NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 4 M 4.3698 8.1633 120.6002 55.3006 34.0312 173.9030 5 K 4.9201 7.9623 121.9120 53.8364 36.3145 173.4871 6 I 4.9072 8.2249 122.0265 59.4057 42.3976 173.7663 7 S 4.8445 8.4757 123.5373 57.4727 64.2532 175.4304 8 R 3.8726 9.1651 123.0968 59.2496 29.7248 179.2704 9 G 3.5466 7.4290 102.8953 47.6224 0.0000 175.5117 10 L 3.9243 7.6978 122.7800 57.7243 42.0254 178.9466 11 L 3.7205 7.6058 118.4685 57.5847 41.4386 179.4193 12 K 3.8785 8.2309 118.6775 59.7784 32.0173 179.3889 13 T 3.8282 7.7478 115.7956 66.7502 68.3969 176.6793 14 I 3.6464 7.8787 121.6651 64.3999 37.1270 178.5564 15 L 3.9552 8.1591 120.1253 57.8571 41.4336 179.4904 16 E 3.8772 8.4574 118.6650 59.1801 29.4299 179.2580 17 A 3.6660 7.8578 120.7203 54.8095 18.2038 179.5844 18 A 3.6589 7.5640 119.2734 55.0324 18.1194 179.9668 19 K 3.7786 7.4622 116.0421 59.6707 32.1788 179.2374 20 S 4.2233 7.8285 112.2236 60.7981 62.5622 175.4172 21 A 4.3708 7.8482 122.8542 52.8765 18.7251 176.7736 22 H 4.2181 7.7571 116.9144 56.6920 30.1800 172.8243 23 P 4.3627 0.0000 0.0000 62.8492 31.5353 175.8622 24 D 4.5594 7.9689 119.2168 54.2737 41.3615 175.2600 25 E 4.2947 8.4947 122.5328 55.6672 30.3363 175.4919 26 F 3.0949 8.8985 130.4039 57.1202 40.9460 174.1658 27 I 4.7470 6.4371 124.0962 59.6194 41.3325 173.2556 28 A 4.6172 8.7079 128.8823 51.2898 23.5193 174.4620 29 L 5.1582 8.6800 118.5787 53.5150 44.1164 176.4861 30 L 4.7460 8.8415 123.1674 54.3585 43.6062 175.9345 31 S 5.2528 9.2263 117.0964 55.6984 66.6626 172.7097 32 G 4.3870 7.6635 105.9478 46.6189 0.0000 171.5331 33 S 4.4455 7.9076 115.8972 57.0473 64.9932 174.5838 34 K 4.0245 8.9295 129.3630 56.3659 31.7679 174.1148 35 D 5.0273 8.3938 112.1992 52.8159 42.0227 176.4375 36 V 4.6119 7.9728 119.2748 62.0317 35.1541 173.9941 37 M 4.7564 8.7287 129.0518 54.4494 32.4790 176.1632 38 D 4.7079 8.5944 120.9416 52.8820 42.2306 174.3953 39 E 4.7402 8.6217 117.9557 55.0289 34.2954 174.2494 40 L 5.1413 8.3136 120.3451 53.0016 45.5062 176.3258 41 I 4.2164 8.2075 122.9657 59.2979 39.1862 175.2592 42 F 4.9269 8.5085 126.2360 57.6241 39.5655 174.8379 43 L 4.9289 8.7216 121.2049 52.3585 45.3913 175.5538 44 P 4.4502 0.0000 0.0000 61.7064 29.8148 175.3959 45 F 4.5308 7.5999 117.2911 57.6543 38.7074 176.5922 *59 L 4.0023 7.6341 120.7198 53.9512 42.1553 174.7746 60 P 4.2576 0.0000 0.0000 62.5409 31.8772 176.1337 61 I 3.8361 8.1793 122.7127 62.8410 37.4471 175.2709 62 G 4.0569 9.0007 113.4614 46.1618 0.0000 173.7800 63 M 4.0193 7.9229 120.1894 55.2032 32.0243 175.5731 64 K 4.1104 8.3166 125.5828 55.5215 34.2781 175.8580 65 V 4.4103 7.7509 120.7667 61.2770 32.3701 175.3891 66 F 4.6253 9.1670 127.8342 58.1664 40.1130 176.4661 67 G 4.4818 7.3913 107.8771 46.1053 0.0000 170.9854 68 T 5.3953 7.8552 112.6460 59.9736 72.8739 173.8913 69 V 5.2350 8.6772 121.1675 60.6662 35.0255 173.8049 70 H 6.1299 9.6263 118.8702 54.2453 32.4393 172.1247 71 S 5.5504 8.7498 113.2015 57.1229 65.8522 172.8740 72 H 5.3012 9.3271 118.4720 53.5420 31.3362 173.0025 73 P 4.9340 0.0000 0.0000 62.8820 31.3156 175.5565 74 S 4.8021 7.6238 113.4216 55.6270 65.7949 172.9921 75 P 5.0187 0.0000 0.0000 63.9284 31.1634 176.5567 76 S 4.5033 7.6162 113.3096 57.7513 62.6955 172.7551 77 C 4.8392 8.7523 124.1110 56.6956 40.3508 173.6404 78 R 4.3401 7.6670 120.4865 55.3159 30.2351 174.5567 79 P 4.4584 0.0000 0.0000 62.2913 32.1207 177.2315 80 S 4.4792 8.5573 118.3818 57.4121 65.7118 175.3139 81 E 3.8855 8.4398 120.5723 59.5162 29.1966 179.4324 82 E 3.8935 7.9860 118.2040 59.3598 29.4597 178.9513 83 D 3.9075 7.7847 118.9315 57.1181 40.6617 178.7080 84 L 3.5609 7.4830 119.6296 57.6835 41.3447 179.8082 85 S 4.0715 7.5642 113.1893 61.0688 63.1594 176.1780 86 L 4.0147 7.4331 123.5914 58.0861 41.5765 178.7904 87 F 3.8705 8.0957 118.3483 60.7725 38.5561 177.7097 88 T 3.8666 7.5730 108.2370 64.3964 68.6814 176.1565 89 R 4.1230 7.8560 120.9745 58.9014 30.3310 176.4079 90 F 4.5999 