NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 A 4.2333 8.2644 123.5815 50.5924 20.4515 177.4641 2 S 4.4259 7.3533 108.2873 55.8287 63.3721 169.2618 3 V 4.0022 7.9294 121.4641 61.3981 33.8052 172.7936 4 A 4.4531 8.8461 123.4243 53.3638 19.9228 174.8251 5 T 3.5475 8.1533 117.2362 62.6555 66.8644 172.5234 6 E 4.6294 8.0308 112.3704 54.6290 29.0613 176.3690 7 L 4.5433 7.5550 117.6790 53.7802 43.6804 176.6467 8 R 4.5648 8.1542 122.0809 53.9067 32.4157 176.1927 9 C 4.0591 8.6929 118.8867 56.8281 39.7374 174.3738 10 Q 3.7497 8.5863 126.4003 58.6455 29.1589 178.2141 11 C 5.0484 7.5626 113.2177 54.3944 40.2384 172.9904 12 L 3.8968 7.9336 123.2802 57.5758 42.2097 176.0427 13 Q 4.8707 7.5171 115.0520 54.7633 31.9062 173.9654 14 T 4.6883 7.9146 105.9977 61.3543 71.1479 172.5074 15 L 4.7813 8.3006 122.3322 52.5746 44.3465 177.5905 16 Q 3.8727 8.8121 123.4018 57.9793 29.1214 177.7547 17 G 3.8603 7.1929 102.4252 46.1869 0.0000 171.0624 18 I 4.0970 7.3180 111.4633 60.1382 39.1811 173.1959 19 H 4.1852 8.3768 121.0084 55.9201 30.0334 174.0090 20 P 4.5233 0.0000 0.0000 63.8757 31.6394 177.1005 21 K 4.2603 7.8632 117.9662 58.2792 32.7937 177.4247 22 N 4.5284 7.9106 114.8682 54.5834 38.8827 175.3601 23 I 4.5984 7.3945 118.4799 60.5327 38.7054 174.7859 24 Q 4.5180 8.8222 119.8018 56.9262 32.2754 174.4128 25 S 4.8129 8.0382 111.3221 56.5315 67.4161 173.5562 26 V 4.4534 8.1352 118.7976 61.5299 33.0488 172.9371 27 N 4.6121 8.9922 127.1116 52.3628 40.0335 173.9151 28 V 4.6372 8.3760 127.7773 61.1721 32.5879 174.4133 29 K 4.4540 8.7543 130.6781 54.7955 32.8959 176.2652 30 S 4.8079 8.6402 122.8064 57.4829 64.0226 171.9971 31 P 4.9228 0.0000 0.0000 62.1355 31.6827 176.3369 32 G 3.7666 7.9955 112.7581 44.8879 0.0000 172.5692 33 P 4.7134 0.0000 0.0000 63.2505 31.3972 176.6329 34 H 4.7447 7.8028 114.0320 56.4059 30.6151 173.1543 35 C 4.5746 7.3961 119.5043 54.9900 45.5735 173.3331 36 A 4.3085 8.6690 129.0979 52.5721 18.2589 176.1337 37 Q 4.6647 7.5876 115.8304 54.2297 31.1254 175.7900 38 T 4.0250 8.7369 120.6989 64.3916 69.9289 173.7324 39 E 4.4931 8.7446 121.7457 55.0909 33.3364 174.9861 40 V 4.5807 8.3596 124.9075 62.1608 33.7991 174.7045 41 I 5.2445 8.6010 124.9330 59.6673 42.1990 174.1300 42 A 5.5367 8.6008 125.8908 49.6310 22.3261 175.5030 43 T 4.6982 8.2346 119.6275 62.2999 69.3814 174.8370 44 L 5.0475 8.4425 127.3931 54.1315 43.1285 177.9724 45 K 4.3934 8.5706 116.7483 56.1595 32.5846 177.4076 46 N 4.8185 7.7632 117.3647 52.5365 37.4674 176.1115 47 G 3.8717 8.3242 104.5092 46.9150 0.0000 174.1315 48 R 4.6639 7.2596 118.5211 54.6235 32.7704 175.3130 49 K 5.2339 8.3419 117.9777 55.0991 36.6711 176.1760 50 A 4.5999 8.7314 123.6783 50.9957 22.8153 175.2059 51 C 4.9194 8.9631 120.4730 56.8524 41.8625 172.7873 52 L 5.3033 8.4278 121.3500 52.9391 45.6239 175.2771 53 N 4.8658 8.3824 119.2890 51.6691 39.8068 173.7464 54 P 4.5059 0.0000 0.0000 63.7961 31.7436 176.5969 55 A 4.3367 7.7676 121.4585 53.1437 19.5148 178.1033 56 S 4.6485 7.6393 111.5606 56.7801 66.0308 173.4642 57 P 4.2860 0.0000 0.0000 65.9890 31.3635 178.6890 58 I 3.7466 7.6675 119.1661 63.8709 37.1084 178.4701 59 V 3.5495 7.6493 118.6656 66.1106 31.6209 178.0160 60 K 3.9332 7.7295 117.9691 59.4969 31.8408 179.2283 61 K 4.1204 7.9031 117.9567 58.8632 32.1145 179.2789 62 I 3.7212 7.7692 120.4417 64.4670 36.9618 178.2738 63 I 3.7415 7.7081 120.2288 64.1158 36.9167 177.7703 64 E 3.9135 7.8871 119.3426 59.6268 29.6044 179.3028 65 K 4.0869 8.2079 118.4128 59.4237 32.2611 178.7715 66 M 3.9462 7.8288 118.3170 58.7365 32.0771 178.6539 67 L 3.9387 7.8772 118.7521 58.2980 41.6625 179.4327 68 N 4.3518 8.1060 115.2029 56.4370 38.9435 176.4380 69 S 4.2460 7.7767 