NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 8 E 4.2115 8.3027 121.4653 55.4532 30.6571 174.7254 9 R 3.7677 8.4939 126.7150 57.8023 30.4296 174.8090 10 G 3.9034 9.4382 114.1143 44.8223 0.0000 171.4151 11 E 4.6263 7.9262 120.5644 54.3347 30.9379 175.4261 12 V 3.8337 8.5127 127.3086 64.9590 32.3396 175.4981 13 Y 4.7932 7.3801 119.0375 56.3352 42.3707 173.8848 14 S 4.8269 7.6283 119.8884 57.3420 65.6907 172.9180 15 E 4.6420 8.8692 125.5856 54.6257 33.8072 174.7863 16 K 4.9824 8.0867 123.4164 53.5866 35.3288 174.7974 *18 F 4.4502 8.4813 117.1960 57.7698 39.8137 173.9485 19 T 4.8468 8.1273 111.5154 59.9259 71.7783 173.6360 20 E 4.1824 8.7908 119.3457 57.3163 29.6454 177.0563 21 S 4.6890 7.5848 114.4716 56.5826 65.2704 173.6806 22 E 4.3377 8.5734 115.6942 57.3191 30.2991 175.9716 23 R 4.8419 7.7712 120.1970 55.1977 31.7476 175.8897 24 T 4.4236 8.4532 120.1063 61.7454 71.9823 172.6963 25 Y 5.2103 8.0542 121.2949 56.5808 42.0443 174.9375 26 F 5.6382 8.7505 119.3299 55.0204 43.6782 173.3030 *28 N 5.0589 8.5466 114.7430 53.9015 40.4180 173.7633 29 V 4.6235 8.7670 122.4354 61.0908 34.0886 174.7114 30 K 4.7363 8.3352 126.6642 54.2910 35.8131 174.4500 31 E 5.2986 8.6498 122.1738 54.6721 32.8878 175.7171 32 N 4.9970 9.1764 124.5780 51.3685 39.6548 175.4775 33 R 3.9223 8.6265 117.4037 59.6493 29.9445 177.5323 34 K 4.1235 8.1348 114.3911 57.0959 32.3917 177.6952 35 G 4.0938 8.2653 107.6625 44.4768 0.0000 173.6080 36 D 4.7860 8.3652 120.1965 54.6691 41.9707 175.2338 37 Y 5.4769 9.5678 120.3335 57.2899 39.6133 174.9603 38 F 5.0802 9.0309 116.6138 55.4176 42.2564 172.7648 39 L 4.9290 8.9053 122.4971 53.7265 43.9960 174.6681 40 N 5.2498 9.0535 124.3003 51.8708 41.6070 173.2023 41 I 4.7285 8.4467 127.0159 59.5198 40.0995 174.8205 42 V 4.8982 9.0680 126.4091 61.0060 35.0345 173.5187 43 E 4.9249 9.4188 128.6091 54.4488 32.2486 174.1703 44 S 5.1129 9.1850 122.6019 56.5606 64.6728 172.3266 45 K 4.9805 9.2596 129.5672 54.4408 34.4198 174.8534 46 R 4.1416 8.7274 129.4310 55.7570 30.4924 176.5670 47 S 4.3808 9.1335 121.8564 57.0368 64.2297 173.2826 48 P 4.1279 0.0000 0.0000 66.0200 30.9460 178.1727 49 S 4.0084 7.9438 110.0011 59.8949 62.2093 174.7638 50 G 3.8540 7.9843 107.4465 45.1812 0.0000 173.3875 51 D 4.6488 7.5572 119.6066 53.8190 42.5709 175.4155 52 F 5.0581 8.7183 120.4373 56.0031 40.7130 175.1687 53 E 4.4650 9.2789 124.6996 55.5058 31.1239 175.5459 54 R 5.0272 8.3821 123.0421 54.8385 33.0347 174.1873 55 H 5.0143 9.3127 122.7146 54.0775 32.5928 172.4610 56 S 4.9678 8.7071 116.7943 56.6434 65.3906 172.8268 57 I 4.5899 8.6460 127.4277 59.4236 40.4212 174.4010 58 F 5.2808 8.7123 123.6971 55.6489 41.9550 174.8835 59 V 4.1881 8.3209 121.7850 61.3328 34.6111 174.3754 60 Y 4.8050 8.3948 124.5720 56.4827 40.0157 176.3058 61 E 4.0323 9.3593 120.9808 59.8775 29.5583 179.1225 62 E 4.1689 8.3044 114.0486 58.2130 30.2307 176.8969 63 N 4.8438 8.1313 118.8326 51.5327 38.2495 174.3348 *65 N 4.6775 8.0347 118.8006 53.1319 41.3416 176.8714 66 E 3.9820 8.1290 117.8691 59.0512 29.6264 178.4440 67 F 4.1097 8.6179 121.1152 61.0930 39.4166 176.6113 68 E 3.8714 8.3536 118.4777 59.4030 29.5242 178.4009 69 S 4.0478 8.1118 112.9901 61.7378 62.5187 176.0312 70 N 4.3117 8.1734 118.9619 55.8643 38.1803 177.3125 71 L 3.6614 7.7912 122.0794 58.1470 42.1398 179.0401 72 L 3.9313 8.0746 119.2779 57.5691 41.4692 179.5087 73 K 3.8670 8.1339 119.4278 59.4072 31.9675 178.8208 74 A 3.9738 7.8602 120.8988 55.1986 18.2054 179.6893 75 I 3.6123 7.9217 118.2023 64.4036 37.1476 178.5111 76 A 3.9484 8.2626 121.8951 54.9420 17.9099 179.7206 77 V 3.5303 7.3711 115.6842 66.3766 