NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 I 3.9989 8.0244 120.7851 61.1878 39.1019 172.8446 2 V 3.9991 7.2347 120.3086 62.7413 34.4991 169.0499 3 C 5.1009 8.5814 118.6039 55.2059 44.6237 173.2687 4 H 5.0572 8.5613 116.8333 56.0104 29.8510 174.6125 5 T 4.9656 8.5992 110.1987 60.3072 72.2004 173.4485 6 T 4.7791 8.3992 111.2277 60.0670 72.4570 170.7158 7 A 4.7788 8.7292 132.3798 53.5972 25.3235 179.2213 8 T 4.1792 9.1767 114.0107 65.4202 69.3860 175.4665 9 S 4.3478 7.9187 118.1895 57.6705 63.5993 172.4315 10 P 4.3916 0.0000 0.0000 65.5761 31.1522 176.0767 11 I 4.7645 7.2543 116.6037 59.4111 41.4623 172.8502 12 S 4.7074 8.6144 118.6992 57.4288 67.0455 172.5095 13 A 5.1074 8.3138 120.5736 50.1184 20.9884 175.8758 14 V 4.6047 8.2381 113.4029 61.0897 36.6896 174.4071 15 T 4.9366 8.2486 117.5350 61.8523 72.5175 174.4746 16 C 4.6112 8.6979 120.6501 55.4111 41.1864 171.8288 17 P 4.4203 0.0000 0.0000 61.5963 31.3560 174.1925 18 P 4.2237 0.0000 0.0000 64.3573 30.3217 175.1103 19 G 3.9840 7.9165 119.3890 46.4101 0.0000 172.5431 20 E 4.2689 7.4920 120.9146 56.3769 30.0393 177.2628 21 N 5.1982 9.1769 116.1233 52.8644 41.7996 173.6487 22 L 4.6584 7.5953 117.4305 55.0451 44.1138 174.9086 23 C 5.6973 8.5697 113.4006 55.6455 38.9607 172.9268 24 Y 5.1552 8.2144 118.4291 55.5029 42.0699 174.7417 25 R 4.4989 9.0152 118.3341 53.9034 31.5515 173.7981 26 K 4.0754 8.2834 120.8201 56.1591 32.6162 175.2658 27 M 4.7004 8.4578 126.1426 53.9917 32.4005 175.3309 28 W 5.0457 9.2261 125.7098 56.0846 34.2171 173.4749 29 C 5.2641 9.0079 119.1376 54.4348 47.9677 172.6032 30 D 4.6783 8.4960 121.3185 53.3713 41.5725 176.7576 31 A 3.8819 8.2786 125.1679 55.0965 18.3833 179.1243 32 F 4.2120 9.0577 113.6768 60.2538 39.6638 176.2339 33 C 4.2209 7.9116 119.9931 57.8486 39.4810 172.7263 34 S 4.4721 7.4689 122.3923 58.5047 64.0240 176.0413 35 S 4.6477 8.3687 118.0398 59.3095 61.0712 175.1750 36 R 4.4569 7.7808 115.1766 55.3832 31.1471 176.4309 37 G 3.9627 7.5086 109.7174 44.5737 0.0000 173.5119 38 K 4.8448 7.4981 116.8286 53.6480 36.2165 176.2327 39 V 3.9846 8.6847 125.2616 62.6617 33.1294 175.0005 40 V 4.5092 8.1921 125.6773 61.4448 33.5007 175.2522 41 E 5.0628 8.3600 129.2031 53.5625 29.1316 175.6093 42 L 3.8437 8.4678 124.0772 53.8596 43.6692 177.2039 43 G 4.0658 6.1160 106.2831 45.5981 0.0000 169.7694 44 C 4.9155 8.8217 113.8873 55.5223 39.6002 172.6824 45 A 4.7843 9.1541 124.1890 51.0341 22.0831 176.4865 46 A 4.6338 8.5883 122.0547 52.9116 20.9067 177.1269 47 T 4.6245 7.3408 102.9347 59.9094 72.1314 174.5603 48 C 4.4878 8.4943 119.5512 55.9721 39.3009 172.7940 49 P 4.5678 0.0000 0.0000 62.9924 30.4547 177.2201 50 S 4.2175 7.7687 115.0013 59.2761 63.4296 174.6568 51 K 4.8098 8.4384 124.1085 55.0321 33.4942 174.9382 52 K 4.4007 8.4057 114.9275 58.4425 34.6886 176.5907 53 P 4.6134 0.0000 0.0000 64.8577 31.8908 175.3943 54 Y 4.9567 7.2337 113.0552 58.2396 45.3795 175.2996 55 E 3.9746 6.3905 127.0240 54.2610 29.5230 173.8006 56 E 4.1637 8.4407 127.1248 55.5814 30.7214 176.4031 57 V 5.5772 8.2223 127.3219 60.7529 30.6127 173.6050 58 T 4.3091 9.3562 115.6064 61.8743 71.0428 173.7621 59 C 5.6211 8.5058 117.7696 55.4494 43.0723 174.1243 60 C 5.2386 8.9950 119.2324 55.1281 46.3820 174.5255 61 S 4.4739 8.9327 118.5784 58.5926 63.4868 173.0092 62 T 4.6816 7.3198 109.9844 59.4082 71.9541 172.6622 63 D 4.3691 8.3889 119.9048 55.0847 41.8983 176.8806 64 K 3.6382 8.7509 120.1902 58.6723 31.3835 175.7173 65 C 4.6375 8.2538 109.5755 55.9073 41.5345 173.6998 66 N 4.2642 7.9374 120.5561 56.4749 38.7419 173.2053 67 P 4.6315 0.0000 0.0000 62.0912 33.5243 172.6604 68 H 5.0811 7.9381 113.4465 53.3618 31.4202 170.6858 