NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4506 8.1933 115.2931 58.0919 63.5802 174.4793 3 Q 3.9932 8.5916 127.7824 58.3767 28.6408 177.1308 4 S 4.1074 8.7711 117.3173 61.6415 63.3669 175.9073 5 N 4.3252 8.0007 118.7638 56.2496 38.1777 177.4253 6 R 3.8798 7.6307 119.0001 59.4123 30.1856 178.2340 7 E 3.8338 7.9797 118.7274 59.0005 29.6373 178.6131 8 L 3.9236 7.8672 120.5397 57.8721 42.0749 178.9541 9 V 3.5502 7.8629 118.2476 66.1963 31.4506 178.0500 10 V 2.9640 7.8151 117.9968 65.8608 31.1930 177.5266 11 D 4.1166 7.8928 117.6129 57.0823 41.0208 178.0333 12 F 3.9796 8.1350 121.0130 61.2391 39.4204 176.9530 13 L 4.1364 8.3611 118.9158 58.1719 41.5303 179.6766 14 S 4.3233 8.1567 115.1437 61.7849 62.7244 176.2367 15 Y 4.1065 8.0488 121.9414 60.7897 38.0327 178.1555 16 K 3.8630 7.8493 120.7679 58.7337 32.1238 179.2682 17 L 4.3071 8.2617 119.6537 57.9680 41.5859 179.8143 18 S 5.0300 8.0439 115.3002 60.9136 62.5904 176.4301 19 Q 3.8516 7.9055 121.5890 57.7751 28.0835 177.6530 20 K 4.3250 7.1438 117.6749 55.6038 32.5800 177.2263 21 G 3.7610 7.9578 108.1095 45.3786 0.0000 173.4004 22 Y 4.8297 7.5918 117.9753 56.7140 39.4816 174.5390 23 S 5.0608 8.2173 114.6062 55.7769 66.0449 173.7716 24 W 4.0626 8.8970 132.4751 57.6981 30.8294 175.4633 25 S 4.2933 7.7017 119.7249 56.6931 63.7867 172.5171 26 Q 4.1871 8.1399 128.1325 54.5974 32.0058 175.1617 *83 M 4.2496 8.3703 124.3526 54.8186 33.7193 177.3144 84 A 3.9947 8.0402 122.0882 55.2911 18.6953 179.2628 85 A 3.9814 7.8507 118.8107 55.0190 18.6336 179.8490 86 V 3.5920 7.6595 116.2625 66.1154 31.6345 178.1587 87 K 3.7545 7.9085 118.1928 59.5508 31.8965 179.1725 88 Q 3.9170 8.0459 119.3417 58.9811 28.9305 177.8672 89 A 4.3109 8.0182 123.2388 54.6211 18.3865 179.4080 90 L 3.9585 8.3686 119.2362 58.1868 42.0127 179.2896 91 R 3.8888 8.2328 118.3517 59.3976 29.6657 178.7411 92 E 3.9631 8.3238 117.9646 59.5651 29.4103 179.4574 93 A 4.3348 8.4729 120.9898 54.9987 18.4428 179.9809 94 G 3.5381 8.3970 104.4414 48.1430 0.0000 175.4706 95 D 4.4231 8.3536 122.0279 57.1979 40.7549 178.7227 96 E 4.0011 8.1380 119.2475 58.7884 29.7461 178.3706 97 F 3.9797 8.6006 121.1355 61.3658 39.2894 177.0537 98 E 3.7099 8.4072 118.2683 59.1645 29.2985 178.9051 99 L 3.9931 7.8930 120.7356 58.1503 42.0859 179.1662 100 R 3.9117 8.0026 115.4266 57.7889 30.0037 176.2209 101 Y 4.9261 7.2424 118.4906 56.9125 38.9615 178.0311 102 R 4.1964 7.9955 122.0792 58.8335 30.5423 178.2584 103 R 3.8879 8.0532 117.1522 59.5550 29.7105 178.1285 104 A 4.0434 8.0753 119.9948 55.0985 18.3294 179.2142 105 F 4.3657 9.0147 119.6748 61.6377 39.5112 177.6310 106 S 4.0276 8.6032 113.9201 60.9397 62.5564 175.8642 107 D 4.3897 7.7122 122.0473 57.4225 41.0199 178.4183 108 L 4.0405 7.5194 119.3088 58.3449 42.1895 178.6441 109 T 3.7226 7.7317 115.9247 67.0036 68.1898 176.1716 110 S 4.1128 8.3865 116.1229 62.0267 63.0649 176.5334 111 Q 4.2193 7.6715 116.4986 55.5137 28.7861 176.3878 112 L 4.0987 7.2884 121.8403 55.3163 42.2098 177.4005 113 H 4.9341 8.3228 120.6588 53.7229 28.8907 172.3735 114 I 3.9322 7.7594 121.1516 61.3267 38.2059 176.5363 115 T 4.7922 8.1037 114.4128 58.5209 72.9053 173.1170 116 P 4.4294 0.0000 0.0000 66.0526 31.4951 179.0536 117 G 3.8243 8.2056 102.8832 46.7637 0.0000 174.5975 118 T 4.5711 7.6324 109.2491 61.3294 69.4321 175.8928 119 A 4.1054 8.0531 125.1376 55.6521 18.4048 179.4185 120 Y 2.8765 7.9314 117.4978 60.5364 38.8982 177.5306 121 Q 3.8121 8.1390 119.9741 59.5772 28.9219 178.6348 122 S 4.1447 8.1187 115.9548 