NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3414 8.3349 115.2921 57.6618 63.8429 173.1541 3 R 3.5766 8.0257 114.4217 55.8705 27.3502 170.8664 4 V 4.4656 7.6152 117.3278 60.8241 34.5020 175.1517 5 C 3.7457 8.6223 127.9514 60.9370 31.6395 174.7881 6 Q 4.0132 7.8494 123.9600 56.8618 29.1099 174.6180 7 V 3.8978 7.6568 115.0738 63.2684 32.1357 176.5807 8 T 4.4119 7.6523 106.6232 60.1128 69.2726 173.6776 9 G 3.8764 8.2085 108.6005 46.4711 0.0000 173.6719 10 K 4.0192 7.5823 121.4235 55.9584 31.9910 176.7227 11 R 4.7540 8.2419 125.5214 53.5204 32.4213 173.8276 12 P 4.5816 0.0000 0.0000 62.7492 32.0804 176.2563 13 V 4.5090 8.1122 115.4985 60.2406 34.0288 175.2015 14 T 4.6283 8.1511 112.5360 60.9732 71.4003 174.3855 15 G 4.0970 7.4826 106.4875 46.2901 0.0000 171.6809 16 N 5.6325 8.7723 116.6501 51.5322 41.5270 174.8605 17 N 4.3049 8.9515 118.8328 53.6289 39.2763 175.7228 18 R 4.2881 8.0580 117.1767 55.9202 28.3706 174.1271 19 S 4.3385 7.4098 114.2528 57.9907 64.4835 173.3990 20 H 4.0820 8.6227 119.3945 57.3870 29.7696 174.8909 21 A 3.5993 8.2692 122.4884 51.7915 16.4277 177.9472 22 L 3.6415 7.0841 114.1816 56.4179 39.3253 173.4772 23 N 5.0464 8.0778 116.5492 51.3711 41.4673 175.4830 24 A 4.5931 8.5127 124.9894 51.9704 20.1181 177.5514 25 T 4.0804 8.1449 108.3200 60.6718 70.6622 172.3339 26 K 4.3984 8.8510 127.6405 57.6800 32.0651 176.2250 27 R 4.2951 8.6784 121.2860 57.5164 30.9612 173.5962 28 R 3.8020 7.4974 122.7223 54.8803 29.9512 175.7413 29 F 4.8034 8.5039 121.4342 56.1041 40.6756 174.6532 30 L 4.8026 8.0711 120.7757 53.2776 43.1245 174.2557 31 P 4.3214 0.0000 0.0000 62.8555 31.1778 175.1163 32 N 4.3612 8.0306 117.6191 52.2185 39.4986 171.9189 33 L 4.1573 7.5263 124.0826 54.2921 41.6988 175.1224 34 H 4.7100 8.8850 113.8676 55.8755 32.4179 174.2463 35 S 4.3456 7.9975 109.8388 58.7540 61.1176 170.8334 36 H 4.6172 8.0920 127.3290 56.1588 32.1120 173.5580 37 R 4.3863 7.4486 121.7261 55.1339 30.5081 175.7545 38 F 4.9502 9.1451 123.5641 55.5621 41.6200 175.1131 39 W 5.0537 9.1916 133.8388 55.9595 30.1262 176.3621 40 V 2.9630 8.2969 120.6917 62.4094 31.3630 175.8759 41 E 2.5400 6.1567 123.5487 56.6474 29.6886 176.1020 42 S 3.9319 7.6971 112.4309 61.5575 62.7076 175.2309 43 E 3.9547 7.9264 119.9222 55.2072 29.4776 176.4311 44 K 3.2848 7.6121 117.0725 57.4856 31.6932 173.7836 45 R 4.8153 7.0324 115.8919 53.5851 32.4956 175.9208 46 F 6.1529 8.5855 128.6066 56.9683 37.2626 175.9461 47 V 4.0925 7.9692 114.6367 62.0181 33.3350 176.8428 48 T 5.3192 8.5934 117.3227 60.5224 70.0871 172.9469 49 L 4.9683 8.7913 125.6470 52.2774 46.5650 176.3848 50 R 4.4304 8.3054 120.1263 55.9028 30.1493 176.9802 51 V 3.8134 7.8266 117.3297 63.1594 32.8013 174.3307 52 S 5.0709 8.2822 117.8398 55.6828 65.7827 173.3240 53 A 4.1633 8.4523 124.1347 53.6983 18.9813 177.5152 54 K 4.1942 9.1184 126.1179 58.0176 31.7991 178.4441 55 G 3.7636 7.9851 102.6323 47.5190 0.0000 174.7276 56 M 4.2608 7.9428 120.1380 58.7088 32.5090 178.1223 57 R 4.0447 8.0936 117.7160 59.4991 30.0306 178.9891 58 V 3.6727 7.6929 117.8455 66.0456 31.0726 177.8938 59 I 3.6247 7.8697 119.8140 64.5629 36.7099 177.1571 60 D 4.8852 7.4662 114.9556 54.2640 40.6484 175.8660 61 K 4.4000 7.3242 117.5359 58.1457 34.2527 177.7218 62 K 4.0137 8.8290 117.4648 59.6762 32.1162 176.1135 63 G 4.1110 8.0960 105.6286 44.7475 0.0000 173.8909 64 I 3.4081 8.3305 127.2410 64.3331 36.9664 177.6188 65 D 4.4233 7.8473 118.3727 56.3655 41.3495 178.7953 66 T 3.8933 7.5489 116.0505 66.2701 68.4670 176.8120 67 V 3.6036 8.7597 121.1307 66.0960 31.3281 178.2334 68 L 3.6535 7.4879 118.0619 56.8583 41.0085 179.4845 69 A 3.9040 7.7094 121.0161 56.8423 19.1465 178.6881 70 E 4.2283 8.2493 122.4393 55.6982 31.4905 176.4635 71 L 3.7186 9.1748 120.9426 56.8743 42.6038 176.5107 72 R 4.1217 6.4690 120.2615 59.0993 29.8744 178.8190 73 A 4.1313 7.7536 121.4249 55.2268 