NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 19 K 4.2454 8.1733 121.7730 56.2715 34.1321 177.8130 20 K 3.6782 7.9447 117.1922 56.6473 32.2332 175.8031 21 N 4.3341 7.7794 115.0959 51.8553 38.3913 172.7005 22 R 5.0767 7.7249 118.8284 55.2024 32.1450 174.8451 23 I 4.6324 8.9452 127.6457 59.7224 39.7328 174.4813 24 Q 4.9268 8.7532 125.5273 54.0908 30.8470 175.2899 25 V 3.9090 8.4848 125.9854 61.7087 31.9029 176.7786 26 S 4.4694 8.4002 123.1809 57.9963 63.1579 173.8588 27 N 4.8691 8.1258 119.5329 52.6937 39.7731 174.8112 28 T 4.1709 8.4920 116.2850 63.4094 69.2862 175.7357 29 K 4.1571 8.0313 121.4308 58.3271 32.5384 177.8143 30 K 4.0251 7.5023 117.7564 55.4005 32.7993 174.9994 31 P 4.5551 0.0000 0.0000 61.8762 32.8746 176.7510 32 L 4.0530 8.5819 121.6171 58.8850 41.8486 179.5977 33 F 4.6873 7.8064 116.5610 60.2948 38.7862 177.0544 34 F 4.1339 8.0778 120.5828 61.5414 39.0740 176.5834 35 Y 3.9554 7.8661 115.8732 60.1834 37.8102 178.2263 36 V 3.5271 7.6705 118.8966 66.2058 31.9051 177.7699 37 N 4.2146 8.6053 116.5840 56.0920 38.2482 177.2460 38 L 3.7015 7.5505 121.5817 57.8405 41.7982 178.9112 39 A 3.7790 7.4325 119.8901 54.9159 18.3346 179.5033 40 K 4.2616 7.6739 116.3234 59.7127 32.2074 179.5338 41 R 4.2516 8.3247 117.8036 59.2052 30.2989 179.5123 42 Y 4.5835 8.3377 116.5887 58.3624 37.6994 178.1687 *44 Q 4.6157 8.1046 120.7069 55.9692 31.0986 176.8952 45 Q 3.9762 8.5011 116.1463 58.0437 29.0679 176.4466 46 Y 4.4808 7.6631 111.1006 57.5567 39.4682 175.5943 47 N 4.8516 8.5986 121.8272 52.7887 36.5635 173.7525 48 D 5.8500 7.6536 113.8074 51.4907 42.5657 175.2897 49 V 4.6459 7.9190 114.9826 60.9840 34.4645 172.1274 50 E 5.1223 9.4336 124.1382 54.7794 32.2790 174.9403 51 L 5.2937 9.1619 123.5007 53.0602 45.1401 175.8196 52 S 5.3946 9.1092 117.5768 55.7608 67.0806 172.6344 53 A 4.6606 8.0471 119.3271 51.5104 22.1192 175.2000 54 L 4.8739 8.4301 118.9805 53.5363 44.4955 176.9625 55 G 3.4945 8.8783 104.0080 48.1081 0.0000 175.8743 *57 A 4.3015 7.5475 122.1930 51.3394 20.7089 178.2650 58 I 3.6780 7.7036 116.9953 64.0408 37.0036 177.9558 59 A 4.0113 8.0145 121.2178 55.6069 18.1306 179.6933 60 T 3.7590 7.7252 113.4928 66.7266 68.5793 176.9279 61 V 3.4820 7.4524 119.8837 65.8128 31.5375 178.0242 62 V 3.5661 8.2195 118.3217 66.4445 31.3013 178.1614 63 T 3.8536 8.2790 115.6143 66.5570 68.2514 176.4930 64 V 3.6013 8.2823 120.4242 66.5530 31.4033 177.9011 65 T 3.8719 7.9940 115.0147 66.9391 68.3847 176.1871 66 E 3.9493 8.2155 120.0900 59.6575 29.4960 179.6004 67 I 3.7877 8.2210 120.0302 64.5283 37.1465 178.5473 68 L 4.2365 8.1871 119.8814 57.5409 41.4843 179.4855 69 K 4.1692 8.9083 119.1014 59.5638 31.8450 178.8758 70 N 4.3390 8.1556 115.6679 56.7506 38.5647 176.4798 71 N 4.4914 8.1839 112.2360 54.1170 38.6285 176.1473 72 G 3.9262 8.2223 106.7542 45.5788 0.0000 174.7087 73 F 4.4709 8.3302 120.0083 60.2627 40.1173 174.8004 74 A 5.2087 7.7844 117.6139 51.3387 22.2648 175.2688 75 V 4.6422 8.6653 117.5957 61.1597 35.2167 174.8477 76 E 4.7252 8.7448 122.9063 55.9409 30.5789 175.6351 77 K 4.5012 9.0669 121.1404 57.1903 34.9503 176.3713 78 K 4.7351 7.7821 119.5866 55.0136 35.7576 175.3085 79 I 5.1211 7.9726 125.4980 59.4247 41.2695 174.6097 *81 T 4.3124 8.2929 119.7570 63.5798 69.5856 173.3337 82 S 4.7777 9.1094 119.5221 56.9221 67.3911 172.5168 83 I 4.8265 8.2714 120.9600 59.9375 38.3533 175.7402 84 V 4.5738 8.6048 119.8907 59.4215 35.4641 