NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 13 E 4.3126 8.4444 121.4715 55.0605 31.8073 174.9890 14 V 4.2357 7.5076 116.9004 60.1003 35.2284 169.7450 15 V 3.8764 9.1564 128.4624 62.3352 33.3061 175.9086 16 K 4.3378 8.4602 126.3194 55.6021 34.1320 177.5565 17 F 4.1010 8.9337 124.2873 62.0777 39.2058 177.2457 18 M 3.8234 8.2250 116.8237 58.9322 31.8854 177.7980 19 D 4.3354 7.9743 118.3393 57.2783 41.0922 178.6854 20 V 3.5320 7.8020 118.8094 66.0011 31.2665 177.4668 21 Y 3.7649 7.7345 118.5343 60.7484 38.8558 177.8194 22 Q 4.1087 8.1935 118.8884 59.1545 28.6836 178.9721 23 R 4.0503 8.0777 117.9109 58.4637 30.3832 178.4364 24 S 4.4085 7.9891 113.4259 58.6667 63.6154 173.7154 25 Y 4.1560 7.2866 122.9267 57.8377 38.9833 174.1826 26 C 3.9564 7.3780 126.6352 54.8442 44.6080 172.5233 27 H 4.6711 8.8645 121.1992 54.2346 32.2123 171.1603 28 P 4.8580 0.0000 0.0000 62.5214 31.6324 176.1237 29 I 4.5917 8.7323 125.0307 58.5661 41.6471 174.0249 30 E 4.4660 8.8192 129.4105 56.8239 30.2360 175.9939 31 T 4.5972 8.9260 123.0480 61.7747 72.8770 173.1431 32 L 4.6790 8.5976 126.1852 53.7782 42.2975 175.8121 33 V 4.2463 8.5249 125.5930 60.6296 33.3853 174.8853 34 D 4.6842 8.7222 127.7657 54.8860 40.8663 176.9276 35 I 3.6899 8.7267 124.5426 63.8274 38.6543 177.1447 36 F 4.6443 7.3638 113.1001 57.6338 38.8648 178.0045 *43 I 4.1153 8.7427 125.5129 61.2448 39.2173 176.1233 44 E 3.9881 8.1429 120.9310 57.7860 29.9582 175.2970 45 Y 5.1182 7.5453 113.3233 56.0771 41.6270 175.1958 46 I 4.7165 8.7554 122.1134 59.6805 40.4644 174.8521 47 F 4.9068 9.1898 124.9043 56.4400 40.5921 175.1690 48 K 4.7541 9.2984 123.8432 53.8297 35.3002 174.3526 49 P 4.8372 0.0000 0.0000 63.0035 32.1433 175.9234 50 S 4.8644 8.5097 111.5769 58.8046 64.1222 173.1779 51 C 5.1066 7.7464 114.2045 57.0074 32.7765 173.4989 52 V 4.4654 8.4235 113.0262 58.7875 35.7337 173.1363 53 P 5.0255 0.0000 0.0000 62.0695 31.9032 175.1450 54 L 4.9232 8.6769 124.4918 52.6520 46.3439 176.0045 55 M 4.6141 9.3638 122.8314 55.4351 33.0790 175.6937 56 R 4.8044 8.8094 122.6990 53.9893 34.4191 174.4636 57 C 4.7761 9.3306 120.8294 57.5883 42.2245 173.1068 58 G 3.8059 9.0324 109.3633 46.0157 0.0000 171.9482 59 G 4.2100 9.0006 106.1595 44.1908 0.0000 171.4982 60 C 4.7395 8.1492 112.2848 56.4824 31.9392 171.4996 61 C 4.8589 7.9243 115.8085 54.6253 43.1521 174.9187 62 N 4.3567 8.6944 117.1474 55.6816 38.6749 175.0672 63 D 4.8298 7.5214 117.1202 51.5665 42.4627 176.0488 64 E 4.1463 8.7715 119.1689 58.3141 29.7303 178.1756 65 G 3.8586 8.3508 107.7599 46.0836 0.0000 173.0912 66 L 5.3932 7.5774 119.4716 52.7981 44.6662 175.6644 67 E 4.7101 9.0683 119.0647 54.7069 33.7062 173.4776 68 C 4.9671 8.6267 121.1293 55.8145 44.4820 173.0022 69 V 4.7783 8.7043 119.6411 58.5161 35.5965 173.3395 70 P 4.8527 0.0000 0.0000 63.2081 31.4998 176.0288 71 T 4.6258 8.9477 111.6079 61.5556 71.0987 173.9322 72 E 4.7834 7.9559 121.4702 54.8891 33.8263 174.1373 73 E 5.3709 8.7037 122.3768 55.1550 34.1536 174.3009 74 S 4.6215 8.7709 115.0587 58.1298 66.9420 172.6463 75 N 5.5764 8.6587 116.5769 51.5334 41.4993 174.3115 76 I 4.6770 8.7260 120.7450 59.7012 41.6815 173.9692 77 T 5.1105 8.5995 125.0297 62.5088 70.2244 173.9589 78 M 4.9836 9.0682 124.5090 53.5622 36.7125 174.5209 79 Q 4.7517 8.7693 121.2091 55.8686 30.0341 175.4998 80 I 4.7227 8.9448 124.4416 59.6812 41.3697 174.0988 81 M 4.8537 9.0523 126.7905 54.6499 