NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 30 S 4.6116 8.3193 115.5527 58.3904 65.0339 173.7192 31 I 4.2001 7.4639 110.0876 58.8477 41.0771 169.0415 32 V 4.2696 9.1492 126.7276 61.5970 32.0030 176.7562 33 L 4.2902 8.5909 128.6437 54.2753 42.4358 177.4572 34 E 4.0681 8.6708 120.9842 55.8646 30.0030 175.5821 35 P 4.5792 0.0000 0.0000 63.0445 32.6300 175.6163 36 I 4.4046 8.6041 122.7871 59.9342 39.1896 174.6212 37 Y 4.4700 8.8110 126.1151 57.0968 38.2415 176.3183 38 W 4.6815 9.1159 135.0000 56.0653 29.1671 174.6494 39 N 5.3644 7.9522 120.6861 50.6217 40.5723 176.1968 40 S 4.1604 9.7799 115.1278 60.3708 63.1152 175.1081 41 S 4.5247 8.3142 114.9709 57.9539 62.8967 173.3154 42 N 4.6405 8.1041 121.8409 52.9876 38.7823 175.6375 43 S 4.4477 8.6348 120.1737 59.6760 63.5993 175.4060 44 K 3.8678 8.3344 120.9489 58.7995 31.8275 177.0138 45 F 4.4064 7.4119 116.6635 56.0142 38.1734 175.4999 46 L 4.2327 8.2894 126.7809 53.4764 42.1510 175.6025 47 P 4.3804 0.0000 0.0000 64.1886 31.9522 176.0267 48 G 4.3539 9.0031 116.5299 46.4174 0.0000 174.9036 49 Q 4.1703 8.0240 117.2097 55.6539 30.1492 177.7865 50 G 4.2366 8.4126 106.2120 44.7322 0.0000 171.0819 51 L 4.8766 8.5148 122.1811 53.2884 44.5144 176.8074 52 V 4.7922 8.3260 124.7763 61.1348 34.0863 174.3070 53 L 4.8695 9.1031 126.5665 52.5968 46.0132 175.4205 54 Y 5.2295 8.1066 115.2453 54.9921 37.1195 173.8408 55 P 4.1792 0.0000 0.0000 62.7301 33.4517 177.1296 56 Q 4.8306 9.1084 120.1194 53.7031 31.8912 175.4434 57 I 3.9199 8.1880 122.3958 63.2231 37.4536 176.2716 58 G 4.0507 9.0826 114.1144 45.4779 0.0000 173.5344 59 D 4.8911 8.2167 119.7791 54.0705 42.5206 175.3842 60 K 5.1904 8.6549 117.6056 55.0284 36.8703 175.7005 61 L 4.7695 8.6310 123.7374 54.1831 45.8858 174.1853 62 D 5.2205 8.7875 125.8221 53.1620 43.4166 175.2347 63 I 4.8934 8.7394 123.1996 59.7041 40.0721 174.4625 64 I 4.6173 8.4514 128.6466 59.3491 39.0844 175.0283 65 C 4.8741 8.8619 125.1415 56.1854 40.9554 172.1345 66 P 4.6371 0.0000 0.0000 63.0796 31.6821 175.7596 67 K 4.7276 8.6734 124.2815 54.7912 34.9522 175.3216 68 V 4.6435 8.9657 121.4988 59.5273 33.9440 172.8001 69 D 4.9534 9.6117 122.9535 53.9534 40.0777 178.3401 70 S 4.6546 9.5840 113.4202 57.8077 65.1379 174.0084 71 K 4.4210 8.5423 119.4783 55.7666 32.4939 175.2482 72 T 4.4686 7.8643 107.6842 60.2719 69.9972 173.5360 73 V 3.9733 8.8157 126.6622 60.6871 32.5362 175.3729 74 G 4.3524 7.9628 114.6892 44.5367 0.0000 171.6015 75 Q 4.5209 7.8187 118.9119 54.1427 30.2617 175.7956 76 Y 4.3356 8.4876 117.8099 58.6664 38.3619 175.9661 77 E 4.8306 8.5242 123.1163 54.6018 32.0927 174.7115 78 Y 4.8696 8.3036 120.7921 56.4894 41.1865 174.4358 79 Y 5.0086 8.8337 119.7639 56.7044 43.2748 173.7836 80 K 4.8753 8.9449 121.8285 54.6364 34.6032 175.7171 81 V 4.2597 8.6710 125.7502 61.1765 33.7869 174.0155 82 Y 4.9652 8.8236 124.6424 56.2768 41.9322 174.0667 83 M 4.9904 8.6468 121.8536 55.0075 32.3051 175.4105 84 V 4.7832 9.0058 118.5368 59.8191 37.2653 174.3098 85 D 4.8561 8.5553 121.2697 52.1503 40.8887 177.3872 86 K 2.4800 8.4437 120.3163 59.4457 31.8257 177.8161 87 D 4.2163 7.9418 117.2550 57.7004 41.1220 178.2405 88 Q 3.9528 8.5990 118.3794 58.6877 28.7090 178.7370 89 A 3.9851 7.7827 121.8549 55.3124 18.2468 179.3278 90 D 4.3261 7.9042 116.2065 57.2311 41.0201 178.4793 91 R 4.2774 7.8715 115.0059 54.9640 31.9134 175.6154 92 C 4.3977 7.9516 116.5368 57.9142 38.1190 171.9225 93 T 5.3593 8.1196 107.8677 59.9844 72.3139 175.1877 94 I 4.5320 8.1449 115.7424 59.0792 40.5528 175.0307 95 K 4.4197 8.4778 126.6177 55.8408 33.5072 178.7713 *96 K 4.1840 8.7593 