174.5120 85 D 5.0418 8.6024 122.3705 54.0437 41.6618 175.9921 86 I 4.4188 8.4584 123.9669 59.1922 39.8035 176.8444 87 K 4.0683 8.5512 126.8089 55.6375 30.0611 173.8537 *94 P 4.2009 0.0000 0.0000 61.9551 32.7491 177.0495 95 V 4.1228 8.0210 113.3997 60.9498 33.1839 174.8440 96 Q 5.1836 8.5906 123.3444 54.3871 30.8044 175.1869 97 K 4.7601 8.9152 121.3084 54.3445 36.8024 175.7071 98 A 4.5702 8.5414 125.1861 51.9303 20.1006 176.3089 99 K 4.9199 9.2333 122.2168 54.7514 35.9819 174.8199 100 I 4.7337 8.6635 127.3389 59.2153 40.7801 173.7299 101 E 4.9873 8.5809 127.5857 54.5539 32.9176 173.9600 102 I 4.9204 9.1100 128.1314 59.8631 40.5358 174.5273 103 T 5.0448 8.8839 124.2977 61.8524 70.7331 173.8052 104 L 5.2734 8.9424 126.1249 53.1528 45.5215 175.8640 105 V 4.9485 8.5174 112.8269 59.1933 36.3387 175.2735 106 K 3.8300 8.0753 122.3917 57.2860 32.4477 176.9511 107 S 4.7267 9.0533 119.5679 57.0228 63.9435 174.6983 108 E 4.1223 8.9771 120.6024 58.1032 29.0637 177.5593 109 K 5.1550 7.7521 117.7039 55.4470 32.6663 177.3608 110 F 4.1089 7.9591 122.8923 60.7723 39.8663 176.5519 111 D 4.3839 8.5145 121.9971 57.5650 41.5445 178.5444 112 E 4.0511 7.7972 113.6600 59.3816 29.8278 180.0733 113 L 3.8744 7.5172 117.1688 54.6572 40.6435 178.6411 *115 A 4.1358 8.0102 122.1030 51.5399 20.3021 178.1126 116 A 4.3834 7.5474 116.6429 52.8798 20.5381 176.8453 117 A 4.1645 8.0042 122.9850 52.8641 18.3652 177.1157 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 19 K 8.17 4.25 0.00 1.78 1.83 0.00 1.69 0.00 0.00 1.81 0.00 0.00 2.96 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.39 1.47 7.81 20 K 7.94 3.68 0.00 1.45 1.60 0.00 1.77 0.00 0.00 1.83 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 21 N 7.78 4.33 0.00 2.56 1.80 0.00 0.00 5.72 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 22 R 7.72 5.08 0.00 1.95 1.96 0.00 3.23 0.00 0.00 3.39 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 23 I 8.95 4.63 1.87 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.51 1.04 0.00 0.00 24 Q 8.75 4.93 0.00 1.96 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.97 0.00 0.00 0.00 0.00 0.00 2.27 2.35 0.00 25 V 8.48 3.91 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 0.22 0.00 0.00 0.23 0.00 0.00 26 S 8.40 4.47 0.00 3.99 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 27 N 8.13 4.87 0.00 2.83 2.83 0.00 0.00 7.01 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 28 T 8.49 4.17 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 1.22 0.00 0.00 29 K 8.03 4.16 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.38 7.81 30 K 7.50 4.03 0.00 1.95 1.50 0.00 0.72 0.00 0.00 1.31 0.00 0.00 2.48 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.23 0.93 7.81 31 P 0.00 4.56 0.00 2.31 2.14 0.00 3.39 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.04 0.00 32 L 8.58 4.05 0.00 1.64 1.29 0.95 0.85 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 33 F 7.81 4.69 0.00 3.10 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 34 F 8.08 4.13 0.00 2.97 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 35 Y 7.87 3.96 0.00 3.21 2.86 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 36 V 7.67 3.53 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 0.96 0.00 0.00 1.19 0.00 0.00 37 N 8.61 4.21 0.00 2.75 2.75 0.00 0.00 6.75 6.