NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 E 4.2613 8.4449 121.4684 55.4932 32.2604 175.6486 4 R 3.8765 7.7189 116.7353 55.5102 31.3408 175.2611 5 P 4.1770 0.0000 0.0000 66.1383 32.1947 178.5585 6 L 3.8590 7.8685 116.7982 57.8564 41.5140 179.2051 7 D 4.3146 7.9200 118.6646 57.4173 40.9168 178.8981 8 V 3.5527 7.7331 118.1416 66.1123 31.2351 177.9502 9 I 3.5294 7.1136 118.3656 64.5501 37.2843 177.5555 10 H 4.3884 7.9720 119.0499 59.4196 29.4750 177.5654 11 R 3.9844 7.9678 118.8918 58.9236 30.1559 178.2879 12 S 4.4122 7.7665 112.8399 57.8561 63.0674 174.1824 13 L 4.2030 7.0385 122.1867 56.1509 41.8997 176.3020 14 D 4.3943 8.8197 119.2298 53.8944 39.0041 172.6697 15 K 4.6835 7.7288 119.7425 54.7238 36.3195 174.0277 16 D 5.2162 8.4535 121.9598 53.8903 42.6631 175.3447 17 V 5.0000 8.9294 117.8788 59.6195 36.9388 173.9122 18 L 5.0078 9.2048 124.8036 53.5075 44.3772 175.2478 19 V 4.6262 9.3183 127.8138 61.5741 33.2399 174.3019 20 I 4.5643 8.8052 130.4825 59.9903 38.7139 175.2691 21 L 4.9224 8.1063 127.0985 53.0678 43.3201 178.0229 22 K 3.9991 8.2482 120.9141 58.9044 31.8086 178.5976 23 K 4.0538 7.8449 120.6718 58.2962 32.4375 176.1017 24 G 3.4592 6.7167 109.9144 44.8753 0.0000 173.0139 25 F 5.0571 7.7378 116.1848 55.5620 41.2606 174.0837 26 E 5.1135 9.1051 116.8597 55.1683 34.5763 174.6280 27 F 5.3966 9.3871 119.2245 55.9426 42.9839 174.5722 28 R 5.0639 9.1064 121.7814 54.3758 33.8166 175.3842 29 G 3.9724 8.1228 108.0823 46.4761 0.0000 171.0833 30 R 4.9109 8.2723 121.4225 54.7496 31.4132 175.8745 31 L 4.6569 8.8384 130.3194 55.1655 42.8534 176.7764 32 I 4.6569 8.5600 118.8029 59.7456 38.8184 175.0830 33 G 4.1270 7.6554 110.3145 46.9093 0.0000 171.2593 34 Y 5.2356 7.6246 117.3151 56.6991 40.4960 171.8066 35 D 4.8160 8.4469 118.8218 51.5068 43.0616 176.3328 36 I 3.7456 8.4972 117.8023 64.0595 37.9351 175.8576 37 H 4.6159 8.1520 114.9642 55.4592 28.6755 175.0116 38 L 3.7749 7.9507 118.2832 55.7114 39.2874 174.3689 39 N 4.9041 8.3352 115.8203 53.4299 39.9780 174.7636 40 V 4.8511 8.9595 114.2867 59.7013 36.8651 174.4893 41 V 4.8183 8.4781 121.8641 61.2061 34.2217 174.4297 42 L 5.4188 8.8050 126.5168 52.9059 45.6767 175.2204 43 A 5.0601 9.3081 123.7007 50.5106 22.0027 176.0099 44 D 4.3223 8.0974 118.3800 55.2552 39.1191 173.4100 45 A 5.1381 8.1315 121.6597 50.9113 22.2697 177.4252 46 E 5.2374 9.6518 118.7469 54.8124 33.6883 174.6905 47 M 4.6289 9.2698 123.9282 54.2355 34.3481 174.5866 48 I 4.9713 9.0032 127.3280 59.6640 40.3953 174.4375 49 Q 4.7169 8.5850 126.0292 54.5137 32.0417 175.7848 50 D 4.4425 9.6638 122.7237 55.4576 38.3959 174.3638 51 G 3.9513 8.5283 103.6836 46.0724 0.0000 173.7413 52 E 4.5966 7.9665 119.0716 53.6357 32.2461 175.7149 53 V 4.1492 8.4966 123.8736 63.3356 31.9715 175.5609 54 V 4.3315 8.5452 120.4525 62.0803 33.6959 175.9305 55 K 4.5349 7.6264 117.4539 55.2750 36.6309 175.0173 56 R 5.1214 7.9335 119.6239 54.7892 34.0159 174.4858 57 Y 4.7523 9.3309 119.0487 56.2910 42.0855 176.8454 58 G 3.7525 8.9772 109.5222 49.1523 0.0000 173.4241 59 K 5.1907 7.9090 118.7501 55.3409 35.5444 175.1947 60 I 4.3482 8.5887 126.4359 59.8429 41.8300 173.2407 61 V 4.5534 8.3100 129.7719 61.8880 32.6091 174.7017 62 I 4.3254 8.5858 129.2828 59.2798 39.2221 175.5347 63 R 4.4935 8.4875 126.3100 55.7588 30.8111 178.1075 64 G 3.6715 9.6524 112.3216 48.3080 0.0000 175.1619 65 D 4.2789 8.1713 118.4698 56.5633 41.3438 176.3060 66 N 4.7881 7.7571 113.5214 52.7499 39.4275 174.5012 67 V 3.9449 7.6552 119.8801 62.5870 32.2664 175.2920 