NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 E 4.6639 8.4449 121.7645 56.3132 30.7298 174.7199 5 S 4.8074 9.1273 123.3548 53.9980 67.1889 171.4478 6 P 4.9813 0.0000 0.0000 62.7916 33.0249 174.7279 7 L 5.7856 8.8797 121.5229 53.5982 44.2692 174.7463 8 H 4.9241 8.1539 113.9222 55.1668 31.9030 172.5604 9 G 4.1553 7.5099 105.0851 46.6817 0.0000 172.2152 10 T 5.3131 8.2890 111.0023 60.3629 72.3612 173.2001 11 Q 5.3604 9.5011 121.8117 54.6235 31.6500 173.8109 12 N 4.9543 9.0518 121.3150 52.7379 40.0497 175.1389 13 T 4.7838 8.2142 124.0310 63.2277 69.9123 176.2092 14 I 3.7849 8.4606 124.6563 63.8110 37.3094 177.1922 15 N 4.8912 7.9736 114.5979 52.0371 39.2206 174.1440 16 K 3.8796 7.7455 115.8595 57.3658 30.1358 176.2139 17 R 4.1228 7.9684 116.6979 56.4372 30.6673 177.5523 18 T 4.1932 8.4130 111.1861 63.4158 69.8282 174.6352 19 Q 4.8196 7.7184 119.9294 52.6490 28.3172 173.0384 20 P 4.6251 0.0000 0.0000 62.6865 33.6352 177.6954 21 T 4.7573 8.4123 111.7468 61.8472 70.9902 172.9045 22 F 5.3793 8.2768 116.3536 56.5421 41.9394 172.9100 23 G 4.8127 9.3446 105.6240 45.1450 0.0000 171.8533 24 F 5.6006 9.1289 116.0624 55.5376 42.3156 173.0829 25 T 5.0085 8.8634 116.7182 61.9357 71.1865 173.4938 26 V 4.3209 8.7901 126.7554 61.2283 33.5559 174.1192 27 N 4.4998 8.2030 127.9649 51.4260 38.4127 173.2426 28 W 4.4412 7.9166 125.0228 56.1699 29.6684 177.0148 29 K 3.9854 8.5704 125.1158 58.1613 31.8620 176.9584 30 F 5.0830 7.8037 117.3647 56.3118 39.7719 174.1795 31 S 4.6119 7.8707 113.1962 58.4025 65.2975 173.6792 32 E 4.6403 8.6504 116.7511 56.3342 29.5222 176.4926 33 S 4.9358 7.8373 115.6222 58.3539 65.1245 173.3120 34 T 5.1005 8.8323 117.1029 62.3840 72.7857 173.2547 35 T 5.1782 8.5635 121.3624 61.8887 71.9337 173.4986 36 V 4.9452 8.7128 118.5502 59.6184 34.9909 174.7483 37 F 5.2918 8.9685 122.4036 56.0393 42.7411 174.0664 38 T 4.6979 8.7714 116.2575 60.9391 71.2038 173.3252 39 G 3.6792 7.2186 112.3566 46.3738 0.0000 171.5731 40 Q 5.0160 8.1280 120.7734 54.5083 32.8510 174.4432 41 C 5.0136 8.8785 125.7672 56.0201 46.1226 172.2234 42 F 5.2590 9.5094 125.1306 55.7823 42.3078 174.9642 43 I 4.6510 9.9546 124.9898 60.0865 37.3402 175.4494 44 D 4.6220 9.1155 127.9926 53.6314 41.8414 177.3734 45 R 4.0218 8.5050 119.9768 58.5207 30.0228 177.5517 46 N 4.6799 8.2724 113.1883 52.3204 37.5540 175.9048 47 G 3.9971 8.1967 107.5892 45.3520 0.0000 174.2082 48 K 4.3764 8.1683 119.9478 55.9361 33.4710 176.3837 49 E 4.9393 8.8269 123.7736 56.5122 30.6654 176.8096 50 V 4.8697 9.0588 123.0686 60.4065 35.2504 173.8661 51 L 4.9827 8.8672 125.8959 53.6814 43.0730 175.8878 52 K 4.9569 9.1105 125.4595 55.4509 33.4894 176.1920 53 T 5.2682 9.0387 114.8653 60.2288 72.9018 172.6350 54 M 5.3157 9.1824 121.1163 53.2925 36.2802 174.6921 55 W 5.4086 8.2231 117.2254 54.8453 32.4572 173.8887 56 L 5.0272 8.8457 119.8939 52.9847 45.2033 175.2638 57 L 4.9809 9.3967 126.5902 53.5030 44.2350 174.7718 58 R 4.9522 9.3263 128.3278 55.1015 31.5625 175.4979 59 S 4.9028 8.9735 123.2695 57.5392 64.4835 173.9188 60 S 4.3717 8.5554 117.9148 58.2032 62.7141 173.8022 61 V 4.4796 8.2685 119.5443 59.6265 34.2466 175.5146 62 N 4.5995 8.5233 117.9228 54.8542 39.2433 175.2925 63 D 4.6501 7.6377 117.4399 52.5063 44.5500 175.4590 64 I 3.7269 8.7555 126.5284 64.0383 38.0922 177.8497 65 G 3.7762 8.6934 108.6360 47.8879 0.0000 173.8302 66 D 4.6674 8.2099 118.7540 54.0652 41.3499 177.6309 67 D 4.3509 8.0353 121.2494 56.9024 41.3304 178.5186 68 W 4.2948 8.3467 115.3111 58.5552 28.1138 176.6182 69 K 3.7466 6.6645 115.6471 56.1337 32.0167 176.6057 70 A 4.2517 7.5290 121.7775 52.9059 19.2975 177.0902 71 T 5.0803 7.5773 112.5526 61.7510 70.9135 173.8175 72 R 4.8135 8.9642 126.2043 54.7018 32.6497 175.9855 73 V 4.4129 7.1811 120.0210 59.0035 34.9054 175.1787 74 G 3.3056 5.6426 106.2345 45.9865 0.0000 171.6774 75 I 4.9672 8.2334 112.4471 59.3874 40.9205 175.0595 76 M 4.7861 9.2180 122.9296 54.5513 35.5892 173.3643 77 I 4.9823 8.4244 127.2654 59.9640 39.0262 175.0116 78 F 5.3468 9.3653 126.5307 56.0215 41.6394 174.9763 79 T 5.5070 9.2102 112.1985 59.3188 72.7229 177.8123 80 R 4.5546 8.7679 123.4651 55.8281 29.0915 