NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 12 R 4.3107 8.2549 119.7075 56.2580 31.4316 173.5511 13 S 4.6494 8.2316 114.4998 55.9073 66.8380 171.6629 14 L 4.8399 8.3415 121.9224 53.7715 45.7679 175.5522 15 N 5.0238 8.4268 122.3307 51.6938 38.7014 172.3604 16 R 4.8863 8.1080 121.0905 53.9045 33.5580 174.5383 17 V 4.4911 8.5944 123.9102 61.3925 35.2660 173.8259 18 H 5.2346 8.5731 122.0001 54.0359 32.4085 172.8762 19 L 4.7530 8.7970 121.2099 52.9947 46.2193 175.2326 20 L 5.1526 8.3159 124.1595 53.9888 45.1303 175.4178 21 G 4.3179 8.8970 112.6437 47.0858 0.0000 171.0916 22 R 5.2017 8.1815 118.4576 54.4868 32.4755 176.4026 23 V 4.7548 8.4705 124.9849 62.6842 32.0517 176.4681 24 G 4.0606 8.5907 113.3740 49.3684 0.0000 173.0032 25 Q 4.7852 7.8946 118.8121 53.6624 32.5710 173.6571 26 D 4.5375 8.6945 122.2553 54.0439 41.4267 175.0093 27 P 4.7935 0.0000 0.0000 62.7454 32.6214 175.7504 28 V 4.6271 8.9252 121.1789 61.2169 35.0745 174.3450 29 L 4.5777 8.2889 126.3777 53.6094 42.1555 176.5625 30 R 4.2682 8.5346 122.6428 56.3567 31.5690 176.2157 *36 N 4.5620 7.7801 115.2320 52.0423 38.1561 171.2943 37 P 4.5542 0.0000 0.0000 63.6096 33.3177 175.9768 38 V 4.1103 7.6228 112.3603 61.4452 34.0772 171.5247 39 T 4.9773 8.0893 122.1455 62.0489 70.6421 173.7260 40 I 5.0814 8.4065 126.6123 59.4888 40.7432 174.6590 41 F 5.3740 8.4811 120.7676 56.1181 42.1080 172.6696 42 S 5.2387 8.9516 112.7337 56.5677 66.9850 172.4871 43 L 5.3228 9.1929 121.2021 53.6990 45.6054 174.3285 44 A 4.5480 8.8207 127.8255 50.6960 21.3094 176.0290 45 T 4.6514 8.1505 117.4310 62.0044 72.3992 172.9916 46 N 5.3715 8.7892 123.5164 51.8407 41.0488 174.0364 47 E 4.8932 8.7088 119.7167 55.0092 34.3336 174.9730 48 M 4.8495 8.2314 119.6965 53.8020 35.8216 175.1132 *64 Q 4.0852 8.5000 121.4909 55.5659 30.3342 174.3622 65 K 4.4633 8.6561 123.4045 55.1113 34.0569 174.4137 66 T 4.8093 8.4903 122.4783 60.5998 69.5133 173.2807 67 T 4.5735 8.5281 125.4238 61.7164 70.7639 173.3130 68 W 5.1811 8.8127 126.1883 55.4001 31.1982 175.1354 69 H 5.0254 9.8318 121.7498 54.1649 31.5955 173.6612 70 R 4.6290 8.4525 120.5877 55.0124 31.9395 175.1652 71 I 4.5799 8.1566 125.6264 59.7497 39.4685 175.2089 72 S 4.9245 8.5145 121.2850 56.6251 67.3735 173.1192 73 V 4.5631 8.8072 123.4112 61.3843 33.5930 175.8860 74 F 4.5899 8.9871 125.5193 58.3123 41.1248 176.6025 75 R 3.9909 8.1577 118.5554 56.4372 30.2674 175.6907 76 P 4.3791 0.0000 0.0000 64.9126 32.0066 178.0887 77 G 3.8052 8.0957 107.2070 48.0242 0.0000 175.7166 78 L 3.7062 7.9133 122.2976 57.1768 41.9441 178.5557 79 R 3.8999 7.9574 119.0345 59.8275 29.9164 177.9537 80 D 4.5796 8.8826 118.6950 56.7387 41.1429 178.5672 81 V 3.7187 8.0047 118.1781 66.5531 30.9113 177.8755 82 A 4.1519 8.7664 119.8324 54.4125 17.9443 179.0707 83 Y 4.1090 7.3392 116.6357 60.8173 39.0394 176.8815 84 Q 3.7144 7.7560 118.9692 59.1275 29.1215 176.7930 85 Y 4.4190 7.5566 114.6890 58.9730 39.6849 177.1923 86 V 3.4821 7.2417 118.2502 63.1715 32.0198 175.1350 87 K 4.5891 8.0775 124.6715 53.5898 35.9578 175.3783 88 K 3.8237 8.4610 121.0314 58.3826 32.1333 177.5151 89 G 4.0202 8.9039 113.5319 45.6446 0.0000 173.9247 90 S 4.2318 7.5372 114.7635 58.7841 64.0661 173.4808 91 R 5.0245 8.4527 121.7057 55.0085 32.0985 174.6073 92 I 3.9913 8.4976 126.3188 59.6312 42.5922 173.1721 93 Y 5.2408 8.5919 123.6767 55.8829 41.2403 174.4092 94 L 5.1926 9.1045 126.8099 53.9843 44.3881 175.1117 95 E 5.3186 7.5459 118.7066 54.3742 32.6465 175.8228 96 G 4.1577 7.6220 107.1145 46.6094 