NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 D 4.5809 8.3493 119.5558 53.0576 41.1566 178.6390 4 H 4.3046 9.2245 112.3430 55.4276 29.6228 169.1571 5 V 4.4787 8.4992 119.6938 61.2716 35.6106 174.7872 6 Y 5.1314 8.7681 123.4087 56.0727 41.3939 174.6409 7 K 4.4400 8.2184 123.2503 54.5935 35.1218 174.8740 8 I 4.8297 8.1745 126.4775 59.7488 39.2457 175.2125 9 V 4.4974 8.6730 120.6236 59.5336 34.7201 174.4983 10 E 4.9935 8.6908 124.4395 54.8301 30.8367 174.9662 11 L 4.9475 8.9241 126.3152 53.0826 46.3147 175.3596 12 T 4.9534 8.5198 115.7798 60.4055 69.5764 173.4917 13 G 4.5349 8.8757 116.2249 44.5906 0.0000 172.1803 14 S 5.5396 8.2918 115.6608 56.5841 65.6288 173.1212 15 S 4.8285 8.6735 118.3918 56.9075 65.8088 173.4536 16 P 4.8952 0.0000 0.0000 63.5230 31.6795 176.3894 17 N 4.6787 9.6611 116.6697 52.7503 39.9852 175.5031 18 G 2.8682 7.3470 103.6540 44.3630 0.0000 172.5845 19 I 3.5828 7.2385 119.6508 64.6014 37.1447 178.3329 20 E 3.9621 7.9126 118.8755 59.3622 29.2501 179.1964 21 E 3.9258 8.0195 118.0453 59.2137 29.7022 178.9887 22 A 4.0095 7.9829 121.1698 55.1063 18.3948 180.1225 23 V 3.4738 7.8316 117.7148 64.8351 31.5253 178.2259 24 N 4.1580 8.1126 117.1703 56.2598 38.4032 176.9364 25 N 4.2824 8.3272 117.5030 56.3082 38.6997 177.3496 26 A 3.9505 7.6893 121.5839 55.2214 18.5050 179.6445 27 I 3.6286 7.9114 118.2873 64.0129 37.2443 178.3507 28 A 3.9308 8.4920 122.0557 55.5073 18.0034 180.0109 29 R 3.8624 7.9856 116.0751 59.2041 29.9995 179.2716 30 A 4.1395 7.9791 120.7483 54.9335 18.1523 179.9263 31 G 3.5116 8.0638 103.5813 47.7391 0.0000 175.4651 32 E 4.0606 7.8455 119.7318 59.1536 29.5611 178.3658 33 T 4.2651 7.1772 110.9890 61.7558 68.5502 174.2943 34 L 4.4561 7.7508 119.8750 52.7175 43.8372 175.5149 35 R 4.4835 7.3467 114.8596 55.8840 32.5967 174.2971 36 H 4.1279 8.6420 113.9038 56.8894 25.5206 175.3270 37 L 4.5012 8.0643 118.7369 55.4582 42.3122 176.4972 38 R 4.8603 9.3425 122.1212 57.1183 32.2377 176.0168 39 W 5.5639 7.8064 113.7660 55.1027 32.0894 172.9392 40 F 5.3631 8.4272 114.0769 55.3281 41.0324 173.3394 41 E 4.6642 9.4647 120.2062 54.3024 33.0389 174.5667 42 V 4.3578 8.7423 127.3725 63.1500 31.5853 175.8593 43 V 4.1502 8.6851 128.1151 62.6628 32.7574 175.8922 44 D 4.5291 7.3140 118.0526 53.9656 44.2875 174.7562 45 T 5.1166 8.8323 121.7675 62.0596 71.5127 173.2955 46 R 4.7380 8.9978 124.3339 55.1165 35.4181 173.6767 47 G 4.0975 8.1690 104.9606 44.1284 0.0000 172.1667 48 H 4.9541 8.4821 120.3983 54.3991 32.1179 173.4449 49 I 4.8200 7.8288 125.1837 59.4278 39.3133 174.6697 50 E 4.6095 9.0967 127.5745 55.2628 33.4116 175.2119 51 G 3.7542 8.4798 113.9390 47.2826 0.0000 174.7117 52 G 4.2040 8.6623 108.3306 44.6300 0.0000 172.3000 53 R 4.5892 8.0296 114.6021 53.3851 32.7326 174.5075 54 V 3.9110 8.2831 119.9170 63.1487 31.3461 175.2516 55 N 4.8149 8.6830 124.4548 53.3733 39.7285 174.2472 56 H 5.3043 7.6766 116.6779 53.9121 33.1850 172.2424 57 W 4.6893 9.6941 124.5678 55.9864 30.3820 175.5342 58 Q 4.6356 9.6546 124.3096 54.3170 30.9502 174.3960 59 V 4.6387 8.6227 125.4373 61.4681 33.3671 174.4347 60 T 5.0885 8.8409 123.7674 60.9739 69.3044 173.7416 61 V 5.0044 9.1164 126.6907 60.1564 35.5307 173.7863 62 K 5.0041 9.5478 122.7775 54.8295 34.6027 175.3204 63 V 4.6021 8.8016 124.8896 60.9321 34.4989 174.1712 64 G 3.1905 8.4248 115.5650 43.9482 0.0000 172.3688 65 F 5.6468 8.3574 118.6881 55.2487 41.8592 173.9661 66 T 4.2800 8.8403 118.5736 63.7661 68.9348 173.9089 67 L 4.2278 8.4100 127.0814 54.3586 42.3181 174.4708 68 E 4.2232 9.2034 120.1908 56.9301 32.5605 176.1452 *69 G 3.7113 8.1696 112.6487 44.9850 0.0000 172.3140 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 3 D 8.35 4.58 0.00 2.71 1.93 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 4 H 9.22 4.30 0.00 2.79 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 V 8.50 4.48 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 1.06 0.00 0.00 0.91 0.00 0.00 6 Y 8.77 5.13 0.00 2.93 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 7 K 8.22 4.44 0.00 1.38 0.74 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.22 1.27 7.81 8 I 8.17 4.83 1.86 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.74 0.87 0.00 0.00 9 V 8.67 4.50 2.14 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 0.88 0.00 0.00 1.06 0.00 0.00 10 E 8.69 4.99 0.00 1.98 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.34 0.00 11 L 8.92 4.95 0.00 1.56 1.46 0.87 0.19 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 12 T 8.52 4.95 4.25 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 1.21 0.00 0.00 13 G 8.88 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 5.54 0.00 3.85 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 15 S 8.67 4.83 0.00 3.98 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 16 P 0.00 4.90 0.00 2.27 2.18 0.00 3.46 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.98 0.00 17 N 9.66 4.68 0.00 2.70 2.86 0.00 0.00 6.85 7.67 0.00 0.00 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 