NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4113 8.3049 120.3482 54.9978 33.4257 174.9732 2 L 4.0242 8.3096 125.7081 54.0623 42.3935 175.6109 3 T 4.0703 8.6213 117.5715 64.4025 68.9112 174.4131 4 D 4.4843 7.5770 119.9998 51.4119 42.4500 173.2729 5 P 4.1816 0.0000 0.0000 65.5388 31.6450 178.1180 6 I 3.4663 7.7868 117.6446 64.2803 36.8816 178.1081 7 A 3.9775 8.8888 121.8478 54.6588 18.3546 179.0185 8 D 4.1600 7.9549 116.5690 57.6656 41.3181 178.0487 9 M 3.9012 8.4783 118.7993 58.7139 32.1855 177.7954 10 L 3.8543 7.7314 118.8875 58.3018 41.7554 179.8779 11 T 3.7479 8.2759 115.4637 66.7496 68.3918 176.6449 12 R 3.8271 8.4968 120.3200 59.6337 30.1093 179.1231 13 I 3.6170 7.8026 119.0859 64.2296 36.9027 178.2256 14 R 3.7644 7.6299 118.1928 59.5929 30.2497 177.9000 15 N 4.3638 8.7907 116.2000 56.4081 38.5564 177.0451 16 A 4.0207 8.3316 122.6554 55.6923 18.3793 179.7961 17 T 4.3736 7.9774 109.2896 64.3256 68.7354 177.2274 18 R 3.6931 7.5892 119.5470 58.0177 30.0569 178.2297 19 V 4.1908 7.3233 109.1880 60.2032 32.2296 174.9913 20 Y 3.1376 7.4087 115.1545 58.5060 35.5335 170.1565 21 K 4.1202 8.0622 118.7572 57.0843 33.1499 176.5161 22 E 4.5126 8.8594 119.0974 57.8887 30.7321 175.0658 23 S 4.8840 7.7184 111.3322 58.3546 65.4564 171.9467 24 T 4.5617 7.5552 119.6781 62.4902 69.9642 172.3736 25 D 5.3308 8.6015 128.8341 53.9687 43.0888 176.4818 26 V 4.4893 8.1799 113.0534 59.5776 36.5859 171.8214 27 P 3.3775 0.0000 0.0000 62.9584 31.6992 175.6411 28 A 4.5949 8.1018 125.2384 51.3469 20.2634 177.0410 29 S 4.5479 8.3309 112.3142 56.0115 65.9135 175.5596 30 R 3.9557 8.9533 123.2525 59.7709 29.8615 178.7335 31 F 4.5012 8.2934 119.2776 61.5764 39.4051 176.9373 32 K 3.5636 8.5764 118.2062 59.3754 31.7496 178.7074 33 E 3.6226 8.7428 119.7032 59.4232 29.0118 178.6204 34 E 3.9923 8.5661 118.8140 59.6204 29.4870 179.6136 35 I 3.7182 7.6481 119.5362 64.1880 37.1775 178.1679 36 L 3.8109 7.7177 119.8394 58.0474 41.4254 179.6066 37 R 4.0738 8.0256 117.9264 59.7233 30.0768 179.0693 38 I 3.7729 7.4999 118.0768 64.3483 37.1330 178.1794 39 L 4.1752 8.0989 119.7431 58.0220 41.5254 179.5361 40 A 4.0526 8.6062 120.5976 55.2659 18.1715 179.5746 41 R 3.8624 7.8230 115.6634 59.7265 30.3292 178.2091 42 E 4.0784 8.6469 116.1854 56.4207 30.3508 176.3881 43 G 3.6450 7.7786 106.5548 46.7050 0.0000 174.1603 44 F 4.7400 8.3754 115.7869 57.2626 41.1227 176.6997 45 I 4.7503 7.2514 112.8891 58.9611 40.4155 175.6115 46 K 4.0887 8.6065 119.7550 57.1710 31.7968 177.3603 47 G 3.9474 9.2135 107.1134 45.3719 0.0000 172.1081 48 Y 5.4551 7.5717 114.1326 56.5156 40.4334 173.2068 49 E 4.5818 9.2394 117.7957 54.6970 33.6969 174.6941 50 R 4.8458 8.5554 119.2241 56.6025 31.5182 175.8649 51 V 4.5284 8.4013 120.6130 62.5050 35.6536 171.9853 52 D 5.7977 8.4771 119.6722 51.6625 45.0378 176.1185 53 V 4.0651 8.1129 119.6434 62.7442 34.1925 174.0458 54 D 4.1422 10.1391 124.3575 54.9959 39.8005 173.3190 55 G 4.0782 9.0892 103.4303 45.6334 0.0000 173.7340 56 K 4.6256 8.2246 117.6269 53.1499 36.3085 173.7729 57 P 4.5734 0.0000 0.0000 64.1857 32.1484 174.5078 58 Y 5.0892 9.1172 122.8720 55.9502 42.0146 174.8809 59 L 4.8755 8.7572 118.7411 53.0962 44.9932 176.5900 60 R 4.1100 8.9803 124.4471 56.1688 31.2305 176.1778 61 V 4.5454 8.4196 124.8117 61.1870 33.2703 174.7299 62 Y 4.3566 8.6155 127.1460 57.7025 38.5150 175.8080 63 L 4.6053 8.6636 125.0606 54.1365 43.0683 176.4312 64 K 4.6870 7.9940 