0.0000 172.0103 97 K 5.0544 8.3673 120.1873 55.1132 36.5119 175.7139 98 I 4.4808 8.3499 122.4868 60.2094 39.2333 174.3667 99 D 4.6437 9.1396 128.1540 52.6578 44.3048 173.9646 100 Y 4.7508 8.5913 124.0099 56.4106 38.5247 175.3069 101 G 3.9054 9.0820 113.2908 46.0439 0.0000 171.0853 102 E 5.1963 8.8150 123.0829 55.1033 32.8574 174.1713 103 Y 4.8908 8.3544 125.2351 55.4781 41.5220 173.8078 104 M 5.3120 8.9056 117.8277 54.2696 34.6981 175.5320 105 D 4.9600 9.7720 123.1803 52.5451 41.1810 176.1287 106 K 4.8779 8.6465 133.2785 57.2512 34.1391 174.7357 107 N 4.5626 8.4055 116.8874 53.1149 37.8814 172.4743 108 N 4.9165 7.6607 113.1515 51.5215 40.2273 173.1344 109 V 4.4410 8.0469 118.1340 61.2872 33.0053 174.1603 110 R 4.5719 8.3243 127.5740 54.2722 34.3153 173.5813 111 R 4.9310 8.4120 121.0913 54.4690 32.4529 174.0253 112 Q 4.8436 9.5145 127.9308 54.2273 31.8313 173.6621 113 A 5.0890 8.7913 127.8625 50.4178 21.3524 175.0453 114 T 4.7311 9.5273 117.5434 60.4508 71.8111 172.6954 115 T 4.7687 8.5979 122.1725 61.9212 71.1060 173.6552 116 I 4.4792 8.7810 129.3513 59.9803 38.4174 175.3043 117 I 4.5613 8.3128 129.0097 61.0056 37.2010 176.0628 118 A 4.6971 8.9883 127.8823 52.5802 21.3793 176.4040 119 D 4.7667 7.8369 114.0973 53.0275 44.9803 173.6072 120 N 5.4742 8.8626 123.2219 51.8638 42.2742 173.1921 121 I 4.5318 9.2810 126.7181 59.6095 39.8924 174.3720 122 I 4.0670 8.4019 127.8778 59.9423 39.2094 175.4628 123 F 4.8931 6.7089 125.1711 57.8184 38.6502 175.7393 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 12 R 8.25 4.31 0.00 1.82 1.95 0.00 3.28 0.00 0.00 3.23 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.61 0.00 13 S 8.23 4.65 0.00 3.88 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 14 L 8.34 4.84 0.00 1.55 1.48 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 N 8.43 5.02 0.00 2.71 2.63 0.00 0.00 6.78 7.65 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 16 R 8.11 4.89 0.00 1.80 1.69 0.00 3.27 0.00 0.00 3.17 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.53 0.00 17 V 8.59 4.49 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 0.85 0.00 0.00 0.86 0.00 0.00 18 H 8.57 5.23 0.00 3.04 3.16 0.00 5.89 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 8.80 4.75 0.00 1.34 1.33 0.79 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.00 0.00 0.00 0.00 0.00 0.00 20 L 8.32 5.15 0.00 1.84 1.61 1.25 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 21 G 8.90 4.32 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 0.00 22 R 8.18 5.20 0.00 1.78 2.00 0.00 3.15 0.00 0.00 3.29 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 23 V 8.47 4.75 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.88 0.00 0.00 24 G 8.59 4.06 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 0.00 0.00 0.00 0.00 0.00 0.00 25 Q 7.89 4.79 0.00 2.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.89 0.00 0.00 0.00 0.00 0.00 2.23 2.45 0.00 26 D 8.69 4.54 0.00 2.59 2.55 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.79 0.00 2.15 2.12 0.00 3.51 0.00 0.00 3.