NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.7796 8.4449 117.8381 56.2403 29.9919 172.9516 1D H 4.5325 8.7288 119.3165 55.8749 29.5368 173.1356 1E H 5.1050 7.5809 115.4852 53.5704 33.4979 172.0031 1F H 4.6246 8.9301 117.0301 56.0277 28.8924 174.3766 1G F 4.8631 8.4459 119.1581 57.8511 39.9964 174.0261 2 N 4.6057 8.5630 117.1254 52.4047 38.9551 174.4137 3 L 4.7764 8.0806 123.2696 52.0039 44.0939 174.6431 4 P 4.6265 0.0000 0.0000 61.5560 33.0807 175.8764 5 P 4.4883 0.0000 0.0000 61.2129 30.8002 176.5287 6 G 3.8820 8.7182 110.2269 44.9750 0.0000 170.6169 7 N 4.2326 7.8871 113.0065 52.1438 39.3104 174.3271 8 Y 4.8496 8.0512 117.9801 58.2746 38.7092 176.6407 9 K 4.1094 8.6320 122.2977 58.7022 32.2542 177.1434 10 K 4.7364 7.5894 115.2432 53.2639 35.6734 173.7441 11 P 4.7224 0.0000 0.0000 63.2257 32.3163 175.2155 12 K 4.8896 9.5389 119.8221 55.2338 37.4651 174.9707 13 L 5.0398 9.1119 121.5065 53.3910 44.3841 176.1896 14 L 5.0641 8.5895 122.7774 53.4483 43.3113 174.4650 15 Y 4.9412 9.3671 127.0755 56.8373 40.5168 173.5933 16 C 4.2897 8.7540 128.0215 56.6016 32.3403 174.5950 17 S 3.8350 8.2976 121.8361 60.7857 62.9878 175.0984 18 N 4.1711 7.8947 119.3813 56.1673 38.5212 175.4534 19 G 3.8996 7.6843 102.7734 44.4482 0.0000 172.5834 20 G 3.3514 7.8178 107.3723 44.8717 0.0000 173.1557 21 H 4.9024 7.3985 114.3634 53.5437 32.7670 173.8383 22 F 5.2721 8.8994 120.0429 55.9873 40.8906 175.2788 23 L 4.6037 8.9410 125.8281 55.2928 43.2522 175.6110 24 R 4.9177 9.4709 126.1315 54.5955 33.6963 173.9267 25 I 4.8501 8.2418 126.5897 59.4147 38.9424 175.7107 26 L 4.1068 8.8554 128.2021 53.4539 42.3206 176.7246 27 P 4.2223 0.0000 0.0000 65.9807 31.2859 177.1581 28 D 4.5711 7.9966 114.3002 53.4655 39.5183 177.1673 29 G 4.1375 8.6314 109.8872 45.5229 0.0000 174.2211 30 T 4.3308 8.3329 117.4619 63.4199 69.0597 173.4838 31 V 4.8625 8.0202 123.9320 61.2100 34.6127 174.4631 32 D 4.5750 8.6294 125.7559 52.9856 42.7017 174.1439 33 G 4.5429 8.5917 104.7548 45.4437 0.0000 172.3848 34 T 4.9721 8.8817 114.7991 60.5736 71.1975 174.4697 35 R 4.2759 8.8009 124.3683 56.2829 30.7527 176.4250 36 D 4.6921 8.2142 119.8334 52.9941 40.0668 176.9402 37 R 3.6622 8.6056 126.7317 58.4833 30.2381 178.3494 38 S 4.2795 8.4834 111.6051 59.0873 63.6139 174.2049 39 D 4.3324 7.8491 121.7762 55.1505 41.0992 176.1191 40 Q 4.2676 8.5794 123.7271 57.1884 29.3553 175.9237 41 H 4.8694 9.2129 115.9053 55.4527 28.9981 175.5341 42 I 4.5438 7.1240 111.1740 59.9828 38.5429 175.4953 43 Q 4.2259 7.8510 122.0134 55.7981 29.5700 174.8055 44 L 5.2399 9.0137 124.5557 52.7734 45.6551 175.3059 45 Q 4.8549 9.2197 123.7644 54.4286 31.2009 174.2811 46 L 5.2867 8.6472 126.3607 53.5163 43.9821 175.9935 47 S 4.4811 8.5094 114.9220 56.7418 66.8833 172.4259 48 A 4.4684 8.1397 123.2052 50.8629 19.8613 176.0483 49 E 4.1414 8.8803 124.1030 56.6077 30.6074 176.7533 50 S 4.8149 7.7391 112.1853 55.7878 66.2175 173.9657 51 V 3.7947 8.2637 121.3874 64.8235 31.5655 176.4225 52 G 3.9626 9.1699 114.5227 45.3693 0.0000 171.9337 53 E 5.2169 8.3574 120.1659 54.7146 32.0675 175.6079 54 V 4.8774 9.0101 116.1376 60.0401 36.9807 173.7758 55 Y 5.3202 8.7146 119.3980 56.5370 41.3699 175.3642 56 I 4.4728 8.5411 122.0316 59.7270 40.5603 174.3283 57 K 4.8681 8.7480 127.1704 54.0392 35.4730 175.9004 58 S 4.4669 8.8670 120.2275 58.5550 62.6266 175.0674 59 T 3.8751 8.6187 118.5506 64.6098 68.8018 175.9490 60 E 4.0545 8.3720 122.6134 58.5143 29.8469 177.0603 61 T 4.3320 8.0249 