NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5840 8.1933 115.5799 58.2840 63.9469 172.3039 3 V 4.8990 8.5293 119.5147 59.4697 35.4814 173.5479 4 T 4.6312 10.4849 122.0107 62.0641 71.5547 172.7515 5 Q 5.1085 8.7463 125.6778 53.3118 29.6951 174.3317 6 P 4.4786 0.0000 0.0000 64.7296 31.4954 176.5501 7 D 4.8645 7.3442 118.6109 52.2735 42.6388 175.9390 8 A 4.2396 8.8041 126.4143 54.6798 19.3126 177.1269 9 R 5.1407 7.8903 111.7558 54.5527 33.8801 175.4082 10 V 4.5262 8.8614 121.1910 61.7448 35.3779 173.7035 11 T 5.1626 8.5904 123.3498 61.9518 71.3828 173.7550 12 V 4.5811 8.8799 118.2912 59.5195 36.6194 174.9378 13 S 4.6399 8.5413 119.5559 57.8290 64.0746 173.5321 14 E 3.9570 8.8284 124.9613 58.2587 29.6883 176.8285 15 G 3.9705 9.4692 114.9081 44.3863 0.0000 173.4438 16 A 4.4270 7.7933 121.4969 51.0952 20.7629 176.9906 17 S 4.8678 8.3154 114.4689 57.5934 64.7653 173.3354 18 L 4.7960 8.7851 124.2910 53.3148 45.2417 175.1649 19 Q 4.7256 8.4467 125.6155 54.5951 31.9113 173.5744 20 L 4.6763 8.1916 126.8081 53.0630 43.7917 176.2983 21 R 4.4859 8.6207 123.1233 56.0038 31.6861 176.7719 22 C 5.2331 9.1247 121.7872 55.5520 45.5288 172.4948 23 K 5.5142 9.6350 126.3059 54.7460 34.5967 174.7679 24 Y 5.2908 8.8357 121.5193 55.2113 41.5733 174.8735 25 S 4.6580 9.0537 115.8111 57.3037 65.0861 172.9411 26 Y 4.7724 8.4417 124.9164 56.6754 41.6936 174.4885 27 S 4.0760 8.4941 123.8776 61.6230 63.1946 174.7604 28 A 4.1330 6.6049 120.2389 51.6217 18.9159 176.2439 29 T 3.7768 8.3497 115.0535 63.2593 68.4303 172.6201 30 P 3.9962 0.0000 0.0000 62.4325 31.9479 175.3018 31 Y 4.2125 7.9876 121.3564 56.1320 39.7392 174.3588 32 L 4.9866 7.4770 123.4949 53.1073 44.3081 175.9819 33 F 5.6300 9.7638 120.3402 55.9606 44.3730 173.5438 34 W 5.6538 9.2181 119.3624 55.4725 32.6546 174.2410 35 Y 5.4109 10.0591 122.5651 56.1137 41.3029 174.9316 36 V 4.3193 8.8957 122.3028 59.7623 34.7219 174.4901 37 Q 4.6278 8.5835 124.5465 54.4819 31.4676 173.6342 38 Y 4.7157 8.3787 124.6969 56.6935 39.7059 173.2857 39 P 3.9979 0.0000 0.0000 63.3578 32.0163 175.9035 40 R 3.8902 8.7569 120.4778 57.1239 27.7858 175.8018 41 Q 4.5930 7.7156 113.7330 53.9721 32.9425 175.1641 42 G 3.9593 8.3437 107.0293 45.0608 0.0000 171.5945 43 P 4.8208 0.0000 0.0000 62.4607 32.2011 176.2403 44 Q 4.8959 9.2143 122.7517 53.6766 32.0582 174.8410 45 L 3.4657 8.6883 125.7125 55.4644 42.4139 175.4032 46 L 4.5777 8.9455 128.9404 56.0506 43.5559 175.7590 47 L 4.7196 7.5476 116.4993 54.9925 43.7182 172.9084 48 K 5.0418 8.3657 117.4581 55.7225 35.6262 174.7568 49 Y 4.2566 8.3300 121.7300 56.5431 41.3028 173.7445 50 Y 4.4355 7.9731 123.2793 58.4747 40.1807 176.6064 51 S 4.4209 6.5170 111.7675 58.3726 66.7559 175.5604 52 G 3.9276 8.5746 108.0249 45.5164 0.0000 174.5485 53 D 4.3960 8.9838 125.6441 54.2007 41.2869 174.7333 54 P 4.4073 0.0000 0.0000 64.4572 32.4865 175.5862 55 V 4.8393 8.0762 121.2165 61.4889 32.9758 175.0281 56 V 4.5859 8.8101 121.8393 59.8751 34.2843 175.0079 57 Q 4.9288 8.7245 122.4644 54.5246 30.8596 174.9326 58 G 4.3674 9.1235 110.0299 44.2163 0.0000 172.3002 59 V 3.9694 8.1741 119.2153 63.1697 32.1723 175.0976 60 N 4.0663 9.4287 117.1794 54.8961 36.3080 174.3722 61 G 3.9243 7.9618 99.8707 46.8378 0.0000 173.0395 62 F 5.1851 7.7095 116.6024 55.4628 42.0269 175.3415 63 E 5.2166 9.0099 118.6530 55.3299 33.3241 173.6948 64 A 4.9124 8.8185 121.3694 50.3350 23.6853 174.6322 65 E 5.0425 8.5452 119.6424 54.3131 32.5821 174.5983 66 F 5.1713 9.4286 130.7452 58.0268 40.5096 175.0664 67 S 3.9543 8.6487 120.5417 55.8895 63.6750 173.9897 68 K 3.8205 8.0421 127.6634 58.5271 32.1633 178.1502 69 S 4.1514 7.8384 111.6488 61.5631 62.8120 175.0042 70 N 4.3320 8.1266 118.8042 53.2065 39.1695 174.6223 71 S 3.3822 8.2668 114.0529 60.2226 61.0090 171.2321 72 S 5.4414 7.6356 111.9693 56.4174 66.9776 173.9674 73 F 6.0319 8.5447 120.3139 58.3166 39.1044 173.8414 74 H 4.8620 8.2279 118.9459 56.0888 30.6786 176.1342 75 L 4.4395 8.4958 124.4188 53.9572 44.1781 175.0656 76 R 4.9913 8.5855 122.8556 