NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1801 8.1627 120.2941 54.7255 33.0688 174.0109 2 K 3.9195 8.5303 128.6043 56.2057 32.7112 175.0042 3 G 4.0149 8.3547 115.9797 44.4349 0.0000 171.7118 4 D 4.5176 8.4195 119.3814 53.9867 41.8022 177.3351 5 K 3.9680 8.9122 126.4706 59.7489 32.2340 179.0268 6 I 3.6834 7.7492 119.8312 63.8809 36.9503 178.5850 7 V 3.6595 7.7920 118.9110 66.1186 31.5133 178.0403 8 I 3.8151 7.8620 119.5846 64.3261 36.8964 178.4568 9 Q 3.9355 8.0364 118.9848 59.2007 28.5165 178.3995 10 H 3.9789 8.2800 117.2119 58.8539 28.7996 177.4384 11 L 3.9838 8.3369 120.9606 58.3726 41.7111 179.5391 12 N 4.3154 8.7023 116.2050 56.1274 38.5177 177.4647 13 K 3.9072 7.9127 120.8898 59.7107 32.3951 179.0012 14 I 3.7396 7.8976 120.0594 64.1539 36.9295 178.1799 15 L 4.0372 8.0771 121.5136 58.0136 41.9405 179.1810 16 G 3.6324 7.8391 105.1870 47.8658 0.0000 175.0096 17 N 4.2474 7.9666 118.8707 56.2118 38.5711 177.0597 18 E 3.8867 8.0966 119.4244 59.6744 29.5089 179.3148 19 L 3.9143 7.9081 118.6716 58.0324 41.6156 179.8646 20 I 3.6384 7.6873 119.0951 64.2523 37.0844 178.0886 21 A 3.3327 7.6263 121.4754 55.1113 18.1011 179.2758 22 I 3.5026 7.7338 118.4307 64.9278 37.1640 178.2674 23 N 4.3292 7.7612 116.6700 56.3319 38.4439 177.2522 24 Q 3.8942 8.0430 120.8827 59.6544 29.1621 178.1560 25 Y 4.4088 8.3746 118.0761 60.9402 37.7681 178.1995 26 F 3.8994 8.5038 121.9174 60.9097 39.4556 177.0479 27 L 3.9644 8.3132 120.1526 58.6238 41.9134 178.4787 28 H 3.8722 8.2546 115.9077 58.7425 28.5563 177.5147 29 A 4.0875 8.2954 122.7109 55.5177 18.2457 180.0860 30 R 3.7771 7.9394 116.2212 59.0956 29.7681 179.4427 31 M 3.4638 7.5183 118.3446 58.1884 32.1725 177.9307 32 Y 4.5356 7.5596 116.9113 61.2046 38.2165 178.0695 33 E 3.9420 8.3188 120.2524 59.6935 29.4377 178.5401 34 D 4.3623 7.9499 116.5161 56.3473 41.3147 177.1702 35 W 4.9774 7.9744 117.2333 56.4262 29.6449 177.0774 36 G 4.0121 8.1592 107.9943 45.5026 0.0000 174.0476 37 L 4.6396 7.6159 121.7309 52.7711 40.0947 176.5014 38 E 3.9431 8.4437 123.5184 59.5807 29.9421 178.9779 39 K 3.8824 8.1818 118.1096 59.6365 32.1811 179.0975 40 L 3.9982 7.8109 119.8018 58.1270 42.0224 179.0542 41 G 4.3484 8.1862 107.0567 47.1797 0.0000 175.6129 42 K 3.9369 8.4103 122.3302 59.5490 32.2075 178.2611 43 H 3.7149 8.2402 118.4130 59.4396 29.7614 176.8719 44 E 3.8490 8.5989 120.6490 59.5564 29.2545 179.0053 45 Y 3.9010 8.0922 119.4455 60.9874 38.9182 177.7108 46 H 3.9263 8.2812 117.0426 59.0646 28.9433 177.4741 47 E 3.8857 8.2259 120.5206 59.4690 29.1433 179.7241 48 S 4.1679 7.7450 112.6486 61.5504 62.5516 176.2288 49 I 3.5996 7.4092 122.4697 64.1933 36.7100 177.9769 50 D 4.3087 8.3724 120.2468 57.7228 40.7487 179.0182 51 E 3.9108 7.9858 118.0303 59.4319 29.3509 179.4047 52 M 4.0627 7.8664 119.1235 58.1232 31.9689 178.9036 53 K 4.0080 8.1100 118.8480 59.5481 32.2031 178.9927 54 H 4.1909 8.3416 116.3235 58.9884 28.6070 177.5410 55 A 3.9837 8.1091 122.3478 55.3029 18.2004 179.0913 56 D 4.2561 8.1407 116.4103 57.4253 41.1931 178.7226 57 K 3.9861 8.2253 118.9250 59.3884 32.0991 179.3181 58 L 3.9795 7.8949 119.1969 57.8269 41.4825 179.3566 59 I 3.6688 7.9463 119.9128 64.6234 37.0794 178.4898 60 K 3.9553 8.0530 118.9057 59.5521 31.8787 179.4004 61 R 4.0098 8.2959 119.0381 59.4453 30.0099 178.6243 62 I 3.7250 8.3822 119.9293 64.3652 37.1117 178.3121 63 L 4.0041 8.2302 120.0773 57.8324 41.2602 179.3776 64 F 4.3869 8.2188 119.2646 61.3305 39.7194 176.5700 65 L 4.2275 7.9873 117.0942 53.8127 41.5774 176.6028 66 E 3.6149 8.1440 117.5905 57.8946 27.0568 173.3016 67 G 4.1185 8.0363 106.4053 43.6539 0.0000 172.2927 68 L 4.5566 8.0785 118.8613 52.0650 42.4963 175.2762 69 P 4.3951 0.0000 0.0000 62.4518 31.8339 176.0780 70 N 4.7131 8.9093 121.5915 52.2598 38.4877 174.2267 71 L 4.4036 8.1246 124.0401 54.6380 42.1388 