NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4539 8.2893 120.3264 55.2503 33.4257 174.4242 2 I 4.2238 8.0397 114.8640 58.3346 40.1770 173.7046 3 N 4.6977 9.1677 121.5187 52.5497 40.8724 176.9279 4 E 4.0025 8.6754 128.2633 59.5913 29.6835 179.2872 5 I 3.7580 7.7708 119.3830 64.3424 37.1434 178.1271 6 E 3.9861 8.7872 119.6476 59.4534 29.2313 179.4676 7 I 3.7855 7.8595 119.6926 64.4286 37.2170 178.6997 8 K 4.0513 8.1837 119.2058 59.6130 31.8333 179.7454 9 R 3.9996 8.3732 118.6889 59.0927 29.9953 179.0824 10 K 3.9714 8.5361 119.9229 59.2875 32.1195 178.6534 11 F 4.2855 8.7406 121.3990 61.3187 39.3755 177.3539 12 G 3.7782 8.3150 106.6776 47.4529 0.0000 175.8748 13 R 3.9438 8.2541 120.7378 59.2462 29.9048 179.3820 14 T 3.6206 7.8709 115.5864 66.1633 68.2514 176.5722 15 L 3.9927 7.8593 122.4841 58.0335 42.1635 178.8555 16 K 3.9639 8.0242 119.5201 59.3481 32.0192 178.5442 17 K 3.8505 8.0531 119.7646 59.6133 32.1541 178.8749 18 I 3.5949 7.8207 120.3062 64.2846 36.9777 178.3475 19 R 3.8957 8.2268 120.1123 59.7031 29.9050 178.6968 20 T 3.8760 8.0395 109.5536 64.8500 68.5994 176.4451 21 Q 4.0034 8.0342 120.2013 58.6087 28.8657 178.4054 22 K 4.3610 7.8826 116.0839 55.8620 32.2159 177.2779 23 G 3.8139 7.9268 107.2247 46.3377 0.0000 173.5980 24 V 4.2566 7.7571 119.7921 60.4183 32.9232 176.4444 25 S 4.4479 8.3799 122.2394 57.9301 65.2087 174.9575 26 Q 3.9803 8.5854 121.4497 59.2326 28.3960 178.9464 27 E 3.9326 8.1092 119.7034 59.2747 29.7015 178.3622 28 E 3.9202 8.3313 119.4047 59.1198 29.6254 178.4338 29 L 3.9388 8.2746 120.4828 57.9699 42.1375 178.7281 30 A 4.0153 8.1891 120.7191 55.3216 18.1759 179.1776 31 D 4.3200 8.1968 117.2861 57.7763 40.7447 179.3109 32 L 4.0951 8.1320 117.9768 57.2007 41.7473 178.5227 33 A 4.4588 8.2702 118.1569 50.9216 19.4845 176.8874 34 G 3.8021 7.7525 103.8321 46.8282 0.0000 173.4326 35 L 4.7610 7.7827 117.0172 52.1560 45.9116 176.8412 36 H 4.6648 8.3220 116.4385 55.0193 31.0020 176.6058 37 R 3.9743 8.6549 124.1445 59.9781 29.8578 179.0298 38 T 3.8921 7.9990 109.0264 64.9094 68.6812 175.5170 39 Y 4.2190 8.1251 121.8290 60.6198 38.8023 177.9562 40 I 3.6848 7.8357 120.4396 64.5113 37.3253 178.3747 41 S 4.0695 8.2668 113.8654 61.3989 62.1909 176.0294 42 E 3.9226 8.3873 121.5675 59.3691 29.1781 179.5182 43 V 3.4605 7.8960 118.6195 66.0896 31.1480 177.9374 44 E 4.1699 8.4733 118.5490 59.2283 29.0696 178.7108 45 R 4.2030 7.8286 116.5344 56.6140 30.2740 176.9997 46 G 3.9101 7.9385 105.9132 46.8401 0.0000 173.8224 47 D 4.6920 8.1233 117.2479 54.1106 41.1568 176.4117 48 R 4.6763 7.4903 117.1415 54.3991 33.8266 174.9610 49 N 4.6738 8.2468 118.8551 51.2331 38.1429 173.2743 50 I 3.8168 7.6469 123.0107 60.3147 39.0075 176.5176 51 S 4.3965 7.9864 123.7620 57.6302 65.0521 174.9750 52 L 3.9227 8.5111 124.6615 58.7911 41.6442 179.4660 53 I 3.6853 7.7154 118.7637 64.6795 37.0566 178.0918 54 N 4.4211 8.2544 117.1528 55.9233 38.2912 177.4876 55 I 3.6690 8.0829 121.9364 64.6784 37.1717 177.6596 56 H 4.0343 8.4207 118.8922 59.3374 29.6890 177.3683 57 K 4.0031 8.2552 120.1801 59.5672 31.8869 179.5062 58 I 3.7401 7.9979 120.1417 64.5735 37.0668 178.3385 59 C 4.0904 8.2124 117.4459 62.6365 27.9343 175.9727 60 A 3.9409 8.1759 122.2915 55.2171 17.7684 179.5216 61 A 3.9910 7.9659 118.0145 54.8693 18.5079 178.8667 62 L 4.2786 7.7819 114.5528 53.4896 43.1069 176.1725 63 D 4.3328 7.9469 117.9682 55.0173 39.8809 173.3965 64 I 4.6250 7.8832 117.1841 57.6997 41.7201 173.3750 65 P 4.4088 0.0000 0.0000 62.2778 33.1103 177.2563 66 A 3.9812 8.7520 123.5227 55.4705 18.2475 180.2929 67 S 4.2928 8.1924 112.1324 62.1638 63.0532 176.8772 68 T 3.9035 7.9273 118.9853 65.9884 68.3076 176.1476 69 F 3.8128 8.3697 