NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 T 4.2756 8.1593 117.3754 63.4119 69.9124 172.4273 3 T 4.0209 8.2425 113.0113 60.2009 69.0224 172.3959 4 P 4.4561 0.0000 0.0000 61.0548 33.0582 175.8507 5 P 4.3627 0.0000 0.0000 62.3107 31.7537 175.9979 6 A 4.0609 8.4593 122.0823 52.8485 18.7109 177.8349 7 R 4.2562 8.9477 122.0247 55.4790 31.1299 177.6411 8 T 3.9733 8.4294 112.1915 61.9537 70.4691 175.0704 9 A 3.9966 8.7047 125.0671 55.3806 18.3655 180.0715 10 K 3.8431 7.9703 117.4359 59.9207 32.3079 178.9966 11 Q 4.0206 8.1725 118.2718 58.8526 28.5384 178.7997 12 R 3.9399 8.2565 119.3919 59.2288 30.0998 179.1729 13 I 3.4854 8.1103 120.0593 64.1672 37.0467 178.2004 14 Q 3.8119 7.8855 120.3376 59.2989 28.9207 178.0349 15 D 4.3435 8.2967 120.1105 57.7325 40.8661 179.0347 16 T 3.8541 8.1660 116.4166 66.6476 68.4688 176.7173 17 L 3.9319 8.1923 121.1977 57.7953 41.7341 179.2552 18 N 4.3103 8.2437 116.4211 56.3118 38.4368 177.3075 19 R 3.9017 8.0470 119.8909 59.6252 29.9890 178.6357 20 L 4.1347 7.6477 118.6046 57.2570 41.5242 179.0916 21 E 4.3501 8.1643 117.8356 58.6245 29.4430 178.6343 22 L 4.3343 7.4499 117.6987 56.0853 42.7116 177.3501 23 D 4.5755 7.6675 117.1109 54.3719 41.5873 176.0422 24 V 3.8100 8.1840 120.2859 63.0855 34.1377 174.9027 25 D 5.6606 8.0466 117.7074 52.3332 43.9485 175.5662 26 A 4.9310 9.0238 122.1359 49.8229 23.2097 175.4078 27 W 4.5385 9.1328 121.3542 56.6464 30.6245 175.5820 28 V 4.6231 9.4679 125.8853 61.4317 33.0320 173.9468 29 S 5.3843 9.3489 124.5523 56.8788 64.5075 173.0576 30 T 5.2787 9.0181 116.0959 60.1162 72.8701 172.1830 31 A 5.0917 8.3764 121.6878 49.7813 22.0396 176.3890 32 G 3.9381 9.1705 108.8900 45.7806 0.0000 174.7889 33 A 4.1201 8.8284 125.6755 54.5484 18.5732 178.1257 34 D 4.5992 7.9391 113.2187 53.9322 41.5513 177.1859 35 G 3.9520 7.8334 106.6691 46.2155 0.0000 173.5247 36 G 4.0326 8.5017 106.8479 46.4986 0.0000 173.9741 37 A 4.8440 7.4810 117.9146 48.9625 18.7894 174.6154 38 P 4.8825 0.0000 0.0000 62.4532 33.0230 176.3978 39 Y 4.4937 8.9465 121.6625 56.0481 42.7750 173.6117 40 L 5.2921 7.9748 126.2140 53.9371 45.3783 175.3129 41 V 4.9901 8.9481 118.3029 59.4249 36.7046 171.9080 42 P 4.8333 0.0000 0.0000 62.3126 32.3546 175.2917 43 L 4.9997 8.7557 122.1977 52.9579 45.8903 176.1297 44 S 5.0677 8.8812 117.8487 58.6321 63.9340 173.0660 45 Y 5.4085 8.7653 120.4826 55.3488 42.0603 173.6201 46 L 4.7683 9.4953 123.0986 53.2746 44.3960 174.6042 47 W 5.3155 9.2646 135.0000 55.6993 32.1719 175.0423 48 D 4.4687 7.8499 125.3602 52.8595 39.2127 177.0788 49 G 3.7796 6.1050 108.8805 45.2896 0.0000 174.3777 50 E 4.4241 7.4875 113.8218 55.8461 32.0643 175.2845 51 T 4.8862 7.1467 107.7787 59.8097 72.9780 172.9463 52 F 5.3811 9.2928 121.0635 56.5985 41.3437 174.6246 53 L 5.4827 9.4855 124.1935 53.6795 44.8262 175.7291 54 V 5.4996 9.1950 118.0067 59.9637 36.5480 174.0657 55 A 5.1860 8.8073 121.6797 51.3388 21.9295 175.4664 56 T 4.6354 8.9538 114.9165 59.9292 71.8264 171.3421 57 P 3.9429 0.0000 0.0000 62.2514 31.8837 177.5567 58 A 3.9724 8.5704 125.8511 55.0768 18.3373 178.3317 59 A 4.3892 7.7095 115.5776 52.3355 19.5996 178.1133 60 S 4.2197 7.6252 112.4802 57.2883 64.9939 173.2436 61 P 3.9523 0.0000 0.0000 66.2064 30.8363 179.0467 62 T 3.7483 7.3881 113.6676 66.4085 68.4345 176.4802 63 G 3.6918 7.8664 107.5208 48.0604 0.0000 175.6791 64 R 3.9222 8.1863 121.3186 59.0151 29.9871 179.0398 65 N 4.3515 8.3911 116.5335 56.1724 38.4659 177.6147 66 L 3.8139 8.0029 120.8317 57.6801 41.3526 179.6667 67 S 4.3079 8.2181 114.4239 61.7412 62.9279 176.1516 68 E 4.2953 8.5107 120.0544 57.9394 29.5787 177.9552 69 T 4.4784 7.9488 