61.2966 62.7164 176.5109 123 F 4.4354 8.0746 123.0743 61.3537 39.2152 176.6358 124 E 3.6001 7.8585 118.9232 59.4741 29.4722 178.8862 125 Q 3.8567 8.0065 117.8799 58.8206 28.7283 179.0790 126 V 3.3750 7.2792 119.3095 65.7288 31.3890 178.2241 127 V 3.2368 7.4622 118.2694 66.0170 29.7933 177.7082 128 N 4.3410 8.0508 116.1773 56.3689 38.1074 177.1730 129 E 4.1403 7.4551 117.8369 58.7785 29.6360 178.5969 130 L 3.8296 7.6314 120.0077 56.9520 41.7016 177.5545 131 F 5.0737 7.3840 115.5882 56.3001 39.4509 177.4393 132 R 3.8992 7.3249 120.0475 59.2982 29.7861 177.7485 133 D 4.7786 8.9378 114.4697 51.9386 39.7112 175.1769 134 G 4.1943 6.5952 104.5643 43.9822 0.0000 173.2984 135 V 4.2999 7.3492 119.8221 61.0937 33.4621 174.8326 136 N 4.1588 7.7361 121.3027 50.2085 41.1057 175.2706 137 W 5.0055 8.8902 121.5336 60.6347 29.1311 179.0261 138 G 3.9212 8.5717 104.9176 47.7915 0.0000 176.1037 139 R 3.9981 8.1527 119.8712 58.8988 30.2211 178.8986 140 I 4.1392 8.0932 119.8465 64.4117 37.0530 178.5275 141 V 3.6542 8.1825 118.9103 66.0537 31.3337 177.7698 142 A 3.1960 7.6501 120.4048 54.9592 18.1027 179.4506 143 F 4.2455 8.6097 119.3202 61.4237 39.4496 177.3211 144 F 3.6585 8.5809 117.3985 60.7077 38.7903 177.7610 145 S 4.1763 8.4223 114.9856 61.6049 62.6071 176.5915 146 F 4.5996 8.9052 123.8473 61.3854 39.2082 177.3603 147 G 3.4697 8.2076 105.4853 47.5369 0.0000 175.6513 148 G 3.7010 8.3516 108.3725 47.6939 0.0000 175.5190 149 A 4.0848 8.2015 123.6206 54.6615 18.3204 179.4614 150 L 3.7553 7.6856 118.8168 58.2964 42.1064 179.0788 151 C 4.0170 7.8713 116.5121 62.7751 28.0626 176.1051 152 V 3.5664 7.7923 119.7766 66.0040 31.0971 177.5284 153 E 3.9003 8.3965 119.1659 59.4715 29.4181 178.8878 154 S 4.0914 8.1690 115.1814 61.6685 62.8946 177.0396 155 V 3.5252 7.9014 120.7355 66.0490 31.0984 177.4593 156 D 4.4446 8.0864 117.9203 57.3272 40.7738 178.5042 157 K 4.3447 7.6924 115.2760 55.2058 32.4242 176.0191 158 E 4.2381 8.0457 118.1652 57.6418 28.8905 174.3591 159 M 4.8017 8.3392 113.2517 54.1387 32.7059 178.0226 160 Q 4.0460 7.9077 118.5989 59.1464 27.6978 177.9894 161 V 3.6383 7.8214 114.0378 64.1297 31.4331 178.0666 162 L 4.1199 7.9660 118.8893 57.2028 41.3012 179.5172 163 V 3.4082 7.5101 118.5905 66.0530 31.6301 178.3316 164 S 4.0092 7.7953 113.1378 60.9784 62.8061 176.5216 165 R 3.2682 6.9816 121.7148 58.9650 29.6517 178.8371 166 I 2.8038 7.0132 119.5589 63.9093 36.9730 178.1610 167 A 3.8152 7.7044 121.2663 55.2082 18.0734 179.6333 168 A 3.8977 7.4523 118.5765 55.1297 18.4603 179.9760 169 W 4.3854 7.8795 117.8382 60.0050 28.9096 178.8030 170 M 4.6169 8.3653 118.8159 58.5398 31.4336 178.6325 171 A 4.1584 8.2922 120.9565 55.5200 18.4967 179.7472 172 T 3.9298 8.4225 114.5855 67.0343 68.5876 176.2538 173 Y 4.0773 8.3928 121.3448 60.5886 38.8770 177.6179 174 L 3.9739 8.6013 120.3584 58.1503 41.6320 179.3329 175 N 4.3681 8.1593 114.5236 56.6542 38.6764 176.9794 176 D 4.4978 8.2593 118.5105 56.3165 41.1403 176.9987 177 H 4.5421 7.9438 112.8424 53.9657 31.0396 174.5158 178 L 4.2921 7.3600 117.7391 55.1096 43.4395 178.0612 179 E 3.9630 8.1269 119.4581 58.5956 29.4164 177.0036 180 P 4.1951 0.0000 0.0000 65.2757 31.4490 178.3621 181 W 3.9333 8.0299 126.6975 60.2844 30.6407 177.8299 182 I 3.4532 8.1790 120.1673 64.6793 36.3321 178.4541 183 Q 3.9442 7.9737 117.5945 58.7595 28.6279 178.1250 184 E 4.0588 7.6713 118.1422 57.8761 29.4942 177.7744 185 N 4.6064 7.0583 115.6327 52.6983 39.4740 175.5164 186 G 4.3944 7.5615 107.0659 45.4749 0.0000 175.8041 187 G 