NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 7 S 4.4312 8.3349 115.2945 57.7262 63.2875 173.3381 8 K 4.5019 8.6707 127.5938 55.3416 33.7228 174.7720 9 Y 4.5065 9.6392 125.9366 56.5215 39.8473 173.1000 10 I 4.8043 8.5744 127.6113 59.8415 39.5122 174.9249 11 V 4.7142 9.4692 127.3982 61.4020 33.7216 174.1541 12 I 4.8091 8.7400 130.2172 59.8712 39.3982 174.7827 13 F 4.8034 9.9902 127.1663 57.0756 41.1542 173.2305 14 G 3.8773 10.1216 118.0481 46.1638 0.0000 173.2584 15 C 4.8480 9.3517 130.0359 58.9285 32.2885 174.3781 16 G 4.0494 7.6737 108.3741 44.3182 0.0000 172.1653 17 R 3.8323 8.8215 116.6865 60.6155 30.0279 177.9501 18 L 4.2565 7.8845 118.8997 58.6139 42.6558 178.6705 19 G 4.2608 8.7269 106.0518 47.9159 0.0000 175.2165 20 S 4.1818 8.9966 119.2489 61.0449 63.0064 177.3789 21 L 4.0071 7.6481 127.2393 60.0026 40.6228 183.9139 22 I 3.5974 7.4208 120.5960 64.8158 35.3282 179.9172 23 A 4.2052 7.6896 122.4188 55.0136 18.1488 179.4449 24 N 4.4411 8.6599 117.7669 57.1275 38.2170 178.3907 25 L 4.0775 8.1062 124.7404 58.6253 40.9762 181.1388 26 A 4.2130 8.0377 120.6466 55.4080 18.3052 179.7614 27 S 3.9974 8.2477 112.0078 61.4921 62.5977 176.5072 28 S 4.1666 8.4022 116.3046 61.0602 62.9670 175.4953 29 S 4.4708 7.6269 114.7407 58.2179 62.3718 174.3253 30 G 3.7875 7.7998 107.9605 46.7082 0.0000 173.5881 31 H 4.7661 7.6073 115.3151 54.1470 30.6110 175.2276 32 S 4.1712 8.4905 116.7424 57.9921 63.2209 172.9575 33 V 4.7035 8.0257 127.1105 61.0497 34.4683 174.3453 34 V 4.7026 8.4916 125.9714 61.2070 34.5692 174.1848 35 V 4.6989 8.6207 128.8385 61.3905 33.2857 174.3029 36 V 4.9217 8.3581 128.9060 61.5173 33.3865 174.0794 37 D 4.8307 9.1741 126.1695 52.5347 44.4482 175.6833 38 K 3.9950 9.0431 126.2504 58.9831 32.4172 176.5434 39 N 5.0206 8.6083 114.6227 49.7986 40.6182 174.8309 40 E 3.9502 8.9331 123.2730 60.3494 29.4156 179.3073 *41 Y 4.0069 7.8475 119.5490 61.3252 36.8739 179.9769 42 A 4.0934 7.3639 120.1781 55.5301 18.4182 179.1950 43 F 4.4583 7.9378 115.7080 59.6653 38.6880 177.0788 44 H 4.2322 7.5273 115.5274 59.0294 28.5387 177.3429 45 R 4.2211 7.9046 120.8613 57.7691 29.9865 177.6250 46 L 3.8850 7.3815 122.3629 54.2674 40.9546 182.5330 47 N 4.6547 8.8878 122.2386 50.9947 38.1010 171.7878 48 S 4.2199 8.5861 114.0992 64.0923 62.9147 177.3960 49 E 4.2386 7.8124 121.5148 55.4090 27.5541 176.7854 50 F 4.7741 8.1428 127.0560 56.9397 41.0841 174.8992 51 S 4.2756 8.0908 124.7352 58.8052 62.7687 171.2775 52 G 3.4638 6.0518 105.1011 46.9447 0.0000 172.4572 53 F 5.1796 8.6365 122.1465 56.5948 42.0649 174.3568 54 T 4.5059 6.4874 112.6669 59.5371 71.0158 173.0081 55 V 4.0782 8.0709 126.4775 61.0543 33.3063 174.5867 56 V 4.6543 8.6227 128.5747 61.0374 32.3251 175.4347 57 G 4.3605 8.0128 118.1455 45.9338 0.0000 171.3943 58 D 4.6564 8.0679 120.4158 53.2399 41.3878 177.0705 59 A 4.3203 8.7969 129.7696 54.3665 18.6907 177.8579 60 A 4.0388 8.3025 118.2718 54.0145 18.7372 178.0457 61 E 4.3302 8.2395 116.6739 56.0256 30.5202 177.8524 62 F 4.5919 9.3091 127.5023 62.2357 39.4306 177.9241 63 E 4.0372 8.4493 116.2639 61.1821 29.7384 180.8309 64 T 4.3576 7.7234 113.9976 67.1219 68.2200 176.9481 65 L 4.1147 7.9645 120.3836 57.8055 41.5060 179.6389 66 K 4.1908 7.8531 118.4683 59.4560 31.7498 179.1945 67 E 4.0960 7.8024 117.1970 58.9939 29.4169 178.5308 68 C 4.3633 7.7456 114.8498 59.6441 29.3550 173.3533 69 G 3.8815 7.9701 108.9415 46.8327 0.0000 175.2371 70 M 4.0972 7.5982 120.5981 57.9800 32.7684 179.8214 71 E 4.0567 8.5998 117.0142 59.2165 29.8353 183.8652 72 K 4.2731 7.4326 117.3120 53.7881 31.8917 178.0126 73 A 4.6225 7.3479 122.6673 52.8438 19.5044 177.8981 74 D 4.7135 9.1656 122.1037 56.3403 42.7299 176.8145 75 M 5.1085 8.1274 119.4248 54.1400 36.5376 175.3241 76 V 4.9062 8.5281 122.3997 59.7120 35.1793 171.9157 77 F 5.2604 9.9546 125.6118 54.9710 40.9111 175.3848 78 A 4.9471 9.5034 