NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- *1061 F 4.5854 8.4245 119.0077 55.8234 40.0401 174.7657 *1062 R 4.1886 7.1813 114.3535 52.2150 32.9812 176.7684 *1063 S 3.9191 8.3690 120.4106 57.6810 63.2676 174.5763 *1064 C 4.5252 9.1607 120.0664 56.0742 40.4261 175.6719 *1065 E 4.4967 8.4798 122.9279 54.0790 31.7788 173.3683 *1066 V 3.4821 8.3927 115.6376 62.5075 30.9947 170.6798 *1067 P 4.5046 0.0000 0.0000 61.4964 31.2270 173.4084 *1068 T 4.1109 8.3405 110.6085 62.9270 68.8173 172.9891 *1069 R 4.6033 8.4906 122.6036 55.2471 32.7335 176.7296 *1070 L 4.8168 7.9038 124.9005 51.4936 43.9214 174.3200 *1071 N 4.4450 8.7205 115.9628 57.7340 37.5364 176.5066 *1072 S 4.7733 7.9173 110.7518 60.0241 65.7741 178.0497 1073 A 4.9276 8.1177 125.2303 52.4930 21.2826 177.8042 *1074 S 4.8135 9.3052 120.4621 57.5909 67.3173 174.0997 *1075 L 4.1927 8.7924 128.1091 56.2055 40.7136 176.6879 *1076 K 4.2722 8.7063 130.3970 57.7078 32.0866 176.1698 *1077 Q 4.2788 8.0259 122.0892 54.2470 28.9208 178.7571 *1078 P 4.8415 0.0000 0.0000 62.4251 30.0488 178.6194 *1079 Y 4.1209 8.1265 124.0977 61.0229 36.5752 180.2425 *1080 I 3.6850 7.1768 119.6595 58.4450 35.8918 180.4344 *1081 T 3.7367 8.3489 119.9901 60.8441 68.4007 174.9837 *1082 Q 3.3858 7.9168 119.5225 57.2517 24.7208 176.3571 *1083 N 4.8268 7.6007 115.3767 53.6067 41.6937 176.7821 *1084 Y 4.6104 7.5053 131.0315 56.0944 40.4780 177.0133 *1085 F 4.4299 8.4554 129.5798 55.6848 39.2118 171.6776 *1086 P 4.6340 0.0000 0.0000 61.8611 31.4924 173.7898 *1087 V 3.4568 8.5255 121.4507 61.6713 32.1937 173.6616 1088 G 3.7114 7.8685 119.2503 45.3627 0.0000 174.7211 *1089 T 4.6204 7.7544 115.2163 60.5756 73.3015 176.7160 *1090 V 4.5163 8.6784 129.0554 59.9929 32.9198 172.9572 *1091 V 4.6168 8.5039 126.7703 59.2583 35.8306 171.4282 *1092 E 5.0691 8.7458 118.8291 56.5240 33.6229 175.5241 *1093 Y 4.8874 8.5507 122.5327 56.5828 40.3081 176.4542 *1094 E 4.7745 9.2199 122.8614 55.1086 33.2365 174.9388 *1095 C 4.8624 8.9548 125.7462 54.9086 35.8349 171.4391 *1096 R 4.3670 8.5262 123.7850 55.9961 30.7541 175.2746 *1097 P 4.2295 0.0000 0.0000 64.8261 31.2203 177.1426 1098 G 4.2825 9.1314 113.8242 46.3465 0.0000 172.9926 *1099 Y 5.0377 7.8518 119.5265 56.0125 41.5423 177.9874 *1100 R 4.7782 8.5802 123.0460 55.4058 33.3979 176.8592 *1101 R 4.3866 8.6790 125.0347 56.5335 31.0220 175.2648 *1102 E 4.0264 8.7845 117.2055 57.4890 30.6201 175.9567 *1103 P 4.2738 0.0000 0.0000 65.1680 30.6579 172.9043 *1104 S 3.8016 8.6786 117.7913 59.9935 59.0475 172.8603 *1105 L 4.8720 7.3160 125.4483 52.7076 44.7725 176.6618 *1106 S 4.0944 8.7954 115.7437 60.5900 61.9567 170.1602 *1107 P 4.6679 0.0000 0.0000 61.3108 29.6881 176.1863 *1108 K 4.4561 7.6844 126.1701 54.4240 33.6766 179.3456 *1109 L 4.4638 8.6786 132.1771 53.9311 40.6471 174.3231 *1110 T 4.3336 8.2059 122.0628 61.4049 70.4712 174.0451 *1111 C 4.5875 9.4220 127.5415 56.4348 40.6519 173.3560 *1112 L 4.0954 9.0217 131.8921 55.2618 38.7998 175.2278 *1113 Q 4.5465 9.5847 115.4223 56.8913 31.8096 178.7055 *1114 N 4.9002 7.8046 116.0867 57.4566 38.5789 178.2742 *1115 L 3.6511 6.9840 117.2640 57.0543 38.5522 179.5910 *1116 K 4.5355 7.7053 128.2385 52.3038 32.0472 178.0739 *1117 W 4.4516 8.2664 128.7816 56.3962 29.2187 179.1263 *1118 S 4.9035 9.2409 126.8047 59.3116 63.3784 178.1396 *1119 T 4.2175 8.6743 113.6042 63.1305 69.0517 173.0814 1120 A 4.2220 8.5246 129.6283 52.3485 19.5552 176.3397 *1121 V 3.9665 7.5115 121.3932 61.5751 34.1063 174.3659 *1122 E 5.1598 7.5015 110.6737 56.8254 32.3997 179.4054 *1123 F 4.4288 8.1960 118.9452 57.4565 38.5059 177.6483 *1124 C 5.1990 8.0427 119.6496 55.1076 44.8395 177.2817 *1125 K 4.6561 8.6338 122.1662 55.6439 36.2046 176.8584 *1126 K 4.4140 8.0843 118.9488 55.7903 36.1971 178.8289 *1127 K 4.5013 8.8534 130.2349 53.8593 33.6265 176.0723 *1128 S 4.8527 8.5727 126.8873 57.3559 64.0293 173.1437 *1129 C 4.2534 8.8126 118.7235 56.6163 40.5079 174.7515 *1130 P 4.4671 0.0000 