NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 R 4.1399 8.2549 117.2604 54.8140 30.8559 175.1208 2 P 3.9727 0.0000 0.0000 62.0620 31.9700 175.7365 3 D 4.2801 8.3318 120.1180 57.1679 42.0454 178.2045 4 F 4.3448 7.9182 114.6858 59.6826 37.5856 177.3618 5 C 4.7437 7.2644 115.8811 58.6132 39.9996 174.5075 6 L 4.3041 7.9103 119.7808 54.3402 42.3056 176.7684 7 E 4.1839 7.7607 119.2236 55.4786 30.0066 175.0354 8 P 4.5859 0.0000 0.0000 60.9849 32.6284 174.2204 9 P 3.6336 0.0000 0.0000 62.5970 31.4035 175.2416 10 Y 4.6339 7.8185 121.3363 56.0355 40.4694 175.3654 11 T 4.1805 8.2791 125.3274 64.7666 68.9011 176.2819 12 G 3.7389 6.6635 104.5869 44.1311 0.0000 171.5144 13 P 4.2692 0.0000 0.0000 65.0356 31.8423 177.7015 14 C 4.4728 7.8693 116.7842 56.8058 40.6475 173.8396 15 K 4.1121 8.1875 118.4844 56.9563 33.1796 176.4637 16 A 4.1587 7.7045 122.7029 52.0193 19.8316 177.0459 17 R 4.8401 8.0454 116.7345 54.3159 30.0691 174.4774 18 I 4.4242 8.4156 122.4836 59.5030 40.0223 175.2877 19 I 4.4059 8.1368 126.6551 61.0833 38.1671 175.2918 20 R 4.6207 8.2657 123.9149 54.9520 35.2012 173.3912 21 Y 5.6207 9.2406 117.9903 56.7446 41.0940 175.1764 22 F 5.7373 9.1677 115.7277 55.7507 42.2486 172.6206 23 Y 4.4397 9.8330 122.9918 57.0388 40.1591 174.1011 24 N 4.5414 8.3291 126.6824 51.5398 38.2468 174.7570 25 A 3.8823 8.4646 128.6570 55.0291 18.7156 178.9902 26 K 4.0054 8.1883 113.3578 59.1892 32.2091 177.9471 27 A 4.1737 7.9934 119.8492 51.7378 19.5059 176.9068 28 G 4.2579 8.2444 103.9289 45.4582 0.0000 173.1049 29 L 4.5755 6.6035 117.9899 53.7792 45.9666 174.8968 30 C 5.0119 8.6638 121.0813 56.5206 42.9691 172.6736 31 Q 4.7578 8.5149 120.7878 54.6279 33.4112 174.0442 32 T 5.1060 8.4251 110.2708 61.1376 71.0668 173.7627 33 F 4.9514 8.5628 115.7713 56.0633 41.7496 172.9680 34 V 4.3624 8.4526 120.3652 62.1302 32.3617 174.2646 35 Y 4.7879 9.1561 130.9818 56.2132 40.3138 176.4250 36 G 3.8550 8.2379 113.3485 46.2445 0.0000 175.0683 37 G 3.8671 6.6274 107.0747 45.2806 0.0000 172.1641 38 C 4.8262 7.2159 111.8053 55.1191 44.3895 173.0917 39 R 3.7954 8.7014 116.0517 57.3565 26.9388 176.8821 40 A 4.4057 8.1835 118.8468 52.2617 19.3097 177.6415 41 K 4.4871 8.1418 119.4782 54.2949 34.6875 177.1000 42 R 3.4870 8.1747 118.4558 59.2795 30.2975 177.8952 43 N 4.7409 7.6524 117.4930 51.5549 37.1985 174.2776 44 N 5.0454 6.8564 116.5512 52.7992 41.2499 173.0311 45 F 4.9335 9.4417 125.7739 55.3726 41.5143 177.0252 46 K 4.0766 8.9909 126.4421 58.2401 32.7973 177.1567 47 S 4.7332 8.0247 112.8474 55.9356 65.1389 174.2768 48 A 3.2819 7.9015 130.5630 54.7623 18.1793 179.1034 49 E 3.7221 7.8782 117.3622 59.6902 29.6559 178.7193 50 D 4.2937 7.7551 118.8059 57.2761 40.7252 177.8014 51 C 2.4500 7.5444 118.9125 59.4308 44.2240 175.7219 52 M 3.7056 7.7973 118.2898 57.8979 30.4995 178.4566 53 R 3.8260 7.3825 119.0456 59.4957 30.3947 178.2125 54 T 4.0184 7.8093 114.6704 66.2486 68.6372 175.4202 55 C 4.4409 7.9195 115.9494 56.9386 41.5421 174.2027 56 G 3.5594 7.5236 113.8401 45.5940 0.0000 173.3261 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 8.25 4.14 0.00 1.65 1.81 0.00 2.99 0.00 0.00 3.02 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.46 0.00 2 P 0.00 3.97 0.00 1.06 1.62 0.00 3.35 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.99 0.00 3 D 8.33 4.28 0.00 2.76 2.67 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 4 F 7.92 4.34 0.00 3.43 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 7.26 4.74 0.00 2.90 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 6 L 7.91 4.30 0.00 1.82 1.76 1.02 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 7 E 7.76 4.18 0.00 2.07 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 2.39 2.48 0.00 8 P 0.00 4.59 0.00 2.07 2.01 0.00 3.77 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 1.95 1.93 0.00 9 P 0.00 3.63 0.00 0.70 0.49 0.00 3.28 0.00 0.00 2.