NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5599 8.3193 115.2941 58.2819 63.6366 174.0330 2 T 4.1691 8.7873 118.5575 60.6746 71.0152 174.5818 3 I 3.8154 8.3862 121.9896 64.2895 37.4975 179.2492 4 E 3.9310 8.2618 119.7916 59.6216 29.3429 178.7226 5 E 4.0267 8.2509 118.2740 59.5898 29.5350 179.6807 6 R 4.0227 8.4446 118.3568 59.0781 30.1312 179.2585 7 V 3.8667 8.5175 118.6577 66.1071 31.4949 178.3290 8 K 4.0762 8.3420 118.2989 59.1351 31.8072 179.3410 9 K 4.0951 8.3929 120.2233 59.6228 32.0859 178.9730 10 I 3.7328 7.9609 120.0868 64.3607 36.9718 178.4503 11 I 3.8265 8.1267 120.8512 64.4062 37.0198 178.6805 12 G 3.6657 8.3819 106.6657 47.8093 0.0000 175.5499 13 E 3.9833 8.3477 121.0505 59.3667 29.3253 179.5443 14 Q 4.0493 8.1830 116.8906 58.5419 28.9155 178.0159 15 L 4.4480 8.0617 116.9955 53.6100 42.3358 176.6551 16 G 3.9420 7.7313 105.8305 46.9187 0.0000 174.1030 17 V 4.5056 7.6025 111.5553 58.5578 34.5596 176.3890 18 K 4.2755 8.2874 121.8569 56.4362 33.7112 177.8762 19 Q 4.0122 8.9157 120.7149 59.2392 28.7807 179.1482 20 E 3.9287 8.1665 113.9302 58.7484 29.6119 177.3296 21 E 4.1598 8.0960 119.2624 57.4323 30.2124 177.0407 22 V 4.0004 7.5022 120.5261 61.9473 30.0651 175.2731 23 T 4.3076 7.4555 114.0618 60.4020 70.4600 176.5947 24 N 4.3322 8.6800 119.9842 55.9683 38.7203 176.3764 25 N 4.7159 7.9299 112.5741 52.2224 38.0807 174.8560 26 A 4.1153 7.6311 123.9208 52.2643 19.1079 177.1839 27 S 4.4765 9.1176 118.3492 57.6042 63.4366 174.8558 28 F 4.2767 8.5642 127.3842 60.8990 38.9774 177.9748 29 V 3.6975 7.9552 118.1463 65.4532 31.5438 176.5618 30 E 4.3875 8.2984 117.2258 57.1443 29.9727 176.6547 31 D 4.7684 8.3731 117.0234 54.8401 43.2682 176.7255 32 L 4.4983 8.0210 115.7397 54.0769 41.8535 176.6658 33 G 3.8834 8.3551 104.9567 46.0972 0.0000 174.0252 34 A 4.2586 8.2232 123.1961 51.8944 19.0384 178.7155 35 D 4.8829 9.0155 123.8030 52.0298 42.8463 177.6992 36 S 4.1268 8.3665 114.2271 61.6822 62.6860 176.3322 37 L 3.8064 7.9487 122.6188 58.3504 41.8340 178.5211 38 D 4.3349 8.5014 118.9930 57.5095 40.8355 178.9480 39 T 3.7392 7.7162 109.7397 65.0483 68.7369 177.0464 40 V 3.6395 7.3258 115.1478 63.8428 31.4999 178.4859 41 E 3.9873 8.4251 118.6405 58.8962 29.2143 179.1148 42 L 3.8163 8.2972 121.0868 57.9870 42.0616 179.0040 43 V 3.4578 7.4518 117.8606 66.2844 31.3868 177.5639 44 M 3.9512 8.0983 117.5060 58.6546 32.0535 178.0418 45 A 3.9753 8.2191 121.0380 55.0869 18.5791 179.6661 46 L 4.1442 8.1240 117.5576 58.0330 41.7463 179.4776 47 E 4.3993 8.4219 120.1691 58.9911 29.1915 179.1653 48 E 3.9534 8.1683 118.2431 59.1624 29.7853 178.1221 49 E 3.8819 8.2096 118.6161 58.1175 29.6846 177.2107 50 F 4.7240 7.8046 114.2667 56.1799 40.1912 174.6369 51 D 4.4394 8.2178 119.0555 55.3600 39.3805 172.6456 52 T 4.7768 7.9460 111.8853 60.4268 71.2288 172.0996 53 E 4.6286 8.6532 125.4373 55.3542 30.8209 176.1995 54 I 4.2970 8.5254 122.8404 57.4611 38.8530 174.6551 55 P 4.3250 0.0000 0.0000 62.8101 33.0311 177.2526 56 D 4.3274 8.7170 121.4977 57.3380 40.5727 178.9714 57 E 4.0263 8.0679 117.1138 59.2864 29.8463 178.5326 58 E 4.1411 8.1244 118.8752 58.8406 29.6776 178.5300 59 A 3.9046 8.1122 121.0958 55.1535 18.1397 179.2117 60 E 3.8643 8.1156 116.9129 58.7222 29.7368 178.2183 61 K 4.4456 7.5974 115.4402 55.8371 33.9541 177.1010 62 M 4.3854 7.8307 122.2797 54.3113 30.5407 175.5582 63 T 4.6299 7.7493 109.8253 61.6485 70.9011 175.1261 64 T 4.5408 7.2326 112.4800 58.8763 73.1426 174.5188 65 V 3.4750 7.6641 121.4773 66.4518 31.4825 178.2132 66 Q 3.9134 8.1815 118.8480 59.0107 28.8371 177.9875 67 A 4.0380 7.8746 121.4958 55.1817 18.4071 179.5367 68 A 4.0626 8.0997 118.7949 55.2618 18.4996 179.8298 69 I 3.6250 8.0586 118.5565 64.8252 37.2263 178.4555 70 D 4.4207 8.6028 120.0289 57.2617 40.0811 178.1864 71 Y 3.9192 