G 7.35 2.87 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 19 I 7.24 3.58 1.69 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.42 0.90 0.00 0.00 20 E 7.91 3.96 0.00 1.98 1.95 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 2.37 2.44 0.00 21 E 8.02 3.93 0.00 2.01 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 0.00 2.36 2.39 0.00 22 A 7.98 4.01 1.51 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 0.00 0.00 0.00 0.00 0.00 0.00 23 V 7.83 3.47 1.72 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 0.80 0.00 0.00 0.35 0.00 0.00 24 N 8.11 4.16 0.00 2.95 2.86 0.00 0.00 7.02 6.37 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 25 N 8.33 4.28 0.00 2.89 2.85 0.00 0.00 6.95 7.10 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 26 A 7.69 3.95 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 27 I 7.91 3.63 1.80 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.38 0.85 0.00 0.00 28 A 8.49 3.93 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 29 R 7.99 3.86 0.00 1.96 1.95 0.00 3.26 0.00 0.00 3.14 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.76 0.00 30 A 7.98 4.14 1.28 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 0.00 0.00 31 G 8.06 3.51 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.85 4.06 0.00 2.09 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 2.31 2.43 0.00 33 T 7.18 4.27 4.18 0.00 0.00 0.00 0.00 0.00 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 34 L 7.75 4.46 0.00 1.27 0.86 0.68 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 35 R 7.35 4.48 0.00 1.59 1.73 0.00 3.12 0.00 0.00 3.25 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.85 0.00 36 H 8.64 4.13 0.00 3.62 3.58 0.00 5.82 0.00 0.00 0.00 0.00 6.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.06 4.50 0.00 1.68 1.67 0.89 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 38 R 9.34 4.86 0.00 2.19 2.31 0.00 3.51 0.00 0.00 3.46 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 39 W 7.81 5.56 0.00 3.27 3.19 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 0.00 0.00 0.00 0.00 40 F 8.43 5.36 0.00 3.07 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 41 E 9.46 4.66 0.00 2.11 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 2.26 0.00 42 V 8.74 4.36 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 0.96 0.00 0.00 1.15 0.00 0.00 43 V 8.69 4.15 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 0.78 0.00 0.00 0.96 0.00 0.00 44 D 7.31 4.53 0.00 2.81 2.53 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.83 5.12 4.35 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 1.44 0.00 0.00 46 R 9.00 4.74 0.00 1.71 1.78 0.00 3.29 0.00 0.00 3.17 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.60 0.00 47 G 8.17 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 48 H 8.48 4.95 0.00 3.23 3.29 0.00 5.54 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 I 7.83 4.82 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.60 0.84 0.00 0.00 50 E 9.10 4.61 0.00 2.10 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 2.19 2.26 0.00 51 G 8.48 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 0.00 0.00 0.00 52 G 8.66 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 0.00 0.00 0.00 0.00 53 R 8.03 4.59 0.00 1.91 1.96 0.00 2.78 0.00 0.00 3.09 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.76 0.00 54 V 8.28 3.91 1.80 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 -0.27 0.00 0.00 0.57 0.00 0.00 55 N 8.68 4.81 0.00 2.68 2.96 0.00 0.00 6.28 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 56 H 7.68 5.30 0.00 3.09 3.19 0.00 5.80 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 W 9.69 4.69 0.00 3.38 3.22 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 0.00 58 Q 9.65 4.64 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.78 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 59 V 8.62 4.64 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 1.03 0.00 0.00 1.02 0.00 0.00 60 T 8.84 5.09 4.26 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 1.34 0.00 0.00 61 V 9.12 5.00 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 0.63 0.00 0.00 1.04 0.00 0.00 62 K 9.55 5.00 0.00 1.73 1.75 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.82 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.39 7.81 63 V 8.80 4.60 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 0.95 0.00 0.00 0.91 0.00 0.00 64 G 8.42 3.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 F 8.36 5.65 0.00 3.28 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 66 T 8.84 4.28 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 1.06 0.00 0.00 67 L 8.41 4.23 0.00 1.55 1.58 0.87 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 68 E 9.20 4.22 0.00 2.01 1.80 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 2.10 2.32 0.00 *69 G 8.17 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 * Residues marked with a * may have inaccurate shift predictions.