NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4826 8.1627 118.3252 55.3139 33.7642 173.1160 2 Q 4.8014 8.2332 119.0453 52.4022 31.9427 172.5017 3 I 4.7022 9.0523 119.9993 59.0257 42.1916 173.4771 4 F 5.4265 9.0596 120.7572 55.7003 42.7250 174.7081 5 V 4.8217 8.7666 121.0217 61.0791 34.8092 174.0167 6 K 4.8486 9.0132 130.1604 55.5320 33.7369 176.7723 7 T 4.7594 8.9221 118.6180 60.3598 70.2389 175.3965 8 L 4.1493 8.3945 120.6651 56.8844 41.5488 178.1182 9 T 4.2787 7.7260 107.7602 61.2019 69.3012 175.6478 10 G 3.9407 8.1166 111.2549 44.8315 0.0000 173.7689 11 K 4.1633 7.6266 120.8221 56.6824 33.4988 175.5374 12 T 5.1725 8.4869 123.5650 61.9134 70.1733 173.8150 13 I 4.6671 8.7687 120.0883 59.4144 40.8624 174.4199 14 T 4.9889 8.5087 120.2220 62.0085 70.5110 173.8339 15 L 4.7493 8.6151 125.8015 52.7867 45.3882 174.9521 16 E 4.8439 8.6820 124.0360 55.3089 30.7564 175.2610 17 V 4.6358 8.8108 119.9923 60.4064 36.1824 173.9276 18 E 4.6897 9.2280 118.8761 54.4636 33.7360 175.3784 19 P 4.1553 0.0000 0.0000 65.9410 31.4487 178.3751 20 S 4.4521 7.8725 109.0250 58.6894 63.8024 174.0250 21 D 4.4039 8.0380 123.4086 54.8461 41.2508 176.3185 22 T 4.7339 8.2087 113.8440 61.0847 71.4489 176.0028 23 I 3.7663 8.4318 122.7610 64.3976 37.1343 178.4651 24 E 3.9389 8.3306 120.3752 59.3275 29.5665 178.6301 25 N 4.3384 8.1123 116.5789 56.3029 38.5636 177.5623 26 V 3.5954 7.7461 119.6440 65.9920 31.5755 178.2830 27 K 4.4302 8.7360 119.6857 58.8251 31.8175 179.2271 28 A 3.9947 7.9647 120.9960 55.0296 18.2874 179.8696 29 K 3.9813 7.9111 116.6739 59.5583 32.0906 179.7343 30 I 3.7569 8.0007 120.3778 64.2392 36.9474 178.1684 31 Q 4.2150 8.2170 121.9653 58.7543 28.6375 178.1946 32 D 4.3597 7.8518 118.8696 57.1862 40.9306 178.6968 33 K 4.1346 7.9678 117.8153 59.1412 32.3024 178.5249 34 E 4.5949 8.6279 115.4881 55.3581 30.8039 177.2653 35 G 3.9002 8.3146 107.2935 45.2802 0.0000 173.3142 36 I 4.0490 7.4080 121.3797 59.5238 37.9418 173.7747 37 P 4.4029 0.0000 0.0000 61.9002 32.0840 175.4980 38 P 4.2244 0.0000 0.0000 65.8441 31.3431 177.8561 39 D 4.5599 8.0741 114.6757 54.8444 39.4578 176.4329 40 Q 4.4705 8.0228 118.1471 55.8451 29.8022 175.2198 41 Q 4.5121 7.9577 118.8518 54.4283 30.3123 174.5444 42 R 4.8158 8.3133 121.4032 54.7305 33.4253 173.3934 43 L 5.2820 8.6010 125.7120 53.1258 44.9002 175.4125 44 I 5.0762 8.7444 122.5334 59.5760 41.4671 174.3543 45 F 4.9997 8.8810 127.3773 56.8626 42.6691 174.4562 46 A 3.4428 9.0426 129.8749 53.1631 15.8438 177.3530 47 G 3.8340 8.0786 105.0212 46.5700 0.0000 173.6211 48 K 4.4338 7.9824 120.3882 54.2271 33.6948 175.1563 49 Q 4.5216 8.5217 125.6156 55.7073 29.6092 175.0338 50 L 3.9779 8.5075 127.6880 54.2171 42.8863 176.3276 51 E 4.4950 9.5466 123.7842 55.2261 31.0812 177.0180 52 D 4.4544 9.1736 123.9963 57.7672 40.9938 178.8056 53 G 3.8459 8.0683 103.9573 46.2688 0.0000 173.3890 54 R 4.4362 7.8645 119.6166 54.8565 31.8561 175.6728 55 T 4.9968 8.3462 110.1429 59.8462 71.1679 175.9832 56 L 4.0239 8.5091 122.0249 58.0878 42.0038 180.0305 57 S 4.0900 8.3388 113.2031 61.3697 62.4583 175.8239 58 D 4.2159 7.7577 119.0875 57.1724 40.5219 176.8947 59 Y 4.6261 7.3600 113.7130 57.2605 38.0336 175.0315 60 N 4.2675 8.2150 117.1030 54.4867 37.9189 173.7641 61 I 3.3632 7.7354 117.7329 60.3398 37.4883 175.9000 62 Q 4.5730 8.3529 124.8749 53.4083 31.1618 174.9566 63 K 4.0745 8.3326 118.0784 58.3595 32.2554 177.1286 64 E 3.9307 9.3871 121.5043 57.1665 27.8396 174.9138 65 S 4.6165 7.8917 115.5680 58.9627 