NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -2 S 4.5102 8.3193 115.4121 57.9502 64.4036 173.5065 -1 N 4.4162 8.3119 120.9693 51.6272 38.4945 174.6088 0 A 4.0419 9.1991 116.7282 53.5452 19.0774 180.2578 0 E 4.0719 9.3791 113.1282 57.6452 29.8774 179.0578 3 N 4.2177 8.4587 116.0383 56.7867 39.1268 175.7451 4 Q 4.0952 7.9661 117.2070 59.0644 29.5308 178.6246 5 K 4.1464 7.7857 119.2150 56.3190 31.3027 177.9870 *7 Q 4.2820 8.0847 116.9536 54.9223 30.6985 175.6826 8 E 3.9873 7.7849 119.0202 55.1867 30.0462 174.8051 9 P 4.2439 0.0000 0.0000 62.6794 31.9740 175.4624 10 L 4.3752 8.1980 122.6068 53.1177 43.5843 175.8574 11 V 3.8731 7.7993 125.4680 60.5318 33.6013 174.7007 12 Y 4.2615 8.1430 125.1422 58.4803 38.2893 176.4839 13 R 4.2597 9.4745 122.8615 57.8543 31.1173 177.2685 14 R 4.6542 8.6377 117.4969 55.2755 34.4853 174.1568 15 I 4.7737 8.9673 126.0324 59.4306 39.8507 174.5731 16 L 4.9433 9.0694 129.5359 53.2642 44.3584 174.5641 17 L 4.9508 8.8191 129.9648 54.1300 43.6761 175.0186 18 T 5.0500 8.7184 123.9206 62.1967 69.8447 174.6062 19 V 4.6577 8.8033 119.2999 59.7908 35.6799 175.1597 20 D 5.1875 8.3214 122.3545 51.8004 41.6571 175.3446 21 E 4.1391 8.5088 115.1759 57.6625 30.3172 175.8650 22 D 4.4229 8.2007 120.2740 53.5888 41.9315 175.1086 23 D 4.7376 8.5124 125.8379 52.6795 41.4352 174.9522 24 N 5.1300 8.8968 124.3988 50.3701 42.0732 175.0935 25 T 4.0454 8.3923 116.0823 67.1348 68.3492 176.9801 26 S 4.1843 8.1063 116.7076 61.5377 62.9062 176.7482 27 S 4.1922 8.8805 117.5484 61.1956 62.7342 176.2184 28 E 4.0783 8.4015 122.9539 59.3744 29.4117 179.1166 29 R 3.9971 8.3307 117.9448 58.9817 30.0124 178.8619 30 A 4.0736 8.4552 121.1395 55.1697 18.3674 179.4540 31 F 4.0018 8.4756 119.1355 61.5580 39.4273 177.5810 32 R 3.8045 8.4891 117.9815 59.2160 29.7499 178.4814 33 Y 4.0643 8.4932 119.5182 60.7093 38.8891 177.8303 34 A 3.6958 8.0960 122.0649 55.2958 18.3618 179.6547 35 T 3.7459 7.6750 108.1919 64.7145 68.9509 177.3427 36 T 3.7449 7.9158 118.9499 66.2076 68.4633 176.2008 37 L 3.9560 7.7512 122.1882 58.2870 42.1876 178.9562 38 A 4.0285 7.9686 120.6134 55.2563 18.3717 179.1972 39 H 4.0457 8.5102 117.0793 59.6831 29.8333 177.4101 40 D 4.3091 8.3856 119.6369 56.5496 40.6787 177.3130 41 Y 4.4796 7.8508 114.3323 56.3191 39.8193 174.7051 42 D 4.4132 7.6446 117.4732 55.6778 39.8267 172.8022 43 V 4.6795 7.6549 111.2530 58.7618 35.9749 176.0237 44 P 4.7673 0.0000 0.0000 62.6868 32.9105 174.9981 45 L 5.2618 9.1738 124.5166 53.2895 45.2927 175.3300 46 G 3.9102 9.1447 112.9147 44.1521 0.0000 171.8565 47 I 4.9326 8.5236 123.8391 59.4369 40.1247 174.0774 48 C 5.8692 9.1011 127.9045 56.9799 34.6318 172.5027 49 S 5.1463 8.4989 117.8275 56.9257 66.5688 172.2274 50 V 4.8882 8.1884 121.6596 61.0250 33.6228 174.9111 51 L 4.5282 9.1098 128.3400 53.9913 43.3469 175.8722 52 E 4.2804 8.5572 122.6837 56.1257 30.3409 176.1515 53 S 4.8227 8.3604 121.4462 56.4150 65.3124 173.9923 54 E 4.0508 8.5126 121.9541 56.6247 29.9874 176.0599 55 D 4.8327 8.4572 122.0814 52.4002 42.3883 177.3620 56 I 3.8263 8.4130 120.2014 63.3997 37.7979 176.3069 57 N 4.6256 8.6494 117.3306 53.3207 38.6768 174.6933 58 I 4.3509 7.8131 120.2847 59.4054 38.3841 174.9843 59 F 4.6419 8.5788 127.9268 56.5055 40.9655 173.3168 60 D 4.4181 7.6207 126.1780 52.5733 41.6437 175.3257 61 S 4.1330 8.4063 113.2394 60.2052 63.8399 175.5021 62 L 4.2506 7.9611 121.7364 57.2235 42.2738 177.9870 63 T 3.8621 8.3469 116.1159 66.4641 68.3393 174.4778 64 P 4.2179 0.0000 0.0000 65.6763 31.3097 178.8221 65 S 4.0812 7.9439 113.4452 61.3560 62.8052 176.4473 66 K 3.8916 8.0561 122.2391 59.6700 31.8900 178.9900 67 I 3.7526 8.0933 120.3754 64.4263 37.0584 178.4443 68 Q 3.9623 8.4095 119.0417 58.9583 28.5578 178.7971 69 A 4.0097 8.3308 122.0984 54.7929 18.3175 179.6189 70 K 3.9310 8.0648 118.2580 59.6750 