122.7315 61.5969 39.3648 177.3857 70 F 4.5395 8.6998 117.4975 60.3539 38.5185 177.6939 71 R 4.1319 8.3832 118.7704 59.4346 29.6485 178.7421 72 K 4.0437 7.8153 117.2012 59.6752 32.0895 178.7032 73 M 4.2064 7.6552 118.7067 58.0522 32.2246 177.7499 74 E 4.2163 8.1664 117.4685 58.4050 29.7936 177.1851 75 E 4.2735 7.8111 123.0478 56.5528 29.7086 176.3621 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 8.29 4.45 0.00 2.02 2.07 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.53 0.00 2 I 8.04 4.22 1.88 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 1.29 0.49 0.91 0.00 0.00 3 N 9.17 4.70 0.00 2.78 2.87 0.00 0.00 7.00 7.65 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 4 E 8.68 4.00 0.00 2.06 1.98 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 2.40 2.40 0.00 5 I 7.77 3.76 1.88 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 1.65 0.72 0.92 0.00 0.00 6 E 8.79 3.99 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.54 0.00 7 I 7.86 3.79 2.04 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.91 0.98 0.00 0.00 8 K 8.18 4.05 0.00 1.84 2.00 0.00 1.88 0.00 0.00 1.64 0.00 0.00 3.08 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.63 7.81 9 R 8.37 4.00 0.00 1.93 2.00 0.00 3.14 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 10 K 8.54 3.97 0.00 1.99 1.92 0.00 1.53 0.00 0.00 1.59 0.00 0.00 3.00 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.49 1.53 7.81 11 F 8.74 4.29 0.00 3.45 3.29 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 0.00 12 G 8.31 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 0.00 0.00 0.00 13 R 8.25 3.94 0.00 1.84 1.95 0.00 3.11 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.86 0.00 14 T 7.87 3.62 3.86 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 0.21 0.00 0.00 15 L 7.86 3.99 0.00 1.58 1.78 0.98 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.02 3.96 0.00 1.85 1.90 0.00 1.68 0.00 0.00 1.56 0.00 0.00 2.88 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.41 1.43 7.81 17 K 8.05 3.85 0.00 1.86 1.79 0.00 1.60 0.00 0.00 1.52 0.00 0.00 2.88 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.35 1.42 7.81 18 I 7.82 3.59 1.78 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.25 0.90 0.00 0.00 19 R 8.23 3.90 0.00 1.87 2.05 0.00 3.31 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.63 0.00 20 T 8.04 3.88 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 1.21 0.00 0.00 21 Q 8.03 4.00 0.00 2.21 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 22 K 7.88 4.36 0.00 1.74 1.83 0.00 1.79 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.57 7.81 23 G 7.93 3.81 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 0.00 0.00 0.00 24 V 7.76 4.26 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 0.86 0.00 0.00 0.97 0.00 0.00 25 S 8.38 4.45 0.00 4.09 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 26 Q 8.59 3.98 0.00 2.13 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.44 0.00 27 E 8.11 3.93 0.00 2.09 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 2.39 2.44 0.00 28 E 8.33 3.92 0.00 2.09 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 2.32 0.00 29 L 8.27 3.94 0.00 1.80 1.82 0.94 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 30 A 8.19 4.02 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.20 4.32 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 32 L 8.13 4.10 0.00 1.60 1.73 0.99 0.74 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 33 A 8.27 4.46 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.75 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 7.78 4.76 0.00 1.68 1.61 1.05 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 36 H 8.32 