NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 5 N 4.6569 8.2676 119.1999 53.1689 39.3860 174.8500 6 V 3.5726 8.5193 126.5125 63.3529 31.2588 173.4002 7 E 4.4507 8.7767 120.1740 56.4462 31.4026 177.0321 8 N 4.6829 7.9811 117.0752 53.1731 39.3817 174.2855 9 E 4.8647 9.3934 122.1196 54.8089 33.6902 174.6475 10 H 5.1858 8.7400 117.9850 55.3004 30.2385 175.3528 11 V 4.5434 8.9046 115.6300 60.0316 34.1374 174.7217 12 E 5.0763 8.8160 122.2322 54.5704 32.5680 175.3197 13 V 4.5703 8.9810 124.2835 61.1283 34.3384 173.9991 14 E 5.2524 9.0394 126.4340 54.7668 32.5101 175.1924 15 I 4.7661 9.4051 125.6791 59.4208 41.0303 173.9748 16 E 4.9631 9.0223 127.5622 54.3512 31.3930 174.9178 17 K 4.5082 8.5743 125.3518 54.4079 35.9477 174.7802 18 L 4.6670 8.1086 123.6261 53.3029 43.5186 175.3851 19 Y 5.1196 8.7351 121.8064 55.8421 40.9099 177.0576 20 K 4.1297 8.5295 120.2305 59.4845 34.0093 177.2331 21 F 4.6506 7.5693 119.7980 57.1188 40.2874 175.3540 22 S 4.2548 8.8525 116.1243 57.7554 63.8479 173.3489 23 P 4.2984 0.0000 0.0000 66.0264 31.0381 178.2250 24 E 4.6160 8.2038 118.6851 58.8884 29.1265 178.9597 25 L 3.9190 7.4352 117.3290 57.6746 41.6250 179.3327 26 V 3.5994 7.7915 118.2994 65.9688 31.5073 177.4637 27 Y 3.1872 8.2354 119.6097 60.3503 38.6010 177.3576 28 E 3.8293 8.2228 120.0598 59.5118 29.4145 178.5704 29 A 4.0638 7.4412 119.0490 54.7154 18.3979 178.3094 30 W 4.6221 8.0804 115.2527 57.8804 29.6828 176.9951 31 T 4.3868 7.8505 105.3646 60.4039 69.7985 173.5266 32 K 4.4267 7.7035 122.8023 54.4673 34.1079 176.1593 33 K 3.7467 8.9255 125.9251 59.8592 31.9291 177.6528 34 D 4.6298 7.9658 114.1788 55.3315 41.5640 177.7924 35 L 4.3714 7.8365 119.7314 57.2341 42.2861 178.4759 36 L 3.4476 8.3972 119.3734 57.5130 41.2632 179.6793 37 K 3.9740 8.0935 117.7310 59.3383 32.2335 178.2656 38 Q 4.5224 8.2295 118.6618 56.4669 28.8852 176.6868 39 W 5.1408 7.5002 112.4714 56.9656 32.4728 174.9277 40 F 3.4222 7.4105 120.3263 58.0166 38.3582 174.5763 *42 T 4.2034 7.8074 112.8817 61.8519 68.0705 171.8789 43 S 4.7307 8.1371 113.9131 56.5398 66.2153 174.7430 44 A 3.9783 8.8096 123.5505 55.5841 17.9348 179.3830 45 R 4.1639 7.9449 112.8542 58.4123 30.7164 177.6107 46 T 4.2588 7.4704 105.4711 61.8776 69.7259 174.3005 47 N 4.5854 8.1485 122.2551 54.0326 39.4105 173.6600 48 K 4.4395 9.0412 125.6675 57.9189 33.3380 176.6364 49 E 4.8218 7.9162 118.0928 54.5216 34.1058 174.1122 50 I 5.1085 8.3314 122.1123 59.4540 41.1145 173.8950 51 E 4.9067 9.3886 128.4829 54.5092 32.8150 175.0122 52 A 4.9269 8.5540 124.8155 50.7831 22.3169 175.5936 53 D 4.5448 9.5385 124.6455 52.8244 40.8963 175.4537 54 V 3.4684 7.7679 126.4068 60.4982 30.2351 174.5065 55 K 4.6321 7.3287 122.0573 54.2960 36.2291 176.3030 56 E 4.2290 8.6065 119.4247 57.9159 29.5599 178.0694 57 G 4.0101 9.4773 112.5830 45.2846 0.0000 173.7458 58 G 4.3294 8.1061 107.6343 45.1435 0.0000 173.2958 59 K 5.0935 8.6696 123.8796 55.4203 34.4124 174.8151 60 Y 5.3673 8.4899 123.2408 55.2739 41.7889 174.5373 61 R 4.7512 9.6057 121.4603 55.1057 33.6249 173.5192 62 I 4.8971 9.5576 128.6776 59.4973 40.1883 174.7794 63 V 4.7116 9.0809 127.6038 61.1700 33.6025 173.5871 64 D 5.1647 9.1052 128.3657 52.0915 43.9043 174.6063 65 Q 4.1706 9.1186 128.5084 56.6132 29.5116 175.3388 66 Q 4.6853 8.5839 126.7686 53.9289 31.9711 175.6165 67 R 4.0558 8.4311 118.0825 57.0677 30.7127 176.0025 68 N 4.2985 9.6799 113.6911 54.4830 36.1566 176.0437 69 G 4.0653 8.3897 106.1807 45.3721 0.0000 174.7615 70 K 4.2195 7.6544 119.1364 56.9958 33.7324 176.3586 71 V 4.8678 8.2669 121.0025 61.2743 34.9118 174.0296 72 N 4.9623 9.1800 123.8369 51.5305 40.8642 173.7153 73 V 4.7865 8.4083 123.7095 61.2036 33.5745 174.6678 74 I 4.6723 9.2136 128.5984 59.6527 40.2855 174.4730 75 E 4.6464 8.4691 125.1484 54.8170 34.3057 175.6320 76 G 