NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 53 M 4.3696 8.3001 120.3488 55.3142 34.3667 176.4767 54 A 4.0504 8.1413 120.8163 53.6908 18.4788 175.1913 55 S 4.5798 7.2983 107.2958 58.6600 67.2342 172.7673 56 H 4.5401 7.5163 127.0989 56.0514 30.7662 171.7739 57 H 4.5607 8.1593 120.1283 53.7790 30.9710 173.1378 58 H 4.2948 8.3019 123.6503 57.5262 29.1413 175.8740 59 H 4.7142 7.5917 124.9263 54.8746 29.9528 173.6948 60 H 4.6692 8.0484 125.9640 55.1570 28.8995 171.5978 61 H 4.2237 7.6314 117.8986 54.6755 27.8233 175.3087 62 L 4.3344 7.3439 129.4179 55.3796 46.0622 173.8258 63 D 4.6942 7.7982 115.3382 52.3321 44.4921 174.4800 64 Q 3.9248 8.7994 123.9625 58.1220 28.9706 173.3428 65 Q 3.5651 8.5471 125.6667 54.1135 30.9084 171.2313 66 P 4.2935 0.0000 0.0000 63.1045 32.0419 175.9774 67 A 4.2443 8.6161 123.5616 54.0595 19.5096 177.5643 68 A 4.5740 7.4970 114.5272 51.8785 21.7754 175.6999 69 Q 4.4574 8.6053 112.3610 53.9352 30.1346 176.7636 70 R 3.6313 8.1210 112.2970 57.0456 28.2859 175.9036 71 T 4.1335 7.6397 105.6880 63.3921 69.4304 172.7699 72 Y 4.4874 9.0805 120.3523 56.5652 40.2629 176.1979 73 A 4.2985 8.5988 123.9825 54.1631 19.5733 177.6481 74 K 4.8718 7.5975 114.8531 55.0126 36.5151 174.8684 75 A 4.9838 8.1925 122.8765 51.3979 23.3822 175.3581 76 I 4.5655 9.0057 123.3920 59.4434 40.7090 174.8924 77 L 5.0647 8.3847 128.8168 53.7913 41.8727 173.6448 78 E 4.6768 8.7655 122.7983 55.6183 30.0667 175.9007 79 V 4.5101 8.9262 118.0642 59.7555 35.0397 175.7251 80 C 4.7302 8.8463 119.3965 55.7658 45.0220 174.5136 81 T 3.5001 8.0288 106.9281 62.8636 66.9953 171.2630 82 C 4.5591 7.6889 114.1999 56.0874 40.9055 174.1613 83 K 4.0608 7.7615 119.8145 56.7568 32.2986 178.0523 84 F 4.0826 8.2371 123.2902 61.5781 39.4147 176.5329 85 R 3.9359 8.0201 119.3958 59.1256 30.2959 177.2724 86 A 4.0661 7.7511 118.7972 54.9734 19.2339 177.6482 87 Y 4.9508 7.6112 113.5046 56.2600 37.2710 175.4394 88 P 3.8874 0.0000 0.0000 64.5620 32.1730 178.3814 89 Q 4.1432 8.0590 117.6581 58.6361 29.0052 177.0767 90 I 3.8554 7.0276 117.8173 64.4205 37.6997 177.1018 91 Q 3.6826 8.4085 123.5967 59.3919 29.1441 178.8102 92 A 4.0945 7.5889 121.9383 55.4196 18.4237 179.6587 93 F 4.3212 8.2551 112.8284 60.1691 37.7059 177.6758 94 I 3.6647 6.4151 119.0706 64.2156 36.9556 177.8700 95 Q 4.1458 8.4765 118.3102 58.2152 28.6146 178.1925 96 S 4.3038 7.7274 114.1486 62.5311 62.6263 174.6153 97 G 3.9533 7.9021 106.6363 45.5593 0.0000 175.9237 98 R 3.8340 8.3283 119.9960 58.8746 30.1578 176.9510 99 P 2.9700 0.0000 0.0000 64.4141 31.1478 178.4556 100 A 3.9652 7.1105 119.0410 54.7143 18.3001 179.3182 101 K 4.3649 7.3292 115.9198 57.5245 32.6711 177.2452 102 F 4.8375 7.5159 119.3265 55.6174 38.3067 174.6102 103 P 4.3169 0.0000 0.0000 65.6747 31.3233 177.3989 104 N 4.5705 8.2272 114.2017 53.7065 38.8144 173.6998 105 L 4.7348 7.4086 120.6548 53.0681 43.5374 175.3514 106 Q 3.8958 7.9061 128.8336 55.9672 30.0978 175.0650 107 I 3.0514 7.3966 116.7061 61.4815 33.2019 173.2241 108 K 3.8619 7.5997 122.4526 55.7268 34.0679 176.7634 109 Y 5.8776 7.6635 121.0851 56.4892 36.0298 175.3929 110 V 3.5591 7.6131 119.6204 60.7555 33.1124 178.3831 111 R 4.0290 8.5740 121.6524 57.9306 30.4180 177.5421 112 G 4.9801 6.8547 110.8243 46.1495 0.0000 170.6404 113 L 5.0406 7.4336 119.9454 53.3373 45.3056 175.8797 114 D 4.8532 8.3987 118.2339 51.9613 41.2207 174.1371 115 P 4.5839 0.0000 0.0000 63.3050 32.1982 175.4382 116 V 4.8938 8.3825 124.0926 60.9918 35.1397 174.8635 117 V 4.4492 8.6992 121.8135 61.4278 32.9659 175.3659 118 K 5.7203 9.2793 123.7603 53.5873 36.1998 175.2463 119 L 5.0905 8.7478 124.4478 53.4705 43.4943 175.7507 120 L 5.3904 8.6342 125.7550 53.1224 44.3594 176.1964 121 D 4.5593 8.7400 116.0067 54.7235 42.8503 176.5183 122 A 4.8098 7.4844 128.6885 