8.1623 120.0477 60.8313 39.0044 178.2453 72 I 3.6912 7.9437 120.6185 64.5298 36.9459 178.2264 73 N 4.3868 8.3787 116.5799 55.9753 38.4415 176.9181 74 G 3.7502 7.6876 104.5473 45.4546 0.0000 173.1371 75 H 4.8413 7.5693 117.5459 55.0093 29.7301 174.1777 76 Q 4.0367 8.1229 117.7518 56.0671 29.4942 176.9119 77 A 4.3302 8.5709 124.0198 52.3363 19.2166 176.7310 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 S 8.32 4.56 0.00 3.87 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 2 T 8.79 4.17 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 1.23 0.00 0.00 3 I 8.39 3.82 1.96 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 1.55 0.90 0.70 0.00 0.00 4 E 8.26 3.93 0.00 2.04 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 2.41 2.44 0.00 5 E 8.25 4.03 0.00 2.33 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 0.00 2.36 2.38 0.00 6 R 8.44 4.02 0.00 2.17 2.11 0.00 3.19 0.00 0.00 3.27 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.86 0.00 7 V 8.52 3.87 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 1.13 0.00 0.00 0.89 0.00 0.00 8 K 8.34 4.08 0.00 1.96 1.89 0.00 1.75 0.00 0.00 1.73 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.64 7.81 9 K 8.39 4.10 0.00 2.00 1.95 0.00 1.55 0.00 0.00 1.66 0.00 0.00 3.04 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.61 7.81 10 I 7.96 3.73 2.10 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.85 0.94 0.00 0.00 11 I 8.13 3.83 2.13 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.82 1.15 0.00 0.00 12 G 8.38 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 13 E 8.35 3.98 0.00 2.23 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 2.50 0.00 14 Q 8.18 4.05 0.00 2.06 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.82 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 15 L 8.06 4.45 0.00 1.71 1.74 1.08 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 16 G 7.73 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 17 V 7.60 4.51 2.11 0.00 0.00 0.00 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 0.98 0.00 0.00 18 K 8.29 4.28 0.00 2.10 1.94 0.00 1.74 0.00 0.00 1.82 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.64 1.47 7.81 19 Q 8.92 4.01 0.00 2.11 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.93 0.00 0.00 0.00 0.00 0.00 2.47 2.33 0.00 20 E 8.17 3.93 0.00 2.07 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 0.00 2.28 2.25 0.00 21 E 8.10 4.16 0.00 1.95 2.17 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 2.30 2.24 0.00 22 V 7.50 4.00 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 0.90 0.00 0.00 0.97 0.00 0.00 23 T 7.46 4.31 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 1.20 0.00 0.00 24 N 8.68 4.33 0.00 2.83 3.07 0.00 0.00 6.53 6.92 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 25 N 7.93 4.72 0.00 2.76 2.87 0.00 0.00 5.99 7.26 0.00 0.00 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 A 7.63 4.12 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 27 S 9.12 4.48 0.00 3.78 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 28 F 8.56 4.28 0.00 3.22 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 29 V 7.96 3.70 2.13 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 0.82 0.00 0.00 1.05 0.00 0.00 30 E 8.30 4.39 0.00 1.97 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 2.31 2.41 0.00 31 D 8.37 4.77 0.00 2.72 2.63 0.00 0.00 0.00 0.00 0.00 0.00 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 8.02 4.50 0.00 1.91 1.75 1.