NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 A 4.2354 8.2601 123.5775 51.3132 19.9507 175.2599 5 A 5.2538 7.9875 127.1966 51.2626 20.4405 176.8993 6 D 4.7278 8.8740 124.5196 53.8321 40.7604 175.6818 7 T 3.9561 7.7058 116.3058 63.2394 69.5441 173.0147 8 P 4.6433 0.0000 0.0000 62.7776 32.0800 175.7489 9 T 4.5366 8.1159 110.4622 59.5183 70.6586 174.1772 10 A 4.2402 8.5883 128.1857 52.3256 19.0889 177.3963 11 C 4.9849 8.5580 119.2105 55.0869 44.1765 174.0279 12 C 4.8737 8.0803 118.5121 55.2548 42.1083 174.0670 13 F 4.3424 8.5985 121.8115 57.1585 40.9602 175.3788 14 S 4.5767 7.6266 112.7374 56.3857 66.0012 172.5656 15 Y 5.0900 8.0323 117.7152 55.9327 41.0387 175.7333 16 T 4.0482 8.7220 117.9610 62.7474 67.9420 174.6617 17 S 4.4293 8.8267 124.3818 60.5135 63.3251 174.8533 18 R 4.5171 7.4370 114.7233 53.5864 31.7783 174.9904 19 Q 2.5200 7.9755 122.3081 55.3849 29.5120 175.3958 20 I 4.0016 6.6157 125.5311 59.4440 38.4207 173.6581 21 P 3.8324 0.0000 0.0000 62.8049 31.2102 176.8367 22 Q 3.9416 8.7194 125.1375 58.6892 28.9127 177.2464 23 N 4.7236 7.6080 112.4846 53.0477 37.9207 175.5217 24 F 4.7964 8.3462 118.9925 59.2055 39.5992 175.5547 25 I 4.1806 7.4778 122.3091 61.2661 36.8173 175.4252 26 A 4.5272 8.7054 128.1824 53.2553 20.3253 175.6265 27 D 4.7414 8.0153 113.5522 54.8634 44.8135 173.9076 28 Y 5.6055 9.7058 117.9828 56.1517 41.0175 173.7510 29 F 4.5179 9.0349 115.9998 55.5252 42.2599 172.2862 30 E 5.0337 8.7075 120.2456 54.9094 30.7496 175.4931 31 T 4.3491 9.0076 117.7363 61.0298 69.8366 174.3163 32 S 4.1185 8.9245 118.5234 58.5592 62.9578 175.2768 33 S 4.3868 8.4860 118.9786 60.0346 63.1539 175.3173 34 Q 4.1245 8.5655 120.6208 58.4841 28.7126 176.1719 35 C 4.5352 7.6199 115.8458 56.2107 40.8141 173.9026 36 S 4.1128 8.7675 117.9731 60.5401 62.6318 174.5300 37 K 4.6294 7.4979 117.8848 53.4993 34.7995 173.4521 38 P 4.7166 0.0000 0.0000 62.2913 33.0324 175.1091 39 G 4.1401 7.9619 104.4825 45.7338 0.0000 172.2267 40 V 4.6994 8.1209 121.0909 60.7610 34.3767 174.5036 41 I 4.5754 8.5144 128.9796 59.4182 39.3877 174.6988 42 F 5.1465 8.5092 126.9911 56.8773 40.5917 174.5839 43 L 5.1066 8.8151 126.1647 53.9001 43.6966 176.4389 44 T 4.8601 8.7122 117.4193 60.7404 70.5033 175.9342 45 K 4.0264 9.3373 121.3582 59.7592 31.9624 178.8657 46 R 4.0822 7.8526 114.4692 56.6874 30.1134 176.8463 47 S 4.1187 8.0474 113.2570 59.0916 60.8661 170.3328 48 R 4.1307 7.6627 120.5798 56.4829 30.4052 175.0218 49 Q 5.2537 8.4940 121.3245 54.0998 31.5666 175.0870 50 V 4.5233 8.8540 123.4141 61.2130 35.1368 173.5561 51 C 5.0939 8.8788 124.7764 56.4481 42.2443 172.4164 52 A 5.1300 9.2373 125.3687 49.8038 22.8351 174.7808 53 D 3.4660 8.1262 119.8013 52.3677 40.9222 175.5370 54 P 4.0899 0.0000 0.0000 64.7814 31.5102 177.7847 55 S 4.1486 8.1264 114.0737 60.6975 63.5144 175.3032 56 E 4.1613 8.0169 121.7539 55.2220 31.0450 177.1319 57 E 3.9569 8.8419 122.4697 59.6588 29.3997 179.7078 58 W 4.2469 8.1558 117.7123 58.9206 28.2069 178.4743 59 V 3.0929 6.5135 119.4630 64.4283 30.7781 178.1763 60 Q 3.9217 7.9410 118.8858 58.3332 28.4477 178.6960 61 K 3.9210 8.7474 120.9096 60.0077 32.2811 178.5127 62 Y 3.8464 8.6695 117.3423 60.7937 37.6044 178.5763 63 V 3.0982 8.4558 119.6825 65.8279 31.6735 177.5862 64 S 4.0264 8.4948 113.2022 61.9747 61.6657 176.0887 65 D 4.4212 8.8306 121.6483 57.4673 40.2827 179.0066 66 L 4.1029 7.5762 118.7019 57.6404 41.6724 179.0697 67 E 4.2011 8.2019 118.3048 59.3759 29.5809 179.1174 68 L 4.1299 8.2041 118.0172 57.2118 41.6663 177.9931 69 S 4.4693 7.5636 118.2786 58.6865 63.0584 173.7288 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 4 A 8.26 4.24 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 5 A 7.99 5.25 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 6 D 8.87 4.73 0.00 2.66 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 7 T 7.71 3.96 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 8 P 0.00 4.64 0.00 2.06 2.01 0.00 3.65 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.08 0.00 9 T 8.12 4.54 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 10 A 8.59 4.24 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.56 4.98 0.00 2.88 2.44 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 12 C 8.08 4.87 0.00 2.68 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 F 8.60 4.34 0.00 3.00 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 14 S 7.63 4.58 0.00 3.89 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 15 Y 8.03 5.09 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 16 T 8.72 4.05 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 1.60 0.00 0.00 17 S 8.83 4.43 0.00 3.94 3.93 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 18 R 7.44 4.52 0.00 1.78 1.82 0.00 2.96 0.00 0.00 3.05 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.52 0.00 19 Q 7.98 2.52 0.00 0.93 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.91 