108.1901 60.4607 70.7058 175.4162 70 G 3.9372 8.0270 107.9954 45.8175 0.0000 172.3806 71 R 5.2087 7.4487 118.4359 54.3220 32.1412 176.1175 72 V 4.6993 8.3806 120.9284 60.5978 35.4286 173.0827 73 R 5.0879 8.9859 121.8976 54.4575 33.2352 174.6139 74 L 5.1099 9.0372 123.6304 52.8205 44.7371 175.5374 75 G 4.4123 9.1273 111.3473 44.6275 0.0000 172.2387 76 I 4.8427 9.1188 127.1086 60.6273 41.1156 176.5294 77 G 4.0606 8.9526 111.4737 43.9157 0.0000 171.0858 78 P 4.4414 0.0000 0.0000 62.4469 31.7131 178.2100 79 T 3.8477 8.4088 110.7341 64.0338 69.2362 175.3448 80 R 4.3984 7.7673 119.9577 55.9151 30.8950 175.8144 81 D 5.0059 7.7726 116.8807 53.2304 41.1846 174.1093 82 L 4.8433 7.8533 121.8181 53.9828 44.3655 177.1913 83 V 4.6160 8.7143 119.8291 61.0469 34.7515 173.8069 84 L 5.1941 9.3220 130.0851 53.2267 44.9913 174.8915 85 V 4.7965 8.8315 126.5534 61.0616 34.4183 173.5156 86 E 4.9353 9.2806 129.7638 54.8297 31.3956 174.9269 87 G 4.6931 9.2335 113.6079 44.8702 0.0000 170.6846 88 T 5.2877 8.6356 109.3763 59.6145 71.4434 172.9109 89 A 5.3704 8.9901 126.9993 50.1920 21.4315 175.6577 90 L 5.0385 8.9601 121.8563 52.1383 45.2681 174.3522 91 P 4.2653 0.0000 0.0000 62.4048 32.8143 175.4968 92 L 4.7130 8.6895 122.0758 52.6109 45.3845 176.1191 93 E 4.3375 8.8083 123.7678 55.8420 30.2130 176.2982 94 P 4.4639 0.0000 0.0000 65.6991 31.6390 178.4494 95 A 4.0960 8.1186 119.5496 54.0121 18.4265 177.9026 96 G 3.9227 7.5791 102.9312 45.0781 0.0000 173.9705 97 L 3.8452 7.3875 122.6884 53.9836 42.7272 175.3634 98 P 4.2262 0.0000 0.0000 63.0886 33.0680 176.9813 99 D 4.4182 8.7160 121.8145 57.6283 40.8183 179.5397 100 G 3.5632 7.9604 105.5952 47.5986 0.0000 175.7271 101 V 3.6392 7.7202 120.2974 65.7403 31.6924 177.8963 102 G 3.6997 7.8844 105.4199 48.1710 0.0000 175.2772 103 D 4.3972 8.2391 121.1532 57.3688 40.7933 179.0150 104 T 3.8464 8.2261 116.5892 66.4330 68.4052 176.2644 105 F 4.0015 8.6744 122.8132 61.5414 39.4324 177.1447 106 A 4.5804 8.1901 121.4235 54.6929 17.8997 179.4923 107 E 3.9067 8.2023 116.6413 59.4053 29.6077 179.1791 108 K 4.0325 8.1081 119.1564 58.8651 32.3966 178.0908 109 T 4.3234 7.8209 107.4957 60.8543 69.9621 175.6185 110 G 4.0179 8.5217 109.6652 45.1908 0.0000 172.7431 111 F 5.0085 8.1054 113.3620 54.9640 41.2544 173.6413 112 D 4.4928 8.3181 119.5285 51.4862 42.0318 173.6293 113 P 3.7792 0.0000 0.0000 65.4147 31.4937 179.2713 114 R 3.9703 8.0260 116.0158 58.7907 30.0126 177.8089 115 R 4.3142 7.6567 114.9546 56.7227 30.8066 176.8297 116 L 4.2867 7.1321 118.7773 54.4237 42.3260 177.2592 117 T 4.1348 8.4744 112.7385 64.5102 69.4338 175.8466 118 T 3.8371 7.9328 117.5520 63.7869 69.0121 173.3558 119 S 4.3851 8.7549 120.4136 58.7863 63.0786 172.3399 120 Y 4.9182 8.7242 124.8729 56.4455 40.2473 175.2122 121 L 4.8008 8.5542 121.1215 53.1189 45.3575 175.8892 122 Y 4.7207 8.6127 119.8427 57.7769 39.8166 174.4957 123 F 5.1383 9.2426 120.2162 55.7899 42.9142 173.9326 124 R 5.0336 9.0959 124.6442 55.2433 31.8439 174.7869 125 I 5.0241 9.2843 127.6520 59.7972 40.1892 174.6116 126 S 5.1107 9.0706 124.2821 56.4833 64.3935 172.1254 127 P 4.6656 0.0000 0.0000 63.0687 32.0381 176.7027 128 R 4.4687 9.4284 122.8813 57.1992 32.7132 176.3321 129 R 4.9620 7.8130 116.0227 54.2342 34.5698 174.8496 130 V 4.9115 8.1674 120.5436 61.4576 35.1353 173.9174 131 Q 5.5158 9.6836 126.2227 54.4781 32.1775 174.5414 132 A 5.3275 9.5227 123.6528 50.4853 22.5710 175.2077 133 W 4.6658 8.3143 117.2581 56.2402 30.7612 174.2978 134 R 4.3033 9.7870 123.7584 56.3559 30.0743 179.0364 135 E 4.9514 8.1807 112.4908 53.5422 34.1686 178.5218 136 A 4.1260 8.7686 116.4795 57.1045 17.7883 