3.6854 6.3146 105.4650 46.7085 0.0000 171.8225 77 I 5.2010 8.0872 119.6507 59.6386 41.2913 175.1233 78 Y 4.2823 8.9667 124.1943 58.1669 38.2870 176.0080 79 E 4.4885 9.4440 124.5191 57.8261 31.3319 176.9736 80 S 4.8189 7.8579 113.4604 56.8018 66.1544 173.2414 81 L 5.0954 9.1573 126.7401 53.3264 43.3217 176.1807 82 V 4.1913 9.2197 123.5453 62.0344 33.2869 177.4831 *84 D 4.2010 7.8994 119.4580 53.4491 42.5269 175.6790 85 E 4.3666 7.3625 119.9200 57.6728 33.1018 174.9814 86 Y 5.2859 8.5519 118.6178 56.7483 43.2192 173.1574 87 V 4.7206 8.4995 126.8419 60.9078 34.4238 174.0120 88 K 5.2621 8.7146 129.1955 53.8680 35.0678 174.8948 *90 T 4.6565 8.2173 114.5441 61.8097 70.9364 172.6491 91 I 4.5361 8.7467 124.7967 63.0519 38.8360 173.2404 92 G 3.9232 8.7370 115.9841 43.6506 0.0000 172.3328 *94 P 4.0959 0.0000 0.0000 62.6892 31.9164 175.8510 *97 S 4.5273 8.0776 116.8212 57.5161 65.0187 174.6292 98 E 4.5079 7.7432 116.3616 54.8605 31.6876 174.7923 99 T 3.9983 8.4482 118.3903 62.0833 68.1259 172.5472 100 Q 4.6980 8.2823 123.6878 54.8513 29.7918 175.9174 101 D 4.6947 9.3668 124.6136 54.2772 42.6595 175.3057 102 V 4.7152 8.3756 120.9366 61.2270 34.3037 174.2266 103 I 4.9145 8.5217 127.8619 59.6058 40.1976 174.1860 104 E 4.9986 9.3454 126.5663 54.4347 33.0867 175.1852 105 V 4.6613 8.7202 124.5762 59.7140 34.2316 174.0929 106 E 4.8532 9.1054 126.7287 54.0947 31.8467 174.8294 107 F 5.1438 8.4079 124.8551 55.8500 41.1746 174.8525 108 F 4.9301 9.4883 123.1128 55.3204 42.0103 174.5575 109 E 4.6975 8.9628 124.3106 56.3025 30.0728 176.5977 110 R 4.4024 8.6635 126.3750 55.1219 31.5805 175.7575 111 E 4.5472 8.2233 117.8252 57.9427 31.6598 174.4928 112 T 3.6173 8.7208 117.0117 60.5292 64.3916 176.3500 113 G 3.8775 7.5119 110.0770 45.2635 0.0000 171.9357 114 G 4.3472 7.4818 105.6687 46.5083 0.0000 172.8234 115 T 5.3120 8.4730 112.7061 59.7279 71.7831 173.4699 116 Q 4.9767 9.2508 129.5454 54.2645 32.3749 173.6838 *118 L 4.5990 8.2156 118.3667 54.8303 43.3048 175.7874 119 F 5.2282 9.4365 127.5161 56.4443 41.7731 173.6010 120 Y 5.0763 8.8133 127.0570 55.8483 42.0061 173.4801 121 Y 4.8110 7.9630 126.3032 55.5958 42.8170 173.5940 122 R 4.7414 8.0930 125.8484 54.3981 33.3992 173.9742 123 S 4.8765 8.8556 120.2178 56.4884 66.3154 172.5478 124 L 4.7230 8.6547 127.1829 54.3444 42.2607 176.3389 125 V 4.0994 8.6587 124.7974 59.8422 32.9370 175.4762 126 E 4.3094 8.6539 126.5598 55.7495 30.3431 175.7633 127 K 4.0291 8.8456 128.6978 55.5255 33.1869 176.1996 128 E 3.9971 7.5831 125.0221 54.7318 30.5216 175.8564 129 R 3.7961 8.1301 119.2743 58.2859 30.2462 176.7931 130 R 3.9857 8.8433 119.8546 56.7260 27.5314 176.1811 131 F 4.8121 7.8922 117.6253 57.6734 39.3739 176.2989 132 T 4.2602 9.0961 116.9444 61.2257 70.8331 175.4171 133 N 4.4085 8.6616 118.7040 56.4281 38.4078 177.4858 134 L 3.9077 7.7745 121.1602 58.1768 42.3823 178.5613 135 E 3.6327 8.0351 118.5403 59.4158 29.2602 178.8318 136 Y 4.4655 7.8308 119.4718 60.6415 38.9302 177.8371 137 K 3.7750 8.0432 120.6040 59.6092 32.2723 178.7681 138 Q 3.9714 8.3346 118.6864 58.8070 28.6228 178.6739 139 K 4.0567 8.1276 120.6724 59.4850 32.1687 179.0974 140 K 4.0867 8.0333 118.8912 59.0515 31.8960 179.2839 141 K 3.9497 8.0844 120.0392 59.5380 32.1719 178.6815 142 E 3.9862 8.2146 118.8414 59.5802 29.1929 178.7184 143 Y 4.0722 7.9178 118.1490 60.9221 38.9836 177.1159 144 H 4.2332 8.4118 118.1010 59.6980 30.2806 176.6384 145 D 4.5510 8.4006 120.2812 57.0221 40.4599 178.6945 146 A 3.8010 7.7578 117.3318 53.0067 17.8985 179.1129 *148 V 3.9766 7.6418 120.8634 64.5062 33.5057 177.2822 149 H 4.2033 8.2789 118.9265 59.2319 29.4120 177.4707 150 G 3.2700 7.9188 106.6827 47.6273 0.0000 175.4542 151 F 3.7808 7.4393 118.7015 59.9251 39.2492 176.8997 152 E 4.1927 8.1242 118.3741 59.5067 29.3625 180.6224 153 L 