53.3801 19.9837 177.4524 123 S 4.1549 8.0825 109.3585 60.5251 62.6877 174.1442 124 G 3.9436 8.7474 106.9430 45.0801 0.0000 174.4082 125 K 3.5597 7.7734 120.3051 58.3539 32.1991 176.6054 126 V 3.6700 7.6843 125.2209 63.3214 29.3983 170.8743 127 Q 4.2931 9.8999 125.3699 58.2003 29.8011 175.7239 128 E 4.9545 8.2772 118.4777 54.8082 32.9745 174.6647 129 T 4.8339 8.7151 121.5862 61.8809 70.7617 173.4656 130 L 4.2837 8.3551 126.8041 52.2591 45.0907 176.2363 131 S 4.4805 8.1028 119.1042 57.6018 63.0889 173.9284 132 I 4.6940 8.0703 122.5612 60.9438 37.4535 176.5819 133 T 3.2418 7.4300 112.0587 62.6537 69.2159 173.7760 134 K 4.1485 8.0789 126.6835 58.3256 34.9989 177.1513 135 W 4.3527 7.3597 127.3613 59.0259 32.3327 174.7545 136 N 4.7345 8.0988 113.1708 53.7873 44.2201 174.8245 137 T 3.1068 8.7199 112.5586 62.2293 67.1374 168.7847 138 D 4.6262 8.0038 120.0331 55.1793 41.3976 174.8970 139 T 3.9624 7.8162 116.2977 66.6151 68.7628 176.5375 140 V 3.5011 7.2527 120.2411 64.8438 30.8507 177.7973 141 E 3.7608 8.2225 120.5697 59.1126 29.1951 178.5739 142 E 3.9495 8.0286 118.5956 58.7010 29.6155 178.1727 143 F 4.1166 8.1574 121.3543 61.7771 39.1581 177.0896 144 F 4.1746 7.8793 116.7712 60.2137 38.7520 177.1553 145 E 2.6140 7.5241 117.0028 59.3084 28.9475 179.0243 146 T 4.1147 7.7343 109.9402 64.6769 69.7990 176.6845 147 H 4.2174 8.4918 119.9025 56.2440 28.5645 175.5688 148 L 4.4932 8.2387 121.5342 53.1379 43.3364 175.2786 149 A 4.6084 8.1037 121.7507 50.4808 21.1275 177.8848 150 K 4.4257 8.3363 125.0345 55.9702 29.9125 177.5335 151 D 4.3277 8.0020 120.5659 55.6721 41.8704 176.9604 152 G 3.4325 7.9414 104.4799 46.2721 0.0000 173.8965 153 A 4.0061 7.9789 114.5170 52.7238 17.8817 178.6287 154 G 3.2929 7.9693 108.1743 46.1402 0.0000 172.1107 155 K 3.8038 9.0204 123.4610 55.3384 33.1792 176.5457 156 N 4.5291 8.5575 121.8555 53.2183 36.7424 173.5529 157 S 4.7478 7.5730 119.3760 55.3003 66.2336 173.2062 158 Y 4.2692 7.8654 118.4912 58.4129 37.0169 175.1538 159 S 4.5344 7.9676 117.1230 57.9016 67.9985 176.1029 160 V 4.3728 7.3440 116.4727 58.8578 34.8127 175.3032 161 V 3.4423 8.3547 119.5399 64.0628 31.0528 175.7384 162 E 4.2801 8.4941 126.6435 54.7116 30.7244 174.7900 163 D 4.3279 8.4722 119.0645 55.1571 40.3566 175.0088 164 A 4.6115 7.9424 127.0946 50.7559 22.2538 175.1464 165 D 4.6127 8.7367 118.2286 56.1365 44.2146 174.2320 166 G 4.1888 8.3778 114.3838 44.6769 0.0000 175.1967 167 D 4.9948 8.7009 122.7768 52.2884 42.7284 175.7159 168 D 4.5050 7.6513 124.6914 52.3220 39.3405 175.2658 169 D 4.6754 7.5766 117.5309 55.2561 42.2569 175.3538 170 E 4.3557 8.4613 125.2977 55.3689 30.6806 176.9416 171 D 4.5674 8.5411 113.7925 54.3884 39.9654 176.7981 172 Y 3.3338 8.4710 128.6411 58.8978 38.9663 170.0906 173 L 4.4555 7.6449 116.9937 52.8855 43.3419 176.0538 174 R 4.1586 8.4656 123.3844 55.9522 29.9075 177.2365 175 T 3.8356 8.6272 114.7550 62.6350 69.2338 171.3669 176 N 4.1039 8.3401 126.5780 53.0920 39.6064 174.5836 177 R 4.6649 8.1049 123.5424 54.5917 32.0635 174.8518 178 I 3.8364 7.9013 120.8031 61.1056 37.9061 175.5364 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 53 M 8.30 4.37 0.00 1.96 2.16 0.00 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.61 0.00 54 A 8.14 4.05 1.30 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 0.00 0.00 55 S 7.30 4.58 0.00 3.88 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 56 H 7.52 4.54 0.00 3.02 3.11 0.00 5.67 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 57 H 8.16 4.56 0.00 3.07 3.16 0.00 5.76 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 H 8.30 4.29 0.00 3.15 3.32 0.00 5.86 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 59 H 7.59 4.71 0.00 3.12 3.25 0.00 5.68 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 H 8.05 4.67 0.00 3.12 