NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 K 4.2751 8.2729 122.1404 55.1254 34.2695 177.9335 8 T 3.9386 7.9250 108.0036 61.5870 68.5881 172.7230 9 V 4.0877 8.2663 121.7399 64.5560 33.3956 183.2498 10 K 4.2065 8.0290 123.2660 56.3637 31.3207 180.7689 11 R 4.1330 7.3439 120.0453 60.9942 28.8644 183.3729 12 A 4.1888 8.2862 121.3845 56.2570 18.5974 180.3610 13 S 4.1827 8.0933 118.4008 64.3572 62.5288 179.4727 14 K 4.4449 8.3331 126.8356 58.0598 31.2471 179.5577 15 A 4.8731 8.2397 122.3202 53.1071 18.0565 178.0590 16 L 4.7607 7.9983 119.8068 55.6938 43.0652 181.6054 17 I 4.4628 7.7818 115.7437 61.5402 37.3698 182.6590 18 E 4.1858 8.1466 116.5835 58.8584 29.4004 182.5641 19 R 4.4537 7.2010 114.9260 56.9476 32.7865 181.7005 *20 Y 4.0951 7.9675 121.0192 59.0562 37.8488 179.0170 *21 Y 3.8765 7.7174 118.4371 57.0275 37.5190 169.7775 22 P 5.4976 0.0000 0.0000 61.8432 33.4287 172.2178 23 K 4.2648 8.1484 123.5102 56.3431 32.6628 180.5833 24 L 3.7461 8.2180 115.5809 58.3289 38.5086 171.6336 25 T 4.7695 8.4498 112.0940 59.5447 72.1293 177.1201 26 L 5.7320 8.1649 135.0000 55.6268 43.0051 175.5656 27 D 4.7071 7.2738 120.7476 54.3122 40.8940 182.2195 *28 F 4.1389 8.8227 116.4712 60.5170 38.2241 172.0555 29 Q 5.8181 8.0363 132.2969 57.7732 32.1232 181.3164 30 T 4.3149 8.0651 113.8743 63.9103 68.9147 177.2830 31 N 5.1790 7.7218 118.3184 53.2642 38.5446 181.2369 32 K 4.4722 7.8444 123.5458 56.4622 33.1404 179.5279 33 R 4.6402 7.3335 115.4140 57.0423 31.3713 181.4281 34 L 4.2160 8.5317 121.1819 56.8206 41.7590 179.9384 35 C 4.9690 7.2419 116.1080 57.0055 28.5394 181.2737 36 D 4.8985 7.4322 123.2637 53.5069 41.8653 177.8697 37 E 4.2738 8.2006 119.5804 56.9167 31.3135 179.2424 38 I 5.0193 8.1735 128.0916 61.8367 37.7355 176.9873 39 A 3.5533 8.0273 130.9407 52.9945 17.9746 177.6459 40 T 3.8986 8.1368 118.7651 62.8225 69.1006 172.0651 41 I 4.6406 7.5359 123.4153 58.3523 36.8565 177.4286 42 Q 4.8316 7.5871 125.2600 55.5669 32.7422 176.1817 43 S 4.4997 8.1049 115.1299 60.3105 67.9744 171.6234 44 K 4.0605 9.4153 125.0492 57.9278 31.0138 176.6865 45 R 4.7302 8.7695 118.6693 56.4706 30.2618 179.4779 46 L 4.8235 7.4778 119.4510 53.3484 44.2379 180.9390 47 R 4.0034 8.3216 122.0963 63.1471 28.5585 183.9016 48 N 4.5567 8.4259 119.3794 58.7182 37.1533 182.5024 49 K 4.3231 8.5535 127.1519 60.0718 31.3446 182.7605 50 I 4.2644 7.8543 118.3938 64.2541 36.1958 181.8266 51 A 4.3237 7.9834 122.6537 55.1124 18.1662 179.6345 52 G 3.5995 9.3996 106.8686 48.8139 0.0000 175.6699 *53 Y 4.1944 7.4141 126.6642 63.0262 36.8438 181.0390 54 T 4.1054 9.9032 118.3640 67.1380 68.1600 178.9646 55 T 4.0933 8.2062 118.2632 67.5340 68.8209 177.9127 *56 H 3.8769 8.7852 120.0220 61.6442 28.1473 178.7930 57 L 4.4268 8.0093 127.9016 59.4244 41.3968 181.3185 58 M 4.6870 8.6081 121.1510 60.2001 31.6436 183.2350 59 K 4.5728 10.4342 126.1247 56.6712 31.5811 185.0000 60 R 3.3170 8.4484 113.5265 58.4909 30.2349 179.9796 61 I 3.9471 9.0503 118.7754 60.8512 36.6283 177.8557 62 Q 4.0798 7.6683 122.1617 56.5861 25.4525 181.3500 63 K 3.6294 8.3871 127.7257 55.5876 31.9293 173.6480 64 G 3.9862 8.7982 102.1149 48.1040 0.0000 171.1952 65 P 4.0799 0.0000 0.0000 63.9954 29.3043 174.9967 66 V 3.9843 9.0629 114.6619 66.2408 30.0565 177.9288 67 R 3.7364 7.6917 118.9024 56.2401 29.5591 178.3738 68 G 3.1340 8.2205 109.7556 44.3568 0.0000 174.4355 69 I 3.4428 8.7206 125.8457 59.9037 35.0227 