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 1.83 0.00 28 V 8.93 4.63 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 0.97 0.00 0.00 0.98 0.00 0.00 29 L 8.29 4.58 0.00 1.07 1.34 0.70 -0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.53 4.27 0.00 1.71 1.88 0.00 3.15 0.00 0.00 3.23 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.48 0.00 *36 N 7.78 4.56 0.00 2.93 2.95 0.00 0.00 6.14 7.75 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 37 P 0.00 4.55 0.00 2.12 2.09 0.00 3.56 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 2.05 0.00 38 V 7.62 4.11 1.84 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 0.56 0.00 0.00 -0.11 0.00 0.00 39 T 8.09 4.98 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 1.39 0.00 0.00 40 I 8.41 5.08 1.83 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 1.04 0.88 0.00 0.00 41 F 8.48 5.37 0.00 3.11 3.13 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 42 S 8.95 5.24 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 L 9.19 5.32 0.00 1.85 1.49 1.05 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.82 4.55 0.43 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 0.00 0.00 45 T 8.15 4.65 4.30 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 1.20 0.00 0.00 46 N 8.79 5.37 0.00 2.52 2.67 0.00 0.00 6.93 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 47 E 8.71 4.89 0.00 1.88 1.77 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 2.20 2.24 0.00 48 M 8.23 4.85 0.00 1.93 1.90 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.53 0.00 *64 Q 8.50 4.09 0.00 2.07 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 65 K 8.66 4.46 0.00 1.85 1.65 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.33 1.38 7.81 66 T 8.49 4.81 4.03 0.00 0.00 0.00 0.00 0.00 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 67 T 8.53 4.57 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 1.15 0.00 0.00 68 W 8.81 5.18 0.00 3.14 3.06 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 0.00 0.00 0.00 69 H 9.83 5.03 0.00 3.08 3.14 0.00 5.79 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 R 8.45 4.63 0.00 1.70 1.79 0.00 3.08 0.00 0.00 3.33 7.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.78 0.00 71 I 8.16 4.58 0.56 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.81 0.45 0.00 0.00 72 S 8.51 4.92 0.00 3.53 3.13 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 73 V 8.81 4.56 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 1.06 0.00 0.00 1.03 0.00 0.00 74 F 8.99 4.59 0.00 3.03 2.99 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 0.00 0.00 0.00 75 R 8.16 3.99 0.00 1.94 1.95 0.00 3.30 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.75 0.00 76 P 0.00 4.38 0.00 2.07 2.13 0.00 3.71 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.11 0.00 77 G 8.10 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 78 L 7.91 3.71 0.00 1.77 1.73 1.03 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 79 R 7.96 3.90 0.00 2.25 1.91 0.00 3.10 0.00 0.00 3.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.85 0.00 80 D 8.88 4.58 0.00 2.73 2.75 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 81 V 8.00 3.72 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 1.16 0.00 0.00 1.03 0.00 0.00 82 A 8.77 4.15 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.34 4.11 0.00 3.00 3.07 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 0.00 0.00 0.00 0.00 84 Q 7.76 3.71 0.00 1.99 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.53 0.00 0.00 0.00 0.00 0.00 1.59 1.91 0.00 85 Y 7.56 4.42 0.00 3.00 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 86 V 7.24 3.48 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 0.14 0.00 0.00 0.69 0.00 0.00 87 K 8.08 4.59 0.00 1.73 1.58 0.00 1.69 0.00 0.00 1.45 0.00 0.00 2.78 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.51 1.44 7.81 88 K 8.46 3.82 0.00 1.99 1.76 0.00 1.95 0.00 0.00 1.88 0.00 0.00 2.90 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.48 1.59 7.81 89 G 8.90 4.