32.2183 179.1686 71 R 3.9153 8.1829 118.5023 59.3218 29.9634 178.9878 72 K 4.2036 8.1496 120.6231 59.0831 32.0855 178.2905 73 H 4.1745 8.3500 118.5792 59.3507 29.7533 177.4544 74 V 3.5515 8.0099 120.1246 66.0219 30.9891 177.6586 75 E 3.9812 8.4892 118.5923 59.6377 29.2841 179.1985 76 D 4.3573 8.4028 118.9934 57.3002 40.8230 178.9980 77 V 3.4372 7.9804 118.8717 65.8972 31.5403 178.2364 78 V 3.7633 8.1764 118.0266 66.1256 31.4410 177.8445 79 A 4.0421 8.3050 120.7306 55.0692 18.0640 179.3061 80 E 3.8382 8.3444 117.9576 59.5794 29.6968 178.4760 81 Y 3.9801 8.0381 117.0173 61.0579 37.8987 178.9200 82 V 3.7161 8.1226 119.0352 66.2594 31.5941 178.1161 83 Q 4.3167 8.1461 119.0271 58.5383 28.5641 178.8384 84 L 4.0517 8.4242 120.1514 57.7338 41.6281 179.4800 85 A 4.1914 8.6412 120.9798 55.1418 18.4492 179.5377 86 E 3.9805 8.4928 117.2169 59.7723 29.3370 179.5985 87 Q 4.1511 8.2358 117.2366 58.9237 28.8498 178.6123 88 R 4.0997 7.9363 118.6554 57.6885 30.0829 177.2310 89 G 4.0714 7.7351 106.4489 45.2466 0.0000 173.5002 90 V 3.7707 7.5926 120.0618 62.5160 31.8001 176.0831 91 N 4.4582 8.8696 125.2147 55.5732 38.8799 174.7424 92 Q 4.6788 7.9882 116.8307 53.9475 31.9053 174.9005 93 V 5.1754 8.3582 123.1486 59.8678 34.6064 174.6664 94 E 4.9286 9.0615 121.0729 53.9402 33.2314 172.8387 95 P 4.7793 0.0000 0.0000 63.0153 32.8508 176.3793 96 L 4.7739 8.9655 121.5604 53.0162 42.9931 173.3247 97 V 4.7179 7.9848 120.0827 61.7460 33.0527 173.9162 98 Y 4.9147 8.9266 125.5210 56.2509 41.9761 174.0243 99 E 5.1883 8.7277 116.3646 54.7539 32.5269 174.8902 100 G 4.3580 7.8325 112.4440 44.8885 0.0000 173.1007 101 G 3.7253 8.0605 108.5089 46.6036 0.0000 172.7159 102 D 4.9822 7.6460 119.0210 51.9475 42.1837 175.9201 103 V 3.3744 8.6952 127.2989 65.5610 31.5543 177.1024 104 D 4.2980 8.0620 118.2418 57.6182 40.6730 178.3430 105 D 4.2441 8.2670 118.2717 57.1637 41.1789 178.2942 106 V 3.5283 7.8851 118.9036 66.0693 31.4262 178.1539 107 I 3.4988 7.7337 119.4529 64.3979 36.7394 178.5420 108 L 3.9470 7.9408 118.7109 57.0615 41.5387 178.4506 109 E 4.4866 8.4546 116.6260 56.4486 30.8558 176.8171 110 Q 4.4749 7.8855 116.1606 57.4440 30.5131 178.0565 111 V 2.9999 7.0925 118.2209 65.8740 31.6421 177.9446 112 I 3.7259 7.7808 119.6910 64.1243 36.7786 176.8555 113 P 4.2621 0.0000 0.0000 65.1398 31.2097 178.3719 114 E 4.1924 7.9773 117.0586 59.2977 29.7369 178.4513 115 F 4.4210 8.5885 119.0630 58.0363 40.4044 175.1377 116 K 3.8458 8.2460 116.9719 56.7118 29.6022 173.5464 117 P 4.5602 0.0000 0.0000 62.8953 32.5852 175.9247 118 D 4.9449 8.8747 117.6964 53.2403 41.2596 175.3784 119 L 4.6881 7.6028 121.7007 53.2964 45.7578 174.1075 120 L 5.0874 8.7561 128.3895 53.3688 44.3248 174.8740 121 V 4.8994 8.8132 126.4653 61.5229 34.1203 174.1422 122 T 4.8843 8.7033 120.8114 60.4984 71.4409 173.1181 123 G 4.1081 8.7334 113.5787 45.9531 0.0000 174.5758 124 A 4.2159 8.8928 125.1648 54.2944 18.5080 178.5036 125 D 4.6421 7.8381 113.4782 54.6581 41.9163 177.0123 126 T 4.0194 7.5933 118.0594 63.7412 68.8318 173.0171 127 E 4.8675 8.5122 122.9876 55.1534 32.6991 175.3050 128 F 4.6526 8.3176 119.0108 54.6579 39.6489 173.9026 129 P 4.3386 0.0000 0.0000 65.0614 31.4838 177.6831 130 H 4.4195 8.2208 112.3375 57.2516 28.6098 175.5137 131 S 5.2031 7.7722 115.1681 56.4659 63.1881 174.5752 132 K 3.9270 8.6809 123.0534 58.8218 31.8804 177.6085 133 I 4.4100 7.0020 114.9064 59.2150 39.1264 175.2299 134 A 4.3108 8.3437 127.8541 52.1449 19.7817 176.4125 135 G 3.7573 8.7141 105.5092 43.9013 0.0000 173.2474 136 A 4.1806 8.2431 121.4254 52.5373 18.6611 178.3677 137 I 4.0335 8.7932 123.6923 63.5331 37.9833 178.2273 138 G 3.7683 8.1911 106.5590 47.7050 0.0000 173.7783 139 P 4.3431 0.0000 0.0000 64.8245 31.3179 179.0683 140 R 3.9538 7.9215 116.7884 59.2595 30.0143 178.8715 141 L 3.9957 8.2302 118.6980 