NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 15 A 4.2456 8.1114 123.5673 52.3503 20.7340 178.6283 16 G 3.6050 8.1421 102.5383 47.7904 0.0000 173.2108 17 I 3.6974 8.0032 121.4889 63.7438 38.2056 175.8219 18 T 3.8892 7.0143 117.1472 62.6539 68.9413 175.0045 19 G 3.6156 7.3446 113.1127 45.2991 0.0000 170.4902 20 T 4.8515 7.5059 116.1068 61.6850 70.7662 174.1685 21 W 5.5267 8.8459 124.8366 55.2205 33.9188 173.8661 22 Y 6.0980 9.7065 119.3829 55.4104 42.0960 174.6195 23 N 5.7228 8.9688 119.1946 50.1660 40.1612 175.5470 24 Q 4.1010 8.6472 116.1910 58.5859 28.6456 177.2990 25 L 4.1916 8.1988 117.6942 55.4634 42.0825 177.6795 26 G 4.0307 8.3335 106.8063 45.0549 0.0000 173.8075 27 S 4.6647 8.2472 115.3524 58.5992 64.5701 173.0029 28 T 4.8374 9.1446 119.5586 61.6985 71.3483 173.0461 29 F 5.0717 8.9725 128.4420 56.4106 42.3839 173.4556 30 I 4.6518 8.4982 128.0215 59.3678 39.3621 175.2587 31 V 4.5739 8.1289 125.8753 60.0517 35.4133 174.3942 32 T 4.6927 8.7271 118.6995 61.7054 71.8213 172.6450 33 A 4.7573 8.7976 129.2994 50.5420 20.0329 177.3178 34 G 3.9345 9.3403 112.3538 44.2308 0.0000 174.7183 35 A 4.1452 8.5140 122.9222 54.2509 18.5155 178.2394 36 D 4.5399 8.1225 113.7443 53.2289 39.9901 177.2274 37 G 3.2117 8.3198 108.4945 45.2229 0.0000 172.9936 38 A 4.8593 7.8525 121.5212 51.1105 20.5425 177.0422 39 L 5.3336 9.0234 120.5616 53.1647 45.2069 175.9723 40 T 4.9429 8.8583 112.4108 59.7001 72.7337 174.5936 41 G 4.1698 7.7987 107.5699 46.3070 0.0000 171.0420 42 T 5.2494 7.4782 109.0538 60.2620 73.0007 172.3550 43 Y 5.1014 9.3692 123.8346 55.9378 42.4107 174.0618 44 E 5.2079 9.3915 126.3164 54.7944 32.6237 174.7044 45 S 5.1019 9.2598 119.8243 57.3169 63.0653 174.0691 46 A 4.2546 8.8913 129.8870 53.8121 18.7501 177.2767 47 V 4.3477 7.3076 107.5733 60.1658 35.2924 175.9140 48 G 3.5009 8.3676 107.8132 45.0107 0.0000 173.2494 49 N 4.6019 8.0454 114.4559 51.7698 37.4403 174.4841 50 A 5.3808 7.8035 122.9487 49.5453 22.8974 175.4938 51 E 4.6553 9.1288 114.9001 56.5642 32.0759 176.8265 52 S 3.8638 8.6293 116.4874 57.5168 61.8364 168.9114 53 R 5.0642 8.1941 114.8812 55.5006 31.4749 175.2954 54 Y 4.8565 8.8342 117.2014 55.9425 41.9378 175.3426 55 V 4.1826 8.6247 122.9468 62.9141 32.3355 175.0228 56 L 5.2221 8.5112 126.9641 54.5026 43.5041 175.6234 57 T 4.8936 8.6456 113.6305 61.3338 71.4455 172.8827 58 G 4.6519 8.9185 113.6506 46.0644 0.0000 171.6655 59 R 5.5777 8.9091 117.4872 54.8035 34.5984 174.3933 60 Y 5.2572 8.6814 118.8561 55.3683 42.0874 174.5313 61 D 4.3427 9.1059 120.5642 53.8951 40.6102 176.7153 62 S 4.2948 8.1476 120.5856 58.9337 63.9811 174.6458 63 A 4.6597 7.9743 123.5625 50.4404 18.8815 173.4576 64 P 5.1848 0.0000 0.0000 60.9170 32.6905 176.5414 65 A 3.8933 7.9539 122.8766 54.1007 18.2640 177.8014 *69 S 4.2116 8.0774 111.7300 57.0097 64.7827 174.4221 70 G 3.9668 8.5156 111.2139 46.4957 0.0000 172.5665 71 T 4.8334 8.9765 117.0172 61.5268 70.3517 174.6733 72 A 4.7986 8.7117 129.3896 52.1233 19.9478 175.9702 73 L 5.0885 8.8864 121.0676 55.4552 44.7406 174.0635 74 G 5.0596 9.0733 104.3294 45.9166 0.0000 172.4492 75 W 5.7305 8.0093 116.5716 55.6308 31.7582 173.2994 76 T 5.2254 9.2552 117.4488 61.9299 72.2031 173.3590 77 V 4.6184 8.5016 123.2104 61.1600 34.7586 173.8121 78 A 4.4890 8.3312 129.8829 49.6132 19.9488 178.2221 79 W 4.1687 8.2500 126.0915 55.5145 27.6504 176.4361 80 K 5.2229 7.8291 118.2818 54.9634 35.1405 174.4352 81 N 4.9828 8.9137 124.3560 51.9287 39.6042 173.5828 82 N 4.2987 8.5228 113.5750 55.5000 38.9442 175.2193 83 Y 4.6224 8.0233 115.0731 58.8038 39.9096 176.0285 84 R 4.7556 7.8949 116.0585 54.7379 34.3655 173.5961 85 N 5.1988 8.5519 117.3147 52.4634 40.8197 173.8959 86 A 4.3323 9.0870 128.6508 51.7383 20.2288 176.0435 87 H 4.1400 8.1024 113.2834 55.7428 26.7938 173.1472 88 S 5.1842 7.2802 111.9969 57.8127 66.8609 174.9792 89 A 4.9335 9.0421 121.3989 50.7175 22.8438 175.1657 90 T 4.8872 8.6402 118.3938 61.6760 71.7917 173.3127 91 T 4.9085 8.4590 116.0389 59.5998 71.6764 172.7382 92 W 4.9030 8.8497 126.1966 54.6950 31.6106 174.7555 93 S 4.9480 8.9896 119.9414 56.8707 64.6403 172.9349 94 G 4.5924 8.7448 113.7644 47.3086 0.0000 171.5914 95 Q 5.3588 8.4614 117.1307 55.0182 32.1272 