NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *0 M 4.4151 8.3044 118.7877 52.7894 34.2477 174.2724 1 E 4.5826 7.7395 120.3438 52.3967 31.6663 174.7038 2 T 4.2589 8.9538 117.2357 60.7469 71.2474 175.1668 3 V 3.5438 8.5241 122.0362 66.6738 31.0129 177.9135 4 Q 4.0402 7.4290 116.5434 59.5870 28.9941 178.0721 5 D 4.5113 8.3538 119.9171 57.4163 40.7837 178.1632 6 C 4.3983 8.0336 116.7980 59.8991 40.2262 175.3857 7 E 3.9349 8.2298 118.2507 58.1232 29.1002 177.8259 8 N 4.7485 7.5576 115.5080 53.1862 39.1563 175.2910 9 K 4.3011 7.7114 119.1567 55.9636 33.8542 175.4651 10 L 3.7393 8.0063 120.0470 54.3748 41.8013 174.6396 11 P 4.2043 0.0000 0.0000 62.5878 32.2299 175.5697 12 P 3.9878 0.0000 0.0000 66.0814 30.9552 178.8189 13 S 4.2176 8.0956 111.5892 61.0144 62.9846 175.6294 14 L 4.3799 8.5605 122.2320 55.9346 41.9290 178.6633 15 K 3.9469 7.5076 118.1357 58.9389 32.1625 178.1650 16 S 4.4630 7.9641 112.0666 59.2325 63.7491 174.5621 17 R 4.5986 7.8871 122.4598 55.8263 30.7674 177.6039 18 L 3.9256 8.1405 122.3434 58.7902 41.7501 179.3309 19 C 4.2869 8.1132 115.7384 59.8287 41.2544 175.6254 20 E 4.3642 8.0610 121.1054 58.9410 29.1236 179.3655 21 I 3.7068 7.5329 119.0439 64.5289 37.0630 178.6367 22 R 3.9662 7.9376 116.5242 57.8872 29.9662 178.1018 23 R 4.3322 7.2720 116.5228 55.7248 30.4041 176.2700 24 Y 3.7195 7.6713 115.8479 58.4631 36.1103 169.2395 25 E 4.2051 8.1578 120.4213 56.2787 30.1326 176.2243 26 I 4.5433 8.1894 123.8304 60.6910 38.2633 175.5971 27 I 4.6728 8.1317 124.5592 59.8279 40.9574 174.7065 28 E 4.6305 8.7882 124.2414 55.4350 31.5866 177.1498 29 G 4.1636 8.2464 113.2336 45.6343 0.0000 173.4285 30 P 5.5390 0.0000 0.0000 62.5913 31.5261 177.8597 31 E 3.8312 8.0296 119.4209 60.4477 29.5220 178.9191 32 M 4.0890 8.0589 118.0317 58.5590 31.6788 178.4190 33 D 4.5301 7.7281 119.3220 56.2687 40.5830 177.6604 34 K 4.2185 7.8462 117.5598 56.4691 33.7975 177.2342 35 H 4.2517 8.0048 118.4607 59.6536 29.8267 177.1891 36 I 3.4882 7.6838 121.6393 64.3182 36.8701 177.9141 37 H 4.2645 7.8644 119.0746 59.0548 29.5808 176.5784 38 C 4.2785 7.8343 120.1320 59.7109 43.7291 176.0773 39 V 3.5807 7.8558 113.9711 64.8067 31.2220 178.4551 40 M 4.3419 8.5379 118.7574 58.6402 31.7070 179.0845 41 R 3.9010 8.0286 117.8607 58.8413 30.1081 178.7723 42 A 3.9223 7.9311 121.0085 54.6879 18.4639 178.0446 43 L 3.9258 7.5165 113.0126 53.9767 41.7619 176.0054 44 D 4.3015 7.2251 116.6804 55.4419 39.8831 174.4841 45 F 5.0532 8.1244 117.1485 57.7949 39.8334 176.2104 46 V 4.8726 7.3710 111.8876 59.3440 35.2979 174.6088 47 Y 4.3829 8.6688 120.1992 57.0595 39.0336 176.8071 48 E 4.0407 9.0886 119.9929 60.0084 29.3747 178.6638 49 D 4.4622 8.1005 115.0989 54.4695 40.0363 176.9441 50 G 3.9948 8.6940 109.6988 45.4125 0.0000 173.1924 51 R 4.2254 8.0297 120.1392 55.1594 30.8378 176.0948 52 G 2.3905 7.7952 113.4521 45.3245 0.0000 172.7101 53 D 4.7932 8.5841 123.3514 52.3387 41.0596 175.9766 54 Y 4.0970 8.8257 129.1505 61.0691 38.7665 178.1556 55 H 4.7203 8.7341 115.1651 57.8434 29.1778 177.3442 56 K 4.2973 8.1931 117.8250 58.2177 31.9894 178.0883 57 L 4.5742 7.7676 118.1272 55.6108 43.5891 177.4646 58 Y 3.8292 7.8696 119.4794 60.9869 38.5515 178.2753 59 D 4.2828 8.1959 118.7088 56.9005 41.0049 176.6339 60 P 4.2033 0.0000 0.0000 65.6541 31.2654 178.3659 61 L 3.7808 7.9788 117.7628 58.1103 41.4854 179.6050 62 N 4.4989 7.7046 117.3462 55.6048 38.1194 177.6442 63 I 3.7882 7.7147 121.0357 64.3528 37.2248 178.1808 64 I 4.1846 7.2649 119.8470 62.6452 37.0975 175.9056 65 E 4.2758 8.3569 122.0448 54.0994 31.0124 173.8553 66 L 4.3055 8.3470 128.6807 54.4386 42.4258 175.9766 67 D 4.5018 9.0096 125.9847 