NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 58 V 3.9329 8.0544 114.0541 61.1806 33.1061 175.1448 59 N 4.4431 8.3937 122.5289 51.5887 39.5690 172.2597 60 E 3.8990 8.8139 129.8667 59.2668 30.3524 177.8739 61 S 4.0939 8.0644 112.7737 61.3914 62.5187 175.8109 62 L 3.9879 8.1764 123.0345 57.8080 41.5927 178.6165 63 K 3.8911 8.4027 119.0942 59.6227 32.5658 178.5188 64 K 4.1312 8.1993 118.5679 59.3597 31.9678 179.0125 65 F 4.1577 8.2601 120.8618 61.5055 39.1527 177.2522 66 L 4.1012 8.4413 117.1000 56.9319 41.3668 177.8509 67 N 4.7139 7.6048 115.5368 52.7411 39.4174 174.1850 68 T 4.5396 6.7157 108.9370 59.6097 71.6616 175.2092 69 K 3.8148 8.5465 123.8091 60.1371 32.1862 178.9950 70 D 4.4403 7.9944 118.6546 57.0210 40.6833 178.8552 71 G 2.7912 7.5489 107.7258 46.8086 0.0000 175.7219 72 R 3.8588 7.7812 121.3260 58.9814 29.9865 178.5760 73 L 3.9683 7.7081 118.3221 57.7045 41.6440 179.5891 74 V 3.6171 8.0779 118.1563 66.1520 31.4765 177.9464 75 A 4.2546 8.4341 120.6380 55.4150 18.1418 179.8046 76 S 4.1601 8.4504 113.8481 61.6882 62.8917 176.9093 77 L 4.0182 8.3090 122.0496 57.6096 41.3503 179.7099 78 V 3.5445 8.0400 117.9637 66.0226 31.4997 177.8864 79 A 3.6997 8.1851 120.6729 55.1672 18.1428 179.2330 80 E 3.9020 8.5598 118.0130 59.1741 29.5307 178.8040 81 F 4.1228 8.4185 120.8495 61.3171 39.4147 177.1074 82 L 4.0489 8.1457 118.5879 57.9672 41.4175 179.5826 83 Q 3.9247 8.2884 118.0938 58.9002 28.4176 178.5553 84 F 3.7721 8.0795 120.8011 60.4306 39.3278 176.1980 85 F 4.5829 7.3912 114.6539 55.9142 39.6750 175.4328 86 N 4.0768 7.7171 114.2867 54.3471 37.0383 176.6092 87 L 4.4421 7.8662 118.1625 54.0759 38.7845 176.7897 88 D 4.3002 7.6609 121.9484 57.0466 40.9661 178.4125 89 F 4.3161 7.8599 118.0498 60.7116 38.9708 177.6474 90 T 4.0167 8.0456 115.0025 66.7479 68.3692 176.4625 91 L 4.1602 8.2336 120.6941 57.8098 41.3858 179.4574 92 A 4.0922 7.8857 119.9668 54.7311 18.5407 179.1565 93 V 3.9503 7.6510 115.7648 65.1223 31.9763 177.8211 94 F 4.1658 8.7308 120.9844 61.5015 39.1142 176.8550 95 Q 4.0011 8.3745 117.6971 58.7537 28.4613 177.4232 96 P 4.2741 0.0000 0.0000 65.7924 31.2503 177.9452 97 E 3.9231 8.2494 118.6596 58.3293 29.6409 177.7539 98 T 4.1512 7.5142 107.2877 60.4758 69.4814 174.6346 99 S 3.6793 7.3195 116.8817 59.9295 61.1069 171.9468 100 T 4.4117 7.1243 111.1702 59.8976 70.9566 173.0204 *104 L 4.1537 7.9939 120.3206 54.5813 42.6984 176.2904 105 E 4.1068 8.5925 120.2782 56.1007 29.8138 178.5277 106 G 3.8969 8.4863 110.4441 43.8287 0.0000 174.4085 107 R 3.8904 8.4343 119.4943 59.3454 30.0785 177.8219 108 E 3.9081 8.1776 118.4114 59.6599 29.6256 178.4848 109 N 4.3723 8.1000 115.8385 56.0900 38.7419 177.1091 110 L 3.9312 8.2193 121.7261 58.0194 42.1357 178.8281 111 A 3.9903 8.4101 121.2141 55.1236 18.3289 179.4718 112 R 3.8196 7.9132 117.0202 59.8887 29.9543 178.5428 113 D 4.4398 8.1724 117.2634 56.6144 40.8475 177.7328 114 L 4.5550 7.5802 116.6868 53.4522 42.0755 176.5962 115 G 3.8713 7.7565 106.8182 46.6022 0.0000 173.6939 116 I 4.2479 7.9058 121.0523 59.2307 38.2055 175.6584 117 I 4.1836 8.1808 127.0259 59.7433 37.5365 175.5747 118 E 4.0474 8.6906 125.9221 56.2791 30.0249 176.1741 119 A 4.5865 8.7502 125.3136 51.0392 22.5342 176.0869 120 E 3.9392 9.0269 117.2062 59.9306 29.3417 179.1866 121 G 3.8429 8.0449 104.9017 46.7123 0.0000 173.8581 122 T 4.4405 7.8572 109.6887 62.4002 70.6073 177.0737 123 V 3.7051 7.9231 114.4202 63.7418 31.6478 176.8338 124 G 4.0443 8.0990 106.6405 45.5085 0.0000 172.9353 125 G 3.8092 7.5640 107.5749 42.3034 0.0000 170.8679 126 P 3.7021 0.0000 0.0000 61.7201 32.2673 177.5364 127 L 3.9423 9.0553 120.4686 57.9123 41.4361 179.6517 128 L 3.9969 8.0080 119.7914 57.9559 41.8321 178.6794 129 L 3.9858 