NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1C H 4.8026 8.4449 117.8380 56.2479 29.9997 172.9039 1D H 4.5816 8.7247 118.2690 55.8102 29.7553 173.0826 1E H 5.0993 7.6324 115.3696 53.5520 33.4793 171.9747 1F H 4.6399 8.9012 116.9675 55.9498 28.9888 174.3659 1G F 4.8525 8.4278 119.5094 57.8206 39.8622 174.2482 2 N 4.6505 8.5176 117.3960 52.3158 38.9859 174.5132 3 L 4.7835 8.0583 123.4132 51.9816 44.0143 174.7301 4 P 4.6260 0.0000 0.0000 61.6464 33.1157 175.7354 5 P 4.6383 0.0000 0.0000 60.7596 30.7871 176.4990 6 G 3.8234 8.5028 106.1061 46.7234 0.0000 169.7011 7 N 3.9585 7.8298 114.3049 53.0857 39.2835 174.1262 8 Y 4.8769 8.0870 118.1614 58.2726 38.7658 176.5789 9 K 4.0933 8.6813 122.2296 58.6983 32.2584 177.1952 10 K 4.7248 7.6380 115.2916 53.3499 35.2755 173.7404 11 P 4.7879 0.0000 0.0000 63.2598 32.4207 175.2087 12 K 4.8725 9.5528 119.2215 55.5185 37.3900 175.0106 13 L 5.1980 9.3712 121.9483 53.6268 44.3317 176.0907 14 L 5.2170 8.8919 121.6776 53.5570 43.9899 174.5082 15 Y 5.0722 9.4083 126.6567 56.2107 40.9535 173.7381 16 C 4.0022 8.3235 127.9005 57.3103 32.3419 174.4147 17 S 3.7886 7.6202 122.6208 60.5113 62.4059 174.6290 18 N 4.1449 7.8467 118.4281 56.3158 38.3080 175.3599 19 G 3.9383 7.0235 101.3979 43.4533 0.0000 172.2181 20 G 3.4188 7.6930 106.9999 44.8972 0.0000 173.2294 21 H 4.9993 7.2027 114.2424 53.5856 32.9937 174.1348 22 F 5.3797 9.2802 120.3983 56.1579 40.4716 175.3641 23 L 4.7233 9.4450 125.8194 55.5203 43.4030 175.6951 24 R 5.1223 9.3371 124.7666 54.9452 34.1635 173.8198 25 I 5.0365 8.3547 125.5442 59.3371 39.4964 175.6791 26 L 4.0634 8.8910 127.9969 53.5915 42.2206 176.7977 27 P 4.1974 0.0000 0.0000 65.9192 31.2536 177.2155 28 D 4.5528 7.9722 114.3647 53.5996 39.7249 176.9989 29 G 4.2744 8.5659 110.4995 45.4055 0.0000 174.0848 30 T 4.1962 8.5267 118.0637 63.5327 68.9622 173.3145 31 V 4.8422 8.0188 125.4224 61.2318 33.9914 174.3349 32 D 4.6217 8.5481 124.8539 53.0890 42.8172 174.1546 33 G 4.6087 8.3906 104.3175 45.3786 0.0000 172.5266 34 T 5.0058 8.9427 115.1843 60.5554 71.2646 174.4483 35 R 4.4558 8.8009 123.7697 56.1381 30.9179 176.4626 36 D 4.6735 8.2940 119.7300 53.1203 39.9871 176.9142 37 R 3.6741 8.6065 126.5327 58.2932 30.2187 178.0092 38 S 4.4180 8.2936 111.2718 58.1150 63.5624 174.0851 39 D 4.3885 7.9077 121.6619 54.9906 41.3369 175.7181 40 Q 4.3240 8.4255 123.1109 56.3165 29.2013 175.6568 41 H 4.7889 9.1431 115.7367 55.4676 29.3883 174.5934 42 I 4.5950 7.5139 110.4638 59.9668 38.6207 174.9077 43 Q 4.4870 7.3579 122.9903 55.0176 30.3711 174.6490 44 F 5.3701 9.1878 121.8337 55.6343 43.9277 173.5123 45 Q 4.8335 9.3992 122.7248 54.4918 31.1541 174.3080 46 L 5.6471 8.9512 126.2178 52.8002 43.8707 176.0222 47 S 4.5094 8.2366 114.8463 56.6629 66.9309 172.1620 48 A 5.3548 8.0899 122.9729 49.9687 20.0020 176.4895 49 E 4.0680 8.8277 124.1677 58.6110 30.3257 176.4656 50 S 4.7410 7.4548 112.3552 55.9093 67.1294 173.3385 51 V 3.8091 8.4059 121.3020 65.0794 31.3913 176.3991 52 G 3.9777 9.2591 115.5237 45.0694 0.0000 171.7957 53 E 5.1571 8.3518 120.2737 54.8173 31.9262 175.6285 54 V 4.8718 8.9581 116.2497 59.9975 36.9750 173.7614 55 Y 5.2884 8.7681 119.8775 56.5345 41.1542 175.3300 56 I 4.3179 8.5729 122.9601 59.5908 40.0479 173.8319 57 K 4.8884 8.5999 129.2183 54.0240 34.6159 175.2221 58 S 4.5049 9.1403 123.6845 58.7801 62.6244 174.9224 59 T 3.8128 8.3412 118.3268 64.1805 68.7588 175.7295 60 E 4.0872 8.1590 122.6162 57.9631 29.9943 176.7410 61 T 4.3189 7.8457 106.2840 60.5862 70.2095 175.4490 