0.0000 60.4950 29.4536 169.1588 *1131 N 4.2803 8.0492 129.2036 51.8137 38.2429 175.8368 *1132 P 4.3762 0.0000 0.0000 61.3941 30.9552 175.0811 1133 G 3.8942 7.9304 110.3886 46.4866 0.0000 173.1128 *1134 E 4.7708 8.5666 117.1773 54.4180 33.5978 173.9007 *1135 I 4.3755 8.1931 127.1024 58.4266 34.9233 175.4146 *1136 R 4.2828 8.8994 118.1314 58.8771 33.5041 173.2894 *1137 N 4.2850 9.1682 120.7670 50.8510 35.1950 168.1842 1138 G 4.3712 7.6435 115.8370 45.2640 0.0000 171.4078 *1139 Q 4.6674 7.9765 129.1466 56.4895 33.2798 170.6523 *1140 I 4.8123 8.4222 118.3972 60.8196 38.7393 173.2252 *1141 D 4.9137 8.6850 128.8713 52.3795 42.3958 175.4423 *1142 V 4.2571 8.3544 126.1453 58.2765 34.0605 171.8398 *1143 P 4.5895 0.0000 0.0000 62.1323 30.4598 173.7425 1144 G 4.2913 7.9427 107.6394 46.3075 0.0000 173.4701 1145 G 3.6176 7.3709 104.6381 44.3379 0.0000 174.5780 *1146 I 4.3529 7.9572 125.3820 58.3184 35.8886 173.2755 *1147 L 4.5693 7.7535 128.9281 52.6637 43.3238 177.4041 *1148 F 4.1381 8.4237 113.6231 59.7725 38.2068 171.0212 1149 G 4.0530 8.6666 110.5733 46.0194 0.0000 172.8609 1150 A 5.0286 7.4472 126.0347 53.3604 22.6248 177.0096 *1151 T 4.3344 7.8310 110.0717 62.6142 72.0948 168.3508 *1152 I 4.8494 8.0287 122.1517 60.4944 40.8252 175.2736 *1153 S 4.7491 8.4380 117.9560 59.0020 65.8420 171.6445 *1154 F 4.5337 8.9156 128.0459 56.8012 39.0518 172.7522 *1155 S 4.6457 9.1547 123.8037 56.9683 65.8916 171.7788 *1156 C 4.8940 8.9922 126.5203 54.7874 39.8027 170.0437 *1157 N 4.7024 8.9629 118.7771 54.4896 39.6925 173.4850 *1158 T 4.2390 8.3349 109.8941 64.3305 67.6084 171.3193 1159 G 3.9399 9.5629 117.0386 44.7876 0.0000 172.9967 *1160 Y 4.8454 7.0707 121.3230 56.2791 39.6059 181.4547 *1161 K 4.6609 8.4895 125.3600 54.0401 35.5755 177.1361 *1162 L 4.3067 8.8659 129.6071 54.8707 41.4486 175.4506 *1163 F 4.6700 8.2153 127.3740 53.4049 37.3477 170.9515 1164 G 3.8768 7.8271 119.5679 45.5474 0.0000 172.2858 *1165 S 4.5819 7.5642 115.9731 58.3763 65.5314 178.2042 *1166 T 4.6759 8.7381 112.6938 60.9212 69.2366 175.7844 *1167 S 5.1326 7.6565 124.1994 60.7874 65.5722 179.5999 *1168 S 4.7474 7.9131 117.4436 59.1659 67.2903 174.8514 *1169 F 5.0416 8.6248 122.4822 56.6597 41.4972 176.7994 *1170 C 4.8366 9.3228 125.5981 55.1150 38.9187 171.1989 *1171 L 5.0714 8.7119 129.1489 52.9261 43.6510 174.6316 *1172 I 4.2569 8.5301 121.4574 60.4641 38.6234 175.4471 *1173 S 4.5874 7.9525 116.2474 57.3122 61.2029 177.8429 1174 G 4.4710 7.5201 115.6591 47.3711 0.0000 175.7672 *1175 S 4.5470 7.4469 119.0151 57.5836 63.7897 178.0052 *1176 S 3.8631 7.8656 120.8871 57.9067 61.6056 172.9148 *1177 V 3.8295 8.2980 118.3623 64.9868 31.3396 172.8674 *1178 Q 4.7166 8.8367 127.6505 54.0838 32.9270 171.3427 *1179 W 4.5967 8.4976 123.3054 56.5761 31.3215 177.3247 *1180 S 4.2841 8.8234 120.3205 61.6257 61.6198 176.3562 *1181 D 4.8018 7.8800 130.8938 50.9323 41.2424 178.4252 *1182 P 4.6047 0.0000 0.0000 60.9608 31.2108 173.9381 *1183 L 3.9589 8.8130 118.5103 56.7563 41.5100 173.8831 *1184 P 4.7619 0.0000 0.0000 61.4340 30.9439 172.0437 *1185 E 4.9024 8.4892 115.1854 57.5069 34.8335 172.1089 *1186 C 4.9759 8.9796 119.9824 55.3549 42.5971 174.5922 *1187 R 4.6148 9.0715 129.3701 54.6741 31.1355 174.1011 *1188 E 4.4549 8.9927 126.3810 56.4801 30.4299 174.0805 *1189 H 4.4850 8.1280 118.9105 53.6716 28.9470 170.0833 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 *1061 F 8.42 4.59 0.00 2.32 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 0.00 0.00 0.00 0.00 *1062 R 7.18 4.19 0.00 1.85 1.62 0.00 3.37 0.00 0.00 3.25 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.26 0.00 *1063 S 8.37 3.92 0.00 3.79 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 *1064 C 9.16 4.53 0.00 2.71 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 *1065 E 8.48 4.50 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 2.16 1.86 0.00 *1066 V 8.39 3.48 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 0.86 0.00 0.00 