179.1867 137 N 4.2367 8.2269 114.2641 55.8566 36.5165 175.9275 138 E 4.6336 9.2680 118.2344 55.5704 30.3570 177.5661 139 L 3.4897 7.6356 120.9056 57.7210 41.4472 179.3311 140 S 3.9857 8.0169 111.6825 60.9818 61.5258 175.1556 141 G 4.1861 7.4215 105.1966 45.3097 0.0000 175.8289 142 R 4.3740 7.6288 119.2288 57.4800 29.7928 175.8084 143 E 4.5496 7.5192 120.4609 55.8709 29.5562 175.6458 144 L 4.6094 9.3055 126.1415 54.8088 42.3385 176.0137 *146 R 4.1331 7.6172 119.0609 57.4260 31.0535 174.8647 147 D 4.4889 9.5601 123.2217 55.6340 38.2527 174.5994 148 G 3.8441 8.2459 103.5482 45.0051 0.0000 173.0613 149 E 4.5415 7.6585 119.6019 53.3531 32.0356 175.6712 150 W 4.5956 8.7392 126.0663 57.0176 29.9204 176.0889 151 L 4.4112 9.1831 121.4039 55.0066 41.2883 176.4676 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 T 8.16 4.28 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 3 T 8.24 4.02 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 1.22 0.00 0.00 4 P 0.00 4.46 0.00 2.08 2.03 0.00 3.70 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 2.03 2.07 0.00 5 P 0.00 4.36 0.00 2.18 2.07 0.00 3.80 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 1.98 0.00 6 A 8.46 4.06 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 7 R 8.95 4.26 0.00 1.92 1.89 0.00 3.23 0.00 0.00 3.38 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.67 0.00 8 T 8.43 3.97 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 9 A 8.70 4.00 1.42 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 0.00 0.00 10 K 7.97 3.84 0.00 1.93 1.81 0.00 1.84 0.00 0.00 1.82 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.51 1.10 7.81 11 Q 8.17 4.02 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 12 R 8.26 3.94 0.00 2.05 2.03 0.00 3.38 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 1.70 1.81 0.00 13 I 8.11 3.49 1.82 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.63 0.14 0.00 0.00 14 Q 7.89 3.81 0.00 2.16 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.28 0.00 15 D 8.30 4.34 0.00 2.86 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 16 T 8.17 3.85 4.33 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 1.32 0.00 0.00 17 L 8.19 3.93 0.00 1.66 1.73 0.65 0.87 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 18 N 8.24 4.31 0.00 2.87 2.87 0.00 0.00 6.66 7.28 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 19 R 8.05 3.90 0.00 2.00 2.12 0.00 3.30 0.00 0.00 3.31 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.74 0.00 20 L 7.65 4.13 0.00 1.26 0.83 -0.13 0.69 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 21 E 8.16 4.35 0.00 2.19 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 0.00 2.60 2.72 0.00 22 L 7.45 4.33 0.00 1.75 1.72 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.67 4.58 0.00 2.93 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 24 V 8.18 3.81 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 0.95 0.00 0.00 0.81 0.00 0.00 25 D 8.05 5.66 0.00 2.45 2.39 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 26 A 9.02 4.93 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 27 W 9.13 4.54 0.00 3.39 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 28 V 9.47 4.62 2.27 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 0.94 0.00 0.00 1.03 0.00 0.00 29 S 9.35 5.38 0.00 3.89 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 30 T 9.02 5.28 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 1.16 0.00 0.00 31 A 8.38 5.09 1.19 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 0.00 0.00 0.00 0.00 0.00 32 G 9.17 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 0.00 0.00 0.00 