178.0462 72 Q 4.0112 7.6143 120.2400 58.7516 29.5800 175.6342 73 E 4.0766 8.7769 118.9572 56.1458 30.2012 176.5504 74 L 4.5785 8.2476 124.2510 53.0176 44.5874 176.5906 75 G 3.8356 8.4610 115.2696 44.1839 0.0000 172.1299 76 K 4.0193 8.3432 120.6540 56.1082 32.1811 176.5883 77 L 4.1987 8.3813 126.8149 54.6059 42.2730 177.3394 78 L 4.5279 8.2084 122.9996 53.2816 41.0327 175.0116 79 I 4.2822 8.0335 123.4527 60.0075 38.3598 176.2468 80 G 4.1314 8.6121 113.5188 44.3785 0.0000 172.8941 81 E 4.7204 8.7484 117.3670 56.6018 31.4379 176.6604 82 H 5.0117 7.6218 113.4517 53.1950 33.0731 173.6932 83 T 4.2402 8.5791 118.0651 67.3662 68.3852 175.9956 84 K 3.8709 8.2915 120.4763 59.7987 32.1938 178.3709 85 E 4.1834 7.9253 120.1678 59.0696 29.5834 178.4720 86 M 4.0449 8.4140 119.0658 58.3218 31.8722 178.8203 87 L 4.1022 8.2365 119.1823 57.7282 41.3085 179.2959 88 E 3.9585 8.1823 118.4959 59.7905 29.4958 179.0130 89 C 4.1322 8.4546 117.0115 63.2662 28.1397 176.2040 90 D 4.6214 8.1508 119.8511 57.2049 40.4554 178.5668 91 L 4.0046 8.3117 121.2028 57.8919 42.0427 178.7270 92 K 3.8656 8.6936 119.9398 59.6115 31.9213 178.3370 93 L 4.0061 7.8535 118.8738 58.4172 40.9156 178.6510 94 E 4.2304 8.7099 118.1998 58.8226 29.3329 179.0805 95 Q 4.3509 8.0115 117.9974 58.1235 29.0408 177.4605 96 A 4.3075 8.2065 117.9339 52.6824 18.4939 178.4706 97 G 4.0159 8.0883 107.8632 46.0884 0.0000 176.1312 98 L 4.0054 7.2735 119.1095 57.5971 41.6711 177.4608 99 P 4.2527 0.0000 0.0000 66.0933 31.1863 178.3368 100 D 4.3620 8.0385 116.8757 57.2668 40.8222 178.5108 101 L 4.0144 7.7247 119.0597 57.9148 41.6156 179.8555 102 K 4.0083 8.5409 118.5441 59.2760 32.1056 179.3833 103 A 4.0312 8.3764 121.0500 54.7335 18.1350 179.6393 104 A 3.7589 7.9787 119.6192 55.1598 18.6199 179.7928 105 I 3.6232 7.9507 118.2293 64.5606 37.3158 178.3507 106 A 4.0024 8.1364 121.5513 55.3807 18.2449 179.1136 107 Y 3.7157 7.8103 117.5088 61.0726 38.9647 177.7267 108 C 3.9685 8.4115 117.9931 62.9084 28.3103 176.0240 109 E 3.8882 8.1282 120.1727 59.5328 28.9016 179.5906 110 S 4.0540 7.3735 112.1217 60.7468 62.8969 175.9431 111 V 4.0906 6.8733 112.7319 60.0301 31.6129 176.3775 112 G 3.0453 7.0681 105.4361 46.4624 0.0000 175.7300 113 D 4.4759 7.3370 121.2658 52.8102 38.2303 176.1488 114 Y 4.2834 7.4036 121.2673 60.5936 38.4917 177.7929 115 A 4.0630 8.0768 121.3462 55.4080 18.6395 179.7442 116 S 4.1612 8.2836 113.2010 61.5690 62.8113 176.6927 117 R 3.9229 7.8346 121.1954 59.5428 29.8122 178.4841 118 E 3.9795 8.1749 118.3010 59.0368 29.5049 179.0229 119 L 3.8987 7.7961 120.2844 58.2347 42.2134 178.9483 120 L 3.9865 8.0300 118.8239 57.8646 41.5655 179.2594 121 E 3.9624 8.4187 118.6073 59.6201 29.4742 179.0872 122 D 4.3210 7.9919 118.5487 57.6702 40.9155 178.9931 123 I 3.5975 7.5972 118.1948 63.4613 37.8564 177.7345 124 L 3.9132 8.1951 122.0117 58.3263 41.8710 178.7676 125 E 4.0113 8.5943 118.8551 59.4670 29.3528 179.4555 126 S 4.1823 7.9844 113.2465 61.2209 62.4335 175.9872 127 E 3.9762 8.3606 121.6317 59.5676 29.2607 179.2455 128 E 4.0498 8.3325 118.4380 59.3852 29.4982 179.0714 129 D 4.5233 7.7716 117.6126 57.2856 40.8855 178.4670 130 H 4.5753 8.1797 117.0599 58.9465 28.6958 177.8578 131 I 3.9127 8.1751 121.8233 64.1157 36.8345 177.8869 132 D 4.3169 8.2584 119.1455 57.0256 41.1269 177.6805 133 W 4.2223 8.2423 128.6065 60.7310 30.7003 177.4819 134 L 3.7227 8.2212 118.5000 58.1548 41.1390 179.4337 135 E 3.8849 8.2728 117.9150 59.8721 29.4296 179.4698 136 T 3.7505 8.1280 115.9435 66.8403 68.4440 176.6225 137 Q 3.5043 7.5353 119.5517 58.7297 28.4676 178.4229 138 L 3.7212 7.3089 118.5646 57.9929 42.0862 178.9517 139 D 4.3365 8.0912 117.8065 56.9724 41.0336 177.9174 140 L 3.8492 7.5408 120.9486 58.2865 41.9443 178.8646 141 I 3.4411 7.6322 119.9922 64.3748 36.7753 177.4058 142 D 4.5531 7.5905 116.7821 55.2786 