NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 22 S 4.4613 8.3349 116.7959 58.0588 64.2275 177.0233 23 I 3.7442 8.4745 129.6992 59.9711 37.2235 174.0552 24 I 3.9476 8.3797 117.8167 60.8139 39.1872 175.1397 25 G 4.1520 8.6678 110.8102 43.7635 0.0000 173.9352 26 A 4.1798 8.4955 122.8514 53.7707 19.0664 178.4671 27 E 5.0280 7.8965 113.0639 55.4723 30.6725 177.4500 28 D 4.4335 8.2151 121.4306 57.8144 40.9346 177.9636 29 E 4.4840 8.1994 114.4384 56.9218 29.1231 176.8638 30 D 4.6662 8.2301 120.2296 54.5616 42.3446 177.7160 31 F 4.7518 7.9766 115.3838 56.7713 40.4489 173.5791 32 E 3.8074 8.4638 121.3567 57.0289 29.2408 177.7699 *46 F 4.3511 8.1424 125.6255 57.5419 39.5177 175.3327 47 Q 4.1802 7.5229 122.1712 57.0629 30.1736 177.2880 48 S 4.7844 7.4236 111.0698 56.4842 65.9384 175.0616 49 L 3.9907 8.3105 122.3952 58.2143 41.6122 178.4047 50 E 3.9600 8.2283 117.9602 59.4250 29.2844 178.7066 51 Q 4.0741 7.8110 118.3052 58.9639 28.8312 178.8812 52 V 3.7217 7.3302 118.8309 63.6742 31.3793 177.5913 53 K 4.3698 7.9245 117.3666 58.1406 32.4684 177.3988 54 R 4.4758 7.5828 116.0372 55.9685 32.3676 176.4097 55 R 4.4303 7.5382 117.8006 53.9369 30.3080 174.9517 56 P 4.2816 0.0000 0.0000 65.6558 31.7899 178.1124 57 A 4.0693 7.9193 118.4555 55.7511 18.4004 179.0171 58 H 4.3686 8.4005 114.0306 59.3192 28.7140 177.5772 59 L 4.1590 8.3354 121.9356 58.0100 41.9034 178.9253 60 M 4.1232 8.2018 118.7364 58.2670 31.7111 178.1933 61 A 4.5476 8.3045 119.0191 55.4746 18.7903 178.8025 62 L 3.5588 7.6843 118.1342 58.3054 42.1343 178.7752 63 L 3.9598 8.4260 120.4751 58.4751 40.6202 178.7281 64 Q 4.1793 9.0079 119.1784 58.6089 28.8891 177.3793 65 H 4.5379 8.4869 119.8110 58.9437 30.0466 177.2196 66 V 3.8391 7.9104 119.3690 66.1011 31.2707 177.4189 67 A 4.0045 7.8478 119.2672 55.2762 18.1959 179.1111 68 L 4.1417 7.1971 115.8907 57.1844 42.1084 178.9872 69 Q 3.8313 7.9232 116.8654 58.9810 29.5422 175.4469 70 F 4.9343 8.3194 119.9890 57.2032 40.3384 174.6836 71 E 4.6205 8.9548 126.8154 55.3015 30.8100 174.8148 72 P 4.5124 0.0000 0.0000 66.3784 31.4532 178.1902 73 G 3.7286 8.1435 103.0069 47.4084 0.0000 173.1954 74 P 4.2413 0.0000 0.0000 63.9941 32.0679 178.2738 75 L 3.9823 7.6780 118.1180 58.1168 42.1331 178.6855 76 L 3.9001 7.7132 118.9736 57.9137 41.4076 179.0510 77 C 3.0430 7.5001 118.5559 62.2632 31.4147 175.4410 78 C 4.2349 7.7040 117.8116 62.2737 27.6967 176.0732 79 L 3.7369 7.6077 120.4161 57.9650 41.2118 178.9530 80 H 4.5332 8.4986 116.0502 58.7623 28.6437 177.3775 81 A 3.9052 8.1191 122.5269 55.5045 18.0207 179.0296 82 D 4.3362 7.9187 114.7864 57.7507 41.3491 177.9877 83 M 4.1335 8.0151 117.8565 58.4934 32.2436 178.0006 84 L 4.2699 8.0173 118.5781 57.4322 42.9576 178.8996 85 G 3.8632 7.7157 105.3612 44.7752 0.0000 173.2926 *92 A 4.4449 7.7245 123.0311 51.8908 21.1612 179.3623 93 K 3.9927 8.1533 115.4036 59.3395 32.4717 178.5508 94 K 4.1452 8.0308 119.2262 59.4391 32.5178 178.2702 95 A 4.0809 8.2195 120.5702 55.5067 18.1086 179.2703 96 F 4.1538 8.5323 118.9919 61.3849 39.4804 177.4696 97 L 4.0405 8.1901 118.7566 57.8780 41.1769 179.2719 98 D 4.3845 8.0879 118.5147 56.9797 40.8313 178.1372 99 F 3.9344 7.9793 121.0738 61.4536 39.3388 176.4558 100 Y 3.8945 7.7738 118.7527 61.1169 38.4202 177.8435 101 H 3.8201 7.7627 114.6254 57.4529 28.8765 176.5044 102 S 4.3458 7.3572 113.8297 57.8917 63.8981 174.5494 103 F 5.4062 7.8847 116.9158 55.7369 40.6795 175.9031 104 L 4.4746 7.3637 117.9765 56.0111 44.2596 176.7588 105 E 3.7963 7.2772 119.0569 56.0861 29.8877 177.5873 106 K 3.8068 8.7976 125.8278 59.2001 32.2503 177.3693 107 T 4.3148 7.6046 105.4779 60.8683 69.0536 173.7373 108 A 3.9509 8.1508 126.3670 53.3379 18.0222 179.7486 109 V 3.3759 7.6554 123.1338 64.6845 32.6838 176.7514 110 L 4.8700 7.4078 120.2128 53.8120 41.1991 177.1244 111 R 4.0763 8.2906 119.5384 