51.6888 44.0765 176.0851 68 K 4.0357 8.8212 126.9121 60.1364 32.2575 179.1674 69 R 3.6585 8.8789 119.5907 59.1270 29.7285 178.5556 70 H 4.2017 7.8587 117.7460 58.2116 28.6557 176.7848 71 D 4.6045 7.6720 119.4637 57.6822 40.9456 178.4837 72 V 3.6376 7.8992 117.7567 66.3714 31.4244 177.5844 73 N 4.3255 8.4658 116.2617 56.1814 38.2902 177.4264 74 L 4.0717 8.2721 120.7065 57.8519 41.7447 179.4128 75 E 4.0567 8.5240 118.4633 59.3269 29.6020 179.0437 76 K 3.8651 8.3252 119.9170 60.1717 32.2327 178.0766 77 C 4.4590 8.6385 116.7010 59.8425 39.9330 176.1269 78 I 3.7851 8.1652 121.1911 64.0984 36.8500 178.1431 79 G 3.9473 8.2812 106.6597 48.2047 0.0000 175.5501 80 E 4.0654 8.1623 121.5004 58.9128 29.3154 179.0884 81 C 4.3910 8.1241 112.9459 60.5269 29.7908 175.4417 82 V 3.8753 7.3929 120.1057 64.8540 31.2334 176.1926 83 Q 4.4398 7.5450 115.1696 55.5854 28.7108 175.3064 84 V 4.5401 7.2489 110.6915 58.4579 35.0619 173.6163 85 P 4.4794 0.0000 0.0000 62.6987 31.6795 177.6650 86 T 4.1364 8.4007 114.3467 63.6694 67.4232 175.0925 87 S 4.4648 7.9402 113.9551 59.8708 64.1275 174.7579 88 E 4.5351 8.1477 120.4550 56.2239 29.9058 177.4371 89 R 3.9341 7.9128 118.1754 60.2273 30.4587 177.5659 90 A 4.7415 8.2061 121.4441 55.1011 18.1990 178.9446 91 H 4.4253 8.3357 116.0749 59.2533 29.9602 177.6028 92 V 3.6327 8.0772 120.3615 65.7663 31.3889 177.6927 93 F 4.2494 8.5611 120.5645 61.7458 39.2339 175.9498 94 Y 3.9124 8.2540 118.8910 60.8574 38.5839 178.0902 95 K 3.7392 8.7193 119.1124 59.9073 32.4080 178.5149 96 C 4.2087 8.3349 118.5279 59.5488 43.3053 175.6000 97 L 3.5903 7.1440 119.6178 57.6724 41.3840 179.2386 98 L 3.9916 7.4834 118.8301 57.5712 41.2459 179.7263 99 K 4.1100 7.7047 117.9753 58.2143 32.3952 177.6194 100 S 4.4310 7.3437 113.7511 57.3781 63.9067 175.0331 101 T 3.9569 8.1543 109.9303 64.3018 68.4870 175.5900 102 T 4.0861 7.8146 118.5937 65.1214 69.1365 176.6089 103 G 3.7322 8.0085 110.8258 47.0130 0.0000 175.3460 104 R 3.7718 7.8989 120.7901 59.6818 29.9546 178.4340 105 T 3.7666 7.6709 114.4462 65.8405 68.6821 176.5962 106 F 4.1074 8.6443 123.1225 61.3957 39.2755 177.1287 107 K 2.9818 7.6541 117.7801 59.2295 31.6213 179.4603 108 K 3.7410 7.0870 118.2130 59.3054 31.8538 179.6023 109 V 3.5355 7.7517 118.6692 65.8200 31.3982 177.6644 110 F 4.1636 8.4104 120.7041 61.5121 39.2432 176.4532 111 D 4.7538 8.6319 118.5381 57.8356 40.8100 179.2274 112 L 3.7586 8.2933 119.1961 58.0880 41.6245 179.3993 113 M 4.1327 8.3384 118.1767 58.1752 32.1851 177.8377 114 E 3.8129 8.2706 119.7214 59.4095 29.8560 178.9460 115 L 3.9329 7.9526 118.9000 57.3115 41.7671 179.4709 116 K 4.0721 8.5098 119.0213 59.7081 31.8527 179.5591 117 K 4.0076 7.9427 116.6979 58.9545 32.0033 178.7399 118 A 4.2949 7.6506 119.1891 52.5538 18.5538 178.1553 119 G 3.8470 7.7265 104.8761 46.0488 0.0000 174.7709 120 K 4.3550 8.0700 119.7800 56.9346 32.7082 177.3806 121 V 4.5573 7.2398 116.7493 59.0789 34.4552 172.7940 122 P 4.5853 0.0000 0.0000 62.2593 32.1530 177.3479 123 Q 4.0021 8.6504 118.0162 58.7524 28.6656 177.2568 124 H 4.6952 8.1276 110.7487 54.7145 29.0371 174.5961 125 Q 3.6280 7.4183 121.0984 57.2834 28.9976 176.8382 126 R 4.4666 8.0795 123.2528 54.6271 32.3748 176.5218 127 Y 4.0454 8.1370 121.4216 56.8815 37.1159 174.8984 128 T 4.5293 7.5262 115.7573 59.0486 72.8718 175.0930 129 A 3.9381 8.3394 122.1459 55.3220 18.1758 179.2513 130 E 3.8227 8.1458 117.1869 59.4959 29.6873 178.6567 131 F 3.9865 8.0380 120.5960 61.0989 39.3014 177.0830 132 V 3.2700 7.5938 117.8535 66.0776 31.2765 177.8373 133 Q 3.8670 7.7287 118.8746 59.1497 28.9059 178.0984 134 I 3.6003 7.7120 121.1623 64.5951 37.0833 178.0985 135 M 