4.0151 8.4079 110.5031 44.5721 0.0000 174.5842 188 W 4.2962 8.6474 116.9259 59.6453 28.8209 178.1345 189 D 4.4923 8.5037 118.7804 57.9874 40.1843 179.0041 190 T 3.8782 7.8659 116.0559 66.4096 68.4512 176.3912 191 F 3.0251 7.7717 122.1076 61.0141 39.1414 177.1697 192 V 3.5379 8.0943 117.7062 65.9527 31.0955 177.6305 193 E 3.9036 8.0466 117.4383 59.6847 29.4389 179.2357 194 L 3.9471 7.9579 117.7650 56.9962 41.7302 177.5934 195 Y 4.2347 7.8353 114.2355 57.5816 40.0043 176.0922 196 G 3.7514 7.8191 108.8078 45.9395 0.0000 169.4940 197 N 4.0369 8.4809 124.6736 52.9750 38.4732 175.2645 *198 N 4.5352 8.5930 116.4005 52.6579 38.3969 174.0680 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 8.19 4.45 0.00 3.87 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 3 Q 8.59 3.99 0.00 2.24 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.77 0.00 0.00 0.00 0.00 0.00 2.46 2.59 0.00 4 S 8.77 4.11 0.00 3.84 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 5 N 8.00 4.33 0.00 2.73 2.85 0.00 0.00 6.68 8.30 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 6 R 7.63 3.88 0.00 2.02 2.05 0.00 3.18 0.00 0.00 3.14 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.67 0.00 7 E 7.98 3.83 0.00 2.27 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 2.24 2.40 0.00 8 L 7.87 3.92 0.00 2.06 1.71 0.90 0.85 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 9 V 7.86 3.55 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 1.08 0.00 0.00 1.01 0.00 0.00 10 V 7.82 2.96 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 0.10 0.00 0.00 0.75 0.00 0.00 11 D 7.89 4.12 0.00 2.81 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 12 F 8.14 3.98 0.00 3.29 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 13 L 8.36 4.14 0.00 1.79 2.02 1.14 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 14 S 8.16 4.32 0.00 3.91 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 15 Y 8.05 4.11 0.00 2.94 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 16 K 7.85 3.86 0.00 1.85 1.79 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.64 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.89 1.38 7.81 17 L 8.26 4.31 0.00 2.02 1.90 1.18 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 18 S 8.04 5.03 0.00 4.06 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 0.00 19 Q 7.91 3.85 0.00 2.04 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.77 0.00 0.00 0.00 0.00 0.00 2.07 1.72 0.00 20 K 7.14 4.32 0.00 1.74 1.47 0.00 1.64 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.58 7.81 21 G 7.96 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 0.00 0.00 0.00 22 Y 7.59 4.83 0.00 3.24 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 23 S 8.22 5.06 0.00 4.00 3.85 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 24 W 8.90 4.06 0.00 3.44 3.08 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 25 S 7.70 4.29 0.00 3.72 3.52 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 26 Q 8.14 4.19 0.00 1.56 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.69 7.10 0.00 0.00 0.00 0.00 0.00 2.27 2.25 0.00 *83 M 8.37 4.25 0.00 2.06 2.08 0.00 0.00 0.00 0.00 0.00 -0.