62 G 3.8372 8.2341 110.0166 45.4677 0.0000 173.7124 63 Q 4.5001 7.6649 118.7272 55.9495 30.4269 174.5238 64 Y 4.9297 9.1014 120.2708 56.2222 40.1870 175.1512 65 L 4.3938 9.0740 126.4952 55.3921 43.4360 175.5456 66 A 5.0633 8.5360 125.5016 50.8193 23.2338 174.4139 67 M 5.3489 8.5347 119.6429 53.8360 34.6463 175.7651 68 D 5.2707 9.5411 126.7234 52.5405 41.1163 176.8600 69 T 3.9814 8.5914 112.8647 64.8207 67.1804 173.9856 70 D 4.7362 8.7232 119.2854 53.9059 41.2172 177.1502 71 G 3.4105 8.6314 108.3735 45.0509 0.0000 173.1936 72 L 4.7297 7.7672 119.4121 53.7538 43.4099 175.8678 73 L 5.2297 8.4761 122.3878 54.5267 43.3412 175.3785 74 Y 4.9712 8.8079 119.3742 55.9912 42.0720 173.6204 75 G 4.1940 8.8877 108.5172 45.2965 0.0000 173.2999 76 S 4.9815 9.0107 121.7159 57.1572 63.7001 175.3386 77 Q 4.3813 8.9997 125.2873 58.0766 28.9950 176.1519 78 T 4.6012 7.2979 105.3639 58.4770 71.7303 171.9272 79 P 3.4444 0.0000 0.0000 62.1451 31.1566 174.7601 80 N 5.1015 7.8658 120.9345 50.3440 40.1083 174.4014 81 E 3.8300 8.7878 117.5497 59.4597 29.8083 177.7067 82 E 4.2065 8.9030 117.2176 57.0993 29.8319 177.4009 83 T 4.7719 7.6262 107.8808 60.7321 69.8503 174.3834 84 L 4.3920 7.2267 123.6066 53.8256 43.4278 175.5364 85 F 5.2651 8.8255 121.5439 55.5473 43.4333 174.1754 86 L 4.8685 9.3290 123.2070 53.9028 42.7612 175.3448 87 E 4.5547 9.0844 126.9392 55.1364 30.4718 175.5246 88 R 4.8114 8.5757 124.9777 54.1780 34.9849 174.3141 89 L 4.8133 8.6909 123.2812 54.9435 43.2794 175.6679 90 E 4.7049 9.1012 124.3973 55.2593 33.6373 174.8694 91 E 3.9568 9.7361 123.5713 57.9528 27.3410 174.3801 92 N 4.3290 8.5590 110.2314 54.1838 36.6854 174.0701 93 H 4.8165 8.5273 116.2439 57.7780 36.3552 173.5011 94 Y 4.6737 7.8747 116.0168 57.5529 40.0044 173.5619 95 N 5.5569 9.5826 118.2243 51.9133 41.3228 174.5413 96 T 5.2425 8.8808 112.7988 60.1390 72.7950 172.6709 97 Y 4.9984 8.6655 119.5079 56.6083 41.2573 174.2215 98 I 4.6047 8.5958 126.1703 59.2097 39.5311 175.5428 99 S 4.1209 8.8128 122.3838 58.5548 62.3648 173.9662 100 K 3.9455 8.6844 129.2280 59.4392 32.3347 178.4978 101 K 3.6636 7.9491 118.1133 59.3210 32.0803 177.0687 102 H 4.6477 7.8632 114.7645 54.9420 29.4306 176.3798 103 A 3.9257 7.8230 125.9311 55.2920 18.2948 180.9068 104 E 3.7061 7.9092 112.2650 58.6805 29.6634 177.7430 105 K 4.1122 7.6136 116.8614 55.4985 32.7672 175.8089 106 N 3.9439 7.5468 115.6440 53.9638 36.4474 174.6187 107 W 5.1537 7.6652 117.5974 55.8697 31.0211 177.3175 108 F 5.4047 9.2472 123.8217 55.5764 41.5165 175.3920 109 V 4.0880 8.8434 121.7517 62.6557 31.9143 175.5487 110 G 4.4796 8.6801 112.9807 45.4031 0.0000 171.4190 111 L 5.2857 7.9615 120.2877 52.5151 44.8522 177.1964 112 K 4.2341 9.2295 122.6218 55.3638 33.3397 178.3968 113 K 3.8633 8.4781 119.5520 59.4836 31.9726 178.4218 114 N 4.6430 8.0417 113.5409 52.7653 37.8022 175.9186 115 G 3.5133 8.4189 109.3370 45.2260 0.0000 173.9439 116 S 4.5981 7.9740 114.7607 57.2635 64.1996 173.6394 117 V 4.1385 8.0591 122.1777 62.9173 32.0824 175.0659 118 K 4.3123 8.6675 129.8164 55.2946 32.9540 176.4447 119 R 3.9237 8.6852 128.0113 56.3424 31.1355 176.9433 120 G 3.3616 8.6855 115.8716 48.3660 0.0000 174.1707 121 P 4.2312 0.0000 0.0000 64.2900 31.4060 177.6651 122 R 4.2240 7.7177 115.8955 56.8241 30.4601 176.5307 123 T 5.0471 7.5634 108.0423 59.7740 70.5135 173.3122 124 H 4.7136 7.8703 115.6152 55.1311 30.2018 173.2917 125 Y 3.8861 8.7646 118.1709 59.9535 38.0787 177.2033 126 G 4.0385 8.9986 111.3330 45.4562 0.0000 173.9892 127 Q 4.1978 