NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 V 4.0523 8.0544 120.3102 60.7407 33.5692 174.7415 3 I 4.1920 7.6702 120.8017 58.3817 40.0191 172.6667 4 A 4.8594 8.9136 130.4543 50.3373 22.8618 176.5558 5 T 4.0543 8.3269 116.2182 65.9584 68.6944 176.0339 6 D 4.7520 7.8896 119.0108 54.8742 41.1907 176.3685 7 D 4.8108 7.8826 117.7243 54.2379 42.1306 176.7561 8 L 5.1127 7.7404 117.1760 53.5100 44.7551 175.9765 9 E 5.3213 8.8312 118.9857 54.2798 33.3185 175.3011 10 V 4.6048 9.2431 124.0060 59.3091 34.7926 174.9348 11 A 4.3095 8.6434 125.4741 51.9813 18.8206 177.0482 12 C 4.2851 8.7770 122.2330 58.3690 32.5034 172.3229 13 P 4.2104 0.0000 0.0000 65.5238 30.9418 177.1758 14 K 4.6444 7.7687 113.8219 56.4834 37.1826 175.7552 15 C 4.9117 7.9164 113.9158 57.7296 29.8230 173.7098 16 E 5.2915 8.3592 114.3561 56.7612 29.6560 177.6904 17 R 4.6932 7.8154 113.6321 56.3090 33.5366 175.4227 18 A 4.4238 7.8572 117.5564 51.1020 21.4889 176.4825 19 G 3.9101 9.0791 103.0929 45.7605 0.0000 172.3886 20 E 4.7184 7.8267 114.9977 54.3419 32.9168 174.8097 21 I 4.2237 8.8694 120.8722 60.0885 38.8109 175.6516 22 E 3.4376 9.4171 128.9332 57.2585 27.2828 175.1804 23 G 3.9626 9.0492 104.4998 46.1414 0.0000 173.5134 24 T 4.6370 7.4247 116.5423 60.2068 71.4026 171.8000 25 P 4.4925 0.0000 0.0000 63.3590 31.0365 175.5809 26 C 4.3157 8.7571 123.2106 58.3660 32.3298 171.9399 27 P 3.9843 0.0000 0.0000 65.3972 31.0169 176.8195 28 A 4.6733 7.9257 116.7704 51.5318 20.4522 175.7515 29 C 4.6608 7.4647 110.6870 55.7790 30.4139 175.6068 30 S 4.3931 8.2381 128.1073 58.3694 61.4290 174.8801 31 G 4.0445 8.1546 101.1261 47.4015 0.0000 173.9172 32 K 4.3343 8.0581 118.7961 56.5180 35.0482 176.6365 33 G 4.7094 8.3944 107.2728 44.4082 0.0000 173.5798 34 V 4.9593 7.3943 110.5544 59.2547 34.6608 175.1282 35 I 4.6947 8.9891 115.3379 59.1471 41.0853 174.8179 36 L 5.0014 8.4470 122.8699 54.5305 43.5865 175.9471 37 T 4.6565 8.2979 110.9718 60.2014 71.7002 175.3439 38 A 4.0355 8.6833 121.9973 55.4814 18.3217 179.3917 39 Q 4.0429 8.1910 117.7057 59.4445 29.1811 178.7218 40 G 3.6574 8.0507 106.1564 47.9261 0.0000 175.1689 41 Y 3.9197 8.8041 119.5134 61.1097 37.9383 178.4289 42 T 4.0610 8.1705 116.8594 66.2113 68.6531 176.4560 43 L 4.2681 7.8009 120.3300 56.4624 41.8808 179.1075 44 L 4.0401 7.9656 120.3968 58.7844 40.7617 178.7200 45 D 4.6506 8.1586 118.5114 56.3741 41.2673 177.9726 46 F 4.0776 7.9514 121.2028 61.0669 39.2355 177.1832 47 I 4.0474 7.8831 112.4735 63.9867 37.1849 177.5643 48 Q 4.0070 8.6116 119.9944 59.2234 28.4390 178.5011 49 K 4.8604 7.7581 119.6480 57.2116 32.5483 177.3514 50 H 4.8365 7.4069 112.3766 56.1410 30.0057 173.9190 51 L 4.5890 7.6390 118.4336 55.9467 43.9408 177.2549 52 N 4.7751 8.0549 112.2978 53.0294 40.5457 174.9978 53 K 4.1642 9.1248 123.4199 56.3444 32.4296 175.8319 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 2 V 8.05 4.05 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 0.87 0.00 0.00 0.92 0.00 0.00 3 I 7.67 4.19 1.86 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.04 0.90 0.00 0.00 4 A 8.91 4.86 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 5 T 8.33 4.05 4.24 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 0.00 0.00 0.00 1.21 0.00 0.00 6 D 7.89 4.75 0.00 2.65 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 7 D 7.88 4.81 0.00 2.68 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 8 L 7.74 5.11 0.00 1.60 1.65 0.94 1.04 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 9 E 8.83 5.32 0.00 1.97 1.78 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 2.18 2.20 0.00 10 V 9.24 4.60 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 0.86 0.00 0.00 0.94 0.00 0.00 11 A 8.64 4.31 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 12 C 8.78 4.29 0.00 3.26 2.83 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 