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 7.54 4.23 0.00 3.84 3.98 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 91 R 8.45 5.02 0.00 1.95 1.93 0.00 3.25 0.00 0.00 3.59 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.88 0.00 92 I 8.50 3.99 1.76 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.59 0.65 0.00 0.00 93 Y 8.59 5.24 0.00 3.18 2.82 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 94 L 9.10 5.19 0.00 1.66 1.70 0.82 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 95 E 7.55 5.32 0.00 1.98 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 2.52 2.25 0.00 96 G 7.62 4.16 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 0.00 0.00 0.00 0.00 0.00 0.00 97 K 8.37 5.05 0.00 1.77 1.89 0.00 1.28 0.00 0.00 1.56 0.00 0.00 2.93 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.32 7.81 98 I 8.35 4.48 1.72 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.63 0.82 0.00 0.00 99 D 9.14 4.64 0.00 2.69 2.41 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 0.00 0.00 0.00 0.00 100 Y 8.59 4.75 0.00 2.92 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 0.00 101 G 9.08 3.91 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 0.00 0.00 0.00 102 E 8.81 5.20 0.00 1.82 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 2.26 2.44 0.00 103 Y 8.35 4.89 0.00 3.09 3.10 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 0.00 104 M 8.91 5.31 0.00 2.02 1.95 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.56 0.00 105 D 9.77 4.96 0.00 2.79 2.81 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 0.00 106 K 8.65 4.88 0.00 1.86 1.96 0.00 1.65 0.00 0.00 1.64 0.00 0.00 3.06 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.22 1.21 7.81 107 N 8.41 4.56 0.00 2.79 3.14 0.00 0.00 7.05 7.79 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 0.00 108 N 7.66 4.92 0.00 2.90 2.85 0.00 0.00 5.63 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.05 4.44 2.02 0.00 0.00 0.00 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 0.88 0.00 0.00 110 R 8.32 4.57 0.00 1.47 0.66 0.00 2.91 0.00 0.00 3.11 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.38 0.00 111 R 8.41 4.93 0.00 1.80 1.78 0.00 3.23 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 112 Q 9.51 4.84 0.00 2.40 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.53 0.00 0.00 0.00 0.00 0.00 2.19 2.14 0.00 113 A 8.79 5.09 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 0.00 114 T 9.53 4.73 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 1.23 0.00 0.00 115 T 8.60 4.77 4.29 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 1.12 0.00 0.00 116 I 8.78 4.48 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.68 1.08 0.00 0.00 117 I 8.31 4.56 2.05 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.35 0.96 0.00 0.00 118 A 8.99 4.70 1.26 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 0.00 0.00 119 D 7.84 4.77 0.00 2.82 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 0.00 120 N 8.86 5.47 0.00 2.77 2.65 0.00 0.00 6.88 7.94 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 0.00 121 I 9.28 4.53 2.17 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 1.22 0.81 1.21 0.00 0.00 122 I 8.40 4.07 1.79 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 1.22 0.64 0.83 0.00 0.00 123 F 6.71 4.89 0.00 3.16 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 * Residues marked with a * may have inaccurate shift predictions.