124.0593 56.2029 31.7032 177.6467 97 E 4.3902 7.8383 114.6404 58.0378 30.4620 176.6231 98 N 4.5690 8.1721 118.2583 53.3450 39.1470 174.1501 99 T 4.7311 8.2867 115.6464 59.2476 69.9043 171.9753 100 P 3.3411 0.0000 0.0000 62.7931 31.6991 176.1097 101 L 3.9442 8.0794 122.4259 56.5728 41.7025 176.5593 102 L 4.2716 7.0958 121.8201 53.4558 45.3073 174.2493 103 N 4.7141 8.6954 125.8222 52.2131 39.5860 174.0681 104 C 4.6325 9.4698 123.9313 55.1253 39.7498 173.4236 105 A 4.6636 8.2508 121.9809 51.5929 20.1829 177.2932 106 R 4.5188 7.3606 115.8311 53.9326 30.5856 174.3522 107 P 4.0752 0.0000 0.0000 64.6586 31.5518 178.0794 108 D 4.8664 7.4079 116.7549 52.9620 39.5480 175.1101 109 Q 4.4597 7.9777 118.3445 54.9582 33.0098 173.4407 110 D 4.6396 8.4648 118.8508 53.8012 41.4588 176.5992 111 V 4.5662 8.1742 124.0027 61.1839 34.6845 173.8511 112 K 5.1302 8.6058 125.6462 55.5954 36.1182 174.9844 113 F 4.8399 9.1285 122.7470 56.8055 42.6420 173.4608 114 T 4.6391 7.6435 122.6987 62.2023 69.6370 174.2335 115 I 3.8197 8.7707 129.1095 60.3113 38.5530 175.0472 116 K 4.4873 8.1962 126.6293 54.0964 33.7566 177.6519 117 F 3.9738 8.4241 127.9242 56.1210 36.9775 174.8740 118 Q 4.6438 7.7364 118.9333 55.0434 30.7280 178.7129 119 E 4.0536 8.5658 120.3398 57.6827 29.8633 177.3865 120 F 5.1991 7.4582 116.2221 55.4281 40.4925 174.5164 121 S 4.4258 9.6364 121.0035 56.9172 62.9186 173.3091 122 P 4.3352 0.0000 0.0000 64.9864 31.7997 175.0525 123 N 4.5860 7.1083 114.6118 51.1850 40.1279 174.8598 124 L 3.9161 8.0707 117.5812 57.3349 41.5625 178.4088 125 W 4.6794 7.1810 111.5875 56.2304 28.7333 176.7220 126 G 4.3387 7.1532 107.7119 44.8920 0.0000 173.1047 127 L 4.5008 8.1474 119.5915 53.5105 43.2373 176.1811 128 E 4.8416 8.1288 120.4361 54.6232 32.8950 175.0817 129 F 4.8064 9.1261 121.6249 55.6742 43.0290 174.3694 130 Q 4.7454 9.1679 119.8322 53.5013 31.7824 176.1562 131 K 4.1187 8.5984 120.3808 58.1036 33.4260 176.1285 132 N 4.2639 8.6443 116.2637 54.5541 36.6313 174.1491 133 K 4.6977 7.7394 116.6020 54.8196 36.5117 174.4207 134 D 5.2141 8.3299 124.4511 52.9167 43.5102 174.9286 135 Y 4.7974 8.7900 119.2665 56.4110 42.3643 174.0709 136 Y 5.4327 8.5766 118.9859 56.4244 42.2627 174.6893 137 I 5.3386 9.3015 123.4389 59.7568 41.3889 174.6239 138 I 5.3234 8.8607 118.9094 59.7256 42.2466 173.5898 139 S 5.1446 8.7808 116.5394 56.8966 65.4926 173.8742 140 T 5.2983 8.6267 115.3810 61.0729 70.0834 174.5100 141 S 4.8313 8.3316 119.0469 58.9817 64.2004 174.2091 142 N 4.9625 9.0532 117.3594 52.8154 37.6090 174.9069 143 G 3.6929 8.5764 109.1630 45.7878 0.0000 174.0361 144 S 4.8258 8.3175 114.1153 56.7451 64.8013 174.8922 145 L 2.8886 8.3396 123.7281 58.1007 41.7416 179.3490 146 E 3.9360 8.1074 116.0088 58.5835 29.7508 177.8126 147 G 4.3628 7.6912 106.6152 44.7314 0.0000 175.1946 148 L 3.9358 7.6553 123.8337 57.7693 42.0089 177.7078 149 D 4.8219 7.8868 114.6960 53.9576 41.4539 176.1989 150 N 4.4263 7.8776 118.3302 53.9521 39.0995 175.4238 151 Q 4.5157 8.5822 118.9819 54.6475 29.5126 174.5408 152 E 5.0660 7.8024 118.2796 55.8833 34.2627 173.5273 153 G 3.9255 8.9020 116.2046 44.5346 0.0000 178.1429 154 G 4.2742 8.7790 116.3889 44.7545 0.0000 174.0890 155 V 3.6761 8.3223 111.4697 63.9910 31.7085 177.7728 156 C 4.4250 8.3078 120.2304 59.4641 43.6804 175.2267 157 Q 4.0005 8.0940 119.0482 58.1090 29.0928 176.2897 158 T 4.3170 8.0222 106.7784 62.6662 69.6013 175.5450 159 R 4.4449 7.5655 117.1679 54.5361 32.0306 174.5242 160 A 3.9802 7.7874 119.0446 52.3925 15.5600 177.7936 161 M 3.3717 7.8781 121.5483 54.9574 31.1625 176.1129 162 K 5.4230 8.0523 120.8332 