NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 T 4.3609 8.1744 110.9439 61.2110 70.6043 173.5132 6 N 4.8023 7.8673 120.5185 53.0763 39.3941 173.1146 7 S 4.5017 8.8238 113.2400 57.5559 64.9738 173.2903 8 D 4.8180 8.5432 121.5266 54.8265 41.8597 175.3595 9 F 5.2804 7.8078 114.0327 55.5380 41.5524 173.9062 10 V 4.5734 8.8320 112.5130 59.5791 35.0026 174.8758 11 V 4.7832 8.6247 123.7850 61.3604 33.8878 174.5274 12 I 4.9360 8.8815 128.1225 59.4320 40.8677 173.9861 13 K 5.0395 9.1119 128.8911 54.3106 34.5637 174.9807 14 A 4.4089 8.8675 130.1225 52.0626 19.2653 177.4352 15 L 4.6864 8.9125 122.1383 54.4375 42.5874 175.8478 16 E 4.6566 7.6822 115.7424 54.9721 32.2985 174.3512 17 D 4.4398 8.3215 119.2275 55.4176 41.3529 177.3319 18 G 3.9084 8.7461 108.9358 45.1355 0.0000 173.9863 19 V 3.8296 7.3311 120.5633 63.5220 32.7706 174.3763 20 N 5.3382 9.1745 124.8384 51.4694 41.4155 173.6104 21 V 4.4983 8.8477 124.7593 61.3923 33.5570 174.1620 22 I 4.5805 8.7419 130.1096 59.3543 39.6826 175.0511 23 G 4.0903 8.7259 115.0773 45.0185 0.0000 172.5427 24 L 5.3905 8.7724 126.7097 53.3651 43.7684 176.4956 25 T 4.4699 8.8127 114.6346 61.8574 69.2251 174.1757 26 R 4.4579 7.8973 126.4332 56.8335 29.6300 174.8171 27 G 3.7275 8.8621 109.6502 44.0456 0.0000 173.9177 28 A 4.2037 8.6320 121.1856 54.1755 18.6310 177.4665 29 D 4.9066 7.2624 112.8718 53.0516 42.8462 176.2816 30 T 4.6840 8.2528 121.9497 61.4286 69.3376 172.7168 31 R 4.6966 9.1852 123.4700 53.9894 33.7332 174.0354 32 F 5.5459 8.6395 117.6488 57.1006 39.3859 175.9374 33 H 4.9313 8.9647 119.0102 56.5035 30.0677 174.2151 34 H 4.7184 7.5259 116.9423 55.2629 33.2992 172.3794 35 S 4.6378 7.9206 117.3878 56.4591 64.9451 172.5666 36 E 4.3410 9.2610 130.1198 55.1946 30.7587 175.0087 37 K 4.8480 8.6017 126.9202 55.4907 33.3730 176.0043 38 L 4.9330 9.0134 125.3938 53.0660 44.7115 176.3125 39 D 4.7991 9.3561 123.6945 52.6741 43.1081 175.8714 40 K 4.0562 9.2356 122.0831 58.2749 32.3159 176.9866 41 G 4.0284 9.0730 115.8120 45.2123 0.0000 173.5552 42 E 4.2848 7.9778 119.3750 56.2739 30.7973 176.0708 43 V 4.9555 8.2596 121.3266 61.0458 34.6801 174.3617 44 L 4.7434 9.0976 128.7904 53.2864 45.1831 174.8906 45 I 4.9263 8.5480 126.5297 59.6261 39.2010 174.6808 46 A 4.7223 8.8806 129.2386 50.0333 21.8797 175.5318 47 Q 4.7711 8.6195 120.8167 55.1937 30.2477 175.8099 48 F 4.7300 8.4250 120.1116 58.1075 38.7190 175.5648 49 T 4.6330 8.8373 110.5519 60.6592 71.5422 173.6685 50 E 4.1704 8.9767 120.9368 59.5275 29.7578 177.7010 51 H 4.5947 7.8415 114.1802 56.0886 29.8863 174.1835 52 T 5.1278 8.1431 116.9003 61.9865 71.1842 174.4176 53 S 4.9540 9.0011 120.2709 58.1369 64.9259 173.5226 54 A 5.2058 7.9314 121.5487 50.9829 22.7348 175.0454 55 I 4.9233 8.5304 120.3828 59.4211 40.5540 174.6971 56 K 4.5745 8.9564 128.7236 54.5475 34.5550 174.8064 57 V 4.8216 8.3763 126.4767 61.1849 33.6843 174.5197 58 R 4.5576 9.1325 127.1799 55.5294 32.9283 176.2128 59 G 4.0879 9.0247 108.9486 44.2084 0.0000 172.5484 60 K 4.7382 9.5568 120.6344 55.3813 33.0163 175.5737 61 A 5.0939 8.6744 128.3591 50.9195 23.4164 173.7102 62 Y 4.9746 9.0007 121.6708 56.1204 40.9404 174.5260 63 I 4.8654 8.5577 127.3779 59.4660 40.7251 174.3566 64 Q 4.9921 8.8225 125.7687 54.3199 31.7894 174.9362 65 T 4.8197 8.6745 113.2713 59.6125 72.4170 174.6028 66 R 3.7591 8.5282 120.4341 59.4413 29.9480 176.5937 67 H 4.7016 8.4638 112.7447 55.2247 29.3693 174.4352 68 G 3.7504 6.7880 106.6457 44.0767 