128.4646 50.7669 19.1363 176.9323 79 F 5.0550 8.9504 122.7888 58.3106 40.3616 176.0943 80 T 4.4060 8.9236 109.9066 60.7604 69.7760 174.1312 81 N 4.5227 8.5972 117.4533 53.7139 37.9042 174.6768 82 D 4.8677 7.8366 119.6515 52.5572 43.1873 175.9267 83 D 4.4857 8.6911 127.1377 57.9038 41.1068 178.9231 84 S 4.1752 8.3002 115.0090 61.9891 62.8050 176.6934 85 T 3.9372 8.6737 118.5870 66.8621 68.2828 176.1227 86 N 4.3647 8.7077 118.6000 56.5882 38.5581 177.1803 87 F 4.1208 9.4928 122.8906 61.3087 39.5131 176.9130 88 F 3.8649 8.8339 120.5779 61.2212 39.1351 176.8217 89 I 3.3936 8.4605 119.7363 64.6082 36.8460 178.4847 90 S 4.0265 8.0146 115.5529 61.9039 62.6943 176.7359 91 M 3.9495 7.7662 121.4772 58.3641 31.5114 178.6097 92 N 4.3098 7.7750 116.3264 56.1270 38.7337 177.2135 93 A 4.0119 8.0078 122.2489 55.2400 18.6013 179.7692 94 R 3.5777 8.5731 117.4159 59.3940 30.0111 177.6209 95 Y 4.5638 8.1917 113.6265 58.3169 38.7849 175.9545 96 M 4.4606 8.3089 117.9798 55.3894 34.0808 175.9660 97 F 4.5368 8.2782 115.8000 57.0095 41.2442 175.0722 98 N 4.6641 8.1196 116.4569 52.1475 34.4332 179.6376 99 V 3.8956 8.2182 120.8167 62.4881 32.8549 175.2999 100 E 3.9330 9.0132 128.5787 58.9556 29.9646 176.1272 101 N 4.8739 7.8310 120.4708 52.2019 40.3992 174.9102 102 V 4.8050 8.2518 123.1044 59.5648 35.5216 170.7889 103 I 4.9056 8.6275 127.2964 58.4381 39.7814 174.6461 104 A 5.2996 9.2685 128.7801 50.0059 22.0905 175.0673 105 R 4.1652 8.5376 123.3813 55.4597 30.7179 175.8334 106 V 4.2185 8.0837 127.1018 61.5131 33.4985 175.4141 107 Y 3.6270 10.1857 130.9195 60.4041 39.1462 175.1668 108 D 4.5529 8.5291 122.8030 53.3135 41.2315 175.1221 109 P 4.2164 0.0000 0.0000 65.4811 31.0778 178.4274 110 E 4.0297 8.5098 116.9335 58.8685 29.5140 178.8313 111 K 4.2985 8.3962 120.8982 58.9188 32.3011 179.5508 112 I 3.7022 7.4442 123.7678 65.8438 35.1503 183.3454 113 K 4.1793 8.1286 124.9253 59.8871 31.3701 180.6190 114 I 3.9975 7.4783 117.7169 63.0346 38.0088 177.8652 115 F 4.4375 8.5657 121.1295 61.5897 39.0547 178.0345 116 E 4.1894 8.3302 117.2563 60.9528 29.3065 180.4270 117 E 4.4725 8.6096 116.5133 58.1879 29.5683 177.1711 118 N 4.9743 8.2566 115.7292 52.3355 39.5337 174.4315 119 G 3.6887 8.3046 108.2096 47.7361 0.0000 175.5998 120 I 4.4920 7.6743 118.4611 57.9629 38.1751 178.3878 121 K 4.2229 8.4484 128.1399 56.2923 33.1802 176.4351 122 T 5.0370 8.4265 112.8873 59.9698 71.9088 173.1431 123 I 4.3656 9.0099 126.0629 59.9493 39.4805 173.9568 124 C 5.3342 8.5793 128.2343 56.0109 33.2386 172.7115 125 P 4.1658 0.0000 0.0000 65.9079 30.9593 178.3650 126 A 3.8731 7.7026 122.5819 55.5216 18.1134 180.4924 127 V 3.6471 7.6802 118.7747 66.6953 32.1781 180.5525 128 L 4.4225 8.1411 125.2998 60.1356 40.7386 182.3168 129 M 4.3790 8.1584 121.0269 59.7739 31.1694 181.0026 130 I 4.1580 7.6223 122.5050 64.8948 37.3321 178.7650 131 E 4.1880 7.9076 120.2970 61.7998 29.7676 183.7520 132 K 4.2596 7.8743 124.8870 59.3719 31.9741 181.2909 133 V 4.0339 8.5428 122.7426 64.6090 30.9954 179.2440 134 K 4.1195 7.6572 127.0477 60.3018 31.6232 184.5836 135 E 4.4114 8.0527 120.2079 61.0441 30.9525 181.3800 *136 F 4.6331 7.4309 120.2400 54.9053 36.6515 179.3270 137 I 4.0315 7.1758 124.0486 60.5642 36.0137 175.9016 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 7 S 8.33 4.43 0.00 3.83 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 8 K 8.67 4.50 0.00 1.87 1.75 0.00 2.09 0.00 0.00 1.74 0.00 0.00 2.76 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.53 0.91 7.81 9 Y 9.64 4.51 0.00 3.04 2.85 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 10 I 8.57 4.80 1.90 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 1.11 0.54 1.16 0.00 0.00 11 V 9.47 4.71 2.24 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 0.85 0.00 0.00 1.18 0.00 0.00 12 I 8.74 4.81 1.87 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 1.23 0.52 0.85 0.00 0.00 13 F 9.99 4.80 0.00 3.30 3.10 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 14 G 10.12 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 0.00 0.00 0.00 15 C 9.35 4.85 0.00 2.89 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 16 G 7.67 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 17 R 8.82 3.83 0.00 2.07 1.99 0.00 3.33 0.00 0.00 3.15 7.