55.6270 36.9545 175.0878 163 I 5.2323 9.6579 121.6165 59.5819 41.5332 174.0657 164 L 4.9004 8.9995 128.2613 53.4803 44.6604 174.7426 165 M 4.7076 9.2710 126.5907 53.8164 34.4047 175.3665 166 K 4.7551 8.7141 125.8638 53.6561 31.8717 175.4332 167 V 3.6592 8.5533 124.5377 63.0738 33.0081 175.8861 168 G 4.7297 8.8276 116.1009 46.2377 0.0000 172.5418 169 Q 4.4621 7.6446 116.9428 56.1336 32.7241 174.7841 170 D 3.7402 8.7196 117.6490 55.7121 41.6495 176.9363 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 30 S 8.32 4.61 0.00 3.89 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 31 I 7.46 4.20 1.85 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.26 0.89 0.00 0.00 32 V 9.15 4.27 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 0.80 0.00 0.00 0.92 0.00 0.00 33 L 8.59 4.29 0.00 1.66 1.58 0.76 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.67 4.07 0.00 1.97 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 2.33 2.31 0.00 35 P 0.00 4.58 0.00 1.79 1.97 0.00 3.78 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 2.10 2.04 0.00 36 I 8.60 4.40 1.98 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 1.20 0.79 1.07 0.00 0.00 37 Y 8.81 4.47 0.00 2.94 3.06 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 38 W 9.12 4.68 0.00 3.50 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 39 N 7.95 5.36 0.00 3.35 3.03 0.00 0.00 5.87 7.16 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 40 S 9.78 4.16 0.00 3.97 4.12 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 41 S 8.31 4.52 0.00 4.01 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 42 N 8.10 4.64 0.00 2.93 3.10 0.00 0.00 6.94 6.92 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 43 S 8.63 4.45 0.00 4.02 3.98 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 44 K 8.33 3.87 0.00 1.53 1.61 0.00 1.65 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.39 1.34 7.81 45 F 7.41 4.41 0.00 3.00 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 46 L 8.29 4.23 0.00 1.90 1.61 0.94 0.97 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 47 P 0.00 4.38 0.00 2.05 2.01 0.00 3.78 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 2.04 2.11 0.00 48 G 9.00 4.35 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 0.00 49 Q 8.02 4.17 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.57 0.00 0.00 0.00 0.00 0.00 2.37 2.38 0.00 50 G 8.41 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 0.00 0.00 0.00 0.00 51 L 8.51 4.88 0.00 1.43 1.52 0.83 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 52 V 8.33 4.79 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 0.65 0.00 0.00 0.94 0.00 0.00 53 L 9.10 4.87 0.00 1.41 1.39 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 54 Y 8.11 5.23 0.00 2.71 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 55 P 0.00 4.18 0.00 0.49 1.13 0.00 3.35 0.00 0.00 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.96 0.00 56 Q 9.11 4.83 0.00 1.96 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.98 0.00 0.00 0.00 0.00 0.00 2.20 2.40 0.00 57 I 8.19 3.92 1.85 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 1.34 0.73 0.94 0.00 0.00 58 G 9.08 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 59 D 8.22 4.89 0.00 2.56 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 60 K 8.65 5.19 0.00 1.68 1.59 0.00 1.59 0.00 0.00 1.53 0.00 0.00 2.74 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.27 1.33 7.81 61 L 8.63 4.77 0.00 1.97 1.62 0.97 1.33 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 62 D 8.79 5.22 0.00 2.55 2.46 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 63 I 8.74 4.89 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.83 1.01 0.00 0.00 64 I 8.45 4.62 1.27 0.00 0.00 0.