4.66 0.00 3.31 3.27 0.00 5.83 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.65 3.97 0.00 2.02 1.98 0.00 3.34 0.00 0.00 3.41 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.70 0.00 38 T 8.00 3.89 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 1.24 0.00 0.00 39 Y 8.13 4.22 0.00 3.13 3.27 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 40 I 7.84 3.68 2.07 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.89 0.94 0.00 0.00 41 S 8.27 4.07 0.00 3.90 4.03 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.39 3.92 0.00 2.07 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 2.32 2.39 0.00 43 V 7.90 3.46 2.03 0.00 0.00 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 0.28 0.00 0.00 44 E 8.47 4.17 0.00 2.16 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 2.48 2.50 0.00 45 R 7.83 4.20 0.00 2.01 2.15 0.00 3.51 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.64 0.00 46 G 7.94 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 47 D 8.12 4.69 0.00 2.79 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 48 R 7.49 4.68 0.00 1.56 1.73 0.00 3.40 0.00 0.00 3.16 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.27 0.00 49 N 8.25 4.67 0.00 2.62 2.71 0.00 0.00 6.95 7.94 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 50 I 7.65 3.82 1.69 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 1.43 1.07 0.15 0.00 0.00 51 S 7.99 4.40 0.00 4.13 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 52 L 8.51 3.92 0.00 1.77 1.73 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 53 I 7.72 3.69 1.86 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 1.62 0.66 0.89 0.00 0.00 54 N 8.25 4.42 0.00 2.84 3.00 0.00 0.00 7.06 7.47 0.00 0.00 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 I 8.08 3.67 2.08 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 1.26 0.61 0.92 0.00 0.00 56 H 8.42 4.03 0.00 3.34 3.53 0.00 5.79 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 57 K 8.26 4.00 0.00 2.00 1.86 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.69 7.81 58 I 8.00 3.74 1.94 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.79 0.90 0.00 0.00 59 C 8.21 4.09 0.00 2.93 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.18 3.94 1.34 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 0.00 0.00 0.00 61 A 7.97 3.99 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.78 4.28 0.00 1.67 1.72 0.96 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.95 4.33 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 4.63 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 1.35 1.08 1.03 0.00 0.00 65 P 0.00 4.41 0.00 2.24 1.98 0.00 3.69 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 2.13 2.16 0.00 66 A 8.75 3.98 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 67 S 8.19 4.29 0.00 4.15 4.23 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 68 T 7.93 3.90 4.41 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 1.21 0.00 0.00 69 F 8.37 3.81 0.00 2.99 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 70 F 8.70 4.54 0.00 3.25 3.34 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 0.00 71 R 8.38 4.13 0.00 2.08 2.09 0.00 3.11 0.00 0.00 3.18 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 72 K 7.82 4.04 0.00 1.61 1.64 0.00 1.57 0.00 0.00 1.44 0.00 0.00 2.91 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.37 1.50 7.81 73 M 7.66 4.21 0.00 2.37 2.08 0.00 0.00 0.00 0.00 0.00 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.60 0.00 74 E 8.17 4.22 0.00 2.19 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.54 0.00 75 E 7.81 4.27 0.00 2.01 1.84 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 2.33 2.49 0.00