31.7799 178.1099 78 I 3.8687 7.4061 119.3642 64.2134 37.0489 178.4523 79 K 3.9360 8.3437 119.9862 59.5238 31.7160 179.1111 80 Q 4.2479 8.0788 115.9796 57.9258 28.8730 177.2887 81 K 4.4128 7.4148 118.4845 56.1742 32.4410 176.8023 82 V 3.9986 7.2553 117.5813 61.4472 31.8338 175.5007 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 8 E 8.30 4.21 0.00 1.99 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 2.25 2.29 0.00 9 R 8.49 3.77 0.00 1.89 1.85 0.00 3.28 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.70 0.00 10 G 9.44 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 0.00 0.00 0.00 11 E 7.93 4.63 0.00 1.83 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 2.13 2.11 0.00 12 V 8.51 3.83 1.78 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 0.60 0.00 0.00 0.11 0.00 0.00 13 Y 7.38 4.79 0.00 3.02 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.63 4.83 0.00 3.90 3.57 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 15 E 8.87 4.64 0.00 1.94 1.75 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 1.66 2.23 0.00 16 K 8.09 4.98 0.00 1.54 1.52 0.00 1.54 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.25 0.00 0.00 0.00 0.00 0.52 0.21 7.81 *18 F 8.48 4.45 0.00 3.06 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 19 T 8.13 4.85 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 20 E 8.79 4.18 0.00 2.01 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 0.00 2.32 2.32 0.00 21 S 7.58 4.69 0.00 4.03 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 22 E 8.57 4.34 0.00 2.10 2.22 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 2.35 2.40 0.00 23 R 7.77 4.84 0.00 1.67 1.44 0.00 3.22 0.00 0.00 3.45 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.58 0.00 24 T 8.45 4.42 4.03 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 0.45 0.00 0.00 25 Y 8.05 5.21 0.00 2.78 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 26 F 8.75 5.64 0.00 2.87 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 *28 N 8.55 5.06 0.00 2.67 2.73 0.00 0.00 6.29 7.68 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 29 V 8.77 4.62 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 0.69 0.00 0.00 0.78 0.00 0.00 30 K 8.34 4.74 0.00 0.79 1.06 0.00 1.66 0.00 0.00 1.59 0.00 0.00 2.76 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.14 1.07 7.81 31 E 8.65 5.30 0.00 1.86 1.73 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 2.32 2.63 0.00 32 N 9.18 5.00 0.00 3.05 3.15 0.00 0.00 6.28 7.20 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 33 R 8.63 3.92 0.00 1.81 2.03 0.00 3.23 0.00 0.00 3.22 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 34 K 8.13 4.12 0.00 1.97 1.86 0.00 1.78 0.00 0.00 1.69 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.44 1.44 7.81 35 G 8.27 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 0.00 0.00 0.00 36 D 8.37 4.79 0.00 2.90 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 37 Y 9.57 5.48 0.00 2.74 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 38 F 9.03 5.08 0.00 2.93 3.09 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 39 L 8.91 4.93 0.00 1.69 1.52 0.94 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 40 N 9.05 5.25 0.00 2.74 2.58 0.00 0.00 7.05 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 41 I 8.45 4.73 1.88 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.63 0.98 0.00 0.00 42 V 9.07 4.90 2.24 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 1.01 0.00 0.00 0.87 0.00 0.00 43 E 9.42 4.92 0.00 2.24 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 2.11 1.88 0.00 44 S 9.19 5.11 0.00 4.00 