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.40 0.89 0.00 0.00 65 C 8.86 4.87 0.00 3.04 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 66 P 0.00 4.64 0.00 2.02 2.16 0.00 3.81 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.68 0.00 67 K 8.67 4.73 0.00 1.74 1.70 0.00 1.91 0.00 0.00 1.75 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.56 7.81 68 V 8.97 4.64 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 0.90 0.00 0.00 1.24 0.00 0.00 69 D 9.61 4.95 0.00 2.59 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 0.00 0.00 0.00 70 S 9.58 4.65 0.00 3.85 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 71 K 8.54 4.42 0.00 1.69 1.77 0.00 1.74 0.00 0.00 1.76 0.00 0.00 3.01 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.34 1.33 7.81 72 T 7.86 4.47 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 1.27 0.00 0.00 73 V 8.82 3.97 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 0.82 0.00 0.00 0.94 0.00 0.00 74 G 7.96 4.35 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 0.00 75 Q 7.82 4.52 0.00 2.10 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.82 0.00 0.00 0.00 0.00 0.00 2.33 2.32 0.00 76 Y 8.49 4.34 0.00 2.94 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 77 E 8.52 4.83 0.00 1.96 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 0.00 2.25 2.50 0.00 78 Y 8.30 4.87 0.00 2.75 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 79 Y 8.83 5.01 0.00 2.95 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 80 K 8.94 4.88 0.00 1.74 1.56 0.00 1.75 0.00 0.00 1.65 0.00 0.00 2.68 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.25 1.35 7.81 81 V 8.67 4.26 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 0.13 0.00 0.00 -0.16 0.00 0.00 82 Y 8.82 4.97 0.00 2.91 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 83 M 8.65 4.99 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.71 0.00 84 V 9.01 4.78 2.27 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 0.82 0.00 0.00 0.99 0.00 0.00 85 D 8.56 4.86 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 86 K 8.44 2.48 0.00 1.55 1.66 0.00 1.83 0.00 0.00 1.73 0.00 0.00 2.96 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.46 1.24 7.81 87 D 7.94 4.22 0.00 2.75 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 88 Q 8.60 3.95 0.00 2.21 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.32 2.43 0.00 89 A 7.78 3.99 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 90 D 7.90 4.33 0.00 2.74 2.72 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 91 R 7.87 4.28 0.00 1.76 1.94 0.00 3.29 0.00 0.00 3.34 7.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.77 0.00 92 C 7.95 4.40 0.00 3.14 3.09 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 0.00 93 T 8.12 5.36 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 1.23 0.00 0.00 94 I 8.14 4.53 1.26 0.00 0.00 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 1.22 0.50 0.58 0.00 0.00 95 K 8.48 4.42 0.00 1.88 1.85 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.42 1.26 7.81 *96 K 8.76 4.18 0.00 1.77 1.72 0.00 1.79 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 1.00 7.81 97 E 7.84 4.39 0.00 2.07 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 2.21 2.31 0.00 98 N 8.17 4.57 0.00 2.62 2.78 0.00 0.00 6.66 7.47 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 99 T 8.29 4.73 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 1.22 0.00 0.00 100 P 0.00 3.34 0.00 