121.1808 55.0183 35.1674 174.7703 65 Y 4.8444 8.5253 122.6514 56.2031 42.8292 176.8127 66 G 4.1724 8.8046 110.5917 45.0429 0.0000 171.2933 67 P 4.8119 0.0000 0.0000 61.0319 33.9002 175.2533 68 R 4.2367 8.5291 120.5772 57.2149 30.6037 175.1302 69 R 4.8069 7.9286 120.1249 54.2257 34.2002 175.1862 70 Q 4.1517 8.6604 119.7899 55.7627 29.8566 177.0711 71 G 3.9360 8.3965 108.4811 44.1522 0.0000 171.6521 72 P 4.2982 0.0000 0.0000 63.4563 31.9519 174.8027 73 D 4.3079 8.3642 119.5913 54.6951 38.1525 171.1556 74 P 4.8071 0.0000 0.0000 62.5913 32.5761 176.5412 75 R 4.1675 7.2145 117.8052 55.7299 30.9013 175.4260 76 P 5.0405 0.0000 0.0000 62.2349 32.2190 175.8483 77 E 4.3168 8.8228 122.8692 56.3383 31.0723 175.8208 78 Q 4.6878 8.4584 123.2575 55.2102 30.1195 176.5652 79 V 3.7658 8.3682 121.6178 65.6069 31.8337 176.6674 80 I 4.3577 7.2581 122.1245 60.2189 35.9479 175.2589 81 H 4.1840 8.8777 122.2543 58.3158 29.1312 175.5485 82 H 4.4204 6.9372 118.3033 54.1824 32.8213 172.5577 83 I 4.3210 7.2662 122.5697 60.5381 39.6395 172.9879 84 R 4.5833 8.5195 130.2732 54.0448 33.3394 174.7336 85 R 4.0516 8.6628 124.8376 56.8947 30.3981 175.1478 86 I 4.2666 8.4791 122.3419 63.0457 38.5271 175.8825 87 S 4.3684 7.8817 117.2125 58.1998 63.0433 173.2767 88 K 4.6645 8.6117 124.6162 53.7523 36.2055 174.4805 89 P 4.1413 0.0000 0.0000 64.3624 32.0751 175.9738 90 G 3.4462 8.3382 108.3452 45.6099 0.0000 175.0352 91 R 4.3293 7.6021 119.8980 57.2397 28.2603 173.6370 92 R 4.1311 7.5736 119.6890 55.4947 31.3814 175.4770 93 V 4.1395 8.9291 125.3741 61.4070 33.7887 174.0466 94 Y 5.4362 8.2873 124.7978 56.8644 40.7346 175.3670 95 V 4.5654 8.6705 112.7103 60.2989 36.8024 174.8543 96 G 3.8883 9.0829 112.8606 44.3484 0.0000 175.3327 97 V 3.7110 8.3624 119.4662 64.3423 31.3062 178.5153 98 K 4.1393 8.0241 117.9274 58.5869 32.8301 177.1873 99 E 4.5709 8.3954 118.4798 55.9979 29.6154 175.6793 100 I 4.0375 7.2191 120.1443 60.1845 37.7350 174.4090 101 P 4.5179 0.0000 0.0000 62.8074 32.2190 177.0348 102 R 4.2523 8.0022 120.2680 53.7854 28.8823 173.8410 103 V 3.3208 7.8680 118.4216 63.7066 32.2057 175.1110 104 R 3.6029 8.2897 127.6053 59.9363 26.7180 177.1320 105 R 3.6759 8.5130 112.8338 56.9389 28.2837 177.4125 106 G 4.0777 8.3131 109.5288 45.7776 0.0000 175.3581 107 L 4.1793 8.2994 117.7875 55.9979 41.6029 176.0214 108 G 4.6846 7.7922 105.1086 44.4365 0.0000 171.1168 109 I 5.1717 9.3380 112.3887 59.0669 41.9918 174.4397 110 A 4.8537 9.0187 123.0174 50.5838 22.5044 175.3911 111 I 4.4287 8.4311 125.1915 60.4812 38.3375 175.2039 112 L 5.2600 8.5168 127.4833 53.9235 44.0064 175.2570 113 S 5.0877 9.1005 116.1562 57.0578 64.2420 173.1391 114 T 4.9967 8.6492 117.3455 59.3910 71.7998 175.2651 115 S 4.2021 8.7829 115.4579 60.5421 63.1181 174.9932 116 K 4.2400 7.6907 120.0620 56.1173 31.9178 176.4115 117 G 3.8237 8.2814 107.3353 44.0089 0.0000 172.6532 118 V 4.4826 7.9541 118.7024 62.5918 32.1899 175.4572 119 L 4.7184 8.8937 126.2366 54.5184 44.0113 174.7081 120 T 4.4126 8.5879 112.1677 61.9521 69.4620 174.5425 121 D 4.4588 8.8711 123.5141 57.0790 39.0379 179.5014 122 R 3.9027 7.9611 118.4975 59.2491 30.2412 178.5797 123 E 3.9812 8.0443 117.6427 59.3938 29.4561 179.3396 124 A 4.0091 8.4218 121.1503 55.2844 18.3351 179.7010 125 R 3.8550 8.3231 117.4598 59.8791 29.8845 177.6994 126 K 3.8906 7.9834 118.5165 59.8545 32.1488 178.0977 127 L 4.1170 8.3645 122.3416 55.1145 42.9122 177.0875 128 G 