18.6038 179.6485 74 R 4.0701 7.7915 112.3981 57.6790 29.6451 177.1203 75 G 3.9990 8.0167 108.2246 45.6902 0.0000 173.3309 76 E 4.5207 7.9257 120.7978 54.1145 32.3002 178.4251 77 K 4.4192 7.9397 121.5234 55.0421 31.9508 176.2546 78 Y 3.9863 8.8789 118.9907 57.9411 39.5511 168.3952 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 S 8.33 4.34 0.00 3.86 3.93 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 0.00 0.00 0.00 3 R 8.03 3.58 0.00 2.03 1.96 0.00 3.23 0.00 0.00 3.20 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.68 0.00 4 V 7.62 4.47 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 1.00 0.00 0.00 0.99 0.00 0.00 5 C 8.62 3.75 0.00 3.02 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 6 Q 7.85 4.01 0.00 2.34 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.45 6.69 0.00 0.00 0.00 0.00 0.00 2.26 2.28 0.00 7 V 7.66 3.90 2.01 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 0.87 0.00 0.00 0.90 0.00 0.00 8 T 7.65 4.41 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 9 G 8.21 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 0.00 0.00 0.00 10 K 7.58 4.02 0.00 1.87 1.72 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.41 7.81 11 R 8.24 4.75 0.00 1.84 1.86 0.00 3.26 0.00 0.00 3.29 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.80 0.00 12 P 0.00 4.58 0.00 2.20 2.09 0.00 3.77 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.99 0.00 13 V 8.11 4.51 2.22 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 0.79 0.00 0.00 1.17 0.00 0.00 14 T 8.15 4.63 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 1.21 0.00 0.00 15 G 7.48 4.10 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 0.00 0.00 0.00 16 N 8.77 5.63 0.00 2.58 2.68 0.00 0.00 6.80 8.00 0.00 0.00 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 N 8.95 4.30 0.00 2.59 2.87 0.00 0.00 7.13 7.19 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 18 R 8.06 4.29 0.00 1.84 1.90 0.00 3.13 0.00 0.00 3.94 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 19 S 7.41 4.34 0.00 4.06 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 20 H 8.62 4.08 0.00 3.24 3.26 0.00 5.99 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 A 8.27 3.60 1.36 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 22 L 7.08 3.64 0.00 1.81 1.68 0.90 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 23 N 8.08 5.05 0.00 2.58 2.70 0.00 0.00 6.94 7.49 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 24 A 8.51 4.59 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 25 T 8.14 4.08 4.21 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 1.20 0.00 0.00 26 K 8.85 4.40 0.00 1.62 1.79 0.00 1.86 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.37 7.81 27 R 8.68 4.30 0.00 1.55 1.89 0.00 2.81 0.00 0.00 2.43 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.65 0.00 28 R 7.50 3.80 0.00 2.13 2.03 0.00 2.97 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.60 0.00 29 F 8.50 4.80 0.00 3.14 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 30 L 8.07 4.80 0.00 1.71 1.61 0.94 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 31 P 0.00 4.32 0.00 2.07 2.08 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.11 0.00 32 N 8.03 4.36 0.00 2.68 2.77 0.00 0.00 7.03 7.78 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 33 L 7.53 4.16 0.00 1.76 1.63 0.93 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 34 H 8.89 4.71 0.00 3.14 3.26 0.00 5.85 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.00 4.35 0.00 4.10 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 H 8.09 4.62 0.00 3.25 3.23 0.00 5.85 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 7.45 4.39 0.00 1.31 1.34 0.00 2.21 0.00 0.00 2.87 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.20 0.00 38 F 9.15 4.95 0.00 3.24 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 39 W 