1.68 1.23 0.00 3.57 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.64 0.00 101 L 8.08 3.94 0.00 0.62 1.37 0.59 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.10 4.27 0.00 1.45 1.15 0.91 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 103 N 8.70 4.71 0.00 2.59 2.61 0.00 0.00 7.25 7.65 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 0.00 104 C 9.47 4.63 0.00 3.23 3.09 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 0.00 105 A 8.25 4.66 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 0.00 106 R 7.36 4.52 0.00 1.74 1.73 0.00 3.12 0.00 0.00 3.35 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 107 P 0.00 4.08 0.00 1.21 1.65 0.00 3.26 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.63 0.90 0.00 108 D 7.41 4.87 0.00 2.75 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 0.00 109 Q 7.98 4.46 0.00 1.93 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.48 6.83 0.00 0.00 0.00 0.00 0.00 2.23 2.43 0.00 110 D 8.46 4.64 0.00 2.66 2.62 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 0.00 111 V 8.17 4.57 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 1.01 0.00 0.00 0.90 0.00 0.00 112 K 8.61 5.13 0.00 1.86 1.69 0.00 1.61 0.00 0.00 1.60 0.00 0.00 2.65 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.29 1.40 7.81 113 F 9.13 4.84 0.00 3.03 2.86 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 0.00 114 T 7.64 4.64 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 1.04 0.00 0.00 115 I 8.77 3.82 1.51 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 1.43 0.92 -0.04 0.00 0.00 116 K 8.20 4.49 0.00 1.52 1.65 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.79 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.25 1.26 7.81 117 F 8.42 3.97 0.00 2.85 2.63 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 0.00 0.00 0.00 0.00 118 Q 7.74 4.64 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.86 6.92 0.00 0.00 0.00 0.00 0.00 2.60 2.42 0.00 119 E 8.57 4.05 0.00 1.16 1.12 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 2.12 2.10 0.00 120 F 7.46 5.20 0.00 3.03 2.88 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 0.00 121 S 9.64 4.43 0.00 3.90 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 0.00 122 P 0.00 4.34 0.00 2.09 2.10 0.00 3.73 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 1.76 1.87 0.00 123 N 7.11 4.59 0.00 1.75 2.23 0.00 0.00 6.80 6.55 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 0.00 124 L 8.07 3.92 0.00 1.68 1.93 1.00 0.89 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 0.00 125 W 7.18 4.68 0.00 3.40 3.33 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 0.00 126 G 7.15 4.34 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 0.00 127 L 8.15 4.50 0.00 1.61 1.19 1.15 0.78 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 0.00 128 E 8.13 4.84 0.00 1.68 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 2.24 2.25 0.00 129 F 9.13 4.81 0.00 2.93 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 0.00 130 Q 9.17 4.75 0.00 2.17 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.88 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 131 K 8.60 4.12 0.00 1.89 1.84 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.94 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.44 1.50 7.81 132 N 8.64 4.26 0.00 2.92 2.94 0.00 0.00 6.64 6.89 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 0.00 133 K 7.74 4.70 0.00 1.96 1.94 0.00 1.57 0.00 0.00 1.82 0.00 0.00 2.99 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.29 0.97 7.81 134 D 8.33 5.21 0.00 2.55 