33.9834 174.5079 82 R 4.4249 8.9994 126.8137 54.5185 32.4595 174.4305 83 I 4.7309 8.5075 127.6928 59.3918 40.3025 174.6524 84 K 4.6899 8.6787 128.9738 53.8963 32.9665 173.5289 85 P 4.1155 0.0000 0.0000 64.6758 31.6280 176.0537 86 H 4.2226 8.8821 117.1444 56.6540 26.5783 175.1886 87 Q 4.3425 8.2345 117.9508 56.8093 31.5698 175.1468 88 G 4.1901 7.5689 102.6211 46.3006 0.0000 172.5242 89 Q 5.0532 8.3908 115.4102 55.7403 30.9776 173.3989 90 H 4.9685 9.1380 121.3408 53.7001 32.6911 172.9533 91 I 4.5229 8.4121 122.7615 61.0521 38.0361 175.3969 92 G 4.3221 9.0337 112.3405 44.8553 0.0000 170.8164 93 E 5.2820 8.7035 119.3926 54.9774 31.4550 175.6633 94 M 4.7137 8.9588 122.1540 53.5052 36.5584 174.0532 95 S 4.9298 8.1621 116.1751 56.6530 64.2029 173.1191 96 F 4.9545 9.0062 125.3052 55.3212 42.7203 174.1042 97 L 4.7153 8.5812 122.9690 54.9734 43.0052 175.8627 98 Q 4.7253 9.1738 124.5795 54.4341 32.4569 174.3815 99 H 5.0363 8.7225 120.4167 54.8994 28.8730 174.8533 100 N 4.6914 8.9806 122.3706 55.2612 39.4951 176.1544 101 K 4.7846 7.8073 116.1147 55.1325 36.8326 176.0844 102 C 5.5203 8.7313 119.1840 55.4841 43.7291 172.9823 103 E 4.9338 9.1115 119.7422 54.9130 34.1097 173.8031 104 C 5.1339 8.7455 118.7652 56.2423 40.9118 173.5553 105 R 4.8704 8.8484 121.7724 53.3760 34.5510 172.9388 106 P 4.7445 0.0000 0.0000 63.2450 31.8116 176.6183 107 K 4.4099 9.0791 123.6019 55.9133 33.2353 177.2798 108 K 3.9311 8.2477 121.4875 57.5902 32.4321 174.2175 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 13 E 8.44 4.31 0.00 1.93 1.86 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 2.20 2.38 0.00 14 V 7.51 4.24 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 0.85 0.00 0.00 0.95 0.00 0.00 15 V 9.16 3.88 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 0.86 0.00 0.00 0.94 0.00 0.00 16 K 8.46 4.34 0.00 1.84 1.76 0.00 1.80 0.00 0.00 1.78 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.55 1.46 7.81 17 F 8.93 4.10 0.00 3.15 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 18 M 8.23 3.82 0.00 2.13 2.08 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.75 0.00 19 D 7.97 4.34 0.00 2.88 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 20 V 7.80 3.53 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 0.99 0.00 0.00 1.00 0.00 0.00 21 Y 7.73 3.76 0.00 2.14 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 22 Q 8.19 4.11 0.00 2.22 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.58 0.00 0.00 0.00 0.00 0.00 2.45 2.64 0.00 23 R 8.08 4.05 0.00 1.83 1.98 0.00 3.14 0.00 0.00 3.36 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 24 S 7.99 4.41 0.00 4.02 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 0.00 25 Y 7.29 4.16 0.00 2.90 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 26 C 7.38 3.96 0.00 2.62 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 0.00 0.00 0.00 0.00 27 H 8.86 4.67 0.00 3.22 3.40 0.00 5.32 0.00 0.00 0.00 0.00 6.