177.0555 70 S 4.2732 7.7754 115.7271 59.7650 62.8575 181.1895 *71 F 3.6518 8.6488 119.8657 59.2208 36.4515 175.2554 72 K 3.7852 9.4667 116.2668 58.8047 28.9230 171.2547 73 L 4.0849 8.1037 124.2074 55.4402 40.7377 176.5458 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 7 K 8.27 4.28 0.00 1.70 1.84 0.00 1.76 0.00 0.00 1.81 0.00 0.00 2.91 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.34 1.01 7.81 8 T 7.92 3.94 4.24 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 1.21 0.00 0.00 9 V 8.27 4.09 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 0.65 0.00 0.00 0.93 0.00 0.00 10 K 8.03 4.21 0.00 1.67 1.84 0.00 1.76 0.00 0.00 1.85 0.00 0.00 2.85 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.01 7.81 11 R 7.34 4.13 0.00 1.81 1.80 0.00 3.25 0.00 0.00 3.34 8.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.27 0.00 12 A 8.29 4.19 1.33 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 0.00 0.00 13 S 8.09 4.18 0.00 3.73 3.82 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 14 K 8.33 4.44 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.37 1.32 7.81 15 A 8.24 4.87 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 16 L 8.00 4.76 0.00 1.48 1.59 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.78 4.46 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.21 0.91 0.00 0.00 18 E 8.15 4.19 0.00 1.93 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 2.26 2.12 0.00 19 R 7.20 4.45 0.00 1.79 1.64 0.00 3.27 0.00 0.00 3.26 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.15 0.00 *20 Y 7.97 4.10 0.00 2.33 2.26 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 *21 Y 7.72 3.88 0.00 2.47 2.37 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 5.50 0.00 2.08 1.92 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.36 0.00 23 K 8.15 4.26 0.00 1.77 1.67 0.00 1.93 0.00 0.00 1.74 0.00 0.00 2.85 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.36 1.00 7.81 24 L 8.22 3.75 0.00 1.81 1.60 0.92 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 25 T 8.45 4.77 4.24 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 1.21 0.00 0.00 26 L 8.16 5.73 0.00 1.73 1.61 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 27 D 7.27 4.71 0.00 2.60 2.63 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 0.00 0.00 0.00 0.00 *28 F 8.82 4.14 0.00 2.29 2.25 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 29 Q 8.04 5.82 0.00 1.98 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.84 0.00 0.00 0.00 0.00 0.00 2.05 1.92 0.00 30 T 8.07 4.31 4.24 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 1.21 0.00 0.00 31 N 7.72 5.18 0.00 2.73 2.62 0.00 0.00 6.75 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 K 7.84 4.47 0.00 1.76 1.74 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.80 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.28 0.98 7.81 33 R 7.33 4.64 0.00 1.67 1.83 0.00 3.21 0.00 0.00 3.37 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.05 0.00 34 L 8.53 4.22 0.00 1.66 1.59 0.92 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 0.00 0.00 0.00 0.00 35 C 7.24 4.97 0.00 2.57 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 D 7.43 4.90 0.00 2.64 2.45 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.27 0.00 1.98 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 2.21 1.87 0.00 38 I 8.17 5.02 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.88 0.91 0.00 0.00 39 A 8.03 3.55 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 40 T 8.14 3.90 4.24 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 1.21 0.00 0.00 41 I 7.54 4.64 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.24 0.91 0.00 0.00 42 Q 7.59 4.83 0.00 2.