NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 S 4.2299 8.4345 115.2923 58.2703 62.3123 173.3785 5 L 3.4766 8.4253 121.7710 53.2691 37.1657 170.4324 6 S 4.3135 8.5410 120.2361 60.0669 64.5978 174.6087 7 Y 4.6847 7.8176 121.0867 55.6980 39.9977 174.4175 8 R 4.4673 7.0665 121.1666 54.3409 32.5776 175.5088 9 C 4.3285 8.2365 116.6609 56.2972 40.7798 172.7014 10 P 3.9085 0.0000 0.0000 64.5953 31.1617 177.1328 11 C 4.4336 7.5172 117.1752 55.5449 40.8089 174.6474 12 R 3.8595 8.2172 124.5055 58.5651 29.4153 172.4066 13 F 4.6696 6.6681 109.2777 56.5060 40.1893 172.6440 14 F 4.8050 8.8101 118.7908 55.5471 41.6677 175.0171 15 E 4.5130 9.3265 125.8899 56.0331 29.7540 177.3523 16 S 4.8183 8.6868 119.0343 58.4296 63.4871 174.3604 17 H 5.0127 8.1193 116.6355 56.0490 30.7714 174.5851 18 V 3.6305 8.0693 112.9722 61.5936 31.7084 175.8275 19 A 4.3741 8.3550 129.8155 51.0327 20.7318 177.7789 20 R 2.0000 7.1886 116.3588 58.8781 29.2248 176.7792 21 A 4.1730 7.2987 118.8658 53.3381 18.5667 177.8516 22 N 4.5363 7.7943 113.9455 55.0572 39.7243 175.7389 23 V 4.5218 7.6337 113.3726 61.0424 33.0950 176.9796 24 K 4.4646 9.5009 128.6081 57.3274 32.4915 177.4930 25 H 4.9159 7.6580 115.4922 54.0348 31.8222 171.9317 26 L 4.7879 8.5502 122.1809 53.7440 42.8004 175.8555 27 K 4.6598 8.9144 124.2710 54.6851 35.7429 175.0648 28 I 4.7198 8.4394 129.4565 60.1967 38.1667 175.9447 29 L 4.0948 9.0327 131.4249 54.7383 41.7316 173.4662 30 N 5.2065 8.5081 122.5777 50.9786 37.9285 173.3262 31 T 4.5883 7.7455 112.4730 58.8192 71.4500 173.5474 32 P 4.2067 0.0000 0.0000 64.0744 31.7532 176.2854 33 N 4.3653 9.0202 118.5990 54.1391 37.6185 174.1262 34 C 5.1168 7.7191 112.1766 54.9782 43.6365 173.8543 35 A 4.3627 8.3492 124.6051 51.6020 18.7826 177.5608 36 L 4.4461 8.2751 119.8294 55.6122 42.5396 177.0139 37 Q 4.6856 8.7640 120.1157 54.4439 33.8427 173.9160 38 I 4.6285 8.4605 123.9295 60.5243 39.0821 174.7938 39 V 4.8288 8.9282 126.8507 61.1456 34.1953 174.1422 40 A 5.4974 8.8377 131.8045 50.1441 22.4053 175.5753 41 R 4.8493 8.0369 119.5228 55.1949 31.5516 177.2124 42 L 4.4414 8.8625 126.9431 54.5335 42.4651 178.9803 43 K 4.2562 9.4370 126.5163 57.7487 31.9003 178.9556 44 N 4.5589 8.3313 115.6280 54.9848 37.4956 175.8260 45 N 4.7438 7.9145 112.2610 52.5569 40.0296 174.8749 46 N 4.6445 8.4405 117.5720 54.4143 38.0611 174.3916 47 R 4.1653 7.3995 117.4726 57.3171 30.5558 180.4620 48 Q 4.5802 8.6071 125.7996 55.2723 30.0336 175.4458 49 V 4.5041 9.1654 118.6687 59.8128 36.7501 173.6992 50 C 5.0920 8.4550 120.7869 56.5182 41.6744 172.4647 51 I 5.0174 8.3213 124.3068 59.3046 39.2535 175.0550 52 D 4.2203 8.6841 126.3499 53.7163 41.2566 175.3309 53 P 4.1020 0.0000 0.0000 65.7971 31.4817 178.4805 54 K 4.2378 7.9393 117.6838 55.6886 31.9607 182.3004 55 L 4.1586 7.7763 119.8797 55.0845 42.5432 177.4405 56 K 3.8623 8.9181 124.3598 59.7023 32.1904 179.2359 57 W 4.3588 8.2221 115.9463 59.5021 28.1285 178.3312 58 I 3.2343 6.5365 120.3146 63.7661 36.4026 178.0617 59 Q 3.9317 8.0738 119.3218 59.2159 28.6643 178.9325 60 E 3.9896 8.2354 119.4693 59.2104 29.2109 178.7727 61 Y 4.0737 7.8032 118.9173 60.9116 39.0270 178.0552 62 L 4.0318 8.2864 121.1062 58.2223 41.7486 179.7418 63 E 4.2196 8.4425 120.2221 60.2765 30.1668 180.9517 64 K 4.8137 7.6118 118.0238 54.4275 32.7903 180.0806 65 A 4.1838 7.7186 120.4223 53.0825 19.8981 178.5454 *66 L 4.0971 7.7509 125.4536 56.0304 41.6762 179.1679 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 4 S 8.43 4.23 0.00 3.85 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 5 L 8.43 3.48 0.00 1.86 1.48 0.92 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 6 S 8.54 4.31 0.00 4.02 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 7 Y 7.82 4.68 0.00 2.91 2.90 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 8 R 7.07 4.47 0.00 1.75 1.71 0.00 3.02 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.46 0.00 9 C 8.24 4.33 0.00 2.91 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 10 P 0.00 3.91 0.00 1.96 2.04 0.00 3.82 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 2.00 2.04 0.00 11 C 7.52 4.43 0.00 2.76 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 0.00 0.00 0.00 0.00 12 R 8.22 3.86 0.00 1.83 1.84 0.00 3.30 0.00 0.00 3.28 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.18 0.00 13 F 6.67 4.67 0.00 3.07 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 14 F 8.81 4.80 0.00 3.04 3.06 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 15 E 9.33 4.51 0.00 2.05 1.98 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 2.44 2.18 0.00 16 S 8.69 4.82 0.00 3.91 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 17 H 8.12 5.01 0.00 3.19 3.35 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.07 3.63 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 0.75 0.00 0.00 1.11 0.00 0.00 