NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 D 4.6851 8.2233 120.4394 53.3742 42.9460 174.0810 7 S 4.9448 7.7353 114.9114 55.6738 67.2915 171.2254 8 W 5.0778 10.0445 135.0000 55.6082 33.4393 174.1040 9 L 4.6824 8.8641 127.2249 54.0382 42.2040 176.1652 10 I 4.4380 8.5284 124.1048 59.2591 41.8771 174.4553 11 D 4.8198 8.4958 125.0055 53.8524 41.6052 178.0544 12 G 4.0967 9.7624 111.7500 47.9430 0.0000 174.8779 13 A 4.2919 7.8238 120.0966 52.8622 19.0825 177.5671 14 T 3.9303 7.7942 114.9302 62.5348 69.2482 172.2581 15 P 4.4705 0.0000 0.0000 62.7987 32.1470 176.4809 16 L 3.6563 8.4915 125.7939 58.3140 42.0444 179.0577 17 E 3.7567 8.0591 115.8506 59.5450 29.8932 178.4911 18 D 4.4429 8.0417 118.1779 57.4586 41.2028 179.2519 19 V 3.4450 7.2815 117.2333 63.2105 31.1036 177.6039 *21 R 4.1624 8.1735 119.9992 55.7021 31.5503 177.1072 22 A 4.0834 7.9382 119.6025 54.8995 18.3886 177.9964 23 L 4.3636 7.8035 112.9157 54.2737 42.0119 176.2559 24 N 4.1213 7.7999 115.1772 54.3592 36.3215 174.5452 25 I 4.4009 7.8755 119.5483 60.6833 37.2681 175.4664 26 H 4.7638 8.9034 122.7106 56.2407 29.5721 175.4777 27 T 4.5341 8.1271 115.4976 61.6026 69.5833 173.0138 28 F 5.4001 7.6188 119.4886 53.3761 41.0452 172.7717 29 P 4.4058 0.0000 0.0000 62.6980 31.7077 176.0564 30 R 4.7276 8.0540 117.7790 54.8518 32.9865 173.9726 31 D 4.9325 8.0778 118.0878 52.9810 40.6722 175.8358 32 E 4.3357 8.8083 117.6597 56.9483 30.1631 175.5603 33 N 4.9222 8.2951 117.3462 51.2685 40.3273 174.2356 34 Y 4.2239 8.5674 122.6912 58.3985 39.4138 174.9920 35 E 4.6874 7.7722 125.5688 54.4351 33.8566 173.9293 36 T 4.9063 8.3806 113.8727 59.5865 72.1958 175.0515 37 I 3.5060 8.4997 122.3731 64.1435 38.2079 177.1754 38 G 3.9694 8.1819 108.5574 48.7285 0.0000 174.8235 39 G 3.7117 8.1857 108.3175 48.2703 0.0000 174.7447 40 F 4.4092 7.9459 123.3092 58.2931 36.1828 173.8438 *43 Y 4.4173 7.7512 121.8075 56.9037 40.4032 176.2111 *45 L 3.8168 7.9199 119.1624 53.0994 43.4326 177.9830 46 R 3.6627 7.1276 113.5476 56.9826 27.9622 175.8077 *48 I 3.9131 7.5879 117.7436 60.2414 38.1478 174.0372 49 P 4.4844 0.0000 0.0000 62.9399 31.8645 176.3165 *52 T 4.5760 8.2033 108.7595 61.6077 70.7172 174.2063 53 D 4.6705 8.0026 121.6159 55.0284 41.8702 175.7436 54 F 5.5889 8.1150 114.9514 55.3720 41.4556 173.6442 55 V 4.5758 9.1233 119.9984 61.2195 33.8470 174.6906 56 L 5.2203 8.8430 127.2225 53.3243 43.5536 175.3015 57 Y 4.7876 9.5219 124.1040 57.5010 42.1703 174.8539 58 D 3.8986 7.8751 125.7848 56.2335 42.3479 173.1691 *60 Y 5.1291 7.0262 114.2445 57.8618 38.6793 174.6371 *62 F 4.6806 8.3268 122.2781 58.6250 40.6377 173.5067 63 E 5.1599 8.5267 125.1500 54.2398 31.8930 174.8603 64 I 4.0387 8.7037 128.5732 61.9385 36.9479 175.7715 65 I 4.2160 8.7509 129.0221 63.0887 38.4151 176.1325 66 D 4.8647 7.8607 119.8903 52.8693 44.7852 173.9465 67 T 5.0200 8.4508 114.8576 60.1152 71.2786 173.3398 68 E 4.3824 8.6860 124.7006 55.1216 33.5607 174.4950 69 N 3.8574 9.1579 124.6572 54.7872 37.2497 174.3670 70 F 4.1175 7.8242 111.4537 57.7904 37.0355 175.0944 71 R 4.7470 7.5083 118.8791 53.8796 33.7206 174.7939 72 I 4.1157 8.1275 120.5049 61.6356 37.6396 176.1425 73 D 4.4604 9.4662 126.2290 56.0308 42.4968 176.1174 74 Q 5.1355 7.9315 116.1638 53.7764 32.7543 173.8269 75 L 5.2350 8.6743 124.8418 53.7508 44.3616 175.4140 *77 V 3.9912 8.3766 116.3094 62.8241 33.0887 175.1703 78 S 5.0680 8.0866 120.1185 56.4150 67.1246 172.8827 79 F 4.9077 7.9651 118.8051 57.7700 39.0190 177.6524 80 R 4.1019 8.3826 120.4242 55.6467 30.6347 176.2392 *82 D 4.3826 8.5806 117.0785 54.2243 39.6804 175.0451 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 6 D 8.22 4.69 0.00 2.82 2.60 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 7 S 7.74 4.94 0.00 3.82 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 8 W 10.04 5.08 0.00 3.02 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 9 L 8.86 4.68 0.00 1.62 1.58 0.96 0.84 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 10 I 8.53 4.44 1.54 0.00 0.00 -0.22 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 -0.27 0.60 0.00 0.00 11 D 8.50 4.82 0.00 2.62 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 G 9.76 4.10 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 0.00 0.00 0.00 13 A 7.82 4.29 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 14 T 7.79 3.93 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 1.12 0.00 0.00 15 P 0.00 4.47 0.00 2.18 2.10 0.00 3.62 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 16 L 8.49 3.66 0.00 1.51 1.48 0.24 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 17 E 8.06 3.76 0.00 1.96 2.04 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 0.00 2.42 2.66 0.00 18 D 8.04 4.44 0.00 2.90 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 19 V 7.28 3.44 1.97 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 0.82 0.00 0.00 0.73 0.00 0.00 *21 R 8.17 4.16 0.00 2.04 