3.8293 7.4380 116.3796 55.2930 41.3019 179.0762 *155 F 4.9401 8.0752 120.0453 57.5325 40.9646 176.2577 156 D 4.6524 8.1897 119.9731 55.6143 39.8729 179.0106 157 K 4.1009 7.9890 119.6687 56.8898 31.6876 177.7019 *159 Y 4.2281 8.0651 119.5216 57.3617 40.5001 176.7943 160 H 4.2028 8.0589 116.9409 58.6404 28.4625 177.9404 161 V 3.5434 7.4937 119.5170 65.9168 31.5852 177.9860 162 I 3.4048 7.1076 118.9683 64.1209 37.0687 177.5703 163 E 3.9555 7.7576 120.4064 59.4378 29.0547 178.0676 164 T 4.4227 7.5939 113.0633 63.3154 68.7960 175.3626 165 S 4.5671 7.6509 114.7920 58.3791 63.8757 174.4449 166 T 4.3766 7.4856 114.2654 62.2719 68.1294 174.6296 167 Q 4.5511 8.0502 117.4558 55.7376 31.2477 175.1050 168 Q 4.1791 7.9578 122.5631 56.0177 29.3477 174.6758 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 5 N 8.27 4.66 0.00 2.69 2.74 0.00 0.00 6.81 6.83 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 6 V 8.52 3.57 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 0.74 0.00 0.00 0.93 0.00 0.00 7 E 8.78 4.45 0.00 2.04 1.89 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 2.22 2.21 0.00 8 N 7.98 4.68 0.00 2.58 2.75 0.00 0.00 6.76 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 E 9.39 4.86 0.00 2.01 1.89 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 2.32 2.60 0.00 10 H 8.74 5.19 0.00 3.08 3.22 0.00 5.68 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 11 V 8.90 4.54 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 0.94 0.00 0.00 1.33 0.00 0.00 12 E 8.82 5.08 0.00 1.91 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 2.19 2.32 0.00 13 V 8.98 4.57 2.36 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 1.28 0.00 0.00 1.02 0.00 0.00 14 E 9.04 5.25 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.48 0.00 15 I 9.41 4.77 2.33 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.98 1.15 0.00 0.00 16 E 9.02 4.96 0.00 1.98 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 2.16 2.29 0.00 17 K 8.57 4.51 0.00 1.41 0.80 0.00 1.68 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.43 7.81 18 L 8.11 4.67 0.00 1.37 1.50 0.87 0.76 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 19 Y 8.74 5.12 0.00 3.16 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 20 K 8.53 4.13 0.00 1.72 1.96 0.00 1.35 0.00 0.00 1.69 0.00 0.00 2.30 0.00 0.00 2.62 0.00 0.00 0.00 0.00 0.86 0.81 7.81 21 F 7.57 4.65 0.00 3.07 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 22 S 8.85 4.25 0.00 4.04 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 23 P 0.00 4.30 0.00 2.18 2.24 0.00 3.67 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.27 0.00 24 E 8.20 4.62 0.00 2.22 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 2.37 2.29 0.00 25 L 7.44 3.92 0.00 1.76 1.48 0.92 1.31 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 26 V 7.79 3.60 2.13 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 1.29 0.00 0.00 1.12 0.00 0.00 27 Y 8.24 3.19 0.00 2.42 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 28 E 8.22 3.83 0.00 2.27 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 29 A 7.44 4.06 1.17 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 0.00 0.00 30 W 8.08 4.62 0.00 3.31 3.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 T 7.85 4.39 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 0.60 0.00 0.00 32 K 7.70 4.43 0.00 1.96 1.72 0.00 1.69 0.00 0.00 1.72 0.00 0.00 2.85 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.39 1.30 7.81 33 K 8.93 3.75 0.00 1.77 1.83 0.00 1.71 0.00 0.00 2.02 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.52 1.52 7.81 34 D 7.97 4.63 0.00 2.70 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 35 L 7.84 4.37 0.00 1.90 1.78 0.93 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 36 L 8.40 3.45 0.00 1.62 1.40 