NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 N 4.7321 8.3829 117.7895 51.8832 38.6710 175.1390 4 R 3.9848 7.9883 126.2158 60.8805 29.8603 178.1280 5 I 3.9897 7.8556 118.9508 65.3804 36.1354 181.7107 6 E 4.2687 8.0839 120.6699 58.8821 29.4744 178.7384 7 L 4.0352 7.8980 121.3054 58.6569 41.7763 180.2708 8 S 4.1380 7.8595 118.3167 63.1331 62.0101 178.4293 9 R 4.0572 7.6066 119.9639 59.6699 29.8535 178.6418 10 L 3.9810 7.7573 118.3564 57.8077 41.5095 179.6077 11 I 3.7819 8.1770 120.2104 64.2347 36.9922 178.5632 12 G 3.7291 8.1518 106.4642 48.0168 0.0000 175.6077 13 L 4.0194 8.0811 121.9824 57.1614 41.3469 179.5834 14 L 3.8933 7.8900 119.6127 58.2992 42.2458 178.7133 15 L 4.1791 8.6742 120.8477 58.3672 41.8432 179.6555 16 E 4.2825 8.7801 121.1122 61.5713 29.6335 182.2688 17 T 4.3490 8.0013 115.9441 65.4313 68.4271 178.6040 18 E 4.8121 7.4210 119.1282 57.4186 31.2487 182.0421 *35 D 4.8684 8.5492 123.3215 54.4697 41.3383 181.6389 36 K 4.2110 9.4325 127.0824 61.3908 32.2943 180.4069 37 V 3.8856 7.9371 122.9403 67.0265 31.4770 180.9804 38 T 4.1260 7.9401 114.8177 65.7452 68.3104 177.8723 39 L 4.2361 7.7600 123.7255 58.8717 42.1410 179.9258 40 S 4.2649 8.2237 121.0647 63.8114 62.2066 179.2736 41 K 4.3064 7.9105 126.0381 59.7372 31.5079 182.3489 42 I 3.9479 7.6127 119.7310 64.2539 36.9518 178.4188 43 A 3.9964 7.9512 121.5237 55.2853 17.8117 179.7362 44 Q 4.0077 8.1471 116.6411 59.0576 28.5195 178.6594 45 E 4.0289 7.9732 119.5328 58.9932 29.7421 178.3460 46 L 4.2277 7.7147 118.0118 57.1029 41.9509 178.7959 47 S 4.4614 8.5156 115.4807 60.7641 63.1486 175.9458 48 K 4.5995 7.4453 127.7174 56.3618 29.4196 178.8666 49 N 4.8560 8.0157 122.7517 51.0219 40.5273 174.8267 50 D 5.0316 8.7234 128.0919 55.0372 41.3208 175.2303 51 V 4.0892 7.8457 119.9923 66.4006 31.7396 183.6482 52 E 4.4707 8.1706 119.0448 62.3542 29.4352 184.7865 53 E 4.3913 7.9653 120.9124 61.2630 29.3902 182.2145 54 K 4.2599 7.9328 122.6263 60.1581 31.6346 182.6782 55 D 4.7493 7.9701 120.4516 56.5161 40.6754 179.4227 56 L 4.1515 7.8576 125.7691 60.0782 41.1113 184.9377 57 E 4.3212 7.9710 121.3710 61.2292 29.4763 181.9147 58 K 4.2427 7.7731 122.8608 59.8848 31.8727 182.8345 59 K 3.9842 7.6904 119.5908 59.5579 32.0632 178.8155 60 V 3.6223 7.8946 120.6440 66.5830 31.4258 178.8784 61 K 4.0106 7.8257 124.3266 60.3366 31.6129 181.4439 62 E 4.1548 8.0563 119.9658 60.9058 29.6093 180.7055 63 L 4.0162 8.1599 120.7315 57.7340 41.6865 179.8979 64 K 3.9001 8.0751 121.4226 59.8633 31.9939 179.3628 65 E 4.0516 8.0682 120.9672 61.5441 29.6596 183.7463 66 K 4.3064 8.2165 124.9417 59.4974 31.6575 181.4072 67 I 4.0307 8.0864 123.1272 65.1846 36.8984 179.1131 68 E 4.0779 8.4088 120.3844 61.0911 29.5864 180.6948 69 K 4.5985 7.9874 120.5994 55.8587 32.3844 180.3176 70 G 4.2234 8.2013 106.5980 48.4090 0.0000 174.2283 71 E 4.6149 9.0737 115.0795 55.6060 30.5655 175.5095 72 Y 4.5479 8.0965 120.5087 55.6356 40.0341 174.4990 73 E 4.2907 8.0935 125.6289 54.8019 31.2387 175.5172 74 V 4.1744 8.1265 122.0216 61.2186 33.0703 175.4597 75 S 4.7223 8.0938 121.0855 55.7792 67.4058 174.3871 76 D 4.4018 8.7421 123.0930 57.7122 40.5264 179.1741 77 E 3.9511 8.0833 118.4117 59.5219 29.5483 179.4396 78 K 3.9963 7.7175 118.0275 59.2613 31.9770 179.6045 79 V 3.5838 7.8121 118.6375 66.0028 31.3836 178.2436 80 V 3.6646 8.1063 120.4166 66.6694 31.3157 178.7697 81 K 4.1282 8.3349 123.6067 59.5683 31.4894 181.1247 82 G 3.8202 8.3478 106.8070 47.8117 0.0000 175.8490 83 L 4.3115 8.2495 122.3766 57.6068 41.7672 179.8224 84 I 3.9237 8.3208 122.4047 65.1087 