3.8778 7.6404 118.9893 58.2931 32.0325 178.3641 136 K 3.9835 8.1040 118.8649 59.6638 32.2067 179.0787 137 D 4.3642 8.2806 119.1769 57.1654 40.2494 178.0551 138 Y 3.8837 7.9326 120.0348 60.9571 38.8097 178.0785 139 D 4.6042 8.6860 120.1148 57.3116 40.9438 178.7873 140 K 3.9268 8.1327 119.9029 59.2173 31.9665 178.5867 141 A 4.0983 7.8511 119.9865 53.8465 18.2368 178.3958 142 L 4.3727 6.7663 116.3353 53.9622 41.9743 176.1016 143 N 4.3815 7.8621 115.8683 54.4407 37.8338 173.5293 144 C 4.6027 8.2298 119.3633 56.5995 41.8950 173.8739 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 *0 M 8.30 4.42 0.00 2.05 1.95 0.00 0.00 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.11 0.00 1 E 7.74 4.58 0.00 1.96 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 0.00 2.18 2.48 0.00 2 T 8.95 4.26 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 1.21 0.00 0.00 3 V 8.52 3.54 2.14 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 1.19 0.00 0.00 0.94 0.00 0.00 4 Q 7.43 4.04 0.00 2.15 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.76 0.00 0.00 0.00 0.00 0.00 2.40 2.44 0.00 5 D 8.35 4.51 0.00 2.99 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 6 C 8.03 4.40 0.00 3.16 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 7 E 8.23 3.93 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 8 N 7.56 4.75 0.00 2.86 2.85 0.00 0.00 6.83 7.48 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 9 K 7.71 4.30 0.00 1.76 1.84 0.00 1.77 0.00 0.00 1.65 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.39 1.56 7.81 10 L 8.01 3.74 0.00 1.69 1.61 0.65 0.76 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 11 P 0.00 4.20 0.00 2.20 1.99 0.00 3.67 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.15 0.00 12 P 0.00 3.99 0.00 2.14 2.14 0.00 3.60 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.18 0.00 13 S 8.10 4.22 0.00 4.02 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 14 L 8.56 4.38 0.00 1.73 1.69 0.90 0.44 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 15 K 7.51 3.95 0.00 1.82 1.82 0.00 1.78 0.00 0.00 1.74 0.00 0.00 3.04 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.43 1.42 7.81 16 S 7.96 4.46 0.00 4.05 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 17 R 7.89 4.60 0.00 1.83 2.17 0.00 3.14 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.51 0.00 18 L 8.14 3.93 0.00 1.86 1.65 0.96 0.94 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 19 C 8.11 4.29 0.00 3.00 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 20 E 8.06 4.36 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 2.50 2.27 0.00 21 I 7.53 3.71 1.95 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.74 0.91 0.00 0.00 22 R 7.94 3.97 0.00 1.78 1.92 0.00 3.32 0.00 0.00 3.23 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.77 0.00 23 R 7.27 4.33 0.00 2.00 1.99 0.00 3.26 0.00 0.00 3.24 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.81 0.00 24 Y 7.67 3.72 0.00 3.06 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 25 E 8.16 4.21 0.00 2.24 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 2.36 2.32 0.00 26 I 8.19 4.54 1.92 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.78 0.99 0.00 0.00 27 I 8.13 4.67 1.93 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 1.45 0.75 0.94 0.00 0.00 28 E 8.79 4.63 0.00 1.99 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 2.31 2.27 0.00 29 G 8.25 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 30 P 0.00 5.54 0.00 2.30 2.30 0.00 3.89 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 2.06 1.92 0.00 31 E 8.03 3.83 0.00 2.04 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 