0.0000 173.1180 69 V 4.8046 7.8010 112.4197 59.9721 34.7796 175.1254 70 I 4.4488 8.1032 121.0201 60.2212 41.9312 172.7681 71 E 5.2824 8.6658 126.1620 54.5138 32.0411 176.1587 72 S 4.7034 8.8819 119.4147 57.8666 65.1957 172.8471 73 E 4.8480 8.5689 118.3040 54.5993 32.2479 175.7270 74 G 3.7401 8.7487 111.2407 45.6466 0.0000 173.2466 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 5 T 8.17 4.36 4.25 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 6 N 7.87 4.80 0.00 2.79 2.84 0.00 0.00 7.11 6.75 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 7 S 8.82 4.50 0.00 4.15 3.94 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 8 D 8.54 4.82 0.00 2.76 2.74 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 9 F 7.81 5.28 0.00 2.94 2.93 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.83 4.57 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 0.58 0.00 0.00 0.87 0.00 0.00 11 V 8.62 4.78 2.20 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 1.16 0.00 0.00 1.15 0.00 0.00 12 I 8.88 4.94 1.86 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 1.08 0.61 0.91 0.00 0.00 13 K 9.11 5.04 0.00 1.91 1.82 0.00 1.66 0.00 0.00 1.66 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.40 7.81 14 A 8.87 4.41 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 15 L 8.91 4.69 0.00 1.63 1.71 0.99 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 16 E 7.68 4.66 0.00 2.03 1.89 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 2.19 2.33 0.00 17 D 8.32 4.44 0.00 2.69 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 18 G 8.75 3.91 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 0.00 0.00 0.00 19 V 7.33 3.83 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 0.88 0.00 0.00 1.00 0.00 0.00 20 N 9.17 5.34 0.00 2.59 2.59 0.00 0.00 6.27 8.18 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 21 V 8.85 4.50 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 0.74 0.00 0.00 0.89 0.00 0.00 22 I 8.74 4.58 1.50 0.00 0.00 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 0.78 0.34 -0.38 0.00 0.00 23 G 8.73 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 0.00 0.00 0.00 0.00 24 L 8.77 5.39 0.00 1.93 1.72 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.81 4.47 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 1.34 0.00 0.00 26 R 7.90 4.46 0.00 1.91 1.96 0.00 3.26 0.00 0.00 3.08 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.44 0.00 27 G 8.86 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 0.00 0.00 0.00 28 A 8.63 4.20 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 29 D 7.26 4.91 0.00 2.60 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.25 4.68 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 1.27 0.00 0.00 31 R 9.19 4.70 0.00 1.79 2.01 0.00 2.78 0.00 0.00 3.39 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 32 F 8.64 5.55 0.00 2.88 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 33 H 8.96 4.93 0.00 3.15 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 H 7.53 4.72 0.00 3.28 3.05 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 7.92 4.64 0.00 3.69 3.57 0.00 0.00 0.00 0.00 0.00 0.00 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 E 9.26 4.34 0.00 2.13 1.79 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 0.00 2.27 2.32 0.00 37 K 8.60 4.85 0.00 1.64 1.71 0.00 1.60 0.00 0.00 1.68 0.00 0.00 3.11 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.38 1.48 7.81 