NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 L 4.5114 8.1844 120.6280 54.3619 43.1003 175.9126 1 V 3.7925 8.1029 121.5030 62.4836 32.2188 174.4032 2 K 4.4968 8.9345 124.3651 56.3258 36.7735 174.8212 3 K 4.9046 8.1013 121.6303 54.7382 34.0129 175.1260 4 V 4.9514 8.8106 128.0307 60.9775 34.9177 173.7458 5 L 5.0105 8.6924 129.0770 53.3061 44.4123 174.6219 6 L 5.0870 9.5441 130.1420 54.2262 43.4513 174.9386 7 I 5.2290 8.7364 127.8243 59.7465 39.8863 174.4330 8 N 5.3976 9.4446 124.4467 51.6070 41.2167 175.2612 9 G 4.1752 9.0484 116.1613 44.5230 0.0000 171.5145 10 P 4.5047 0.0000 0.0000 63.9310 32.2094 177.5143 11 N 4.6183 9.2523 116.3075 54.0492 38.3290 176.7088 12 L 4.3794 7.6049 117.4498 56.7452 41.9070 178.5667 13 N 4.2479 8.2511 115.4609 55.3400 36.9237 175.3151 14 L 4.4491 8.3211 118.1422 54.2897 42.5085 176.3116 15 L 4.2193 7.8948 121.1487 55.5724 40.9246 176.7017 16 G 4.1039 8.3804 110.1926 44.1199 0.0000 171.7446 17 T 4.4759 8.4496 113.5711 61.3154 69.4130 175.9245 18 R 4.1751 7.8117 120.3034 58.6081 31.1420 176.7778 *23 Y 4.6904 7.6597 115.7598 56.8383 40.3061 174.2818 24 G 3.8719 7.3835 107.8124 43.9813 0.0000 174.1842 25 T 4.2832 8.1218 106.0839 62.2449 68.5431 174.4442 26 T 4.2546 7.5456 120.1254 63.5512 68.9897 175.2007 27 S 5.3373 9.0055 123.4413 55.9934 66.5615 175.0848 28 L 3.9502 8.2200 122.9246 57.9185 41.8117 178.6013 29 S 4.4337 7.8448 114.8452 59.9751 63.3061 175.7878 30 D 4.2687 7.7350 122.7721 57.4111 40.5994 178.3335 31 I 3.5844 7.4316 119.8862 64.6026 37.2435 178.1904 32 E 3.8224 8.2300 118.9800 59.6073 29.3512 179.2180 33 Q 4.0321 8.4645 118.1476 59.2881 28.8584 179.9205 34 A 3.9796 8.0502 121.0843 55.0076 18.5294 179.5666 35 A 3.9253 7.9892 119.3330 55.3245 18.4303 179.7056 36 I 3.6483 7.8014 118.3432 64.8239 37.1210 178.4996 37 E 3.9878 8.3506 119.1027 59.0328 29.2601 178.6207 38 Q 3.9179 8.5814 119.9290 59.3903 28.9784 179.0438 39 A 4.0147 7.9191 120.8789 55.1719 18.6868 179.3929 40 K 3.7779 8.1113 117.1456 59.9531 31.9841 178.9564 41 L 4.1317 8.5643 119.2907 57.0605 42.0854 178.3607 42 K 3.8956 7.8268 117.8582 57.6456 32.0703 176.2349 43 N 4.3212 8.1641 114.7749 54.0924 36.5238 174.0953 44 N 4.9733 7.7308 111.2027 52.6144 38.2891 173.4746 45 D 4.3288 8.2825 114.4154 56.5306 38.2254 173.6569 46 S 4.7324 7.7145 114.0257 58.4657 64.8696 174.6168 47 E 4.6142 9.1266 120.1704 55.4581 33.4051 173.8150 48 V 4.7646 8.4540 127.0694 61.2587 33.1014 174.9909 49 L 4.5579 8.8859 128.6955 54.3886 43.2584 176.4365 50 V 5.0702 8.1183 113.5118 60.0455 35.3663 174.8614 51 F 4.8664 8.8580 123.6488 57.4261 43.1540 172.6712 52 Q 5.3772 7.5174 124.7688 54.2017 32.1188 173.4417 53 S 4.6014 8.3972 117.5111 57.8148 65.0201 173.7359 54 N 4.6594 8.9559 120.5001 54.1193 39.6039 175.8896 55 T 4.2990 7.6728 116.8702 61.8854 69.1859 174.4667 56 E 3.6378 8.7808 127.2699 59.3941 29.4247 178.7309 57 G 3.8157 7.8809 104.8293 48.2899 0.0000 175.3425 58 F 4.7295 7.8581 119.9382 60.3023 39.1031 177.7671 59 I 3.9114 8.0820 119.6228 64.2349 36.7458 178.6715 60 I 3.5893 7.8898 120.8615 64.4108 36.9165 177.7770 61 D 4.2761 8.2503 120.1824 57.7824 40.6250 179.4762 62 R 3.6431 7.7427 118.6582 59.2448 29.8412 178.5348 63 I 3.6227 7.5014 119.4779 64.4714 36.8084 178.2100 64 H 4.2261 8.2957 117.4183 58.9411 28.5781 177.3854 65 E 3.8948 8.3963 121.0317 59.2087 29.3715 178.7071 66 A 3.9861 8.0906 121.0443 54.8200 18.3366 179.3889 67 K 3.8419 7.8036 118.2134 59.9026 32.0728 179.0298 68 R 3.9275 7.4342 116.7076 59.4795 30.1204 