105.8580 60.7726 70.0231 175.4304 62 G 3.8605 8.2044 110.2884 45.3440 0.0000 173.8638 63 Q 4.4683 7.5898 118.9455 56.1201 30.3320 174.5751 64 Y 4.8130 9.0805 119.8151 56.0625 40.4025 175.2613 65 L 4.3885 9.0954 126.1432 55.4764 43.5510 175.5517 66 A 5.1422 8.6695 125.5227 50.8306 23.1905 174.4376 67 M 5.4135 8.5990 119.7522 53.8974 34.7023 175.7732 68 D 5.3777 9.4276 126.0699 51.7215 41.3193 176.8430 69 T 4.0202 8.6037 112.8027 64.8219 67.1929 174.0580 70 D 4.8212 8.5036 118.8106 53.9265 41.2973 176.8465 71 G 3.3476 8.5252 107.4839 45.3572 0.0000 173.0526 72 L 4.7060 8.2552 120.4238 53.4478 43.1699 176.3352 73 L 5.0824 8.5706 123.5588 55.0989 42.8231 175.5602 74 Y 4.9871 9.1369 119.7565 55.9997 42.0920 173.5844 75 G 4.2430 8.8294 108.3304 45.3088 0.0000 173.1832 76 S 5.0964 9.1228 121.4212 56.8146 64.0182 175.2791 77 Q 4.4859 9.0002 125.1953 58.0890 29.0006 176.1091 78 T 4.6286 7.3157 105.7460 58.6088 71.8539 171.6827 79 P 3.6192 0.0000 0.0000 61.9859 31.7577 174.9486 80 N 5.1081 8.0271 120.8055 50.4804 40.1527 174.5033 81 E 4.0642 8.6662 114.7319 58.7583 29.9718 177.3114 82 E 4.1788 8.6996 119.3002 57.4641 29.8610 177.5586 83 T 4.9405 7.6676 107.6956 60.9773 69.8778 174.4702 84 L 4.5065 7.3046 123.4953 53.7733 43.5293 175.5316 85 F 5.2394 9.0408 121.4926 55.5876 43.5505 174.3592 86 L 4.8749 9.2164 122.5817 53.7324 42.6472 175.4029 87 E 4.5356 8.8056 126.7009 55.2273 30.3601 175.7045 88 R 4.8030 8.5852 125.2241 54.0482 34.8705 174.5384 89 L 4.7170 8.5794 123.5197 55.2502 43.0715 175.7920 90 E 4.7299 9.1961 124.6702 55.2113 33.7062 174.7497 91 E 4.0157 9.7732 122.9883 58.0057 27.3440 174.4217 92 N 4.3258 8.4848 109.8881 54.1055 36.6828 174.0240 93 H 4.8399 8.5807 117.0308 57.6190 37.4015 173.5327 94 Y 4.6593 7.8353 116.1454 57.5156 40.0636 173.6367 95 N 5.5226 9.6722 118.2758 51.9291 41.1473 174.5908 96 T 5.2708 8.9140 113.0373 60.1337 72.9173 172.5796 97 Y 5.0221 8.6378 119.0376 56.6088 41.6371 174.2040 98 I 4.6176 8.5693 125.8153 59.1586 39.6802 175.4290 99 S 3.9551 8.8470 122.3328 58.4899 62.3912 174.0826 100 K 3.9677 8.6145 129.1730 59.3314 32.2948 178.7119 101 K 3.7762 7.8972 118.3294 59.0208 32.2884 176.6869 102 H 4.7921 8.1809 114.7740 54.0963 29.4983 176.3094 103 A 3.9633 7.7960 125.6785 55.2163 18.5368 180.8047 104 E 3.7244 7.9336 113.0706 58.4736 29.7986 178.1631 105 K 4.2792 7.5937 117.2808 55.4044 32.6878 175.8146 106 N 3.9575 7.5736 115.6816 53.9751 36.5581 174.6042 107 W 5.0252 7.7370 117.3865 55.8850 30.9866 177.2157 108 F 5.4569 9.2879 123.8686 55.4770 41.6239 175.4758 109 V 4.0230 9.0000 121.5643 62.9596 32.6008 175.2181 110 G 4.5177 8.6011 112.6782 45.2630 0.0000 171.4789 111 L 5.3118 8.4436 121.7405 52.5277 45.1563 177.0688 112 K 4.3114 9.1153 123.0382 55.2752 33.0711 178.2481 113 K 3.8392 8.5027 119.7787 59.5780 31.9159 177.9013 114 N 4.5713 8.0651 113.4234 52.7542 37.6542 175.8808 115 G 3.5140 8.2731 108.6355 45.2834 0.0000 173.7053 116 S 4.7332 8.0176 114.7473 57.1839 64.4546 173.5648 117 C 4.7700 8.2701 119.5800 59.8526 28.7433 173.4119 118 K 4.3394 8.7518 121.8823 55.7903 32.9907 176.7581 119 R 4.0562 8.5503 123.8784 55.8807 31.2738 177.1095 120 G 3.2601 8.8952 116.0144 48.2674 0.0000 174.1616 121 P 4.2025 0.0000 0.0000 64.4440 31.3988 177.6083 122 R 4.2463 7.8539 115.5502 56.6440 30.3787 176.3431 123 T 5.0841 7.5784 108.2909 59.7906 70.5042 173.2773 124 H 4.7408 7.7951 115.1892 55.0604 30.4018 173.2073 125 Y 3.8845 8.8031 118.2754 59.7637 38.0878 177.3445 