NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4375 8.3049 120.3273 55.2877 32.1995 174.3921 2 K 4.4426 8.2474 122.5397 54.2858 34.7467 174.4461 3 T 4.6647 8.0868 117.3222 61.7761 71.4603 173.9509 4 I 4.7071 7.9627 117.7742 59.0028 40.7995 174.5256 5 E 4.5077 8.5113 120.9257 55.5893 30.7203 176.5099 6 V 4.4865 7.9465 114.5844 58.4667 35.7434 175.5436 7 D 4.4801 8.8528 124.4636 54.1240 40.7036 177.3378 8 D 4.5130 8.9103 121.4131 57.9292 40.6608 179.3869 9 E 4.0289 8.1463 118.3861 59.4004 29.5425 178.9458 10 L 4.1045 8.8992 120.7878 58.2800 42.2824 178.1080 11 Y 4.2225 8.2227 119.6003 61.1350 38.5145 178.5511 12 S 4.0449 8.0782 115.9496 61.2374 62.6634 176.0367 13 Y 4.2905 7.4863 122.0457 60.7530 38.8580 177.3863 14 I 3.6321 8.2031 120.9995 63.9352 37.1641 178.2279 15 A 3.8238 7.6205 121.5722 55.0519 18.0482 179.6218 16 S 4.2138 7.5243 110.6073 60.6448 62.9054 174.5048 17 H 4.6384 7.3061 118.7630 55.7826 28.5970 175.1255 18 T 4.0603 7.6474 117.5445 63.8072 68.4562 174.5865 19 K 4.5205 8.2359 123.9527 56.0242 33.3719 175.8134 20 H 4.6084 7.3293 112.1959 54.1945 30.6828 173.0832 21 I 3.7203 8.3851 123.4781 62.4231 38.2310 175.6831 22 G 4.1025 8.9699 116.2498 45.2828 0.0000 173.6996 23 E 4.1024 7.3296 117.8659 55.6922 30.4344 177.7502 24 S 4.3050 8.3999 116.5893 58.4698 65.1381 175.7554 25 R 3.9676 8.5428 121.9632 59.2906 29.6851 179.2878 26 S 4.0879 8.0592 114.9265 61.6978 62.9223 175.8286 27 D 4.3525 8.0290 121.1159 57.6744 40.6841 179.1848 28 I 3.5411 7.4535 119.2873 64.3733 37.0609 178.2093 29 L 3.8852 7.9410 119.5226 58.1960 41.4464 179.6616 30 R 3.7154 8.1737 118.0054 59.6220 29.9222 178.8515 31 R 3.6500 7.8380 118.0232 59.5899 30.0512 178.1685 32 M 3.9058 7.7550 118.1170 58.6682 31.8703 178.6741 33 L 3.9949 8.4955 118.5399 57.8363 42.2657 179.1978 34 K 4.2408 8.0372 119.0560 58.4801 32.1113 178.1084 35 F 4.7159 8.9035 114.3248 57.9365 38.0713 176.9840 36 S 4.3521 9.1164 114.5021 58.8569 63.2344 175.0879 37 A 4.2328 7.5792 123.4018 53.4964 17.0329 177.8838 38 A 4.4015 7.5129 117.3758 52.9927 19.6308 179.4957 39 S 4.0763 7.4341 109.8056 60.4553 63.4773 174.8537 40 Q 4.1291 7.2542 119.1084 55.1628 29.3708 175.2146 *60 K 4.3072 8.3806 118.3592 55.4852 33.2412 174.1933 61 P 4.5418 0.0000 0.0000 63.3614 31.9042 176.9825 62 V 4.4776 7.8762 108.9137 61.7108 34.3229 176.6417 63 K 4.0613 8.2478 121.2716 59.5582 32.3630 178.3787 64 T 4.2714 7.5177 108.9719 60.7842 71.3163 175.2854 65 I 3.4772 8.1836 123.5743 64.7080 37.1835 178.4108 66 K 3.9650 8.0283 119.6310 59.8044 32.0573 178.3493 67 D 4.4037 7.7753 118.8846 56.9700 40.7122 178.9799 68 K 4.0344 8.0158 119.2318 59.3166 32.0212 179.3240 69 V 3.7108 8.3141 118.9189 66.3730 31.5855 178.0722 70 R 3.8492 8.1639 117.8268 59.1632 29.6625 178.4375 71 A 3.9851 7.8511 120.4449 55.4871 18.5098 179.6103 72 M 3.9736 8.6566 117.4884 58.1808 31.8834 179.0819 73 R 3.8282 8.2689 119.4684 59.4794 30.0700 178.4075 74 E 3.9614 7.8023 116.7945 59.0968 29.6495 178.8499 75 L 4.0161 7.6065 120.1616 58.2531 41.9810 178.9161 76 L 3.6336 7.1384 116.9555 57.6771 41.6896 178.9510 77 L 4.3193 7.6523 115.9950 54.6082 42.1363 177.4914 78 S 4.4537 7.3042 114.2168 57.7668 64.3367 174.8373 79 D 4.4960 8.7591 122.0147 57.5076 40.6154 178.4745 80 E 3.9070 8.1983 119.2566 59.7366 28.1503 178.1217 81 Y 4.0780 8.1937 119.0090 60.5584 38.4846 178.0118 82 A 4.3373 7.7129 120.6740 54.8212 18.6563 179.0801 83 E 4.0169 7.9729 116.5998 58.3842 29.8563 178.2143 84 Q 3.9846 6.8185 116.4976 56.4935 29.1568 176.6897 85 K 4.3623 8.5362 120.1317 56.5488 34.2063 177.1670 86 R 4.5247 7.5148 117.2481 