NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.3573 8.3349 115.4111 58.2618 64.5197 172.8956 3 N 4.8117 8.0367 117.5832 52.1130 41.4848 172.7542 4 T 4.4118 8.8992 116.8960 63.3513 70.3275 174.8116 5 L 5.0819 7.8963 120.0511 53.0286 43.9443 176.3048 6 F 4.6307 7.7830 118.2792 57.6576 42.7125 172.2405 7 D 4.9630 6.9393 123.9933 53.7393 43.9503 173.7775 8 D 4.3556 8.6234 122.3911 53.7350 45.8271 174.4292 9 I 5.0163 7.9185 125.8641 60.3229 39.0488 174.9252 10 F 5.4903 9.3636 125.0531 55.6782 42.9808 173.7167 11 Q 5.4106 8.5921 119.6444 53.4324 31.6048 174.0553 12 V 3.7691 8.8463 127.2210 63.6426 31.7973 176.3545 13 S 4.2061 9.1855 124.7553 61.1446 63.9210 173.9972 14 E 4.7931 7.4199 118.2109 55.4849 32.8867 174.9052 15 V 4.6173 8.5061 123.0905 61.0780 34.0285 173.8710 16 D 5.0289 8.7210 127.6345 51.0670 43.5313 174.6336 17 P 5.2333 0.0000 0.0000 61.5898 31.7061 175.4024 18 G 4.0443 7.1366 107.8113 47.2260 0.0000 173.0213 19 R 3.9218 8.0994 120.6034 58.0209 27.0169 176.4216 20 Y 4.7595 7.7231 115.7709 56.1964 39.5184 176.5904 21 N 4.2249 8.8669 123.1097 55.4743 38.9984 176.2016 22 K 4.7723 7.9059 115.0628 55.6296 35.2311 175.8002 23 V 4.9797 7.8762 118.8841 61.7257 35.0096 173.8721 24 C 5.0025 9.5640 123.7813 58.0713 32.9058 172.9691 25 R 4.8118 8.7544 124.1805 55.4581 30.8798 175.2303 26 I 4.9831 9.1425 127.9347 59.7593 40.5737 174.6504 27 E 5.6796 8.7160 121.4827 54.0068 33.9726 174.6707 28 A 4.8930 8.1871 120.2098 51.2510 22.7895 175.7931 29 A 4.8533 8.4906 122.8322 51.0892 21.0064 176.6448 30 S 4.1475 8.4288 114.1924 58.2058 62.8386 174.5549 31 T 4.1755 8.0114 120.1098 65.1631 68.7386 175.7759 32 T 3.9187 7.0244 118.1356 65.1464 68.3125 175.7305 33 Q 4.3480 8.1176 123.3377 56.3739 30.3577 175.5557 34 D 5.0786 8.3782 117.4710 54.6964 41.5954 177.4967 35 Q 4.5274 8.0730 117.8688 56.0964 32.2504 175.5830 36 C 5.1590 8.0483 119.8626 58.1781 32.2443 172.8805 37 K 5.0170 8.6150 125.2099 54.7548 35.7385 174.9243 38 L 4.9065 8.4485 122.3723 53.9881 45.8161 174.7334 39 T 5.0212 8.6667 122.3248 61.6473 71.7978 172.8551 40 L 4.7532 8.9653 127.9292 53.8862 45.9198 174.4336 41 D 5.1470 8.4264 126.2888 54.5306 42.1333 175.7690 42 I 4.4679 8.3722 120.0106 60.4408 42.5966 173.9348 43 N 5.1412 10.0233 124.9749 52.9066 37.4666 175.4127 44 V 3.6501 8.2258 125.0266 65.3243 31.7809 176.7998 45 E 4.1408 8.4969 120.4106 59.1664 29.8591 177.5880 46 L 4.1706 7.9629 117.1269 56.9552 41.8003 176.9003 47 F 4.8644 8.2531 120.0340 55.1546 39.7618 172.0305 48 P 4.4217 0.0000 0.0000 62.4361 31.9863 176.4145 49 V 4.0344 7.7420 118.0340 61.9602 34.2476 172.5506 50 A 4.7123 8.2321 128.7073 49.4086 21.8310 175.5097 51 A 3.9632 8.2101 122.1512 53.9097 19.1539 176.7787 52 Q 3.5540 8.6600 120.3299 56.3641 25.7170 172.6083 53 D 5.0401 7.6088 118.6660 52.4255 46.0751 176.1970 54 S 5.1746 8.7891 116.6420 57.1153 63.1145 172.7684 55 L 5.0884 8.4576 125.7409 53.6601 45.0647 175.5238 56 T 5.0952 8.1401 119.1879 62.1602 70.5856 173.5353 57 V 4.8864 9.0826 127.4737 61.9634 33.2731 174.8547 58 T 5.6963 8.3571 122.0393 61.5857 73.5148 172.5634 59 I 5.3972 8.4898 120.0249 60.0505 40.9490 173.2190 60 A 3.9403 8.5279 120.4170 51.5232 17.6964 177.0571 61 S 4.3977 8.9757 113.4958 57.4640 64.1398 173.7242 62 S 4.4314 7.3632 118.5733 58.4037 66.8651 174.0812 63 L 3.8002 7.9108 118.5925 55.4000 41.6391 177.7694 *76 T 4.1112 7.3527 114.6832 63.5581 70.3011 174.0884 77 R 3.8181 8.2041 122.8883 54.9008 29.8336 176.3089 78 S 4.2818 8.4480 113.6097 58.4264 63.3753 173.4530 79 W 4.6391 8.4374 130.1008 55.2585 30.5747 175.4600 80 R 3.8244 8.0706 125.1107 55.5621 30.8337 177.7631 81 P 4.0623 0.0000 0.0000 61.1032 31.9827 173.5062 82 P 4.1332 0.0000 0.0000 64.3021 30.0122 179.5387 83 Q 4.0321 9.5907 119.7151 57.5155 28.6792 175.1446 84 A 4.1322 9.2616 116.7129 52.6029 17.8073 178.4576 85 G 3.7571 8.0223 110.1381 49.1360 0.0000 174.9302 86 D 4.9132 7.6118 118.8471 51.9964 40.2759 173.8680 87 R 4.5062 7.1020 117.1290 