126 G 4.0097 8.9906 111.2545 45.4013 0.0000 173.8748 127 Q 4.2360 7.2656 118.2311 55.1538 29.8395 177.1404 128 K 3.8056 8.2891 118.9373 58.8357 32.8038 179.5069 129 A 3.9667 8.0229 121.1417 54.0643 18.3323 178.4734 130 I 4.3318 7.1532 105.8699 60.5959 37.9424 175.2934 131 L 4.3388 7.2962 123.3512 53.9263 42.6728 175.7513 132 F 5.1921 9.3281 122.5825 55.5733 43.1529 174.2982 133 L 5.2912 9.1778 121.2352 52.3305 44.8287 174.0157 134 P 5.0616 0.0000 0.0000 62.6339 32.2657 175.5985 135 L 4.9404 9.1362 124.6459 51.8548 45.0027 174.4494 136 P 4.5992 0.0000 0.0000 62.5882 32.2914 177.0185 137 V 3.7311 8.1841 114.6786 61.7850 31.5877 176.2931 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 1C H 8.44 4.78 0.00 3.10 3.47 0.00 5.67 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.73 4.53 0.00 3.17 3.20 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.58 5.11 0.00 3.15 3.32 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.93 4.62 0.00 3.34 3.41 0.00 5.66 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 1G F 8.45 4.86 0.00 2.94 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 2 N 8.56 4.61 0.00 2.95 2.79 0.00 0.00 6.87 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 3 L 8.08 4.78 0.00 1.48 1.42 0.65 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.63 0.00 2.16 2.09 0.00 3.69 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 1.96 1.91 0.00 5 P 0.00 4.49 0.00 2.17 1.93 0.00 3.89 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 1.95 1.93 0.00 6 G 8.72 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 0.00 0.00 0.00 7 N 7.89 4.23 0.00 2.58 2.63 0.00 0.00 5.82 7.55 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 8 Y 8.05 4.85 0.00 3.03 3.24 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 9 K 8.63 4.11 0.00 1.85 1.90 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.51 7.81 10 K 7.59 4.74 0.00 1.68 1.67 0.00 1.64 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.32 1.45 7.81 11 P 0.00 4.72 0.00 2.05 2.04 0.00 3.73 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.98 0.00 12 K 9.54 4.89 0.00 1.62 1.83 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.56 1.62 7.81 13 L 9.11 5.04 0.00 1.63 1.61 0.40 0.61 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 14 L 8.59 5.06 0.00 1.50 1.48 0.31 0.83 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 15 Y 9.37 4.94 0.00 3.30 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 16 C 8.75 4.29 0.00 2.57 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 17 S 8.30 3.84 0.00 3.98 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 N 7.89 4.17 0.00 2.51 2.66 0.00 0.00 6.75 7.98 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 19 G 7.68 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 0.00 0.00 0.00 20 G 7.82 3.35 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 21 H 7.40 4.90 0.00 3.00 3.22 0.00 5.80 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 8.90 5.27 0.00 3.05 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 23 L 8.94 4.60 0.00 1.78 1.49 0.92 0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 24 R 9.47 4.92 0.00 1.90 2.05 0.00 3.29 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.79 0.00 25 I 8.24 4.85 1.85 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.90 0.00 0.00 26 L 8.86 4.11 0.00 1.86 1.52 0.92 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.22 0.00 1.99 2.12 0.00 3.52 0.00 0.00 