NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 L 4.2736 8.0385 120.6269 54.5728 44.1841 178.5396 5 A 3.9017 8.0364 120.9164 54.6842 18.1601 178.0199 6 G 3.5213 8.8138 105.1377 47.8450 0.0000 174.3492 7 I 3.7280 7.6405 121.6689 64.2412 37.3345 178.5219 8 V 3.6115 8.1055 119.4849 65.9905 31.3375 177.8608 9 Q 3.9701 8.3885 119.6547 59.1593 28.8470 177.9777 10 Q 4.0059 8.2343 120.7383 59.1811 28.9826 178.2073 11 Q 3.9931 8.0967 119.3415 58.7958 28.6077 178.3892 12 Q 3.9471 7.9824 120.6163 59.2744 29.1068 178.3263 13 Q 3.9901 8.1255 119.1328 58.9179 28.6319 178.7448 14 L 4.0260 8.1748 120.2325 57.5357 41.6044 179.2406 15 L 3.9395 8.1874 120.5827 58.2744 41.9718 178.8092 16 D 4.3551 8.4426 119.1743 57.1957 40.6188 178.7839 17 L 3.9588 7.9653 119.5671 57.9057 41.7025 179.7913 18 V 3.5901 8.0976 118.4103 66.0792 31.3897 178.2818 19 T 3.8591 8.0943 115.7983 66.6129 68.3313 176.6850 20 R 4.0587 8.1978 120.7649 59.5738 30.0557 178.6039 21 Q 4.0534 8.4661 118.2418 58.8094 28.5629 178.4684 22 Q 4.0093 8.1386 120.8700 59.0400 28.9421 177.9958 23 E 3.9558 8.0915 119.7980 59.3128 29.5059 179.1171 24 L 3.9961 8.0205 120.3980 58.0268 42.0718 178.9440 25 L 4.1313 8.2852 120.7915 57.3699 41.5741 179.6197 26 R 3.9746 8.4116 118.3617 59.3730 29.8949 179.1658 27 L 4.1455 7.8024 118.8824 57.9042 41.4429 179.6116 28 T 4.0252 8.2454 109.9763 64.7378 68.6836 176.9487 29 V 3.9655 8.3170 121.4292 65.5545 31.5337 177.7585 30 W 4.2463 8.6557 128.3705 60.4746 30.5639 178.1532 31 G 3.7382 8.8525 105.9019 47.9948 0.0000 175.7853 32 I 3.7108 8.0925 122.4062 63.9938 36.8227 178.7101 33 K 3.7694 8.2819 119.5097 59.3798 31.6135 178.9628 34 N 3.9166 7.5752 116.5705 56.3418 38.7825 176.6757 35 L 3.9935 7.4708 119.7436 57.4250 41.8120 178.7495 36 Q 3.5559 7.7158 119.3788 57.6562 29.1155 176.3239 37 T 4.4313 6.5635 107.3283 59.6249 72.5398 174.3486 *45 G 3.9243 8.3363 109.9781 46.2103 0.0000 173.8259 46 G 4.0149 8.3423 114.1310 45.4541 0.0000 175.4633 47 W 4.2019 8.0802 122.7623 59.1180 29.1142 178.1362 48 Q 4.1049 8.2937 119.4219 59.5051 28.6203 178.1834 49 E 4.1030 8.2508 118.9679 58.7116 29.5080 178.8527 50 W 4.0844 8.1214 128.4303 60.3534 30.6889 177.8401 51 K 3.9644 8.8191 119.7340 59.7370 31.7700 178.8489 52 R 3.9399 7.9664 117.8456 59.2740 29.9498 179.2960 53 K 4.0161 8.0657 118.2636 59.3602 31.9788 179.6409 54 V 3.3276 7.5809 118.6628 65.9075 31.3114 177.7952 55 D 4.3020 8.2670 118.9123 57.2280 40.5773 178.5382 56 F 4.1652 8.1273 120.8538 61.3431 39.4060 177.1639 57 L 3.6082 8.0301 118.5521 57.6818 41.3819 179.3450 58 E 3.8778 8.2656 118.7064 59.3309 29.3900 179.1099 59 E 3.8227 8.0141 119.2523 59.2507 29.7404 178.3578 60 N 4.0848 7.9635 117.4235 56.6441 38.8245 176.9527 61 I 3.6573 7.9695 121.6536 64.5478 37.2890 178.4707 62 T 3.7935 7.8579 116.4309 66.5768 68.2756 176.4919 63 A 3.9799 7.9162 122.5904 55.2172 18.3329 179.7388 64 L 3.9718 8.0239 117.4834 57.7759 41.5713 179.7828 65 L 3.9720 8.2071 119.3618 57.7085 41.5580 179.3305 66 E 3.9463 8.0384 118.0935 59.5389 29.3809 179.3072 67 E 3.9727 8.2567 118.3651 59.3514 29.4388 179.3289 68 A 4.0004 8.3559 121.1635 55.1213 18.4048 179.7455 69 Q 3.9341 8.3006 116.8098 59.1192 28.7865 179.0036 70 I 3.7063 7.8300 120.8594 64.4600 37.0854 178.3139 71 Q 3.9871 8.3065 120.5248 59.0222 28.7527 178.0116 72 Q 3.9480 8.3115 120.8567 59.2542 29.0369 178.1505 73 E 3.9885 8.2425 119.5691 59.3550 29.4271 179.5294 74 K 4.0698 8.2223 118.5088 59.5910 32.1519 179.1732 75 N 4.3548 8.4582 116.9657 56.5586 38.4646 177.2000 76 M 4.0672 8.4002 