54.4431 33.1408 177.1260 87 A 3.9884 8.2552 122.8040 55.3727 18.5306 180.3857 88 V 3.5388 7.8392 117.2563 65.2562 31.1242 178.2793 89 N 4.3339 8.0622 116.3313 56.2087 38.6016 177.3990 90 R 3.8475 7.6868 119.6106 59.0609 30.1017 178.6217 91 F 4.2757 9.0270 120.9905 61.8406 39.3312 177.1883 92 M 3.9046 8.3984 118.0780 58.5033 31.8428 178.7752 93 L 4.1893 7.9998 118.9690 57.6267 41.6202 179.8068 94 L 3.9208 7.8111 118.8974 57.7065 41.6640 179.0750 95 L 4.0642 7.5153 118.8050 58.1293 41.4148 179.4589 96 S 3.9855 8.2394 111.5453 61.9370 62.3927 176.1866 97 T 4.0864 7.9151 118.0414 66.4753 68.2947 176.9211 98 L 4.0704 8.6448 121.4685 58.0064 41.4350 178.9562 99 Y 3.5538 7.9059 119.6936 60.3825 38.4701 177.8572 100 S 4.1704 7.5503 112.2816 59.9063 63.3489 175.6502 101 L 4.4288 7.3720 122.4541 56.6245 42.1036 176.0135 102 D 4.1371 7.6299 113.7905 52.1606 43.0243 175.6784 103 A 3.4220 8.6277 128.6540 55.1455 18.6649 178.3751 104 Q 4.0982 8.0162 116.9385 59.3124 29.3253 177.9839 105 A 3.9860 8.2118 121.3205 55.2932 18.3044 179.1847 106 F 3.9129 8.4023 118.8191 61.0946 39.3490 177.3822 107 A 4.2498 8.0101 121.9060 54.8478 17.8705 179.5562 108 E 3.9577 8.1915 116.3765 59.3875 29.3358 179.2319 109 A 3.6547 7.6186 119.7860 54.6728 18.5487 179.7403 110 T 3.4623 7.1207 114.8295 66.6994 68.3599 176.7569 111 E 4.0167 7.8637 119.1933 59.6413 29.5862 178.4473 112 S 4.3553 7.5741 109.7619 58.2204 62.8837 173.6832 113 L 4.4924 7.9124 123.9973 54.1868 42.1550 174.6458 114 H 4.0518 8.1074 120.1418 54.6166 31.3821 172.0415 115 G 4.1767 6.9249 108.6514 43.9356 0.0000 172.8750 116 R 4.0117 8.7795 118.9008 59.2044 30.1553 178.4320 117 T 4.5011 7.7141 103.4753 60.9896 70.8623 173.7551 118 R 4.4215 7.6559 121.9530 54.6591 31.5455 175.3075 119 V 4.1669 8.1418 122.1466 62.5141 33.0387 174.9794 120 Y 4.7498 8.6710 124.5962 60.1331 39.2825 175.2199 121 F 6.0332 8.7446 115.4176 54.9152 41.7207 174.6000 122 A 5.0347 8.8422 122.9028 50.6137 22.6336 176.5196 123 A 4.4039 9.1200 120.5547 52.7247 19.1526 177.3823 124 D 4.4987 7.4552 113.5566 51.0150 42.8847 175.2702 125 E 3.1206 7.4345 121.0621 58.9714 30.0046 178.6688 126 Q 3.8588 7.8203 118.9696 59.5991 28.8862 178.3359 127 T 3.8348 8.7139 116.8621 66.8149 68.6471 176.4763 128 L 4.1482 7.7939 120.0288 57.1137 41.4816 178.7271 129 L 4.3097 7.6120 116.6296 55.6640 41.9629 178.2758 130 K 4.1348 7.5624 119.7773 59.1821 32.5277 177.9920 131 N 4.5941 8.1063 115.7074 55.5653 38.8596 174.9342 132 G 4.2744 7.3411 106.0824 43.9521 0.0000 171.3023 133 N 4.8350 8.3253 115.1397 53.4820 41.5550 173.5624 134 Q 3.6252 8.6396 120.0141 57.3713 26.2623 174.6711 135 T 4.1730 7.9617 107.4189 61.3333 70.2158 173.8035 136 K 3.9214 7.9538 120.8827 56.9844 29.3102 171.7824 137 P 4.8566 0.0000 0.0000 62.7428 32.9899 177.5147 138 K 4.7177 9.2144 122.2265 54.9646 36.1019 173.9567 139 H 4.1404 7.9311 120.4927 53.9696 31.2130 174.0242 140 V 3.6434 7.3965 118.7588 60.3910 31.6164 174.7436 141 P 4.1152 0.0000 0.0000 63.9979 31.6590 176.2497 142 G 4.0005 8.9288 108.3842 46.4158 0.0000 173.4796 143 T 4.1920 7.3963 113.7076 60.9413 72.4136 172.5440 144 P 4.4041 0.0000 0.0000 64.3955 32.1370 175.6494 145 Y 5.0065 7.4282 117.3471 57.2945 40.2427 174.2079 146 W 5.4112 9.7060 120.4588 55.0445 33.5653 174.9977 147 V 5.2806 9.0476 121.6941 58.6186 34.4534 174.7741 148 I 4.3728 8.2512 116.0461 61.3061 38.1258 175.4264 149 T 4.2687 7.9859 118.6024 64.0775 70.8703 175.2141 150 N 4.8606 8.1148 121.3334 53.0696 35.5530 174.1784 151 T 4.5202 7.3228 109.5735 58.4203 72.3186 174.7719 152 N 4.5159 8.4524 122.1094 53.0248 39.4195 176.3521 