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 33 G 8.36 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 0.00 0.00 0.00 34 A 8.22 4.26 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 35 D 9.02 4.88 0.00 2.94 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 36 S 8.37 4.13 0.00 3.88 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 37 L 7.95 3.81 0.00 1.74 1.78 0.90 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.50 4.33 0.00 2.98 2.67 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 39 T 7.72 3.74 4.18 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 1.26 0.00 0.00 40 V 7.33 3.64 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 0.81 0.00 0.00 0.99 0.00 0.00 41 E 8.43 3.99 0.00 1.96 1.96 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 2.30 2.43 0.00 42 L 8.30 3.82 0.00 1.60 1.55 0.83 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.45 3.46 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.86 0.00 0.00 44 M 8.10 3.95 0.00 2.22 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.54 0.00 45 A 8.22 3.98 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.12 4.14 0.00 1.88 1.88 0.89 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.42 4.40 0.00 2.17 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 2.46 2.39 0.00 48 E 8.17 3.95 0.00 2.05 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 0.00 2.30 2.32 0.00 49 E 8.21 3.88 0.00 1.78 1.66 0.00 0.00 0.00 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 1.47 0.00 50 F 7.80 4.72 0.00 3.29 3.01 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 0.00 0.00 0.00 51 D 8.22 4.44 0.00 2.75 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 52 T 7.95 4.78 4.36 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 1.39 0.00 0.00 53 E 8.65 4.63 0.00 2.04 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 0.00 2.30 2.29 0.00 54 I 8.53 4.30 1.67 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 0.52 1.00 0.42 0.00 0.00 55 P 0.00 4.33 0.00 2.16 1.99 0.00 3.61 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.23 0.00 56 D 8.72 4.33 0.00 2.66 2.69 0.00 0.00 0.00 0.00 0.00 0.00 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 8.07 4.03 0.00 2.12 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 0.00 2.28 2.40 0.00 58 E 8.12 4.14 0.00 2.12 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 2.44 2.40 0.00 59 A 8.11 3.90 1.22 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 0.00 0.00 60 E 8.12 3.86 0.00 1.98 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 0.00 2.33 2.36 0.00 61 K 7.60 4.45 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 62 M 7.83 4.39 0.00 2.03 2.09 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.61 0.00 63 T 7.75 4.63 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 1.27 0.00 0.00 64 T 7.23 4.54 4.12 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 1.11 0.00 0.00 65 V 7.66 3.48 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 1.08 0.00 0.00 0.77 0.00 0.00 66 Q 8.18 3.91 0.00 2.35 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 67 A 7.87 4.04 1.41 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 0.00 0.00 0.00 68 A 8.10 4.06 1.59 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 0.00 0.00 0.00 0.00 0.00 0.00 69 I 8.06 3.62 2.00 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 1.54 0.69 0.90 0.00 0.00 70 D 8.60 4.42 0.00 2.68 2.73 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 0.00 0.00 0.00 0.00 71 Y 8.16 3.92 0.00 3.14 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 72 I 7.94 3.69 1.52 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 1.67 0.85 -0.30 0.00 0.00 73 N 8.38 4.39 0.00 2.72 2.83 0.00 0.00 7.05 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 G 7.69 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 75 H 7.57 4.84 0.00 2.83 3.13 0.00 5.86 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 Q 8.12 4.04 0.00 2.02 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 77 A 8.57 4.33 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