55.1914 34.4880 175.1541 88 S 4.3681 8.3434 113.4449 59.5977 63.8069 174.6964 89 L 4.6230 7.9074 117.5234 54.0540 42.9329 177.8871 90 A 4.5483 7.8782 116.8450 52.1576 17.9006 177.7889 91 D 5.1221 10.2229 116.9551 54.9021 40.1373 177.8389 92 D 4.8165 8.2941 118.9988 55.0645 39.9410 174.9564 93 Y 4.6536 7.6123 116.8807 57.5684 41.3819 175.5305 94 D 4.9628 9.1838 122.9772 54.5327 43.1506 175.1404 95 Y 4.2455 7.5326 116.5863 57.2898 42.1175 172.2936 96 V 5.0543 8.4400 126.5202 60.9382 33.0740 173.9744 97 M 4.6473 8.4413 126.3530 53.9052 34.5623 174.1320 98 Y 5.0272 8.1689 121.1595 56.4982 41.8331 175.3819 99 G 4.0437 8.3154 110.0303 46.5934 0.0000 172.3017 100 T 5.4800 9.2041 116.0943 60.6556 73.2036 172.9608 101 A 4.0983 8.2197 124.4836 51.2178 20.7210 174.2418 102 Y 4.4161 8.8678 118.4739 57.7410 38.9444 175.9383 103 K 4.3767 7.8729 118.6835 55.4207 34.8498 176.0659 104 F 4.7332 9.0110 124.8558 55.8719 39.9560 174.2407 105 E 4.6841 8.8428 124.6965 54.6175 32.2642 174.4474 106 E 4.6422 8.6514 123.0980 54.7996 31.9035 176.4356 107 V 4.0068 8.5363 127.0014 62.0126 31.1271 176.2853 108 S 3.2983 9.1425 121.0337 59.2345 64.4846 172.5769 109 K 3.7085 8.0518 117.2406 58.1731 31.0431 175.4210 110 D 4.9717 8.4734 121.2943 53.9588 40.1749 175.9267 111 L 4.7600 7.6248 120.2407 54.6676 43.1274 176.7920 112 I 4.8011 8.1210 123.8204 60.0575 41.0134 174.8350 113 A 4.9415 8.1308 122.7445 52.6756 22.1487 175.9966 114 V 3.9631 7.8936 115.9417 60.9547 34.0017 174.9595 115 Y 4.7214 8.4341 122.3619 56.5773 40.0178 174.1653 116 Y 4.7076 9.0366 123.0136 56.0996 40.6625 174.6627 117 S 5.3546 9.7935 120.4319 56.7005 65.5273 173.1346 118 F 4.6567 10.2215 127.7335 56.4156 38.3285 175.1139 119 G 4.1866 9.0333 112.6277 44.2055 0.0000 170.9439 120 G 3.5091 6.4203 115.5227 44.8057 0.0000 173.8744 121 L 4.7614 8.1916 122.9782 53.0223 43.3342 176.6053 122 L 4.9313 8.9391 124.6421 55.1515 43.4777 175.7506 123 M 4.8902 8.6637 117.3010 55.0812 36.4230 173.3528 124 R 4.7143 8.9520 124.4064 54.4217 33.9709 173.4881 125 L 4.9670 8.1777 126.8533 53.3107 45.8182 174.5482 126 E 4.9889 8.8298 122.4451 53.3581 33.9291 176.0653 127 G 4.3628 8.0826 115.3240 45.1003 0.0000 173.8003 128 N 5.3108 7.8794 134.9972 54.0616 40.2499 173.0919 129 Y 4.8694 7.3903 113.4647 56.8449 38.7110 176.0001 130 R 4.8030 7.5046 115.9506 56.3586 29.7906 176.7502 131 N 4.6840 8.2701 114.7819 56.3661 38.8379 176.5216 132 L 4.7364 7.7190 114.9108 55.1606 44.7891 175.1378 133 N 4.7437 8.3234 115.4562 54.8427 40.4656 174.3976 134 N 4.6874 8.0777 119.1725 53.0508 38.6861 174.6610 135 L 4.5210 8.4196 126.1917 54.4294 43.0145 176.8256 136 K 4.4772 8.3140 115.7947 56.5571 31.9569 176.9668 137 Q 4.3900 7.7602 118.8810 54.8251 30.2792 175.6935 138 E 4.0931 8.7218 119.0172 59.2208 29.9427 176.1785 139 N 4.6677 7.9527 113.9652 52.7249 39.7242 174.3648 140 A 5.3256 7.5114 133.2281 52.4813 22.1577 175.0135 141 Y 4.7341 8.2240 120.7021 56.3332 41.1471 175.0005 142 L 5.0275 9.1396 126.9022 54.0473 44.3134 175.1949 143 L 5.2883 7.8845 121.8061 52.4603 46.3331 175.3683 144 I 5.7425 8.3283 119.9012 61.2124 41.5588 173.7450 145 R 5.0531 8.5004 119.8706 55.7498 33.1430 175.3058 146 R 4.2707 8.6699 118.4472 57.0307 30.7496 176.3145 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 8.33 4.36 0.00 3.98 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 N 8.04 4.81 0.00 2.79 2.78 0.00 0.00 7.16 6.65 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 4 T 8.90 4.41 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 1.35 0.00 0.00 5 L 7.90 5.08 0.00 1.65 1.73 1.04 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 6 F 7.78 4.63 0.00 3.11 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 7 D 6.94 4.96 0.00 2.65 2.34 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 8 D 8.62 4.36 0.00 2.27 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 9 I 7.92 5.02 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 1.41 0.83 1.00 0.00 