178.4812 69 Q 4.2459 8.3842 115.2880 56.1244 28.6657 177.1187 70 G 3.8977 8.0467 108.2727 45.6490 0.0000 174.2091 71 V 3.6191 7.7918 119.5070 63.4880 31.6707 176.0416 72 G 4.1806 8.6617 113.2138 46.5287 0.0000 173.0075 73 F 4.9647 7.8155 120.8529 57.2443 43.1041 172.4763 74 V 5.0579 8.7774 124.0639 61.1262 34.7335 174.2221 75 V 4.8056 9.2657 128.0387 61.3451 33.5847 174.0358 76 I 5.1441 9.0070 128.4767 59.1859 41.5136 173.3448 77 N 5.2871 9.6065 127.7305 51.1336 40.9638 174.1878 78 A 4.5335 8.8099 128.7553 51.0251 20.5314 177.7196 79 G 3.7075 8.7819 106.8180 46.2780 0.0000 176.0969 80 A 4.1391 8.5995 121.1613 55.7731 18.6622 179.2903 81 Y 4.7918 7.5587 112.9268 61.5491 37.6682 178.7672 82 T 3.9429 8.0916 116.9318 66.7918 68.3441 175.0190 83 H 4.8770 8.4551 115.6162 56.2915 29.3936 175.6929 84 T 4.7278 8.3095 108.1795 59.9367 69.8366 174.4276 85 S 4.5665 7.8939 118.1599 55.6693 62.9226 173.8856 86 V 3.4214 7.6591 129.2483 65.1836 31.3696 177.7023 87 G 3.5093 7.7726 105.4128 47.6714 0.0000 175.6177 88 I 3.6049 7.9042 122.6301 63.9196 37.0916 178.0852 89 R 3.8001 7.4487 118.7187 60.0463 29.7872 178.2500 90 D 4.3592 8.5526 118.0917 56.8028 40.6861 178.7640 91 A 4.0138 7.9778 121.8267 55.0199 18.2648 179.5938 92 L 3.8701 8.0683 117.8438 57.9512 41.7085 179.8513 93 L 4.1565 8.1952 119.0998 57.7996 41.3573 179.8715 94 G 3.6288 8.1973 105.3368 47.6780 0.0000 175.1983 95 T 4.1164 8.0860 109.3505 61.1820 69.4252 174.2708 96 A 3.7919 7.4631 123.1599 53.2337 16.8793 176.7286 97 I 4.3330 7.3205 119.8358 61.1643 38.4090 175.1290 98 P 4.4585 0.0000 0.0000 62.3736 32.7639 175.1026 99 F 5.6674 7.3636 115.3280 55.0066 41.9181 172.9026 100 I 4.9097 8.6050 119.3511 59.5582 40.3949 173.9748 101 E 4.9887 8.9512 127.4474 54.9538 31.7412 174.7423 102 V 4.7327 8.5619 126.2045 61.3902 34.5989 173.6070 103 H 4.9010 8.7301 124.7886 54.0159 31.1734 175.5257 104 I 3.8191 8.6178 123.6845 63.7832 38.0504 176.2547 105 T 4.6706 7.7022 109.6372 59.2848 71.2770 173.7881 106 N 4.4949 8.4226 121.2787 52.9034 38.3507 175.7511 107 V 3.5333 8.2460 127.0010 64.9359 31.4080 177.7131 108 H 4.1101 7.8375 114.6848 56.8926 28.5909 175.5678 109 Q 4.3520 7.9284 117.9913 56.1775 29.4595 175.9566 110 R 4.8017 7.3547 118.4114 54.7741 32.3586 175.1365 111 E 3.9683 8.4824 118.9349 57.0280 30.3895 176.6270 112 P 3.6119 0.0000 0.0000 65.3628 31.3839 178.3217 113 F 4.1964 8.0608 112.7900 59.2921 37.6791 176.3813 114 R 3.7482 7.4574 118.8937 56.5576 30.2757 177.1122 115 H 4.4154 8.1071 116.5805 58.5217 28.9789 176.5389 116 Q 4.1244 7.3525 118.4418 55.9213 29.0271 175.7351 117 S 4.7904 8.0895 115.4056 57.0350 65.4801 173.0348 118 Y 4.6148 8.8465 123.9107 58.5071 38.0209 175.9774 119 L 4.7707 8.6786 122.0241 56.1312 43.9125 178.8720 120 S 4.3262 8.5548 114.0438 60.8864 62.8018 175.6149 121 D 4.5606 8.1276 116.6318 54.2865 39.6289 176.5910 122 K 4.3762 8.0539 117.8884 56.1979 33.5126 176.3133 123 A 2.7886 7.0808 121.4593 50.7813 19.3288 177.6610 124 V 3.7413 7.6550 121.3094 65.6620 32.0111 175.9978 125 A 4.6515 7.5215 119.4929 50.2965 23.2374 174.7854 126 V 4.7510 8.1723 118.1734 61.3551 34.0534 174.6709 127 I 4.5573 8.3181 129.6965 59.9743 39.1776 175.0452 128 C 4.9295 8.6734 121.2251 58.5531 31.9673 174.0559 129 G 3.9445 9.3220 112.7712 45.3604 0.0000 172.8039 130 L 4.4445 7.8089 119.1908 54.1034 42.5485 178.2589 131 G 4.0253 7.8516 107.7031 44.9661 0.0000 174.9599 132 V 3.8850 8.3874 117.2134 65.1170 31.2052 177.3443 133 Y 4.3568 8.3848 119.7967 60.2581 38.5123 177.8987 134 