3.9000 7.8645 106.7752 45.8027 0.0000 174.6594 129 V 4.3917 8.1212 109.6834 59.9814 36.4382 176.1083 130 G 4.1735 7.8039 113.5534 45.4709 0.0000 172.8352 131 G 3.9919 7.7441 106.1469 46.1933 0.0000 171.7144 132 E 4.8385 8.2710 124.6931 55.3304 30.5516 176.8490 133 L 4.1565 8.9291 130.5163 55.3392 42.1688 177.1399 134 I 4.0907 8.8330 128.4340 63.2438 37.3873 177.1831 135 C 5.3055 7.6778 114.1276 56.7941 34.1810 171.2507 136 E 4.8580 8.7699 118.0190 54.8168 33.2326 174.7017 137 V 4.8783 8.7109 124.9131 61.3452 35.5892 174.1317 138 W 5.0421 8.7685 124.4793 56.9510 28.3192 174.6159 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 4.41 0.00 1.99 2.03 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.56 0.00 2 L 8.31 4.02 0.00 1.73 1.56 0.96 0.60 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 3 T 8.62 4.07 4.23 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 1.19 0.00 0.00 4 D 7.58 4.48 0.00 2.68 2.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 P 0.00 4.18 0.00 2.15 2.03 0.00 3.66 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.15 0.00 6 I 7.79 3.47 1.75 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.87 0.67 0.00 0.00 7 A 8.89 3.98 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 8 D 7.95 4.16 0.00 2.77 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 9 M 8.48 3.90 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 10 L 7.73 3.85 0.00 1.80 1.60 0.81 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 11 T 8.28 3.75 4.40 0.00 0.00 0.00 0.00 0.00 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 12 R 8.50 3.83 0.00 1.90 1.98 0.00 3.11 0.00 0.00 3.23 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.79 0.00 13 I 7.80 3.62 1.97 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 1.34 0.90 0.81 0.00 0.00 14 R 7.63 3.76 0.00 1.67 1.99 0.00 3.17 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.53 0.00 15 N 8.79 4.36 0.00 2.84 2.81 0.00 0.00 6.97 8.12 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 16 A 8.33 4.02 1.35 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 17 T 7.98 4.37 4.43 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 1.10 0.00 0.00 18 R 7.59 3.69 0.00 1.86 1.93 0.00 3.03 0.00 0.00 3.29 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 19 V 7.32 4.19 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 0.78 0.00 0.00 1.03 0.00 0.00 20 Y 7.41 3.14 0.00 3.01 2.64 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.06 4.12 0.00 1.88 1.94 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.54 7.81 22 E 8.86 4.51 0.00 2.06 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 2.48 2.44 0.00 23 S 7.72 4.88 0.00 3.77 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 24 T 7.56 4.56 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 1.20 0.00 0.00 25 D 8.60 5.33 0.00 2.61 2.74 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 26 V 8.18 4.49 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 0.72 0.00 0.00 0.83 0.00 0.00 27 P 0.00 3.38 0.00 1.69 1.60 0.00 3.54 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 1.91 1.84 0.00 28 A 8.10 4.59 1.23 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 0.00 0.00 29 S 8.33 4.55 0.00 3.99 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 30 R 8.95 3.96 0.00 1.89 2.10 0.00 3.33 0.00 0.00 3.30 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.69 0.00 31 F 8.29 4.50 