55.0743 34.2801 173.5742 77 K 4.7278 8.8728 124.9001 53.5082 35.0144 177.0744 78 A 3.8287 8.5679 129.7357 54.3030 18.7599 176.4268 79 S 4.6472 7.4132 110.8470 57.0891 64.9984 173.9597 80 V 4.0637 8.7279 121.8646 61.3910 33.2166 175.1813 81 H 5.1083 9.2714 119.8037 53.7427 32.8480 174.9945 82 R 3.9704 8.7305 117.5428 59.7816 29.9611 179.6988 83 S 4.1582 8.2429 112.5405 61.7776 62.8104 175.0734 84 D 4.9618 7.9918 117.6070 55.4237 40.8528 176.4916 85 S 4.6959 8.6217 116.7978 58.7218 63.4009 173.7109 86 A 4.3161 8.1465 125.0978 52.0888 23.4301 173.6774 87 V 4.6271 7.3918 116.1796 61.6265 33.9302 174.9553 88 Y 5.0071 9.1771 125.8352 56.3074 40.3913 174.5419 89 F 5.3055 9.9518 123.8956 55.9349 42.1835 173.7522 90 C 4.2642 8.6470 122.5690 54.8424 44.0529 172.0277 91 A 5.1454 8.9995 126.3836 50.4314 22.8585 175.2519 92 V 4.7560 7.9694 120.2797 59.4361 34.9923 174.8660 93 S 4.0157 9.4162 119.2320 58.0460 62.7718 171.8556 *99 D 4.8425 8.7882 128.5878 52.8781 41.6310 175.0675 100 P 4.4388 0.0000 0.0000 61.8945 31.3629 174.4496 101 P 4.6410 0.0000 0.0000 62.0564 31.7886 173.7506 102 P 4.6726 0.0000 0.0000 63.0764 31.7986 175.8034 103 L 4.4262 7.9704 118.8674 54.4648 42.8360 175.8118 104 L 4.5481 8.1224 123.3884 53.4358 44.5642 175.4742 105 T 4.4824 8.1337 122.3660 61.7908 70.6599 173.9189 106 F 4.3302 8.8207 125.4288 56.9124 40.2784 175.7778 107 G 4.2352 8.7236 108.8483 45.0446 0.0000 175.0448 108 S 4.3438 8.7978 113.9311 59.5690 63.2272 175.8607 109 G 3.6843 8.3989 105.5036 45.6705 0.0000 172.6691 110 T 4.8198 7.9349 114.6379 61.5301 72.9814 173.0245 111 K 4.7249 9.2829 128.5095 55.4141 33.7518 175.1425 112 V 4.8214 9.1716 128.3427 61.3344 33.8295 174.2326 113 I 4.7570 8.8325 128.9742 59.4201 39.9049 174.6624 114 V 5.4457 8.3984 126.9341 59.1147 33.3515 175.9280 115 L 4.3184 8.4767 123.1329 54.9179 41.3506 176.6327 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 2 S 8.19 4.58 0.00 4.01 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 3 V 8.53 4.90 2.11 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 0.77 0.00 0.00 0.99 0.00 0.00 4 T 10.48 4.63 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 1.26 0.00 0.00 5 Q 8.75 5.11 0.00 2.06 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.37 0.00 6 P 0.00 4.48 0.00 2.21 2.24 0.00 4.03 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.05 0.00 7 D 7.34 4.86 0.00 2.83 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.80 4.24 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 9 R 7.89 5.14 0.00 1.67 1.81 0.00 3.19 0.00 0.00 3.17 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.59 0.00 10 V 8.86 4.53 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 1.01 0.00 0.00 0.93 0.00 0.00 11 T 8.59 5.16 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 1.25 0.00 0.00 12 V 8.88 4.58 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 0.77 0.00 0.00 0.90 0.00 0.00 13 S 8.54 4.64 0.00 3.76 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 14 E 8.83 3.96 0.00 1.93 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 2.33 2.51 0.00 15 G 9.47 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 16 A 7.79 4.43 1.25 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 0.00 0.00 17 S 8.32 4.87 0.00 3.73 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 18 L 8.79 4.80 0.00 1.57 1.28 0.81 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 19 Q 8.45 4.73 0.00 1.95 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 6.49 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 20 L 8.19 4.68 0.00 1.20 1.60 0.55 0.52 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 21 R 8.62 4.49 0.00 1.70 1.81 0.00 3.13 0.00 0.00 3.09 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.51 0.00 22 C 9.12 5.23 0.00 3.25 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 23 K 9.63 5.51 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.47 1.55 7.81 24 Y 8.84 5.29 0.00 3.02 3.06 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 25 S 