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.55 3.70 0.00 1.18 1.03 0.72 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 39 A 7.43 3.78 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 7.67 4.26 0.00 1.86 1.93 0.00 1.38 0.00 0.00 1.24 0.00 0.00 2.13 0.00 0.00 2.30 0.00 0.00 0.00 0.00 1.18 1.40 7.81 41 R 8.32 4.25 0.00 1.94 2.12 0.00 3.37 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.84 0.00 42 Y 8.34 4.58 0.00 3.16 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 *44 Q 8.10 4.62 0.00 2.43 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.69 6.96 0.00 0.00 0.00 0.00 0.00 2.64 2.94 0.00 45 Q 8.50 3.98 0.00 1.32 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.62 6.72 0.00 0.00 0.00 0.00 0.00 2.14 2.42 0.00 46 Y 7.66 4.48 0.00 3.12 2.93 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 47 N 8.60 4.85 0.00 2.92 3.07 0.00 0.00 6.73 8.08 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 48 D 7.65 5.85 0.00 2.78 2.67 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 0.00 0.00 0.00 0.00 49 V 7.92 4.65 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 0.88 0.00 0.00 1.03 0.00 0.00 50 E 9.43 5.12 0.00 1.89 1.88 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 2.23 2.24 0.00 51 L 9.16 5.29 0.00 1.47 1.48 0.90 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 52 S 9.11 5.39 0.00 3.91 3.89 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 53 A 8.05 4.66 1.15 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 0.00 0.00 0.00 0.00 0.00 0.00 54 L 8.43 4.87 0.00 1.50 1.57 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 55 G 8.88 3.49 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *57 A 7.55 4.30 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 58 I 7.70 3.68 1.93 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 1.50 0.56 0.89 0.00 0.00 59 A 8.01 4.01 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 7.73 3.76 4.23 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 0.98 0.00 0.00 61 V 7.45 3.48 2.15 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 0.96 0.00 0.00 0.82 0.00 0.00 62 V 8.22 3.57 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 0.97 0.00 0.00 0.99 0.00 0.00 63 T 8.28 3.85 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 1.23 0.00 0.00 64 V 8.28 3.60 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 1.11 0.00 0.00 1.03 0.00 0.00 65 T 7.99 3.87 4.39 0.00 0.00 0.00 0.00 0.00 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 66 E 8.22 3.95 0.00 2.28 2.04 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 2.35 2.38 0.00 67 I 8.22 3.79 2.12 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.81 0.97 0.00 0.00 68 L 8.19 4.24 0.00 1.87 1.82 0.92 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 69 K 8.91 4.17 0.00 1.91 1.89 0.00 1.89 0.00 0.00 1.86 0.00 0.00 2.95 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.66 7.81 70 N 8.16 4.34 0.00 2.91 2.95 0.00 0.00 7.21 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 N 8.18 4.49 0.00 3.28 3.24 0.00 0.00 7.20 7.73 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 72 G 8.22 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 0.00 0.00 0.00 73 F 8.33 4.47 0.00 3.12 3.46 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 0.00 0.00 0.00 0.00 74 A 7.78 5.21 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 75 V 8.67 4.64 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 1.00 0.00 0.00 0.95 0.00 0.00 76 E 8.74 4.73 0.00 2.02 