NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 31 S 4.3966 8.3344 115.4141 58.2435 63.5163 172.3468 32 V 4.0486 8.2506 125.7083 60.4153 32.7960 173.4617 33 A 4.6796 8.2873 130.3667 50.9670 21.3642 176.6874 34 C 3.8343 8.0718 116.3971 57.4081 31.8450 174.7460 35 L 3.8572 8.3700 123.0201 58.4027 41.2680 179.9877 36 S 4.0463 7.8649 111.9951 61.8032 62.4786 175.8327 37 C 4.2250 7.9533 118.7638 62.6818 27.6266 176.0912 38 R 3.8473 7.7724 119.6090 59.2323 29.7850 178.1185 39 K 4.0999 8.2460 118.4375 59.6993 32.3598 178.5606 40 R 4.0871 8.3953 116.0182 56.6659 30.2192 176.2977 41 H 4.0977 8.1257 115.0042 56.8418 26.5261 174.5814 42 I 4.4604 7.5438 110.8825 58.3891 39.8262 174.9333 43 K 3.9215 8.4215 123.1069 56.6395 32.0641 175.7292 44 C 4.4364 8.6283 127.1365 57.5481 31.7908 172.0250 45 P 4.2929 0.0000 0.0000 63.3514 31.2569 177.2531 46 G 4.2377 8.1376 108.5180 45.0693 0.0000 172.6802 47 G 4.0264 10.1978 104.6521 45.1199 0.0000 172.3612 48 N 4.6541 8.0901 117.0810 52.5574 40.0565 172.8912 49 P 4.6707 0.0000 0.0000 61.5357 32.5887 176.4155 50 C 4.8626 8.3408 115.3373 57.4710 30.4720 174.3943 51 Q 3.9693 8.7490 121.6283 59.4199 28.5891 178.9284 52 K 4.0280 7.9467 120.3890 59.1783 32.0620 178.8819 53 C 4.2971 7.8705 118.2550 62.0860 27.9658 176.0315 54 V 3.6058 7.6495 120.1135 66.0190 31.4473 177.8257 55 T 4.1284 8.4645 109.7269 64.0264 68.4391 175.3597 56 S 4.5115 7.8890 114.8516 57.0923 63.6732 173.7372 57 N 3.9978 8.0807 118.1802 55.3323 37.3939 173.1548 58 A 4.8041 8.0250 120.9492 50.1695 22.2772 176.4288 59 I 3.9327 8.0523 121.0985 60.8205 37.8246 175.4753 60 C 4.3249 8.5644 126.5234 58.9151 31.8844 172.3537 61 E 4.6709 8.4953 125.3961 54.8426 33.6005 174.6691 62 Y 4.6975 8.6146 121.3295 56.1433 39.2209 174.2085 63 L 4.4909 8.3633 123.1661 53.3197 42.9951 176.5502 64 E 3.7585 8.7014 121.8659 55.5822 29.9574 175.2103 65 P 4.3852 0.0000 0.0000 62.2450 32.0162 176.4314 66 S 4.2625 8.4908 117.5796 57.8783 63.5733 174.2795 67 K 4.0629 8.5543 123.0021 56.6425 32.3670 176.6490 68 K 4.6122 8.4182 122.8909 54.8880 34.0070 175.3786 69 I 4.7436 7.8709 113.4805 59.4714 40.8574 174.4496 70 V 4.4487 8.1618 113.4335 59.7053 33.6335 175.7794 71 V 4.5425 7.9022 115.8196 58.5730 36.0125 175.3162 72 S 4.3564 8.4068 115.1821 58.4390 63.9040 174.9512 73 T 3.8993 8.5835 125.2646 66.5458 68.3121 176.7396 74 K 3.9395 8.0025 121.1613 59.6840 32.3856 178.1448 75 Y 4.0526 8.0031 119.3632 60.4238 38.7213 177.1757 76 L 3.8237 8.1900 121.3330 58.5776 42.2163 179.2118 77 Q 4.2075 8.4242 119.3416 58.2039 28.5045 178.4569 78 Q 3.9289 7.9517 120.5880 58.3414 29.0484 177.8359 79 L 3.7008 7.4931 121.6848 58.0449 41.6573 178.8974 80 Q 3.9127 8.1806 118.3031 58.7674 28.6911 178.5865 81 K 3.8874 8.0960 120.6480 59.7464 32.2262 178.4801 82 D 4.3382 8.2282 119.2230 57.2673 40.7317 178.5720 83 L 3.9227 7.9365 120.8496 57.9930 42.0382 178.6200 84 N 4.2698 8.4560 117.3231 56.8551 38.9898 176.5284 85 D 4.3563 8.5987 120.5945 57.2802 40.8027 179.0139 86 K 3.8999 8.1554 118.8000 59.8104 32.0621 179.2070 87 T 3.8536 7.8893 115.7298 67.0648 68.3469 176.5774 88 E 3.9624 8.3768 119.9888 59.1071 29.3546 178.9674 89 E 4.0498 8.1020 119.5195 58.8122 29.7490 178.2885 90 N 4.3382 8.4165 117.1618 56.3437 38.1904 177.1067 91 N 4.3645 8.3972 118.0800 56.1803 38.1130 177.5242 92 R 3.9078 7.7544 120.2127 59.3333 30.2186 178.5374 93 L 4.0455 8.1110 118.9362 57.8682 41.2993 179.7439 94 K 4.0499 8.1442 118.0590 59.1544 31.6974 179.3383 95 A 4.1035 7.5276 120.2365 