7.4164 109.2636 57.1951 40.6943 173.8616 91 G 4.2076 9.1891 107.7149 46.1309 0.0000 173.5654 92 K 4.1495 8.3422 119.0155 57.1520 34.0749 176.1398 93 Y 5.0761 8.2819 117.4758 56.3742 42.1968 174.5616 94 H 5.1163 9.2055 119.8796 54.2168 32.8602 172.3258 95 I 5.1176 8.9177 124.5973 59.6622 40.0394 174.7443 96 I 5.1555 8.9674 126.2126 59.6745 40.4371 174.9981 97 V 5.2244 8.8020 119.5821 59.8067 35.0706 172.3117 98 C 5.7222 9.1314 116.8787 53.4415 41.3501 172.6439 99 Y 2.9515 8.3237 121.5310 56.9930 39.3170 174.7902 100 P 2.9700 0.0000 0.0000 62.0828 31.5028 175.2985 101 Y 3.7277 7.5197 115.6426 59.5663 35.6651 169.7695 102 D 4.7373 7.7977 118.9248 52.0403 40.8893 176.4592 103 E 4.0133 8.7743 116.9536 59.0368 29.1242 177.5508 104 N 4.9236 8.5722 114.4116 53.2670 40.0855 175.4609 105 S 4.5830 8.1886 117.8411 56.6240 61.7348 172.9010 106 W 5.7670 7.0773 115.9777 55.4586 31.5143 174.5537 107 K 4.3014 9.1192 117.4938 55.1121 36.5404 174.6805 108 C 5.2104 8.2270 122.3837 57.9057 34.7801 172.1504 109 Y 5.3889 9.0377 122.2599 56.3713 42.5179 174.9592 110 N 5.4869 8.8972 119.2073 50.9859 39.9592 175.6413 111 R 4.0936 8.6618 117.7086 59.2633 30.1745 177.4221 112 K 4.2993 8.3196 114.9620 56.0055 32.2437 177.2017 113 G 4.0888 8.4214 107.0566 45.8078 0.0000 173.5461 114 E 4.5569 8.5745 119.8020 54.7717 30.6405 175.4740 115 E 4.4345 8.8698 124.1035 56.5471 30.3611 176.2194 116 V 4.5800 8.3758 119.3426 59.4079 35.2027 174.7489 117 E 4.3127 8.7793 125.0552 55.6348 30.3235 175.3890 118 L 4.9550 8.5001 126.0191 52.9448 45.0917 175.5680 119 E 4.3656 8.8063 122.3086 55.5783 31.0670 175.4663 120 V 4.5658 8.4286 124.9696 61.7626 32.6469 175.3040 121 V 4.4611 8.4163 121.3518 59.2412 35.0817 176.3044 122 E 4.0954 8.5083 120.3500 56.8636 29.4295 177.0988 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 M 8.16 4.37 0.00 1.71 1.75 0.00 0.00 0.00 0.00 0.00 -0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.17 0.00 5 K 7.96 4.92 0.00 1.74 1.53 0.00 1.73 0.00 0.00 1.56 0.00 0.00 3.01 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.26 1.37 7.81 6 I 8.22 4.91 1.59 0.00 0.00 0.51 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 1.60 0.62 0.00 0.00 7 S 8.48 4.84 0.00 3.89 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 8 R 9.17 3.87 0.00 1.82 1.91 0.00 3.10 0.00 0.00 3.06 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.64 0.00 9 G 7.43 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 0.00 0.00 0.00 0.00 10 L 7.70 3.92 0.00 1.71 1.68 0.90 0.71 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 11 L 7.61 3.72 0.00 1.61 1.33 -0.07 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 12 K 8.23 3.88 0.00 1.90 1.82 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.68 7.81 13 T 7.75 3.83 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 1.30 0.00 0.00 14 I 7.88 3.65 1.98 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 1.65 0.94 1.01 0.00 0.00 15 L 8.16 3.96 0.00 1.77 1.88 1.01 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 16 E 8.46 3.88 0.00 2.01 1.92 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 2.46 2.43 0.00 17 A 7.86 3.67 0.32 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 18 A 7.56 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 K 7.46 3.78 0.00 1.84 1.90 0.00 1.96 0.00 0.00 1.66 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.64 1.62 7.81 20 S 7.83 4.22 0.00 3.92 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 21 A 7.85 4.37 1.60 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 22 H 7.76 4.22 0.00 3.48 3.53 0.00 5.75 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 P 0.00 4.36 0.00 2.12 1.84 0.00 3.83 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.93 0.00 24 D 7.97 4.56 0.00 2.99 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 25 E 8.49 4.29 0.00 2.01 1.85 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 2.18 2.55 0.00 26 F 8.90 3.09 0.00 2.91 