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.53 0.00 84 A 8.04 3.99 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 A 7.85 3.98 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 86 V 7.66 3.59 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 0.73 0.00 0.00 1.01 0.00 0.00 87 K 7.91 3.75 0.00 1.95 1.79 0.00 1.80 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.37 1.65 7.81 88 Q 8.05 3.92 0.00 2.23 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 89 A 8.02 4.31 1.53 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 0.00 0.00 90 L 8.37 3.96 0.00 1.68 1.62 0.32 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 91 R 8.23 3.89 0.00 2.06 1.97 0.00 3.19 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.92 0.00 92 E 8.32 3.96 0.00 2.25 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 2.35 2.42 0.00 93 A 8.47 4.33 1.49 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 0.00 0.00 94 G 8.40 3.54 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 0.00 95 D 8.35 4.42 0.00 2.95 2.76 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 96 E 8.14 4.00 0.00 2.15 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 2.34 2.36 0.00 97 F 8.60 3.98 0.00 3.27 3.15 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 98 E 8.41 3.71 0.00 2.06 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 1.67 2.22 0.00 99 L 7.89 3.99 0.00 1.83 1.70 0.90 0.93 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 0.00 100 R 8.00 3.91 0.00 1.67 1.78 0.00 2.89 0.00 0.00 3.17 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.50 0.00 101 Y 7.24 4.93 0.00 2.72 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 0.00 102 R 8.00 4.20 0.00 1.89 2.06 0.00 3.38 0.00 0.00 3.40 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 1.69 0.00 103 R 8.05 3.89 0.00 1.91 1.97 0.00 3.20 0.00 0.00 3.36 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.73 0.00 104 A 8.08 4.04 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 0.00 105 F 9.01 4.37 0.00 3.25 3.32 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 0.00 106 S 8.60 4.03 0.00 4.07 4.15 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 0.00 107 D 7.71 4.39 0.00 2.97 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 0.00 108 L 7.52 4.04 0.00 1.71 1.63 0.86 0.77 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 0.00 109 T 7.73 3.72 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 1.12 0.00 0.00 110 S 8.39 4.11 0.00 3.98 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 0.00 111 Q 7.67 4.22 0.00 2.14 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.82 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 112 L 7.29 4.10 0.00 1.79 1.59 1.05 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 113 H 8.32 4.93 0.00 3.09 3.21 0.00 5.90 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 I 7.76 3.93 1.89 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.75 0.95 0.00 0.00 115 T 8.10 4.79 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 1.24 0.00 0.00 116 P 0.00 4.43 0.00 2.08 2.21 0.00 3.71 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 2.05 2.19 0.00 117 G 8.21 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 0.00 0.00 0.00 118 T 7.63 4.57 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 119 A 8.05 4.11 1.67 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 0.00 0.00 120 Y 7.93 2.88 0.00 2.39 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 0.00 121 Q 8.14 3.81 0.00 2.16 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.68 0.00 0.00 0.00 0.00 0.00 2.42 2.62 0.00 122 S 8.12 4.14 0.00 4.04 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 0.00 123 F 8.07 4.44 0.00 3.30 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 0.00 124 E 7.86 3.60 0.00 1.37 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 2.37 2.29 0.00 125 Q 8.01 