64.3069 173.1357 66 T 5.2546 8.7037 118.2778 62.0308 70.5909 173.7496 67 L 5.1357 9.3671 126.2774 53.4160 45.2345 174.9356 68 H 5.1327 9.1469 118.5338 53.9901 31.5715 172.9308 69 L 4.8592 8.6805 125.8518 54.1372 43.2349 176.7581 70 V 4.1540 8.5333 118.6088 61.6319 32.2468 175.3354 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 8.16 4.48 0.00 2.11 2.24 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.56 0.00 2 Q 8.23 4.80 0.00 2.06 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.72 0.00 0.00 0.00 0.00 0.00 1.65 2.07 0.00 3 I 9.05 4.70 1.84 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.68 0.81 0.00 0.00 4 F 9.06 5.43 0.00 3.02 2.93 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 0.00 0.00 0.00 5 V 8.77 4.82 2.10 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 1.03 0.00 0.00 0.93 0.00 0.00 6 K 9.01 4.85 0.00 1.79 1.61 0.00 1.55 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.40 1.42 7.81 7 T 8.92 4.76 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 1.27 0.00 0.00 8 L 8.39 4.15 0.00 1.66 1.78 0.93 0.79 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 9 T 7.73 4.28 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 10 G 8.12 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 11 K 7.63 4.16 0.00 1.91 1.69 0.00 1.61 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.45 1.43 7.81 12 T 8.49 5.17 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 1.22 0.00 0.00 13 I 8.77 4.67 1.90 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 1.47 0.77 0.97 0.00 0.00 14 T 8.51 4.99 4.29 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 1.14 0.00 0.00 15 L 8.62 4.75 0.00 1.48 1.43 0.90 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.68 4.84 0.00 1.90 1.81 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 2.19 2.35 0.00 17 V 8.81 4.64 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 0.67 0.00 0.00 0.84 0.00 0.00 18 E 9.23 4.69 0.00 1.82 1.74 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 2.19 2.24 0.00 19 P 0.00 4.16 0.00 2.15 2.09 0.00 3.56 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 2.10 2.07 0.00 20 S 7.87 4.45 0.00 3.96 3.95 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 21 D 8.04 4.40 0.00 2.88 2.62 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.21 4.73 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 1.21 0.00 0.00 23 I 8.43 3.77 2.15 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.18 0.93 0.00 0.00 24 E 8.33 3.94 0.00 2.17 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 2.31 2.36 0.00 25 N 8.11 4.34 0.00 2.99 2.84 0.00 0.00 6.66 7.84 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 26 V 7.75 3.60 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 1.01 0.00 0.00 0.91 0.00 0.00 27 K 8.74 4.43 0.00 1.96 1.85 0.00 1.83 0.00 0.00 1.91 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.62 1.51 7.81 28 A 7.96 3.99 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 29 K 7.91 3.98 0.00 1.99 1.85 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.65 7.81 30 I 8.00 3.76 2.16 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 1.41 0.65 0.96 0.00 0.00 31 Q 8.22 4.22 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.34 0.00 32 D 7.85 4.36 0.00 2.87 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 33 K 7.97 4.13 0.00 1.89 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.01 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.57 1.62 7.81 34 E 8.63 4.59 0.00 1.86 