NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 V 4.0096 8.0544 120.4136 62.7524 32.5717 174.3607 7 D 4.6143 8.7709 126.9376 52.8644 41.4713 174.3522 8 C 4.8830 9.3201 125.1123 56.9077 41.6093 175.9378 9 S 4.0851 8.2840 118.9590 61.7315 62.3524 175.4369 10 E 4.2379 8.1968 116.5553 57.2017 29.8051 176.3209 11 Y 4.2535 7.7890 118.2210 56.2787 38.8871 173.0901 12 P 4.7810 0.0000 0.0000 62.8750 30.9070 176.8536 13 K 4.4013 8.6368 120.6372 53.5139 32.6719 175.0031 14 P 4.3936 0.0000 0.0000 64.4989 31.8629 177.2346 15 A 4.5042 7.2595 122.6498 51.1139 19.5237 175.8185 16 C 5.1775 8.4617 119.9401 54.6573 43.9573 174.2510 17 T 4.1988 8.4956 112.4063 62.3736 68.7029 173.6618 18 L 4.7972 8.0615 120.6324 54.3379 42.5090 176.7128 19 E 4.0346 8.2310 119.0628 56.2204 30.2921 175.2214 20 Y 4.8058 8.5343 126.9982 56.7967 38.9464 175.3285 21 R 4.5501 8.5161 127.7392 53.3542 31.2875 172.9213 22 P 4.7598 0.0000 0.0000 62.5967 33.2158 175.9291 23 L 4.8036 8.6538 120.6804 53.0349 45.7667 174.4321 24 C 5.2329 8.8435 122.8608 54.9974 40.0621 173.8388 25 G 4.5206 9.0942 114.1893 45.3580 0.0000 174.7383 26 S 4.3625 8.7678 114.9995 60.8074 63.1473 175.2214 27 D 4.5210 8.2271 117.9769 53.2160 39.0709 175.3701 28 N 4.2369 7.9935 116.1986 54.7579 38.1885 173.2144 29 K 4.6021 7.9709 114.4783 54.2734 34.8848 175.6378 30 T 4.7519 8.3313 121.3130 63.3281 69.3955 173.7168 31 Y 4.3185 9.2061 125.5898 56.5158 39.4318 177.3752 32 G 3.8327 9.0584 113.0695 48.5363 0.0000 172.5390 33 N 5.6931 7.9389 116.2757 50.7924 41.6482 175.1173 34 K 3.9079 8.7453 118.8941 59.9918 31.9443 179.9067 35 C 4.5172 8.2016 119.3307 59.2937 38.5667 175.1620 36 N 4.3576 8.6945 118.1415 56.2320 38.1424 177.1751 37 F 3.5599 8.3233 121.9332 61.4933 39.6407 176.6656 38 C 3.7804 8.0665 116.1510 59.7018 34.5534 175.8625 39 N 4.2800 7.9317 118.0324 56.2273 37.8846 177.3261 40 A 3.9524 7.4521 121.1169 54.6555 18.5452 179.6979 41 V 3.3012 6.9962 116.9980 66.2430 31.3047 178.8049 42 V 3.5686 7.4223 111.6613 64.2604 31.1609 178.0536 43 E 3.9098 7.8550 116.3890 58.2090 29.3526 178.4380 44 S 4.4994 7.2795 112.7215 58.8472 63.0897 172.8959 45 N 4.6764 8.0993 119.8658 52.7255 38.0306 174.2274 46 G 3.9634 8.9318 113.3562 45.2699 0.0000 172.9021 47 T 3.9335 7.6759 115.8036 66.1409 68.7448 174.9099 48 L 4.0993 7.4687 123.5883 54.8717 42.6361 175.5767 49 T 4.8354 8.4625 115.1843 59.6122 72.9352 172.1048 50 L 4.4090 8.4262 123.6650 54.5170 42.2069 176.0604 51 S 4.3520 8.8895 122.5693 60.5788 62.6771 173.4517 52 H 4.6030 7.5656 112.1629 54.7622 31.0195 173.0725 53 F 4.0766 8.8623 118.5273 58.6357 39.3238 175.9555 54 G 3.8959 8.6553 109.9543 44.3124 0.0000 173.3312 55 K 4.0099 8.1320 117.5584 56.5972 32.5518 178.1861 56 C 4.5801 8.5617 118.5307 57.4783 41.0263 173.7411 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 6 V 8.05 4.01 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 1.02 0.00 0.00 0.76 0.00 0.00 7 D 8.77 4.61 0.00 2.77 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 C 9.32 4.88 0.00 2.97 2.92 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 9 S 8.28 4.09 0.00 4.05 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 10 E 8.20 4.24 0.00 1.82 1.87 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 0.00 2.30 2.35 0.00 11 Y 7.79 4.25 0.00 3.18 2.89 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 0.00 0.00 0.00 0.00 12 P 0.00 4.78 0.00 2.20 2.09 0.00 3.72 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.00 0.00 13 K 8.64 4.40 0.00 1.14 1.51 0.00 1.28 0.00 0.00 0.98 0.00 0.00 2.76 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.11 1.08 7.81 14 P 0.00 4.39 0.00 2.20 2.21 0.00 3.73 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 1.99 1.97 0.00 15 A 7.26 4.50 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 