40.9919 178.1193 143 K 4.2533 7.9316 119.2475 57.8566 32.8643 177.9160 144 I 4.2870 7.8333 109.4699 59.4849 39.1585 176.4364 145 G 4.0420 7.5019 107.4616 45.9857 0.0000 174.1522 146 L 3.9623 8.5954 122.6846 58.1932 42.0522 179.1920 147 E 3.9378 8.2361 117.7641 59.8145 29.3877 179.1907 148 N 4.3469 8.1015 115.7066 56.2413 38.4530 176.7081 149 Y 4.0119 8.1866 120.4047 60.6971 39.2549 177.7968 150 L 3.9412 8.5261 120.1155 57.7493 41.8009 179.0270 151 Q 3.9171 8.0649 119.4314 59.7021 28.7044 179.0086 152 S 4.0887 7.8622 114.2722 61.4908 63.0044 176.2061 153 Q 4.0753 7.7913 119.7762 57.7438 28.3545 177.6451 154 M 4.3490 7.7451 121.7283 57.5934 31.8439 175.8961 155 D 4.9065 7.7505 120.7365 53.7080 41.5173 175.9865 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 8.16 4.18 0.00 1.34 1.80 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.39 0.00 2 K 8.53 3.92 0.00 1.83 1.66 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.46 7.81 3 G 8.35 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 4 D 8.42 4.52 0.00 2.85 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 5 K 8.91 3.97 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.80 0.00 0.00 2.91 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.47 1.51 7.81 6 I 7.75 3.68 1.93 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 1.30 0.43 -0.01 0.00 0.00 7 V 7.79 3.66 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 1.13 0.00 0.00 1.16 0.00 0.00 8 I 7.86 3.82 1.99 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 1.51 0.58 0.90 0.00 0.00 9 Q 8.04 3.94 0.00 2.17 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.80 0.00 0.00 0.00 0.00 0.00 2.32 2.50 0.00 10 H 8.28 3.98 0.00 3.37 3.30 0.00 5.65 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 11 L 8.34 3.98 0.00 1.97 1.76 1.00 0.74 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 12 N 8.70 4.32 0.00 2.85 2.85 0.00 0.00 6.74 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 13 K 7.91 3.91 0.00 1.80 1.98 0.00 1.60 0.00 0.00 1.62 0.00 0.00 3.15 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.46 7.81 14 I 7.90 3.74 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 1.42 0.64 0.92 0.00 0.00 15 L 8.08 4.04 0.00 1.87 1.84 0.91 0.92 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 16 G 7.84 3.63 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 N 7.97 4.25 0.00 3.04 2.89 0.00 0.00 7.07 7.25 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 18 E 8.10 3.89 0.00 2.11 1.99 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 2.59 2.53 0.00 19 L 7.91 3.91 0.00 1.82 1.69 0.89 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 20 I 7.69 3.64 2.02 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 1.46 0.78 0.87 0.00 0.00 21 A 7.63 3.33 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.73 3.50 1.94 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.96 0.84 0.00 0.00 23 N 7.76 4.33 0.00 2.85 2.84 0.00 0.00 6.76 7.94 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 24 Q 8.04 3.89 0.00 2.07 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.40 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.32 0.00 25 Y 8.37 4.41 0.00 2.99 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.50 3.90 0.00 3.41 3.19 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 27 L 8.31 3.96 0.00 1.83 1.77 0.91 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.25 3.87 0.00 3.38 3.16 0.00 5.68 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 29 A 8.30 4.09 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 30 R 7.94 3.78 0.00 1.73 1.90 0.00 3.16 0.00 0.00 2.88 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.84 0.00 31 M 7.52 3.46 0.00 0.82 1.60 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.60 2.20 0.00 32 Y 7.56 4.54 0.00 3.19 