G 3.6634 8.2071 107.0576 48.2917 0.0000 175.1413 135 Y 4.1660 7.9944 118.8089 60.9924 37.7980 178.8426 136 T 4.0945 7.9856 117.2445 65.9896 68.6314 176.2627 137 A 3.7459 7.4342 122.3702 55.0753 18.3195 179.1604 138 A 3.9151 7.8114 119.2046 55.8131 18.3241 180.0483 139 I 3.6268 7.7650 117.9172 64.3251 36.9079 178.3265 140 E 3.9146 8.0677 118.8159 59.7350 29.6106 178.6123 141 Y 3.9592 8.0492 119.0988 60.3906 38.8718 177.5760 142 A 2.6791 7.9013 121.7534 54.9087 18.3099 179.5513 143 L 4.0794 7.9543 115.5994 56.6736 41.6915 178.3341 144 N 4.7049 7.4101 115.1680 52.1590 39.4790 173.9318 145 Y 4.4119 7.3274 122.6916 56.3129 40.1869 175.5082 146 Q 4.0895 7.8283 122.4983 56.2567 28.8115 176.2048 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 L 8.18 4.51 0.00 1.65 1.67 0.92 0.62 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 1 V 8.10 3.79 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 0.83 0.00 0.00 1.31 0.00 0.00 2 K 8.93 4.50 0.00 1.70 1.95 0.00 1.70 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.55 1.34 7.81 3 K 8.10 4.90 0.00 1.84 1.71 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.43 7.81 4 V 8.81 4.95 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 1.11 0.00 0.00 0.95 0.00 0.00 5 L 8.69 5.01 0.00 1.84 1.55 0.97 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 6 L 9.54 5.09 0.00 1.82 1.73 1.13 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 7 I 8.74 5.23 1.96 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.60 1.07 0.00 0.00 8 N 9.44 5.40 0.00 2.66 2.73 0.00 0.00 6.59 7.57 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 9 G 9.05 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 0.00 0.00 0.00 0.00 10 P 0.00 4.50 0.00 1.96 1.95 0.00 3.61 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.44 0.00 11 N 9.25 4.62 0.00 2.93 3.03 0.00 0.00 7.19 6.25 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 12 L 7.60 4.38 0.00 1.89 1.74 1.05 0.59 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 13 N 8.25 4.25 0.00 2.79 3.14 0.00 0.00 6.01 7.79 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 14 L 8.32 4.45 0.00 1.73 1.73 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.89 4.22 0.00 1.89 1.83 1.00 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.38 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 0.00 0.00 0.00 17 T 8.45 4.48 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 1.22 0.00 0.00 18 R 7.81 4.18 0.00 1.87 2.05 0.00 3.26 0.00 0.00 3.17 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.62 0.00 *23 Y 7.66 4.69 0.00 3.04 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 24 G 7.38 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 0.00 0.00 0.00 25 T 8.12 4.28 4.20 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 1.13 0.00 0.00 26 T 7.55 4.25 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 1.22 0.00 0.00 27 S 9.01 5.34 0.00 3.99 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 28 L 8.22 3.95 0.00 1.94 1.67 0.84 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.84 4.43 0.00 4.06 4.07 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 30 D 7.73 4.27 0.00 2.84 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 31 I 7.43 3.58 1.83 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.68 0.17 0.00 0.00 32 E 8.23 3.82 0.00 2.08 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 2.27 2.25 0.00 33 Q 8.46 4.03 0.00 2.29 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.82 0.00 0.00 0.00 0.00 