173.3250 96 Y 5.0277 9.3916 123.3540 56.8055 40.8360 174.3443 97 V 4.2149 8.6899 126.0108 60.9319 34.4412 175.4746 98 G 4.0065 8.1236 115.8455 45.4074 0.0000 170.6409 99 G 3.7974 8.7240 104.0985 44.2637 0.0000 172.9431 100 A 4.0458 8.6724 122.9481 54.9499 18.5270 179.2136 101 E 4.3767 7.7168 117.9633 54.4125 28.5933 174.3368 102 A 4.5163 8.0366 128.9462 52.8790 20.0001 176.3637 103 R 5.4221 9.3261 120.1988 54.7296 35.5423 174.5089 104 I 4.9255 8.8999 122.1481 59.9061 40.0752 174.3148 105 N 5.3782 9.0886 126.2172 52.2345 39.9578 174.8230 106 T 5.3438 9.1765 113.2054 60.1581 73.3454 172.6521 107 Q 4.8823 9.3865 120.7715 53.8441 32.8580 174.7269 108 W 5.3934 8.4293 119.0288 54.6033 32.2937 173.8868 109 L 5.2244 8.7140 120.5473 52.9544 44.7046 175.2083 110 L 4.9507 9.1707 126.4788 53.8348 44.1591 174.8293 111 T 5.0126 8.7858 124.1473 62.1117 70.7015 174.0855 112 S 5.0896 8.6185 122.4058 56.5445 64.9892 174.4285 113 G 3.8963 8.8454 112.4705 46.5654 0.0000 172.9989 114 T 4.7794 8.2530 113.6350 59.7037 72.1165 173.1616 115 T 4.4632 8.0682 111.9162 60.8891 69.5381 175.3869 116 E 3.9720 8.7571 120.7966 59.5306 29.0888 179.5114 117 A 4.1456 8.0073 119.6018 54.5560 18.8139 178.2512 118 N 4.6255 7.7899 112.1742 53.2423 39.0556 176.8749 119 A 4.2493 7.9761 125.7905 54.2580 18.1682 179.9840 120 W 4.3616 8.3006 114.4657 58.4961 28.1509 176.7824 121 K 4.1903 6.4345 117.9323 56.0077 32.4424 177.4515 122 S 4.2000 7.7908 116.4177 61.0266 63.6600 173.3956 123 T 5.0484 7.6473 117.2415 61.6542 70.6325 173.7788 124 L 4.7476 8.9418 127.0698 53.5680 43.9787 176.0887 125 V 4.4104 7.7913 120.1500 60.3528 34.6035 175.0495 126 G 3.0424 6.5968 107.8308 45.8861 0.0000 171.0821 127 H 5.3298 7.9849 114.1365 54.2410 31.5353 172.7064 128 D 5.3002 9.1786 120.8518 52.8800 45.1405 174.6600 129 T 5.1659 8.7644 118.4546 61.9221 71.6945 172.9201 130 F 5.4680 9.6086 125.8001 56.3286 41.4978 174.8456 131 T 5.2453 9.5161 120.3870 61.6549 71.1289 173.4479 132 K 3.7175 8.2838 126.9741 55.7035 32.9669 177.2209 133 V 3.9526 8.1458 120.0654 61.5155 31.7207 175.6634 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 15 A 8.11 4.25 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 16 G 8.14 3.61 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 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.00 3.70 1.31 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.47 -0.36 0.49 0.00 0.00 18 T 7.01 3.89 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 1.14 0.00 0.00 19 G 7.34 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 0.00 0.00 0.00 20 T 7.51 4.85 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 0.82 0.00 0.00 21 W 8.85 5.53 0.00 3.29 3.32 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 22 Y 9.71 6.10 0.00 2.95 2.92 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.97 5.72 0.00 2.30 1.64 0.00 0.00 6.49 7.49 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 24 Q 8.65 4.10 0.00 2.21 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 7.04 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 25 L 8.20 4.19 0.00 1.91 1.82 1.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 26 G 8.33 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 27 S 8.25 4.66 0.00 4.11 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 28 T 9.14 4.84 4.35 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 1.01 0.00 0.00 29 F 8.97 5.07 0.00 2.49 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 30 I 8.50 4.65 1.71 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 1.09 0.35 0.75 0.00 0.00 31 V 8.13 4.57 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.48 0.00 0.00 32 T 8.73 4.69 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 1.14 0.00 0.00 33 A 8.80 4.76 0.55 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 0.00 0.00 34 G 9.34 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 35 A 8.51 4.15 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 36 D 8.12 4.54 0.00 2.77 2.77 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 37 G 8.32 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 0.00 0.00 0.00 38 A 7.85 4.86 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 39 L 9.02 5.33 