 8.38 4.68 0.00 2.82 2.98 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 26 G 8.30 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.16 4.16 0.00 1.85 1.85 0.00 1.57 0.00 0.00 2.32 0.00 0.00 2.94 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.01 1.25 7.81 28 V 7.75 4.00 2.30 0.00 0.00 0.00 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 1.18 0.00 0.00 29 F 9.68 4.41 0.00 2.95 3.22 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.25 5.19 0.00 2.84 2.74 0.00 0.00 6.76 7.77 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 31 V 8.55 4.91 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 0.79 0.00 0.00 1.01 0.00 0.00 32 K 8.73 4.77 0.00 1.65 1.67 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.36 1.44 7.81 33 L 8.11 4.85 0.00 1.22 1.26 0.86 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 34 I 7.45 4.11 1.41 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.08 0.30 0.00 0.00 35 Y 7.85 5.22 0.00 2.87 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 36 D 9.31 4.12 0.00 2.90 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 37 R 8.05 4.03 0.00 2.00 2.08 0.00 3.33 0.00 0.00 3.35 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 38 E 8.20 4.85 0.00 2.03 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 0.00 2.33 2.28 0.00 39 T 7.91 4.35 4.21 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 0.00 0.00 0.00 1.20 0.00 0.00 40 K 8.04 3.64 0.00 1.77 1.66 0.00 1.48 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.07 1.05 7.81 41 K 7.81 4.97 0.00 1.71 1.75 0.00 1.56 0.00 0.00 1.69 0.00 0.00 2.44 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.42 1.32 7.81 42 P 0.00 4.99 0.00 2.10 2.11 0.00 4.00 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 1.85 0.00 43 K 7.81 3.85 0.00 1.89 1.91 0.00 2.14 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.17 1.27 7.81 44 G 7.79 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 6.36 4.87 0.00 3.16 3.20 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 46 G 9.46 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 F 8.93 4.94 0.00 3.01 2.84 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.67 4.68 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 0.97 0.00 0.00 0.91 0.00 0.00 49 E 9.87 5.12 0.00 2.27 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 0.00 2.23 2.60 0.00 50 M 8.55 5.29 0.00 1.93 1.91 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.64 2.57 0.00 51 Q 8.64 4.18 0.00 2.09 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 7.09 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 52 E 8.44 4.72 0.00 1.94 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 2.25 2.26 0.00 53 E 8.21 4.46 0.00 1.84 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 2.13 2.21 0.00 54 S 7.83 4.35 0.00 3.94 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.25 3.44 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 1.10 0.00 0.00 0.95 0.00 0.00 56 S 7.97 4.14 0.00 3.89 3.88 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 57 E 8.08 3.93 0.00 2.01 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 2.36 0.00 58 A 8.50 4.01 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 59 I 7.45 4.11 1.89 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 1.48 0.92 1.03 0.00 0.00 60 A 7.22 4.01 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 61 K 7.87 4.24 0.00 1.77 1.88 0.00 1.59 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 62 L 7.50 4.29 0.00 1.96 1.62 1.11 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.37 5.18 0.00 2.95 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 64 N 7.75 4.17 0.00 2.80 2.75 0.00 0.00 6.91 7.71 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 65 T 7.95 4.61 4.40 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 1.27 0.00 0.00 66 D 8.77 5.03 0.00 2.63 2.60 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 67 F 8.35 4.65 0.00 2.93 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 M 8.92 4.33 0.00 2.04 2.16 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.41 0.00 69 G 7.92 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 70 R 8.25 4.44 0.00 1.78 1.79 0.00 3.25 0.00 0.00 3.19 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.56 0.00 71 T 7.07 4.55 4.22 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 72 I 7.77 3.33 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.41 0.93 0.00 0.00 73 R 8.09 4.92 0.00 1.81 1.91 0.00 3.12 0.00 0.00 3.40 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 74 V 7.50 4.77 2.12 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 0.70 0.00 0.00 0.99 0.00 0.00 75 T 8.82 4.35 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 1.19 0.00 0.00 76 E 8.90 4.30 0.00 1.89 1.89 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 2.31 2.33 0.00 77 A 8.77 4.38 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 0.00 0.00