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 27 I 6.44 4.75 1.71 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 1.25 1.11 0.90 0.00 0.00 28 A 8.71 4.62 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 29 L 8.68 5.16 0.00 1.63 1.65 0.90 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 30 L 8.84 4.75 0.00 1.74 1.72 1.02 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 31 S 9.23 5.25 0.00 3.80 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 32 G 7.66 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 0.00 0.00 0.00 0.00 33 S 7.91 4.45 0.00 3.85 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 34 K 8.93 4.02 0.00 1.93 1.69 0.00 1.80 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.37 1.45 7.81 35 D 8.39 5.03 0.00 2.69 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 36 V 7.97 4.61 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 0.91 0.00 0.00 0.88 0.00 0.00 37 M 8.73 4.76 0.00 1.80 1.69 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.10 0.00 38 D 8.59 4.71 0.00 2.69 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 39 E 8.62 4.74 0.00 1.92 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 2.27 0.00 40 L 8.31 5.14 0.00 0.99 1.05 1.12 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 41 I 8.21 4.22 1.84 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 1.17 0.66 0.90 0.00 0.00 42 F 8.51 4.93 0.00 3.04 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 43 L 8.72 4.93 0.00 1.74 1.63 0.99 1.07 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 44 P 0.00 4.45 0.00 2.15 2.06 0.00 3.80 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 45 F 7.60 4.53 0.00 3.13 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 *59 L 7.63 4.00 0.00 1.63 1.69 0.90 1.00 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 60 P 0.00 4.26 0.00 2.15 1.98 0.00 3.59 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 2.11 2.12 0.00 61 I 8.18 3.84 1.86 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.45 0.89 0.00 0.00 62 G 9.00 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 63 M 7.92 4.02 0.00 2.02 1.98 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 2.57 2.42 0.00 64 K 8.32 4.11 0.00 1.33 1.65 0.00 1.66 0.00 0.00 1.52 0.00 0.00 2.74 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.33 0.77 7.81 65 V 7.75 4.41 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 0.96 0.00 0.00 0.86 0.00 0.00 66 F 9.17 4.63 0.00 3.23 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 67 G 7.39 4.48 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 68 T 7.86 5.40 4.37 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 1.29 0.00 0.00 69 V 8.68 5.23 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 0.85 0.00 0.00 1.06 0.00 0.00 70 H 9.63 6.13 0.00 3.30 3.38 0.00 5.50 0.00 0.00 0.00 0.00 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 S 8.75 5.55 0.00 4.09 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 72 H 9.33 5.30 0.00 3.17 3.29 0.00 5.63 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 P 0.00 4.93 0.00 2.17 2.40 0.00 3.39 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.94 0.00 74 S 7.62 4.80 0.00 3.98 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 75 P 0.00 5.02 0.00 2.10 2.20 0.00 3.75 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.23 0.00 76 S 7.62 4.50 0.00 3.89 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 77 C 8.75 4.84 0.00 3.06 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 78 R 7.67 4.34 0.00 1.85 1.87 0.00 3.28 0.00 0.00 3.24 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.61 0.00 79 P 0.00 4.46 0.00 1.76 1.56 0.00 3.51 0.00 0.00 3.