0.77 0.06 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 37 K 8.09 3.97 0.00 1.88 2.13 0.00 1.59 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.63 1.48 7.81 38 Q 8.23 4.52 0.00 2.38 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.58 0.00 0.00 0.00 0.00 0.00 2.35 2.52 0.00 39 W 7.50 5.14 0.00 3.42 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 40 F 7.41 3.42 0.00 1.51 2.39 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 *42 T 7.81 4.20 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 1.21 0.00 0.00 43 S 8.14 4.73 0.00 4.12 3.90 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 44 A 8.81 3.98 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 45 R 7.94 4.16 0.00 1.81 1.99 0.00 3.19 0.00 0.00 3.27 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 46 T 7.47 4.26 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 1.19 0.00 0.00 47 N 8.15 4.59 0.00 2.85 2.76 0.00 0.00 7.09 6.32 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 48 K 9.04 4.44 0.00 1.75 1.82 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.39 7.81 49 E 7.92 4.82 0.00 1.86 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 0.00 2.28 2.28 0.00 50 I 8.33 5.11 1.88 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.94 0.00 0.00 51 E 9.39 4.91 0.00 1.95 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 2.22 2.24 0.00 52 A 8.55 4.93 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 9.54 4.54 0.00 2.83 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 54 V 7.77 3.47 1.89 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 0.30 0.00 0.00 0.78 0.00 0.00 55 K 7.33 4.63 0.00 1.92 1.83 0.00 1.59 0.00 0.00 1.83 0.00 0.00 3.07 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.56 1.49 7.81 56 E 8.61 4.23 0.00 2.03 2.00 0.00 0.00 0.00 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 2.36 0.00 57 G 9.48 4.01 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 0.00 58 G 8.11 4.33 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 0.00 59 K 8.67 5.09 0.00 1.85 1.69 0.00 1.61 0.00 0.00 1.84 0.00 0.00 2.79 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.39 1.44 7.81 60 Y 8.49 5.37 0.00 3.15 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 61 R 9.61 4.75 0.00 1.77 1.78 0.00 3.08 0.00 0.00 3.16 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.64 0.00 62 I 9.56 4.90 1.98 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.97 0.91 0.00 0.00 63 V 9.08 4.71 2.17 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 0.95 0.00 0.00 0.93 0.00 0.00 64 D 9.11 5.16 0.00 2.71 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 65 Q 9.12 4.17 0.00 2.08 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.78 6.44 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 66 Q 8.58 4.69 0.00 2.06 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.90 6.71 0.00 0.00 0.00 0.00 0.00 2.28 2.43 0.00 67 R 8.43 4.06 0.00 1.86 1.84 0.00 3.26 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.64 0.00 68 N 9.68 4.30 0.00 2.80 2.85 0.00 0.00 7.01 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 69 G 8.39 4.07 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 0.00 0.00 0.00 70 K 7.65 4.22 0.00 1.88 1.94 0.00 1.24 0.00 0.00 1.56 0.00 0.00 2.81 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.62 7.81 71 V 8.27 4.87 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 0.83 0.00 0.00 0.92 0.00 0.00 72 N 9.18 4.96 0.00 2.66 2.66 0.00 0.00 6.56 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 73 V 8.41 4.79 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 0.79 0.00 0.00 0.92 0.00 0.00 74 I 9.21 4.67 1.96 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 1.20 0.76 1.08 0.00 0.00 75 E 8.47 4.65 0.00 1.73 1.55 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 