NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.2593 8.1548 116.6561 54.8384 31.1152 175.0753 2 P 3.9803 0.0000 0.0000 62.2643 31.9371 176.2815 3 D 4.3694 8.4115 121.8754 57.2157 41.6076 178.6946 4 F 4.4040 7.8240 114.4937 59.6387 37.6785 177.7865 5 C 4.6761 7.4561 116.0161 58.9864 40.0189 174.6257 6 L 4.4034 7.6460 118.8604 53.8468 41.9605 176.1772 7 E 4.3563 7.3824 120.1306 54.5423 30.5291 174.4200 8 P 4.4652 0.0000 0.0000 61.3753 32.1305 174.6809 9 P 3.6209 0.0000 0.0000 62.5488 31.5184 175.5216 10 Y 4.6555 7.6360 120.9863 56.0710 40.0978 175.3747 11 T 4.1829 8.3217 125.5428 65.1066 68.8414 176.1722 12 G 3.6409 6.9495 104.8273 44.1202 0.0000 171.1012 13 P 4.3639 0.0000 0.0000 63.5083 31.9372 176.9584 14 C 4.6102 7.6642 117.7147 56.0994 41.7227 173.6728 15 K 4.3293 8.1263 116.8984 56.5221 32.5476 176.0493 16 A 4.0932 7.8447 122.3770 52.5516 19.7525 177.3767 17 R 4.6725 8.2656 117.6906 53.8795 30.5532 173.4335 18 I 4.4343 8.3395 122.2071 59.1216 40.1169 174.6214 19 I 4.2781 8.3054 128.3267 61.0118 37.9509 175.3935 20 R 4.7482 8.3224 124.7834 54.6229 34.8540 173.6009 21 Y 5.5352 9.4314 117.9061 56.6680 40.6655 175.3413 22 F 5.7742 9.4975 116.8805 55.4883 42.1741 172.7601 23 Y 4.4015 9.9977 122.6630 57.0013 40.1745 173.7104 24 N 4.8000 7.9501 126.2720 51.8132 39.1654 175.3257 25 A 3.9887 8.5774 130.4734 54.9254 18.9140 178.7703 26 K 4.0666 8.1557 114.4087 59.0700 32.3674 177.9784 27 A 4.1127 7.9856 120.5834 52.3667 19.2189 178.3307 28 G 3.9956 9.6191 103.4248 44.6151 0.0000 172.2206 29 L 4.6692 6.7614 118.6466 54.5254 44.3435 174.8086 30 C 4.9815 8.5941 116.4870 56.3659 41.3210 173.3210 31 Q 4.8623 8.5295 121.5094 54.2726 32.8302 174.3470 32 T 5.1304 8.4210 110.2270 61.0288 71.0521 173.6884 33 F 5.1216 8.7691 116.7724 55.8624 41.9868 173.0373 34 V 4.4252 8.3665 119.4440 60.6347 32.7670 174.4637 35 Y 4.7877 8.9057 127.2158 55.7605 40.5886 176.3844 36 G 3.7166 8.2592 113.4148 46.3378 0.0000 175.1254 37 G 3.8394 6.6224 107.8217 45.1510 0.0000 172.3004 38 C 4.9077 6.9562 111.8854 54.8434 44.6762 173.1811 39 R 3.8034 8.7880 116.2852 57.2333 27.0262 176.9098 40 A 4.2441 8.2139 118.9425 52.3913 19.1806 178.0956 41 K 4.3945 8.1940 120.3722 54.7325 34.1399 177.2156 42 R 3.5960 8.0489 117.9802 58.9877 30.1503 177.4552 43 N 4.9180 7.7684 117.8808 51.3936 36.9394 173.0695 44 N 5.0356 6.7476 116.4758 52.7578 41.8289 173.2951 45 F 5.0942 9.7287 125.5552 55.7483 42.7280 176.6596 46 K 4.5930 9.1209 120.2051 58.0153 32.8892 177.8855 47 S 4.6180 7.8277 112.9596 55.4610 67.2842 174.6291 48 A 3.3651 7.5618 125.0764 55.0178 18.1086 180.0480 49 E 3.7670 7.8164 116.6895 59.6230 29.6223 178.9377 50 D 4.2632 7.6577 116.9317 57.2700 41.2152 177.4237 51 C 2.4500 7.7374 118.8538 59.4031 41.1778 175.5752 52 M 3.8177 8.0211 120.4788 58.0758 31.2404 178.7562 53 R 3.8099 7.6869 118.2663 59.6739 30.3361 178.5102 54 T 4.0740 7.5797 114.3358 66.1213 68.6995 175.4104 55 C 4.5792 7.7805 114.9092 56.2940 41.7519 175.4561 56 G 3.6973 7.8567 110.4174 48.3997 0.0000 175.9890 57 G 3.9612 7.5124 103.7942 45.8094 0.0000 172.6163 58 A 4.0717 7.9324 129.0664 52.1648 18.3816 178.2430 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 R 8.15 4.26 0.00 1.65 1.80 0.00 2.54 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.43 0.00 2 P 0.00 3.98 0.00 0.91 1.49 0.00 3.26 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.00 0.00 3 D 8.41 4.37 0.00 2.70 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 4 F 7.82 4.40 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 5 C 7.46 4.68 0.00 2.93 3.12 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 0.00 0.00 0.00 0.00 6 L 7.65 4.40 0.00 1.66 1.75 0.93 0.85 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 7 E 7.38 4.36 0.00 2.04 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 2.29 2.31 0.00 8 P 0.00 4.47 0.00 2.03 1.91 0.00 3.72 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.08 0.00 9 P 0.00 3.62 0.00 0.70 0.49 0.00 3.34 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.44 0.00 10 Y 7.64 4.66 0.00 2.75 2.91 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.32 4.18 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 1.17 0.00 0.00 12 G 6.95 3.64 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 0.00 0.00 0.00 13 P 0.00 4.36 0.00 2.18 2.18 0.00 3.75 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 1.98 2.03 0.00 14 C 7.66 4.61 0.00 2.87 2.96 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 15 K 8.13 4.33 0.00 1.77 1.81 0.00 1.54 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.25 1.34 7.81 16 A 7.84 4.09 1.14 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 0.00 0.00 17 R 8.27 4.67 0.00 1.61 1.79 0.00 3.13 0.00 0.00 3.19 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.55 0.00 18 I 8.34 4.43 2.