33 A 8.83 4.12 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 34 D 7.94 4.60 0.00 2.68 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 35 G 7.83 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 0.00 0.00 0.00 36 G 8.50 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 37 A 7.48 4.84 1.24 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 38 P 0.00 4.88 0.00 2.04 2.05 0.00 3.72 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.93 0.00 39 Y 8.95 4.49 0.00 3.05 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 40 L 7.97 5.29 0.00 1.54 1.35 1.07 0.30 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 41 V 8.95 4.99 2.21 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 0.90 0.00 0.00 1.05 0.00 0.00 42 P 0.00 4.83 0.00 1.68 0.92 0.00 3.72 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.59 0.00 43 L 8.76 5.00 0.00 1.69 1.74 1.03 0.87 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 44 S 8.88 5.07 0.00 3.96 3.76 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 45 Y 8.77 5.41 0.00 3.35 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 46 L 9.50 4.77 0.00 1.84 1.89 0.97 1.05 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 47 W 9.26 5.32 0.00 3.45 3.19 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 0.00 0.00 0.00 48 D 7.85 4.47 0.00 2.59 2.58 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 49 G 6.10 3.78 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 0.00 0.00 0.00 50 E 7.49 4.42 0.00 1.92 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 1.97 2.08 0.00 51 T 7.15 4.89 4.51 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 1.21 0.00 0.00 52 F 9.29 5.38 0.00 3.20 3.18 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 53 L 9.49 5.48 0.00 1.90 1.83 0.99 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 54 V 9.20 5.50 2.38 0.00 0.00 0.00 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 1.19 0.00 0.00 55 A 8.81 5.19 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.95 4.64 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 1.29 0.00 0.00 57 P 0.00 3.94 0.00 1.98 1.66 0.00 3.40 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.24 0.00 58 A 8.57 3.97 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 59 A 7.71 4.39 1.24 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 60 S 7.63 4.22 0.00 3.93 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 61 P 0.00 3.95 0.00 0.49 1.40 0.00 3.27 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.98 0.00 62 T 7.39 3.75 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 1.11 0.00 0.00 63 G 7.87 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 64 R 8.19 3.92 0.00 1.98 1.94 0.00 3.06 0.00 0.00 3.12 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.71 0.00 65 N 8.39 4.35 0.00 2.59 2.90 0.00 0.00 7.10 6.34 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 66 L 8.00 3.81 0.00 0.61 0.82 0.05 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 67 S 8.22 4.31 0.00 4.07 4.02 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 68 E 8.51 4.30 0.00 1.96 2.00 0.00 0.00 0.00 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 2.36 0.00 69 T 7.95 4.48 4.23 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 1.27 0.00 0.00 70 G 8.03 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 71 R 7.45 5.21 0.00 1.66 1.84 0.00 3.18 0.00 0.00 3.28 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.75 0.00 72 V 8.38 4.70 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 0.75 0.00 0.00 0.94 0.00 0.00 73 R 8.99 5.09 0.00 1.71 1.83 0.00 3.24 0.00 0.00 3.16 