NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4233 8.3049 120.3218 55.1905 34.0925 175.6049 2 K 3.9645 7.8153 117.3108 55.8972 32.6097 173.8705 3 E 4.2181 9.5486 124.7996 58.3941 31.1007 176.3285 4 T 4.4918 7.2797 112.0199 61.7600 72.9122 172.7846 5 R 4.2720 7.7346 121.2466 54.6799 32.6573 174.9466 6 Y 5.3365 8.0135 118.6961 55.9099 42.1251 174.8855 7 C 4.5249 9.6913 123.6128 59.5743 31.9305 174.6052 8 A 4.1255 8.8856 130.2782 54.8692 18.4542 178.7327 9 V 3.8669 7.9158 114.9662 65.1434 32.0987 176.4145 10 C 4.8242 7.6386 110.4127 56.2920 30.5417 174.2655 11 N 4.3268 8.2263 116.6396 54.1682 36.0804 173.4720 12 D 4.6370 7.5795 118.9014 52.7158 43.7505 174.7601 13 Y 4.7176 8.2267 117.6046 58.9289 38.0228 177.0500 14 A 4.7263 9.1399 126.4432 51.8607 19.1842 177.1888 15 S 4.7534 9.6207 114.4901 59.1217 65.6615 174.3694 16 G 3.8742 7.5068 107.4661 45.2731 0.0000 170.7725 17 Y 4.2682 7.9894 122.6872 55.8670 40.0806 175.4411 18 H 4.5645 7.9585 124.5419 55.1796 31.8032 174.0002 19 Y 3.2837 8.9898 118.6684 58.9694 35.3826 171.4133 20 G 3.8694 8.8890 105.8515 44.9661 0.0000 173.8294 21 V 4.2413 6.8323 111.4078 58.6141 36.7441 174.6896 22 W 4.5689 8.8834 123.0499 57.3475 30.0513 175.3745 23 S 5.1333 9.1348 117.9128 57.1102 66.8435 173.2964 24 C 4.8475 8.3154 115.6194 57.1468 31.1750 174.6633 25 E 4.1021 8.9257 119.8178 59.6057 28.8220 179.4430 26 G 3.7745 8.2444 105.1277 48.5216 0.0000 175.2568 27 C 4.2273 8.1268 119.1433 61.7306 28.1710 176.2487 28 K 4.1253 8.0875 120.7617 59.5770 31.8416 178.7622 29 A 4.0412 8.1933 121.0320 55.1010 18.2881 178.8774 30 F 3.8329 8.5737 119.4844 61.7384 39.3546 177.1269 31 F 3.9648 8.7400 119.9513 61.1099 38.9680 176.5386 32 K 3.5522 8.3062 118.2191 60.0632 32.2772 178.2451 33 R 3.9275 8.2515 118.1091 59.4903 29.7662 179.3869 34 S 4.0631 7.4339 114.2230 61.0146 62.8505 176.0058 35 I 3.8402 7.1259 116.0970 62.4475 37.9541 176.9568 36 Q 4.3682 7.4352 122.9734 56.9904 29.0488 179.8322 37 G 4.0045 8.3687 109.3265 44.4004 0.0000 174.3933 *38 H 4.2103 8.4064 116.0423 54.9383 28.2169 171.2483 39 N 4.6626 8.3650 120.5727 52.1179 41.5918 175.9498 *40 D 4.7614 8.2904 123.4271 51.7225 38.8142 171.0344 41 Y 5.0861 7.6546 121.1436 56.4607 40.0058 175.3212 42 M 4.9011 8.5031 122.1832 53.6184 35.4953 174.3479 43 C 4.6369 8.3484 120.9498 57.3441 33.0538 172.6243 44 P 4.4870 0.0000 0.0000 63.8291 32.9834 175.7845 45 A 4.7260 7.2249 120.6124 52.8519 18.2452 176.7411 46 T 4.5196 8.7952 107.7267 63.2669 68.9154 173.3415 47 N 4.3845 8.6405 116.2222 55.0806 35.5041 174.4245 48 Q 4.6050 7.7397 113.6306 55.2633 30.0184 175.3100 49 C 4.3378 8.0413 114.3089 59.8771 29.1784 173.6653 50 T 4.2328 8.1894 118.4924 62.4275 68.5587 174.9517 51 I 4.1876 8.1556 128.5324 59.7323 37.3014 173.8234 52 D 5.5190 7.7904 126.6796 50.3399 41.9554 176.0785 53 K 3.9488 8.5950 118.3325 59.3721 32.4417 178.3625 54 N 4.5745 8.6648 115.7094 54.8403 39.3116 176.5536 55 R 4.3724 8.0432 115.2516 56.1649 30.3320 178.2180 56 R 3.8213 7.4128 117.0837 59.0953 29.5216 178.3521 57 K 4.1168 7.7725 116.0804 57.5353 32.3576 178.7448 58 S 4.5031 7.5328 115.5709 59.6519 63.1558 173.5143 59 C 4.6119 7.4440 122.8059 57.0940 32.6855 174.0732 60 Q 3.5768 8.3765 127.3010 58.0998 28.2348 178.4989 61 A 4.0553 7.7141 121.7638 55.5768 18.7265 179.4005 62 C 4.1694 7.9550 114.5850 62.5447 28.0907 176.3566 63 R 3.6421 7.5174 120.7975 59.2005 29.5613 178.2157 64 L 4.1597 7.8211 120.1808 58.1262 42.1223 178.6704 65 R 4.0388 8.1158 118.6935 59.6879 29.9859 178.4630 66 K 4.2865 8.0705 118.7921 59.1166 31.9746 178.5973 67 C 3.9716 8.0826 117.5826 63.0699 28.1984 175.6662 68 Y 4.3686 