7.3422 118.5946 55.3370 29.7193 177.0574 128 K 3.8543 8.2400 118.7316 58.2924 33.0240 179.3745 129 A 3.8376 7.7340 121.8923 54.4809 18.3524 178.5337 130 I 4.3013 7.2133 106.6360 61.2797 37.8246 175.3969 131 L 4.2763 7.2935 123.3298 53.9358 42.4772 175.8247 132 W 5.3156 9.3127 124.1436 54.8276 33.0196 175.0047 133 L 5.3398 9.2118 122.2716 52.3335 44.4922 174.0967 134 P 5.1382 0.0000 0.0000 62.6344 32.3062 175.6655 135 L 4.9417 9.1855 124.3607 51.8791 44.9545 174.4646 136 P 4.6372 0.0000 0.0000 62.7183 32.2853 176.8920 137 V 3.7493 8.2192 114.4283 61.8092 31.5637 176.3069 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1C H 8.44 4.80 0.00 3.12 3.46 0.00 5.67 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1D H 8.72 4.58 0.00 3.25 3.23 0.00 5.64 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1E H 7.63 5.10 0.00 3.15 3.31 0.00 5.71 0.00 0.00 0.00 0.00 6.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1F H 8.90 4.64 0.00 3.33 3.40 0.00 5.66 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1G F 8.43 4.85 0.00 2.94 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 N 8.52 4.65 0.00 2.98 2.79 0.00 0.00 6.87 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 8.06 4.78 0.00 1.47 1.41 0.62 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 4 P 0.00 4.63 0.00 2.16 2.13 0.00 3.68 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.92 0.00 5 P 0.00 4.64 0.00 2.17 1.88 0.00 3.89 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.93 0.00 6 G 8.50 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 7 N 7.83 3.96 0.00 2.57 2.63 0.00 0.00 5.71 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 Y 8.09 4.88 0.00 3.04 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 9 K 8.68 4.09 0.00 1.83 1.91 0.00 1.64 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.51 1.56 7.81 10 K 7.64 4.72 0.00 1.72 1.70 0.00 1.75 0.00 0.00 1.76 0.00 0.00 3.04 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.33 1.39 7.81 11 P 0.00 4.79 0.00 2.06 2.05 0.00 3.77 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 1.98 1.98 0.00 12 K 9.55 4.87 0.00 1.75 1.89 0.00 1.75 0.00 0.00 1.73 0.00 0.00 3.02 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.42 1.66 7.81 13 L 9.37 5.20 0.00 1.77 1.74 0.66 0.52 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 14 L 8.89 5.22 0.00 1.49 1.38 0.01 0.67 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 15 Y 9.41 5.07 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 16 C 8.32 4.00 0.00 1.34 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 0.00 0.00 0.00 17 S 7.62 3.79 0.00 4.13 3.71 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 18 N 7.85 4.14 0.00 2.53 2.56 0.00 0.00 6.73 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 G 7.02 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 20 G 7.69 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 0.00 0.00 0.00 21 H 7.20 5.00 0.00 2.98 3.24 0.00 5.80 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 F 9.28 5.38 0.00 3.21 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 23 L 9.45 4.72 0.00 1.70 1.54 0.89 -0.24 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 24 R 9.34 5.12 0.00 2.03 2.10 0.00 3.24 0.00 0.00 3.39 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.87 0.00 25 I 8.35 5.04 2.04 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 1.31 1.07 0.97 0.00 0.00 26 L 8.89 4.06 0.00 1.82 1.53 0.93 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 P 0.00 4.20 0.00 2.00 2.12 0.00 3.53 0.00 0.00 3.