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.95 0.00 28 D 8.00 4.57 0.00 2.79 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 29 G 8.63 4.14 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 0.00 0.00 0.00 30 T 8.33 4.33 4.31 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 1.22 0.00 0.00 31 V 8.02 4.86 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 0.88 0.00 0.00 0.98 0.00 0.00 32 D 8.63 4.58 0.00 2.86 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 33 G 8.59 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.88 4.97 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 1.37 0.00 0.00 35 R 8.80 4.28 0.00 1.88 1.98 0.00 3.20 0.00 0.00 3.07 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 36 D 8.21 4.69 0.00 2.84 2.66 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 0.00 0.00 0.00 0.00 37 R 8.61 3.66 0.00 1.84 1.87 0.00 3.26 0.00 0.00 3.27 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.80 0.00 38 S 8.48 4.28 0.00 3.93 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 39 D 7.85 4.33 0.00 2.77 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 40 Q 8.58 4.27 0.00 1.87 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 7.07 0.00 0.00 0.00 0.00 0.00 2.29 2.26 0.00 41 H 9.21 4.87 0.00 3.32 3.49 0.00 5.78 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.12 4.54 1.91 0.00 0.00 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.91 1.05 0.00 0.00 43 Q 7.85 4.23 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.87 0.00 0.00 0.00 0.00 0.00 2.39 2.38 0.00 44 L 9.01 5.24 0.00 1.58 1.43 0.80 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 45 Q 9.22 4.85 0.00 2.05 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.77 0.00 0.00 0.00 0.00 0.00 2.22 2.33 0.00 46 L 8.65 5.29 0.00 1.78 1.58 0.89 1.06 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 47 S 8.51 4.48 0.00 3.90 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 48 A 8.14 4.47 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.88 4.14 0.00 1.61 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 2.28 0.00 50 S 7.74 4.81 0.00 4.16 3.77 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 51 V 8.26 3.79 2.32 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 0.95 0.00 0.00 1.03 0.00 0.00 52 G 9.17 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 0.00 0.00 0.00 53 E 8.36 5.22 0.00 2.04 1.71 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 2.21 2.28 0.00 54 V 9.01 4.88 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 0.70 0.00 0.00 1.22 0.00 0.00 55 Y 8.71 5.32 0.00 2.97 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 56 I 8.54 4.47 1.70 0.00 0.00 -0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.56 0.66 0.00 0.00 57 K 8.75 4.87 0.00 1.43 1.28 0.00 1.09 0.00 0.00 1.28 0.00 0.00 2.37 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.38 1.10 7.81 58 S 8.87 4.47 0.00 3.83 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 59 T 8.62 3.88 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 1.21 0.00 0.00 60 E 8.37 4.05 0.00 2.00 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 2.19 2.38 0.00 61 T 8.02 4.33 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 1.24 0.00 0.00 62 G 8.20 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 0.00 0.00 0.00 63 Q 7.59 4.47 0.00 1.97 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 6.74 0.00 0.00 0.00 0.00 0.00 2.54 2.35 0.00 64 Y 9.08 4.81 0.00 2.81 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.10 4.39 0.00 1.59 1.48 0.79 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.67 5.14 0.46 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 67 M 8.60 5.41 0.00 2.28 2.28 0.00 0.00 0.00 0.00 0.00 2.