NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.6346 8.3049 120.3245 55.7871 33.3261 174.6364 2 S 4.5219 8.2337 114.3541 57.5166 70.0800 172.4962 3 E 3.8325 8.8799 118.9983 58.6756 29.5348 179.1161 4 S 3.5335 7.6732 110.9580 58.6914 63.7663 173.1089 5 I 3.5632 7.5221 117.6832 64.2495 38.0176 178.2804 6 V 3.1981 7.4154 118.7873 66.1005 31.2187 178.1321 7 T 3.7688 7.6262 115.0053 66.3431 68.2197 176.1827 8 K 3.8189 8.0622 121.5154 59.5729 32.1212 178.6639 9 I 3.6151 7.7849 120.0547 64.5525 36.9973 178.3157 10 I 3.6377 7.8318 120.5881 64.4444 36.8532 178.2879 11 S 4.0586 8.2303 113.9804 61.5273 62.1307 176.2513 12 I 3.6687 7.9788 122.6245 64.3211 36.8641 178.4589 13 V 3.5848 8.0687 119.3475 66.0426 31.3643 177.7791 14 Q 3.9217 8.1925 119.1479 59.3936 29.1304 177.9406 15 E 3.9986 8.5137 120.5640 59.2988 29.6046 178.6833 16 R 3.9484 8.4662 119.1522 59.1534 30.1119 178.8628 17 Q 4.4444 8.1549 117.0044 59.3117 28.1789 178.3791 18 N 4.3001 7.9923 118.6095 56.9104 39.0796 176.3147 19 M 4.2593 7.6811 118.4026 57.7765 32.5979 177.7931 20 D 4.4588 8.6682 118.3059 55.3696 40.8767 175.3099 21 D 4.6507 8.0721 119.6601 53.6041 40.2141 174.4333 22 G 3.9141 7.8772 110.2943 45.3696 0.0000 172.7873 23 A 4.6547 7.5660 123.1379 49.5611 20.7236 175.2269 24 P 4.6568 0.0000 0.0000 62.4362 33.1277 175.6026 25 V 4.1883 8.4824 118.9904 62.4027 33.3870 174.9738 26 K 4.7967 8.4392 124.5961 55.4343 33.2572 177.3251 27 T 4.0759 8.6669 122.7157 67.1902 68.4408 176.7289 28 R 3.9638 8.0620 118.9050 59.5010 30.1460 178.1863 29 D 4.4723 8.2601 117.0941 57.7611 41.0755 178.3773 30 I 3.6835 7.9183 119.8286 64.3848 37.0043 178.2975 31 A 4.0400 7.6766 120.4833 55.0623 18.0237 179.3239 32 D 4.2741 8.4674 117.5049 57.5395 40.7592 178.8116 33 A 3.9961 8.0994 119.9117 55.3403 18.5505 179.3427 34 A 4.0971 8.0239 117.6725 52.6736 18.9912 177.3247 35 G 3.6680 7.7747 104.7153 47.1708 0.0000 172.3597 36 L 4.8634 7.9719 117.7571 51.9854 45.9633 176.9534 37 S 4.5705 8.2448 112.6660 57.6619 64.4798 174.4270 38 I 3.7381 8.3455 128.3719 64.7403 36.9374 178.0020 39 Y 4.0227 8.0156 119.5833 60.7437 38.6286 177.4062 40 Q 3.6693 8.2389 119.9273 59.2476 28.9733 178.5851 41 V 3.6690 7.8290 119.0370 66.1373 31.5657 178.2225 42 R 3.7048 8.1315 115.8286 58.9084 29.0643 178.7658 43 L 3.6527 7.3762 119.8368 57.8288 41.5239 178.8261 44 Y 4.1598 7.0206 116.2281 61.1767 37.7529 178.8331 45 L 3.5097 7.7917 119.8716 57.6363 41.4496 179.3265 46 E 4.0793 8.1547 119.4203 59.2248 29.6985 178.8695 47 Q 3.9710 8.0498 118.0772 59.1420 28.8707 178.7632 48 L 4.0334 8.0931 119.9959 57.8751 41.5332 179.2197 49 H 4.9465 8.3937 119.8621 59.1495 29.7695 177.0007 50 D 4.3196 8.2067 118.3177 56.8212 41.1410 177.5937 51 V 3.9993 7.4252 110.3523 61.4029 32.1251 176.7069 52 G 4.0602 8.2460 108.3023 45.4458 0.0000 176.4512 53 V 3.5729 8.1210 119.9086 65.5047 31.9032 175.4084 54 L 5.3675 7.6922 118.3112 52.8623 45.2833 174.7832 55 E 5.2172 9.4949 122.1512 54.2516 33.1723 175.4980 56 K 3.5837 8.6598 125.0752 56.2533 32.6400 176.3327 57 V 4.0632 8.4901 129.2793 61.6346 30.4627 173.7897 58 N 5.0675 7.8091 120.0861 50.8813 39.7054 175.0085 59 A 4.1683 8.7886 123.7406 53.3822 20.3714 178.6152 60 G 4.3074 7.4242 103.7518 45.6397 0.0000 175.7857 61 K 4.3553 8.7238 119.3703 55.9306 33.7936 176.6787 62 G 3.9693 8.9475 109.1592 45.4831 0.0000 173.6346 63 V 4.5032 7.1218 112.2827 58.4700 34.5110 175.0679 64 P 4.2206 0.0000 0.0000 63.7208 31.5618 175.1611 65 G 3.7452 7.8484 111.8664 45.3204 0.0000 171.9477 66 L 4.9367 7.8468 123.4748 