68 L 4.3671 9.0709 129.5804 57.3851 42.8775 176.1661 69 A 4.5879 7.3972 117.0624 51.2129 22.5859 175.0815 70 I 5.0465 8.2688 119.2926 59.5927 40.8361 175.2297 71 S 4.6858 9.1733 121.2338 55.7338 65.4892 171.2864 72 P 4.7976 0.0000 0.0000 62.6759 32.2353 176.4392 73 T 4.1346 8.8665 118.6086 64.0347 67.9449 174.1779 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 E 8.44 4.26 0.00 1.94 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 2.18 2.33 0.00 4 R 7.72 3.88 0.00 2.08 1.84 0.00 3.21 0.00 0.00 3.33 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.79 0.00 5 P 0.00 4.18 0.00 2.11 2.09 0.00 3.58 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.18 0.00 6 L 7.87 3.86 0.00 1.70 1.70 0.90 1.10 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 7 D 7.92 4.31 0.00 2.85 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 8 V 7.73 3.55 2.15 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 1.03 0.00 0.00 0.90 0.00 0.00 9 I 7.11 3.53 1.45 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.67 0.21 0.00 0.00 10 H 7.97 4.39 0.00 3.31 3.47 0.00 5.78 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 R 7.97 3.98 0.00 1.95 1.97 0.00 3.20 0.00 0.00 3.22 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 2.00 0.00 12 S 7.77 4.41 0.00 3.98 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 0.00 13 L 7.04 4.20 0.00 1.64 1.64 0.97 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.82 4.39 0.00 2.90 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 15 K 7.73 4.68 0.00 1.88 1.88 0.00 1.52 0.00 0.00 1.58 0.00 0.00 2.96 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.31 1.39 7.81 16 D 8.45 5.22 0.00 2.86 2.52 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 17 V 8.93 5.00 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 0.81 0.00 0.00 1.00 0.00 0.00 18 L 9.20 5.01 0.00 1.72 1.66 0.99 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 19 V 9.32 4.63 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 1.02 0.00 0.00 0.95 0.00 0.00 20 I 8.81 4.56 1.85 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 1.22 0.70 0.87 0.00 0.00 21 L 8.11 4.92 0.00 0.85 1.20 0.83 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 22 K 8.25 4.00 0.00 1.59 1.85 0.00 1.68 0.00 0.00 1.62 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.44 1.60 7.81 23 K 7.84 4.05 0.00 1.68 2.10 0.00 1.94 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.62 7.81 24 G 6.72 3.46 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 0.00 0.00 0.00 0.00 25 F 7.74 5.06 0.00 3.12 3.06 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 26 E 9.11 5.11 0.00 1.86 1.83 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 2.19 2.26 0.00 27 F 9.39 5.40 0.00 3.00 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 28 R 9.11 5.06 0.00 1.78 1.83 0.00 3.23 0.00 0.00 3.20 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 29 G 8.12 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 30 R 8.27 4.91 0.00 1.90 1.95 0.00 3.11 0.00 0.00 3.11 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.58 0.00 31 L 8.84 4.66 0.00 1.84 1.72 1.12 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 32 I 8.56 4.66 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 1.31 0.86 0.93 0.00 0.00 33 G 7.66 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 0.00 0.00 0.00 34 Y 7.62 5.24 0.00 3.00 2.92 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 0.00 0.00 0.00 35 D 8.45 4.82 0.00 2.63 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 