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 32 K 8.58 3.56 0.00 1.80 1.69 0.00 1.76 0.00 0.00 1.44 0.00 0.00 2.81 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.26 1.24 7.81 33 E 8.74 3.62 0.00 2.11 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 2.41 2.30 0.00 34 E 8.57 3.99 0.00 2.34 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 0.00 2.64 2.60 0.00 35 I 7.65 3.72 1.80 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.53 0.79 0.00 0.00 36 L 7.72 3.81 0.00 1.16 0.98 0.35 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 37 R 8.03 4.07 0.00 2.01 2.09 0.00 3.32 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.85 0.00 38 I 7.50 3.77 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 1.58 0.71 0.99 0.00 0.00 39 L 8.10 4.18 0.00 1.89 1.84 0.92 0.56 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 40 A 8.61 4.05 1.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 R 7.82 3.86 0.00 1.96 2.19 0.00 3.30 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 42 E 8.65 4.08 0.00 2.01 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 2.63 2.65 0.00 43 G 7.78 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 F 8.38 4.74 0.00 3.08 3.01 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 45 I 7.25 4.75 2.11 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.96 0.97 0.00 0.00 46 K 8.61 4.09 0.00 2.08 1.93 0.00 1.87 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.51 1.44 7.81 47 G 9.21 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 0.00 0.00 0.00 48 Y 7.57 5.46 0.00 3.20 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 49 E 9.24 4.58 0.00 1.99 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 2.55 2.43 0.00 50 R 8.56 4.85 0.00 1.78 1.97 0.00 3.28 0.00 0.00 3.21 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.76 0.00 51 V 8.40 4.53 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 1.00 0.00 0.00 1.07 0.00 0.00 52 D 8.48 5.80 0.00 2.55 2.53 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 0.00 53 V 8.11 4.07 1.35 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 0.66 0.00 0.00 0.58 0.00 0.00 54 D 10.14 4.14 0.00 2.74 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 55 G 9.09 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 0.00 0.00 0.00 56 K 8.22 4.63 0.00 2.15 1.95 0.00 1.62 0.00 0.00 1.77 0.00 0.00 3.13 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.47 7.81 57 P 0.00 4.57 0.00 2.12 2.28 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.02 0.00 58 Y 9.12 5.09 0.00 2.96 2.96 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 59 L 8.76 4.88 0.00 1.57 1.66 0.80 1.04 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 60 R 8.98 4.11 0.00 1.84 1.56 0.00 3.14 0.00 0.00 3.10 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.54 0.00 61 V 8.42 4.55 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 0.79 0.00 0.00 1.00 0.00 0.00 62 Y 8.62 4.36 0.00 3.20 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 63 L 8.66 4.61 0.00 1.79 1.31 0.94 0.78 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 64 K 7.99 4.69 0.00 1.78 1.70 0.00 1.73 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.30 1.45 7.81 65 Y 8.53 4.84 0.00 3.06 2.96 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 66 G 8.80 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 0.00 0.00 0.00 0.00 67 P 0.00 4.81 0.00 2.13 2.20 0.00 3.77 