NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 K 4.2765 8.3149 121.7920 56.0667 33.3812 175.4775 3 T 4.2531 8.2854 122.4810 63.0007 69.1791 173.1157 4 R 4.1994 9.8330 127.3911 58.5313 31.4915 177.0186 5 I 4.4330 7.2575 115.7097 58.6134 40.8723 175.7937 6 N 4.4215 8.4164 123.2207 52.9235 38.1078 174.9474 7 Y 4.0137 7.8302 126.5614 59.4951 38.2467 177.6351 8 A 3.6219 6.9183 121.4924 54.4989 18.3873 179.1727 9 K 4.0077 7.5853 115.6674 59.1998 32.4443 179.0389 10 A 4.3064 7.9978 120.3861 53.9826 19.4605 177.8107 11 S 4.5121 8.2120 112.5539 54.8337 63.2953 172.0326 12 P 4.5164 0.0000 0.0000 65.2385 31.2630 177.6304 13 E 3.9938 8.2535 116.5833 59.3926 29.4874 179.0959 14 A 3.9978 7.8077 120.4039 55.0556 18.3917 179.2898 15 F 4.2732 8.4019 119.2190 61.6980 39.4419 177.4678 16 K 3.8535 8.5529 117.8987 59.3630 31.6615 179.2200 17 A 3.9360 7.9943 121.0769 55.1714 18.3154 179.9148 18 V 3.2933 7.6062 116.7766 66.2380 31.3950 178.1805 19 M 4.2438 8.1705 118.5175 58.2274 31.7038 178.6159 20 A 4.0084 8.2301 121.3208 54.9684 18.5668 179.4503 21 L 3.9826 7.7449 118.9788 58.1967 42.1396 178.6519 22 E 4.1232 8.4775 119.3856 59.5358 29.5659 178.3213 23 N 4.3148 8.5635 117.1888 56.7068 38.7438 176.0666 24 Y 4.0617 7.9178 120.0344 60.7273 39.3292 177.8835 25 V 3.4537 7.8494 118.9448 66.2803 31.3975 177.9158 26 Q 4.0909 8.0657 116.4621 58.0989 27.7991 178.1890 27 S 4.7040 7.4448 113.1183 58.1118 63.3044 176.2001 28 S 3.8280 7.4765 118.7820 60.1481 62.8471 175.2668 29 G 4.0198 7.3674 109.1230 45.0153 0.0000 174.0833 30 L 4.1251 7.1544 120.0207 54.2915 42.4428 177.2432 31 E 3.8252 9.0167 122.7201 57.1802 30.9951 177.8458 32 H 4.1327 8.5736 122.6285 58.8532 28.8325 177.8023 33 R 3.8265 7.7545 120.1268 59.5890 29.7172 178.4622 34 F 4.7274 7.7127 116.9748 60.5246 39.0229 177.6712 35 I 3.7506 7.8276 119.3531 64.6954 36.8451 178.0374 36 H 4.3208 8.5313 117.4378 58.8895 28.5536 177.5183 37 L 4.0221 8.4808 121.9354 58.3080 41.9762 178.9677 38 I 3.6529 8.0757 119.8708 64.4646 37.1293 178.6647 39 K 3.9502 8.1728 119.1752 59.2214 31.8609 179.3437 40 L 3.9637 8.2496 120.9321 58.1128 42.1209 178.9449 41 R 3.7927 8.0734 118.4867 59.4151 29.9851 178.2838 42 A 4.0017 7.9367 120.5640 55.3264 18.3247 179.7709 43 S 4.2438 8.1013 113.5550 61.7045 62.8611 177.0094 44 I 3.7201 7.9069 122.4522 64.4939 36.6797 178.4039 45 I 3.7286 7.5678 119.1159 64.5128 37.1085 177.6018 46 N 4.6829 8.2420 113.9863 53.1182 38.5455 175.8655 47 G 3.7982 7.7441 108.5461 46.7907 0.0000 174.6645 48 C 4.4362 8.0924 121.3626 57.5717 30.8487 173.4646 49 A 4.0422 8.4044 129.9443 54.7138 18.0764 178.4185 50 F 4.1086 8.4426 118.7052 62.0521 39.3474 177.1401 51 C 4.0581 8.2519 115.5763 62.4748 28.0483 175.9567 52 V 3.5894 8.2025 120.3934 66.0205 30.9649 177.4077 53 D 4.1792 8.2509 118.0322 57.5724 40.9698 177.9614 54 M 3.7765 7.3884 118.4191 59.0409 32.1961 177.8131 55 H 4.6971 8.2831 117.4882 57.3506 28.8980 177.8863 56 V 3.6507 8.1523 120.9958 66.0798 31.3606 178.2390 57 K 3.9588 7.7717 117.9701 59.4558 31.5247 179.2683 58 E 3.9451 8.3049 118.8921 59.4735 29.4476 179.5745 59 S 3.7929 8.1652 115.2084 61.4908 62.9377 176.7399 60 R 3.8530 8.1579 121.4690 59.7128 29.6001 178.0046 61 H 4.1608 8.1256 116.9874 59.0605 29.8645 175.9757 62 D 4.6552 7.5650 117.6989 54.0170 40.7282 177.2443 63 G 3.8402 7.7226 107.5986 45.1842 0.0000 174.3102 64 L 3.7805 7.0666 119.1425 54.0207 42.2457 177.9714 65 S 4.4061 8.2251 117.0347 58.2024 65.2714 175.3474 66 E 4.0905 8.7028 122.2033 59.4193 29.1748 179.5485 67 Q 3.9493 8.0681 119.4122 58.9221 29.0681 177.5936 68 W 4.1238 8.1991 128.1579 60.6506 30.5720 