19 A 8.35 4.37 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 20 R 7.19 2.00 0.00 1.75 1.94 0.00 3.26 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.21 0.00 21 A 7.30 4.17 1.15 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 0.00 0.00 22 N 7.79 4.54 0.00 2.76 2.83 0.00 0.00 6.88 7.48 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 23 V 7.63 4.52 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 0.76 0.00 0.00 0.99 0.00 0.00 24 K 9.50 4.46 0.00 1.44 1.70 0.00 1.82 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.34 1.25 7.81 25 H 7.66 4.92 0.00 3.17 3.39 0.00 5.41 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 L 8.55 4.79 0.00 1.41 1.52 0.04 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 27 K 8.91 4.66 0.00 1.96 1.63 0.00 1.73 0.00 0.00 1.65 0.00 0.00 2.74 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.31 1.24 7.81 28 I 8.44 4.72 1.91 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.80 0.94 0.00 0.00 29 L 9.03 4.09 0.00 1.29 1.56 0.92 0.34 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 30 N 8.51 5.21 0.00 2.67 2.72 0.00 0.00 7.13 7.70 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 31 T 7.75 4.59 4.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 32 P 0.00 4.21 0.00 1.97 1.99 0.00 3.95 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.08 0.00 33 N 9.02 4.37 0.00 2.89 3.13 0.00 0.00 6.85 7.65 0.00 0.00 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 C 7.72 5.12 0.00 3.17 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 35 A 8.35 4.36 1.27 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 0.00 0.00 36 L 8.28 4.45 0.00 1.53 1.64 0.93 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 37 Q 8.76 4.69 0.00 2.05 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.92 0.00 0.00 0.00 0.00 0.00 2.73 2.50 0.00 38 I 8.46 4.63 1.84 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.89 0.82 0.00 0.00 39 V 8.93 4.83 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 0.98 0.00 0.00 0.92 0.00 0.00 40 A 8.84 5.50 1.25 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 0.00 0.00 0.00 41 R 8.04 4.85 0.00 1.51 1.81 0.00 3.25 0.00 0.00 3.34 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.21 0.00 42 L 8.86 4.44 0.00 1.59 1.60 0.93 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 43 K 9.44 4.26 0.00 1.48 1.72 0.00 1.80 0.00 0.00 1.75 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.38 1.26 7.81 44 N 8.33 4.56 0.00 2.82 2.96 0.00 0.00 5.80 8.04 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 45 N 7.91 4.74 0.00 2.87 3.01 0.00 0.00 5.93 6.96 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 46 N 8.44 4.64 0.00 2.85 2.96 0.00 0.00 7.24 7.65 0.00 0.00 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 R 7.40 4.17 0.00 1.59 1.80 0.00 3.32 0.00 0.00 3.09 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.45 0.00 48 Q 8.61 4.58 0.00 2.03 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.74 6.74 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 49 V 9.17 4.50 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 0.70 0.00 0.00 0.99 0.00 0.00 50 C 8.46 5.09 0.00 2.58 2.76 0.00 0.00 0.00 0.00 0.00 0.00 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 I 8.32 5.02 1.81 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.57 0.85 0.00 0.00 52 D 8.68 4.22 0.00 2.90 2.56 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 53 P 0.00 4.10 0.00 1.90 1.95 0.00 3.34 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.84 0.00 54 K 7.94 4.24 0.00 1.77 1.72 0.00 1.81 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.68 0.00 0.00 0.00 0.00 1.36 1.03 7.81 55 L 7.78 4.16 0.00 1.42 1.43 1.07 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.92 3.86 0.00 1.90 1.97 0.00 1.73 0.00 0.00 1.91 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.57 1.57 7.81 57 W 8.22 4.36 0.00 3.67 3.36 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 0.00 58 I 6.54 3.23 1.43 0.00 0.00 0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.14 0.65 0.00 0.00 59 Q 8.07 3.93 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.59 0.00 60 E 8.24 3.99 0.00 2.14 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 0.00 2.36 2.46 0.00 61 Y 7.80 4.07 0.00 3.12 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 62 L 8.29 4.03 0.00 1.75 1.68 0.88 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 63 E 8.44 4.22 0.00 2.06 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 2.26 2.19 0.00 64 K 7.61 4.81 0.00 1.73 1.63 0.00 1.76 0.00 0.00 1.71 0.00 0.00 2.91 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.27 1.21 7.81 65 A 7.72 4.18 0.90 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 0.00 0.00 *66 L 7.75 4.10 0.00 1.37 1.46 0.90 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.