2.41 2.41 0.00 32 M 8.06 4.09 0.00 2.07 2.08 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.60 0.00 33 D 7.73 4.53 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 34 K 7.85 4.22 0.00 2.01 1.76 0.00 1.59 0.00 0.00 1.73 0.00 0.00 2.93 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.50 7.81 35 H 8.00 4.25 0.00 3.24 3.25 0.00 5.83 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 36 I 7.68 3.49 1.71 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.21 0.57 0.00 0.00 37 H 7.86 4.26 0.00 3.37 3.30 0.00 5.59 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 7.83 4.28 0.00 3.23 3.27 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 0.00 39 V 7.86 3.58 2.29 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 0.72 0.00 0.00 1.03 0.00 0.00 40 M 8.54 4.34 0.00 2.25 2.34 0.00 0.00 0.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 3.05 0.00 41 R 8.03 3.90 0.00 2.08 1.94 0.00 3.34 0.00 0.00 3.35 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.71 0.00 42 A 7.93 3.92 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 43 L 7.52 3.93 0.00 0.76 0.49 -0.28 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.23 4.30 0.00 2.57 2.57 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.12 5.05 0.00 3.42 3.22 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 0.00 46 V 7.37 4.87 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 0.93 0.00 0.00 0.94 0.00 0.00 47 Y 8.67 4.38 0.00 3.18 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 48 E 9.09 4.04 0.00 2.04 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 2.38 2.40 0.00 49 D 8.10 4.46 0.00 2.82 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 50 G 8.69 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 0.00 0.00 0.00 51 R 8.03 4.23 0.00 1.98 1.84 0.00 3.13 0.00 0.00 3.29 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.55 0.00 52 G 7.80 2.39 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 0.00 0.00 0.00 0.00 53 D 8.58 4.79 0.00 2.42 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 54 Y 8.83 4.10 0.00 3.00 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 55 H 8.73 4.72 0.00 3.47 3.45 0.00 5.71 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.19 4.30 0.00 2.05 2.16 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.79 1.83 7.81 57 L 7.77 4.57 0.00 1.61 1.55 0.86 0.46 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 58 Y 7.87 3.83 0.00 2.65 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 59 D 8.20 4.28 0.00 2.82 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 60 P 0.00 4.20 0.00 2.15 2.13 0.00 3.67 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 2.45 2.23 0.00 61 L 7.98 3.78 0.00 1.47 1.06 0.73 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 62 N 7.70 4.50 0.00 2.52 2.68 0.00 0.00 6.57 7.48 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 63 I 7.71 3.79 1.83 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 1.51 0.55 0.89 0.00 0.00 64 I 7.26 4.18 1.76 0.00 0.00 0.76 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 0.55 0.81 0.00 0.00 65 E 8.36 4.28 0.00 1.91 1.79 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 2.17 2.25 0.00 66 L 8.35 4.31 0.00 1.60 1.56 0.93 1.21 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 67 D 9.01 4.50 0.00 2.57 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 0.00 0.00 0.00 0.00 68 K 8.82 4.04 0.00 2.04 2.07 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.54 7.81 69 R 8.88 3.66 0.00 1.84 1.94 0.00 3.08 0.00 0.00 3.13 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.67 0.00 70 H 7.86 4.20 0.00 3.01 3.17 0.00 5.65 