0.00 0.00 0.00 0.00 0.00 1.83 1.23 0.00 20 I 6.62 4.00 1.94 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.69 1.10 0.00 0.00 21 P 0.00 3.83 0.00 0.49 1.09 0.00 3.71 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.84 0.00 22 Q 8.72 3.94 0.00 1.27 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.80 6.97 0.00 0.00 0.00 0.00 0.00 2.12 1.93 0.00 23 N 7.61 4.72 0.00 2.84 2.81 0.00 0.00 6.03 7.43 0.00 0.00 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 F 8.35 4.80 0.00 3.17 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 25 I 7.48 4.18 1.98 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 1.38 0.78 1.00 0.00 0.00 26 A 8.71 4.53 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.02 4.74 0.00 2.81 2.65 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 28 Y 9.71 5.61 0.00 2.93 3.11 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 0.00 0.00 0.00 0.00 29 F 9.03 4.52 0.00 2.85 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 30 E 8.71 5.03 0.00 2.05 1.92 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 2.24 2.51 0.00 31 T 9.01 4.35 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 1.18 0.00 0.00 32 S 8.92 4.12 0.00 3.87 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 33 S 8.49 4.39 0.00 4.01 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 34 Q 8.57 4.12 0.00 2.03 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.91 0.00 0.00 0.00 0.00 0.00 2.40 2.33 0.00 35 C 7.62 4.54 0.00 2.98 2.82 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 36 S 8.77 4.11 0.00 4.03 4.11 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 0.00 0.00 0.00 0.00 37 K 7.50 4.63 0.00 1.62 1.76 0.00 1.77 0.00 0.00 1.79 0.00 0.00 3.09 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.20 1.25 7.81 38 P 0.00 4.72 0.00 2.15 2.03 0.00 3.87 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 39 G 7.96 4.14 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 V 8.12 4.70 1.52 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 0.23 0.00 0.00 0.74 0.00 0.00 41 I 8.51 4.58 0.70 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.50 0.52 0.00 0.00 42 F 8.51 5.15 0.00 3.13 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 43 L 8.82 5.11 0.00 1.89 1.68 1.05 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 44 T 8.71 4.86 4.44 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 1.35 0.00 0.00 45 K 9.34 4.03 0.00 1.86 1.95 0.00 1.76 0.00 0.00 1.92 0.00 0.00 3.13 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.53 1.52 7.81 46 R 7.85 4.08 0.00 1.76 1.95 0.00 3.20 0.00 0.00 3.15 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.57 0.00 47 S 8.05 4.12 0.00 4.09 4.07 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 0.00 0.00 0.00 0.00 48 R 7.66 4.13 0.00 1.86 1.85 0.00 3.08 0.00 0.00 3.17 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 49 Q 8.49 5.25 0.00 1.96 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.61 6.46 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 50 V 8.85 4.52 2.31 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 1.16 0.00 0.00 1.05 0.00 0.00 51 C 8.88 5.09 0.00 2.95 3.13 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 52 A 9.24 5.13 0.99 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 0.00 0.00 0.00 0.00 0.00 53 D 8.13 3.47 0.00 1.71 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 0.00 0.00 0.00 0.00 54 P 0.00 4.09 0.00 2.09 2.02 0.00 3.44 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 55 S 8.13 4.15 0.00 3.91 3.99 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 0.00 0.00 0.00 56 E 8.02 4.16 0.00 1.89 1.79 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 2.33 2.23 0.00 57 E 8.84 3.96 0.00 2.19 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 0.00 2.48 2.39 0.00 58 W 8.16 4.25 0.00 3.41 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 59 V 6.51 3.09 1.65 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 0.04 0.00 0.00 0.60 0.00 0.00 60 Q 7.94 3.92 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.42 0.00 61 K 8.75 3.92 0.00 1.97 2.20 0.00 1.66 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.55 1.73 7.81 62 Y 8.67 3.85 0.00 3.06 2.77 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 63 V 8.46 3.10 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.55 0.00 0.00 0.82 0.00 0.00 64 S 8.49 4.03 0.00 3.85 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 65 D 8.83 4.42 0.00 2.58 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 66 L 7.58 4.10 0.00 1.80 1.79 1.16 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.20 4.20 0.00 2.03 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 2.39 2.56 0.00 68 L 8.20 4.13 0.00 1.56 1.74 0.91 0.88 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 69 S 7.56 4.47 0.00 3.90 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