119.8594 58.5142 32.2819 177.6263 77 Y 4.0266 8.4025 120.1331 60.8431 38.8433 177.7451 78 E 3.5876 8.1959 118.7891 58.8394 29.6984 178.3808 79 L 4.0212 7.5818 119.6807 58.3422 42.3429 178.6991 80 Q 4.0675 8.2694 116.8732 58.5644 28.6911 176.8987 81 K 4.1003 7.9270 124.6374 56.6064 32.3220 176.2275 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 4 L 8.04 4.27 0.00 1.71 1.78 0.91 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 5 A 8.04 3.90 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 6 G 8.81 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.64 3.73 2.01 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 0.66 0.91 0.00 0.00 8 V 8.11 3.61 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 1.00 0.00 0.00 0.98 0.00 0.00 9 Q 8.39 3.97 0.00 2.25 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.41 0.00 10 Q 8.23 4.01 0.00 2.30 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.44 0.00 11 Q 8.10 3.99 0.00 2.31 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.62 0.00 12 Q 7.98 3.95 0.00 2.20 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.56 0.00 13 Q 8.13 3.99 0.00 2.43 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 14 L 8.17 4.03 0.00 1.82 1.71 0.92 0.34 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 15 L 8.19 3.94 0.00 1.83 1.83 0.91 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 16 D 8.44 4.36 0.00 2.96 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 17 L 7.97 3.96 0.00 1.88 1.71 0.92 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 18 V 8.10 3.59 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 1.02 0.00 0.00 0.98 0.00 0.00 19 T 8.09 3.86 4.38 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 1.20 0.00 0.00 20 R 8.20 4.06 0.00 2.11 1.92 0.00 3.37 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 1.62 1.71 0.00 21 Q 8.47 4.05 0.00 2.30 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.58 0.00 0.00 0.00 0.00 0.00 2.38 2.51 0.00 22 Q 8.14 4.01 0.00 2.27 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 23 E 8.09 3.96 0.00 2.26 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 2.32 2.53 0.00 24 L 8.02 4.00 0.00 1.78 1.84 0.94 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 25 L 8.29 4.13 0.00 1.93 1.72 0.98 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 26 R 8.41 3.97 0.00 2.03 2.02 0.00 3.12 0.00 0.00 3.17 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.86 0.00 27 L 7.80 4.15 0.00 1.86 1.74 0.88 0.88 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 28 T 8.25 4.03 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 1.35 0.00 0.00 29 V 8.32 3.97 2.37 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 1.19 0.00 0.00 1.07 0.00 0.00 30 W 8.66 4.25 0.00 3.59 3.43 0.00 0.00 0.00 0.00 0.00 0.00 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 8.85 3.74 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 0.00 0.00 0.00 32 I 8.09 3.71 2.23 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.89 0.71 0.00 0.00 33 K 8.28 3.77 0.00 1.82 1.74 0.00 1.79 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.71 1.92 7.81 34 N 7.58 3.92 0.00 1.52 2.33 0.00 0.00 7.29 7.41 0.00 0.00 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 L 7.47 3.99 0.00 1.62 1.56 0.89 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 36 Q 7.72 3.56 0.00 1.15 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.67 0.00 0.00 0.00 0.00 0.00 1.16 1.16 0.00 37 T 6.56 4.43 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 1.01 0.00 0.00 *45 G 8.34 3.92 