0.93 0.00 0.00 *1067 P 0.00 4.50 0.00 2.08 1.90 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 *1068 T 8.34 4.11 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 1.21 0.00 0.00 *1069 R 8.49 4.60 0.00 1.77 1.69 0.00 3.19 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.14 0.00 *1070 L 7.90 4.82 0.00 1.36 1.55 0.92 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 *1071 N 8.72 4.44 0.00 2.73 2.79 0.00 0.00 6.32 7.64 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 *1072 S 7.92 4.77 0.00 3.37 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 1073 A 8.12 4.93 1.25 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 0.00 0.00 *1074 S 9.31 4.81 0.00 3.33 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1075 L 8.79 4.19 0.00 1.42 1.51 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 *1076 K 8.71 4.27 0.00 1.50 1.73 0.00 1.77 0.00 0.00 1.74 0.00 0.00 2.89 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.36 1.26 7.81 *1077 Q 8.03 4.28 0.00 1.97 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.68 7.23 0.00 0.00 0.00 0.00 0.00 2.36 1.92 0.00 *1078 P 0.00 4.84 0.00 2.08 1.96 0.00 3.72 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 *1079 Y 8.13 4.12 0.00 2.31 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1080 I 7.18 3.69 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00 *1081 T 8.35 3.74 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 1.21 0.00 0.00 *1082 Q 7.92 3.39 0.00 2.16 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.84 0.00 0.00 0.00 0.00 0.00 2.20 1.90 0.00 *1083 N 7.60 4.83 0.00 2.69 2.57 0.00 0.00 6.58 7.55 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 *1084 Y 7.51 4.61 0.00 2.03 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 0.00 0.00 0.00 0.00 *1085 F 8.46 4.43 0.00 1.93 2.22 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 *1086 P 0.00 4.63 0.00 1.85 1.87 0.00 3.74 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.60 0.00 *1087 V 8.53 3.46 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 0.88 0.00 0.00 0.93 0.00 0.00 1088 G 7.87 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1089 T 7.75 4.62 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 1.21 0.00 0.00 *1090 V 8.68 4.52 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 0.86 0.00 0.00 0.93 0.00 0.00 *1091 V 8.50 4.62 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 0.66 0.00 0.00 0.93 0.00 0.00 *1092 E 8.75 5.07 0.00 1.61 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 2.20 1.84 0.00 *1093 Y 8.55 4.89 0.00 2.06 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 0.00 0.00 0.00 0.00 *1094 E 9.22 4.77 0.00 1.55 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 2.12 2.09 0.00 *1095 C 8.95 4.86 0.00 2.49 2.89 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 *1096 R 8.53 4.37 0.00 1.49 1.84 0.00 3.27 0.00 0.00 3.20 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.46 0.00 *1097 P 0.00 4.23 0.00 2.08 1.91 0.00 3.81 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 1.95 1.62 0.00 1098 G 9.13 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 0.00 0.00 0.00 0.00 *1099 Y 7.85 5.04 0.00 2.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1100 R 8.58 4.78 0.00 1.45 1.77 0.00 3.22 0.00 0.00 3.37 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.16 0.00 *1101 R 8.68 4.39 0.00 1.59 1.78 0.00 3.27 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.21 0.00 *1102 E 8.78 4.03 0.00 1.65 1.94 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 2.33 1.92 0.00 *1103 P 0.00 4.27 0.00 2.08 1.97 0.00 3.80 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.60 0.00 *1104 S 8.68 3.80 0.00 3.76 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 *1105 L 7.32 4.87 0.00 1.60 1.46 0.92 0.86 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 *1106 S 8.80 4.09 0.00 3.62 3.80 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 *1107 P 0.00 4.67 0.00 2.08 