7.9908 118.2882 61.0720 37.2415 178.1352 69 E 4.0584 8.4009 118.9051 59.7040 29.8014 179.4203 70 V 3.9707 7.7298 108.9516 61.5163 31.9303 176.0400 71 G 3.7253 7.9495 106.7432 45.2834 0.0000 174.5127 72 M 4.1278 7.3725 122.7839 57.1790 32.3889 176.8084 *73 M 4.8180 9.0242 125.0175 53.8083 35.6015 173.6006 *74 K 4.2688 9.1346 126.1361 54.6753 31.5972 173.9008 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 1 M 8.30 4.42 0.00 1.99 2.17 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 K 7.82 3.96 0.00 1.75 1.63 0.00 1.58 0.00 0.00 1.71 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.40 7.81 3 E 9.55 4.22 0.00 1.91 1.96 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 2.26 2.32 0.00 4 T 7.28 4.49 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 0.91 0.00 0.00 5 R 7.73 4.27 0.00 1.17 0.99 0.00 2.21 0.00 0.00 2.55 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.50 0.00 6 Y 8.01 5.34 0.00 2.83 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 7 C 9.69 4.52 0.00 3.15 3.07 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 0.00 0.00 0.00 8 A 8.89 4.13 1.36 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 0.00 0.00 9 V 7.92 3.87 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 0.78 0.00 0.00 0.88 0.00 0.00 10 C 7.64 4.82 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 11 N 8.23 4.33 0.00 2.82 2.82 0.00 0.00 6.83 8.22 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 12 D 7.58 4.64 0.00 2.77 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 13 Y 8.23 4.72 0.00 3.02 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 14 A 9.14 4.73 1.57 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 0.00 0.00 15 S 9.62 4.75 0.00 3.97 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 16 G 7.51 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 0.00 0.00 0.00 17 Y 7.99 4.27 0.00 1.52 2.30 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 18 H 7.96 4.56 0.00 3.20 2.95 0.00 5.82 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 Y 8.99 3.28 0.00 3.02 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.89 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 0.00 0.00 0.00 21 V 6.83 4.24 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 0.67 0.00 0.00 0.86 0.00 0.00 22 W 8.88 4.57 0.00 3.44 3.28 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 0.00 23 S 9.13 5.13 0.00 3.92 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 24 C 8.32 4.85 0.00 3.08 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 25 E 8.93 4.10 0.00 2.06 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 2.47 2.37 0.00 26 G 8.24 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 C 8.13 4.23 0.00 3.03 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 28 K 8.09 4.13 0.00 1.89 2.13 0.00 1.04 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.55 1.51 7.81 29 A 8.19 4.04 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.57 3.83 0.00 3.23 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 31 F 8.74 3.96 0.00 3.08 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 32 K 8.31 3.55 0.00 1.95 2.15 0.00 1.93 0.00 0.00 1.79 0.00 0.00 3.03 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.45 1.57 7.81 33 R 8.25 3.93 0.00 1.73 1.84 0.00 3.15 0.00 0.00 3.16 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.79 0.00 34 S 7.43 4.06 0.00 3.50 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 35 I 7.13 3.84 1.61 0.00 0.00 0.40 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 0.32 -0.02 0.00 0.00 36 Q 7.44 4.37 0.00 2.21 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.30 