115.4739 60.1905 64.0418 174.7671 70 D 4.8831 7.6207 121.2054 51.6834 38.1851 176.9184 71 K 4.2251 7.3636 122.1676 55.5144 32.4376 175.1636 72 S 3.7396 8.1637 120.9310 56.1100 63.0008 171.4205 73 N 3.9335 8.4435 118.0424 53.7630 36.3942 174.3961 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 A 8.26 4.23 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 2 S 7.35 4.43 0.00 3.85 3.73 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 3 V 7.93 4.00 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 0.76 0.00 0.00 0.92 0.00 0.00 4 A 8.85 4.45 1.22 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 0.00 0.00 5 T 8.15 3.55 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 6 E 8.03 4.63 0.00 2.06 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 2.23 2.26 0.00 7 L 7.56 4.54 0.00 1.53 1.50 0.79 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 8 R 8.15 4.56 0.00 1.79 1.84 0.00 3.25 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.63 0.00 9 C 8.69 4.06 0.00 2.98 3.30 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 10 Q 8.59 3.75 0.00 2.03 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 7.36 0.00 0.00 0.00 0.00 0.00 2.36 2.44 0.00 11 C 7.56 5.05 0.00 3.29 3.17 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.93 3.90 0.00 1.60 1.74 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 13 Q 7.52 4.87 0.00 2.02 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.50 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 14 T 7.91 4.69 4.30 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 1.24 0.00 0.00 15 L 8.30 4.78 0.00 1.70 1.57 0.94 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 16 Q 8.81 3.87 0.00 2.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.14 0.00 0.00 0.00 0.00 0.00 2.36 2.40 0.00 17 G 7.19 3.86 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 0.00 0.00 0.00 18 I 7.32 4.10 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.27 0.92 0.00 0.00 19 H 8.38 4.19 0.00 3.16 3.24 0.00 5.66 0.00 0.00 0.00 0.00 6.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.52 0.00 2.18 2.10 0.00 3.29 0.00 0.00 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.87 0.00 21 K 7.86 4.26 0.00 1.88 1.94 0.00 1.77 0.00 0.00 1.73 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.43 1.52 7.81 22 N 7.91 4.53 0.00 2.81 2.86 0.00 0.00 6.84 7.22 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 23 I 7.39 4.60 1.87 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 1.30 0.65 0.94 0.00 0.00 24 Q 8.82 4.52 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.68 0.00 0.00 0.00 0.00 0.00 2.26 2.43 0.00 25 S 8.04 4.81 0.00 3.88 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 26 V 8.14 4.45 2.08 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 0.74 0.00 0.00 0.93 0.00 0.00 27 N 8.99 4.61 0.00 2.83 2.69 0.00 0.00 6.51 7.00 0.00 0.00 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 V 8.38 4.64 2.08 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 0.78 0.00 0.00 0.93 0.00 0.00 29 K 8.75 4.45 0.00 1.91 1.70 0.00 1.72 0.00 0.00 1.79 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.45 1.43 7.81 30 S 8.64 4.81 0.00 3.91 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 31 P 0.00 4.92 0.00 2.03 2.02 0.00 3.37 0.00 0.00 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.79 0.00 32 G 8.00 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 0.00 0.00 0.00 33 P 0.00 4.71 0.00 2.23 2.18 0.00 3.89 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.99 0.00 34 H 7.80 4.74 0.00 3.34 3.39 0.00 5.53 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.40 4.57 0.00 2.87 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 