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 P 0.00 4.86 0.00 1.97 2.23 0.00 3.69 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 29 I 8.73 4.59 1.66 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 1.70 0.88 0.00 0.00 30 E 8.82 4.47 0.00 2.00 1.82 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 2.25 2.30 0.00 31 T 8.93 4.60 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 1.16 0.00 0.00 32 L 8.60 4.68 0.00 1.47 1.58 0.89 0.82 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 33 V 8.52 4.25 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 0.96 0.00 0.00 0.89 0.00 0.00 34 D 8.72 4.68 0.00 2.57 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 35 I 8.73 3.69 1.33 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 1.16 0.36 -0.13 0.00 0.00 36 F 7.36 4.64 0.00 3.04 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *43 I 8.74 4.12 1.83 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 1.28 0.50 0.90 0.00 0.00 44 E 8.14 3.99 0.00 1.70 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 1.47 1.84 0.00 45 Y 7.55 5.12 0.00 2.82 2.41 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 46 I 8.76 4.72 1.87 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 1.28 0.85 0.97 0.00 0.00 47 F 9.19 4.91 0.00 3.15 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 48 K 9.30 4.75 0.00 1.75 1.62 0.00 1.65 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.34 1.38 7.81 49 P 0.00 4.84 0.00 2.35 2.06 0.00 3.85 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 2.03 1.94 0.00 50 S 8.51 4.86 0.00 4.00 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 0.00 51 C 7.75 5.11 0.00 2.87 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.42 4.47 1.57 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 0.31 0.00 0.00 0.02 0.00 0.00 53 P 0.00 5.03 0.00 2.15 2.01 0.00 3.55 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.93 0.00 54 L 8.68 4.92 0.00 1.45 1.56 0.81 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 55 M 9.36 4.61 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.65 0.00 56 R 8.81 4.80 0.00 1.60 1.69 0.00 3.09 0.00 0.00 2.75 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.62 0.00 57 C 9.33 4.78 0.00 2.87 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 58 G 9.03 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 0.00 0.00 0.00 59 G 9.00 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 0.00 0.00 0.00 0.00 60 C 8.15 4.74 0.00 2.96 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 61 C 7.92 4.86 0.00 2.86 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 62 N 8.69 4.36 0.00 2.82 3.00 0.00 0.00 6.62 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 63 D 7.52 4.83 0.00 3.05 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 64 E 8.77 4.15 0.00 1.98 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 2.32 2.26 0.00 65 G 8.35 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 0.00 0.00 0.00 66 L 7.58 5.39 0.00 1.64 1.53 1.02 0.65 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 67 E 9.07 4.71 0.00 1.92 1.95 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 2.30 2.19 0.00 68 C 8.63 4.97 0.00 2.85 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 69 V 8.70 4.78 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 0.70 0.00 0.00 0.92 0.00 0.00 70 P 0.00 4.85 0.00 1.98 1.52 0.00 3.63 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.68 0.00 71 T 8.95 4.63 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 1.24 0.00 0.00 72 E 7.96 4.78 0.00 1.88 1.82 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 2.29 2.33 0.00 73 E 8.70 5.37 0.00 1.80 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 2.23 2.26 0.00 74 S 8.77 4.62 0.00 3.88 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 75 N 8.66 5.58 0.00 2.59 2.73 0.00 0.00 6.55 7.45 