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 2.25 2.25 0.00 77 K 9.07 4.50 0.00 1.78 1.80 0.00 1.77 0.00 0.00 1.63 0.00 0.00 2.88 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.33 1.34 7.81 78 K 7.78 4.74 0.00 1.82 1.56 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.85 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 79 I 7.97 5.12 1.87 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 1.43 1.09 0.91 0.00 0.00 *81 T 8.29 4.31 4.23 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 1.23 0.00 0.00 82 S 9.11 4.78 0.00 3.77 3.89 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 83 I 8.27 4.83 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 1.34 0.89 0.91 0.00 0.00 84 V 8.60 4.57 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 1.00 0.00 0.00 85 D 8.60 5.04 0.00 2.56 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 86 I 8.46 4.42 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 1.11 0.84 0.91 0.00 0.00 87 K 8.55 4.07 0.00 1.71 1.75 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.42 1.43 7.81 *94 P 0.00 4.20 0.00 2.24 2.08 0.00 3.81 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.99 0.00 95 V 8.02 4.12 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 0.72 0.00 0.00 0.98 0.00 0.00 96 Q 8.59 5.18 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 6.73 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 97 K 8.92 4.76 0.00 1.60 1.62 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.83 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.34 1.51 7.81 98 A 8.54 4.57 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 99 K 9.23 4.92 0.00 1.75 1.59 0.00 1.59 0.00 0.00 1.57 0.00 0.00 2.76 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.35 7.81 100 I 8.66 4.73 1.85 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 1.10 1.28 0.88 0.00 0.00 101 E 8.58 4.99 0.00 2.02 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 2.25 2.30 0.00 102 I 9.11 4.92 1.86 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 1.22 0.50 0.91 0.00 0.00 103 T 8.88 5.04 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 0.00 104 L 8.94 5.27 0.00 1.55 1.54 0.93 0.69 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 0.00 105 V 8.52 4.95 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 0.71 0.00 0.00 0.96 0.00 0.00 106 K 8.08 3.83 0.00 1.49 1.52 0.00 1.55 0.00 0.00 1.32 0.00 0.00 2.63 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.30 1.17 7.81 107 S 9.05 4.73 0.00 3.89 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 0.00 108 E 8.98 4.12 0.00 2.13 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 0.00 2.28 2.29 0.00 109 K 7.75 5.16 0.00 1.94 1.74 0.00 1.93 0.00 0.00 1.68 0.00 0.00 2.77 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.39 1.33 7.81 110 F 7.96 4.11 0.00 3.42 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 0.00 111 D 8.51 4.38 0.00 2.75 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 0.00 112 E 7.80 4.05 0.00 2.14 2.16 0.00 0.00 0.00 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 2.21 0.00 113 L 7.52 3.87 0.00 1.36 1.11 0.15 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 *115 A 8.01 4.14 1.31 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 0.00 0.00 0.00 0.00 0.00 0.00 116 A 7.55 4.38 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 0.00 117 A 8.00 4.16 1.34 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.