3.27 0.00 5.83 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 61 H 7.63 4.22 0.00 3.31 3.34 0.00 5.95 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 L 7.34 4.33 0.00 1.54 1.61 0.92 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 0.00 0.00 0.00 0.00 0.00 0.00 63 D 7.80 4.69 0.00 2.59 2.44 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 64 Q 8.80 3.92 0.00 2.02 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 5.70 0.00 0.00 0.00 0.00 0.00 2.32 2.35 0.00 65 Q 8.55 3.57 0.00 2.29 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.60 0.00 0.00 0.00 0.00 0.00 2.24 2.26 0.00 66 P 0.00 4.29 0.00 2.19 2.01 0.00 3.78 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.95 0.00 67 A 8.62 4.24 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 68 A 7.50 4.57 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 Q 8.61 4.46 0.00 2.11 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.64 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 70 R 8.12 3.63 0.00 1.95 2.03 0.00 3.10 0.00 0.00 3.39 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.69 0.00 71 T 7.64 4.13 4.27 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 1.25 0.00 0.00 72 Y 9.08 4.49 0.00 2.82 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 73 A 8.60 4.30 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 74 K 7.60 4.87 0.00 1.84 1.64 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.82 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.34 1.37 7.81 75 A 8.19 4.98 1.39 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 0.00 0.00 76 I 9.01 4.57 1.89 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.73 0.91 0.00 0.00 77 L 8.38 5.06 0.00 1.76 1.54 1.25 1.38 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 78 E 8.77 4.68 0.00 2.06 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 2.33 2.31 0.00 79 V 8.93 4.51 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 0.89 0.00 0.00 1.24 0.00 0.00 80 C 8.85 4.73 0.00 3.07 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 81 T 8.03 3.50 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 0.80 0.00 0.00 82 C 7.69 4.56 0.00 3.10 3.20 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 0.00 83 K 7.76 4.06 0.00 1.11 1.51 0.00 1.52 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.65 1.49 7.81 84 F 8.24 4.08 0.00 2.84 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 85 R 8.02 3.94 0.00 1.77 1.85 0.00 3.31 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 86 A 7.75 4.07 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 Y 7.61 4.95 0.00 2.99 2.82 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 88 P 0.00 3.89 0.00 1.86 1.90 0.00 3.89 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 1.90 1.83 0.00 89 Q 8.06 4.14 0.00 2.33 2.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.93 6.86 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 90 I 7.03 3.86 2.17 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.96 1.05 0.00 0.00 91 Q 8.41 3.68 0.00 2.18 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.00 6.43 0.00 0.00 0.00 0.00 0.00 2.50 2.39 0.00 92 A 7.59 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 93 F 8.26 4.32 0.00 3.54 3.42 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 94 I 6.42 3.66 1.74 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.36 0.95 0.00 0.00 95 Q 8.48 4.15 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.85 6.67 0.00 0.00 0.00 0.00 0.00 2.34 2.57 0.00 96 S 7.73 4.30 0.00 4.08 4.19 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 97 G 7.90 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 98 R 8.33 3.83 0.00 2.10 2.01 0.00 3.21 0.00 0.00 3.41 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.86 0.00 99 P 0.00 2.97 0.00 2.12 