16 C 8.46 5.18 0.00 3.00 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 17 T 8.50 4.20 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 1.25 0.00 0.00 18 L 8.06 4.80 0.00 1.67 1.73 0.95 0.95 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 19 E 8.23 4.03 0.00 1.97 1.90 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 2.35 2.34 0.00 20 Y 8.53 4.81 0.00 2.90 2.92 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 21 R 8.52 4.55 0.00 1.70 1.73 0.00 3.34 0.00 0.00 3.23 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.61 0.00 22 P 0.00 4.76 0.00 1.96 1.70 0.00 3.19 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.49 0.00 23 L 8.65 4.80 0.00 1.40 0.96 0.89 -0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 24 C 8.84 5.23 0.00 3.22 3.23 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 0.00 25 G 9.09 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.77 4.36 0.00 4.03 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 27 D 8.23 4.52 0.00 2.87 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 28 N 7.99 4.24 0.00 2.91 2.92 0.00 0.00 6.96 5.96 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 29 K 7.97 4.60 0.00 1.76 1.32 0.00 1.83 0.00 0.00 1.55 0.00 0.00 2.87 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.56 7.81 30 T 8.33 4.75 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 1.31 0.00 0.00 31 Y 9.21 4.32 0.00 3.04 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 32 G 9.06 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 0.00 0.00 0.00 33 N 7.94 5.69 0.00 3.07 3.10 0.00 0.00 6.60 6.86 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 34 K 8.75 3.91 0.00 1.89 1.97 0.00 1.76 0.00 0.00 1.85 0.00 0.00 3.22 0.00 0.00 3.32 0.00 0.00 0.00 0.00 1.61 1.62 7.81 35 C 8.20 4.52 0.00 3.17 3.40 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.69 4.36 0.00 3.16 3.08 0.00 0.00 6.70 7.73 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 37 F 8.32 3.56 0.00 2.96 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 38 C 8.07 3.78 0.00 1.48 1.87 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 0.00 0.00 0.00 0.00 39 N 7.93 4.28 0.00 2.86 2.90 0.00 0.00 6.86 8.25 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 40 A 7.45 3.95 1.09 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 0.00 0.00 41 V 7.00 3.30 1.79 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 0.94 0.00 0.00 -0.03 0.00 0.00 42 V 7.42 3.57 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 0.85 0.00 0.00 1.01 0.00 0.00 43 E 7.85 3.91 0.00 1.94 1.99 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 2.47 2.45 0.00 44 S 7.28 4.50 0.00 4.07 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 45 N 8.10 4.68 0.00 2.67 2.69 0.00 0.00 7.12 7.98 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 46 G 8.93 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 47 T 7.68 3.93 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 1.20 0.00 0.00 48 L 7.47 4.10 0.00 1.43 1.32 1.09 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 49 T 8.46 4.84 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 1.25 0.00 0.00 50 L 8.43 4.41 0.00 1.38 1.49 0.09 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.00 0.00 0.00 0.00 51 S 8.89 4.35 0.00 3.91 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 52 H 7.57 4.60 0.00 3.15 3.29 0.00 5.51 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 F 8.86 4.08 0.00 3.00 2.94 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 54 G 8.66 3.90 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 0.00 0.00 0.00 55 K 8.13 4.01 0.00 1.78 1.80 0.00 1.81 0.00 0.00 1.76 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.64 7.81 56 C 8.56 4.58 0.00 3.01 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