NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4079 8.2929 116.7960 58.4074 63.8907 177.9986 3 Q 3.7828 8.7167 127.3066 57.1397 27.9247 173.9008 4 F 5.1518 7.5203 114.8811 56.7341 42.9425 174.6487 5 Q 4.8035 8.3604 119.7548 52.5492 31.9676 175.9555 6 E 4.1012 8.6965 118.4731 57.0206 30.2322 176.1817 7 V 4.3475 8.1298 125.1814 61.0232 33.1417 175.7484 8 R 4.2208 8.3898 126.1803 55.2907 31.2115 175.1323 9 P 4.6586 0.0000 0.0000 62.6618 30.1766 175.6353 10 V 4.5153 7.0824 109.5307 59.5972 36.1895 175.9460 11 A 4.0106 8.5457 124.1454 52.7291 18.8112 177.5648 12 Q 4.5216 8.5001 120.7200 53.9020 29.4453 176.5141 13 A 4.0936 8.5086 126.9428 54.4437 18.6584 178.2300 14 L 3.8877 7.7525 116.3614 56.7035 42.4002 175.8948 15 Y 4.8560 7.3686 114.9887 55.1557 40.9731 173.4273 16 P 4.6069 0.0000 0.0000 62.8723 32.3865 175.6963 17 T 4.5717 8.0017 114.3673 62.0561 71.7920 173.3168 18 H 5.0743 8.4131 121.1675 53.4058 31.8658 172.5400 19 P 4.5306 0.0000 0.0000 64.3430 31.8709 177.1248 20 S 4.6881 7.4924 112.2290 56.2706 66.6392 175.3833 21 T 3.9394 8.4572 113.9100 64.7270 68.4702 176.5127 22 K 3.9072 8.0561 121.9962 59.5682 32.2233 178.2356 23 D 4.3337 8.1879 118.8553 57.4302 40.7386 178.7722 24 A 3.9533 8.1848 121.2046 55.0317 18.2898 179.7286 25 L 4.1274 8.2700 117.7672 57.9547 41.6791 179.5036 26 E 3.9524 8.4305 118.6431 59.5706 29.3091 179.2725 27 E 3.9463 8.4505 118.5154 59.4107 29.5034 179.3615 28 A 4.2152 8.3159 120.8602 55.2247 18.2534 179.6831 29 R 3.7145 8.1924 116.5991 59.1193 30.1080 178.3082 30 L 4.0985 7.9072 118.5405 57.8119 41.6753 179.1334 31 L 4.1654 7.6917 118.0031 56.0476 42.8999 177.4006 32 F 4.6385 7.9227 116.7855 54.9649 39.0582 172.7383 33 P 4.4077 0.0000 0.0000 63.9540 32.2664 177.9641 34 G 3.7219 7.8993 107.9127 45.8093 0.0000 173.7812 35 G 4.0040 8.5229 108.5356 44.9566 0.0000 173.9891 36 T 4.2311 7.9777 108.7074 61.3684 70.7355 174.8662 37 H 4.1619 8.8044 121.9149 59.8125 29.9368 176.6139 38 H 4.2680 8.2791 118.4933 59.6073 30.0429 176.5274 39 D 4.5441 8.4227 120.6579 57.0686 40.5029 178.6408 40 F 3.8917 8.1587 117.0150 59.3805 38.8380 176.3510 *42 R 4.0179 7.8641 117.8910 56.0405 31.7190 176.6263 43 A 3.9749 7.8375 120.4112 55.4523 18.5138 179.8708 44 L 4.1616 7.6916 113.6206 55.4592 41.4085 179.4376 *46 G 3.7971 8.1624 110.3339 45.8511 0.0000 175.3628 47 Y 3.6081 7.8329 120.4623 60.4329 38.7062 176.9263 48 H 4.0348 8.5436 119.6401 59.7167 29.9287 176.7425 49 N 4.3160 8.1116 117.2996 56.5837 38.3796 177.4453 50 T 3.6967 7.5315 116.5374 66.4582 68.3002 176.5693 51 L 3.7422 7.5028 121.2061 57.9342 42.1659 178.5907 52 V 3.6365 7.6691 117.5519 66.0636 31.4631 177.6488 53 K 4.0968 7.6386 117.8840 59.1248 32.3990 179.5035 54 V 3.7891 7.4563 118.2310 62.7603 31.4093 176.8299 *56 E 4.2293 8.0608 113.2019 54.9085 31.3007 175.0010 57 E 4.0614 7.9172 125.7925 56.7852 29.5765 176.1516 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 2 S 8.29 4.41 0.00 3.92 3.31 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 3 Q 8.72 3.78 0.00 2.15 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.01 0.00 4 F 7.52 5.15 0.00 3.15 2.91 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 5 Q 8.36 4.80 0.00 2.01 1.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.16 1.87 0.00 6 E 8.70 4.10 0.00 1.93 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 2.30 2.29 0.00 7 V 8.13 4.35 2.19 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 0.98 0.00 0.00 1.00 0.00 0.00 8 R 8.39 4.22 0.00 1.86 1.85 0.00 3.27 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 9 P 0.00 4.66 0.00 2.17 2.09 0.00 3.71 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 10 V 7.08 4.52 2.10 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 0.76 0.00 0.00 0.96 0.00 0.00 11 A 8.55 4.01 1.26 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 12 Q 8.50 4.52 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.85 