36 A 8.67 4.31 1.26 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 0.00 0.00 0.00 37 Q 7.59 4.66 0.00 1.87 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.85 0.00 0.00 0.00 0.00 0.00 2.23 2.39 0.00 38 T 8.74 4.02 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 39 E 8.74 4.49 0.00 1.83 1.82 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 2.44 2.39 0.00 40 V 8.36 4.58 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 1.07 0.00 0.00 0.93 0.00 0.00 41 I 8.60 5.24 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.88 0.91 0.00 0.00 42 A 8.60 5.54 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.23 4.70 4.31 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 1.28 0.00 0.00 44 L 8.44 5.05 0.00 1.66 1.89 0.92 0.74 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 45 K 8.57 4.39 0.00 1.64 1.83 0.00 1.87 0.00 0.00 1.76 0.00 0.00 3.21 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.66 1.44 7.81 46 N 7.76 4.82 0.00 2.95 2.98 0.00 0.00 6.91 7.42 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 47 G 8.32 3.87 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 0.00 0.00 0.00 48 R 7.26 4.66 0.00 1.88 1.85 0.00 3.07 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 49 K 8.34 5.23 0.00 1.55 1.65 0.00 1.63 0.00 0.00 1.71 0.00 0.00 3.06 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.33 1.48 7.81 50 A 8.73 4.60 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 8.96 4.92 0.00 2.90 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 52 L 8.43 5.30 0.00 1.50 1.55 0.92 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 53 N 8.38 4.87 0.00 2.76 2.69 0.00 0.00 7.39 8.92 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 54 P 0.00 4.51 0.00 2.21 2.14 0.00 3.80 0.00 0.00 3.86 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 55 A 7.77 4.34 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.64 4.65 0.00 4.09 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 57 P 0.00 4.29 0.00 2.28 2.34 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 2.07 2.05 0.00 58 I 7.67 3.75 2.02 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.68 0.91 0.00 0.00 59 V 7.65 3.55 2.16 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 1.03 0.00 0.00 0.94 0.00 0.00 60 K 7.73 3.93 0.00 1.82 1.86 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.46 1.72 7.81 61 K 7.90 4.12 0.00 1.93 1.83 0.00 1.68 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.71 1.61 7.81 62 I 7.77 3.72 2.07 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 1.65 1.10 0.91 0.00 0.00 63 I 7.71 3.74 1.87 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 1.40 0.77 0.91 0.00 0.00 64 E 7.89 3.91 0.00 2.13 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 2.33 2.53 0.00 65 K 8.21 4.09 0.00 2.13 1.80 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.96 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.45 7.81 66 M 7.83 3.95 0.00 2.02 2.22 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.63 2.76 0.00 67 L 7.88 3.94 0.00 1.81 1.75 0.92 0.37 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 68 N 8.11 4.35 0.00 2.70 2.88 0.00 0.00 7.29 6.96 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 69 S 7.78 4.25 0.00 4.06 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 70 D 7.62 4.88 0.00 2.79 2.71 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 71 K 7.36 4.23 0.00 1.90 1.72 0.00 1.94 0.00 0.00 1.63 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.29 1.32 7.81 72 S 8.16 3.74 0.00 4.03 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 73 N 8.44 3.93 0.00 2.90 2.79 0.00 0.00 5.86 7.56 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