7.9065 120.5574 57.9804 41.9202 178.5337 130 E 3.9378 8.1351 119.2345 59.0635 29.3353 178.8795 131 V 3.6380 7.7030 116.8334 66.3072 31.8696 177.6687 132 I 3.9066 7.8670 119.4611 64.3091 36.6844 178.3291 133 R 3.9622 8.3213 119.1974 58.8004 29.9564 177.7622 134 R 4.5242 7.5071 114.2369 55.5220 30.7490 176.5824 135 W 4.4627 7.8268 134.3439 57.8378 30.8567 175.0969 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 58 V 8.05 3.93 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 0.85 0.00 0.00 0.93 0.00 0.00 59 N 8.39 4.44 0.00 2.80 2.68 0.00 0.00 6.84 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 60 E 8.81 3.90 0.00 2.12 1.92 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 2.38 2.43 0.00 61 S 8.06 4.09 0.00 3.92 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 62 L 8.18 3.99 0.00 1.78 1.79 0.93 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.40 3.89 0.00 1.84 2.02 0.00 1.86 0.00 0.00 2.04 0.00 0.00 3.02 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.50 7.81 64 K 8.20 4.13 0.00 2.05 1.89 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.48 1.79 7.81 65 F 8.26 4.16 0.00 3.22 3.26 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 0.00 66 L 8.44 4.10 0.00 1.80 1.75 0.95 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 67 N 7.60 4.71 0.00 2.85 2.91 0.00 0.00 7.06 6.99 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 68 T 6.72 4.54 4.13 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 1.23 0.00 0.00 69 K 8.55 3.81 0.00 1.81 1.80 0.00 1.72 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.51 7.81 70 D 7.99 4.44 0.00 2.64 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 71 G 7.55 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 0.00 0.00 0.00 72 R 7.78 3.86 0.00 1.85 2.01 0.00 3.09 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 73 L 7.71 3.97 0.00 1.92 1.71 0.92 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 V 8.08 3.62 2.49 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 1.22 0.00 0.00 1.06 0.00 0.00 75 A 8.43 4.25 1.53 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 76 S 8.45 4.16 0.00 4.09 4.12 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 0.00 0.00 0.00 77 L 8.31 4.02 0.00 1.89 1.74 0.98 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 78 V 8.04 3.54 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 0.95 0.00 0.00 79 A 8.19 3.70 1.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 E 8.56 3.90 0.00 2.17 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 2.35 2.49 0.00 81 F 8.42 4.12 0.00 3.24 3.25 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 0.00 82 L 8.15 4.05 0.00 1.82 1.67 0.40 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 83 Q 8.29 3.92 0.00 2.25 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.58 0.00 84 F 8.08 3.77 0.00 2.91 2.69 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 0.00 0.00 0.00 0.00 85 F 7.39 4.58 0.00 2.77 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 N 7.72 4.08 0.00 2.80 2.92 0.00 0.00 6.87 7.46 0.00 0.00 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 L 7.87 4.44 0.00 1.79 1.68 0.99 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 88 D 7.66 4.30 0.00 2.31 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 89 F 7.86 4.32 0.00 3.14 3.08 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 0.00 0.00 0.00 0.00 90 T 8.05 4.02 4.47 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 1.29 0.00 0.00 91 L 8.23 4.16 0.00 1.86 1.77 0.90 0.59 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 92 A 7.89 4.09 1.47 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 0.00 0.00 93 V 7.65 3.95 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 