NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 V 4.0950 8.0393 120.3972 62.7861 32.6934 174.6721 11 S 4.4083 8.5034 121.6441 56.0691 64.5588 171.7524 12 D 4.4828 9.2394 123.7401 53.9818 42.2622 177.1306 13 L 4.4028 8.2954 125.3343 54.4895 42.4062 177.7987 14 D 4.4183 8.0991 119.7045 57.3394 41.1731 178.1346 15 W 4.3031 8.2575 128.2303 60.3668 30.9352 178.5510 16 L 4.2194 7.7525 116.9763 55.0878 40.5174 179.2517 *18 S 3.8940 8.3478 116.7348 58.4278 64.8939 176.3811 19 G 3.3611 7.6579 106.8896 47.6824 0.0000 175.3786 20 L 3.8399 7.4591 122.6910 57.8689 41.9228 179.1616 21 V 3.6436 7.5811 116.3532 66.0945 31.4835 177.5713 22 Q 4.0584 8.0475 117.3718 58.9736 28.7057 178.5369 23 R 4.3372 7.7791 117.0210 56.7929 30.5702 176.7176 24 V 4.2078 7.1854 117.3168 59.8009 32.7630 172.6668 25 P 4.2968 0.0000 0.0000 64.6670 31.7088 176.9823 26 H 4.3957 8.8749 118.0105 56.1683 27.0387 175.4332 27 T 4.3962 7.3864 115.3843 64.0387 68.8411 173.7796 28 T 4.6825 8.4442 115.4649 63.2758 70.6968 173.8141 29 S 4.8960 7.7894 112.4203 57.5761 66.3313 174.1397 30 A 5.1158 8.8867 122.3974 50.5162 22.6748 175.2432 31 V 4.7173 9.2806 122.4959 60.9083 34.9685 173.8826 32 L 5.0772 8.9091 130.5565 53.7326 43.7285 175.1156 33 L 5.3842 8.9143 125.9865 53.7079 44.4626 176.0751 34 S 4.6768 8.9852 115.5780 58.4009 63.8876 175.2190 35 C 4.2073 8.7087 119.4110 62.2349 27.9511 174.4938 36 D 4.6074 8.0672 117.5238 53.2598 39.3759 176.8091 37 G 3.9361 8.6290 108.4030 45.7675 0.0000 173.0797 38 L 4.5954 7.9585 119.7389 52.2738 43.2533 176.4400 39 V 3.9934 8.2996 123.3097 63.0202 32.1279 175.3391 40 K 4.5040 8.7319 126.3361 57.7909 34.1627 176.4972 41 S 4.8777 7.7785 111.7308 57.5677 65.6595 173.9213 42 V 5.0033 8.7863 123.4374 61.0706 34.5197 172.6563 43 H 4.7663 9.3531 122.1167 56.0248 33.0792 174.1081 44 G 3.9510 9.4402 113.2474 44.9191 0.0000 173.0330 45 L 4.7539 7.1973 118.7319 51.8403 45.0498 176.6710 46 D 4.5842 8.4685 122.6425 52.9278 41.3951 175.8543 47 P 4.2353 0.0000 0.0000 65.6867 31.3458 178.8557 48 D 4.3594 8.1918 117.5512 57.3396 40.6487 178.7348 49 S 4.1953 8.0849 114.2188 61.5155 62.8950 176.2256 50 A 4.1447 8.0436 122.7057 55.2399 18.3838 179.0302 51 D 4.4941 8.0674 117.3440 57.6677 40.7833 179.2516 52 H 4.1496 7.9328 115.1077 56.0838 28.6879 177.3429 *54 A 4.1961 8.0792 125.7075 52.3120 20.6593 179.8611 55 A 3.9724 7.9656 117.5269 55.3380 18.4567 179.6629 56 L 3.9244 8.2858 117.4040 58.1261 41.7075 179.8876 57 A 4.0651 7.9987 120.2682 55.0900 18.3345 179.6691 58 S 4.2775 8.5313 113.2395 61.4077 63.0554 177.0772 59 G 3.5875 8.1481 109.4827 47.5699 0.0000 175.6903 60 L 4.0193 8.1312 121.7026 57.7671 41.6933 179.0440 61 Y 3.9844 8.3270 119.6114 60.6983 38.7156 178.0352 62 S 4.0041 8.3578 114.3202 61.1630 62.3922 176.2034 63 L 4.0635 8.0850 121.9752 57.6105 41.3582 179.3770 64 G 3.6552 8.1940 105.9836 47.8847 0.0000 175.5574 65 R 3.6844 7.6096 120.9037 59.2431 30.1509 178.7141 66 S 4.0422 8.0780 114.6706 61.4385 62.7184 176.5511 67 A 4.2289 8.3960 123.8340 55.1588 18.1215 179.6398 68 G 3.7091 8.3667 104.5832 48.3120 0.0000 175.6200 69 I 3.6236 7.7159 121.5919 63.7694 37.1737 177.8424 70 R 3.9530 7.4673 117.5564 57.4950 30.3782 176.8099 71 F 4.8713 8.6913 113.9614 56.9264 40.8457 175.1888 72 G 4.3398 7.8668 110.6503 44.4150 0.0000 172.7764 73 D 4.6662 8.5544 116.3000 54.8452 41.2724 179.1808 74 G 4.0948 8.3908 106.4015 46.6026 0.0000 174.6086 75 G 3.8502 8.1095 108.3422 44.9596 0.0000 172.8555 76 D 4.6032 8.2256 118.8674 53.3781 41.5355 176.8891 77 V 3.7808 7.9948 120.9322 63.2347 32.4572 176.3855 78 R 4.2241 8.7484 125.8827 58.8155 30.5537 176.0358 79 Q 5.0623 7.5643 114.6275 55.1060 32.1459 173.0978 80 V 4.4756 9.0693 125.0554 61.0162 34.3864 174.2853 81 V 4.4772 8.3789 127.0027 61.0417 33.9095 174.4212 82 V 4.0944 8.6982 128.9581 61.3640 33.0856 174.0053 83 E 4.6166 8.6903 129.8306 54.9046 30.5427 174.9953 84 L 4.6458 8.3033 128.6160 52.8097 44.3792 175.9981 85 D 4.4747 8.7749 117.9672 57.4294 41.1987 177.3009 86 S 4.7120 8.0490 111.9722 58.1448 65.0341 173.0554 87 T 5.1901 7.5353 109.5205 59.8582 72.8126 172.5276 88 L 5.1713 9.3262 121.2556 52.7885 