36.8299 179.0641 85 E 4.0829 8.3811 118.4690 60.7765 29.5564 180.7699 86 F 4.3523 8.0935 120.1131 61.4916 39.7211 177.3395 87 F 4.3676 8.4143 115.4181 59.2439 38.8578 175.6630 88 T 4.2216 7.7987 113.4677 61.7103 68.7925 173.5404 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 N 8.38 4.73 0.00 2.67 2.81 0.00 0.00 6.88 6.77 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 4 R 7.99 3.98 0.00 1.89 1.98 0.00 3.22 0.00 0.00 3.36 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.32 0.00 5 I 7.86 3.99 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.54 0.91 0.00 0.00 6 E 8.08 4.27 0.00 2.07 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 2.37 2.45 0.00 7 L 7.90 4.04 0.00 1.75 1.70 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 8 S 7.86 4.14 0.00 3.69 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 9 R 7.61 4.06 0.00 2.08 2.10 0.00 3.06 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.67 0.00 10 L 7.76 3.98 0.00 1.88 1.70 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 11 I 8.18 3.78 2.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.07 0.91 0.00 0.00 12 G 8.15 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 13 L 8.08 4.02 0.00 1.88 1.73 0.92 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 14 L 7.89 3.89 0.00 1.73 1.86 0.92 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 15 L 8.67 4.18 0.00 1.80 1.72 0.92 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.78 4.28 0.00 1.95 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 2.23 2.19 0.00 17 T 8.00 4.35 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 18 E 7.42 4.81 0.00 2.18 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 2.17 2.16 0.00 *35 D 8.55 4.87 0.00 2.62 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 0.00 0.00 0.00 36 K 9.43 4.21 0.00 1.75 1.84 0.00 1.78 0.00 0.00 1.85 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.44 1.07 7.81 37 V 7.94 3.89 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 0.75 0.00 0.00 0.93 0.00 0.00 38 T 7.94 4.13 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 39 L 7.76 4.24 0.00 1.98 1.86 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 40 S 8.22 4.26 0.00 3.81 3.86 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 0.00 0.00 0.00 41 K 7.91 4.31 0.00 1.78 1.84 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.37 1.35 7.81 42 I 7.61 3.95 2.02 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.01 0.91 0.00 0.00 43 A 7.95 4.00 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 44 Q 8.15 4.01 0.00 2.22 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.76 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 45 E 7.97 4.03 0.00 2.05 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 2.32 2.39 0.00 46 L 7.71 4.23 0.00 1.76 1.70 0.95 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.52 4.46 0.00 3.95 4.04 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 48 K 7.45 4.60 0.00 1.94 1.63 0.00 1.89 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.39 1.33 7.81 49 N 8.02 4.86 0.00 2.69 2.59 0.00 0.00 6.68 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 50 D 8.72 5.03 0.00 2.65 2.65 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 4.09 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 0.94 0.00 0.00 0.93 0.00 0.00 52 E 8.17 4.47 0.00 1.97 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 2.31 1.93 0.00 53 E 7.97 4.39 0.00 2.10 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 2.24 2.20 0.00 54 K 7.93 4.26 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.82 