9.19 5.05 0.00 3.16 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 40 V 8.30 2.96 1.96 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 0.76 0.00 0.00 0.67 0.00 0.00 41 E 6.16 2.54 0.00 1.73 1.66 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 2.18 2.34 0.00 42 S 7.70 3.93 0.00 3.93 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 43 E 7.93 3.95 0.00 1.99 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 2.36 2.29 0.00 44 K 7.61 3.28 0.00 1.76 1.83 0.00 1.88 0.00 0.00 1.59 0.00 0.00 3.08 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.58 7.81 45 R 7.03 4.82 0.00 1.97 1.79 0.00 3.19 0.00 0.00 3.14 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.71 0.00 46 F 8.59 6.15 0.00 3.31 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 47 V 7.97 4.09 2.35 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 0.96 0.00 0.00 1.16 0.00 0.00 48 T 8.59 5.32 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 49 L 8.79 4.97 0.00 1.71 1.51 0.67 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 50 R 8.31 4.43 0.00 1.79 1.93 0.00 3.33 0.00 0.00 3.18 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 51 V 7.83 3.81 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 1.17 0.00 0.00 1.02 0.00 0.00 52 S 8.28 5.07 0.00 4.00 3.92 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 0.00 0.00 0.00 0.00 53 A 8.45 4.16 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 54 K 9.12 4.19 0.00 1.94 1.90 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.93 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.36 7.81 55 G 7.99 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 0.00 0.00 0.00 56 M 7.94 4.26 0.00 2.20 2.27 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.97 2.81 0.00 57 R 8.09 4.04 0.00 2.06 2.01 0.00 3.19 0.00 0.00 3.28 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.73 0.00 58 V 7.69 3.67 2.25 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 1.00 0.00 0.00 0.99 0.00 0.00 59 I 7.87 3.62 2.01 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.03 0.72 0.00 0.00 60 D 7.47 4.89 0.00 2.74 2.73 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 61 K 7.32 4.40 0.00 1.77 1.86 0.00 1.68 0.00 0.00 1.70 0.00 0.00 3.07 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.32 1.40 7.81 62 K 8.83 4.01 0.00 1.83 1.80 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.45 1.36 7.81 63 G 8.10 4.11 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 0.00 0.00 0.00 64 I 8.33 3.41 1.84 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.15 0.88 0.00 0.00 65 D 7.85 4.42 0.00 2.62 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 66 T 7.55 3.89 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 1.17 0.00 0.00 67 V 8.76 3.60 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 0.85 0.00 0.00 0.82 0.00 0.00 68 L 7.49 3.65 0.00 1.40 0.98 0.64 0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 69 A 7.71 3.90 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 70 E 8.25 4.23 0.00 2.09 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 2.29 2.54 0.00 71 L 9.17 3.72 0.00 1.78 1.37 1.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 72 R 6.47 4.12 0.00 2.38 2.43 0.00 3.22 0.00 0.00 3.45 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.74 0.00 73 A 7.75 4.13 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 R 7.79 4.07 0.00 1.98 2.08 0.00 3.27 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.71 0.00 75 G 8.02 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 0.00 0.00 0.00 76 E 7.93 4.52 0.00 1.94 1.94 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 2.31 2.39 0.00 77 K 7.94 4.42 0.00 1.94 1.08 0.00 1.82 0.00 0.00 1.68 0.00 0.00 3.07 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.46 1.52 7.81 78 Y 8.88 3.99 0.00 3.06 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