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 33 E 8.32 3.94 0.00 2.25 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 2.24 2.35 0.00 34 D 7.95 4.36 0.00 2.66 2.40 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 35 W 7.97 4.98 0.00 3.69 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 36 G 8.16 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 37 L 7.62 4.64 0.00 2.09 1.65 1.25 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 38 E 8.44 3.94 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 2.33 2.42 0.00 39 K 8.18 3.88 0.00 1.92 1.92 0.00 1.75 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.41 7.81 40 L 7.81 4.00 0.00 1.45 0.98 1.05 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.39 0.00 0.00 0.00 0.00 0.00 0.00 41 G 8.19 4.35 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 42 K 8.41 3.94 0.00 1.89 1.95 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.83 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.32 1.42 7.81 43 H 8.24 3.71 0.00 3.20 3.15 0.00 5.85 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 44 E 8.60 3.85 0.00 2.30 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 0.00 2.68 3.11 0.00 45 Y 8.09 3.90 0.00 3.06 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 46 H 8.28 3.93 0.00 3.23 3.22 0.00 5.89 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 47 E 8.23 3.89 0.00 1.95 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 2.02 2.10 0.00 48 S 7.74 4.17 0.00 4.09 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 49 I 7.41 3.60 1.73 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 1.31 0.15 0.82 0.00 0.00 50 D 8.37 4.31 0.00 2.86 2.70 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.99 3.91 0.00 2.04 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 2.70 2.25 0.00 52 M 7.87 4.06 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.51 0.00 53 K 8.11 4.01 0.00 1.97 1.86 0.00 1.66 0.00 0.00 1.64 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.44 1.69 7.81 54 H 8.34 4.19 0.00 3.42 3.34 0.00 5.65 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 55 A 8.11 3.98 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 56 D 8.14 4.26 0.00 2.92 2.85 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 0.00 0.00 0.00 57 K 8.23 3.99 0.00 2.02 1.85 0.00 1.74 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.47 1.71 7.81 58 L 7.89 3.98 0.00 1.87 1.72 0.93 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 59 I 7.95 3.67 2.04 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 1.52 0.98 0.92 0.00 0.00 60 K 8.05 3.96 0.00 1.97 1.87 0.00 1.66 0.00 0.00 1.57 0.00 0.00 3.31 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.55 7.81 61 R 8.30 4.01 0.00 2.04 2.13 0.00 3.34 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 62 I 8.38 3.72 2.06 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 1.53 0.80 0.91 0.00 0.00 63 L 8.23 4.00 0.00 2.06 1.79 0.93 1.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.22 4.39 0.00 2.94 3.30 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 65 L 7.99 4.23 0.00 2.02 1.61 0.85 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.14 3.61 0.00 2.03 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 2.19 2.30 0.00 67 G 8.04 4.12 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 0.00 0.00 0.00 68 L 8.08 4.56 0.00 1.61 1.61 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.40 0.00 2.03 1.98 0.00 3.63 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 2.03 2.07 0.00 70 N 8.91 4.71 0.00 2.63 2.72 0.00 0.00 7.13 8.15 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 71 L 8.12 4.40 0.00 1.65 1.66 0.90 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 7.61 4.01 0.00 1.97 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.02 6.92 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 73 E 8.78 4.08 0.00 1.97 1.