69 P 4.4086 0.0000 0.0000 63.3334 31.5678 174.3079 70 K 4.4663 8.0010 123.7656 58.3372 39.3774 176.9187 71 Q 4.3398 7.7708 121.9144 53.9331 26.7406 174.9877 72 R 4.5476 7.4508 118.8080 53.2638 33.6739 172.9680 73 P 4.3726 0.0000 0.0000 63.2698 30.2978 176.5284 74 G 3.7114 8.1924 112.3683 45.9696 0.0000 170.6415 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 I 8.02 4.00 1.86 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.33 0.91 0.00 0.00 2 V 7.23 4.00 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 0.77 0.00 0.00 0.92 0.00 0.00 3 C 8.58 5.10 0.00 3.16 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 4 H 8.56 5.06 0.00 3.19 3.11 0.00 5.55 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 T 8.60 4.97 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 1.24 0.00 0.00 6 T 8.40 4.78 4.26 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 0.00 0.00 0.00 1.21 0.00 0.00 7 A 8.73 4.78 1.08 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 0.00 0.00 8 T 9.18 4.18 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 1.26 0.00 0.00 9 S 7.92 4.35 0.00 3.90 3.95 0.00 0.00 0.00 0.00 0.00 0.00 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 4.39 0.00 2.18 2.19 0.00 3.77 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 2.00 1.97 0.00 11 I 7.25 4.76 1.86 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.84 0.90 0.00 0.00 12 S 8.61 4.71 0.00 3.92 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 13 A 8.31 5.11 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.24 4.60 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 0.82 0.00 0.00 0.95 0.00 0.00 15 T 8.25 4.94 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 1.23 0.00 0.00 16 C 8.70 4.61 0.00 3.07 3.09 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 0.00 0.00 0.00 17 P 0.00 4.42 0.00 2.18 2.07 0.00 3.79 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.96 0.00 18 P 0.00 4.22 0.00 2.20 2.17 0.00 3.83 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 1.99 1.97 0.00 19 G 7.92 3.98 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 0.00 0.00 0.00 20 E 7.49 4.27 0.00 2.11 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 2.44 2.42 0.00 21 N 9.18 5.20 0.00 2.50 2.78 0.00 0.00 6.73 7.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 L 7.60 4.66 0.00 1.88 1.76 0.95 0.65 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 23 C 8.57 5.70 0.00 2.88 3.10 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 0.00 0.00 0.00 24 Y 8.21 5.16 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 25 R 9.02 4.50 0.00 1.70 1.79 0.00 3.10 0.00 0.00 3.16 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 26 K 8.28 4.08 0.00 1.49 0.74 0.00 1.52 0.00 0.00 1.20 0.00 0.00 2.41 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.35 1.25 7.81 27 M 8.46 4.70 0.00 1.92 2.20 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 28 W 9.23 5.05 0.00 3.31 3.24 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 0.00 29 C 9.01 5.26 0.00 2.98 2.99 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 30 D 8.50 4.68 0.00 2.89 2.75 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 31 A 8.28 3.88 0.98 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 0.00 0.00 32 F 9.06 4.21 0.00 3.05 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 33 C 7.91 4.22 0.00 3.21 3.42 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 34 S 7.47 4.47 0.00 3.97 3.79 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 35 S 8.37 4.65 0.00 3.87 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 36 R 7.78 4.46 0.00 1.78 1.92 0.00 3.41 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.54 