NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 R 4.2529 8.2549 117.2731 55.0602 31.9297 175.1846 4 P 3.8411 0.0000 0.0000 60.6450 32.4739 172.8501 5 E 3.8094 9.6793 124.8999 56.1341 31.1898 175.0053 6 P 4.1420 0.0000 0.0000 65.9430 31.4562 178.2106 7 E 4.0807 8.1205 117.2262 59.1837 29.4396 178.6905 8 L 4.0433 7.8241 118.7535 57.6143 41.6700 179.3619 9 I 3.4780 7.5281 119.2782 64.3581 37.1556 178.6639 10 R 4.0816 8.5069 119.3906 59.4630 29.7450 179.2650 11 Q 4.1616 8.2276 116.4458 59.1747 28.8523 178.2753 12 S 4.4551 8.2797 116.2235 61.0551 63.3258 176.2774 13 W 4.6372 9.0539 132.5760 60.1990 29.9976 178.0394 14 R 4.1999 8.4597 116.5938 58.1162 28.4609 178.8277 15 A 3.7310 7.5448 121.1152 55.0563 18.3703 179.3913 16 V 3.1911 7.1913 110.1660 63.3510 31.6647 178.5725 17 S 3.5827 7.4925 113.8989 60.3292 62.3465 176.6527 18 R 3.9848 6.9317 121.4335 58.2285 31.4240 177.6811 19 S 4.6523 7.3714 116.8708 55.0453 63.1517 172.7967 20 P 4.1358 0.0000 0.0000 65.6735 31.2421 178.2416 21 L 3.9431 7.9673 122.2470 58.3047 41.9442 179.1865 *22 E 3.9957 8.0362 117.5913 61.6282 29.7705 180.5103 23 H 4.4254 8.0917 117.5526 58.4154 28.6541 178.1242 24 G 3.7613 8.7615 108.1058 48.1404 0.0000 175.8415 25 T 3.9686 8.0606 117.9763 66.4796 68.3660 176.7622 26 V 3.6414 7.5819 120.1031 65.9086 31.4158 177.7949 27 L 3.9319 8.0343 119.8758 58.4053 41.9348 179.1282 28 F 3.5664 8.5563 117.4326 59.9891 38.8430 177.6395 29 A 4.1170 8.5052 121.2319 55.2354 18.1946 179.6957 30 R 3.7214 7.8091 117.3439 59.1061 30.0136 178.4228 31 L 3.8289 7.6812 121.6898 57.6768 41.8273 179.1027 32 F 4.7761 7.9839 116.3380 60.5873 38.8647 177.2721 33 A 4.1727 7.8446 119.4493 54.9670 18.2022 179.2910 34 L 4.3478 7.7886 116.8737 56.3101 42.9973 177.2528 35 E 4.6549 8.5595 118.5784 52.6642 30.6822 173.8123 36 P 4.4591 0.0000 0.0000 65.4265 31.4195 177.1543 37 D 4.5946 8.0795 115.6776 56.2618 41.0057 177.8083 38 L 4.3603 8.2032 120.3996 56.9953 41.5079 178.4514 39 L 3.6594 7.7866 120.5540 57.8423 41.7000 177.5278 40 P 4.4106 0.0000 0.0000 64.8925 31.4242 177.3215 41 L 4.0933 8.2915 117.4987 56.0024 41.5932 177.1730 42 F 4.5575 7.9945 118.2513 56.2907 38.0803 174.8144 43 Q 4.8020 8.5910 127.3273 54.7478 30.6742 176.4780 *44 Y 5.2749 7.8772 128.1147 56.3694 37.2903 174.2543 45 N 4.8148 8.5940 113.9519 55.6364 38.0741 174.7795 46 G 3.9074 9.6681 109.9829 46.3677 0.0000 176.6165 47 R 4.2001 9.2165 119.7327 56.7185 28.8901 173.7707 48 Q 4.4656 7.7649 113.1255 55.1036 30.2847 173.3534 49 F 4.9587 8.6349 115.6611 57.9979 40.9402 177.3131 50 S 4.2090 9.1255 125.5453 61.0929 62.5794 172.4094 51 S 4.8453 7.4058 115.0286 56.8683 66.8750 175.5813 52 P 4.0812 0.0000 0.0000 67.1570 30.8229 179.6881 53 E 3.9674 7.8986 115.5931 60.8779 30.0081 180.2032 54 D 4.6421 7.7947 118.2323 57.3457 41.3350 178.3417 55 S 2.0000 7.5340 114.6759 60.2531 62.4162 175.6524 56 L 4.2180 6.6384 119.1373 