177.7819 69 I 4.1393 8.2528 119.5095 64.8203 36.5087 178.3386 70 N 4.5026 8.6780 115.9257 55.5953 38.6611 176.5769 71 L 4.4891 8.0818 118.8399 55.2853 41.7928 178.1532 72 M 4.0355 7.7195 119.1302 58.2469 32.2135 177.7763 73 S 4.4497 8.0839 112.8715 60.2107 63.6285 174.5158 74 V 4.5480 8.0568 117.2947 60.3666 32.9931 177.5945 75 W 4.4812 8.5022 119.3106 59.5358 28.2692 178.2652 76 R 2.8753 6.7671 117.1156 58.2981 29.3979 176.9851 77 E 4.3708 7.6259 114.6747 55.8882 29.7096 175.2487 78 S 4.7318 7.8145 115.1403 55.8786 63.5096 172.2289 79 P 4.6045 0.0000 0.0000 63.5921 31.4089 177.5768 80 V 3.6183 7.3896 119.4060 64.6369 31.4947 176.5173 81 Y 4.7167 7.3467 117.6275 57.2389 38.7528 175.9075 82 T 4.2867 9.1945 115.1824 61.4623 71.0447 175.6275 83 E 4.0531 8.7080 120.9310 59.5068 29.4670 179.4324 84 Q 3.4466 7.9366 119.0718 59.1233 29.2431 177.9439 85 E 4.0843 8.4951 119.6814 59.6425 29.5223 179.5926 86 R 3.7579 8.5535 118.2215 59.0364 29.9003 178.9950 87 A 4.0041 8.0981 120.6067 54.9972 18.3793 179.4641 88 L 3.8254 7.9377 118.7787 58.2716 42.1090 179.0223 89 L 3.5216 7.9388 119.3763 57.5763 41.2499 179.6978 90 G 3.8919 7.8189 105.5085 47.6852 0.0000 175.5245 91 W 4.3837 7.9101 130.4676 60.0780 30.7003 178.1820 92 V 3.4421 8.1600 118.7161 66.1669 30.8796 177.6871 93 D 4.3206 8.3603 118.3746 57.4699 40.5340 178.7118 94 A 3.9314 7.7938 119.6947 55.1171 18.4238 179.4680 95 V 3.3592 7.3172 115.8593 65.9294 31.6270 178.0753 96 T 3.9353 7.8781 115.0766 65.4583 68.9751 175.7162 97 K 4.5478 7.8737 120.7983 55.6180 32.6571 178.3281 98 I 3.6249 7.6987 120.7514 64.4156 37.8431 176.1362 99 A 3.9430 7.8217 120.1108 54.7811 18.3006 178.8579 100 E 4.1358 8.0175 116.2073 59.0563 30.0471 178.2834 101 T 4.3117 7.9688 108.1552 61.2828 69.5668 175.7520 102 G 3.7244 8.4147 107.6690 45.3348 0.0000 173.5113 103 A 3.6019 7.8716 121.0221 51.9414 15.9760 176.7500 104 P 4.5402 0.0000 0.0000 61.4960 33.9882 176.5020 105 D 4.5687 8.8627 120.4100 58.0382 40.7976 179.2217 106 D 4.3908 8.2334 118.2341 57.4518 40.9988 178.5165 107 A 4.1880 8.1944 120.7278 55.2736 18.3664 179.3375 108 F 3.6367 8.5665 119.2244 61.1029 39.5705 177.0009 109 E 3.7200 8.6979 119.4484 59.6224 29.2231 178.9936 110 T 3.8591 7.7215 114.5058 66.3910 68.7997 176.0917 111 L 4.0700 7.6480 122.1307 58.3187 41.6214 179.3311 112 R 3.6336 7.7105 117.8656 58.9087 29.5949 178.7513 113 A 3.6955 7.4660 119.7756 54.5379 18.3760 177.7297 114 H 4.4853 7.8930 111.2617 55.4138 30.5632 174.3066 115 F 4.9541 7.3143 117.2187 54.4691 42.7187 175.3255 116 S 4.4188 9.1688 119.7233 58.0569 65.0052 175.3076 117 D 4.3502 8.5629 122.0131 57.4484 40.5271 178.6935 118 E 3.9604 8.1460 119.2232 59.4433 29.7670 178.5141 119 E 4.0216 8.2339 118.5463 59.5960 29.4501 179.4668 120 I 3.5967 8.1074 120.1245 64.1868 37.0385 178.6658 121 V 3.6372 7.9476 119.0683 65.9212 31.3736 178.1266 122 K 4.0691 8.1054 118.1930 59.6622 31.8524 179.2054 123 I 3.6718 8.1561 120.2478 64.9344 37.0112 178.7264 124 T 4.0398 8.3376 116.6837 66.4904 68.2665 177.1602 125 V 3.6099 8.2223 120.2971 65.8781 31.5852 177.8872 126 A 4.0906 8.2900 120.6113 55.3086 18.2178 179.6651 127 I 3.7709 8.2013 118.6873 64.3670 37.1437 178.8544 128 G 3.5782 8.3048 106.3907 47.6976 0.0000 175.4796 129 A 3.9330 8.4058 123.9228 55.0096 18.4802 179.6643 130 I 3.9812 7.9846 117.0562 64.3099 37.9666 177.8201 131 N 4.5624 8.2973 117.4869 56.2751 38.2237 177.6465 132 T 3.7289 7.7802 117.3521 66.3947 68.5958 176.7437 133 W 4.4019 8.0284 120.7799 60.0567 29.0274 178.2266 134 N 4.4691 8.8731 116.6728 56.6019 37.9482 177.7103 135 R 3.8255 7.8330 119.0334 59.0365 