0.00 0.00 0.00 0.00 0.00 2.53 2.34 0.00 13 A 8.51 4.09 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 14 L 7.75 3.89 0.00 1.34 1.03 0.72 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 7.37 4.86 0.00 3.06 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 16 P 0.00 4.61 0.00 2.09 2.09 0.00 3.92 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.07 0.00 17 T 8.00 4.57 4.22 0.00 0.00 0.00 0.00 0.00 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 18 H 8.41 5.07 0.00 3.15 3.21 0.00 5.70 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 19 P 0.00 4.53 0.00 2.07 2.12 0.00 3.89 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.10 0.00 20 S 7.49 4.69 0.00 4.02 3.93 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 21 T 8.46 3.94 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 1.27 0.00 0.00 22 K 8.06 3.91 0.00 1.86 1.87 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.52 1.56 7.81 23 D 8.19 4.33 0.00 2.95 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 24 A 8.18 3.95 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.27 4.13 0.00 1.94 1.93 0.98 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 26 E 8.43 3.95 0.00 2.16 1.99 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 2.33 2.58 0.00 27 E 8.45 3.95 0.00 2.01 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 2.37 2.00 0.00 28 A 8.32 4.22 1.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.19 3.71 0.00 1.41 1.91 0.00 2.95 0.00 0.00 2.25 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.45 0.00 30 L 7.91 4.10 0.00 1.85 1.71 0.91 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 31 L 7.69 4.17 0.00 1.94 1.60 1.04 0.77 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 32 F 7.92 4.64 0.00 3.38 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 33 P 0.00 4.41 0.00 2.14 2.12 0.00 3.70 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 1.94 1.90 0.00 34 G 7.90 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.52 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.98 4.23 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 1.25 0.00 0.00 37 H 8.80 4.16 0.00 3.14 3.44 0.00 5.94 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 H 8.28 4.27 0.00 3.20 3.37 0.00 5.98 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 D 8.42 4.54 0.00 2.80 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 40 F 8.16 3.89 0.00 3.16 3.16 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 4.02 0.00 1.79 2.06 0.00 3.26 0.00 0.00 3.21 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.56 0.00 43 A 7.84 3.97 1.13 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 44 L 7.69 4.16 0.00 1.31 1.46 0.72 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 *46 G 8.16 3.80 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 0.00 0.00 0.00 47 Y 7.83 3.61 0.00 2.99 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 48 H 8.54 4.03 0.00 3.29 3.30 0.00 5.84 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 N 8.11 4.32 0.00 2.72 2.81 0.00 0.00 7.03 7.05 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 50 T 7.53 3.70 3.97 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 1.00 0.00 0.00 51 L 7.50 3.74 0.00 1.22 1.64 0.88 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 52 V 7.67 3.64 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 0.81 0.00 0.00 0.77 0.00 0.00 53 K 7.64 4.10 0.00 1.87 1.75 0.00 1.81 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.41 1.40 7.81 54 V 7.46 3.79 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 0.96 0.00 0.00 0.88 0.00 0.00 *56 E 8.06 4.23 0.00 2.12 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 0.00 2.41 2.29 0.00 57 E 7.92 4.06 0.00 2.13 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 2.30 2.24 0.00 * Residues marked with a * may have inaccurate shift predictions.