NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4576 8.1633 120.6100 55.5725 34.3135 173.3814 2 Q 5.0096 8.2306 118.4813 53.7484 32.1981 173.6425 3 Y 5.2204 9.4119 120.1135 56.1919 42.4260 174.1187 4 K 5.0629 9.4882 123.2264 54.6478 35.2059 174.3037 5 L 5.0651 9.2410 130.5505 53.4221 44.2565 174.7917 6 I 4.5284 8.5868 127.4078 59.9207 39.5961 174.7535 7 L 4.4176 8.5781 127.5940 53.8166 43.0905 175.4850 8 N 4.8414 8.6239 122.1497 50.7457 38.1066 173.8492 9 G 4.4983 8.2231 118.8952 45.0476 0.0000 170.5514 10 K 4.1323 8.9976 119.4561 59.3650 32.1122 178.2259 11 T 4.4548 7.5911 103.4430 60.4881 70.1977 173.2266 12 L 4.3520 7.7842 125.2157 53.9576 41.9997 175.1972 13 K 5.3113 7.9798 124.4030 53.0803 36.6252 177.2829 14 G 4.0527 7.4713 108.6153 46.2819 0.0000 170.9503 15 E 5.3295 8.6083 119.9658 54.9966 33.5139 175.4884 16 T 4.8375 8.7888 110.4353 61.0616 72.4852 172.8042 17 T 5.2724 8.4625 118.2621 63.1556 73.1855 172.7410 18 T 4.6547 9.1092 116.3648 61.0553 71.5020 171.9093 19 E 5.2024 8.7620 127.4760 54.8075 30.6951 174.6281 20 A 4.8437 8.9959 127.9674 50.8297 22.3627 176.4194 21 V 3.8179 8.6358 118.8735 63.7687 31.8582 176.7287 22 D 5.1174 7.7982 117.8276 51.7947 45.0586 176.5972 23 A 3.2407 8.4237 125.3936 55.0451 18.4124 179.9795 24 A 4.0635 7.4495 117.9234 55.0274 18.4238 179.5207 25 T 3.7858 7.8402 110.7540 64.9213 67.3160 176.2740 26 A 3.7066 7.1559 122.5340 54.6466 17.7257 179.4022 27 E 3.5609 7.5681 115.9077 59.0779 29.6777 179.3410 28 K 3.7114 7.2014 118.2680 59.3175 32.0813 179.3458 29 V 3.3782 7.1731 117.5817 65.9912 31.5490 177.9606 30 F 4.4885 7.0789 117.3558 60.7091 38.5309 177.9524 31 K 3.5684 8.7240 117.8431 59.1854 31.8758 178.9952 32 Q 4.0643 7.9631 119.7152 59.0892 28.9565 177.4726 33 Y 4.4191 8.8618 122.3013 59.9363 38.8495 177.5202 34 A 4.0511 8.5530 122.0616 55.0955 18.2528 179.0777 35 N 4.2307 7.6052 113.3163 57.0914 38.8882 176.2039 36 D 4.4000 7.9453 119.2269 56.6431 41.2458 177.7481 37 N 4.2723 7.3981 115.6549 53.4524 39.2314 174.9340 38 G 4.0552 8.5685 106.3352 45.6363 0.0000 174.0924 39 V 4.0582 7.4294 119.1193 60.8319 31.1079 175.1369 40 D 4.9705 8.8083 124.7967 52.3653 43.3272 174.1689 41 G 3.8722 8.0540 119.3116 44.6433 0.0000 170.5061 42 E 4.3272 9.3152 121.7606 56.2826 30.5992 176.6884 43 W 5.1792 8.7937 122.9759 55.8672 31.6531 174.7670 44 T 4.7898 8.5052 114.3618 61.8391 71.1252 171.8817 45 Y 4.8137 8.3006 125.8410 56.4028 42.4488 172.7070 46 D 4.4068 8.3764 127.8522 52.7518 42.0128 176.3160 47 D 4.2423 8.3214 124.5404 54.4762 41.7690 176.8560 48 A 4.1559 7.7399 120.8383 54.7724 18.7424 178.0042 49 T 4.4553 8.9562 104.1412 60.1239 70.1706 174.2099 50 K 4.1622 7.7540 120.1610 58.5646 29.7914 174.4865 51 T 5.2779 7.9526 114.1253 61.9897 72.3365 175.2145 52 F 5.5398 9.9669 125.9384 56.4189 42.2464 175.0040 53 T 5.0184 8.5569 109.8611 60.5564 72.2633 172.7038 54 V 3.9296 7.8877 124.3780 59.6272 33.7580 174.3721 55 T 5.3267 8.9589 120.3062 58.9222 70.0932 173.3945 56 E 4.3288 8.6964 125.8708 56.3981 29.5317 175.8391 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 M 8.16 4.46 0.00 2.05 1.92 0.00 0.00 0.00 0.00 0.00 -0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 1.85 0.00 2 Q 8.23 5.01 0.00 1.97 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.65 0.00 0.00 0.00 0.00 0.00 2.30 2.61 0.00 3 Y 9.41 5.22 0.00 3.40 3.59 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.49 5.06 0.00 1.83 1.70 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.81 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.46 7.81 5 L 9.24 5.07 0.00 0.27 0.64 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 6 I 8.59 4.53 1.84 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 1.39 1.30 0.97 0.00 0.00 7 L 8.58 4.42 0.00 1.93 1.81 0.99 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 8 N 8.62 4.84 0.00 2.73 2.85 0.00 0.00 6.12 6.72 0.00 0.00 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 G 8.22 4.