0.00 1.75 1.51 1.15 0.54 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 40 T 8.86 4.94 4.21 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 1.21 0.00 0.00 41 G 7.80 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 0.00 0.00 0.00 0.00 42 T 7.48 5.25 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 1.21 0.00 0.00 43 Y 9.37 5.10 0.00 3.04 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 44 E 9.39 5.21 0.00 1.92 1.93 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 2.28 2.37 0.00 45 S 9.26 5.10 0.00 4.38 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 46 A 8.89 4.25 1.37 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 0.00 0.00 47 V 7.31 4.35 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 0.72 0.00 0.00 0.84 0.00 0.00 48 G 8.37 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.05 4.60 0.00 2.64 2.68 0.00 0.00 6.53 7.96 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 50 A 7.80 5.38 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 51 E 9.13 4.66 0.00 2.04 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 2.29 2.24 0.00 52 S 8.63 3.86 0.00 3.80 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 53 R 8.19 5.06 0.00 1.93 2.08 0.00 3.22 0.00 0.00 3.25 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.67 0.00 54 Y 8.83 4.86 0.00 3.01 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 55 V 8.62 4.18 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 0.81 0.00 0.00 0.95 0.00 0.00 56 L 8.51 5.22 0.00 1.95 1.67 0.86 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 57 T 8.65 4.89 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 1.25 0.00 0.00 58 G 8.92 4.65 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 0.00 0.00 0.00 59 R 8.91 5.58 0.00 1.77 1.79 0.00 3.30 0.00 0.00 3.25 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 60 Y 8.68 5.26 0.00 2.98 2.90 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 61 D 9.11 4.34 0.00 2.80 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 62 S 8.15 4.29 0.00 3.88 3.41 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 63 A 7.97 4.66 1.22 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 0.00 0.00 64 P 0.00 5.18 0.00 2.28 2.19 0.00 3.44 0.00 0.00 4.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.06 0.00 65 A 7.95 3.89 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 *69 S 8.08 4.21 0.00 3.93 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 70 G 8.52 3.97 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 0.00 0.00 0.00 71 T 8.98 4.83 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 1.49 0.00 0.00 72 A 8.71 4.80 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 73 L 8.89 5.09 0.00 2.10 1.96 0.97 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 74 G 9.07 5.06 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 75 W 8.01 5.73 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 76 T 9.26 5.23 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 1.18 0.00 0.00 77 V 8.50 4.62 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.38 0.00 0.00 0.88 0.00 0.00 78 A 8.33 4.49 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 0.00 0.00 0.00 0.00 0.00 0.00 79 W 8.25 4.17 0.00 3.33 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 80 K 7.83 5.22 0.00 1.93 1.75 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.14 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.37 1.53 7.81 81 N 8.91 4.98 0.00 2.63 2.47 0.00 0.00 7.09 7.58 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 82 N 8.52 4.30 0.00 1.86 2.33 0.00 0.00 6.64 7.46 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 83 Y 8.02 4.62 0.00 2.99 3.01 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 84 R 7.89 4.76 0.00 2.05 1.88 0.00 3.40 0.00 0.00 3.45 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 85 N 8.55 5.20 0.00 2.63 2.57 0.00 0.00 6.91 7.96 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 86 A 9.09 4.33 1.28 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 0.00 0.00 87 H 8.10 4.14 0.00 3.39 3.31 0.00 5.66 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 88 S 7.28 5.18 0.00 4.01 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 