0.00 10 F 9.36 5.49 0.00 2.90 3.17 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 11 Q 8.59 5.41 0.00 2.09 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.15 6.90 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 12 V 8.85 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 1.06 0.00 0.00 0.98 0.00 0.00 13 S 9.19 4.21 0.00 3.91 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.42 4.79 0.00 2.01 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.15 0.00 15 V 8.51 4.62 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 0.87 0.00 0.00 0.93 0.00 0.00 16 D 8.72 5.03 0.00 2.81 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 17 P 0.00 5.23 0.00 2.23 2.17 0.00 3.74 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 1.94 1.91 0.00 18 G 7.14 4.04 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 0.00 19 R 8.10 3.92 0.00 2.11 2.26 0.00 3.37 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 20 Y 7.72 4.76 0.00 2.98 2.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 N 8.87 4.22 0.00 2.71 2.90 0.00 0.00 6.93 7.61 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 22 K 7.91 4.77 0.00 1.55 1.74 0.00 1.61 0.00 0.00 1.73 0.00 0.00 2.99 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.36 7.81 23 V 7.88 4.98 2.40 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 1.02 0.00 0.00 0.99 0.00 0.00 24 C 9.56 5.00 0.00 2.83 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 25 R 8.75 4.81 0.00 1.98 1.76 0.00 3.03 0.00 0.00 3.17 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 26 I 9.14 4.98 1.82 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 1.21 0.49 0.96 0.00 0.00 27 E 8.72 5.68 0.00 1.89 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 2.19 2.05 0.00 28 A 8.19 4.89 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 29 A 8.49 4.85 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 30 S 8.43 4.15 0.00 3.47 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 31 T 8.01 4.18 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 1.18 0.00 0.00 32 T 7.02 3.92 4.16 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 1.09 0.00 0.00 33 Q 8.12 4.35 0.00 2.13 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 7.54 0.00 0.00 0.00 0.00 0.00 2.65 2.46 0.00 34 D 8.38 5.08 0.00 2.64 2.65 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 0.00 0.00 0.00 0.00 35 Q 8.07 4.53 0.00 1.92 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.66 6.97 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 36 C 8.05 5.16 0.00 3.06 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 37 K 8.62 5.02 0.00 1.72 1.70 0.00 1.86 0.00 0.00 1.75 0.00 0.00 2.77 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.45 1.41 7.81 38 L 8.45 4.91 0.00 1.41 1.24 0.72 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 39 T 8.67 5.02 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 1.21 0.00 0.00 40 L 8.97 4.75 0.00 1.51 1.27 0.75 0.71 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 41 D 8.43 5.15 0.00 2.62 2.66 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 42 I 8.37 4.47 1.86 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 0.62 0.09 1.18 0.00 0.00 43 N 10.02 5.14 0.00 2.81 2.77 0.00 0.00 7.04 8.37 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 44 V 8.23 3.65 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 0.76 0.00 0.00 0.96 0.00 0.00 45 E 8.50 4.14 0.00 1.99 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 0.00 2.29 2.34 0.00 46 L 7.96 4.17 0.00 1.63 1.61 0.77 0.52 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 47 F 8.25 4.86 0.00 2.98 3.34 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 48 P 0.00 4.42 0.00 1.94 1.89 0.00 3.64 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.19 0.00 49 V 7.74 4.03 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.00 0.00 0.66 0.00 0.00 50 A 8.23 4.71 1.20 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 0.00 0.00 51 