3.86 0.00 2.08 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.61 0.00 0.00 0.00 0.00 0.00 2.31 2.47 0.00 126 V 7.28 3.38 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 -0.08 0.00 0.00 0.67 0.00 0.00 127 V 7.46 3.24 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 0.04 0.00 0.00 0.13 0.00 0.00 128 N 8.05 4.34 0.00 2.79 2.81 0.00 0.00 7.07 7.19 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 0.00 129 E 7.46 4.14 0.00 1.84 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 2.43 2.35 0.00 130 L 7.63 3.83 0.00 1.29 1.48 0.55 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 131 F 7.38 5.07 0.00 3.07 2.87 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 0.00 132 R 7.32 3.90 0.00 1.90 1.93 0.00 3.19 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.57 0.00 133 D 8.94 4.78 0.00 2.80 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 0.00 134 G 6.60 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 0.00 135 V 7.35 4.30 0.67 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 -0.41 0.00 0.00 0.49 0.00 0.00 136 N 7.74 4.16 0.00 3.04 2.79 0.00 0.00 6.13 8.88 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 0.00 137 W 8.89 5.01 0.00 3.81 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 0.00 138 G 8.57 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 0.00 139 R 8.15 4.00 0.00 2.00 1.60 0.00 3.07 0.00 0.00 3.39 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 140 I 8.09 4.14 2.29 0.00 0.00 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.73 1.42 0.00 0.00 141 V 8.18 3.65 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 0.95 0.00 0.00 1.02 0.00 0.00 142 A 7.65 3.20 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 0.00 143 F 8.61 4.25 0.00 3.17 3.53 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 0.00 144 F 8.58 3.66 0.00 3.25 3.07 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 0.00 145 S 8.42 4.18 0.00 3.87 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 0.00 146 F 8.91 4.60 0.00 3.18 3.27 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 0.00 147 G 8.21 3.47 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 0.00 148 G 8.35 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 0.00 149 A 8.20 4.08 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 0.00 150 L 7.69 3.76 0.00 1.64 1.58 0.75 0.76 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 0.00 151 C 7.87 4.02 0.00 3.12 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 0.00 152 V 7.79 3.57 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 1.07 0.00 0.00 1.02 0.00 0.00 153 E 8.40 3.90 0.00 2.14 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 2.29 2.39 0.00 154 S 8.17 4.09 0.00 3.99 4.08 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 0.00 155 V 7.90 3.53 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 1.01 0.00 0.00 0.91 0.00 0.00 156 D 8.09 4.44 0.00 2.82 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 0.00 157 K 7.69 4.34 0.00 1.82 1.83 0.00 2.02 0.00 0.00 1.63 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.53 7.81 158 E 8.05 4.24 0.00 2.08 2.02 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 2.21 2.26 0.00 159 M 8.34 4.80 0.00 2.04 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.44 0.00 160 Q 7.91 4.05 0.00 2.20 2.