153 T 3.8685 8.2794 116.6455 66.5138 68.4166 177.0702 154 G 3.6840 8.0835 107.2209 48.0035 0.0000 175.4490 155 R 3.8511 8.6012 121.7691 58.9718 29.9788 178.6218 156 K 3.5252 7.7176 117.7770 59.4070 31.7050 179.1976 157 C 4.1830 8.0619 116.9849 63.0284 28.1355 175.9233 158 S 4.0643 8.3217 117.0561 62.2228 62.3941 176.9753 159 M 4.2344 8.3061 121.0663 58.4987 31.6941 178.9404 160 I 3.7690 7.7767 119.8009 64.1848 37.2005 177.6680 161 E 3.8927 9.1484 121.4235 60.0119 29.3806 178.0481 162 H 4.1742 8.7211 118.0749 59.7029 29.7987 176.8809 163 I 3.4976 7.8406 121.0637 64.8937 36.9162 178.4334 164 M 4.2573 8.4687 119.6323 58.3218 31.3439 178.5157 165 Q 4.0353 8.8600 120.3193 59.3270 28.9855 178.3479 166 S 4.2120 8.3815 113.5570 60.7243 62.3768 174.7561 167 M 4.3703 7.4914 119.8368 54.4804 32.5803 175.8502 168 Q 3.4896 7.5637 114.9973 57.0332 26.5589 173.8202 169 F 4.6201 7.8252 115.6474 55.2608 40.6459 175.3910 170 P 4.3276 0.0000 0.0000 63.1170 32.6263 176.9176 171 A 3.9857 8.6946 123.0416 55.6216 18.3496 179.6233 172 E 3.8694 8.2548 116.2767 59.7209 29.4968 179.2515 173 L 3.9257 7.9639 119.4228 58.2499 42.0338 178.6765 174 I 3.6003 7.5294 119.4249 64.6514 37.2064 178.1376 175 E 3.9614 8.1248 119.0732 59.2723 29.0287 179.6383 176 K 3.9235 7.8009 117.4296 59.4588 32.5204 179.0170 177 V 3.6967 7.8932 118.6124 66.5453 31.5698 177.9616 178 C 4.4015 8.4921 116.2452 62.3947 27.6577 176.2675 179 G 3.7356 7.8040 106.9204 47.3254 0.0000 175.2322 180 T 4.3244 7.6267 109.8417 63.0708 69.3719 174.9112 181 I 3.9548 7.2603 126.2325 61.7273 37.1039 175.5722 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 1 M 8.30 4.44 0.00 2.03 2.13 0.00 0.00 0.00 0.00 0.00 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.52 0.00 2 K 8.25 4.44 0.00 1.81 1.71 0.00 1.72 0.00 0.00 1.71 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.36 1.53 7.81 3 T 8.09 4.66 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 1.20 0.00 0.00 4 I 7.96 4.71 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 1.43 0.68 0.92 0.00 0.00 5 E 8.51 4.51 0.00 1.98 1.91 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 2.25 2.31 0.00 6 V 7.95 4.49 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 0.80 0.00 0.00 1.03 0.00 0.00 7 D 8.85 4.48 0.00 2.92 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 8 D 8.91 4.51 0.00 2.82 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 9 E 8.15 4.03 0.00 2.04 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 2.43 2.39 0.00 10 L 8.90 4.10 0.00 1.85 2.03 1.14 0.94 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 11 Y 8.22 4.22 0.00 3.04 3.22 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 12 S 8.08 4.04 0.00 4.09 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 13 Y 7.49 4.29 0.00 2.84 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 14 I 8.20 3.63 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 1.39 1.20 0.83 0.00 0.00 15 A 7.62 3.82 1.01 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 0.00 0.00 16 S 7.52 4.21 0.00 3.91 3.97 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 17 H 7.31 4.64 0.00 3.08 3.19 0.00 5.85 0.00 0.00 0.00 0.00 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 T 7.65 4.06 4.17 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 1.16 0.00 0.00 19 K 8.24 4.52 0.00 1.69 1.78 0.00 1.68 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.32 1.42 7.81 20 H 7.33 4.61 0.00 3.20 3.33 0.00 5.46 0.00 0.00 0.00 0.00 6.