2.13 0.00 3.51 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.53 0.00 100 A 7.11 3.97 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 0.00 101 K 7.33 4.36 0.00 1.92 1.99 0.00 1.76 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.48 1.71 7.81 102 F 7.52 4.84 0.00 3.10 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 0.00 103 P 0.00 4.32 0.00 2.19 2.20 0.00 3.87 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.02 0.00 104 N 8.23 4.57 0.00 2.88 2.92 0.00 0.00 6.68 6.76 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 0.00 105 L 7.41 4.73 0.00 1.51 1.72 -0.19 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 106 Q 7.91 3.90 0.00 1.99 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 5.96 0.00 0.00 0.00 0.00 0.00 2.29 2.33 0.00 107 I 7.40 3.05 1.72 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 1.17 0.72 0.89 0.00 0.00 108 K 7.60 3.86 0.00 1.75 1.61 0.00 1.55 0.00 0.00 1.60 0.00 0.00 2.85 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.34 1.29 7.81 109 Y 7.66 5.88 0.00 2.88 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 0.00 110 V 7.61 3.56 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 0.89 0.00 0.00 0.98 0.00 0.00 111 R 8.57 4.03 0.00 1.83 2.09 0.00 3.49 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.63 0.00 112 G 6.85 4.98 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 0.00 0.00 0.00 0.00 0.00 0.00 113 L 7.43 5.04 0.00 1.64 1.63 0.94 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 114 D 8.40 4.85 0.00 2.87 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 P 0.00 4.58 0.00 2.22 2.21 0.00 3.79 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.30 0.00 116 V 8.38 4.89 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.95 0.00 0.00 117 V 8.70 4.45 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 0.72 0.00 0.00 0.94 0.00 0.00 118 K 9.28 5.72 0.00 1.89 1.72 0.00 1.67 0.00 0.00 1.78 0.00 0.00 2.83 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.41 1.48 7.81 119 L 8.75 5.09 0.00 1.55 1.54 0.96 -0.37 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 0.00 120 L 8.63 5.39 0.00 1.68 1.66 1.01 1.00 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 0.00 121 D 8.74 4.56 0.00 2.61 2.65 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 0.00 0.00 0.00 0.00 122 A 7.48 4.81 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 0.00 123 S 8.08 4.15 0.00 3.85 3.91 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 0.00 124 G 8.75 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 0.00 125 K 7.77 3.56 0.00 1.74 1.85 0.00 1.80 0.00 0.00 1.65 0.00 0.00 2.98 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.48 7.81 126 V 7.68 3.67 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 0.80 0.00 0.00 1.06 0.00 0.00 127 Q 9.90 4.29 0.00 2.57 2.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.91 6.55 0.00 0.00 0.00 0.00 0.00 2.51 2.48 0.00 128 E 8.28 4.95 0.00 1.94 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 129 T 8.72 4.83 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 1.19 0.00 0.00 130 L 8.36 4.28 0.00 1.04 0.13 0.90 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 131 S 8.10 4.48 0.00 3.70 3.48 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 0.00 132 I 8.07 4.69 1.93 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.88 1.00 0.00 0.00 133 T 7.43 3.24 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 1.25 0.00 0.00 134 K 8.08 4.15 0.00 1.83 1.85 0.00 1.62 0.00 0.00 1.65 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.09 1.22 7.81 135 W 7.36 4.35 0.00 3.32 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 136 N 8.10 4.73 0.00 2.39 2.63 0.00 0.00 6.73 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 0.00 137 T 8.72 3.11 4.26 