0.00 2.48 2.56 0.00 34 A 8.05 3.98 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 35 A 7.99 3.93 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 36 I 7.80 3.65 2.03 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 1.69 0.65 0.91 0.00 0.00 37 E 8.35 3.99 0.00 2.02 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 2.33 2.31 0.00 38 Q 8.58 3.92 0.00 2.19 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 39 A 7.92 4.01 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 40 K 8.11 3.78 0.00 1.77 1.91 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.63 7.81 41 L 8.56 4.13 0.00 1.57 1.81 0.93 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 42 K 7.83 3.90 0.00 2.03 2.08 0.00 1.79 0.00 0.00 1.76 0.00 0.00 3.09 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.47 1.54 7.81 43 N 8.16 4.32 0.00 2.88 2.89 0.00 0.00 6.75 8.13 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 44 N 7.73 4.97 0.00 2.74 2.81 0.00 0.00 6.32 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 45 D 8.28 4.33 0.00 2.84 2.78 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 0.00 0.00 0.00 46 S 7.71 4.73 0.00 3.86 3.81 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 47 E 9.13 4.61 0.00 2.00 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 2.23 2.25 0.00 48 V 8.45 4.76 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 0.89 0.00 0.00 0.95 0.00 0.00 49 L 8.89 4.56 0.00 1.67 1.60 0.94 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 50 V 8.12 5.07 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 0.69 0.00 0.00 0.95 0.00 0.00 51 F 8.86 4.87 0.00 3.13 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 52 Q 7.52 5.38 0.00 1.95 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.50 0.00 0.00 0.00 0.00 0.00 2.49 2.08 0.00 53 S 8.40 4.60 0.00 3.82 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 54 N 8.96 4.66 0.00 2.77 2.85 0.00 0.00 6.94 7.54 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 55 T 7.67 4.30 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 0.30 0.00 0.00 56 E 8.78 3.64 0.00 1.16 1.59 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 2.07 1.77 0.00 57 G 7.88 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 0.00 0.00 0.00 58 F 7.86 4.73 0.00 3.34 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 59 I 8.08 3.91 2.08 0.00 0.00 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 1.94 1.56 0.99 0.00 0.00 60 I 7.89 3.59 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.68 0.74 0.00 0.00 61 D 8.25 4.28 0.00 2.86 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 62 R 7.74 3.64 0.00 1.05 1.43 0.00 2.76 0.00 0.00 2.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.28 0.00 63 I 7.50 3.62 1.93 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.84 0.89 0.00 0.00 64 H 8.30 4.23 0.00 3.25 3.29 0.00 5.64 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 65 E 8.40 3.89 0.00 2.02 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 2.27 2.35 0.00 66 A 8.09 3.99 1.36 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 67 K 7.80 3.84 0.00 1.78 1.81 0.00 1.64 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.44 1.64 7.81 68 R 7.43 3.93 0.00 1.96 1.99 0.00 3.21 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.68 0.00 69 Q 8.38 4.25 0.00 2.18 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.23 0.00 0.00 0.00 0.00 0.00 2.40 2.37 0.00 70 G 8.05 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 71 V 7.79 3.62 