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 0.00 135 Y 8.79 4.80 0.00 3.12 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 0.00 136 Y 8.58 5.43 0.00 3.29 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 0.00 137 I 9.30 5.34 2.10 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.03 0.92 0.00 0.00 138 I 8.86 5.32 2.04 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 1.23 0.80 1.08 0.00 0.00 139 S 8.78 5.14 0.00 4.27 4.12 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 0.00 140 T 8.63 5.30 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 1.27 0.00 0.00 141 S 8.33 4.83 0.00 4.20 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 0.00 142 N 9.05 4.96 0.00 2.72 2.94 0.00 0.00 6.36 7.00 0.00 0.00 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 G 8.58 3.69 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 0.00 0.00 0.00 144 S 8.32 4.83 0.00 3.98 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 0.00 145 L 8.34 2.89 0.00 0.81 1.40 0.42 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 146 E 8.11 3.94 0.00 1.92 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 2.27 2.31 0.00 147 G 7.69 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 0.00 148 L 7.66 3.94 0.00 1.60 1.66 1.02 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 149 D 7.89 4.82 0.00 2.71 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 0.00 150 N 7.88 4.43 0.00 3.08 2.76 0.00 0.00 6.86 7.81 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 0.00 151 Q 8.58 4.52 0.00 2.05 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.85 0.00 0.00 0.00 0.00 0.00 2.29 2.44 0.00 152 E 7.80 5.07 0.00 1.85 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 2.19 2.42 0.00 153 G 8.90 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 0.00 0.00 0.00 154 G 8.78 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 0.00 0.00 0.00 155 V 8.32 3.68 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 0.83 0.00 0.00 1.09 0.00 0.00 156 C 8.31 4.43 0.00 3.26 3.36 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 0.00 157 Q 8.09 4.00 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.76 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 158 T 8.02 4.32 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 1.28 0.00 0.00 159 R 7.57 4.44 0.00 1.73 1.81 0.00 3.31 0.00 0.00 3.16 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.57 0.00 160 A 7.79 3.98 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 0.00 161 M 7.88 3.37 0.00 0.69 1.69 0.00 0.00 0.00 0.00 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.81 0.00 162 K 8.05 5.42 0.00 1.99 2.01 0.00 1.54 0.00 0.00 1.89 0.00 0.00 2.95 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.62 7.81 163 I 9.66 5.23 2.13 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.41 1.01 0.00 0.00 164 L 9.00 4.90 0.00 1.68 1.39 0.86 0.68 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 0.00 165 M 9.27 4.71 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.55 0.00 166 K 8.71 4.76 0.00 1.11 1.84 0.00 1.51 0.00 0.00 1.25 0.00 0.00 2.90 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.39 0.77 7.81 167 V 8.55 3.66 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 0.92 0.00 0.00 1.06 0.00 0.00 168 G 8.83 4.73 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 0.00 169 Q 7.64 4.46 0.00 2.27 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.17 0.00 0.00 0.00 0.00 0.00 2.31 2.60 0.00 170 D 8.72 3.74 0.00 2.61 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 * Residues marked with a * may have inaccurate shift predictions.