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.71 0.00 68 D 9.43 5.38 0.00 2.91 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 69 T 8.60 4.02 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 1.27 0.00 0.00 70 D 8.50 4.82 0.00 2.69 2.61 0.00 0.00 0.00 0.00 0.00 0.00 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 G 8.53 3.35 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 72 L 8.26 4.71 0.00 1.97 1.63 0.90 0.87 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 73 L 8.57 5.08 0.00 1.57 1.62 0.90 0.97 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 74 Y 9.14 4.99 0.00 2.97 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 75 G 8.83 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 76 S 9.12 5.10 0.00 3.72 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 77 Q 9.00 4.49 0.00 2.14 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.43 2.34 0.00 78 T 7.32 4.63 4.14 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 1.21 0.00 0.00 79 P 0.00 3.62 0.00 1.72 0.74 0.00 3.46 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.61 0.00 80 N 8.03 5.11 0.00 2.92 2.93 0.00 0.00 6.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.67 4.06 0.00 2.02 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 0.00 2.25 2.23 0.00 82 E 8.70 4.18 0.00 2.29 2.33 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 2.37 2.31 0.00 83 T 7.67 4.94 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 1.19 0.00 0.00 84 L 7.30 4.51 0.00 1.39 1.37 0.79 0.25 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 85 F 9.04 5.24 0.00 3.05 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 86 L 9.22 4.87 0.00 1.51 1.60 0.88 1.04 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 87 E 8.81 4.54 0.00 2.17 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 2.16 1.84 0.00 88 R 8.59 4.80 0.00 1.77 1.80 0.00 3.15 0.00 0.00 2.88 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.61 0.00 89 L 8.58 4.72 0.00 1.75 1.60 0.97 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 90 E 9.20 4.73 0.00 2.21 1.85 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 2.28 2.42 0.00 91 E 9.77 4.02 0.00 2.40 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 0.00 2.30 2.40 0.00 92 N 8.48 4.33 0.00 2.84 2.89 0.00 0.00 6.88 8.16 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 93 H 8.58 4.84 0.00 2.85 2.96 0.00 5.94 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 94 Y 7.84 4.66 0.00 3.05 3.03 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 95 N 9.67 5.52 0.00 3.04 2.66 0.00 0.00 6.95 6.95 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 96 T 8.91 5.27 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 97 Y 8.64 5.02 0.00 2.81 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 98 I 8.57 4.62 1.68 0.00 0.00 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.27 0.59 0.59 0.00 0.00 99 S 8.85 3.96 0.00 4.06 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 0.00 100 K 8.61 3.97 0.00 1.68 1.59 0.00 1.60 0.00 0.00 1.46 0.00 0.00 2.79 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.34 1.30 7.81 101 K 7.90 3.78 0.00 1.73 1.64 0.00 1.49 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.70 0.00 0.00 0.00 