30.0553 179.2398 136 I 3.0204 7.7539 119.4226 64.0764 37.0267 178.4090 137 A 3.9492 8.2734 123.2790 54.5873 18.2454 179.9411 138 V 3.6061 8.0955 117.1884 66.0788 31.4349 178.2234 139 G 3.5231 7.7215 104.3170 47.1713 0.0000 174.0427 140 F 5.1141 7.9307 117.3021 56.2349 39.5821 175.9771 141 R 4.0034 7.9503 119.2430 56.8950 27.8438 176.7056 142 S 4.1057 8.1740 113.1100 58.9244 63.5307 174.0419 143 Q 4.9394 8.4817 123.5436 54.1947 30.0697 175.4628 144 H 4.6544 8.8100 119.0689 54.1390 29.6343 173.4888 145 P 4.3556 0.0000 0.0000 62.7789 31.7860 175.9092 146 V 4.2708 8.0802 119.6314 61.0216 32.8394 174.9109 147 E 4.1644 8.7597 127.5436 55.7812 30.0289 176.7466 148 A 4.2135 8.5571 125.8279 52.4011 18.7514 176.7749 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 2 K 8.31 4.28 0.00 1.74 1.80 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.94 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.33 1.48 7.81 3 T 8.29 4.25 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 1.31 0.00 0.00 4 R 9.83 4.20 0.00 2.05 2.05 0.00 3.38 0.00 0.00 3.34 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.66 0.00 5 I 7.26 4.43 1.08 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.43 0.64 0.00 0.00 6 N 8.42 4.42 0.00 2.64 2.59 0.00 0.00 6.97 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 7 Y 7.83 4.01 0.00 3.36 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 8 A 6.92 3.62 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.59 4.01 0.00 1.75 1.79 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.35 1.47 7.81 10 A 8.00 4.31 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 11 S 8.21 4.51 0.00 3.85 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 12 P 0.00 4.52 0.00 2.25 2.16 0.00 3.69 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.33 0.00 13 E 8.25 3.99 0.00 2.02 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 2.44 2.35 0.00 14 A 7.81 4.00 1.40 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 0.00 0.00 0.00 15 F 8.40 4.27 0.00 3.37 3.40 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 0.00 16 K 8.55 3.85 0.00 2.07 1.88 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.07 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.58 1.83 7.81 17 A 7.99 3.94 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.61 3.29 1.51 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 -0.45 0.00 0.00 0.60 0.00 0.00 19 M 8.17 4.24 0.00 2.01 2.02 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.93 0.00 20 A 8.23 4.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.74 3.98 0.00 1.69 1.81 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 22 E 8.48 4.12 0.00 2.64 2.38 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 2.46 2.49 0.00 23 N 8.56 4.31 0.00 3.02 3.04 0.00 0.00 6.88 8.27 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 24 Y 7.92 4.06 0.00 3.08 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 25 V 7.85 3.45 2.28 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 0.99 0.00 0.00 1.10 0.00 0.00 26 Q 8.07 4.09 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 7.01 0.00 0.00 0.00 0.00 0.00 2.62 2.54 0.00 27 S 7.44 4.70 0.00 3.98 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 28 S 7.48 3.83 0.00 3.74 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 29 G 7.37 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 0.00 0.00 0.00 30 L 7.15 4.13 0.00 1.59 1.70 0.96 1.15 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 31 E 9.02 3.83 0.00 2.00 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 2.08 2.26 0.00 32 H 8.57 4.13 0.00 3.12 3.17 