13 P 0.00 4.21 0.00 2.08 2.14 0.00 3.73 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 14 K 7.77 4.64 0.00 1.76 1.75 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.07 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.38 7.81 15 C 7.92 4.91 0.00 3.21 3.36 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 16 E 8.36 5.29 0.00 1.96 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 2.24 2.38 0.00 17 R 7.82 4.69 0.00 1.86 1.97 0.00 2.98 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.62 0.00 18 A 7.86 4.42 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.08 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 20 E 7.83 4.72 0.00 2.00 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 2.17 2.37 0.00 21 I 8.87 4.22 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 1.19 1.13 0.91 0.00 0.00 22 E 9.42 3.44 0.00 2.07 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 2.19 2.35 0.00 23 G 9.05 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.42 4.64 4.58 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 0.00 0.00 0.00 1.21 0.00 0.00 25 P 0.00 4.49 0.00 2.17 2.09 0.00 3.76 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.97 0.00 26 C 8.76 4.32 0.00 2.98 3.07 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 27 P 0.00 3.98 0.00 2.10 2.12 0.00 3.68 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 2.05 2.15 0.00 28 A 7.93 4.67 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.46 4.66 0.00 3.29 2.98 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 30 S 8.24 4.39 0.00 4.00 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 31 G 8.15 4.04 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 0.00 0.00 0.00 0.00 0.00 0.00 32 K 8.06 4.33 0.00 1.69 1.81 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.44 7.81 33 G 8.39 4.71 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 0.00 0.00 0.00 34 V 7.39 4.96 2.16 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 0.88 0.00 0.00 0.96 0.00 0.00 35 I 8.99 4.69 1.94 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 1.35 1.01 0.97 0.00 0.00 36 L 8.45 5.00 0.00 1.13 1.54 0.61 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 37 T 8.30 4.66 4.29 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 1.29 0.00 0.00 38 A 8.68 4.04 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 39 Q 8.19 4.04 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.84 0.00 0.00 0.00 0.00 0.00 2.43 2.43 0.00 40 G 8.05 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 41 Y 8.80 3.92 0.00 3.31 3.04 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 0.00 0.00 0.00 42 T 8.17 4.06 4.40 0.00 0.00 0.00 0.00 0.00 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 43 L 7.80 4.27 0.00 1.86 1.70 0.91 0.53 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 44 L 7.97 4.04 0.00 1.81 1.97 0.85 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 45 D 8.16 4.65 0.00 2.93 2.79 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 0.00 0.00 0.00 46 F 7.95 4.08 0.00 3.44 3.20 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.88 4.05 1.94 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 1.77 0.65 1.19 0.00 0.00 48 Q 8.61 4.01 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.92 0.00 0.00 0.00 0.00 0.00 2.53 2.52 0.00 49 K 7.76 4.86 0.00 1.72 1.61 0.00 1.40 0.00 0.00 1.48 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.23 7.81 50 H 7.41 4.84 0.00 3.03 3.15 0.00 5.84 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 7.64 4.59 0.00 1.67 1.64 0.94 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 52 N 8.05 4.78 0.00 2.65 2.83 0.00 0.00 6.74 7.60 0.00 0.00 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 K 9.12 4.16 0.00 1.84 1.62 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.34 1.52 7.81