1.90 0.00 3.66 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 1.57 0.00 *1108 K 7.68 4.46 0.00 1.50 1.63 0.00 1.76 0.00 0.00 1.74 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.24 0.97 7.81 *1109 L 8.68 4.46 0.00 1.36 1.61 0.92 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 *1110 T 8.21 4.33 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 1.21 0.00 0.00 *1111 C 9.42 4.59 0.00 2.46 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 *1112 L 9.02 4.10 0.00 1.66 1.16 0.92 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 *1113 Q 9.58 4.55 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.99 7.46 0.00 0.00 0.00 0.00 0.00 2.15 1.87 0.00 *1114 N 7.80 4.90 0.00 2.69 2.64 0.00 0.00 6.71 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1115 L 6.98 3.65 0.00 1.74 1.95 0.92 0.73 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 *1116 K 7.71 4.54 0.00 1.73 1.61 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.95 7.81 *1117 W 8.27 4.45 0.00 2.27 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 0.00 0.00 0.00 *1118 S 9.24 4.90 0.00 3.35 3.13 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 0.00 *1119 T 8.67 4.22 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 1.21 0.00 0.00 1120 A 8.52 4.22 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 *1121 V 7.51 3.97 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 0.93 0.00 0.00 *1122 E 7.50 5.16 0.00 1.83 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 2.08 1.72 0.00 *1123 F 8.20 4.43 0.00 2.29 2.18 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 *1124 C 8.04 5.20 0.00 2.69 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 *1125 K 8.63 4.66 0.00 1.73 1.41 0.00 1.85 0.00 0.00 1.74 0.00 0.00 2.77 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.29 1.25 7.81 *1126 K 8.08 4.41 0.00 1.50 1.56 0.00 1.72 0.00 0.00 1.74 0.00 0.00 2.68 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.10 0.82 7.81 *1127 K 8.85 4.50 0.00 1.34 1.72 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.98 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.25 1.22 7.81 *1128 S 8.57 4.85 0.00 3.39 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1129 C 8.81 4.25 0.00 2.72 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 *1130 P 0.00 4.47 0.00 2.08 1.90 0.00 3.84 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.57 0.00 *1131 N 8.05 4.28 0.00 2.81 2.82 0.00 0.00 6.87 7.76 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 *1132 P 0.00 4.38 0.00 2.08 1.96 0.00 3.80 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 1.94 1.59 0.00 1133 G 7.93 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 0.00 0.00 0.00 *1134 E 8.57 4.77 0.00 1.95 1.69 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 2.10 1.82 0.00 *1135 I 8.19 4.38 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.10 0.91 0.00 0.00 *1136 R 8.90 4.28 0.00 1.76 1.67 0.00 3.39 0.00 0.00 3.26 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.13 0.00 *1137 N 9.17 4.28 0.00 2.80 2.83 0.00 0.00 6.80 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 1138 G 7.64 4.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1139 Q 7.98 4.67 0.00 1.75 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.69 0.00 0.00 0.00 0.00 0.00 2.04 1.95 0.00 *1140 I 8.42 4.81 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.25 0.91 0.00 0.00 *1141 D 8.69 4.91 0.00 2.29 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 *1142 V 8.35 4.26 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 0.69 0.00 0.00 0.93 0.00 0.00 *1143 P 0.00 4.59 0.00 2.08 1.95 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 1.94 1.59 0.00 1144 G 7.94 4.29 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 0.00 1145 G 7.37 3.62 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1146 I 7.96 4.35 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.88 0.91 0.00 0.00 *1147 L 7.75 4.57 0.00 1.65 1.52 0.92 