0.00 0.00 2.88 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.09 7.81 55 D 7.97 4.75 0.00 2.85 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 56 L 7.86 4.15 0.00 1.65 1.66 0.92 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 57 E 7.97 4.32 0.00 1.98 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 2.25 2.20 0.00 58 K 7.77 4.24 0.00 1.75 1.84 0.00 1.80 0.00 0.00 1.57 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.31 7.81 59 K 7.69 3.98 0.00 2.02 1.84 0.00 1.62 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.47 7.81 60 V 7.89 3.62 2.20 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 0.89 0.00 0.00 0.93 0.00 0.00 61 K 7.83 4.01 0.00 1.85 1.80 0.00 1.87 0.00 0.00 1.68 0.00 0.00 2.93 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.37 1.32 7.81 62 E 8.06 4.15 0.00 1.99 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 2.25 2.23 0.00 63 L 8.16 4.02 0.00 1.80 1.57 0.86 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 64 K 8.08 3.90 0.00 1.87 1.76 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.40 7.81 65 E 8.07 4.05 0.00 2.04 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 2.24 2.19 0.00 66 K 8.22 4.31 0.00 1.76 1.85 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.86 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.37 1.35 7.81 67 I 8.09 4.03 1.97 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.19 0.89 0.00 0.00 68 E 8.41 4.08 0.00 2.05 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 2.26 2.20 0.00 69 K 7.99 4.60 0.00 1.87 1.72 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.96 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.35 1.32 7.81 70 G 8.20 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 0.00 0.00 0.00 0.00 71 E 9.07 4.61 0.00 1.93 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 2.24 2.42 0.00 72 Y 8.10 4.55 0.00 2.87 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 73 E 8.09 4.29 0.00 1.99 1.81 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 2.05 2.01 0.00 74 V 8.13 4.17 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 0.88 0.00 0.00 1.02 0.00 0.00 75 S 8.09 4.72 0.00 4.16 3.82 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 76 D 8.74 4.40 0.00 2.78 2.77 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 77 E 8.08 3.95 0.00 2.03 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 2.39 2.46 0.00 78 K 7.72 4.00 0.00 1.89 1.85 0.00 1.52 0.00 0.00 1.50 0.00 0.00 2.79 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.39 7.81 79 V 7.81 3.58 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 1.10 0.00 0.00 1.01 0.00 0.00 80 V 8.11 3.66 2.29 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 1.03 0.00 0.00 1.00 0.00 0.00 81 K 8.33 4.13 0.00 1.81 1.81 0.00 1.87 0.00 0.00 1.65 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.37 1.33 7.81 82 G 8.35 3.82 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 0.00 0.00 0.00 83 L 8.25 4.31 0.00 1.81 1.95 1.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 84 I 8.32 3.92 2.02 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.21 0.96 0.00 0.00 85 E 8.38 4.08 0.00 2.06 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 2.26 2.19 0.00 86 F 8.09 4.35 0.00 2.94 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 87 F 8.41 4.37 0.00 3.23 3.11 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 0.00 0.00 0.00 88 T 7.80 4.22 4.27 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 1.28 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.