56.8282 30.9281 176.4608 112 V 4.6304 7.7705 117.0764 58.3965 35.6362 173.9286 113 P 4.3277 0.0000 0.0000 63.0155 30.8071 176.3407 114 V 4.3673 7.9363 116.4347 58.6215 33.1271 173.5148 115 P 4.0082 0.0000 0.0000 66.0024 31.2359 178.2499 *138 F 4.7518 7.1825 116.0603 57.2793 42.0149 177.3762 139 V 3.6905 8.0756 118.8698 66.7932 31.1704 178.4332 140 Q 4.1777 8.2033 116.0634 57.7759 28.1514 177.1742 141 E 4.4826 8.6441 119.1069 56.9337 30.4387 178.3514 142 V 3.7459 7.8096 117.6889 65.9135 30.7921 177.7154 143 V 3.7459 7.7615 117.7223 65.6941 31.2730 177.4500 144 Q 4.0100 7.6076 120.0643 59.3281 28.5833 179.6731 145 S 4.7046 7.4955 110.6939 59.0108 63.1113 174.5770 146 Q 4.5252 8.2415 122.3601 56.7611 31.0568 177.8357 147 Q 3.9180 7.4706 114.4801 59.1597 28.6398 178.9817 148 V 3.3019 7.6228 114.2962 65.2976 30.9443 177.6527 149 A 3.8185 7.9966 118.7246 55.4432 19.0737 179.9610 150 V 3.6147 7.7968 116.6394 65.6998 31.4344 178.6118 151 G 3.5033 8.6852 106.3819 47.6769 0.0000 175.9615 152 R 3.8445 7.7921 120.3283 58.9317 30.0624 178.8783 153 Q 3.2106 7.9954 117.9685 58.7455 28.7161 178.9086 154 L 4.0121 7.9613 119.8664 57.8391 41.7444 178.9500 155 E 3.9513 8.6751 119.5694 59.6130 29.4463 178.4162 156 D 4.3804 8.6407 117.9933 57.2720 41.2374 177.6563 157 F 3.7866 8.5849 121.5164 61.5169 39.3553 177.0964 158 R 3.9199 8.2714 117.3151 59.5572 29.7977 179.0264 159 S 4.0653 7.8514 114.0423 61.8228 62.8631 177.0747 160 K 3.8486 8.3281 121.2310 59.2201 31.7017 179.5339 161 R 3.6769 7.6253 120.7448 58.6917 29.7738 178.3252 162 L 4.2100 7.6285 118.6839 57.9827 42.0948 177.9703 163 M 4.3053 7.4762 116.5557 54.8059 32.1470 176.5693 164 G 3.8374 8.1201 107.3858 46.9439 0.0000 174.1981 165 M 4.3623 8.2464 117.1159 54.7135 32.3214 176.1044 166 T 4.3811 7.0701 109.5964 58.7898 71.1017 172.2911 167 P 3.8903 0.0000 0.0000 63.7373 32.4739 176.5525 168 W 4.2181 8.1780 119.2434 56.6244 26.8214 175.8393 169 E 4.1328 7.9090 119.1986 58.9814 29.7371 177.1196 170 Q 4.0247 8.1654 119.5556 59.1917 28.8130 178.0803 171 E 3.9714 8.2112 118.9656 59.4716 29.8157 178.9782 172 L 4.1088 8.0674 119.6526 57.5108 41.7875 178.9745 173 A 4.0578 7.8317 120.3292 55.4364 18.6666 179.3431 174 Q 4.1211 7.7886 114.4920 59.4355 28.7260 178.3938 175 L 4.4450 7.5445 118.9016 55.9892 42.6267 177.0180 176 E 4.1825 8.1590 126.6834 56.9836 28.4637 176.7178 *183 R 4.3192 8.1901 123.1192 55.9245 32.2749 177.3939 184 A 4.1804 7.8426 118.7981 54.6143 18.3117 179.5264 185 S 4.1742 8.0275 113.8466 61.6195 63.0166 175.9189 186 Y 3.9624 7.9825 121.8752 60.7567 38.5799 177.5474 187 E 4.0787 8.4560 119.1645 59.1079 29.5646 179.3731 188 A 3.9624 7.7378 120.7243 55.2014 18.5142 179.8620 189 R 3.8754 7.9887 116.7140 59.3020 30.0841 179.0529 190 E 3.7612 8.1733 118.7773 59.4778 29.3923 179.7697 191 R 3.8536 7.6486 117.8724 59.5079 30.0096 178.6808 192 H 4.0694 7.8504 115.5443 58.9284 28.6811 178.0746 193 V 3.4805 7.9430 119.6998 65.9221 31.3791 177.9717 194 A 3.8524 7.9731 120.5304 54.8539 18.1216 179.1427 195 E 3.7808 8.4331 118.3859 59.4670 29.7676 179.0731 196 R 3.7383 7.5595 118.6947 59.4803 30.0300 178.4778 197 L 3.4728 7.5722 118.3607 56.8308 41.4602 179.2012 198 L 3.9763 7.7556 120.9765 58.0918 41.9304 178.5150 199 M 4.1839 7.9323 118.2356 59.1187 31.9878 177.9940 200 H 4.3597 7.8358 114.5940 58.5325 28.7955 177.4252 201 L 4.2803 7.8340 122.5310 58.4203 41.8294 178.9330 202 E 4.0458 7.9251 116.6613 59.3797 29.4738 178.9585 203 E 4.2236 8.4251 117.9243 58.5466 30.7943 177.3745 204 M 4.6791 7.5912 117.3197 53.7803 32.9499 174.8425 205 Q 4.3383 7.6591 117.2440 57.0716 30.4203 178.1026 206 H 4.5205 7.9764 110.9835 56.8900 27.9263 175.5712 207 T 4.5977 7.4087 113.5742 63.5105 69.9763 174.9033 208 I 3.8834 8.4659 123.5501 63.9042 37.4179 176.1384 209 S 4.5437 7.2714 110.3710 57.6086 64.7154 175.6750 210 T 