1.06 0.00 0.00 1.01 0.00 0.00 94 F 8.73 4.17 0.00 3.26 3.25 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 0.00 95 Q 8.37 4.00 0.00 2.23 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.58 0.00 0.00 0.00 0.00 0.00 2.52 2.63 0.00 96 P 0.00 4.27 0.00 2.26 2.31 0.00 3.78 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.08 0.00 97 E 8.25 3.92 0.00 2.12 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 2.28 2.29 0.00 98 T 7.51 4.15 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 0.49 0.00 0.00 99 S 7.32 3.68 0.00 3.97 3.95 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 0.00 100 T 7.12 4.41 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 1.16 0.00 0.00 *104 L 7.99 4.15 0.00 1.78 1.78 1.23 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.59 4.11 0.00 2.00 1.91 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 2.36 2.41 0.00 106 G 8.49 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 0.00 107 R 8.43 3.89 0.00 1.91 1.96 0.00 3.48 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 1.71 1.71 0.00 108 E 8.18 3.91 0.00 2.08 1.94 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 2.38 2.42 0.00 109 N 8.10 4.37 0.00 2.82 2.86 0.00 0.00 6.68 6.74 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 0.00 110 L 8.22 3.93 0.00 1.91 1.86 0.94 1.16 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 0.00 111 A 8.41 3.99 1.45 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 0.00 0.00 112 R 7.91 3.82 0.00 1.93 2.12 0.00 3.10 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 113 D 8.17 4.44 0.00 2.85 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 0.00 114 L 7.58 4.56 0.00 1.66 1.71 0.97 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 115 G 7.76 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 0.00 116 I 7.91 4.25 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.85 0.91 0.00 0.00 117 I 8.18 4.18 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 1.42 0.51 0.91 0.00 0.00 118 E 8.69 4.05 0.00 1.96 1.90 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 2.32 2.26 0.00 119 A 8.75 4.59 1.23 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 0.00 0.00 120 E 9.03 3.94 0.00 1.95 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 2.33 2.40 0.00 121 G 8.04 3.84 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 0.00 0.00 0.00 122 T 7.86 4.44 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 1.21 0.00 0.00 123 V 7.92 3.71 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 0.82 0.00 0.00 1.01 0.00 0.00 124 G 8.10 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 0.00 0.00 0.00 125 G 7.56 3.81 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 0.00 0.00 0.00 126 P 0.00 3.70 0.00 2.26 1.84 0.00 3.43 0.00 0.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.25 0.00 127 L 9.06 3.94 0.00 1.67 1.76 0.95 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 128 L 8.01 4.00 0.00 1.80 1.72 0.90 0.43 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 0.00 129 L 7.91 3.99 0.00 1.82 1.78 0.95 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 130 E 8.14 3.94 0.00 2.14 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 2.31 2.38 0.00 131 V 7.70 3.64 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 1.02 0.00 0.00 1.01 0.00 0.00 132 I 7.87 3.91 1.87 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.74 0.89 0.00 0.00 133 R 8.32 3.96 0.00 2.05 2.09 0.00 3.30 0.00 0.00 3.25 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.76 0.00 134 R 7.51 4.52 0.00 1.94 1.96 0.00 3.33 0.00 0.00 3.21 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 135 W 7.83 4.46 0.00 3.48 3.12 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.