9.05 4.66 0.00 3.87 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 26 Y 8.44 4.77 0.00 3.03 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 27 S 8.49 4.08 0.00 3.66 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 28 A 6.60 4.13 1.16 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 29 T 8.35 3.78 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 0.43 0.00 0.00 30 P 0.00 4.00 0.00 1.52 1.77 0.00 3.58 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 1.61 2.05 0.00 31 Y 7.99 4.21 0.00 2.96 2.84 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 0.00 0.00 0.00 32 L 7.48 4.99 0.00 0.27 0.87 0.24 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 33 F 9.76 5.63 0.00 3.02 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 34 W 9.22 5.65 0.00 3.31 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 35 Y 10.06 5.41 0.00 3.20 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 36 V 8.90 4.32 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 0.65 0.00 0.00 -0.45 0.00 0.00 37 Q 8.58 4.63 0.00 2.15 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.23 2.42 0.00 38 Y 8.38 4.72 0.00 2.99 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 39 P 0.00 4.00 0.00 2.10 2.02 0.00 4.00 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 2.10 2.22 0.00 40 R 8.76 3.89 0.00 1.94 2.00 0.00 3.16 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.65 0.00 41 Q 7.72 4.59 0.00 2.37 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.95 0.00 0.00 0.00 0.00 0.00 2.33 2.50 0.00 42 G 8.34 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 0.00 0.00 0.00 43 P 0.00 4.82 0.00 1.75 1.89 0.00 3.48 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 1.48 1.83 0.00 44 Q 9.21 4.90 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.00 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 45 L 8.69 3.47 0.00 1.42 1.51 0.51 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.95 4.58 0.00 1.91 1.60 0.75 -0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 47 L 7.55 4.72 0.00 1.85 1.77 1.11 0.10 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 48 K 8.37 5.04 0.00 1.06 1.73 0.00 1.14 0.00 0.00 1.58 0.00 0.00 2.49 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.05 0.65 7.81 49 Y 8.33 4.26 0.00 3.14 2.23 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 50 Y 7.97 4.44 0.00 2.73 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 6.52 4.42 0.00 3.91 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 52 G 8.57 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 53 D 8.98 4.40 0.00 2.71 2.73 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 54 P 0.00 4.41 0.00 2.16 2.36 0.00 3.77 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.00 0.00 55 V 8.08 4.84 2.23 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 0.81 0.00 0.00 0.95 0.00 0.00 56 V 8.81 4.59 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 1.03 0.00 0.00 1.21 0.00 0.00 57 Q 8.72 4.93 0.00 1.94 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.30 0.00 58 G 9.12 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 0.00 0.00 0.00 0.00 59 V 8.17 3.97 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 1.04 0.00 0.00 0.99 0.00 0.00 60 N 9.43 4.07 0.00 3.30 3.14 0.00 0.00 6.95 7.65 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 61 G 7.96 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 0.00 0.00 0.00 62 F 7.71 5.19 0.00 3.18 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 63 E 9.01 5.22 0.00 2.08 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 2.21 2.19 0.00 64 A 8.82 4.91 0.57 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 0.00 0.00 65 E 8.55 5.04 0.00 2.05 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 2.18 2.22 0.00 66 F 9.43 5.17 0.00 2.39 2.42 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 0.00 0.00 0.00 0.00 67 S 8.65 3.95 0.00 3.73 3.54 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 68 K 8.04 3.82 0.00 1.77 1.72 0.00 1.81 0.00 