3.9415 8.6642 120.4604 64.7832 67.7519 174.9123 211 D 4.5702 7.8988 120.9605 53.5408 42.7201 175.9806 212 E 4.0005 8.7122 128.4612 59.1441 29.6844 178.9749 213 E 3.7271 8.3852 117.8293 59.6542 29.5413 179.7018 214 K 3.9292 7.8378 118.4231 59.6227 32.2174 179.1940 215 S 4.1589 8.0214 114.1444 61.3664 62.9099 176.2405 216 A 3.9999 8.9571 125.0538 54.7629 18.2030 179.3898 217 A 4.0169 8.2487 119.1172 54.5342 18.2873 180.0365 218 V 3.6442 7.6011 117.1843 65.8082 31.0212 178.2790 219 V 3.6143 7.8161 117.9039 66.1530 31.3876 177.4862 220 N 4.6089 8.1043 115.8325 56.5941 38.3057 177.2965 221 A 4.2516 7.9477 121.4141 55.0295 18.4248 179.8846 222 I 3.8807 8.2307 118.9260 64.5378 37.3019 178.6344 223 G 3.7584 9.5090 106.8083 48.0345 0.0000 175.3168 224 L 4.0262 8.2440 122.0159 57.9315 42.1918 178.1139 225 Y 4.1693 8.0426 119.5161 60.6901 38.7110 177.3857 226 M 4.0557 8.2585 119.8395 58.1495 31.9271 178.4638 227 R 4.0062 7.9880 120.3151 59.1954 30.0079 178.0770 228 H 4.0084 7.6353 116.4639 58.3159 29.7654 176.1209 229 L 4.4797 7.3706 118.2112 53.7698 41.8495 176.3442 230 G 3.6930 8.0991 106.9669 46.3411 0.0000 173.8445 231 V 4.2447 8.4091 120.4169 60.6789 32.8643 174.7418 232 R 4.6261 8.2154 124.8384 54.8251 34.1358 175.5050 233 T 4.1631 8.3714 114.9165 63.8687 68.6838 174.9949 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 22 S 8.33 4.46 0.00 3.88 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 23 I 8.47 3.74 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 1.47 0.58 0.91 0.00 0.00 24 I 8.38 3.95 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.53 0.92 0.00 0.00 25 G 8.67 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 0.00 0.00 0.00 26 A 8.50 4.18 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.90 5.03 0.00 2.14 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 2.36 2.30 0.00 28 D 8.22 4.43 0.00 2.74 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 29 E 8.20 4.48 0.00 1.96 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 2.32 2.34 0.00 30 D 8.23 4.67 0.00 3.01 2.23 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 31 F 7.98 4.75 0.00 2.94 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 32 E 8.46 3.81 0.00 1.97 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 2.36 2.55 0.00 *46 F 8.14 4.35 0.00 3.23 3.17 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 0.00 47 Q 7.52 4.18 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.84 0.00 0.00 0.00 0.00 0.00 2.40 2.31 0.00 48 S 7.42 4.78 0.00 3.98 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 49 L 8.31 3.99 0.00 1.68 1.68 0.88 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 50 E 8.23 3.96 0.00 1.99 1.98 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 2.31 2.42 0.00 51 Q 7.81 4.07 0.00 2.21 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.59 0.00 0.00 0.00 0.00 0.00 2.33 2.33 0.00 52 V 7.33 3.72 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.97 0.00 0.00 53 K 7.92 4.37 0.00 1.97 2.07 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.67 1.49 7.81 54 R 7.58 4.48 0.00 1.84 2.00 0.00 3.16 0.00 0.00 3.24 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 55 R 7.54 4.43 0.00 1.75 2.11 0.00 3.29 0.00 0.00 3.38 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.63 0.00 56 P 0.00 4.28 0.00 2.00 2.13 0.00 3.71 0.00 0.00 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.18 0.00 57 A 7.92 4.07 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 58 H 8.40 4.37 0.00 3.18 3.14 0.00 5.82 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.34 4.16 0.00 2.17 1.97 0.92 0.99 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 60 M 8.20 4.12 0.00 1.98 2.19 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.85 0.00 61 A 8.30 4.55 1.70 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 62 L 7.68 3.56 0.00 1.29 1.81 0.56 0.95 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 63 L 8.43 3.96 0.00 2.11 1.87 0.92 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 64 Q 9.01 4.18 0.00 2.60 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.56 0.00 0.00 0.00 0.00 0.00 1.54 2.18 0.00 65 H 8.49 4.54 0.00 3.65 3.71 0.00 5.84 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 V 7.91 3.84 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 1.28 0.00 0.00 1.12 0.00 0.00 67 A 7.85 4.