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.50 6.72 0.00 0.00 0.00 0.00 0.00 2.16 1.88 0.00 43 S 8.10 4.50 0.00 3.56 3.44 0.00 0.00 0.00 0.00 0.00 0.00 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 K 9.42 4.06 0.00 1.77 1.50 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.36 1.01 7.81 45 R 8.77 4.73 0.00 1.80 1.77 0.00 3.18 0.00 0.00 3.26 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.16 0.00 46 L 7.48 4.82 0.00 1.49 1.59 0.92 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 47 R 8.32 4.00 0.00 1.80 2.02 0.00 3.23 0.00 0.00 3.37 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.31 0.00 48 N 8.43 4.56 0.00 2.72 2.88 0.00 0.00 7.03 7.51 0.00 0.00 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 K 8.55 4.32 0.00 1.74 1.87 0.00 1.76 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.38 1.34 7.81 50 I 7.85 4.26 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.60 0.91 0.00 0.00 51 A 7.98 4.32 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.40 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.41 4.19 0.00 2.33 2.36 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 54 T 9.90 4.11 4.24 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 1.21 0.00 0.00 55 T 8.21 4.09 4.24 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 1.21 0.00 0.00 *56 H 8.79 3.88 0.00 2.92 2.95 0.00 7.18 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 57 L 8.01 4.43 0.00 1.69 1.70 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 58 M 8.61 4.69 0.00 1.96 2.09 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.41 0.00 59 K 10.43 4.57 0.00 1.76 1.66 0.00 1.81 0.00 0.00 1.68 0.00 0.00 2.90 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.37 1.32 7.81 60 R 8.45 3.32 0.00 1.85 1.54 0.00 3.23 0.00 0.00 3.26 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.51 0.00 61 I 9.05 3.95 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00 62 Q 7.67 4.08 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 5.76 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 63 K 8.39 3.63 0.00 1.87 1.58 0.00 1.81 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.32 1.24 7.81 64 G 8.80 3.99 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 0.00 0.00 0.00 65 P 0.00 4.08 0.00 2.28 1.09 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.57 0.00 66 V 9.06 3.98 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 0.86 0.00 0.00 0.93 0.00 0.00 67 R 7.69 3.74 0.00 1.84 1.73 0.00 3.27 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.26 0.00 68 G 8.22 3.13 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 0.00 0.00 0.00 0.00 69 I 8.72 3.44 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.59 0.91 0.00 0.00 70 S 7.78 4.27 0.00 3.62 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 *71 F 8.65 3.65 0.00 2.45 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 K 9.47 3.79 0.00 1.86 1.73 0.00 1.92 0.00 0.00 1.74 0.00 0.00 2.96 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.28 0.98 7.81 73 L 8.10 4.08 0.00 1.76 1.48 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.