NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 T 4.4866 8.0333 117.3236 63.6432 70.8155 172.3615 2 M 4.6282 8.9356 124.9687 54.5509 33.4706 173.4364 3 C 5.2543 9.8743 121.2245 54.9598 45.3043 172.9935 4 Y 4.6960 8.8837 119.2297 58.1184 38.0783 176.1946 5 S 4.6945 8.9142 114.6383 58.1469 64.0257 172.6570 6 H 4.9812 7.8936 117.0068 54.1386 32.3072 173.3575 7 T 4.0774 8.4886 109.7419 63.4375 69.0814 174.6911 8 T 4.5331 7.6547 111.5495 60.1398 71.1271 173.8609 9 T 4.2286 7.9737 111.4745 61.5848 69.2770 175.7754 10 S 4.2605 7.9551 119.5782 61.8442 63.1107 175.2418 11 R 4.0823 7.7378 117.9916 55.8069 30.9088 177.2158 12 A 4.4295 8.3208 126.4431 51.5616 17.4614 177.6050 13 I 4.6219 7.3118 120.3062 59.2425 41.5117 173.5684 14 L 5.0629 8.3806 125.6285 53.2027 46.0747 175.2417 15 T 4.5201 8.6919 114.4138 60.3933 70.3881 172.4030 16 N 4.9702 8.7263 127.5065 52.5585 39.1236 175.3043 17 C 4.5190 9.1842 124.5382 57.0858 41.8184 175.5946 18 G 3.7081 7.7239 109.3153 47.1756 0.0000 175.6086 19 E 4.2128 8.9290 124.2804 56.5625 29.7215 175.7110 20 N 4.7242 7.8193 118.4575 52.2461 40.3769 174.1995 21 S 4.6252 8.2763 116.8282 58.3908 65.1282 173.4346 22 C 5.2489 9.0280 118.1910 56.1158 36.7336 172.6659 23 Y 5.4677 8.6011 119.6719 55.2476 41.7612 174.3050 24 R 4.9473 9.2294 120.3763 54.5592 33.3772 173.7925 25 K 5.3307 9.4144 126.5322 55.3813 35.5735 175.3417 26 S 5.0318 8.8779 116.2778 56.6820 67.1498 173.2925 27 R 3.9275 8.5062 120.1610 56.3490 29.9910 178.1162 28 R 3.8547 8.7479 125.7301 58.8593 30.6195 176.4570 29 H 4.9084 7.6013 114.1163 52.8819 30.9048 172.7585 30 P 4.4449 0.0000 0.0000 61.7804 31.7939 174.5867 31 P 4.3188 0.0000 0.0000 62.8803 32.2029 177.7809 32 K 4.4789 8.5686 124.9067 54.8197 30.9396 176.6353 33 M 4.2640 7.4203 118.6043 54.9615 33.2457 177.5828 34 V 4.2078 8.3011 121.9041 63.2229 31.9116 175.4467 35 L 4.6508 9.0165 126.9927 54.0799 43.4381 176.5744 36 G 4.2803 7.4896 107.0700 46.4514 0.0000 172.0621 37 R 4.6878 8.0840 118.2455 54.4416 34.3462 176.1749 38 G 3.7062 6.2415 107.7570 46.5294 0.0000 171.2416 39 C 5.0469 8.7506 118.2388 56.9029 42.0978 173.2414 40 G 3.9650 9.8415 108.5755 45.0707 0.0000 173.1603 41 C 4.9508 8.0893 112.1517 54.9245 44.7281 172.6563 42 P 4.4274 0.0000 0.0000 61.1806 31.9642 175.3492 43 P 4.2868 0.0000 0.0000 62.6502 31.8701 176.7243 44 G 4.0443 8.3270 111.1561 45.0281 0.0000 171.3588 45 D 4.5040 8.3916 116.7761 52.8345 41.3949 175.7588 46 D 4.2732 8.8606 116.6926 56.9121 40.0632 176.7504 47 Y 4.2791 7.9669 119.4079 59.1890 40.2682 175.1116 48 L 5.0495 8.5832 121.7466 53.1366 44.6873 174.6738 49 E 4.8251 9.2238 127.8172 54.6831 31.7312 174.6714 50 V 4.8042 8.2785 125.6406 61.2845 34.1311 174.3976 51 K 4.7122 9.0192 127.9485 55.2472 34.3406 175.1410 52 C 5.6695 8.7056 120.3286 55.4362 44.4381 172.3138 53 C 5.3003 9.2297 117.0284 54.2127 44.7344 174.6253 54 T 4.1825 8.5881 108.9207 61.7762 70.1345 173.5966 55 S 4.5227 7.4755 114.8403 56.4922 65.2009 172.3397 56 P 4.5376 0.0000 0.0000 62.1275 32.1791 175.2439 57 D 4.3266 8.3667 117.4746 55.8961 41.1170 176.2407 58 K 3.7324 9.1082 120.4983 57.5155 30.0117 175.5307 59 C 4.5224 7.8515 114.0065 57.6060 41.6754 173.5683 60 N 4.8596 8.0707 117.4561 52.9310 37.2896 174.3229 61 Y 4.1004 7.9210 125.8243 58.6943 38.7686 175.7674 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 T 8.03 4.49 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 1.24 0.00 0.00 2 M 8.94 4.63 0.00 1.84 1.88 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.69 0.00 3 C 9.87 5.25 0.00 2.73 2.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 Y 8.88 4.70 0.00 3.02 2.81 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.91 4.69 0.00 3.84 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 6 H 7.89 4.98 0.00 3.26 3.22 0.00 5.89 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 7 T 8.49 4.08 4.22 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 1.23 0.00 0.00 8 T 7.65 4.53 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 1.17 0.00 0.00 9 T 7.97 4.23 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 0.41 0.00 0.00 10 S 7.96 4.26 0.00 3.87 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 11 R 7.74 4.08 0.00 1.74 1.82 0.00 3.13 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 12 A 8.32 4.43 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 13 I 7.31 4.62 1.88 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 1.50 1.02 0.94 0.00 