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 7.20 4.14 0.00 1.65 1.63 0.82 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 7.92 3.83 0.00 1.60 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.60 0.00 0.00 0.00 0.00 0.00 2.10 1.93 0.00 70 F 8.32 4.93 0.00 2.96 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 71 E 8.95 4.62 0.00 1.99 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 2.29 2.24 0.00 72 P 0.00 4.51 0.00 2.29 2.34 0.00 3.76 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.05 0.00 73 G 8.14 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 0.00 0.00 0.00 74 P 0.00 4.24 0.00 1.94 2.29 0.00 3.89 0.00 0.00 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 75 L 7.68 3.98 0.00 1.83 1.59 0.83 0.60 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 76 L 7.71 3.90 0.00 1.83 1.80 1.00 0.89 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 77 C 7.50 3.04 0.00 1.71 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 78 C 7.70 4.23 0.00 3.08 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 L 7.61 3.74 0.00 1.51 0.32 0.61 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 80 H 8.50 4.53 0.00 3.73 3.75 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 A 8.12 3.91 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 82 D 7.92 4.34 0.00 2.89 2.83 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 83 M 8.02 4.13 0.00 2.33 2.42 0.00 0.00 0.00 0.00 0.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.63 0.00 84 L 8.02 4.27 0.00 1.93 1.73 1.06 0.98 0.00 0.00 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 1.20 0.00 0.00 108 A 8.15 3.95 1.13 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 0.00 0.00 109 V 7.66 3.38 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 0.80 0.00 0.00 0.88 0.00 0.00 110 L 7.41 4.87 0.00 2.03 1.88 1.09 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 111 R 8.29 4.08 0.00 2.00 1.82 0.00 3.31 0.00 0.00 3.21 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.76 0.00 112 V 7.77 4.63 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 0.57 0.00 0.00 0.94 0.00 0.00 113 P 0.00 4.33 0.00 2.18 2.09 0.00 3.70 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.96 0.00 114 V 7.94 4.37 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 1.00 0.00 0.00 115 P 0.00 4.01 0.00 2.08 2.00 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 2.15 0.00 *138 F 7.18 4.75 0.00 3.21 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 V 8.08 3.69 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 0.94 0.00 0.00 0.91 0.00 0.00 140 Q 8.20 4.18 0.00 2.11 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.47 0.00 0.00 0.00 0.00 0.00 2.46 2.39 0.00 141 E 8.64 4.48 0.00 2.07 1.98 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 2.22 2.26 0.00 142 V 7.81 3.75 2.31 0.00 0.00 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 1.23 0.00 0.00 143 V 7.76 3.75 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 0.94 0.00 0.00 1.07 0.00 0.00 144 Q 7.61 4.01 0.00 2.47 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.88 0.00 0.00 0.00 0.00 0.00 2.37 2.54 0.00 145 S 7.50 4.70 0.00 4.11 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 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7.94 3.48 1.98 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 