0.00 2.17 2.22 0.00 76 G 6.31 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 77 I 8.09 5.20 1.88 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 1.18 0.98 0.97 0.00 0.00 78 Y 8.97 4.28 0.00 3.22 2.95 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 79 E 9.44 4.49 0.00 1.84 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 2.34 2.29 0.00 80 S 7.86 4.82 0.00 3.92 3.56 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 81 L 9.16 5.10 0.00 1.69 1.66 0.70 0.73 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 82 V 9.22 4.19 2.12 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 1.01 0.00 0.00 0.95 0.00 0.00 *84 D 7.90 4.20 0.00 2.53 2.60 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.36 4.37 0.00 1.88 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 2.16 2.08 0.00 86 Y 8.55 5.29 0.00 2.91 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 87 V 8.50 4.72 1.86 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 0.98 0.00 0.00 0.99 0.00 0.00 88 K 8.71 5.26 0.00 1.42 1.48 0.00 1.89 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.20 7.81 *90 T 8.22 4.66 4.38 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 1.27 0.00 0.00 91 I 8.75 4.54 2.16 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.40 1.10 0.00 0.00 92 G 8.74 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 *94 P 0.00 4.10 0.00 2.08 2.09 0.00 3.68 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 2.12 0.00 *97 S 8.08 4.53 0.00 3.87 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 98 E 7.74 4.51 0.00 2.02 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 2.17 2.29 0.00 99 T 8.45 4.00 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 0.00 100 Q 8.28 4.70 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.59 6.80 0.00 0.00 0.00 0.00 0.00 2.51 2.40 0.00 101 D 9.37 4.69 0.00 2.77 2.57 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 0.00 102 V 8.38 4.72 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 1.17 0.00 0.00 0.96 0.00 0.00 103 I 8.52 4.91 2.16 0.00 0.00 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 1.78 1.85 1.21 0.00 0.00 104 E 9.35 5.00 0.00 2.02 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 2.28 2.35 0.00 105 V 8.72 4.66 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 0.31 0.00 0.00 106 E 9.11 4.85 0.00 1.92 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 1.70 2.19 0.00 107 F 8.41 5.14 0.00 3.13 3.01 0.00 0.00 0.00 0.00 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0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 116 Q 9.25 4.98 0.00 2.18 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.33 0.00 0.00 0.00 0.00 0.00 2.37 2.17 0.00 *118 L 8.22 4.60 0.00 1.78 1.72 0.88 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 0.00 119 F 9.44 5.23 0.00 3.01 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 0.00 120 Y 8.81 5.08 0.00 2.94 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 0.00 121 Y 7.96 4.81 0.00 2.26 2.30 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 0.00 122 R 8.09 4.74 0.00 1.61 1.53 0.00 2.67 0.00 0.00 3.11 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.43 0.00 123 S 8.86 4.88 0.00 3.65 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 0.00 124 L 8.65 4.72 0.00 1.54 1.54 0.89 0.75 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 0.00 125 V 8.66 4.10 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 0.68 0.00 0.00 0.95 0.00 0.00 126 E 8.65 4.31 0.00 1.93 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 2.22 2.29 0.00 127 K 8.85 4.03 0.00 1.02 1.33 0.00 1.22 0.00 0.00 1.42 0.00 0.00 2.89 0.00 0.00 2.53 0.00 0.00 0.00 0.00 1.10 0.21 7.81 128 E 7.58 4.00 0.00 1.16 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.82 0.00 129 R 