NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9423 8.0393 120.3901 61.9262 31.3645 174.6788 2 P 4.1553 0.0000 0.0000 62.3486 30.6571 176.7650 3 C 4.6057 9.2263 126.9317 56.1517 45.4037 174.3199 4 D 4.0910 7.6330 121.7363 54.1603 39.9211 173.8474 5 N 4.9349 8.3693 113.8147 53.5495 39.6109 175.8327 6 V 3.9740 7.6792 111.5532 62.1696 32.3081 175.1494 7 S 4.8088 7.7219 112.5243 56.1790 65.6846 172.6851 8 S 4.6049 8.4129 115.8127 56.7436 65.0153 174.0432 9 C 5.0580 8.6802 122.2325 54.1685 43.3884 171.7673 10 P 4.6207 0.0000 0.0000 62.9374 32.3889 177.6478 11 S 3.5059 8.4772 116.5344 58.3575 61.8298 171.3315 12 S 4.1690 8.5613 115.5947 59.2388 61.4798 173.3391 13 D 4.9855 8.3233 126.3409 52.4449 44.4604 174.3464 14 T 4.5160 8.0658 117.4603 60.8914 69.5690 173.4199 15 C 5.2569 8.9027 126.0114 56.4979 41.5937 172.4816 16 C 4.6145 9.1774 120.9468 56.7659 30.6595 172.7640 17 Q 4.3444 8.3898 125.2590 54.0730 29.8291 176.3844 18 L 4.4420 7.7083 131.2138 55.3745 41.4044 179.0320 19 T 4.0440 8.2280 109.8504 62.3724 68.4093 172.2562 20 S 3.5374 8.2251 124.5976 59.3232 63.6856 170.1524 21 G 3.5858 8.0816 118.0387 45.1527 0.0000 172.8145 22 E 4.8653 7.7488 121.5393 53.6100 32.7226 174.4823 23 W 4.8840 8.9813 122.5189 54.9464 31.5621 175.2794 24 G 4.3566 9.1897 110.4845 44.6698 0.0000 170.4848 25 C 5.4266 8.6993 117.2750 55.2621 41.8659 173.2603 26 C 4.6013 8.7039 125.0551 57.2923 32.5264 171.2618 27 P 4.1641 0.0000 0.0000 62.7658 31.0455 175.9272 28 I 3.8929 8.3384 124.7780 60.3882 38.3625 173.9570 29 P 4.7532 0.0000 0.0000 63.2943 31.9980 175.5611 30 E 3.5840 8.1181 116.7883 58.4676 26.0692 173.7384 31 A 4.2357 7.8238 121.2632 51.0417 17.7378 177.6307 32 V 4.2275 7.7718 121.6850 62.1631 33.8619 174.6185 33 C 5.0099 8.3258 116.5591 58.0806 31.4371 172.2130 34 C 5.0666 8.2493 115.2002 53.6647 44.1862 173.2811 35 S 4.0652 7.9312 114.1902 62.7029 62.6365 175.2451 36 D 4.5804 7.7203 119.9270 54.7535 41.4052 175.6094 37 H 4.9196 8.6771 120.2380 56.4118 29.7220 175.3727 38 Q 4.5968 8.0449 113.5918 55.4617 29.5433 174.1188 39 H 4.8733 7.6322 116.8872 55.9470 32.9156 171.4397 40 C 4.7401 8.2231 111.1562 57.7445 31.7058 173.7228 41 C 5.0793 8.5059 119.9181 53.7998 44.1995 171.8478 42 P 4.3958 0.0000 0.0000 62.8229 31.0625 175.5888 43 Q 4.0693 8.7030 118.0364 58.4842 28.3592 177.0801 44 G 3.8180 9.1641 110.9622 44.8159 0.0000 171.8712 45 Y 4.8816 7.7770 116.3787 56.5134 41.0831 174.3713 46 T 4.8221 8.9464 114.0133 60.7123 71.7680 170.3680 47 C 4.9914 8.8012 120.0880 54.7036 40.1233 173.0476 48 V 4.4459 8.3284 117.3794 60.0616 33.9482 176.4965 49 A 3.6384 9.2206 124.7599 52.1039 16.7844 177.2214 50 E 3.8662 7.7141 114.2290 57.3483 27.2673 173.8058 51 G 4.1869 7.5603 109.8238 46.0071 0.0000 172.8363 52 Q 4.5656 7.6598 120.7509 53.9576 32.4331 173.5969 53 C 5.4712 8.5057 117.5780 55.2562 43.3651 173.5108 54 Q 4.7528 9.0319 124.5523 54.1992 32.6157 175.4393 55 K 4.0917 8.5577 119.7998 56.5010 32.3447 175.8876 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 V 8.04 3.94 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 1.08 0.00 0.00 0.95 0.00 0.00 2 P 0.00 4.16 0.00 2.26 2.06 0.00 3.84 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 1.97 2.00 0.00 3 C 9.23 4.61 0.00 2.88 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 4 D 7.63 4.09 0.00 2.57 2.38 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 5 N 8.37 4.93 0.00 2.63 2.75 0.00 0.00 6.74 7.61 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 6 V 7.68 3.97 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 0.73 0.00 0.00 1.05 0.00 0.00 7 S 7.72 4.81 0.00 4.01 3.76 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.41 4.60 0.00 3.95 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 9 C 8.68 5.06 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 P 0.00 4.62 0.00 2.18 2.04 0.00 3.93 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.98 0.00 11 S 8.48 3.51 0.00 4.03 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 12 S 8.56 4.17 0.00 3.83 