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 71 D 7.67 4.60 0.00 3.15 3.04 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 72 V 7.90 3.64 2.21 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 1.12 0.00 0.00 1.02 0.00 0.00 73 N 8.47 4.33 0.00 2.76 2.77 0.00 0.00 7.11 6.98 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 74 L 8.27 4.07 0.00 1.93 1.77 0.45 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 75 E 8.52 4.06 0.00 2.21 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 2.78 2.56 0.00 76 K 8.33 3.87 0.00 1.82 2.06 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 77 C 8.64 4.46 0.00 3.12 3.16 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 78 I 8.17 3.79 2.01 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.71 0.89 0.00 0.00 79 G 8.28 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 80 E 8.16 4.07 0.00 2.13 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 0.00 2.36 2.64 0.00 81 C 8.12 4.39 0.00 3.48 3.37 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.39 3.88 2.29 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 0.85 0.00 0.00 0.98 0.00 0.00 83 Q 7.55 4.44 0.00 2.11 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.47 0.00 0.00 0.00 0.00 0.00 2.35 2.57 0.00 84 V 7.25 4.54 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 0.78 0.00 0.00 1.03 0.00 0.00 85 P 0.00 4.48 0.00 2.20 1.98 0.00 3.62 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 2.13 2.08 0.00 86 T 8.40 4.14 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 1.22 0.00 0.00 87 S 7.94 4.46 0.00 4.02 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 88 E 8.15 4.54 0.00 2.08 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 2.27 2.52 0.00 89 R 7.91 3.93 0.00 2.14 2.10 0.00 3.33 0.00 0.00 3.37 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.00 0.00 90 A 8.21 4.74 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 91 H 8.34 4.43 0.00 3.43 3.60 0.00 5.69 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 8.08 3.63 2.29 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 1.08 0.00 0.00 1.00 0.00 0.00 93 F 8.56 4.25 0.00 3.16 3.34 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 94 Y 8.25 3.91 0.00 3.38 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 95 K 8.72 3.74 0.00 2.04 1.86 0.00 1.70 0.00 0.00 1.53 0.00 0.00 2.29 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.57 1.80 7.81 96 C 8.33 4.21 0.00 3.02 3.19 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 0.00 97 L 7.14 3.59 0.00 1.04 0.82 -0.68 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.48 3.99 0.00 1.61 1.55 0.06 0.68 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 99 K 7.70 4.11 0.00 1.83 1.82 0.00 1.66 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.54 7.81 100 S 7.34 4.43 0.00 4.10 4.01 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.15 3.96 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 1.17 0.00 0.00 102 T 7.81 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 1.09 0.00 0.00 103 G 8.01 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 0.00 0.00 0.00 104 R 7.90 3.77 0.00 1.81 1.88 0.00 3.12 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 1.59 1.66 0.00 105 T 7.67 3.77 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 1.06 0.00 0.00 106 F 8.64 4.11 0.00 2.78 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 0.00 107 K 7.65 2.98 0.00 1.61 1.31 0.00 1.41 0.00 0.00 1.28 0.00 0.00 2.83 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.01 7.81 108 K 7.09 3.74 0.00 1.38 0.98 0.00 1.25 0.00 0.00 0.64 0.00 0.00 2.62 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 