1.97 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 2.25 2.44 0.00 35 G 8.31 3.90 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 36 I 7.41 4.05 1.87 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 1.42 0.90 0.91 0.00 0.00 37 P 0.00 4.40 0.00 2.30 1.97 0.00 3.62 0.00 0.00 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.11 0.00 38 P 0.00 4.22 0.00 2.17 2.12 0.00 3.60 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.09 0.00 39 D 8.07 4.56 0.00 2.77 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 40 Q 8.02 4.47 0.00 2.17 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.30 0.00 41 Q 7.96 4.51 0.00 2.29 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.47 0.00 42 R 8.31 4.82 0.00 1.83 1.92 0.00 3.14 0.00 0.00 3.34 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 43 L 8.60 5.28 0.00 1.59 1.51 0.91 0.81 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 44 I 8.74 5.08 1.89 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 1.12 1.12 0.90 0.00 0.00 45 F 8.88 5.00 0.00 3.00 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 46 A 9.04 3.44 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.08 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 48 K 7.98 4.43 0.00 1.84 1.71 0.00 1.85 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.58 7.81 49 Q 8.52 4.52 0.00 2.05 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.77 6.90 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 50 L 8.51 3.98 0.00 1.43 1.29 0.80 0.22 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 51 E 9.55 4.50 0.00 2.02 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 2.37 2.50 0.00 52 D 9.17 4.45 0.00 2.76 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 53 G 8.07 3.85 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 0.00 0.00 0.00 54 R 7.86 4.44 0.00 1.92 1.46 0.00 3.18 0.00 0.00 2.94 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.81 0.00 55 T 8.35 5.00 4.45 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 1.22 0.00 0.00 56 L 8.51 4.02 0.00 1.86 1.69 0.93 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.34 4.09 0.00 3.89 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 58 D 7.76 4.22 0.00 2.57 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 0.00 0.00 0.00 0.00 59 Y 7.36 4.63 0.00 3.07 3.02 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 60 N 8.22 4.27 0.00 3.01 3.11 0.00 0.00 7.14 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 61 I 7.74 3.36 1.78 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.10 0.57 0.00 0.00 62 Q 8.35 4.57 0.00 2.11 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.16 6.97 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 63 K 8.33 4.07 0.00 1.75 1.75 0.00 1.86 0.00 0.00 1.71 0.00 0.00 3.02 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.42 1.46 7.81 64 E 9.39 3.93 0.00 2.21 2.35 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 2.28 2.50 0.00 65 S 7.89 4.62 0.00 3.76 3.78 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 66 T 8.70 5.25 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 1.21 0.00 0.00 67 L 9.37 5.14 0.00 1.72 1.58 0.80 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 68 H 9.15 5.13 0.00 3.10 3.21 0.00 5.80 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 L 8.68 4.86 0.00 1.82 1.61 0.99 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 V 8.53 4.15 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 0.71 0.00 0.00 0.98 0.00 0.00