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.33 2.23 0.00 74 L 8.25 4.58 0.00 1.51 1.47 0.89 1.02 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 75 G 8.46 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 76 K 8.34 4.02 0.00 1.73 1.76 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.43 1.47 7.81 77 L 8.38 4.20 0.00 1.68 1.57 0.91 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 78 L 8.21 4.53 0.00 1.86 1.68 0.97 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 79 I 8.03 4.28 1.91 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 1.37 0.79 0.96 0.00 0.00 80 G 8.61 4.13 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 0.00 0.00 0.00 81 E 8.75 4.72 0.00 2.01 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 2.30 2.32 0.00 82 H 7.62 5.01 0.00 3.24 3.29 0.00 5.69 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.58 4.24 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 1.47 0.00 0.00 84 K 8.29 3.87 0.00 1.85 1.96 0.00 1.70 0.00 0.00 1.76 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.48 7.81 85 E 7.93 4.18 0.00 1.62 1.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.23 0.00 86 M 8.41 4.04 0.00 1.94 2.39 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.20 0.00 87 L 8.24 4.10 0.00 1.85 1.68 0.90 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 88 E 8.18 3.96 0.00 2.21 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 2.33 2.60 0.00 89 C 8.45 4.13 0.00 3.22 3.38 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 90 D 8.15 4.62 0.00 2.92 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 91 L 8.31 4.00 0.00 1.87 1.86 0.96 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 92 K 8.69 3.87 0.00 1.93 2.05 0.00 1.73 0.00 0.00 1.60 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.48 1.49 7.81 93 L 7.85 4.01 0.00 1.94 2.04 0.96 0.84 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 94 E 8.71 4.23 0.00 2.33 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 2.73 2.70 0.00 95 Q 8.01 4.35 0.00 2.29 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 7.02 0.00 0.00 0.00 0.00 0.00 2.38 2.65 0.00 96 A 8.21 4.31 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.09 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 0.00 0.00 0.00 98 L 7.27 4.01 0.00 1.81 1.76 0.95 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 99 P 0.00 4.25 0.00 2.17 2.15 0.00 3.64 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.23 0.00 100 D 8.04 4.36 0.00 2.88 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 0.00 101 L 7.72 4.01 0.00 1.94 1.73 0.93 0.82 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 0.00 102 K 8.54 4.01 0.00 1.79 1.87 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.47 1.59 7.81 103 A 8.38 4.03 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 0.00 104 A 7.98 3.76 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 0.00 105 I 7.95 3.62 1.89 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 1.47 0.93 0.93 0.00 0.00 106 A 8.14 4.00 1.42 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 0.00 0.00 107 Y 7.81 3.72 0.00 3.19 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 0.00 108 C 8.41 3.97 0.00 3.13 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 0.00 109 E 8.13 3.89 0.00 2.19 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 2.37 2.50 0.00 110 S 7.37 4.05 0.00 3.83 3.79 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 0.00 111 V 6.87 4.09 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.20 0.00 0.00 0.81 0.00 0.00 112 G 7.