180.9302 *96 C 4.5998 8.9697 132.4578 57.4672 43.2547 171.4112 97 S 4.9050 8.2557 120.3685 56.2545 63.7134 174.4767 98 L 4.0545 8.2526 125.9832 57.5021 41.7405 178.2009 99 T 3.9310 7.6863 115.4860 63.4764 69.2133 173.4682 100 G 3.4807 7.4001 112.6675 44.1916 0.0000 171.6385 101 K 4.9125 8.0363 119.2148 54.5535 34.7156 175.7621 102 W 5.3854 9.1577 123.3284 55.4342 33.7267 174.0740 103 T 5.4324 9.6281 116.8060 60.8104 71.0169 171.8852 104 N 5.4127 8.5178 121.7481 51.1222 40.7514 174.8373 105 D 4.4215 8.8128 117.4434 57.4377 40.9842 178.2319 106 L 4.0526 7.9424 117.8860 56.1847 41.7875 177.8629 107 G 4.0791 7.8629 105.3196 44.8244 0.0000 173.9899 108 S 4.6920 8.1373 115.7015 58.6792 64.4858 173.0343 109 N 5.2874 9.0521 118.6490 51.9637 42.8497 173.3483 110 M 5.0951 9.0677 122.4711 53.7640 36.3214 173.9364 111 T 5.0988 8.6377 114.3488 59.9821 72.2726 172.5202 112 I 4.5791 8.5093 126.2110 59.4897 39.8725 176.6818 113 G 4.2463 8.8356 113.9881 45.5333 0.0000 173.0691 114 A 4.1835 8.5711 122.5556 52.0859 19.0181 177.3462 115 V 4.3836 8.1088 121.2722 61.2366 32.6564 175.9269 116 N 4.7915 8.7847 125.8329 51.5511 38.7039 175.8373 117 S 4.1395 8.6281 112.1211 61.2744 62.7338 175.2887 118 R 4.2920 8.3761 117.7348 55.7843 30.1139 177.2795 119 G 4.1261 8.3537 107.3132 46.2005 0.0000 173.2831 120 E 4.7435 8.0724 120.1449 56.0692 30.9846 175.7146 121 F 5.4081 8.3281 117.9475 55.6429 42.2311 173.1179 122 T 5.0508 8.3854 108.5977 60.7045 72.7808 173.1010 123 G 4.0542 8.5794 107.5466 46.1612 0.0000 172.0646 124 T 5.3054 8.4097 109.4108 59.9882 72.7485 172.5735 125 Y 4.8734 9.3740 124.5479 56.0753 41.9154 174.2553 126 I 4.7871 9.1068 129.3523 60.1385 38.4291 175.2193 127 T 4.6716 9.0178 122.1591 61.5749 68.0522 174.2025 128 A 4.6006 8.4710 129.6768 52.3122 20.1385 176.9844 129 V 4.5756 7.2408 107.2671 59.9062 35.5774 175.6733 130 T 3.9134 8.0440 114.3987 62.5871 67.1771 173.3463 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 E 8.44 4.66 0.00 2.08 2.03 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 2.24 2.40 0.00 5 S 9.13 4.81 0.00 3.80 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 6 P 0.00 4.98 0.00 2.06 2.13 0.00 3.75 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.91 0.00 7 L 8.88 5.79 0.00 1.86 1.68 0.57 0.31 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 8 H 8.15 4.92 0.00 3.28 3.28 0.00 5.69 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 G 7.51 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 10 T 8.29 5.31 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 1.14 0.00 0.00 11 Q 9.50 5.36 0.00 2.24 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.96 0.00 0.00 0.00 0.00 0.00 2.51 2.37 0.00 12 N 9.05 4.95 0.00 2.78 2.80 0.00 0.00 6.94 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 13 T 8.21 4.78 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 1.25 0.00 0.00 14 I 8.46 3.78 2.07 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 0.35 0.92 0.00 0.00 15 N 7.97 4.89 0.00 2.68 2.79 0.00 0.00 6.95 7.61 0.00 0.00 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 K 7.75 3.88 0.00 1.88 1.89 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.54 7.81 17 R 7.97 4.12 0.00 1.80 1.86 0.00 3.20 0.00 0.00 3.28 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 18 T 8.41 4.19 4.26 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 1.23 0.00 0.00 19 Q 7.72 4.82 0.00 1.83 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 7.05 0.00 0.00 0.00 0.00 0.00 2.28 2.20 0.00 20 P 0.00 4.63 0.00 2.18 2.20 0.00 3.67 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.98 0.00 21 T 8.41 4.76 4.19 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 0.00 0.00 0.00 1.14 0.00 0.00 22 F 8.28 5.38 0.00 3.53 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 23 G 9.34 4.81 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 24 F 9.13 5.60 0.00 3.14 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 25 T 8.86 5.01 4.17 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 0.00 0.00 0.00 1.17 0.00 0.00 26 V 8.79 4.32 1.17 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 -0.53 0.00 0.00 0.91 0.00 0.00 