38 L 9.01 4.93 0.00 1.51 1.53 0.91 0.93 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 39 D 9.36 4.80 0.00 2.56 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 40 K 9.24 4.06 0.00 1.75 1.73 0.00 1.89 0.00 0.00 1.71 0.00 0.00 3.00 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.30 7.81 41 G 9.07 4.03 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 0.00 0.00 0.00 42 E 7.98 4.28 0.00 2.08 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 2.33 0.00 43 V 8.26 4.96 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 0.85 0.00 0.00 0.96 0.00 0.00 44 L 9.10 4.74 0.00 1.72 1.43 0.90 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 45 I 8.55 4.93 1.73 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.64 0.64 0.00 0.00 46 A 8.88 4.72 1.11 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 0.00 0.00 47 Q 8.62 4.77 0.00 1.96 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.95 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 48 F 8.42 4.73 0.00 3.04 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 49 T 8.84 4.63 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 1.28 0.00 0.00 50 E 8.98 4.17 0.00 1.93 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 2.00 2.25 0.00 51 H 7.84 4.59 0.00 3.36 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 8.14 5.13 4.36 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 0.00 0.00 0.00 1.35 0.00 0.00 53 S 9.00 4.95 0.00 3.81 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 0.00 54 A 7.93 5.21 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 55 I 8.53 4.92 1.85 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.70 0.84 0.00 0.00 56 K 8.96 4.57 0.00 1.82 1.53 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.38 7.81 57 V 8.38 4.82 2.06 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 0.86 0.00 0.00 0.90 0.00 0.00 58 R 9.13 4.56 0.00 1.73 1.77 0.00 3.15 0.00 0.00 3.19 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.51 0.00 59 G 9.02 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 0.00 0.00 0.00 0.00 60 K 9.56 4.74 0.00 1.84 1.72 0.00 1.69 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.46 1.26 7.81 61 A 8.67 5.09 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 62 Y 9.00 4.97 0.00 3.05 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 63 I 8.56 4.87 1.87 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.63 0.82 0.00 0.00 64 Q 8.82 4.99 0.00 1.91 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.53 0.00 0.00 0.00 0.00 0.00 2.09 1.97 0.00 65 T 8.67 4.82 4.12 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 1.15 0.00 0.00 66 R 8.53 3.76 0.00 1.58 1.71 0.00 3.15 0.00 0.00 3.20 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 67 H 8.46 4.70 0.00 3.18 3.28 0.00 5.70 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 6.79 3.75 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 0.00 0.00 0.00 69 V 7.80 4.80 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 0.69 0.00 0.00 1.00 0.00 0.00 70 I 8.10 4.45 1.83 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 1.22 1.09 0.85 0.00 0.00 71 E 8.67 5.28 0.00 1.90 1.87 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 2.52 2.45 0.00 72 S 8.88 4.70 0.00 3.95 3.98 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.57 4.85 0.00 1.94 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.30 0.00 74 G 8.75 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