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 45 K 9.26 4.98 0.00 1.96 1.67 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.78 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.33 7.81 46 R 8.73 4.14 0.00 1.79 1.70 0.00 3.29 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.50 0.00 47 S 9.13 4.38 0.00 3.95 4.14 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 48 P 0.00 4.13 0.00 2.02 2.15 0.00 3.65 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.07 0.00 49 S 7.94 4.01 0.00 3.79 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 G 7.98 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 D 7.56 4.65 0.00 2.57 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 52 F 8.72 5.06 0.00 2.90 2.98 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 0.00 0.00 0.00 53 E 9.28 4.46 0.00 1.97 1.82 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 2.32 2.29 0.00 54 R 8.38 5.03 0.00 1.74 1.71 0.00 3.09 0.00 0.00 3.16 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.57 0.00 55 H 9.31 5.01 0.00 3.09 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.71 4.97 0.00 3.72 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 I 8.65 4.59 1.82 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.56 0.86 0.00 0.00 58 F 8.71 5.28 0.00 2.86 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 59 V 8.32 4.19 1.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 -0.20 0.00 0.00 60 Y 8.39 4.81 0.00 3.00 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 61 E 9.36 4.03 0.00 2.07 2.11 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 2.40 2.76 0.00 62 E 8.30 4.17 0.00 2.11 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 0.00 2.34 2.31 0.00 63 N 8.13 4.84 0.00 2.86 2.87 0.00 0.00 6.80 6.54 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 *65 N 8.03 4.68 0.00 2.81 2.93 0.00 0.00 6.63 7.66 0.00 0.00 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 E 8.13 3.98 0.00 2.08 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 2.42 2.39 0.00 67 F 8.62 4.11 0.00 3.28 3.10 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 68 E 8.35 3.87 0.00 2.16 2.13 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 2.37 2.39 0.00 69 S 8.11 4.05 0.00 4.00 3.96 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 70 N 8.17 4.31 0.00 2.72 2.73 0.00 0.00 6.72 6.15 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 71 L 7.79 3.66 0.00 1.12 1.57 0.75 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 72 L 8.07 3.93 0.00 1.79 1.66 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.13 3.87 0.00 1.91 1.89 0.00 1.61 0.00 0.00 1.62 0.00 0.00 2.94 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.41 1.43 7.81 74 A 7.86 3.97 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 75 I 7.92 3.61 1.94 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.75 0.87 0.00 0.00 76 A 8.26 3.95 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 V 7.37 3.53 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 0.85 0.00 0.00 0.91 0.00 0.00 78 I 7.41 3.87 1.99 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.18 0.90 0.00 0.00 79 K 8.34 3.94 0.00 1.95 1.85 0.00 1.64 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.54 7.81 80 Q 8.08 4.25 0.00 2.21 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.97 0.00 0.00 0.00 0.00 0.00 2.58 2.39 0.00 81 K 7.41 4.41 0.00 1.76 1.86 0.00 1.67 0.00 0.00 1.70 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 82 V 7.26 4.00 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 0.73 0.00 0.00 1.02 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.