57.6049 41.3396 179.3521 142 A 3.9919 8.2053 120.5833 54.9954 18.3087 179.4258 143 R 3.9794 7.6367 116.0953 59.2192 30.3437 178.1442 144 K 4.2706 7.9812 115.9188 56.6753 32.9968 177.2863 145 A 4.2060 7.5823 121.9592 51.4426 18.7936 175.4428 146 P 4.5907 0.0000 0.0000 62.9219 31.9025 175.0527 147 I 4.7277 7.1186 111.5636 58.7713 41.1036 175.0988 148 S 4.3680 8.2008 117.6993 58.7619 63.8392 174.0883 149 V 4.7148 8.1582 122.3411 61.1995 34.4272 173.9984 150 I 4.3571 8.8441 128.6927 59.2119 40.2468 174.1123 151 V 4.6235 8.3705 129.6190 61.5157 32.5072 174.7316 152 V 4.1993 8.6738 129.3616 61.5128 33.2910 176.2941 153 R 4.2300 8.3827 125.2674 56.4202 30.6329 175.3909 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 8.32 4.51 0.00 4.05 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 -1 N 8.31 4.42 0.00 3.05 3.02 0.00 0.00 6.12 6.96 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 A 9.20 4.04 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 0 E 9.38 4.07 0.00 1.85 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.25 0.00 3 N 8.46 4.22 0.00 2.74 2.85 0.00 0.00 7.26 6.62 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 4 Q 7.97 4.10 0.00 2.17 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.53 0.00 0.00 0.00 0.00 0.00 2.33 2.34 0.00 5 K 7.79 4.15 0.00 1.78 1.74 0.00 1.81 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.49 1.39 7.81 *7 Q 8.08 4.28 0.00 2.28 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.68 0.00 0.00 0.00 0.00 0.00 2.51 2.29 0.00 8 E 7.78 3.99 0.00 1.90 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 9 P 0.00 4.24 0.00 2.03 1.95 0.00 3.64 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 2.02 2.07 0.00 10 L 8.20 4.38 0.00 1.39 1.33 0.72 -0.07 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 11 V 7.80 3.87 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.56 0.00 0.00 12 Y 8.14 4.26 0.00 2.99 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 13 R 9.47 4.26 0.00 1.83 1.96 0.00 3.14 0.00 0.00 3.20 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.70 0.00 14 R 8.64 4.65 0.00 1.61 1.51 0.00 2.93 0.00 0.00 3.11 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.53 0.00 15 I 8.97 4.77 1.90 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 1.30 1.01 0.86 0.00 0.00 16 L 9.07 4.94 0.00 1.86 1.67 0.71 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 17 L 8.82 4.95 0.00 1.72 1.44 0.89 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 18 T 8.72 5.05 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 1.33 0.00 0.00 19 V 8.80 4.66 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 0.27 0.00 0.00 1.05 0.00 0.00 20 D 8.32 5.19 0.00 2.37 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 0.00 0.00 0.00 21 E 8.51 4.14 0.00 1.74 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 2.19 2.14 0.00 22 D 8.20 4.42 0.00 2.59 2.56 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 23 D 8.51 4.74 0.00 2.58 2.54 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 24 N 8.90 5.13 0.00 2.95 2.99 0.00 0.00 6.71 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 25 T 8.39 4.05 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 1.23 0.00 0.00 26 S 8.11 4.18 0.00 3.98 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 27 S 8.88 4.19 0.00 4.15 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 0.00 28 E 8.40 4.08 0.00 2.14 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 2.43 2.43 0.00 29 R 8.33 4.00 0.00 2.03 2.01 0.00 3.21 0.00 0.00 3.20 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.79 0.00 30 A 8.46 4.07 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.48 4.00 0.00 3.16 3.39 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 32 R 8.49 3.80 0.00 2.10 2.02 0.00 3.29 0.00 0.00 3.20 