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.71 0.00 74 L 9.04 5.11 0.00 1.23 1.26 -0.19 0.49 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 75 G 9.13 4.41 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 0.00 76 I 9.12 4.84 1.83 0.00 0.00 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.60 1.03 0.00 0.00 77 G 8.95 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 78 P 0.00 4.44 0.00 2.15 1.97 0.00 3.80 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.07 0.00 79 T 8.41 3.85 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 1.19 0.00 0.00 80 R 7.77 4.40 0.00 1.81 1.93 0.00 3.30 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.51 0.00 81 D 7.77 5.01 0.00 2.60 2.48 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 82 L 7.85 4.84 0.00 1.55 1.59 0.18 -0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 83 V 8.71 4.62 2.05 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 0.97 0.00 0.00 0.92 0.00 0.00 84 L 9.32 5.19 0.00 1.74 1.61 0.97 0.92 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 85 V 8.83 4.80 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 0.97 0.00 0.00 0.91 0.00 0.00 86 E 9.28 4.94 0.00 2.07 1.80 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 2.23 2.25 0.00 87 G 9.23 4.69 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 88 T 8.64 5.29 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 1.23 0.00 0.00 89 A 8.99 5.37 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 90 L 8.96 5.04 0.00 1.63 1.57 0.95 0.92 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 91 P 0.00 4.27 0.00 1.91 1.96 0.00 3.76 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 2.05 0.00 92 L 8.69 4.71 0.00 1.46 1.46 0.84 1.05 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 93 E 8.81 4.34 0.00 1.97 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 2.37 2.27 0.00 94 P 0.00 4.46 0.00 2.24 2.29 0.00 3.64 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.16 0.00 95 A 8.12 4.10 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 96 G 7.58 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 97 L 7.39 3.85 0.00 1.22 1.32 0.46 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 98 P 0.00 4.23 0.00 2.11 1.92 0.00 3.51 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 2.04 2.13 0.00 99 D 8.72 4.42 0.00 2.65 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 0.00 100 G 7.96 3.56 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 0.00 0.00 0.00 0.00 101 V 7.72 3.64 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 0.97 0.00 0.00 0.87 0.00 0.00 102 G 7.88 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.24 4.40 0.00 2.87 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 0.00 104 T 8.23 3.85 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 1.22 0.00 0.00 105 F 8.67 4.00 0.00 3.13 3.26 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 0.00 106 A 8.19 4.58 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 3.91 0.00 2.33 2.00 0.00 0.00 0.00 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 2.19 0.00 108 K 8.11 4.03 0.00 1.64 1.87 0.00 1.52 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.34 1.28 7.81 109 T 7.82 4.32 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 0.39 0.00 0.00 110 G 8.52 4.02 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 0.00 0.00 0.00 111 F 8.11 5.01 0.00 3.17 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 0.00 112 D 8.32 4.49 0.00 2.66 2.55 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 0.00 113 P 0.00 3.78 0.00 1.45 1.56 0.00 3.35 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 1.59 0.00 114 R 