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 I 8.39 3.72 1.88 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 1.35 0.70 0.93 0.00 0.00 22 G 8.97 4.10 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 0.00 0.00 0.00 23 E 7.33 4.10 0.00 1.96 1.58 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 2.25 2.12 0.00 24 S 8.40 4.31 0.00 4.06 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 25 R 8.54 3.97 0.00 1.94 2.04 0.00 3.19 0.00 0.00 3.39 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.78 0.00 26 S 8.06 4.09 0.00 3.85 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 27 D 8.03 4.35 0.00 2.87 2.68 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 28 I 7.45 3.54 1.92 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.96 0.81 0.00 0.00 29 L 7.94 3.89 0.00 1.86 1.71 0.93 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 30 R 8.17 3.72 0.00 1.94 1.98 0.00 3.28 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.81 0.00 31 R 7.84 3.65 0.00 1.79 1.76 0.00 2.80 0.00 0.00 2.91 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 1.33 0.00 32 M 7.75 3.91 0.00 2.14 2.12 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.28 0.00 33 L 8.50 3.99 0.00 1.64 1.79 0.94 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.04 4.24 0.00 1.84 1.91 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.47 7.81 35 F 8.90 4.72 0.00 3.24 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 36 S 9.12 4.35 0.00 4.06 4.48 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 37 A 7.58 4.23 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.51 4.40 1.32 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 39 S 7.43 4.08 0.00 4.00 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 40 Q 7.25 4.13 0.00 2.24 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 6.48 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 *60 K 8.38 4.31 0.00 1.74 1.77 0.00 1.68 0.00 0.00 2.40 0.00 0.00 3.12 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.44 7.81 61 P 0.00 4.54 0.00 2.32 2.03 0.00 3.72 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 2.04 1.97 0.00 62 V 7.88 4.48 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 0.72 0.00 0.00 0.93 0.00 0.00 63 K 8.25 4.06 0.00 1.71 1.83 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.41 1.40 7.81 64 T 7.52 4.27 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 1.18 0.00 0.00 65 I 8.18 3.48 1.79 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.37 0.81 0.00 0.00 66 K 8.03 3.96 0.00 1.80 1.79 0.00 1.70 0.00 0.00 1.80 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.54 7.81 67 D 7.78 4.40 0.00 2.89 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 68 K 8.02 4.03 0.00 1.84 1.98 0.00 1.26 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.49 1.57 7.81 69 V 8.31 3.71 2.26 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 1.12 0.00 0.00 1.08 0.00 0.00 70 R 8.16 3.85 0.00 2.12 1.92 0.00 3.14 0.00 0.00 3.17 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 71 A 7.85 3.99 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.84 5.03 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 0.00 123 A 9.12 4.40 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 D 7.46 4.50 0.00 2.49 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 0.00 125 E 7.43 3.12 0.00 1.16 1.18 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 2.07 1.93 0.00 126 Q 7.82 3.86 0.00 2.06 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.65 0.00 0.00 0.00 0.00 0.00 2.37 2.46 0.00 127 T 8.71 3.83 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 1.22 0.00 0.00 128 L 7.79 4.15 0.00 1.83 1.77 1.18 1.05 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 