1.12 7.81 109 V 7.75 3.54 2.14 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 1.13 0.00 0.00 0.86 0.00 0.00 110 F 8.41 4.16 0.00 2.56 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 0.00 111 D 8.63 4.75 0.00 3.32 3.27 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 0.00 112 L 8.29 3.76 0.00 1.81 1.54 0.86 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.34 4.13 0.00 2.00 2.06 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 2.29 2.24 0.00 114 E 8.27 3.81 0.00 2.11 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 2.22 2.36 0.00 115 L 7.95 3.93 0.00 1.95 1.73 0.64 0.16 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 0.00 116 K 8.51 4.07 0.00 1.89 1.83 0.00 1.61 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.57 1.57 7.81 117 K 7.94 4.01 0.00 1.69 1.81 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.84 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.38 1.59 7.81 118 A 7.65 4.29 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 0.00 119 G 7.73 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 0.00 120 K 8.07 4.36 0.00 1.85 1.91 0.00 1.80 0.00 0.00 1.82 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.61 7.81 121 V 7.24 4.56 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 0.79 0.00 0.00 1.10 0.00 0.00 122 P 0.00 4.59 0.00 2.32 2.27 0.00 3.87 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 1.96 1.99 0.00 123 Q 8.65 4.00 0.00 2.09 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 7.12 0.00 0.00 0.00 0.00 0.00 2.37 2.30 0.00 124 H 8.13 4.70 0.00 3.26 3.37 0.00 5.56 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 7.42 3.63 0.00 2.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.65 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.13 0.00 126 R 8.08 4.47 0.00 1.79 1.82 0.00 3.26 0.00 0.00 3.15 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.68 0.00 127 Y 8.14 4.05 0.00 2.82 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 0.00 128 T 7.53 4.53 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 1.24 0.00 0.00 129 A 8.34 3.94 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 0.00 130 E 8.15 3.82 0.00 2.04 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 2.37 2.36 0.00 131 F 8.04 3.99 0.00 3.07 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 0.00 132 V 7.59 3.27 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 0.99 0.00 0.00 0.72 0.00 0.00 133 Q 7.73 3.87 0.00 2.11 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.56 0.00 0.00 0.00 0.00 0.00 2.32 2.40 0.00 134 I 7.71 3.60 1.69 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 1.37 0.87 0.78 0.00 0.00 135 M 7.64 3.88 0.00 1.96 1.41 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.64 0.00 136 K 8.10 3.98 0.00 1.95 1.82 0.00 1.68 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.59 7.81 137 D 8.28 4.36 0.00 2.69 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 0.00 138 Y 7.93 3.88 0.00 3.15 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 0.00 139 D 8.69 4.60 0.00 2.94 2.72 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 0.00 140 K 8.13 3.93 0.00 1.91 1.93 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.40 1.43 7.81 141 A 7.85 4.10 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 0.00 142 L 6.77 4.37 0.00 1.89 1.63 0.88 0.88 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 0.00 143 N 7.86 4.38 0.00 2.85 2.93 0.00 0.00 6.87 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 0.00 144 C 8.23 4.60 0.00 3.11 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 * Residues marked with a * may have inaccurate shift predictions.