8.03 3.97 0.00 1.83 2.02 0.00 3.33 0.00 0.00 3.53 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.78 0.00 115 R 7.66 4.31 0.00 2.20 1.97 0.00 3.27 0.00 0.00 3.22 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 116 L 7.13 4.29 0.00 1.61 1.53 0.92 0.89 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 0.00 117 T 8.47 4.13 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 1.23 0.00 0.00 118 T 7.93 3.84 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 1.29 0.00 0.00 119 S 8.75 4.39 0.00 3.94 3.78 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 0.00 120 Y 8.72 4.92 0.00 2.73 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 0.00 121 L 8.55 4.80 0.00 1.38 0.93 0.90 1.04 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 0.00 122 Y 8.61 4.72 0.00 2.86 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 0.00 123 F 9.24 5.14 0.00 3.12 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 0.00 124 R 9.10 5.03 0.00 1.93 1.86 0.00 3.05 0.00 0.00 3.18 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.84 0.00 125 I 9.28 5.02 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.06 1.00 0.00 0.00 126 S 9.07 5.11 0.00 3.81 3.83 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 0.00 127 P 0.00 4.67 0.00 2.07 2.10 0.00 3.69 0.00 0.00 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.62 0.00 128 R 9.43 4.47 0.00 1.74 1.91 0.00 3.22 0.00 0.00 3.18 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.72 0.00 129 R 7.81 4.96 0.00 1.68 1.76 0.00 3.22 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.72 0.00 130 V 8.17 4.91 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 1.19 0.00 0.00 0.78 0.00 0.00 131 Q 9.68 5.52 0.00 2.35 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.51 0.00 0.00 0.00 0.00 0.00 2.30 2.36 0.00 132 A 9.52 5.33 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 0.00 133 W 8.31 4.67 0.00 3.44 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 0.00 134 R 9.79 4.30 0.00 1.84 2.11 0.00 3.30 0.00 0.00 3.13 7.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.70 0.00 135 E 8.18 4.95 0.00 1.89 1.81 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 2.12 2.08 0.00 136 A 8.77 4.13 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 0.00 137 N 8.23 4.24 0.00 2.91 3.04 0.00 0.00 5.86 7.66 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 0.00 138 E 9.27 4.63 0.00 2.14 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 0.00 2.29 2.38 0.00 139 L 7.64 3.49 0.00 1.71 1.47 0.83 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 140 S 8.02 3.99 0.00 3.78 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 G 7.42 4.19 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 0.00 0.00 0.00 0.00 0.00 0.00 142 R 7.63 4.37 0.00 2.20 2.36 0.00 2.49 0.00 0.00 2.25 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.43 0.00 143 E 7.52 4.55 0.00 2.12 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 2.33 2.28 0.00 144 L 9.31 4.61 0.00 2.00 2.06 1.10 0.89 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 *146 R 7.62 4.13 0.00 1.86 1.83 0.00 3.33 0.00 0.00 3.34 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.65 0.00 147 D 9.56 4.49 0.00 2.82 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 0.00 148 G 8.25 3.84 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 0.00 0.00 0.00 149 E 7.66 4.54 0.00 1.83 1.79 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 2.26 2.26 0.00 150 W 8.74 4.60 0.00 3.36 3.12 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 0.00 151 L 9.18 4.41 0.00 1.66 1.62 0.99 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.