NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 24 C 4.5700 8.4393 120.6318 56.6691 44.2786 172.6317 25 T 4.2709 8.3305 118.0853 59.0161 70.0129 168.7456 26 V 3.8642 7.9506 126.5671 60.2807 33.7929 174.9539 27 P 4.4907 0.0000 0.0000 62.0602 32.1202 175.7271 28 I 3.9132 8.1367 120.7947 63.3528 37.3841 176.6134 29 G 4.0545 8.9887 113.1936 44.9654 0.0000 173.7269 30 W 4.0591 7.7409 129.3205 57.1566 31.1855 175.4893 31 S 4.2125 7.7990 119.3838 57.9130 61.5652 173.5564 32 E 4.5547 8.3783 127.4316 53.8319 31.2666 174.1901 33 P 4.0693 0.0000 0.0000 62.2588 31.6467 176.9550 34 V 3.6842 8.1045 121.8801 62.5754 31.9564 175.9398 35 K 3.8417 8.6075 127.4203 55.9655 32.5177 177.3007 36 G 3.9201 7.7875 112.0544 44.7212 0.0000 173.6978 37 L 4.0814 8.3049 121.1390 56.9292 42.0608 176.9040 38 C 4.5384 7.9883 112.0670 55.5567 42.1085 173.0257 39 K 4.4141 8.1570 117.4339 56.1072 32.3279 176.7531 40 A 3.9273 7.7026 119.6144 51.7074 19.3266 178.6051 41 R 4.4587 7.7628 119.6042 54.5043 29.4996 175.0823 42 F 4.7798 8.7902 121.8537 57.2187 41.1044 174.5541 43 T 5.0063 8.6246 118.1371 62.3182 69.7553 174.2745 44 R 4.8396 9.0888 125.4954 54.4457 34.7918 174.0260 45 Y 5.3025 9.0500 119.5285 56.6223 40.5656 174.4449 46 Y 5.0878 9.2208 121.7073 56.0700 41.8276 174.2169 47 C 4.8424 9.1880 123.7406 56.9918 42.7989 173.2689 48 M 4.7539 9.5212 128.1448 53.7243 33.1929 178.9420 49 G 3.8509 9.2589 117.6464 46.6451 0.0000 172.8335 50 N 4.6369 9.1839 122.3122 54.4783 40.0073 173.5499 51 C 5.0431 7.6218 110.5682 53.9221 45.6957 172.4857 52 C 5.3901 8.7230 117.5508 56.2436 42.4080 173.0177 53 K 4.9466 9.2801 124.3797 54.3641 35.3825 175.3027 54 V 4.2653 8.3088 125.4030 61.5917 32.7217 174.8418 55 Y 4.4164 9.0904 121.0641 56.0532 41.5129 174.2187 56 E 5.1509 10.2763 122.7336 54.1780 32.2292 176.4173 57 G 3.7743 8.1135 113.2384 46.1654 0.0000 171.0303 58 C 5.1311 7.6607 115.7364 55.1203 42.1460 171.7341 59 Y 5.0415 8.1169 118.4683 56.0631 40.4995 175.8863 60 T 4.3754 8.8289 113.4383 61.6030 70.7793 174.7621 61 G 3.8654 8.1367 111.0621 45.7558 0.0000 173.9941 62 G 2.9362 7.8654 108.1122 46.0017 0.0000 172.3065 63 Y 4.7120 8.2490 117.6063 56.0893 41.5910 176.6478 64 S 4.5417 8.8328 116.7406 59.9134 64.2354 174.8850 65 R 4.6499 7.8634 120.7536 54.0909 32.8391 175.9697 66 M 3.3724 7.9973 122.9308 58.6908 32.2450 178.7548 67 G 3.5239 7.7445 104.9931 47.5560 0.0000 175.4600 68 E 3.8008 7.8292 119.7927 59.0896 29.8005 179.2812 69 C 3.5866 7.6684 117.9234 59.4489 38.2554 175.5237 70 A 3.8364 8.1220 122.9601 54.9632 17.7556 179.2939 71 R 4.1152 7.6249 112.0770 57.7244 29.7100 177.4830 72 N 5.0203 7.6515 116.9634 51.8291 39.8931 173.2215 73 C 4.8635 7.5546 120.1083 53.9991 46.5523 172.1298 74 P 4.6940 0.0000 0.0000 63.1032 31.8287 176.0959 75 A 4.1858 8.2325 120.4892 52.8193 18.9308 176.2467 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 24 C 8.44 4.57 0.00 2.99 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 25 T 8.33 4.27 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 26 V 7.95 3.86 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 0.82 0.00 0.00 0.89 0.00 0.00 27 P 0.00 4.49 0.00 2.35 2.15 0.00 3.22 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 1.92 0.00 28 I 8.14 3.91 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.56 0.95 0.00 0.00 29 G 8.99 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 30 W 7.74 4.06 0.00 3.53 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 31 S 7.80 4.21 0.00 3.66 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.38 4.55 0.00 2.04 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 2.48 2.67 0.00 33 P 0.00 4.07 0.00 1.16 0.91 0.00 2.51 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.62 0.00 34 V 8.10 3.68 