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.34 4.48 0.00 2.74 2.50 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 0.00 114 Y 7.40 4.28 0.00 3.09 2.93 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 0.00 0.00 0.00 115 A 8.08 4.06 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 0.00 116 S 8.28 4.16 0.00 4.11 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 0.00 117 R 7.83 3.92 0.00 1.91 2.24 0.00 3.16 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.72 0.00 118 E 8.17 3.98 0.00 2.24 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 2.62 2.49 0.00 119 L 7.80 3.90 0.00 1.77 1.85 0.94 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 L 8.03 3.99 0.00 1.88 1.71 0.94 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 121 E 8.42 3.96 0.00 2.23 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 2.35 2.53 0.00 122 D 7.99 4.32 0.00 2.88 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 0.00 123 I 7.60 3.60 1.38 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 1.34 1.60 0.88 0.00 0.00 124 L 8.20 3.91 0.00 1.85 1.83 0.94 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 125 E 8.59 4.01 0.00 2.14 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 2.34 2.55 0.00 126 S 7.98 4.18 0.00 3.94 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 0.00 127 E 8.36 3.98 0.00 2.17 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.53 0.00 128 E 8.33 4.05 0.00 2.05 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 2.36 2.54 0.00 129 D 7.77 4.52 0.00 2.93 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.18 4.58 0.00 3.49 3.43 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 I 8.18 3.91 2.10 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 1.50 1.00 0.96 0.00 0.00 132 D 8.26 4.32 0.00 3.02 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 0.00 133 W 8.24 4.22 0.00 3.51 3.44 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 0.00 134 L 8.22 3.72 0.00 1.97 1.74 1.04 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.27 3.88 0.00 2.10 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 2.33 2.64 0.00 136 T 8.13 3.75 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 1.12 0.00 0.00 137 Q 7.54 3.50 0.00 1.57 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.75 0.00 0.00 0.00 0.00 0.00 1.20 1.16 0.00 138 L 7.31 3.72 0.00 1.64 1.63 0.87 0.84 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 0.00 139 D 8.09 4.34 0.00 2.71 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 7.54 3.85 0.00 1.91 1.43 0.89 1.02 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 0.00 141 I 7.63 3.44 1.79 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.25 0.80 0.00 0.00 142 D 7.59 4.55 0.00 2.73 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 0.00 143 K 7.93 4.25 0.00 1.80 1.83 0.00 1.63 0.00 0.00 1.73 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.39 1.68 7.81 144 I 7.83 4.29 1.89 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 1.83 0.68 0.92 0.00 0.00 145 G 7.50 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 0.00 0.00 0.00 146 L 8.60 3.96 0.00 1.75 1.68 0.98 0.90 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 0.00 147 E 8.24 3.94 0.00 2.09 1.99 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 2.39 2.46 0.00 148 N 8.10 4.35 0.00 3.08 2.88 0.00 0.00 6.71 7.48 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 0.00 149 Y 8.19 4.01 0.00 2.93 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 0.00 150 L 8.53 3.94 0.00 1.66 1.67 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.06 3.92 0.00 2.17 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.40 0.00 152 S 7.86 4.09 0.00 3.83 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 0.00 153 Q 7.79 4.08 0.00 1.97 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.76 0.00 0.00 0.00 0.00 0.00 1.76 1.91 0.00 154 M 7.75 4.35 0.00 2.08 2.16 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.41 0.00 155 D 7.75 4.91 0.00 2.61 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