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.29 0.00 18 L 7.88 4.26 0.00 1.91 1.84 0.92 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 19 G 8.73 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 0.00 0.00 0.00 0.00 20 S 9.00 4.18 0.00 3.95 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 21 L 7.65 4.01 0.00 1.72 1.72 0.92 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.42 3.60 1.87 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 1.45 0.54 0.91 0.00 0.00 23 A 7.69 4.21 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 24 N 8.66 4.44 0.00 2.69 2.87 0.00 0.00 7.14 6.29 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 25 L 8.11 4.08 0.00 1.68 1.68 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 26 A 8.04 4.21 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 27 S 8.25 4.00 0.00 4.07 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 28 S 8.40 4.17 0.00 4.04 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 29 S 7.63 4.47 0.00 4.17 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 30 G 7.80 3.79 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 0.00 0.00 0.00 31 H 7.61 4.77 0.00 3.23 3.31 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 32 S 8.49 4.17 0.00 3.85 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 33 V 8.03 4.70 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 1.02 0.00 0.00 0.96 0.00 0.00 34 V 8.49 4.70 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 0.99 0.00 0.00 0.89 0.00 0.00 35 V 8.62 4.70 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 1.03 0.00 0.00 0.99 0.00 0.00 36 V 8.36 4.92 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 0.97 0.00 0.00 -0.02 0.00 0.00 37 D 9.17 4.83 0.00 2.48 1.75 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 38 K 9.04 4.00 0.00 1.76 1.82 0.00 1.77 0.00 0.00 1.76 0.00 0.00 2.83 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.43 1.47 7.81 39 N 8.61 5.02 0.00 2.83 2.77 0.00 0.00 6.62 7.82 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 40 E 8.93 3.95 0.00 2.16 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 2.43 2.58 0.00 *41 Y 7.85 4.01 0.00 2.36 2.30 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 42 A 7.36 4.09 1.04 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 43 F 7.94 4.46 0.00 2.98 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 44 H 7.53 4.23 0.00 3.17 3.33 0.00 5.67 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.90 4.22 0.00 1.84 1.95 0.00 3.30 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.71 0.00 46 L 7.38 3.88 0.00 1.67 1.48 0.92 0.87 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 47 N 8.89 4.65 0.00 2.72 2.67 0.00 0.00 7.12 7.53 0.00 0.00 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 S 8.59 4.22 0.00 3.87 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 49 E 7.81 4.24 0.00 1.99 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 2.23 1.86 0.00 50 F 8.14 4.77 0.00 2.94 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 51 S 8.09 4.28 0.00 3.67 3.75 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 52 G 6.05 3.46 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 0.00 53 F 8.64 5.18 0.00 3.05 2.85 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 54 T 6.49 4.51 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 0.57 0.00 0.00 55 V 8.07 4.08 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 0.99 0.00 0.00 1.03 0.00 0.00 56 V 8.62 