8.13 3.80 0.00 1.70 1.88 0.00 3.26 0.00 0.00 3.18 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 130 R 8.84 3.99 0.00 2.02 2.11 0.00 3.22 0.00 0.00 3.23 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 131 F 7.89 4.81 0.00 2.98 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 0.00 132 T 9.10 4.26 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 1.26 0.00 0.00 133 N 8.66 4.41 0.00 2.81 2.96 0.00 0.00 6.44 6.74 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 0.00 134 L 7.77 3.91 0.00 1.73 1.60 0.90 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.04 3.63 0.00 1.48 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 2.07 2.12 0.00 136 Y 7.83 4.47 0.00 3.21 3.16 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 0.00 0.00 0.00 137 K 8.04 3.78 0.00 1.85 2.04 0.00 1.67 0.00 0.00 1.64 0.00 0.00 2.92 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.44 7.81 138 Q 8.33 3.97 0.00 2.15 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.49 0.00 139 K 8.13 4.06 0.00 2.09 2.14 0.00 2.09 0.00 0.00 1.99 0.00 0.00 2.98 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.65 7.81 140 K 8.03 4.09 0.00 1.70 1.79 0.00 0.61 0.00 0.00 1.07 0.00 0.00 2.78 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.16 0.95 7.81 141 K 8.08 3.95 0.00 1.87 1.95 0.00 1.52 0.00 0.00 1.65 0.00 0.00 3.14 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.44 1.55 7.81 142 E 8.21 3.99 0.00 2.38 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.35 0.00 143 Y 7.92 4.07 0.00 3.11 3.25 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 0.00 144 H 8.41 4.23 0.00 3.33 3.58 0.00 5.81 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 145 D 8.40 4.55 0.00 2.75 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 A 7.76 3.80 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 *148 V 7.64 3.98 2.20 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 1.07 0.00 0.00 0.89 0.00 0.00 149 H 8.28 4.20 0.00 3.31 3.42 0.00 5.84 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 0.00 150 G 7.92 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 0.00 0.00 0.00 151 F 7.44 3.78 0.00 2.76 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 152 E 8.12 4.19 0.00 2.06 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 2.63 2.54 0.00 153 L 7.44 3.83 0.00 1.68 1.55 0.77 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 *155 F 8.08 4.94 0.00 3.14 3.14 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 0.00 156 D 8.19 4.65 0.00 2.98 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 0.00 157 K 7.99 4.10 0.00 2.00 1.91 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.84 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.69 1.46 7.81 *159 Y 8.07 4.23 0.00 3.16 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 0.00 160 H 8.06 4.20 0.00 3.21 3.37 0.00 5.68 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 161 V 7.49 3.54 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 0.80 0.00 0.00 1.08 0.00 0.00 162 I 7.11 3.40 0.71 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.13 -0.59 0.00 0.00 163 E 7.76 3.96 0.00 1.88 2.00 0.00 0.00 0.00 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 2.44 0.00 164 T 7.59 4.42 4.21 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 1.21 0.00 0.00 165 S 7.65 4.57 0.00 3.89 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 166 T 7.49 4.38 4.45 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 1.30 0.00 0.00 167 Q 8.05 4.55 0.00 2.05 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.60 0.00 0.00 0.00 0.00 0.00 2.27 2.42 0.00 168 Q 7.96 4.18 0.00 1.93 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.98 6.65 0.00 0.00 0.00 0.00 0.00 2.21 2.35 0.00 * Residues marked with a * may have inaccurate shift predictions.