54.9154 18.5550 179.3716 96 L 4.1261 7.6350 116.5524 57.7784 41.6357 179.2370 97 L 4.1970 7.8167 116.8602 56.6102 41.5927 178.7995 98 L 4.3891 7.2816 117.3250 55.7831 41.6936 176.6485 99 E 4.0092 7.6931 118.5159 56.1859 29.1660 176.8946 100 R 4.0921 8.4747 123.4485 56.4614 30.1856 175.9692 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 31 S 8.33 4.40 0.00 4.02 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.25 4.05 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 0.94 0.00 0.00 0.95 0.00 0.00 33 A 8.29 4.68 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 34 C 8.07 3.83 0.00 2.64 1.55 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 35 L 8.37 3.86 0.00 1.61 1.76 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 36 S 7.86 4.05 0.00 3.82 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 37 C 7.95 4.23 0.00 3.09 3.14 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 38 R 7.77 3.85 0.00 1.91 2.12 0.00 3.26 0.00 0.00 3.14 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.61 0.00 39 K 8.25 4.10 0.00 1.98 1.84 0.00 1.74 0.00 0.00 1.71 0.00 0.00 3.22 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.45 1.53 7.81 40 R 8.40 4.09 0.00 1.78 1.96 0.00 3.48 0.00 0.00 3.21 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.80 0.00 41 H 8.13 4.10 0.00 3.30 3.42 0.00 5.64 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.54 4.46 1.88 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 1.44 0.62 0.92 0.00 0.00 43 K 8.42 3.92 0.00 1.75 1.78 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.43 1.44 7.81 44 C 8.63 4.44 0.00 3.01 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 P 0.00 4.29 0.00 2.24 2.18 0.00 3.92 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.98 0.00 46 G 8.14 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 0.00 0.00 0.00 0.00 47 G 10.20 4.03 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 0.00 0.00 0.00 0.00 0.00 0.00 48 N 8.09 4.65 0.00 2.77 2.76 0.00 0.00 6.88 7.69 0.00 0.00 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 4.67 0.00 2.10 1.96 0.00 3.76 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.09 0.00 50 C 8.34 4.86 0.00 3.18 3.18 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 0.00 0.00 0.00 0.00 51 Q 8.75 3.97 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.93 0.00 0.00 0.00 0.00 0.00 2.44 2.53 0.00 52 K 7.95 4.03 0.00 1.79 1.84 0.00 2.01 0.00 0.00 1.78 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.34 7.81 53 C 7.87 4.30 0.00 3.02 3.18 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 0.00 0.00 0.00 0.00 54 V 7.65 3.61 2.29 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 0.92 0.00 0.00 0.99 0.00 0.00 55 T 8.46 4.13 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 56 S 7.89 4.51 0.00 4.03 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 57 N 8.08 4.00 0.00 2.70 2.87 0.00 0.00 6.83 7.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 A 8.02 4.80 1.18 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 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.05 3.93 1.85 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 1.29 0.57 0.90 0.00 0.00 60 C 8.56 4.32 0.00 2.95 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.50 4.67 0.00 1.84 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 0.00 2.27 2.27 0.00 62 Y 8.61 4.70 0.00 2.86 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 63 L 8.36 4.49 0.00 1.65 1.61 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 64 E 8.70 3.76 0.00 1.94 1.91 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 2.32 2.40 0.00 65 P 0.00 4.39 0.00 2.09 1.99 0.00 3.75 0.00 0.00 3.73 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 66 S 8.49 4.26 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 67 K 8.55 4.06 0.00 1.77 1.