27 N 8.20 4.50 0.00 2.69 2.61 0.00 0.00 7.30 7.74 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 28 W 7.92 4.44 0.00 3.38 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 29 K 8.57 3.99 0.00 1.50 1.60 0.00 1.33 0.00 0.00 1.51 0.00 0.00 2.86 0.00 0.00 2.68 0.00 0.00 0.00 0.00 0.97 0.21 7.81 30 F 7.80 5.08 0.00 3.12 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 31 S 7.87 4.61 0.00 3.95 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 E 8.65 4.64 0.00 1.97 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 2.23 2.32 0.00 33 S 7.84 4.94 0.00 3.83 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 34 T 8.83 5.10 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 1.20 0.00 0.00 35 T 8.56 5.18 4.45 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 0.86 0.00 0.00 36 V 8.71 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 37 F 8.97 5.29 0.00 1.54 2.66 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 0.00 0.00 0.00 0.00 38 T 8.77 4.70 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 1.13 0.00 0.00 39 G 7.22 3.68 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 8.13 5.02 0.00 1.89 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.88 0.00 0.00 0.00 0.00 0.00 1.66 2.09 0.00 41 C 8.88 5.01 0.00 3.10 2.91 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 42 F 9.51 5.26 0.00 3.00 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 43 I 9.95 4.65 1.97 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.83 0.98 0.00 0.00 44 D 9.12 4.62 0.00 2.82 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 45 R 8.51 4.02 0.00 1.84 1.99 0.00 3.24 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.62 0.00 46 N 8.27 4.68 0.00 2.82 2.92 0.00 0.00 6.19 7.00 0.00 0.00 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 G 8.20 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 0.00 0.00 0.00 48 K 8.17 4.38 0.00 1.94 1.82 0.00 1.72 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.49 1.56 7.81 49 E 8.83 4.94 0.00 2.06 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 0.00 2.46 2.40 0.00 50 V 9.06 4.87 2.25 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 1.09 0.00 0.00 1.13 0.00 0.00 51 L 8.87 4.98 0.00 1.80 1.84 -0.48 0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 52 K 9.11 4.96 0.00 2.08 1.90 0.00 1.48 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.55 1.65 7.81 53 T 9.04 5.27 4.66 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 0.00 0.00 0.00 1.69 0.00 0.00 54 M 9.18 5.32 0.00 1.71 1.85 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.35 0.00 55 W 8.22 5.41 0.00 2.65 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 0.00 0.00 0.00 56 L 8.85 5.03 0.00 1.58 1.58 0.89 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 57 L 9.40 4.98 0.00 1.73 1.79 0.88 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 58 R 9.33 4.95 0.00 1.95 1.95 0.00 3.32 0.00 0.00 3.17 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 59 S 8.97 4.90 0.00 3.68 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 60 S 8.56 4.37 0.00 3.89 3.77 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 61 V 8.27 4.48 2.03 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 0.74 0.00 0.00 0.96 0.00 0.00 62 N 8.52 4.60 0.00 2.71 2.87 0.00 0.00 6.65 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 63 D 7.64 4.65 0.00 2.71 2.46 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 64 I 8.76 3.73 1.89 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.21 0.94 0.00 0.00 65 G 8.69 3.78 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 0.00 0.00 0.00 66 D 8.21 4.67 0.00 2.81 2.