36 I 8.50 3.75 1.82 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 1.38 0.65 0.61 0.00 0.00 37 H 8.15 4.62 0.00 3.21 3.31 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.95 3.77 0.00 1.85 1.81 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.34 4.90 0.00 2.93 2.73 0.00 0.00 6.80 7.18 0.00 0.00 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 V 8.96 4.85 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 0.75 0.00 0.00 0.89 0.00 0.00 41 V 8.48 4.82 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 0.97 0.00 0.00 0.91 0.00 0.00 42 L 8.80 5.42 0.00 1.60 1.52 0.95 0.33 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 43 A 9.31 5.06 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 44 D 8.10 4.32 0.00 2.80 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 45 A 8.13 5.14 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 46 E 9.65 5.24 0.00 1.92 1.85 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 2.26 2.28 0.00 47 M 9.27 4.63 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.27 0.00 48 I 9.00 4.97 1.86 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 1.23 0.70 0.91 0.00 0.00 49 Q 8.58 4.72 0.00 1.91 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.56 6.31 0.00 0.00 0.00 0.00 0.00 2.19 2.10 0.00 50 D 9.66 4.44 0.00 2.82 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 51 G 8.53 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 0.00 0.00 0.00 52 E 7.97 4.60 0.00 2.08 1.80 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 2.20 2.44 0.00 53 V 8.50 4.15 2.07 0.00 0.00 0.00 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 0.94 0.00 0.00 54 V 8.55 4.33 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 0.75 0.00 0.00 0.88 0.00 0.00 55 K 7.63 4.53 0.00 1.61 1.12 0.00 1.64 0.00 0.00 1.79 0.00 0.00 2.79 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.26 1.37 7.81 56 R 7.93 5.12 0.00 1.51 1.73 0.00 3.12 0.00 0.00 3.22 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 57 Y 9.33 4.75 0.00 2.89 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 58 G 8.98 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 59 K 7.91 5.19 0.00 1.76 1.66 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.32 1.56 7.81 60 I 8.59 4.35 1.55 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.71 0.67 0.00 0.00 61 V 8.31 4.55 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 0.85 0.00 0.00 0.89 0.00 0.00 62 I 8.59 4.33 1.69 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 0.14 0.72 0.00 0.00 63 R 8.49 4.49 0.00 1.85 1.83 0.00 3.11 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.59 0.00 64 G 9.65 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 65 D 8.17 4.28 0.00 2.62 2.72 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.76 4.79 0.00 2.80 2.78 0.00 0.00 6.48 7.56 0.00 0.00 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 V 7.66 3.94 2.18 0.00 0.00 0.00 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 0.93 0.00 0.00 68 L 9.07 4.37 0.00 1.59 1.82 0.90 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.40 4.59 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.27 5.05 1.84 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 1.22 0.69 0.89 0.00 0.00 71 S 9.17 4.69 0.00 3.81 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 72 P 0.00 4.80 0.00 2.11 2.02 0.00 3.81 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 73 T 8.87 4.13 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 1.22 0.00 0.00