0.00 14 L 8.38 5.06 0.00 1.46 1.54 0.80 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 T 8.69 4.52 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 1.23 0.00 0.00 16 N 8.73 4.97 0.00 2.75 2.73 0.00 0.00 7.14 7.65 0.00 0.00 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 C 9.18 4.52 0.00 3.20 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 18 G 7.72 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 19 E 8.93 4.21 0.00 1.98 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 0.00 2.30 2.24 0.00 20 N 7.82 4.72 0.00 2.77 2.78 0.00 0.00 6.89 7.05 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 21 S 8.28 4.63 0.00 4.14 4.02 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 22 C 9.03 5.25 0.00 2.91 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 23 Y 8.60 5.47 0.00 3.11 3.22 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 24 R 9.23 4.95 0.00 1.99 1.81 0.00 3.17 0.00 0.00 3.22 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.50 0.00 25 K 9.41 5.33 0.00 1.86 1.96 0.00 1.37 0.00 0.00 1.63 0.00 0.00 3.09 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.74 1.45 7.81 26 S 8.88 5.03 0.00 3.86 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 27 R 8.51 3.93 0.00 1.66 1.80 0.00 3.17 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 1.46 0.00 28 R 8.75 3.85 0.00 1.69 1.64 0.00 3.28 0.00 0.00 3.15 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.47 0.00 29 H 7.60 4.91 0.00 3.09 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.44 0.00 2.03 1.97 0.00 3.70 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 31 P 0.00 4.32 0.00 2.16 2.06 0.00 3.76 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 1.98 0.00 32 K 8.57 4.48 0.00 1.72 1.76 0.00 1.76 0.00 0.00 2.36 0.00 0.00 3.23 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.33 7.81 33 M 7.42 4.26 0.00 2.07 2.18 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.52 0.00 34 V 8.30 4.21 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 0.80 0.00 0.00 0.82 0.00 0.00 35 L 9.02 4.65 0.00 1.55 1.73 1.05 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 36 G 7.49 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 0.00 0.00 0.00 0.00 37 R 8.08 4.69 0.00 1.64 1.77 0.00 3.40 0.00 0.00 3.29 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 38 G 6.24 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 39 C 8.75 5.05 0.00 3.03 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 40 G 9.84 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 0.00 0.00 0.00 41 C 8.09 4.95 0.00 2.95 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 42 P 0.00 4.43 0.00 2.00 1.76 0.00 3.37 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.95 0.00 43 P 0.00 4.29 0.00 2.18 2.07 0.00 3.68 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 44 G 8.33 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 45 D 8.39 4.50 0.00 2.91 2.76 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 46 D 8.86 4.27 0.00 2.89 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 Y 7.97 4.28 0.00 3.18 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 48 L 8.58 5.05 0.00 1.96 1.67 1.05 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 49 E 9.22 4.83 0.00 1.96 1.85 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 2.21 2.21 0.00 50 V 8.28 4.80 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 0.93 0.00 0.00 0.88 0.00 0.00 51 K 9.02 4.71 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.40 1.56 7.81 52 C 8.71 5.67 0.00 2.83 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 53 C 9.23 5.30 0.00 2.98 3.15 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.59 4.18 4.25 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 1.23 0.00 0.00 55 S 7.48 4.52 0.00 3.95 3.84 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 56 P 0.00 4.54 0.00 2.22 2.26 0.00 3.71 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 2.07 1.98 0.00 57 D 8.37 4.33 0.00 2.63 2.56 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.11 3.73 0.00 1.82 1.64 0.00 1.35 0.00 0.00 1.14 0.00 0.00 2.79 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.60 1.07 7.81 59 C 7.85 4.52 0.00 3.16 3.37 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 0.00 60 N 8.07 4.86 0.00 2.96 2.97 0.00 0.00 6.00 7.55 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 61 Y 7.92 4.10 0.00 3.10 2.95 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