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 D 8.04 4.35 0.00 2.86 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 W 8.35 4.29 0.00 3.57 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 69 K 6.66 3.75 0.00 1.03 0.74 0.00 1.22 0.00 0.00 1.05 0.00 0.00 2.80 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.32 0.79 7.81 70 A 7.53 4.25 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 71 T 7.58 5.08 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 1.22 0.00 0.00 72 R 8.96 4.81 0.00 1.97 2.03 0.00 3.15 0.00 0.00 3.24 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.58 0.00 73 V 7.18 4.41 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 0.82 0.00 0.00 0.64 0.00 0.00 74 G 5.64 3.31 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 0.00 75 I 8.23 4.97 1.96 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.83 0.82 0.00 0.00 76 M 9.22 4.79 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 2.44 0.00 77 I 8.42 4.98 1.89 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 1.42 0.77 1.04 0.00 0.00 78 F 9.37 5.35 0.00 2.76 3.09 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 0.00 0.00 0.00 79 T 9.21 5.51 4.41 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 1.37 0.00 0.00 80 R 8.77 4.55 0.00 1.64 0.82 0.00 2.96 0.00 0.00 2.25 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.00 0.00 *96 C 8.97 4.60 0.00 3.03 3.24 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 0.00 97 S 8.26 4.91 0.00 3.88 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 L 8.25 4.05 0.00 1.24 1.06 0.45 0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 99 T 7.69 3.93 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 100 G 7.40 3.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.04 4.91 0.00 1.52 1.59 0.00 1.51 0.00 0.00 1.74 0.00 0.00 2.95 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.35 1.31 7.81 102 W 9.16 5.39 0.00 3.01 3.03 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 0.00 103 T 9.63 5.43 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 1.34 0.00 0.00 104 N 8.52 5.41 0.00 2.64 2.57 0.00 0.00 7.35 7.97 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 0.00 105 D 8.81 4.42 0.00 2.71 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 L 7.94 4.05 0.00 1.88 1.78 0.98 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 107 G 7.86 4.08 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 0.00 0.00 0.00 108 S 8.14 4.69 0.00 4.13 3.99 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 0.00 109 N 9.05 5.29 0.00 2.54 2.60 0.00 0.00 6.68 8.52 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 0.00 110 M 9.07 5.10 0.00 1.63 1.17 0.00 0.00 0.00 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.15 0.00 111 T 8.64 5.10 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 1.15 0.00 0.00 112 I 8.51 4.58 1.91 0.00 0.00 0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.77 0.62 0.33 0.00 0.00 113 G 8.84 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 0.00 0.00 0.00 0.00 114 A 8.57 4.18 1.25 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 0.00 0.00 115 V 8.11 4.38 2.10 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 1.02 0.00 0.00 0.87 0.00 0.00 116 N 8.78 4.79 0.00 3.00 2.98 0.00 0.00 6.27 7.15 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 0.00 117 S 8.63 4.14 0.00 4.01 4.07 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 0.00 118 R 8.38 4.29 0.00 1.97 2.00 0.00 3.17 0.00 0.00 3.23 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.57 0.00 119 G 8.35 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 0.00 0.00 0.00 0.00 120 E 8.07 4.74 0.00 2.04 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 2.36 2.30 0.00 121 F 8.33 5.41 0.00 3.06 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 0.00 122 T 8.39 5.05 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 1.17 0.00 0.00 123 G 8.58 4.05 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 0.00 0.00 0.00 124 T 8.41 5.31 4.26 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 1.25 0.00 0.00 125 Y 9.37 4.87 0.00 2.95 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 0.00 126 I 9.11 4.79 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.59 0.99 0.00 0.00 127 T 9.02 4.67 4.60 0.00 0.00 0.00 0.00 0.00 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 0.00 128 A 8.47 4.60 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 0.00 129 V 7.24 4.58 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 0.71 0.00 0.00 0.91 0.00 0.00 130 T 8.04 3.91 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 1.15 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.