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 76 I 8.73 4.68 1.91 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 1.74 1.08 0.00 0.00 77 T 8.60 5.11 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 78 M 9.07 4.98 0.00 1.99 2.21 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.56 0.00 79 Q 8.77 4.75 0.00 1.97 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.67 6.69 0.00 0.00 0.00 0.00 0.00 2.39 2.42 0.00 80 I 8.94 4.72 2.06 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.60 1.23 0.00 0.00 81 M 9.05 4.85 0.00 2.21 1.93 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.45 0.00 82 R 9.00 4.42 0.00 1.50 1.43 0.00 2.21 0.00 0.00 2.70 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 83 I 8.51 4.73 1.93 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 1.09 0.47 0.92 0.00 0.00 84 K 8.68 4.69 0.00 2.03 1.75 0.00 1.67 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.35 7.81 85 P 0.00 4.12 0.00 1.96 1.81 0.00 3.82 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 1.99 2.09 0.00 86 H 8.88 4.22 0.00 3.30 3.36 0.00 5.64 0.00 0.00 0.00 0.00 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Q 8.23 4.34 0.00 2.10 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.83 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 88 G 7.57 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 89 Q 8.39 5.05 0.00 2.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.66 0.00 0.00 0.00 0.00 0.00 2.18 2.33 0.00 90 H 9.14 4.97 0.00 2.96 3.16 0.00 5.61 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 I 8.41 4.52 1.88 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.76 0.93 0.00 0.00 92 G 9.03 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.70 5.28 0.00 1.85 1.86 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 2.25 2.33 0.00 94 M 8.96 4.71 0.00 1.27 1.80 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.36 0.00 95 S 8.16 4.93 0.00 3.74 3.57 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 96 F 9.01 4.95 0.00 2.95 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 97 L 8.58 4.72 0.00 1.66 1.59 1.06 0.71 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 98 Q 9.17 4.73 0.00 2.07 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.58 0.00 0.00 0.00 0.00 0.00 2.29 2.46 0.00 99 H 8.72 5.04 0.00 3.10 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 8.98 4.69 0.00 2.63 2.88 0.00 0.00 6.83 7.14 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 0.00 101 K 7.81 4.78 0.00 1.66 1.64 0.00 1.78 0.00 0.00 1.83 0.00 0.00 2.96 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.48 7.81 102 C 8.73 5.52 0.00 2.80 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 0.00 103 E 9.11 4.93 0.00 1.84 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 0.00 2.24 2.27 0.00 104 C 8.75 5.13 0.00 2.90 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 R 8.85 4.87 0.00 1.69 1.74 0.00 3.13 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 106 P 0.00 4.74 0.00 1.93 2.00 0.00 3.68 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.14 0.00 107 K 9.08 4.41 0.00 1.59 1.74 0.00 1.89 0.00 0.00 1.62 0.00 0.00 2.86 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.62 1.48 7.81 108 K 8.25 3.93 0.00 1.70 1.64 0.00 1.82 0.00 0.00 1.74 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.17 1.15 7.81 * Residues marked with a * may have inaccurate shift predictions.