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 0.91 0.00 0.00 0.99 0.00 0.00 72 G 8.66 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 0.00 0.00 0.00 0.00 73 F 7.82 4.96 0.00 3.08 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 74 V 8.78 5.06 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 0.98 0.00 0.00 0.96 0.00 0.00 75 V 9.27 4.81 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 1.04 0.00 0.00 1.05 0.00 0.00 76 I 9.01 5.14 1.89 0.00 0.00 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 1.12 1.52 0.95 0.00 0.00 77 N 9.61 5.29 0.00 2.81 2.87 0.00 0.00 6.90 8.02 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 78 A 8.81 4.53 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 G 8.78 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 0.00 0.00 0.00 80 A 8.60 4.14 1.29 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 0.00 0.00 81 Y 7.56 4.79 0.00 3.21 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 82 T 8.09 3.94 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 1.28 0.00 0.00 83 H 8.46 4.88 0.00 3.25 3.52 0.00 5.79 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 T 8.31 4.73 4.34 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 1.34 0.00 0.00 85 S 7.89 4.57 0.00 3.65 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 86 V 7.66 3.42 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 0.83 0.00 0.00 0.01 0.00 0.00 87 G 7.77 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 I 7.90 3.60 1.81 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.58 0.80 0.00 0.00 89 R 7.45 3.80 0.00 2.09 2.11 0.00 3.12 0.00 0.00 3.21 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.87 0.00 90 D 8.55 4.36 0.00 2.95 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 91 A 7.98 4.01 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 92 L 8.07 3.87 0.00 1.55 1.63 0.01 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.20 4.16 0.00 1.71 1.74 0.97 0.85 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 94 G 8.20 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 8.09 4.12 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 96 A 7.46 3.79 1.36 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 97 I 7.32 4.33 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 1.39 0.63 0.90 0.00 0.00 98 P 0.00 4.46 0.00 0.84 1.60 0.00 3.42 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.10 0.00 99 F 7.36 5.67 0.00 3.03 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 0.00 100 I 8.61 4.91 2.01 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 1.20 1.17 0.93 0.00 0.00 101 E 8.95 4.99 0.00 2.23 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 2.16 2.26 0.00 102 V 8.56 4.73 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 0.11 0.00 0.00 0.75 0.00 0.00 103 H 8.73 4.90 0.00 3.07 3.13 0.00 5.67 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 I 8.62 3.82 1.93 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.17 0.99 0.00 0.00 105 T 7.70 4.67 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 1.25 0.00 0.00 106 N 8.42 4.49 0.00 2.78 2.77 0.00 0.00 6.65 7.71 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 0.00 107 V 8.25 3.53 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 0.43 0.00 0.00 0.82 0.00 0.00 108 H 7.84 4.11 0.00 3.11 3.24 0.00 5.69 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 Q 7.93 4.35 0.00 2.31 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.01 6.60 0.00 0.00 0.00 0.00 0.00 2.33 2.30 0.00 110 R 7.35 4.80 0.00 1.83 1.65 0.00 3.12 0.00 0.00 3.14 7.