0.80 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 *1148 F 8.42 4.14 0.00 2.29 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 0.00 0.00 0.00 1149 G 8.67 4.05 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 0.00 0.00 0.00 0.00 0.00 0.00 1150 A 7.45 5.03 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 *1151 T 7.83 4.33 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 1.21 0.00 0.00 *1152 I 8.03 4.85 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.67 0.91 0.00 0.00 *1153 S 8.44 4.75 0.00 3.40 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 *1154 F 8.92 4.53 0.00 2.06 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 0.00 0.00 0.00 0.00 *1155 S 9.15 4.65 0.00 3.34 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1156 C 8.99 4.89 0.00 2.49 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 *1157 N 8.96 4.70 0.00 2.37 2.77 0.00 0.00 7.60 7.04 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 *1158 T 8.33 4.24 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 1.21 0.00 0.00 1159 G 9.56 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 *1160 Y 7.07 4.85 0.00 2.19 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 0.00 0.00 0.00 0.00 *1161 K 8.49 4.66 0.00 1.41 1.66 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.80 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.25 1.22 7.81 *1162 L 8.87 4.31 0.00 1.42 1.53 0.92 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 *1163 F 8.22 4.67 0.00 1.94 2.18 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 1164 G 7.83 3.88 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 0.00 0.00 0.00 0.00 0.00 0.00 *1165 S 7.56 4.58 0.00 3.58 3.58 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 *1166 T 8.74 4.68 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 1.21 0.00 0.00 *1167 S 7.66 5.13 0.00 3.42 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1168 S 7.91 4.75 0.00 3.42 3.68 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 *1169 F 8.62 5.04 0.00 1.93 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1170 C 9.32 4.84 0.00 2.48 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 *1171 L 8.71 5.07 0.00 1.24 1.50 0.92 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 *1172 I 8.53 4.26 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.67 0.91 0.00 0.00 *1173 S 7.95 4.59 0.00 3.62 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 1174 G 7.52 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1175 S 7.45 4.55 0.00 3.58 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1176 S 7.87 3.86 0.00 3.84 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 *1177 V 8.30 3.83 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 0.84 0.00 0.00 0.93 0.00 0.00 *1178 Q 8.84 4.72 0.00 1.70 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.65 0.00 0.00 0.00 0.00 0.00 2.19 2.19 0.00 *1179 W 8.50 4.60 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 0.00 0.00 0.00 *1180 S 8.82 4.28 0.00 3.41 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 *1181 D 7.88 4.80 0.00 2.65 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *1182 P 0.00 4.60 0.00 2.08 1.85 0.00 3.75 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 *1183 L 8.81 3.96 0.00 1.65 1.56 0.92 0.75 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 *1184 P 0.00 4.76 0.00 2.08 1.79 0.00 3.65 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.58 0.00 *1185 E 8.49 4.90 0.00 1.72 1.77 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 2.13 2.10 0.00 *1186 C 8.98 4.98 0.00 2.44 2.89 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 *1187 R 9.07 4.61 0.00 1.45 1.84 0.00 3.24 0.00 0.00 3.20 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.42 0.00 *1188 E 8.99 4.45 0.00 1.75 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 2.23 1.89 0.00 *1189 H 8.13 4.49 0.00 2.84 2.79 0.00 7.20 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.