4.65 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 1.19 0.00 0.00 57 G 8.01 4.36 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 58 D 8.07 4.66 0.00 2.73 2.62 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 59 A 8.80 4.32 1.50 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 60 A 8.30 4.04 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 61 E 8.24 4.33 0.00 2.34 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 2.38 2.29 0.00 62 F 9.31 4.59 0.00 3.24 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 63 E 8.45 4.04 0.00 2.10 1.87 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 2.23 1.98 0.00 64 T 7.72 4.36 4.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 65 L 7.96 4.11 0.00 1.90 1.59 0.92 0.94 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 66 K 7.85 4.19 0.00 1.77 1.83 0.00 1.78 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.46 1.35 7.81 67 E 7.80 4.10 0.00 2.29 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 2.40 2.38 0.00 68 C 7.75 4.36 0.00 3.08 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 69 G 7.97 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 0.00 0.00 0.00 70 M 7.60 4.10 0.00 1.83 1.12 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.56 0.00 71 E 8.60 4.06 0.00 1.98 1.88 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 2.23 1.89 0.00 72 K 7.43 4.27 0.00 1.75 1.70 0.00 1.77 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.32 1.24 7.81 73 A 7.35 4.62 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 74 D 9.17 4.71 0.00 2.69 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 75 M 8.13 5.11 0.00 1.74 1.97 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 2.58 2.43 0.00 76 V 8.53 4.91 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 0.76 0.00 0.00 0.93 0.00 0.00 77 F 9.95 5.26 0.00 2.97 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 78 A 9.50 4.95 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 79 F 8.95 5.06 0.00 3.10 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 80 T 8.92 4.41 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 1.39 0.00 0.00 81 N 8.60 4.52 0.00 2.81 2.98 0.00 0.00 5.81 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 82 D 7.84 4.87 0.00 2.77 2.61 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 83 D 8.69 4.49 0.00 2.83 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 84 S 8.30 4.18 0.00 4.07 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 85 T 8.67 3.94 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 1.30 0.00 0.00 86 N 8.71 4.36 0.00 3.19 3.08 0.00 0.00 6.77 7.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 F 9.49 4.12 0.00 2.91 3.29 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 88 F 8.83 3.86 0.00 3.24 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 89 I 8.46 3.39 1.86 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 1.52 0.43 -0.09 0.00 0.00 90 S 8.01 4.03 0.00 3.91 3.92 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 91 M 7.77 3.95 0.00 1.78 1.72 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.60 0.00 92 N 7.78 4.31 0.00 2.68 3.04 0.00 0.00 6.91 7.40 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 93 A 8.01 4.01 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 94 R 8.57 3.58 0.00 1.65 1.19 0.00 2.21 0.00 0.00 2.28 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.45 0.00 95 Y 8.19 4.56 0.00 2.99 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 96 M 8.31 4.46 0.00 2.10 2.08 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.56 0.00 97 F 8.28 4.54 0.00 3.11 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 98 N 8.12 4.66 0.00 2.81 2.71 0.00 0.00 7.00 7.67 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 99 V 8.22 3.90 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 0.94 0.00 0.00 1.04 0.00 0.00 100 