0.89 0.00 0.00 0.91 0.00 0.00 194 A 7.97 3.85 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 195 E 8.43 3.78 0.00 2.22 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 2.45 2.21 0.00 196 R 7.56 3.74 0.00 1.91 1.92 0.00 3.10 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 197 L 7.57 3.47 0.00 1.06 0.13 0.34 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 198 L 7.76 3.98 0.00 1.80 1.80 0.97 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 199 M 7.93 4.18 0.00 2.14 1.98 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.71 0.00 200 H 7.84 4.36 0.00 3.65 3.68 0.00 5.71 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 201 L 7.83 4.28 0.00 2.06 2.02 1.10 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 202 E 7.93 4.05 0.00 2.05 2.03 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 2.38 2.60 0.00 203 E 8.43 4.22 0.00 2.02 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 2.39 2.54 0.00 204 M 7.59 4.68 0.00 1.86 1.95 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.57 2.50 0.00 205 Q 7.66 4.34 0.00 2.28 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.92 7.09 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 206 H 7.98 4.52 0.00 3.25 3.47 0.00 5.66 0.00 0.00 0.00 0.00 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 207 T 7.41 4.60 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 1.19 0.00 0.00 208 I 8.47 3.88 1.92 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.55 0.93 0.00 0.00 209 S 7.27 4.54 0.00 3.76 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 0.00 210 T 8.66 3.94 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 0.00 211 D 7.90 4.57 0.00 2.82 2.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 212 E 8.71 4.00 0.00 2.05 1.98 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 2.41 2.27 0.00 213 E 8.39 3.73 0.00 2.13 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 2.40 2.39 0.00 214 K 7.84 3.93 0.00 2.08 1.97 0.00 1.63 0.00 0.00 1.70 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.45 7.81 215 S 8.02 4.16 0.00 4.39 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 0.00 216 A 8.96 4.00 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 0.00 217 A 8.25 4.02 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 218 V 7.60 3.64 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 1.13 0.00 0.00 0.98 0.00 0.00 219 V 7.82 3.61 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 1.01 0.00 0.00 0.99 0.00 0.00 220 N 8.10 4.61 0.00 3.01 2.87 0.00 0.00 6.98 7.73 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 0.00 221 A 7.95 4.25 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 0.00 222 I 8.23 3.88 2.16 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 1.54 0.77 1.01 0.00 0.00 223 G 9.51 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 0.00 224 L 8.24 4.03 0.00 1.69 1.97 0.92 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 225 Y 8.04 4.17 0.00 3.23 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 0.00 226 M 8.26 4.06 0.00 2.16 2.13 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.68 2.94 0.00 227 R 7.99 4.01 0.00 1.98 2.08 0.00 3.13 0.00 0.00 3.18 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.49 0.00 228 H 7.64 4.01 0.00 2.99 3.12 0.00 5.79 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 229 L 7.37 4.48 0.00 1.69 1.62 1.12 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 230 G 8.10 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 0.00 231 V 8.41 4.24 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 0.97 0.00 0.00 0.89 0.00 0.00 232 R 8.22 4.63 0.00 1.75 1.74 0.00 3.22 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.58 0.00 233 T 8.37 4.16 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 1.22 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.