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 1.97 0.00 68 R 8.53 4.24 0.00 1.79 1.86 0.00 3.12 0.00 0.00 3.19 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.79 0.00 69 R 7.93 4.81 0.00 1.72 1.79 0.00 3.24 0.00 0.00 3.26 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.73 0.00 70 Q 8.66 4.15 0.00 2.04 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.01 0.00 0.00 0.00 0.00 0.00 2.36 2.30 0.00 71 G 8.40 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 P 0.00 4.30 0.00 2.19 2.07 0.00 3.93 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.95 0.00 73 D 8.36 4.31 0.00 2.82 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 74 P 0.00 4.81 0.00 2.20 2.20 0.00 3.70 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.93 0.00 75 R 7.21 4.17 0.00 1.65 1.68 0.00 3.42 0.00 0.00 3.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.65 0.00 76 P 0.00 5.04 0.00 2.05 2.18 0.00 2.67 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00 77 E 8.82 4.32 0.00 2.12 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 2.42 2.42 0.00 78 Q 8.46 4.69 0.00 1.92 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.86 0.00 0.00 0.00 0.00 0.00 2.40 2.23 0.00 79 V 8.37 3.77 2.15 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 0.88 0.00 0.00 1.00 0.00 0.00 80 I 7.26 4.36 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.86 0.67 0.00 0.00 81 H 8.88 4.18 0.00 2.69 3.20 0.00 5.79 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 82 H 6.94 4.42 0.00 1.40 1.31 0.00 5.90 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 83 I 7.27 4.32 1.58 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.49 0.68 0.00 0.00 84 R 8.52 4.58 0.00 1.68 1.68 0.00 3.15 0.00 0.00 3.19 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.50 0.00 85 R 8.66 4.05 0.00 1.68 1.80 0.00 3.38 0.00 0.00 3.18 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.59 0.00 86 I 8.48 4.27 2.10 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 1.12 0.74 0.89 0.00 0.00 87 S 7.88 4.37 0.00 3.92 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 88 K 8.61 4.66 0.00 1.71 1.60 0.00 1.74 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.34 1.49 7.81 89 P 0.00 4.14 0.00 2.17 2.07 0.00 3.82 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.97 0.00 90 G 8.34 3.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 R 7.60 4.33 0.00 1.85 2.21 0.00 3.31 0.00 0.00 3.22 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.42 0.00 92 R 7.57 4.13 0.00 1.70 1.33 0.00 3.40 0.00 0.00 3.16 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.47 0.00 93 V 8.93 4.14 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 0.96 0.00 0.00 0.90 0.00 0.00 94 Y 8.29 5.44 0.00 2.92 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 95 V 8.67 4.57 2.21 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 0.72 0.00 0.00 1.04 0.00 0.00 96 G 9.08 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 0.00 0.00 0.00 97 V 8.36 3.71 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 0.84 0.00 0.00 0.94 0.00 0.00 98 K 8.02 4.14 0.00 1.89 1.99 0.00 1.55 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.47 7.81 99 E 8.40 4.57 0.00 2.17 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 2.27 2.26 0.00 100 I 7.22 4.04 1.89 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 1.38 0.78 0.93 0.00 0.00 101 P 0.00 4.52 0.00 2.18 2.05 0.00 3.77 