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.83 0.00 80 S 8.56 4.48 0.00 4.00 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 81 E 8.44 3.89 0.00 1.96 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 2.34 2.35 0.00 82 E 7.99 3.89 0.00 1.91 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 2.34 2.34 0.00 83 D 7.78 3.91 0.00 2.53 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.48 3.56 0.00 1.68 1.59 0.83 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 85 S 7.56 4.07 0.00 3.99 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 86 L 7.43 4.01 0.00 1.72 1.66 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 87 F 8.10 3.87 0.00 2.99 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 88 T 7.57 3.87 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 1.33 0.00 0.00 89 R 7.86 4.12 0.00 2.05 2.27 0.00 3.29 0.00 0.00 3.38 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.82 0.00 90 F 7.42 4.60 0.00 2.93 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 91 G 9.19 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 0.00 0.00 0.00 0.00 92 K 8.34 4.15 0.00 1.44 0.98 0.00 1.60 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.63 0.00 0.00 0.00 0.00 1.32 1.40 7.81 93 Y 8.28 5.08 0.00 2.83 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 94 H 9.21 5.12 0.00 1.76 2.00 0.00 5.58 0.00 0.00 0.00 0.00 6.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 I 8.92 5.12 1.94 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.03 1.13 0.00 0.00 96 I 8.97 5.16 2.23 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.13 0.74 0.00 0.00 97 V 8.80 5.22 2.40 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 0.95 0.00 0.00 1.10 0.00 0.00 98 C 9.13 5.72 0.00 3.22 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 99 Y 8.32 2.95 0.00 2.86 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 0.00 100 P 0.00 2.97 0.00 1.70 1.04 0.00 3.70 0.00 0.00 3.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.68 0.00 101 Y 7.52 3.73 0.00 3.19 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 0.00 102 D 7.80 4.74 0.00 2.90 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 0.00 103 E 8.77 4.01 0.00 2.16 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 0.00 2.32 2.41 0.00 104 N 8.57 4.92 0.00 2.82 2.83 0.00 0.00 7.04 8.42 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 0.00 105 S 8.19 4.58 0.00 4.18 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 0.00 106 W 7.08 5.77 0.00 3.51 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 0.00 107 K 9.12 4.30 0.00 1.67 1.12 0.00 1.43 0.00 0.00 1.16 0.00 0.00 2.62 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.22 1.54 7.81 108 C 8.23 5.21 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 0.00 109 Y 9.04 5.39 0.00 2.74 2.87 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 0.00 110 N 8.90 5.49 0.00 2.78 2.99 0.00 0.00 6.53 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.66 4.09 0.00 1.87 2.01 0.00 3.40 0.00 0.00 3.24 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.99 0.00 112 K 8.32 4.30 0.00 1.96 1.85 0.00 1.88 0.00 0.00 1.72 0.00 0.00 2.99 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.42 1.45 7.81 113 G 8.42 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 0.00 114 E 8.57 4.56 0.00 2.19 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 2.35 2.31 0.00 115 E 8.87 4.43 0.00 2.03 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 2.10 2.06 0.00 116 V 8.38 4.58 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 0.86 0.00 0.00 1.08 0.00 0.00 117 E 8.78 4.31 0.00 1.95 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 2.26 2.31 0.00 118 L 8.50 4.96 0.00 1.69 1.49 0.88 0.61 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 0.00 119 E 8.81 4.37 0.00 1.88 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 2.28 2.23 0.00 120 V 8.43 4.57 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 0.77 0.00 0.00 1.05 0.00 0.00 121 V 8.42 4.46 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 0.60 0.00 0.00 0.93 0.00 0.00 122 E 8.51 4.10 0.00 1.93 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 2.29 2.28 0.00 * Residues marked with a * may have inaccurate shift predictions.