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 0.00 0.00 0.00 46 G 8.34 4.01 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 0.00 0.00 0.00 47 W 8.08 4.20 0.00 3.43 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 48 Q 8.29 4.10 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.92 0.00 0.00 0.00 0.00 0.00 2.43 2.03 0.00 49 E 8.25 4.10 0.00 2.06 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 2.43 2.32 0.00 50 W 8.12 4.08 0.00 3.32 3.45 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 51 K 8.82 3.96 0.00 2.31 2.16 0.00 1.81 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.44 1.36 7.81 52 R 7.97 3.94 0.00 2.10 1.97 0.00 3.52 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.94 0.00 53 K 8.07 4.02 0.00 1.78 1.79 0.00 1.63 0.00 0.00 1.54 0.00 0.00 2.88 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.64 7.81 54 V 7.58 3.33 1.49 0.00 0.00 0.00 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 -0.51 0.00 0.00 55 D 8.27 4.30 0.00 2.97 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 56 F 8.13 4.17 0.00 3.12 3.21 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.03 3.61 0.00 1.77 1.60 0.89 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 58 E 8.27 3.88 0.00 2.14 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 2.30 2.35 0.00 59 E 8.01 3.82 0.00 2.10 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 2.30 2.19 0.00 60 N 7.96 4.08 0.00 1.95 2.35 0.00 0.00 7.28 7.78 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 61 I 7.97 3.66 1.84 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.49 0.94 0.00 0.00 62 T 7.86 3.79 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 1.18 0.00 0.00 63 A 7.92 3.98 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 64 L 8.02 3.97 0.00 1.85 1.70 0.92 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 65 L 8.21 3.97 0.00 1.82 1.70 0.90 1.18 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 66 E 8.04 3.95 0.00 2.22 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 0.00 2.31 2.55 0.00 67 E 8.26 3.97 0.00 2.16 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 2.32 2.52 0.00 68 A 8.36 4.00 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 69 Q 8.30 3.93 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.59 0.00 70 I 7.83 3.71 2.02 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 1.40 1.01 0.90 0.00 0.00 71 Q 8.31 3.99 0.00 2.24 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.42 0.00 72 Q 8.31 3.95 0.00 2.31 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.58 0.00 0.00 0.00 0.00 0.00 2.54 2.46 0.00 73 E 8.24 3.99 0.00 2.34 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 2.33 2.22 0.00 74 K 8.22 4.07 0.00 2.00 1.92 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.66 7.81 75 N 8.46 4.35 0.00 2.95 2.88 0.00 0.00 6.69 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 76 M 8.40 4.07 0.00 2.28 2.14 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.61 0.00 77 Y 8.40 4.03 0.00 3.10 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 E 8.20 3.59 0.00 2.14 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 2.26 2.27 0.00 79 L 7.58 4.02 0.00 1.75 1.85 0.90 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 80 Q 8.27 4.07 0.00 1.95 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.75 0.00 0.00 0.00 0.00 0.00 2.59 2.51 0.00 81 K 7.93 4.10 0.00 1.33 1.21 0.00 1.95 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.45 1.32 7.81 * Residues marked with a * may have inaccurate shift predictions.