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.01 0.00 33 Y 8.49 4.06 0.00 3.06 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 34 A 8.10 3.70 1.22 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 0.00 0.00 35 T 7.67 3.75 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 0.49 0.00 0.00 36 T 7.92 3.74 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 1.22 0.00 0.00 37 L 7.75 3.96 0.00 1.23 1.53 0.87 1.33 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 38 A 7.97 4.03 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 39 H 8.51 4.05 0.00 3.18 3.45 0.00 5.59 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 40 D 8.39 4.31 0.00 2.39 2.17 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 41 Y 7.85 4.48 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 42 D 7.64 4.41 0.00 2.80 2.68 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 43 V 7.65 4.68 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 0.91 0.00 0.00 0.99 0.00 0.00 44 P 0.00 4.77 0.00 2.16 2.05 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.09 0.00 45 L 9.17 5.26 0.00 1.73 1.49 0.91 1.20 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 46 G 9.14 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 0.00 0.00 0.00 47 I 8.52 4.93 1.89 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.84 0.86 0.00 0.00 48 C 9.10 5.87 0.00 2.82 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 49 S 8.50 5.15 0.00 4.04 3.74 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 50 V 8.19 4.89 1.58 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 0.81 0.00 0.00 0.72 0.00 0.00 51 L 9.11 4.53 0.00 1.60 1.56 0.98 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 52 E 8.56 4.28 0.00 1.51 1.72 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 2.24 2.27 0.00 53 S 8.36 4.82 0.00 3.89 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 54 E 8.51 4.05 0.00 1.97 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 2.31 2.30 0.00 55 D 8.46 4.83 0.00 2.69 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 56 I 8.41 3.83 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.60 0.93 0.00 0.00 57 N 8.65 4.63 0.00 2.82 2.91 0.00 0.00 6.79 8.21 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 58 I 7.81 4.35 1.90 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.89 0.93 0.00 0.00 59 F 8.58 4.64 0.00 2.91 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 60 D 7.62 4.42 0.00 2.70 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 61 S 8.41 4.13 0.00 3.93 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 62 L 7.96 4.25 0.00 1.69 1.76 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 63 T 8.35 3.86 4.22 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 1.20 0.00 0.00 64 P 0.00 4.22 0.00 2.09 2.05 0.00 3.58 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 1.95 2.06 0.00 65 S 7.94 4.08 0.00 3.98 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 66 K 8.06 3.89 0.00 1.82 1.96 0.00 1.63 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.44 1.48 7.81 67 I 8.09 3.75 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 0.56 0.90 0.00 0.00 68 Q 8.41 3.96 0.00 2.14 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.44 0.00 69 A 8.33 4.01 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 70 K 8.06 3.93 0.00 2.01 2.00 0.00 1.57 0.00 0.00 1.69 0.00 0.00 3.06 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.55 7.81 71 R 8.18 3.92 0.00 2.04 1.98 0.00 3.34 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 72 K 8.15 4.20 0.00 1.88 1.95 0.00 1.58 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.36 7.81 73 H 8.35 4.17 0.00 3.33 3.46 0.00 5.66 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 74 V 8.01 3.55 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 1.15 0.00 0.00 1.01 0.00 0.00 75 E 