NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 5.1309 7.7574 114.8066 57.9176 64.8163 174.3686 5 G 3.7274 7.7508 109.4180 46.7780 0.0000 172.1707 6 D 4.9979 8.2367 119.3812 51.4334 40.6422 174.2057 7 N 4.3574 8.0457 120.0009 57.0964 38.8718 177.5329 8 V 3.3697 7.4128 115.0292 66.4190 32.0574 176.5331 9 R 3.9472 7.9992 119.2029 59.7098 30.0693 177.9486 10 S 4.4795 7.7178 112.2469 58.7512 63.3557 174.2161 11 S 4.4094 7.8111 120.2572 57.6924 64.8308 172.7060 12 A 4.3860 8.3478 125.6299 53.2721 18.2724 179.5262 13 G 3.3849 7.4423 102.5294 45.4516 0.0000 175.8116 14 A 3.9360 7.8366 121.3664 52.6696 19.0207 179.7010 15 V 3.5388 8.8246 118.7032 65.9222 31.5548 178.2339 16 R 3.6249 7.9454 117.3413 59.3593 29.8542 177.9989 17 D 4.6128 7.7049 118.0697 57.1651 41.3225 177.8169 18 A 4.1170 8.3471 121.0995 55.2839 18.4332 179.8317 19 G 3.6523 8.9101 104.9718 48.3993 0.0000 175.3204 20 G 3.7794 9.5999 109.6402 45.7048 0.0000 175.9295 21 A 3.9401 7.6704 121.4585 54.9560 19.4914 178.7659 22 F 3.8428 8.5394 116.1611 62.4469 39.1307 177.2293 23 G 3.8165 8.6219 103.8979 47.9544 0.0000 174.6272 24 K 3.8122 8.3948 122.3868 60.2271 32.1238 177.7756 25 R 3.6951 8.5650 117.5442 60.4002 29.7725 177.4510 26 E 3.8630 8.2137 118.9626 59.0333 29.8533 179.4620 27 Q 3.7929 8.0445 119.9661 59.0453 29.0697 177.9005 28 A 3.9318 7.9264 121.3364 55.4442 18.5396 178.8290 29 E 4.1602 8.2486 116.8156 60.1908 29.0050 179.4295 30 E 4.0243 8.3237 117.6871 59.9426 29.5476 179.5995 31 E 4.3915 7.9504 117.7192 59.4789 29.2651 179.4112 32 R 3.8492 8.7440 119.0846 59.3325 30.2317 177.6084 33 Y 4.3689 8.5288 116.1781 59.7629 38.2539 177.6552 34 F 4.7480 9.4708 119.8253 61.0295 39.1310 177.6159 35 R 3.9330 8.0862 117.9207 59.2580 29.8450 178.3138 36 A 4.0404 7.7181 120.4459 55.0978 18.0601 179.4490 37 R 3.8646 7.7368 115.8466 59.4549 30.1770 178.3020 38 A 4.0971 7.7595 119.4495 55.7671 18.5286 179.0143 39 K 3.6602 8.2196 113.9626 59.7757 32.1713 176.4327 40 E 4.0830 8.5070 124.6619 56.9065 29.5105 177.1629 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 S 7.76 5.13 0.00 3.99 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 5 G 7.75 3.73 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 0.00 0.00 0.00 6 D 8.24 5.00 0.00 2.69 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 7 N 8.05 4.36 0.00 2.76 2.89 0.00 0.00 6.57 7.68 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 8 V 7.41 3.37 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 0.73 0.00 0.00 0.92 0.00 0.00 9 R 8.00 3.95 0.00 1.83 2.01 0.00 3.17 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.67 0.00 10 S 7.72 4.48 0.00 4.03 3.84 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 11 S 7.81 4.41 0.00 3.89 3.52 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 12 A 8.35 4.39 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 G 7.44 3.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 3.94 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 15 V 8.82 3.54 2.24 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 0.99 0.00 0.00 0.96 0.00 0.00 16 R 7.95 3.62 0.00 1.89 1.97 0.00 3.18 0.00 0.00 3.26 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.68 0.00 17 D 7.70 4.61 0.00 2.88 2.80 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 18 A 8.35 4.12 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 19 G 8.91 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 0.00 0.00 0.00 20 G 9.60 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 21 A 7.67 3.94 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 22 F 8.54 3.84 0.00 3.39 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 23 G 8.62 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 0.00 0.00 0.00 24 K 8.39 3.81 0.00 1.81 2.00 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.47 7.81 25 R 8.56 3.70 0.00 2.01 1.75 0.00 3.23 0.00 0.00 3.12 8.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.81 0.00 26 E 8.21 3.86 0.00 1.82 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 2.08 1.81 0.00 27 Q 8.04 3.79 0.00 2.23 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.34 2.34 0.00 28 A 7.93 3.93 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 29 E 8.25 4.16 0.00 2.05 2.37 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 2.45 2.60 0.00 30 E 8.32 4.02 0.00 2.05 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.34 0.00 31 E 7.95 4.39 0.00 2.18 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 0.00 2.37 2.54 0.00 32 R 8.74 3.85 0.00 1.65 2.19 0.00 3.09 0.00 0.00 2.88 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 1.49 0.00 33 Y 8.53 4.37 0.00 3.16 2.97 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 F 9.47 4.75 0.00 3.23 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 35 R 8.09 3.93 0.00 1.88 1.96 0.00 3.11 0.00 0.00 3.18 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 36 A 7.72 4.04 1.44 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 0.00 0.00 37 R 7.74 3.86 0.00 1.95 2.26 0.00 3.36 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 38 A 7.76 4.10 1.35 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 0.00 0.00 0.00 0.00 0.00 39 K 8.22 3.66 0.00 1.97 1.85 0.00 1.79 0.00 0.00 1.63 0.00 0.00 2.97 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.54 7.81 40 E 8.51 4.08 0.00 1.93 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 0.00 2.36 2.36 0.00