A 8.21 3.96 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 52 Q 8.66 3.55 0.00 2.23 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.61 0.00 0.00 0.00 0.00 0.00 2.27 2.46 0.00 53 D 7.61 5.04 0.00 2.55 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 S 8.79 5.17 0.00 3.90 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 55 L 8.46 5.09 0.00 1.73 1.67 1.04 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 56 T 8.14 5.10 4.39 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 1.31 0.00 0.00 57 V 9.08 4.89 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 0.80 0.00 0.00 0.57 0.00 0.00 58 T 8.36 5.70 4.09 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 0.00 0.00 1.33 0.00 0.00 59 I 8.49 5.40 1.91 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.74 0.82 0.00 0.00 60 A 8.53 3.94 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 61 S 8.98 4.40 0.00 3.91 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 62 S 7.36 4.43 0.00 3.81 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 63 L 7.91 3.80 0.00 1.66 1.67 0.92 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 *76 T 7.35 4.11 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 1.36 0.00 0.00 77 R 8.20 3.82 0.00 2.02 1.97 0.00 3.26 0.00 0.00 3.30 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.64 0.00 78 S 8.45 4.28 0.00 4.06 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 79 W 8.44 4.64 0.00 3.25 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 80 R 8.07 3.82 0.00 1.54 1.62 0.00 3.19 0.00 0.00 3.13 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 81 P 0.00 4.06 0.00 1.87 1.71 0.00 3.46 0.00 0.00 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.89 0.00 82 P 0.00 4.13 0.00 2.19 1.87 0.00 3.75 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 2.01 1.96 0.00 83 Q 9.59 4.03 0.00 2.20 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.17 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 84 A 9.26 4.13 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 85 G 8.02 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 86 D 7.61 4.91 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 R 7.10 4.51 0.00 1.86 1.83 0.00 3.19 0.00 0.00 3.26 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.59 0.00 88 S 8.34 4.37 0.00 3.99 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 89 L 7.91 4.62 0.00 1.73 2.01 0.95 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 90 A 7.88 4.55 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 91 D 10.22 5.12 0.00 2.89 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 92 D 8.29 4.82 0.00 2.72 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 Y 7.61 4.65 0.00 2.82 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 94 D 9.18 4.96 0.00 2.47 2.70 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 95 Y 7.53 4.25 0.00 2.23 2.25 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 96 V 8.44 5.05 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 1.12 0.00 0.00 0.97 0.00 0.00 97 M 8.44 4.65 0.00 1.97 1.58 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 2.60 0.00 98 Y 8.17 5.03 0.00 2.58 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 99 G 8.32 4.04 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 0.00 100 T 9.20 5.48 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 1.19 0.00 0.00 101 A 8.22 4.10 -0.42 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 0.00 102 Y 8.87 4.42 0.00 2.92 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 0.00 103 K 7.87 4.38 0.00 1.89 1.74 0.00 1.66 0.00 0.00 1.89 0.00 0.00 2.89 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.59 1.53 7.81 104 F 9.01 4.73 0.00 2.85 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 0.00 105 E 8.84 4.68 0.00 2.26 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 2.30 2.35 0.00 106 E 8.65 4.64 0.00 1.88 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 2.22 2.30 0.00 107 V 