8.49 3.98 0.00 2.21 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 2.48 0.00 76 D 8.40 4.36 0.00 2.91 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 77 V 7.98 3.44 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 1.09 0.00 0.00 0.89 0.00 0.00 78 V 8.18 3.76 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 1.05 0.00 0.00 1.07 0.00 0.00 79 A 8.30 4.04 1.40 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 0.00 0.00 80 E 8.34 3.84 0.00 2.02 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.23 0.00 81 Y 8.04 3.98 0.00 3.21 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 82 V 8.12 3.72 2.28 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 1.09 0.00 0.00 1.03 0.00 0.00 83 Q 8.15 4.32 0.00 2.26 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.57 0.00 0.00 0.00 0.00 0.00 2.62 2.41 0.00 84 L 8.42 4.05 0.00 1.84 1.88 0.58 0.76 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 85 A 8.64 4.19 1.54 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 0.00 0.00 86 E 8.49 3.98 0.00 2.24 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 0.00 2.37 2.58 0.00 87 Q 8.24 4.15 0.00 2.25 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.99 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 88 R 7.94 4.10 0.00 1.97 2.20 0.00 3.21 0.00 0.00 3.23 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.62 0.00 89 G 7.74 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 0.00 0.00 0.00 90 V 7.59 3.77 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 0.81 0.00 0.00 0.93 0.00 0.00 91 N 8.87 4.46 0.00 2.77 2.87 0.00 0.00 6.91 7.69 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 92 Q 7.99 4.68 0.00 1.96 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.87 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 93 V 8.36 5.18 2.13 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 0.81 0.00 0.00 1.03 0.00 0.00 94 E 9.06 4.93 0.00 2.06 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 2.39 2.20 0.00 95 P 0.00 4.78 0.00 2.11 2.11 0.00 3.73 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.01 0.00 96 L 8.97 4.77 0.00 1.52 1.78 0.23 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 97 V 7.98 4.72 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 0.82 0.00 0.00 0.97 0.00 0.00 98 Y 8.93 4.91 0.00 2.81 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 99 E 8.73 5.19 0.00 1.92 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 2.18 2.34 0.00 100 G 7.83 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 0.00 101 G 8.06 3.73 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 0.00 0.00 0.00 102 D 7.65 4.98 0.00 2.66 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 8.70 3.37 1.83 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 0.26 0.00 0.00 0.53 0.00 0.00 104 D 8.06 4.30 0.00 2.92 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 0.00 105 D 8.27 4.24 0.00 2.94 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 V 7.89 3.53 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 0.92 0.00 0.00 1.04 0.00 0.00 107 I 7.73 3.50 1.89 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.39 0.83 0.00 0.00 108 L 7.94 3.95 0.00 1.57 1.70 0.93 1.02 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 0.00 109 E 8.45 4.49 0.00 1.94 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.36 2.52 0.00 110 Q 7.89 4.47 0.00 2.11 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.09 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 111 V 7.09 3.00 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 0.89 0.00 0.00 -0.01 0.00 0.00 112 I 7.78 3.73 1.90 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.50 0.91 0.00 0.00 113 P 0.00 4.26 0.00 2.03 2.11 0.00 3.70 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.16 0.00 114 E 7.98 4.19 0.00 