46.0185 175.5433 89 L 5.1752 8.6604 123.8365 53.3923 45.1620 174.8858 90 F 5.0831 9.4501 125.7535 55.6981 41.6476 174.7859 91 V 4.9274 9.4354 124.7169 61.3003 33.5981 174.3983 92 S 5.3579 8.9774 123.0625 56.4233 66.2494 173.8170 93 T 4.2072 8.2831 117.5221 63.6880 68.7896 174.4030 94 A 4.4800 8.1383 125.0989 51.2524 20.6704 176.9688 95 G 4.0272 8.1299 104.4765 46.6814 0.0000 173.7016 96 S 3.9015 9.3730 111.5643 59.2787 60.7779 172.6197 97 G 3.8658 8.1706 103.8783 46.9391 0.0000 173.5541 98 T 5.0870 7.5703 107.2049 59.9880 73.2118 172.6886 99 C 5.0981 9.1787 118.4140 57.9458 33.2349 172.8968 100 L 5.0985 8.8576 123.1168 53.2913 44.3497 174.7719 101 A 5.2616 9.3431 128.5389 50.1529 21.6809 175.0132 102 V 4.8299 9.0417 122.8612 61.1160 34.8875 174.1792 103 L 5.3669 8.5355 126.9221 53.5099 43.8962 175.4244 104 A 5.0932 8.8741 123.3797 50.3171 23.3102 175.9549 105 G 4.1404 9.2152 107.7960 45.9751 0.0000 175.2126 106 R 4.2946 8.5704 118.1046 57.7167 29.5532 177.5692 107 E 4.0356 7.9605 117.1965 57.6347 29.7523 176.8704 108 A 4.1915 7.6510 122.5462 51.6362 19.2896 177.3611 109 D 4.5733 8.5388 120.0723 53.5844 41.5871 177.0912 110 A 4.1868 8.5713 128.6384 53.3559 18.8727 178.6871 111 A 3.9281 8.6825 120.6148 54.9777 18.6096 179.6420 112 V 3.5584 8.0521 116.1887 66.4208 31.3465 177.9311 113 L 3.9493 8.1354 118.7277 57.8538 41.8742 178.7980 114 G 3.5964 7.3502 104.4022 47.4032 0.0000 175.0722 115 Y 4.2734 7.7798 120.9884 60.5333 38.9643 179.0075 116 E 3.7509 8.0541 116.0704 56.6293 30.1806 177.3043 *118 A 4.0116 7.8846 120.0217 52.0633 20.4254 179.4983 *120 L 4.1313 7.9789 122.0007 56.7472 43.9378 178.7624 121 V 3.5829 7.8146 117.1334 66.2982 31.0778 178.0508 122 K 4.0198 7.8905 116.7762 59.1934 31.8903 179.1943 123 S 4.3423 7.8266 113.5740 61.0801 63.6026 176.1929 124 V 4.1167 8.1208 115.0848 62.5894 31.1066 177.9700 125 R 3.9086 7.5324 119.7456 59.4406 29.6218 176.5210 126 P 4.1813 0.0000 0.0000 65.4313 31.2890 177.8501 127 Y 4.2077 7.8115 115.1252 60.4544 38.0356 175.5224 128 L 4.2152 7.6356 123.0283 55.0640 41.6969 176.7497 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 10 V 8.04 4.09 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 1.03 0.00 0.00 0.95 0.00 0.00 11 S 8.50 4.41 0.00 4.03 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 12 D 9.24 4.48 0.00 2.64 2.60 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 0.00 13 L 8.30 4.40 0.00 1.68 1.57 0.87 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.10 4.42 0.00 2.74 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 15 W 8.26 4.30 0.00 3.29 2.98 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 16 L 7.75 4.22 0.00 1.82 1.62 0.87 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 *18 S 8.35 3.89 0.00 3.31 3.36 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 0.00 19 G 7.66 3.36 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 0.00 0.00 0.00 0.00 20 L 7.46 3.84 0.00 1.63 1.59 0.87 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.58 3.64 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 0.94 0.00 0.00 0.96 0.00 0.00 22 Q 8.05 4.06 0.00 2.06 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.23 2.35 0.00 23 R 7.78 4.34 0.00 1.74 1.96 0.00 3.09 0.00 0.00 3.11 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 24 V 7.19 4.21 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 0.98 0.00 0.00 0.93 0.00 0.00 25 P 0.00 4.30 0.00 2.06 1.88 0.00 3.76 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.09 0.00 26 H 8.87 4.40 0.00 3.47 3.55 0.00 5.82 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 T 7.39 4.40 4.40 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 1.21 0.00 0.00 28 T 8.44 4.68 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 1.25 0.00 0.00 29 S 7.79 4.90 0.00 3.98 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 30 A 8.89 5.12 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 31 V 9.28 4.72 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 0.98 0.00 0.00 0.94 0.00 0.00 32 L 8.91 5.08 0.00 1.77 1.49 0.92 0.40 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 33 L 8.91 5.38 0.00 1.75 1.67 