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 13 D 8.32 4.99 0.00 2.64 2.49 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.07 4.52 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 1.29 0.00 0.00 15 C 8.90 5.26 0.00 3.08 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 C 9.18 4.61 0.00 2.98 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 17 Q 8.39 4.34 0.00 0.97 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.68 6.64 0.00 0.00 0.00 0.00 0.00 1.71 1.16 0.00 18 L 7.71 4.44 0.00 1.56 1.36 0.88 1.15 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 19 T 8.23 4.04 4.19 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 0.00 0.00 0.00 1.16 0.00 0.00 20 S 8.23 3.54 0.00 3.98 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 21 G 8.08 3.59 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 0.00 22 E 7.75 4.87 0.00 1.83 1.84 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 2.30 2.25 0.00 23 W 8.98 4.88 0.00 3.12 3.16 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 24 G 9.19 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 0.00 0.00 0.00 0.00 25 C 8.70 5.43 0.00 2.88 3.28 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 0.00 26 C 8.70 4.60 0.00 3.01 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 27 P 0.00 4.16 0.00 2.08 2.03 0.00 3.74 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 2.04 2.10 0.00 28 I 8.34 3.89 1.95 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 1.51 0.70 0.98 0.00 0.00 29 P 0.00 4.75 0.00 2.22 2.12 0.00 3.98 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.98 0.00 30 E 8.12 3.58 0.00 2.13 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 2.23 2.29 0.00 31 A 7.82 4.24 1.27 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 0.00 0.00 32 V 7.77 4.23 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 0.87 0.00 0.00 1.04 0.00 0.00 33 C 8.33 5.01 0.00 2.96 2.78 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 34 C 8.25 5.07 0.00 3.13 3.08 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 0.00 0.00 0.00 35 S 7.93 4.07 0.00 3.89 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 36 D 7.72 4.58 0.00 2.71 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 37 H 8.68 4.92 0.00 3.10 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 Q 8.04 4.60 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.50 0.00 0.00 0.00 0.00 0.00 2.23 2.30 0.00 39 H 7.63 4.87 0.00 3.06 3.14 0.00 5.78 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 C 8.22 4.74 0.00 3.28 2.88 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 41 C 8.51 5.08 0.00 2.97 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 42 P 0.00 4.40 0.00 2.42 2.24 0.00 3.65 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.77 0.00 43 Q 8.70 4.07 0.00 2.20 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 5.69 0.00 0.00 0.00 0.00 0.00 2.39 2.44 0.00 44 G 9.16 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 45 Y 7.78 4.88 0.00 2.99 2.96 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 46 T 8.95 4.82 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 1.28 0.00 0.00 47 C 8.80 4.99 0.00 2.98 3.05 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 0.00 0.00 0.00 0.00 48 V 8.33 4.45 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 0.79 0.00 0.00 1.02 0.00 0.00 49 A 9.22 3.64 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 50 E 7.71 3.87 0.00 2.13 2.03 0.00 0.00 0.00 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 2.31 0.00 51 G 7.56 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 Q 7.66 4.57 0.00 2.11 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.80 0.00 0.00 0.00 0.00 0.00 2.30 2.32 0.00 53 C 8.51 5.47 0.00 2.65 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 54 Q 9.03 4.75 0.00 2.12 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.78 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 55 K 8.56 4.09 0.00 1.74 1.64 0.00 1.50 0.00 0.00 1.17 0.00 0.00 2.60 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.23 1.35 7.81