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.45 1.41 7.81 68 K 8.42 4.61 0.00 1.74 1.72 0.00 1.72 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.35 7.81 69 I 7.87 4.74 1.87 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 1.43 0.66 0.91 0.00 0.00 70 V 8.16 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 0.77 0.00 0.00 0.93 0.00 0.00 71 V 7.90 4.54 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 1.00 0.00 0.00 72 S 8.41 4.36 0.00 3.92 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 73 T 8.58 3.90 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 1.26 0.00 0.00 74 K 8.00 3.94 0.00 1.85 1.85 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.92 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.55 1.52 7.81 75 Y 8.00 4.05 0.00 3.11 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 76 L 8.19 3.82 0.00 1.98 1.89 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 77 Q 8.42 4.21 0.00 2.09 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.60 0.00 0.00 0.00 0.00 0.00 2.53 2.39 0.00 78 Q 7.95 3.93 0.00 2.26 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 79 L 7.49 3.70 0.00 1.61 1.50 0.82 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.18 3.91 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.56 0.00 0.00 0.00 0.00 0.00 2.34 2.56 0.00 81 K 8.10 3.89 0.00 1.89 1.78 0.00 1.62 0.00 0.00 1.77 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.47 7.81 82 D 8.23 4.34 0.00 2.83 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 L 7.94 3.92 0.00 1.74 1.80 0.91 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.46 4.27 0.00 2.86 3.01 0.00 0.00 7.23 8.42 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 85 D 8.60 4.36 0.00 2.79 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 86 K 8.16 3.90 0.00 1.99 1.85 0.00 1.69 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.62 7.81 87 T 7.89 3.85 4.37 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 0.00 0.00 1.20 0.00 0.00 88 E 8.38 3.96 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.45 0.00 89 E 8.10 4.05 0.00 2.11 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 2.29 2.34 0.00 90 N 8.42 4.34 0.00 3.09 2.85 0.00 0.00 6.94 6.92 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 91 N 8.40 4.36 0.00 2.86 2.86 0.00 0.00 6.66 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 R 7.75 3.91 0.00 2.08 1.91 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.66 0.00 93 L 8.11 4.05 0.00 1.92 1.70 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 94 K 8.14 4.05 0.00 1.82 1.85 0.00 1.66 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.62 7.81 95 A 7.53 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 96 L 7.63 4.13 0.00 1.97 1.72 0.92 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 97 L 7.82 4.20 0.00 1.63 1.72 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.28 4.39 0.00 1.93 1.72 0.92 0.88 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 99 E 7.69 4.01 0.00 2.10 1.93 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 2.34 2.24 0.00 100 R 8.47 4.09 0.00 1.75 1.80 0.00 3.31 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.68 0.00