1.95 0.00 3.32 0.00 0.00 3.42 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.73 0.00 22 A 7.94 4.08 1.60 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 23 L 7.80 4.36 0.00 1.63 1.32 0.67 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 24 N 7.80 4.12 0.00 3.05 3.04 0.00 0.00 6.88 7.54 0.00 0.00 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 I 7.88 4.40 1.95 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.01 1.29 0.00 0.00 26 H 8.90 4.76 0.00 3.25 3.43 0.00 5.64 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 27 T 8.13 4.53 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 1.29 0.00 0.00 28 F 7.62 5.40 0.00 2.66 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 29 P 0.00 4.41 0.00 2.26 2.12 0.00 3.46 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 2.35 2.28 0.00 30 R 8.05 4.73 0.00 1.81 1.80 0.00 2.75 0.00 0.00 3.04 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.52 0.00 31 D 8.08 4.93 0.00 2.67 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 8.81 4.34 0.00 1.97 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 0.00 2.26 2.30 0.00 33 N 8.30 4.92 0.00 2.80 2.76 0.00 0.00 6.85 7.36 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 34 Y 8.57 4.22 0.00 2.99 2.95 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.77 4.69 0.00 1.93 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 2.25 0.00 36 T 8.38 4.91 4.42 0.00 0.00 0.00 0.00 0.00 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 37 I 8.50 3.51 1.71 0.00 0.00 0.58 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 0.64 0.92 0.00 0.00 38 G 8.18 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 0.00 0.00 0.00 0.00 39 G 8.19 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.95 4.41 0.00 2.78 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.75 4.42 0.00 3.08 3.04 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 0.00 0.00 0.00 0.00 *45 L 7.92 3.82 0.00 1.58 1.65 0.87 0.90 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 46 R 7.13 3.66 0.00 1.69 1.94 0.00 2.98 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.31 0.00 *48 I 7.59 3.91 1.87 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 1.47 0.46 0.94 0.00 0.00 49 P 0.00 4.48 0.00 2.18 2.05 0.00 3.81 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 2.02 1.97 0.00 *52 T 8.20 4.58 4.32 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 0.00 0.00 0.00 1.25 0.00 0.00 53 D 8.00 4.67 0.00 2.62 2.60 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 54 F 8.12 5.59 0.00 3.09 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 55 V 9.12 4.58 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 0.80 0.00 0.00 0.85 0.00 0.00 56 L 8.84 5.22 0.00 1.86 1.76 1.16 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 57 Y 9.52 4.79 0.00 3.34 3.29 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 58 D 7.88 3.90 0.00 2.85 3.05 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 *60 Y 7.03 5.13 0.00 3.04 2.33 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 *62 F 8.33 4.68 0.00 3.20 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 63 E 8.53 5.16 0.00 2.11 1.84 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 2.36 2.57 0.00 64 I 8.70 4.04 1.91 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 1.26 0.83 0.93 0.00 0.00 65 I 8.75 4.22 1.99 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 1.27 0.79 0.91 0.00 0.00 66 D 7.86 4.86 0.00 2.74 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 T 8.45 5.02 4.29 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 1.27 0.00 0.00 68 E 8.69 4.38 0.00 2.17 1.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.21 0.00 69 N 9.16 3.86 0.00 2.72 2.76 0.00 0.00 7.21 7.02 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 70 F 7.82 4.12 0.00 3.32 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 71 R 7.51 4.75 0.00 1.80 1.79 0.00 3.34 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.74 0.00 72 I 8.13 4.12 1.87 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 1.30 0.55 0.92 0.00 0.00 73 D 9.47 4.46 0.00 2.80 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 74 Q 7.93 5.14 0.00 1.95 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.32 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 75 L 8.67 5.23 0.00 1.81 1.62 1.06 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *77 V 8.38 3.99 2.05 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 0.50 0.00 0.00 0.71 0.00 0.00 78 S 8.09 5.07 0.00 3.88 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 79 F 7.97 4.91 0.00 3.02 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 80 R 8.38 4.10 0.00 2.06 2.04 0.00 3.13 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.66 0.00 *82 D 8.58 4.38 0.00 2.85 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 * Residues marked with a * may have inaccurate shift predictions.