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.88 0.00 0.00 0.00 0.00 0.00 2.38 2.37 0.00 161 V 7.82 3.64 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 0.86 0.00 0.00 0.91 0.00 0.00 162 L 7.97 4.12 0.00 1.74 1.64 0.96 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 163 V 7.51 3.41 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 0.95 0.00 0.00 0.87 0.00 0.00 164 S 7.80 4.01 0.00 3.95 3.99 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 0.00 165 R 6.98 3.27 0.00 1.46 0.97 0.00 3.10 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.58 0.00 166 I 7.01 2.80 1.68 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 1.33 0.23 0.73 0.00 0.00 167 A 7.70 3.82 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 0.00 168 A 7.45 3.90 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 0.00 169 W 7.88 4.39 0.00 2.57 2.76 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 0.00 170 M 8.37 4.62 0.00 1.95 2.18 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.53 0.00 171 A 8.29 4.16 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 172 T 8.42 3.93 4.49 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 1.40 0.00 0.00 173 Y 8.39 4.08 0.00 3.47 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 0.00 174 L 8.60 3.97 0.00 2.19 1.93 1.29 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 175 N 8.16 4.37 0.00 2.96 2.93 0.00 0.00 7.19 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176 D 8.26 4.50 0.00 2.72 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 0.00 177 H 7.94 4.54 0.00 1.78 2.41 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 178 L 7.36 4.29 0.00 1.62 1.52 -0.16 0.33 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 0.00 179 E 8.13 3.96 0.00 2.31 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 2.36 2.42 0.00 180 P 0.00 4.20 0.00 2.17 2.05 0.00 3.49 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 181 W 8.03 3.93 0.00 3.26 3.10 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 0.00 182 I 8.18 3.45 1.99 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 1.31 0.73 0.65 0.00 0.00 183 Q 7.97 3.94 0.00 2.05 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.01 0.00 0.00 0.00 0.00 0.00 2.66 2.55 0.00 184 E 7.67 4.06 0.00 1.54 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 2.24 2.44 0.00 185 N 7.06 4.61 0.00 1.44 2.09 0.00 0.00 7.26 7.68 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 0.00 186 G 7.56 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 0.00 0.00 0.00 0.00 187 G 8.41 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 0.00 188 W 8.65 4.30 0.00 3.53 3.30 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 0.00 189 D 8.50 4.49 0.00 2.76 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 0.00 190 T 7.87 3.88 4.57 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 1.35 0.00 0.00 191 F 7.77 3.03 0.00 1.51 3.05 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 0.00 192 V 8.09 3.54 2.29 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 1.05 0.00 0.00 1.13 0.00 0.00 193 E 8.05 3.90 0.00 2.08 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 2.34 2.60 0.00 194 L 7.96 3.95 0.00 1.45 1.36 1.07 0.65 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 0.00 195 Y 7.84 4.23 0.00 1.95 2.67 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 0.00 196 G 7.82 3.75 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 0.00 0.00 0.00 197 N 8.48 4.04 0.00 2.86 2.82 0.00 0.00 6.74 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *198 N 8.59 4.54 0.00 2.66 2.63 0.00 0.00 6.58 7.56 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 * Residues marked with a * may have inaccurate shift predictions.