8.54 4.01 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 0.77 0.00 0.00 1.01 0.00 0.00 108 S 9.14 3.30 0.00 4.13 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 0.00 109 K 8.05 3.71 0.00 1.85 1.73 0.00 1.71 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.38 1.41 7.81 110 D 8.47 4.97 0.00 2.77 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 0.00 111 L 7.62 4.76 0.00 1.81 1.62 0.93 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 112 I 8.12 4.80 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 1.29 1.01 0.94 0.00 0.00 113 A 8.13 4.94 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 0.00 114 V 7.89 3.96 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 -0.45 0.00 0.00 0.83 0.00 0.00 115 Y 8.43 4.72 0.00 2.24 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 0.00 0.00 0.00 116 Y 9.04 4.71 0.00 2.87 2.59 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 0.00 0.00 0.00 117 S 9.79 5.35 0.00 4.10 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 0.00 118 F 10.22 4.66 0.00 3.12 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 0.00 119 G 9.03 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 0.00 120 G 6.42 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 0.00 121 L 8.19 4.76 0.00 1.80 1.74 0.98 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 122 L 8.94 4.93 0.00 1.92 1.83 1.02 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 123 M 8.66 4.89 0.00 2.61 2.06 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.40 0.00 124 R 8.95 4.71 0.00 1.57 1.53 0.00 2.93 0.00 0.00 2.97 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.69 0.00 125 L 8.18 4.97 0.00 1.48 1.14 0.75 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 126 E 8.83 4.99 0.00 1.96 1.64 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 2.15 2.30 0.00 127 G 8.08 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 0.00 128 N 7.88 5.31 0.00 2.75 2.87 0.00 0.00 6.72 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 0.00 129 Y 7.39 4.87 0.00 3.05 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 0.00 130 R 7.50 4.80 0.00 2.15 2.24 0.00 2.95 0.00 0.00 3.27 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.45 0.00 131 N 8.27 4.68 0.00 2.79 2.96 0.00 0.00 6.96 7.85 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 0.00 132 L 7.72 4.74 0.00 1.62 1.64 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 133 N 8.32 4.74 0.00 2.85 2.91 0.00 0.00 6.66 6.76 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 0.00 134 N 8.08 4.69 0.00 2.73 2.82 0.00 0.00 6.99 7.78 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 0.00 135 L 8.42 4.52 0.00 1.77 1.68 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 136 K 8.31 4.48 0.00 1.45 1.06 0.00 1.48 0.00 0.00 1.15 0.00 0.00 2.80 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.36 1.22 7.81 137 Q 7.76 4.39 0.00 2.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.09 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 138 E 8.72 4.09 0.00 2.04 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 2.56 2.45 0.00 139 N 7.95 4.67 0.00 2.72 2.85 0.00 0.00 6.75 7.35 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 0.00 140 A 7.51 5.33 1.66 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 0.00 141 Y 8.22 4.73 0.00 2.91 2.79 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 0.00 142 L 9.14 5.03 0.00 1.71 1.31 0.79 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 143 L 7.88 5.29 0.00 0.82 0.13 0.78 -0.04 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 0.00 144 I 8.33 5.74 1.58 0.00 0.00 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.90 0.51 0.88 0.00 0.00 145 R 8.50 5.05 0.00 1.78 1.86 0.00 2.87 0.00 0.00 2.80 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.62 0.00 146 R 8.67 4.27 0.00 2.09 2.01 0.00 3.21 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 0.00 * Residues marked with a * may have inaccurate shift predictions.