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 34 S 8.99 4.68 0.00 3.98 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 35 C 8.71 4.21 0.00 2.98 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 36 D 8.07 4.61 0.00 2.77 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 37 G 8.63 3.94 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 0.00 0.00 0.00 0.00 0.00 0.00 38 L 7.96 4.60 0.00 1.70 1.57 0.97 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 39 V 8.30 3.99 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 0.81 0.00 0.00 0.98 0.00 0.00 40 K 8.73 4.50 0.00 1.72 1.81 0.00 1.82 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.37 1.34 7.81 41 S 7.78 4.88 0.00 3.84 3.62 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 0.00 0.00 0.00 0.00 42 V 8.79 5.00 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 0.62 0.00 0.00 0.97 0.00 0.00 43 H 9.35 4.77 0.00 3.20 3.09 0.00 5.74 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 44 G 9.44 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 0.00 0.00 0.00 45 L 7.20 4.75 0.00 1.58 1.54 0.93 1.05 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 46 D 8.47 4.58 0.00 2.87 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 47 P 0.00 4.24 0.00 2.18 2.14 0.00 3.59 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 48 D 8.19 4.36 0.00 2.89 2.74 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 49 S 8.08 4.20 0.00 4.07 3.94 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 0.00 0.00 0.00 50 A 8.04 4.14 1.36 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 0.00 0.00 0.00 51 D 8.07 4.49 0.00 2.82 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 52 H 7.93 4.15 0.00 3.45 3.31 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *54 A 8.08 4.20 1.41 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 0.00 0.00 55 A 7.97 3.97 1.43 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 56 L 8.29 3.92 0.00 1.70 1.76 0.93 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 57 A 8.00 4.07 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 58 S 8.53 4.28 0.00 4.34 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 0.00 59 G 8.15 3.59 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 0.00 0.00 0.00 60 L 8.13 4.02 0.00 1.93 1.77 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 61 Y 8.33 3.98 0.00 3.16 3.20 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 0.00 0.00 0.00 0.00 62 S 8.36 4.00 0.00 4.04 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 63 L 8.08 4.06 0.00 1.73 1.69 0.92 0.69 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 64 G 8.19 3.66 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 0.00 0.00 0.00 65 R 7.61 3.68 0.00 1.50 1.92 0.00 3.05 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.55 0.00 66 S 8.08 4.04 0.00 4.02 3.88 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 67 A 8.40 4.23 1.46 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 0.00 0.00 68 G 8.37 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.72 3.62 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.71 0.84 0.00 0.00 70 R 7.47 3.95 0.00 1.66 0.96 0.00 2.78 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 1.31 0.00 71 F 8.69 4.87 0.00 3.09 2.96 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 72 G 7.87 4.34 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 0.00 73 D 8.55 4.67 0.00 2.81 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 74 G 8.39 4.09 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 0.00 0.00 0.00 75 G 8.11 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 0.00 0.00 0.00 76 D 8.23 4.60 0.00 2.74 2.71 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.99 3.78 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 0.85 0.00 0.00 0.71 0.00 0.00 78 R 8.75 4.22 0.00 1.96 2.00 0.00 3.25 0.00 0.00 3.30 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.65 0.00 79 Q 7.56 5.06 0.00 2.11 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.68 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 80 V 9.07 4.48 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 0.88 