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 0.78 0.00 0.00 0.92 0.00 0.00 35 K 8.61 3.84 0.00 1.75 1.62 0.00 1.83 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.50 1.52 7.81 36 G 7.79 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 0.00 0.00 0.00 37 L 8.30 4.08 0.00 1.63 1.71 0.91 0.89 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 38 C 7.99 4.54 0.00 3.06 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 39 K 8.16 4.41 0.00 1.69 1.78 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.30 1.35 7.81 40 A 7.70 3.93 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.76 4.46 0.00 1.72 1.75 0.00 3.44 0.00 0.00 3.42 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 42 F 8.79 4.78 0.00 3.30 2.87 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 43 T 8.62 5.01 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 1.00 0.00 0.00 44 R 9.09 4.84 0.00 1.82 1.67 0.00 3.25 0.00 0.00 3.15 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 2.02 0.00 45 Y 9.05 5.30 0.00 2.93 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 46 Y 9.22 5.09 0.00 2.86 2.81 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 47 C 9.19 4.84 0.00 3.10 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 48 M 9.52 4.75 0.00 1.89 1.93 0.00 0.00 0.00 0.00 0.00 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 3.00 0.00 49 G 9.26 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 N 9.18 4.64 0.00 2.65 2.84 0.00 0.00 6.57 7.66 0.00 0.00 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 7.62 5.04 0.00 2.97 3.08 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 52 C 8.72 5.39 0.00 2.91 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 53 K 9.28 4.95 0.00 1.80 1.76 0.00 1.53 0.00 0.00 1.57 0.00 0.00 2.72 0.00 0.00 2.54 0.00 0.00 0.00 0.00 0.81 1.18 7.81 54 V 8.31 4.27 2.13 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 0.66 0.00 0.00 0.63 0.00 0.00 55 Y 9.09 4.42 0.00 2.52 1.81 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 56 E 10.28 5.15 0.00 1.87 1.91 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 2.20 2.25 0.00 57 G 8.11 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 58 C 7.66 5.13 0.00 3.03 2.87 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 59 Y 8.12 5.04 0.00 3.23 3.11 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 0.00 60 T 8.83 4.38 4.21 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 1.23 0.00 0.00 61 G 8.14 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 62 G 7.87 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 0.00 0.00 0.00 63 Y 8.25 4.71 0.00 2.95 2.82 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 0.00 0.00 0.00 64 S 8.83 4.54 0.00 4.05 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 65 R 7.86 4.65 0.00 1.91 1.80 0.00 3.23 0.00 0.00 3.33 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 66 M 8.00 3.37 0.00 1.64 0.79 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.42 0.00 67 G 7.74 3.52 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 68 E 7.83 3.80 0.00 2.01 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 69 C 7.67 3.59 0.00 3.07 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 70 A 8.12 3.84 1.24 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 0.00 0.00 0.00 71 R 7.62 4.12 0.00 1.95 1.98 0.00 2.97 0.00 0.00 3.14 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.56 0.00 72 N 7.65 5.02 0.00 2.63 2.86 0.00 0.00 6.62 7.20 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 73 C 7.55 4.86 0.00 2.97 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 74 P 0.00 4.69 0.00 2.27 2.24 0.00 3.84 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 75 A 8.23 4.19 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00