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.96 0.00 28 D 7.97 4.55 0.00 2.80 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 29 G 8.57 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 0.00 0.00 0.00 0.00 30 T 8.53 4.20 4.29 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 1.24 0.00 0.00 31 V 8.02 4.84 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 0.91 0.00 0.00 1.00 0.00 0.00 32 D 8.55 4.62 0.00 2.74 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 33 G 8.39 4.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 T 8.94 5.01 4.36 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 1.40 0.00 0.00 35 R 8.80 4.46 0.00 1.89 1.99 0.00 3.21 0.00 0.00 3.13 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.50 0.00 36 D 8.29 4.67 0.00 2.84 2.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 R 8.61 3.67 0.00 1.82 1.83 0.00 3.41 0.00 0.00 3.34 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 1.85 0.00 38 S 8.29 4.42 0.00 3.94 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 39 D 7.91 4.39 0.00 2.81 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 40 Q 8.43 4.32 0.00 1.82 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.17 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 41 H 9.14 4.79 0.00 3.25 3.38 0.00 5.77 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 I 7.51 4.59 1.94 0.00 0.00 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.08 1.06 0.00 0.00 43 Q 7.36 4.49 0.00 1.84 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.78 6.85 0.00 0.00 0.00 0.00 0.00 2.27 2.30 0.00 44 F 9.19 5.37 0.00 2.86 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 45 Q 9.40 4.83 0.00 2.08 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.77 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 46 L 8.95 5.65 0.00 1.75 1.51 0.92 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 47 S 8.24 4.51 0.00 3.87 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 48 A 8.09 5.35 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 49 E 8.83 4.07 0.00 1.64 1.78 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 2.21 2.36 0.00 50 S 7.45 4.74 0.00 4.00 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 51 V 8.41 3.81 2.34 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 0.96 0.00 0.00 1.04 0.00 0.00 52 G 9.26 3.98 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 53 E 8.35 5.16 0.00 1.98 1.70 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 2.20 2.27 0.00 54 V 8.96 4.87 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 0.70 0.00 0.00 1.19 0.00 0.00 55 Y 8.77 5.29 0.00 2.94 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 56 I 8.57 4.32 1.56 0.00 0.00 -0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.48 0.23 0.00 0.00 57 K 8.60 4.89 0.00 1.40 1.60 0.00 1.40 0.00 0.00 1.26 0.00 0.00 2.13 0.00 0.00 2.49 0.00 0.00 0.00 0.00 1.10 0.99 7.81 58 S 9.14 4.50 0.00 3.96 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 59 T 8.34 3.81 4.16 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 1.14 0.00 0.00 60 E 8.16 4.09 0.00 1.85 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 2.23 2.35 0.00 61 T 7.85 4.32 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 1.23 0.00 0.00 62 G 8.23 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 63 Q 7.66 4.50 0.00 2.07 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.86 6.75 0.00 0.00 0.00 0.00 0.00 2.55 2.36 0.00 64 Y 9.10 4.93 0.00 2.83 