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 1.28 0.00 0.00 138 D 8.00 4.63 0.00 2.98 2.52 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 0.00 139 T 7.82 3.96 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 1.19 0.00 0.00 140 V 7.25 3.50 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 0.67 0.00 0.00 0.90 0.00 0.00 141 E 8.22 3.76 0.00 1.17 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 2.42 2.10 0.00 142 E 8.03 3.95 0.00 2.09 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.29 2.29 0.00 143 F 8.16 4.12 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 F 7.88 4.17 0.00 3.38 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 0.00 145 E 7.52 2.61 0.00 1.39 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 2.21 2.40 0.00 146 T 7.73 4.11 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 147 H 8.49 4.22 0.00 2.70 2.91 0.00 5.62 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 0.00 148 L 8.24 4.49 0.00 1.55 1.63 1.04 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 149 A 8.10 4.61 1.21 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 0.00 0.00 0.00 150 K 8.34 4.43 0.00 1.79 1.80 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.24 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.36 7.81 151 D 8.00 4.33 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 0.00 152 G 7.94 3.43 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 0.00 153 A 7.98 4.01 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 154 G 7.97 3.29 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 155 K 9.02 3.80 0.00 1.86 1.80 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.38 7.81 156 N 8.56 4.53 0.00 2.66 2.73 0.00 0.00 6.96 7.63 0.00 0.00 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 S 7.57 4.75 0.00 3.42 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 0.00 158 Y 7.87 4.27 0.00 3.05 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 0.00 159 S 7.97 4.53 0.00 3.83 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 160 V 7.34 4.37 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 0.67 0.00 0.00 0.95 0.00 0.00 161 V 8.35 3.44 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 0.94 0.00 0.00 0.94 0.00 0.00 162 E 8.49 4.28 0.00 2.01 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 2.32 2.43 0.00 163 D 8.47 4.33 0.00 2.62 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 0.00 164 A 7.94 4.61 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 0.00 165 D 8.74 4.61 0.00 2.56 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 0.00 166 G 8.38 4.19 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 0.00 167 D 8.70 4.99 0.00 2.60 2.54 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 0.00 168 D 7.65 4.51 0.00 2.77 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 0.00 169 D 7.58 4.68 0.00 2.61 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 0.00 170 E 8.46 4.36 0.00 2.01 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.29 0.00 171 D 8.54 4.57 0.00 2.77 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 0.00 172 Y 8.47 3.33 0.00 2.96 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 0.00 173 L 7.64 4.46 0.00 1.34 1.44 0.75 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 174 R 8.47 4.16 0.00 1.82 1.94 0.00 3.42 0.00 0.00 3.37 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.60 0.00 175 T 8.63 3.84 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 1.25 0.00 0.00 176 N 8.34 4.10 0.00 2.85 2.85 0.00 0.00 6.75 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 0.00 177 R 8.10 4.66 0.00 1.79 1.80 0.00 3.28 0.00 0.00 3.16 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.62 0.00 178 I 7.90 3.84 1.87 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.75 0.91 0.00 0.00