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.00 0.00 102 R 8.00 4.25 0.00 1.78 1.90 0.00 3.21 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.58 0.00 103 V 7.87 3.32 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 1.08 0.00 0.00 1.03 0.00 0.00 104 R 8.29 3.60 0.00 1.74 1.63 0.00 2.76 0.00 0.00 2.76 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.50 0.00 105 R 8.51 3.68 0.00 1.77 2.07 0.00 3.17 0.00 0.00 3.14 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 106 G 8.31 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 0.00 0.00 0.00 107 L 8.30 4.18 0.00 1.60 1.76 0.90 1.00 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 0.00 108 G 7.79 4.68 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 0.00 109 I 9.34 5.17 2.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.93 1.18 0.00 0.00 110 A 9.02 4.85 1.26 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 0.00 111 I 8.43 4.43 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 1.33 1.19 0.96 0.00 0.00 112 L 8.52 5.26 0.00 1.83 1.79 0.96 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 113 S 9.10 5.09 0.00 3.97 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 T 8.65 5.00 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 115 S 8.78 4.20 0.00 3.98 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 0.00 116 K 7.69 4.24 0.00 1.73 1.87 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.42 1.37 7.81 117 G 8.28 3.82 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 0.00 0.00 0.00 0.00 0.00 0.00 118 V 7.95 4.48 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 0.98 0.00 0.00 1.10 0.00 0.00 119 L 8.89 4.72 0.00 1.75 1.85 0.94 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 120 T 8.59 4.41 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 1.35 0.00 0.00 121 D 8.87 4.46 0.00 2.93 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 0.00 122 R 7.96 3.90 0.00 1.87 2.04 0.00 3.31 0.00 0.00 3.35 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.69 0.00 123 E 8.04 3.98 0.00 2.15 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 2.35 2.36 0.00 124 A 8.42 4.01 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 0.00 125 R 8.32 3.86 0.00 2.10 1.95 0.00 3.12 0.00 0.00 3.10 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 126 K 7.98 3.89 0.00 1.81 1.95 0.00 1.87 0.00 0.00 1.72 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.50 7.81 127 L 8.36 4.12 0.00 1.68 1.73 0.93 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 128 G 7.86 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 0.00 129 V 8.12 4.39 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 0.72 0.00 0.00 0.94 0.00 0.00 130 G 7.80 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 0.00 0.00 0.00 0.00 131 G 7.74 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 E 8.27 4.84 0.00 2.42 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 2.26 1.88 0.00 133 L 8.93 4.16 0.00 1.78 1.57 0.93 1.23 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 0.00 134 I 8.83 4.09 2.18 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.86 0.90 0.00 0.00 135 C 7.68 5.31 0.00 2.97 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.77 4.86 0.00 2.09 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 2.43 2.33 0.00 137 V 8.71 4.88 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.72 0.00 0.00 138 W 8.77 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