0.00 1.43 0.00 0.00 3.14 0.00 0.00 3.34 0.00 0.00 0.00 0.00 1.45 1.46 7.81 69 S 7.84 4.15 0.00 3.96 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 70 N 8.13 4.33 0.00 2.63 2.79 0.00 0.00 7.43 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 71 S 8.27 3.38 0.00 3.76 3.40 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 0.00 72 S 7.64 5.44 0.00 3.74 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 73 F 8.54 6.03 0.00 3.11 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 74 H 8.23 4.86 0.00 3.16 3.18 0.00 5.67 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 75 L 8.50 4.44 0.00 0.27 0.34 0.37 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 76 R 8.59 4.99 0.00 1.73 1.57 0.00 3.01 0.00 0.00 3.02 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.59 0.00 77 K 8.87 4.73 0.00 0.91 1.18 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.74 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.94 0.88 7.81 78 A 8.57 3.83 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 79 S 7.41 4.65 0.00 3.77 3.58 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 80 V 8.73 4.06 2.03 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 0.59 0.00 0.00 0.91 0.00 0.00 81 H 9.27 5.11 0.00 3.02 3.17 0.00 5.63 0.00 0.00 0.00 0.00 6.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 R 8.73 3.97 0.00 1.87 2.02 0.00 3.16 0.00 0.00 3.18 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.64 0.00 83 S 8.24 4.16 0.00 3.92 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 84 D 7.99 4.96 0.00 2.93 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 85 S 8.62 4.70 0.00 3.97 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 86 A 8.15 4.32 0.99 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 87 V 7.39 4.63 1.89 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 0.31 0.00 0.00 0.87 0.00 0.00 88 Y 9.18 5.01 0.00 3.01 3.08 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 0.00 0.00 0.00 0.00 89 F 9.95 5.31 0.00 3.21 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 90 C 8.65 4.26 0.00 1.68 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 91 A 9.00 5.15 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.97 4.76 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 0.47 0.00 0.00 0.49 0.00 0.00 93 S 9.42 4.02 0.00 4.33 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 *99 D 8.79 4.84 0.00 2.64 2.31 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 0.00 100 P 0.00 4.44 0.00 2.30 2.27 0.00 3.80 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.03 0.00 101 P 0.00 4.64 0.00 2.02 1.92 0.00 3.77 0.00 0.00 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.16 0.00 102 P 0.00 4.67 0.00 2.12 2.07 0.00 3.73 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.94 0.00 103 L 7.97 4.43 0.00 1.70 1.59 0.92 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 104 L 8.12 4.55 0.00 1.36 1.07 0.31 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 105 T 8.13 4.48 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 1.20 0.00 0.00 106 F 8.82 4.33 0.00 2.77 2.76 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 0.00 107 G 8.72 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 0.00 0.00 0.00 0.00 108 S 8.80 4.34 0.00 4.07 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 0.00 109 G 8.40 3.68 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 0.00 0.00 0.00 110 T 7.93 4.82 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 1.32 0.00 0.00 111 K 9.28 4.72 0.00 1.79 1.69 0.00 1.61 0.00 0.00 1.59 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.39 7.81 112 V 9.17 4.82 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 0.93 0.00 0.00 0.88 0.00 0.00 113 I 8.83 4.76 1.89 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 1.32 0.65 0.94 0.00 0.00 114 V 8.40 5.45 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 0.97 0.00 0.00 1.04 0.00 0.00 115 L 8.48 4.32 0.00 1.55 1.62 0.92 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.