0.00 129 L 7.61 4.31 0.00 1.71 1.69 0.87 0.86 0.00 0.00 0.00 0.00 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146 W 9.71 5.41 0.00 3.44 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 0.00 147 V 9.05 5.28 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 1.19 0.00 0.00 0.62 0.00 0.00 148 I 8.25 4.37 1.90 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.40 1.02 0.00 0.00 149 T 7.99 4.27 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 1.19 0.00 0.00 150 N 8.11 4.86 0.00 2.76 2.79 0.00 0.00 6.98 8.43 0.00 0.00 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 T 7.32 4.52 4.06 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 1.02 0.00 0.00 152 N 8.45 4.52 0.00 2.96 2.98 0.00 0.00 6.21 7.22 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 0.00 153 T 8.28 3.87 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 1.18 0.00 0.00 154 G 8.08 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 0.00 0.00 0.00 155 R 8.60 3.85 0.00 1.80 1.93 0.00 3.04 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.52 0.00 156 K 7.72 3.53 0.00 1.79 1.42 0.00 1.41 0.00 0.00 1.19 0.00 0.00 2.53 0.00 0.00 2.69 0.00 0.00 0.00 0.00 0.30 0.85 7.81 157 C 8.06 4.18 0.00 3.21 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 0.00 158 S 8.32 4.06 0.00 4.00 3.97 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 0.00 159 M 8.31 4.23 0.00 2.39 2.43 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.73 0.00 160 I 7.78 3.77 2.09 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.07 0.90 0.00 0.00 161 E 9.15 3.89 0.00 2.15 2.16 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 2.34 2.36 0.00 162 H 8.72 4.17 0.00 3.26 3.48 0.00 5.86 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 163 I 7.84 3.50 1.79 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 1.43 0.67 0.00 0.00 164 M 8.47 4.26 0.00 1.90 2.14 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.19 0.00 165 Q 8.86 4.04 0.00 2.16 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 166 S 8.38 4.21 0.00 3.70 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 0.00 167 M 7.49 4.37 0.00 2.00 2.33 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.59 0.00 168 Q 7.56 3.49 0.00 2.05 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.19 6.70 0.00 0.00 0.00 0.00 0.00 2.23 2.24 0.00 169 F 7.83 4.62 0.00 3.19 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 0.00 170 P 0.00 4.33 0.00 2.30 2.23 0.00 3.93 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 171 A 8.69 3.99 1.36 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 0.00 172 E 8.25 3.87 0.00 2.03 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 0.00 2.42 2.40 0.00 173 L 7.96 3.93 0.00 1.78 1.86 0.87 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 174 I 7.53 3.60 2.06 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 1.47 0.76 0.91 0.00 0.00 175 E 8.12 3.96 0.00 2.19 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 0.00 2.34 2.51 0.00 176 K 7.80 3.92 0.00 1.90 1.85 0.00 1.71 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.57 7.81 177 V 7.89 3.70 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 0.96 0.00 0.00 0.77 0.00 0.00 178 C 8.49 4.40 0.00 3.01 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 0.00 179 G 7.80 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 0.00 0.00 0.00 180 T 7.63 4.32 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 1.35 0.00 0.00 181 I 7.26 3.95 2.05 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.83 0.98 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.