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.49 0.00 111 E 8.48 3.97 0.00 1.16 1.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 112 P 0.00 3.61 0.00 2.13 1.98 0.00 3.48 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 2.05 2.02 0.00 113 F 8.06 4.20 0.00 3.20 3.30 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 0.00 114 R 7.46 3.75 0.00 1.55 1.72 0.00 2.89 0.00 0.00 3.08 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.94 0.50 0.00 115 H 8.11 4.42 0.00 3.13 3.35 0.00 5.68 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 Q 7.35 4.12 0.00 2.19 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.61 0.00 0.00 0.00 0.00 0.00 2.37 2.27 0.00 117 S 8.09 4.79 0.00 3.84 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 0.00 118 Y 8.85 4.61 0.00 3.06 2.95 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 0.00 119 L 8.68 4.77 0.00 1.77 1.97 0.89 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 120 S 8.55 4.33 0.00 3.91 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 0.00 121 D 8.13 4.56 0.00 2.80 2.80 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 0.00 122 K 8.05 4.38 0.00 2.01 2.00 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.45 1.60 7.81 123 A 7.08 2.79 1.08 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 0.00 0.00 124 V 7.66 3.74 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 0.79 0.00 0.00 0.65 0.00 0.00 125 A 7.52 4.65 0.94 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 0.00 0.00 126 V 8.17 4.75 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 0.95 0.00 0.00 0.99 0.00 0.00 127 I 8.32 4.56 1.78 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 1.21 0.67 0.86 0.00 0.00 128 C 8.67 4.93 0.00 3.01 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 0.00 129 G 9.32 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 0.00 0.00 0.00 130 L 7.81 4.44 0.00 1.63 1.71 1.01 1.18 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 0.00 131 G 7.85 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 0.00 132 V 8.39 3.88 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 0.93 0.00 0.00 1.08 0.00 0.00 133 Y 8.38 4.36 0.00 3.09 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 0.00 134 G 8.21 3.66 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 Y 7.99 4.17 0.00 3.12 2.94 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 0.00 136 T 7.99 4.09 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 1.22 0.00 0.00 137 A 7.43 3.75 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 0.00 138 A 7.81 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 0.00 139 I 7.77 3.63 2.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.79 0.90 0.00 0.00 140 E 8.07 3.91 0.00 2.09 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 2.33 2.48 0.00 141 Y 8.05 3.96 0.00 3.01 2.98 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 0.00 142 A 7.90 2.68 0.90 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 0.00 143 L 7.95 4.08 0.00 1.62 1.70 0.90 0.90 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 0.00 144 N 7.41 4.70 0.00 2.57 2.67 0.00 0.00 6.86 7.62 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 0.00 145 Y 7.33 4.41 0.00 3.01 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 0.00 146 Q 7.83 4.09 0.00 1.78 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.42 0.00 0.00 0.00 0.00 0.00 2.26 2.18 0.00 * Residues marked with a * may have inaccurate shift predictions.