0.00 37 G 7.51 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 38 K 7.50 4.84 0.00 1.59 1.68 0.00 1.68 0.00 0.00 1.68 0.00 0.00 2.84 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.36 1.72 7.81 39 V 8.68 3.98 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 1.14 0.00 0.00 1.08 0.00 0.00 40 V 8.19 4.51 1.75 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 0.71 0.00 0.00 0.64 0.00 0.00 41 E 8.36 5.06 0.00 1.68 1.95 0.00 0.00 0.00 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 2.22 0.00 42 L 8.47 3.84 0.00 1.38 1.53 0.84 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 43 G 6.12 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 0.00 0.00 0.00 44 C 8.82 4.92 0.00 3.15 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 45 A 9.15 4.78 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 46 A 8.59 4.63 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 47 T 7.34 4.62 4.23 0.00 0.00 0.00 0.00 0.00 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 48 C 8.49 4.49 0.00 3.00 3.24 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 0.00 49 P 0.00 4.57 0.00 1.81 1.90 0.00 3.70 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 1.50 1.99 0.00 50 S 7.77 4.22 0.00 3.81 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 51 K 8.44 4.81 0.00 1.43 1.61 0.00 1.65 0.00 0.00 1.69 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.22 1.28 7.81 52 K 8.41 4.40 0.00 1.79 1.76 0.00 1.53 0.00 0.00 1.86 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.40 1.43 7.81 53 P 0.00 4.61 0.00 2.34 2.26 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.05 0.00 54 Y 7.23 4.96 0.00 3.15 3.09 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 0.00 0.00 0.00 55 E 6.39 3.97 0.00 1.16 1.50 0.00 0.00 0.00 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 2.45 0.00 56 E 8.44 4.16 0.00 2.03 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 2.34 2.23 0.00 57 V 8.22 5.58 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 1.07 0.00 0.00 0.87 0.00 0.00 58 T 9.36 4.31 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 1.23 0.00 0.00 59 C 8.51 5.62 0.00 2.83 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 60 C 8.99 5.24 0.00 3.00 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 61 S 8.93 4.47 0.00 4.01 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 7.32 4.68 4.23 0.00 0.00 0.00 0.00 0.00 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 63 D 8.39 4.37 0.00 2.75 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.75 3.64 0.00 2.01 1.91 0.00 1.51 0.00 0.00 1.83 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.46 7.81 65 C 8.25 4.64 0.00 3.05 3.19 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 66 N 7.94 4.26 0.00 2.70 2.95 0.00 0.00 7.04 8.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 P 0.00 4.63 0.00 2.03 1.94 0.00 3.76 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.84 0.00 68 H 7.94 5.08 0.00 3.18 3.28 0.00 5.72 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 69 P 0.00 4.41 0.00 2.22 2.10 0.00 3.85 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.97 0.00 70 K 8.00 4.47 0.00 1.82 1.86 0.00 1.42 0.00 0.00 1.58 0.00 0.00 2.86 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.17 1.19 7.81 71 Q 7.77 4.34 0.00 2.04 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.70 0.00 0.00 0.00 0.00 0.00 2.34 2.31 0.00 72 R 7.45 4.55 0.00 1.69 1.72 0.00 3.24 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.60 0.00 73 P 0.00 4.37 0.00 2.21 2.10 0.00 3.78 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 74 G 8.19 3.71 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