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.88 0.95 0.00 0.00 19 I 8.31 4.28 1.79 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.68 0.69 0.00 0.00 20 R 8.32 4.75 0.00 0.97 1.88 0.00 3.45 0.00 0.00 3.21 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 21 Y 9.43 5.54 0.00 3.31 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 22 F 9.50 5.77 0.00 3.24 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 23 Y 10.00 4.40 0.00 3.00 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 24 N 7.95 4.80 0.00 2.26 2.41 0.00 0.00 6.66 8.09 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 25 A 8.58 3.99 1.42 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 0.00 0.00 0.00 0.00 0.00 0.00 26 K 8.16 4.07 0.00 1.76 1.87 0.00 1.77 0.00 0.00 1.72 0.00 0.00 3.02 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.63 1.39 7.81 27 A 7.99 4.11 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 28 G 9.62 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 29 L 6.76 4.67 0.00 1.68 1.72 0.81 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.59 4.98 0.00 2.89 3.19 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 0.00 31 Q 8.53 4.86 0.00 1.49 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.74 0.00 0.00 0.00 0.00 0.00 2.18 2.02 0.00 32 T 8.42 5.13 4.09 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 0.76 0.00 0.00 33 F 8.77 5.12 0.00 3.04 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 34 V 8.37 4.43 2.03 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 0.71 0.00 0.00 0.85 0.00 0.00 35 Y 8.91 4.79 0.00 2.50 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 36 G 8.26 3.72 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 G 6.62 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 0.00 0.00 0.00 38 C 6.96 4.91 0.00 3.05 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 39 R 8.79 3.80 0.00 2.19 2.27 0.00 3.45 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.64 0.00 40 A 8.21 4.24 0.96 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 41 K 8.19 4.39 0.00 1.72 1.67 0.00 1.46 0.00 0.00 1.49 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.13 1.16 7.81 42 R 8.05 3.60 0.00 0.99 0.66 0.00 2.25 0.00 0.00 2.82 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.25 0.00 43 N 7.77 4.92 0.00 3.19 2.87 0.00 0.00 6.71 7.79 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 44 N 6.75 5.04 0.00 2.74 2.58 0.00 0.00 7.08 7.02 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 45 F 9.73 5.09 0.00 3.22 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 46 K 9.12 4.59 0.00 1.84 1.96 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.50 1.48 7.81 47 S 7.83 4.62 0.00 4.06 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 48 A 7.56 3.37 0.81 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 0.00 0.00 49 E 7.82 3.77 0.00 1.99 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 2.34 2.34 0.00 50 D 7.66 4.26 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 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 7.74 2.45 0.00 2.74 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 52 M 8.02 3.82 0.00 1.98 1.99 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.73 0.00 53 R 7.69 3.81 0.00 1.84 2.05 0.00 3.40 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.79 0.00 54 T 7.58 4.07 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 1.57 0.00 0.00 55 C 7.78 4.58 0.00 2.59 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 0.00 0.00 0.00 0.00 56 G 7.86 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.51 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 58 A 7.93 4.07 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