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 L 9.07 4.39 0.00 1.44 1.37 0.72 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 66 A 8.54 5.06 0.60 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 0.00 0.00 67 M 8.53 5.35 0.00 2.29 2.27 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.72 0.00 68 D 9.54 5.27 0.00 2.92 2.84 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 69 T 8.59 3.98 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 1.26 0.00 0.00 70 D 8.72 4.74 0.00 2.78 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 G 8.63 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 0.00 0.00 0.00 72 L 7.77 4.73 0.00 1.95 1.63 0.91 0.59 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 73 L 8.48 5.23 0.00 1.57 1.60 0.89 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 74 Y 8.81 4.97 0.00 3.02 3.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 75 G 8.89 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 76 S 9.01 4.98 0.00 3.70 3.70 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 77 Q 9.00 4.38 0.00 2.15 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.58 0.00 0.00 0.00 0.00 0.00 2.44 2.34 0.00 78 T 7.30 4.60 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 1.22 0.00 0.00 79 P 0.00 3.44 0.00 1.66 0.80 0.00 3.47 0.00 0.00 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.63 0.00 80 N 7.87 5.10 0.00 2.94 2.93 0.00 0.00 6.23 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 E 8.79 3.83 0.00 1.91 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 2.22 2.26 0.00 82 E 8.90 4.21 0.00 2.28 2.25 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 2.35 2.29 0.00 83 T 7.63 4.77 4.45 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 1.20 0.00 0.00 84 L 7.23 4.39 0.00 1.36 1.35 0.77 0.20 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 85 F 8.83 5.27 0.00 3.01 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 86 L 9.33 4.87 0.00 1.52 1.58 0.86 0.37 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 87 E 9.08 4.55 0.00 2.10 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 2.16 1.89 0.00 88 R 8.58 4.81 0.00 1.77 1.79 0.00 3.11 0.00 0.00 2.87 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.63 0.00 89 L 8.69 4.81 0.00 1.61 1.59 0.95 1.01 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 90 E 9.10 4.70 0.00 2.20 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.41 0.00 91 E 9.74 3.96 0.00 2.38 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 0.00 2.28 2.38 0.00 92 N 8.56 4.33 0.00 2.84 2.89 0.00 0.00 6.86 8.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.53 4.82 0.00 2.86 2.96 0.00 5.94 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 Y 7.87 4.67 0.00 3.05 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 95 N 9.58 5.56 0.00 3.00 2.50 0.00 0.00 6.96 7.05 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 96 T 8.88 5.24 4.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 97 Y 8.67 5.00 0.00 2.70 2.68 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 98 I 8.60 4.60 1.68 0.00 0.00 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.70 0.54 0.00 0.00 99 S 8.81 4.12 0.00 4.10 3.93 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 0.00 100 K 8.68 3.95 0.00 1.72 1.62 0.00 1.59 0.00 0.00 1.44 0.00 0.00 2.78 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.33 1.29 7.81 101 K 7.95 3.66 0.00 1.72 1.63 0.00 1.50 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.71 0.00 0.00 0.00 0.00 1.23 0.95 7.81 102 H 7.86 4.65 0.00 2.92 2.14 0.00 5.69 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.82 3.93 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 0.00 104 E 7.91 3.71 0.00 1.79 1.