E 9.01 3.93 0.00 1.93 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 2.28 2.37 0.00 101 N 7.83 4.87 0.00 2.93 2.60 0.00 0.00 6.98 7.56 0.00 0.00 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 8.25 4.80 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 0.81 0.00 0.00 0.93 0.00 0.00 103 I 8.63 4.91 1.43 0.00 0.00 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.27 1.21 0.00 0.00 104 A 9.27 5.30 1.27 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 0.00 0.00 105 R 8.54 4.17 0.00 0.67 1.14 0.00 2.99 0.00 0.00 2.74 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.22 0.00 106 V 8.08 4.22 1.73 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 0.68 0.00 0.00 -0.26 0.00 0.00 107 Y 10.19 3.63 0.00 2.91 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 0.00 108 D 8.53 4.55 0.00 2.86 2.62 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 0.00 109 P 0.00 4.22 0.00 2.16 2.02 0.00 3.64 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 110 E 8.51 4.03 0.00 2.17 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 2.35 2.50 0.00 111 K 8.40 4.30 0.00 2.01 2.05 0.00 1.97 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.48 1.49 7.81 112 I 7.44 3.70 1.87 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 1.38 0.72 0.91 0.00 0.00 113 K 8.13 4.18 0.00 1.75 1.86 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.87 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.45 1.08 7.81 114 I 7.48 4.00 1.81 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 1.52 1.23 0.64 0.00 0.00 115 F 8.57 4.44 0.00 3.40 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 0.00 116 E 8.33 4.19 0.00 1.99 1.96 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 2.24 2.22 0.00 117 E 8.61 4.47 0.00 2.34 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 2.34 2.22 0.00 118 N 8.26 4.97 0.00 2.98 3.05 0.00 0.00 6.94 7.21 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 0.00 119 G 8.30 3.69 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 0.00 0.00 0.00 120 I 7.67 4.49 1.87 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 1.34 0.87 0.91 0.00 0.00 121 K 8.45 4.22 0.00 1.72 1.80 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.48 1.41 7.81 122 T 8.43 5.04 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 1.10 0.00 0.00 123 I 9.01 4.37 1.99 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 1.11 0.82 1.01 0.00 0.00 124 C 8.58 5.33 0.00 2.84 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 0.00 125 P 0.00 4.17 0.00 2.14 2.22 0.00 3.74 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.89 0.00 126 A 7.70 3.87 1.12 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 0.00 0.00 127 V 7.68 3.65 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 0.81 0.00 0.00 0.93 0.00 0.00 128 L 8.14 4.42 0.00 1.65 1.70 0.92 0.84 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 0.00 129 M 8.16 4.38 0.00 2.01 2.10 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 2.53 2.45 0.00 130 I 7.62 4.16 1.85 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 1.38 0.95 0.90 0.00 0.00 131 E 7.91 4.19 0.00 2.05 1.95 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 2.24 2.20 0.00 132 K 7.87 4.26 0.00 1.76 1.84 0.00 1.76 0.00 0.00 1.87 0.00 0.00 2.93 0.00 0.00 2.79 0.00 0.00 0.00 0.00 1.44 1.06 7.81 133 V 8.54 4.03 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 0.78 0.00 0.00 0.93 0.00 0.00 134 K 7.66 4.12 0.00 1.83 1.77 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.39 1.32 7.81 135 E 8.05 4.41 0.00 2.10 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 2.26 2.20 0.00 *136 F 7.43 4.63 0.00 2.43 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 0.00 0.00 0.00 0.00 137 I 7.18 4.03 1.87 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 1.27 0.85 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.