0.00 0.00 1.01 0.00 0.00 81 V 8.38 4.48 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 0.39 0.00 0.00 0.97 0.00 0.00 82 V 8.70 4.09 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 0.90 0.00 0.00 0.88 0.00 0.00 83 E 8.69 4.62 0.00 1.91 1.78 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 2.17 2.27 0.00 84 L 8.30 4.65 0.00 1.73 1.58 0.89 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.77 4.47 0.00 2.60 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 86 S 8.05 4.71 0.00 3.88 3.82 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 87 T 7.54 5.19 4.31 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 1.22 0.00 0.00 88 L 9.33 5.17 0.00 1.66 1.22 1.11 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 89 L 8.66 5.18 0.00 1.67 1.39 0.95 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 90 F 9.45 5.08 0.00 3.00 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 9.44 4.93 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 1.06 0.00 0.00 0.98 0.00 0.00 92 S 8.98 5.36 0.00 3.93 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 93 T 8.28 4.21 4.31 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 1.25 0.00 0.00 94 A 8.14 4.48 1.21 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 0.00 0.00 95 G 8.13 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 0.00 0.00 0.00 0.00 96 S 9.37 3.90 0.00 4.00 3.94 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 0.00 0.00 0.00 97 G 8.17 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 98 T 7.57 5.09 4.33 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 1.25 0.00 0.00 99 C 9.18 5.10 0.00 2.65 2.68 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 0.00 100 L 8.86 5.10 0.00 1.71 1.49 0.96 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 101 A 9.34 5.26 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 0.00 102 V 9.04 4.83 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 1.14 0.00 0.00 0.94 0.00 0.00 103 L 8.54 5.37 0.00 1.70 1.58 0.93 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.87 5.09 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 0.00 105 G 9.22 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.57 4.29 0.00 1.96 2.08 0.00 3.32 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.59 0.00 107 E 7.96 4.04 0.00 1.68 1.61 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 0.00 2.22 2.23 0.00 108 A 7.65 4.19 1.38 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 0.00 0.00 0.00 109 D 8.54 4.57 0.00 2.77 2.58 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.57 4.19 1.48 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 0.00 111 A 8.68 3.93 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 0.00 112 V 8.05 3.56 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 1.14 0.00 0.00 0.96 0.00 0.00 113 L 8.14 3.95 0.00 1.49 1.47 0.79 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 114 G 7.35 3.60 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 0.00 0.00 0.00 0.00 115 Y 7.78 4.27 0.00 2.95 3.14 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.05 3.75 0.00 1.91 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 2.61 2.50 0.00 *118 A 7.88 4.01 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 *120 L 7.98 4.13 0.00 1.75 1.64 0.87 0.79 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 0.00 121 V 7.81 3.58 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 0.91 0.00 0.00 122 K 7.89 4.02 0.00 1.75 1.84 0.00 1.73 0.00 0.00 1.74 0.00 0.00 3.09 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.45 1.58 7.81 123 S 7.83 4.34 0.00 4.07 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 0.00 124 V 8.12 4.12 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 0.87 0.00 0.00 1.03 0.00 0.00 125 R 7.53 3.91 0.00 1.97 2.03 0.00 3.08 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 126 P 0.00 4.18 0.00 1.53 1.89 0.00 3.90 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 2.07 0.00 127 Y 7.81 4.21 0.00 3.12 3.02 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 0.00 128 L 7.64 4.22 0.00 1.83 1.61 0.96 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.