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 9.00 4.13 0.00 1.75 1.87 0.00 1.64 0.00 0.00 1.75 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 1.53 7.81 11 T 7.59 4.45 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 12 L 7.78 4.35 0.00 1.70 1.61 0.95 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 13 K 7.98 5.31 0.00 1.70 1.63 0.00 1.93 0.00 0.00 2.36 0.00 0.00 3.17 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.32 1.53 7.81 14 G 7.47 4.05 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 0.00 0.00 0.00 15 E 8.61 5.33 0.00 1.82 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 2.20 2.22 0.00 16 T 8.79 4.84 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 1.12 0.00 0.00 17 T 8.46 5.27 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 18 T 9.11 4.65 3.81 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 1.20 0.00 0.00 19 E 8.76 5.20 0.00 2.02 1.86 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 2.22 2.39 0.00 20 A 9.00 4.84 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 21 V 8.64 3.82 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.98 0.00 0.00 22 D 7.80 5.12 0.00 2.81 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.42 3.24 1.17 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 0.00 0.00 24 A 7.45 4.06 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 25 T 7.84 3.79 4.16 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 0.00 0.00 0.00 1.19 0.00 0.00 26 A 7.16 3.71 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 E 7.57 3.56 0.00 1.85 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 2.24 2.04 0.00 28 K 7.20 3.71 0.00 1.87 1.77 0.00 1.55 0.00 0.00 1.48 0.00 0.00 2.80 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.32 1.52 7.81 29 V 7.17 3.38 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.00 0.00 0.70 0.00 0.00 30 F 7.08 4.49 0.00 2.87 3.10 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 31 K 8.72 3.57 0.00 1.30 1.42 0.00 1.15 0.00 0.00 1.09 0.00 0.00 2.13 0.00 0.00 2.67 0.00 0.00 0.00 0.00 0.30 0.21 7.81 32 Q 7.96 4.06 0.00 2.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.78 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00 33 Y 8.86 4.42 0.00 3.15 3.21 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 34 A 8.55 4.05 1.83 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 35 N 7.61 4.23 0.00 2.76 2.89 0.00 0.00 7.26 8.34 0.00 0.00 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 D 7.95 4.40 0.00 2.56 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 N 7.40 4.27 0.00 2.29 2.71 0.00 0.00 7.44 7.82 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 38 G 8.57 4.06 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 0.00 0.00 0.00 39 V 7.43 4.06 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 0.83 0.00 0.00 0.92 0.00 0.00 40 D 8.81 4.97 0.00 2.67 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 41 G 8.05 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 42 E 9.32 4.33 0.00 1.83 1.92 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 2.52 2.44 0.00 43 W 8.79 5.18 0.00 3.23 3.33 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 0.00 0.00 0.00 0.00 44 T 8.51 4.79 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 1.32 0.00 0.00 45 Y 8.30 4.81 0.00 2.72 2.69 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 0.00 0.00 0.00 0.00 46 D 8.38 4.41 0.00 2.53 2.27 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 47 D 8.32 4.24 0.00 2.58 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.74 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 49 T 8.96 4.46 4.20 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 1.17 0.00 0.00 50 K 7.75 4.16 0.00 1.96 1.87 0.00 1.73 0.00 0.00 2.14 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.43 1.26 7.81 51 T 7.95 5.28 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 1.29 0.00 0.00 52 F 9.97 5.54 0.00 2.88 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 53 T 8.56 5.02 4.18 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 1.21 0.00 0.00 54 V 7.89 3.93 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 0.00 0.00 0.31 0.00 0.00 0.02 0.00 0.00 55 T 8.96 5.33 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 56 E 8.70 4.33 0.00 1.97 1.97 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 2.10 2.24 0.00