0.00 5.69 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 33 R 7.75 3.83 0.00 1.61 1.45 0.00 3.40 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.42 0.00 34 F 7.71 4.73 0.00 3.29 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 35 I 7.83 3.75 1.97 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.93 0.92 0.00 0.00 36 H 8.53 4.32 0.00 3.50 3.55 0.00 5.62 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 L 8.48 4.02 0.00 2.32 2.10 0.97 0.78 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 38 I 8.08 3.65 2.04 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 1.50 0.48 0.92 0.00 0.00 39 K 8.17 3.95 0.00 1.67 1.35 0.00 1.63 0.00 0.00 1.36 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.42 1.54 7.81 40 L 8.25 3.96 0.00 1.90 1.75 0.98 1.11 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 41 R 8.07 3.79 0.00 1.76 1.85 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.61 0.00 42 A 7.94 4.00 1.40 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 0.00 0.00 0.00 43 S 8.10 4.24 0.00 4.15 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 I 7.91 3.72 2.04 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 1.55 0.69 0.94 0.00 0.00 45 I 7.57 3.73 2.02 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 1.56 0.65 0.91 0.00 0.00 46 N 8.24 4.68 0.00 2.80 2.87 0.00 0.00 7.12 7.41 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 47 G 7.74 3.80 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 0.00 0.00 0.00 48 C 8.09 4.44 0.00 3.08 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 49 A 8.40 4.04 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 F 8.44 4.11 0.00 3.37 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 C 8.25 4.06 0.00 3.14 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 52 V 8.20 3.59 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 1.05 0.00 0.00 1.02 0.00 0.00 53 D 8.25 4.18 0.00 2.48 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 54 M 7.39 3.78 0.00 1.72 1.57 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.45 0.00 55 H 8.28 4.70 0.00 3.23 3.37 0.00 5.69 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 V 8.15 3.65 2.28 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 1.13 0.00 0.00 0.98 0.00 0.00 57 K 7.77 3.96 0.00 1.88 1.79 0.00 1.74 0.00 0.00 1.58 0.00 0.00 3.01 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.42 1.50 7.81 58 E 8.30 3.95 0.00 2.04 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.45 0.00 59 S 8.17 3.79 0.00 4.11 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 60 R 8.16 3.85 0.00 1.95 2.08 0.00 3.10 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.73 0.00 61 H 8.13 4.16 0.00 3.23 3.46 0.00 5.99 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 62 D 7.56 4.66 0.00 2.60 2.59 0.00 0.00 0.00 0.00 0.00 0.00 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 G 7.72 3.84 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 0.00 0.00 0.00 0.00 0.00 0.00 64 L 7.07 3.78 0.00 1.42 0.83 0.11 -0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 65 S 8.23 4.41 0.00 4.07 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 66 E 8.70 4.09 0.00 2.03 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 2.42 2.33 0.00 67 Q 8.07 3.95 0.00 2.15 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.86 0.00 0.00 0.00 0.00 0.00 2.41 2.43 0.00 68 W 8.20 4.12 0.00 3.26 3.41 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 69 I 8.25 4.14 2.17 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.24 1.02 0.00 0.00 70 N 8.68 4.50 0.00 2.79 2.93 0.00 0.00 7.14 7.82 