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.12 0.00 105 K 7.61 4.11 0.00 0.92 1.46 0.00 1.47 0.00 0.00 1.49 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 1.01 7.81 106 N 7.55 3.94 0.00 3.04 3.08 0.00 0.00 6.89 7.83 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 0.00 107 W 7.67 5.15 0.00 3.27 3.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 F 9.25 5.40 0.00 2.86 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 V 8.84 4.09 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 0.37 0.00 0.00 0.41 0.00 0.00 110 G 8.68 4.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 L 7.96 5.29 0.00 1.28 1.41 1.02 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 112 K 9.23 4.23 0.00 1.94 1.66 0.00 1.63 0.00 0.00 1.60 0.00 0.00 2.89 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.35 7.81 113 K 8.48 3.86 0.00 1.76 1.82 0.00 1.60 0.00 0.00 1.82 0.00 0.00 2.87 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.68 1.35 7.81 114 N 8.04 4.64 0.00 2.81 2.89 0.00 0.00 6.19 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 G 8.42 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 S 7.97 4.60 0.00 4.01 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 0.00 117 V 8.06 4.14 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 0.78 0.00 0.00 1.00 0.00 0.00 118 K 8.67 4.31 0.00 1.76 1.67 0.00 1.77 0.00 0.00 1.54 0.00 0.00 2.83 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.36 1.32 7.81 119 R 8.69 3.92 0.00 1.83 1.62 0.00 3.25 0.00 0.00 3.24 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.50 0.00 120 G 8.69 3.36 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 0.00 121 P 0.00 4.23 0.00 1.88 2.16 0.00 2.97 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.46 0.00 122 R 7.72 4.22 0.00 1.84 1.92 0.00 3.29 0.00 0.00 3.25 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 123 T 7.56 5.05 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 1.26 0.00 0.00 124 H 7.87 4.71 0.00 3.48 3.56 0.00 5.67 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Y 8.76 3.89 0.00 3.14 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 0.00 126 G 9.00 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 0.00 127 Q 7.34 4.20 0.00 1.84 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.94 6.72 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 128 K 8.24 3.85 0.00 1.60 1.61 0.00 1.52 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.37 1.25 7.81 129 A 7.73 3.84 1.17 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 0.00 130 I 7.21 4.30 1.65 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.39 0.52 0.00 0.00 131 L 7.29 4.28 0.00 1.11 0.69 0.29 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 132 W 9.31 5.32 0.00 3.66 3.33 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 0.00 133 L 9.21 5.34 0.00 1.93 1.73 1.17 0.69 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 0.00 134 P 0.00 5.14 0.00 2.19 2.24 0.00 3.82 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.10 0.00 135 L 9.19 4.94 0.00 1.69 1.64 1.01 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 136 P 0.00 4.64 0.00 1.94 2.00 0.00 3.70 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.15 0.00 137 V 8.22 3.75 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 0.68 0.00 0.00 0.91 0.00 0.00