52.6711 44.7717 175.4179 67 W 5.2196 9.1842 123.3226 54.9707 31.9929 174.9403 68 R 5.1384 8.7418 123.7061 54.4027 33.1580 174.2382 69 L 4.9329 8.6775 126.0165 55.8036 41.5094 175.8433 70 L 4.6303 8.5655 118.1363 57.2057 44.2432 176.1706 71 E 4.2386 7.6761 122.0383 55.8089 29.5252 175.8032 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 4.63 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.50 0.00 2 S 8.23 4.52 0.00 3.80 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 3 E 8.88 3.83 0.00 1.99 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 0.00 2.30 2.22 0.00 4 S 7.67 3.53 0.00 3.93 3.68 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.52 3.56 1.78 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 1.44 1.11 0.75 0.00 0.00 6 V 7.42 3.20 1.88 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 0.89 0.00 0.00 0.32 0.00 0.00 7 T 7.63 3.77 4.34 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 1.17 0.00 0.00 8 K 8.06 3.82 0.00 1.77 1.97 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.46 7.81 9 I 7.78 3.62 1.93 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.66 0.81 0.00 0.00 10 I 7.83 3.64 1.98 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 1.36 0.77 0.89 0.00 0.00 11 S 8.23 4.06 0.00 3.85 4.04 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 12 I 7.98 3.67 2.02 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.74 0.91 0.00 0.00 13 V 8.07 3.58 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 1.01 0.00 0.00 1.00 0.00 0.00 14 Q 8.19 3.92 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.57 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 15 E 8.51 4.00 0.00 2.15 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 2.31 2.35 0.00 16 R 8.47 3.95 0.00 1.97 1.96 0.00 3.37 0.00 0.00 3.34 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 17 Q 8.15 4.44 0.00 2.30 2.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.94 0.00 0.00 0.00 0.00 0.00 2.71 2.40 0.00 18 N 7.99 4.30 0.00 2.94 3.06 0.00 0.00 7.23 7.59 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 19 M 7.68 4.26 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.58 0.00 20 D 8.67 4.46 0.00 2.74 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 21 D 8.07 4.65 0.00 2.80 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.88 3.91 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 0.00 0.00 0.00 23 A 7.57 4.65 1.25 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 0.00 0.00 24 P 0.00 4.66 0.00 2.19 2.13 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.94 0.00 25 V 8.48 4.19 2.22 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 1.03 0.00 0.00 1.05 0.00 0.00 26 K 8.44 4.80 0.00 1.84 1.76 0.00 1.77 0.00 0.00 1.85 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.48 1.54 7.81 27 T 8.67 4.08 4.46 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 1.37 0.00 0.00 28 R 8.06 3.96 0.00 1.89 2.15 0.00 3.18 0.00 0.00 3.29 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 29 D 8.26 4.47 0.00 2.81 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 30 I 7.92 3.68 2.00 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 1.47 1.03 0.86 0.00 0.00 31 A 7.68 4.04 1.44 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 0.00 0.00 0.00 0.00 0.00 0.00 32 D 8.47 4.27 0.00 2.88 2.74 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 33 A 8.10 4.00 1.35 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 0.00 0.00 34 A 8.02 4.10 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 35 G 7.77 