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 71 L 8.08 4.49 0.00 1.92 1.86 0.91 0.67 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 72 M 7.72 4.04 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.41 0.00 73 S 8.08 4.45 0.00 4.09 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 74 V 8.06 4.55 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 0.98 0.00 0.00 1.05 0.00 0.00 75 W 8.50 4.48 0.00 3.15 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 76 R 6.77 2.88 0.00 1.23 1.50 0.00 2.81 0.00 0.00 2.82 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 77 E 7.63 4.37 0.00 1.83 1.93 0.00 0.00 0.00 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 2.31 0.00 78 S 7.81 4.73 0.00 3.95 4.04 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 79 P 0.00 4.60 0.00 2.23 2.17 0.00 3.83 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 1.98 1.96 0.00 80 V 7.39 3.62 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 -0.35 0.00 0.00 0.83 0.00 0.00 81 Y 7.35 4.72 0.00 3.20 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 82 T 9.19 4.29 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 1.40 0.00 0.00 83 E 8.71 4.05 0.00 2.04 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 2.45 2.36 0.00 84 Q 7.94 3.45 0.00 2.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.90 0.00 0.00 0.00 0.00 0.00 2.25 1.89 0.00 85 E 8.50 4.08 0.00 2.50 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 2.77 2.71 0.00 86 R 8.55 3.76 0.00 2.07 2.23 0.00 3.34 0.00 0.00 3.45 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.06 0.00 87 A 8.10 4.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 L 7.94 3.83 0.00 1.69 1.74 0.64 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 89 L 7.94 3.52 0.00 0.27 0.13 -0.20 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 90 G 7.82 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 91 W 7.91 4.38 0.00 3.30 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 92 V 8.16 3.44 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 0.98 0.00 0.00 0.87 0.00 0.00 93 D 8.36 4.32 0.00 3.09 2.81 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 94 A 7.79 3.93 1.24 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 95 V 7.32 3.36 1.60 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 0.58 0.00 0.00 -0.60 0.00 0.00 96 T 7.88 3.94 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 1.22 0.00 0.00 97 K 7.87 4.55 0.00 1.85 1.75 0.00 1.86 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.35 1.39 7.81 98 I 7.70 3.62 1.94 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 1.48 1.37 0.84 0.00 0.00 99 A 7.82 3.94 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 0.00 100 E 8.02 4.14 0.00 2.07 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 2.28 2.33 0.00 101 T 7.97 4.31 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 1.24 0.00 0.00 102 G 8.41 3.72 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 0.00 0.00 0.00 103 A 7.87 3.60 1.16 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 0.00 0.00 104 P 0.00 4.54 0.00 2.28 2.05 0.00 3.73 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 2.17 2.40 0.00 105 D 8.86 4.57 0.00 2.75 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 0.00 106 D 8.23 4.39 0.00 2.77 2.79 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 0.00 0.00 0.00 107 A 8.19 4.19 1.64 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 0.00 108 F 8.57 3.64 0.00 3.26 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 0.00 109 E 8.70 3.72 0.00 2.15 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 2.26 2.32 