0.00 1.24 0.99 7.81 102 H 8.18 4.79 0.00 2.98 2.17 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.80 3.96 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 0.00 104 E 7.93 3.72 0.00 1.82 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 105 K 7.59 4.28 0.00 0.92 1.47 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.21 1.02 7.81 106 N 7.57 3.96 0.00 3.04 3.08 0.00 0.00 6.89 7.84 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 0.00 107 W 7.74 5.03 0.00 3.28 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 0.00 108 F 9.29 5.46 0.00 2.83 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 0.00 109 V 9.00 4.02 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 0.64 0.00 0.00 0.55 0.00 0.00 110 G 8.60 4.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 8.44 5.31 0.00 1.50 1.46 1.05 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.12 4.31 0.00 1.92 1.67 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.39 1.35 7.81 113 K 8.50 3.84 0.00 1.70 1.85 0.00 1.70 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.61 1.37 7.81 114 N 8.07 4.57 0.00 2.79 2.89 0.00 0.00 6.18 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 0.00 115 G 8.27 3.51 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 0.00 0.00 0.00 116 S 8.02 4.73 0.00 4.00 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 0.00 117 C 8.27 4.77 0.00 2.88 2.91 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 0.00 118 K 8.75 4.34 0.00 1.57 1.68 0.00 1.61 0.00 0.00 1.55 0.00 0.00 2.98 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.39 1.33 7.81 119 R 8.55 4.06 0.00 1.79 1.62 0.00 3.21 0.00 0.00 3.24 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.48 0.00 120 G 8.90 3.26 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 0.00 0.00 0.00 0.00 121 P 0.00 4.20 0.00 1.90 2.18 0.00 2.98 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.86 0.00 122 R 7.85 4.25 0.00 1.83 1.92 0.00 3.29 0.00 0.00 3.24 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.65 0.00 123 T 7.58 5.08 4.30 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 1.23 0.00 0.00 124 H 7.80 4.74 0.00 3.39 3.53 0.00 5.47 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.80 3.88 0.00 3.15 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 0.00 126 G 8.99 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 0.00 127 Q 7.27 4.24 0.00 1.87 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.83 6.75 0.00 0.00 0.00 0.00 0.00 2.18 2.08 0.00 128 K 8.29 3.81 0.00 1.74 1.64 0.00 1.54 0.00 0.00 1.65 0.00 0.00 2.82 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.41 1.27 7.81 129 A 8.02 3.97 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 0.00 0.00 0.00 0.00 0.00 130 I 7.15 4.33 1.63 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.45 0.00 0.00 131 L 7.30 4.34 0.00 1.06 0.63 0.31 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 132 F 9.33 5.19 0.00 3.44 3.13 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 0.00 133 L 9.18 5.29 0.00 1.88 1.69 1.08 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 134 P 0.00 5.06 0.00 2.16 2.21 0.00 3.82 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 135 L 9.14 4.94 0.00 1.63 1.61 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.60 0.00 1.92 1.97 0.00 3.67 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 2.02 2.12 0.00 137 V 8.18 3.73 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 0.65 0.00 0.00 0.91 0.00 0.00