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.44 0.00 10 Y 7.82 4.63 0.00 2.76 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 11 T 8.28 4.18 4.11 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 1.21 0.00 0.00 12 G 6.66 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 4.27 0.00 2.17 2.20 0.00 3.79 0.00 0.00 3.70 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 7.87 4.47 0.00 2.86 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 15 K 8.19 4.11 0.00 1.78 1.86 0.00 1.40 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.29 1.42 7.81 16 A 7.70 4.16 1.19 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 0.00 0.00 17 R 8.05 4.84 0.00 1.60 1.78 0.00 3.16 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 1.45 1.58 0.00 18 I 8.42 4.42 1.87 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 1.22 0.85 0.93 0.00 0.00 19 I 8.14 4.41 1.77 0.00 0.00 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 1.24 0.41 0.60 0.00 0.00 20 R 8.27 4.62 0.00 0.67 1.70 0.00 3.38 0.00 0.00 3.16 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.42 0.00 21 Y 9.24 5.62 0.00 3.23 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 22 F 9.17 5.74 0.00 3.15 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 23 Y 9.83 4.44 0.00 3.19 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 24 N 8.33 4.54 0.00 2.23 2.47 0.00 0.00 6.63 7.36 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 25 A 8.46 3.88 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.01 0.00 1.86 1.87 0.00 1.63 0.00 0.00 1.72 0.00 0.00 3.11 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.50 7.81 27 A 7.99 4.17 1.19 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 0.00 0.00 28 G 8.24 4.26 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 0.00 29 L 6.60 4.58 0.00 1.53 1.31 0.89 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 30 C 8.66 5.01 0.00 2.91 3.09 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 31 Q 8.51 4.76 0.00 1.46 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.01 0.00 32 T 8.43 5.11 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 0.91 0.00 0.00 33 F 8.56 4.95 0.00 2.98 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 34 V 8.45 4.36 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 0.72 0.00 0.00 0.91 0.00 0.00 35 Y 9.16 4.79 0.00 2.48 2.70 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 36 G 8.24 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 37 G 6.63 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 38 C 7.22 4.83 0.00 3.06 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 8.70 3.80 0.00 2.14 2.36 0.00 3.32 0.00 0.00 3.28 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.75 0.00 40 A 8.18 4.41 1.12 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 0.00 0.00 41 K 8.14 4.49 0.00 1.71 1.80 0.00 1.52 0.00 0.00 1.48 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 1.10 1.07 7.81 42 R 8.17 3.49 0.00 1.32 0.66 0.00 2.82 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.33 0.00 43 N 7.65 4.74 0.00 3.09 2.86 0.00 0.00 6.95 7.63 0.00 0.00 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 6.86 5.05 0.00 2.71 2.63 0.00 0.00 7.11 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 9.44 4.93 0.00 3.36 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 46 K 8.99 4.08 0.00 1.78 1.93 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.51 1.50 7.81 47 S 8.02 4.73 0.00 3.91 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 7.90 3.28 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.88 3.72 0.00 1.96 1.88 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 2.32 2.34 0.00 50 D 7.76 4.29 0.00 2.89 2.80 0.00 0.00 0.00 0.00 0.00 0.00 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 7.54 2.45 0.00 2.79 3.03 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 0.00 0.00 0.00 0.00 52 M 7.80 3.71 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.71 0.00 53 R 7.38 3.83 0.00 1.85 1.89 0.00 3.23 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.61 0.00 54 T 7.81 4.02 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 1.52 0.00 0.00 55 C 7.92 4.44 0.00 2.63 2.14 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 56 G 7.52 3.56 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 0.00 0.00 0.00