0.00 110 T 7.72 3.86 4.28 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 1.27 0.00 0.00 111 L 7.65 4.07 0.00 1.58 1.19 0.62 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 112 R 7.71 3.63 0.00 1.67 1.69 0.00 2.86 0.00 0.00 2.77 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.50 0.00 113 A 7.47 3.70 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 0.00 114 H 7.89 4.49 0.00 2.77 2.56 0.00 5.60 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 F 7.31 4.95 0.00 2.64 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 0.00 116 S 9.17 4.42 0.00 4.05 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 0.00 117 D 8.56 4.35 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 0.00 118 E 8.15 3.96 0.00 2.06 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 2.43 2.45 0.00 119 E 8.23 4.02 0.00 2.36 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 2.45 2.44 0.00 120 I 8.11 3.60 1.99 0.00 0.00 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.76 0.87 0.00 0.00 121 V 7.95 3.64 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 1.02 0.00 0.00 122 K 8.11 4.07 0.00 2.06 1.90 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.78 7.81 123 I 8.16 3.67 1.96 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.53 0.91 0.00 0.00 124 T 8.34 4.04 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 1.34 0.00 0.00 125 V 8.22 3.61 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 1.15 0.00 0.00 1.00 0.00 0.00 126 A 8.29 4.09 1.45 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 0.00 127 I 8.20 3.77 1.98 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 1.41 0.74 0.80 0.00 0.00 128 G 8.30 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 129 A 8.41 3.93 1.45 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 0.00 130 I 7.98 3.98 1.96 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.13 1.05 0.00 0.00 131 N 8.30 4.56 0.00 3.02 2.82 0.00 0.00 6.97 7.10 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 0.00 132 T 7.78 3.73 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 0.84 0.00 0.00 133 W 8.03 4.40 0.00 3.62 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 0.00 134 N 8.87 4.47 0.00 2.87 2.92 0.00 0.00 7.07 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 0.00 135 R 7.83 3.83 0.00 1.84 1.82 0.00 3.17 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.70 0.00 136 I 7.75 3.02 1.87 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.41 0.15 0.00 0.00 137 A 8.27 3.95 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 V 8.10 3.61 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 1.00 0.00 0.00 1.01 0.00 0.00 139 G 7.72 3.52 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 0.00 140 F 7.93 5.11 0.00 3.21 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 0.00 141 R 7.95 4.00 0.00 2.04 2.00 0.00 3.33 0.00 0.00 3.20 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.77 0.00 142 S 8.17 4.11 0.00 3.16 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 0.00 143 Q 8.48 4.94 0.00 2.08 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.04 0.00 0.00 0.00 0.00 0.00 2.44 2.28 0.00 144 H 8.81 4.65 0.00 3.24 3.27 0.00 5.73 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 0.00 145 P 0.00 4.36 0.00 2.21 2.11 0.00 3.67 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.93 0.00 146 V 8.08 4.27 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 0.88 0.00 0.00 0.96 0.00 0.00 147 E 8.76 4.16 0.00 1.99 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 2.30 2.36 0.00 148 A 8.56 4.21 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