2.21 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 2.43 2.45 0.00 115 F 8.59 4.42 0.00 2.97 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 0.00 116 K 8.25 3.85 0.00 1.76 1.77 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.42 1.48 7.81 117 P 0.00 4.56 0.00 2.40 2.39 0.00 3.92 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 2.04 2.10 0.00 118 D 8.87 4.94 0.00 2.95 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 0.00 119 L 7.60 4.69 0.00 0.60 1.18 0.46 0.32 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 0.00 120 L 8.76 5.09 0.00 1.71 1.45 0.89 0.83 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 0.00 121 V 8.81 4.90 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 1.11 0.00 0.00 0.98 0.00 0.00 122 T 8.70 4.88 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 1.23 0.00 0.00 123 G 8.73 4.11 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 0.00 0.00 0.00 124 A 8.89 4.22 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 0.00 125 D 7.84 4.64 0.00 2.66 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 0.00 126 T 7.59 4.02 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 1.15 0.00 0.00 127 E 8.51 4.87 0.00 1.97 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 2.21 2.15 0.00 128 F 8.32 4.65 0.00 3.01 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 0.00 129 P 0.00 4.34 0.00 2.07 2.14 0.00 3.69 0.00 0.00 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.06 0.00 130 H 8.22 4.42 0.00 3.29 3.49 0.00 5.52 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 0.00 131 S 7.77 5.20 0.00 3.81 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 0.00 132 K 8.68 3.93 0.00 1.77 1.88 0.00 1.95 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.46 1.48 7.81 133 I 7.00 4.41 1.88 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 0.59 0.92 0.00 0.00 134 A 8.34 4.31 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 0.00 135 G 8.71 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 0.00 0.00 0.00 136 A 8.24 4.18 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 0.00 137 I 8.79 4.03 2.07 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 1.51 1.61 1.11 0.00 0.00 138 G 8.19 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 0.00 0.00 0.00 139 P 0.00 4.34 0.00 2.17 2.11 0.00 3.81 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 2.11 2.17 0.00 140 R 7.92 3.95 0.00 2.00 1.98 0.00 3.13 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.89 0.00 141 L 8.23 4.00 0.00 1.83 1.70 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 142 A 8.21 3.99 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 0.00 143 R 7.64 3.98 0.00 1.85 2.14 0.00 3.25 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.66 0.00 144 K 7.98 4.27 0.00 1.83 1.83 0.00 1.75 0.00 0.00 1.70 0.00 0.00 3.14 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.41 1.54 7.81 145 A 7.58 4.21 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 0.00 146 P 0.00 4.59 0.00 2.19 2.16 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 147 I 7.12 4.73 2.05 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.71 0.98 0.00 0.00 148 S 8.20 4.37 0.00 3.86 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 0.00 149 V 8.16 4.71 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 0.78 0.00 0.00 1.02 0.00 0.00 150 I 8.84 4.36 1.82 0.00 0.00 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.19 0.98 0.00 0.00 151 V 8.37 4.62 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 0.81 0.00 0.00 0.90 0.00 0.00 152 V 8.67 4.20 2.10 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 0.99 0.00 0.00 0.91 0.00 0.00 153 R 8.38 4.23 0.00 1.78 1.75 0.00 3.28 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.56 0.00 * Residues marked with a * may have inaccurate shift predictions.