2.24 0.00 37 G 8.37 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 *38 H 8.41 4.21 0.00 2.94 2.89 0.00 7.15 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 N 8.36 4.66 0.00 2.06 1.48 0.00 0.00 6.76 8.06 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 *40 D 8.29 4.76 0.00 2.68 2.47 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.65 5.09 0.00 3.00 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 42 M 8.50 4.90 0.00 1.99 1.98 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 43 C 8.35 4.64 0.00 3.05 2.79 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 0.00 0.00 0.00 44 P 0.00 4.49 0.00 2.21 2.15 0.00 3.74 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 1.96 1.94 0.00 45 A 7.22 4.73 0.97 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 46 T 8.80 4.52 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 47 N 8.64 4.38 0.00 2.92 3.02 0.00 0.00 6.85 7.69 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 48 Q 7.74 4.60 0.00 1.97 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.58 7.05 0.00 0.00 0.00 0.00 0.00 2.26 2.46 0.00 49 C 8.04 4.34 0.00 2.92 2.82 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 50 T 8.19 4.23 4.20 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 1.17 0.00 0.00 51 I 8.16 4.19 1.79 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.37 0.84 0.00 0.00 52 D 7.79 5.52 0.00 2.77 2.71 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 53 K 8.59 3.95 0.00 1.69 1.82 0.00 1.88 0.00 0.00 1.66 0.00 0.00 2.90 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.39 1.44 7.81 54 N 8.66 4.57 0.00 2.67 2.82 0.00 0.00 6.96 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 55 R 8.04 4.37 0.00 1.92 1.88 0.00 3.09 0.00 0.00 3.36 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.82 0.00 56 R 7.41 3.82 0.00 1.76 2.09 0.00 2.98 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.59 0.00 57 K 7.77 4.12 0.00 1.72 1.87 0.00 1.73 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.41 1.49 7.81 58 S 7.53 4.50 0.00 3.93 3.88 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 59 C 7.44 4.61 0.00 2.84 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.38 3.58 0.00 1.64 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.31 2.31 0.00 61 A 7.71 4.06 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 C 7.95 4.17 0.00 2.91 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 63 R 7.52 3.64 0.00 1.58 1.17 0.00 2.21 0.00 0.00 2.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 1.21 0.00 64 L 7.82 4.16 0.00 2.28 2.04 0.93 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 65 R 8.12 4.04 0.00 2.15 2.12 0.00 3.19 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.74 0.00 66 K 8.07 4.29 0.00 1.99 1.74 0.00 1.66 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.47 7.81 67 C 8.08 3.97 0.00 3.12 2.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 Y 7.99 4.37 0.00 3.23 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.40 4.06 0.00 2.06 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 2.40 2.61 0.00 70 V 7.73 3.97 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 0.72 0.00 0.00 1.01 0.00 0.00 71 G 7.95 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 72 M 7.37 4.13 0.00 0.59 0.97 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.23 0.00 *73 M 9.02 4.82 0.00 1.73 1.77 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.35 0.00 *74 K 9.13 4.27 0.00 1.53 1.61 0.00 1.81 0.00 0.00 1.74 0.00 0.00 2.69 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.02 7.81 * Residues marked with a * may have inaccurate shift predictions.