89 A 9.04 4.93 1.14 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 90 T 8.64 4.89 3.55 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 -0.75 0.00 0.00 91 T 8.46 4.91 4.15 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 1.14 0.00 0.00 92 W 8.85 4.90 0.00 1.78 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 0.00 0.00 0.00 0.00 93 S 8.99 4.95 0.00 3.77 3.65 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 94 G 8.74 4.59 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 95 Q 8.46 5.36 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.94 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 96 Y 9.39 5.03 0.00 3.04 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 97 V 8.69 4.21 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 0.93 0.00 0.00 0.92 0.00 0.00 98 G 8.12 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 0.00 0.00 0.00 99 G 8.72 3.80 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 0.00 0.00 0.00 100 A 8.67 4.05 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 0.00 101 E 7.72 4.38 0.00 2.13 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 0.00 2.23 2.31 0.00 102 A 8.04 4.52 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 9.33 5.42 0.00 1.78 1.93 0.00 3.39 0.00 0.00 3.56 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.84 0.00 104 I 8.90 4.93 1.83 0.00 0.00 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 -0.25 1.06 0.00 0.00 105 N 9.09 5.38 0.00 2.74 2.82 0.00 0.00 6.13 6.33 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 0.00 106 T 9.18 5.34 4.46 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 1.42 0.00 0.00 107 Q 9.39 4.88 0.00 1.88 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.12 6.74 0.00 0.00 0.00 0.00 0.00 2.20 2.26 0.00 108 W 8.43 5.39 0.00 2.61 2.33 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 0.00 109 L 8.71 5.22 0.00 1.52 1.54 0.87 0.30 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 0.00 110 L 9.17 4.95 0.00 1.56 1.70 0.97 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 111 T 8.79 5.01 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 1.19 0.00 0.00 112 S 8.62 5.09 0.00 3.69 3.74 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 0.00 113 G 8.85 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 0.00 0.00 0.00 114 T 8.25 4.78 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 1.15 0.00 0.00 115 T 8.07 4.46 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 1.20 0.00 0.00 116 E 8.76 3.97 0.00 2.02 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 2.41 2.34 0.00 117 A 8.01 4.15 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 0.00 118 N 7.79 4.63 0.00 2.68 2.68 0.00 0.00 6.86 7.41 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 0.00 119 A 7.98 4.25 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 0.00 120 W 8.30 4.36 0.00 3.62 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 0.00 121 K 6.43 4.19 0.00 1.18 0.74 0.00 0.61 0.00 0.00 1.34 0.00 0.00 2.66 0.00 0.00 3.14 0.00 0.00 0.00 0.00 0.82 0.78 7.81 122 S 7.79 4.20 0.00 4.19 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 0.00 123 T 7.65 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 1.19 0.00 0.00 124 L 8.94 4.75 0.00 1.82 1.73 0.98 0.87 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 0.00 125 V 7.79 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 0.56 0.00 0.00 0.72 0.00 0.00 126 G 6.60 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 0.00 0.00 0.00 127 H 7.98 5.33 0.00 3.19 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 D 9.18 5.30 0.00 3.10 2.34 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 0.00 129 T 8.76 5.17 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 1.40 0.00 0.00 130 F 9.61 5.47 0.00 3.09 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 0.00 131 T 9.52 5.25 4.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 132 K 8.28 3.72 0.00 0.79 1.19 0.00 1.13 0.00 0.00 1.36 0.00 0.00 2.58 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.80 0.21 7.81 133 V 8.15 3.95 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 1.00 0.00 0.00 1.09 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.