3.67 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 0.00 0.00 0.00 0.00 0.00 0.00 36 L 7.97 4.86 0.00 1.62 1.63 0.97 1.10 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 37 S 8.24 4.57 0.00 3.93 3.77 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 0.00 0.00 0.00 0.00 38 I 8.35 3.74 1.95 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 1.57 0.83 0.99 0.00 0.00 39 Y 8.02 4.02 0.00 3.03 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 40 Q 8.24 3.67 0.00 2.23 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.69 0.00 0.00 0.00 0.00 0.00 2.55 2.61 0.00 41 V 7.83 3.67 2.21 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 1.00 0.00 0.00 1.04 0.00 0.00 42 R 8.13 3.70 0.00 2.12 2.21 0.00 2.91 0.00 0.00 3.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.43 0.00 43 L 7.38 3.65 0.00 1.31 1.30 0.51 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 44 Y 7.02 4.16 0.00 2.96 2.81 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 45 L 7.79 3.51 0.00 0.74 0.13 0.07 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.15 4.08 0.00 2.18 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 2.37 2.50 0.00 47 Q 8.05 3.97 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.51 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 48 L 8.09 4.03 0.00 1.77 1.71 0.85 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 49 H 8.39 4.95 0.00 3.66 3.66 0.00 5.63 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 D 8.21 4.32 0.00 2.74 2.70 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 51 V 7.43 4.00 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 0.93 0.00 0.00 1.01 0.00 0.00 52 G 8.25 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 53 V 8.12 3.57 2.25 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 0.91 0.00 0.00 0.93 0.00 0.00 54 L 7.69 5.37 0.00 1.83 1.86 0.85 0.81 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 55 E 9.49 5.22 0.00 2.06 1.90 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 2.20 2.26 0.00 56 K 8.66 3.58 0.00 1.53 1.36 0.00 1.51 0.00 0.00 1.57 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.37 1.32 7.81 57 V 8.49 4.06 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 0.89 0.00 0.00 0.95 0.00 0.00 58 N 7.81 5.07 0.00 2.58 2.49 0.00 0.00 6.26 7.12 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 59 A 8.79 4.17 1.27 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 60 G 7.42 4.31 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 0.00 61 K 8.72 4.36 0.00 1.72 1.73 0.00 1.65 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.47 7.81 62 G 8.95 3.97 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 0.00 0.00 0.00 63 V 7.12 4.50 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 0.79 0.00 0.00 0.89 0.00 0.00 64 P 0.00 4.22 0.00 2.05 2.14 0.00 3.68 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 2.03 2.09 0.00 65 G 7.85 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 0.00 0.00 0.00 66 L 7.85 4.94 0.00 1.71 1.51 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 67 W 9.18 5.22 0.00 3.26 3.12 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 68 R 8.74 5.14 0.00 1.86 1.73 0.00 3.10 0.00 0.00 3.23 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.59 0.00 69 L 8.68 4.93 0.00 1.70 1.69 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 70 L 8.57 4.63 0.00 1.75 1.77 0.94 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 71 E 7.68 4.24 0.00 2.26 1.90 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 2.37 2.38 0.00