55.9798 41.5990 177.0083 57 S 4.6046 7.3264 113.0358 58.9975 65.2317 175.1669 58 S 4.4307 7.8628 116.3634 57.3403 63.4605 172.7460 59 P 4.2954 0.0000 0.0000 65.7150 31.2010 178.5786 60 E 4.0339 8.2991 115.9212 59.5080 29.6313 178.9005 61 F 3.9448 7.9496 121.9311 60.7831 39.5226 177.1583 62 L 3.7838 8.1697 118.7847 57.8437 41.4003 179.1668 63 D 4.3766 8.3074 118.9815 57.6390 40.6116 178.4199 64 H 4.1906 8.1641 118.7973 58.9395 29.7880 177.1727 65 I 3.4134 7.0431 121.6736 64.5169 36.9850 178.3257 66 R 3.9410 7.7025 118.1669 59.3464 29.9065 179.2808 67 K 4.0208 7.9366 118.0803 59.3839 32.0594 179.4740 68 V 3.6903 8.0222 118.6940 66.5789 31.4749 178.1154 69 M 4.4698 8.3723 118.1997 58.3397 31.7181 178.8254 70 L 4.1389 8.1389 119.5432 57.7179 41.8967 179.5937 71 V 3.7178 8.0288 118.3880 65.9430 31.4769 178.2527 72 I 3.7553 8.0141 119.8370 64.2067 36.8351 177.8225 73 D 4.1323 8.4195 118.9447 57.2046 41.1811 178.2392 74 A 4.0024 8.2467 122.5638 54.4225 18.1249 179.4471 75 A 3.8848 7.5341 118.3320 55.1413 18.5578 179.8082 76 V 3.4276 7.4286 117.0802 66.1198 31.1646 177.9609 77 T 4.2444 8.1116 108.0100 62.9895 68.7149 175.1429 78 N 4.9746 7.5645 119.1075 52.9250 39.3937 176.6767 79 V 3.4853 7.4003 121.0711 64.7214 31.2323 176.9850 80 E 4.1869 7.9508 117.0337 57.1531 30.1031 176.3684 81 D 4.6654 7.7566 115.6406 52.5483 43.3825 175.9746 82 L 4.0697 7.5964 122.5596 57.3213 42.1705 178.9981 83 S 4.2805 8.1394 115.3559 61.5539 62.4724 176.5159 84 S 4.2034 7.6435 115.8942 60.8909 62.9388 175.7853 85 L 4.3239 8.0098 121.5543 55.5774 41.6282 178.2757 86 E 3.9520 7.8646 119.7119 59.9316 29.3924 179.3345 87 E 4.0037 8.1657 117.5904 59.2588 29.5307 178.7030 88 Y 3.9718 7.9609 119.2760 60.7799 39.0120 177.8091 89 L 3.9226 8.3282 119.7883 57.4756 41.6465 179.3840 90 A 4.0441 8.1210 120.9886 55.2521 18.3639 179.6652 91 S 3.9023 7.7173 111.4266 61.2446 62.5407 176.0596 92 L 3.8739 7.7937 123.3461 57.8978 41.6997 179.1900 93 G 3.4253 8.2157 106.1261 47.7232 0.0000 175.5969 94 R 3.6001 7.6721 122.6265 58.2503 29.8456 178.4892 95 K 3.7677 7.8787 119.3872 59.7321 32.1137 178.5782 96 H 4.2920 7.9055 116.1525 58.6390 28.8061 177.6221 97 R 3.9119 7.4424 120.4737 59.3517 29.4909 178.4278 98 A 3.9808 7.8414 119.7559 54.5444 18.3972 178.9831 99 V 4.1157 6.9597 106.9270 61.1134 32.0202 176.8968 100 G 4.0693 7.7911 107.0474 45.0193 0.0000 174.1393 101 V 3.9916 7.6312 119.9722 62.1736 32.4703 175.7723 102 K 4.6106 8.5737 126.1182 55.4907 33.3579 177.6378 103 L 3.3535 8.0976 123.8142 58.1091 41.6680 179.6269 104 S 4.1779 7.8943 113.4834 61.1871 62.9564 176.3797 105 S 4.3544 8.1057 118.7441 61.0879 62.3721 176.0507 106 F 4.2772 8.2682 120.1225 59.6188 38.6763 177.8168 107 S 4.3682 8.1175 115.7233 61.8013 62.5853 176.5841 108 T 3.8652 7.7499 118.0883 66.4245 68.2301 176.6960 109 V 3.4196 7.8271 120.4644 65.7183 31.5136 178.2871 110 G 2.9438 7.6630 105.1080 47.7178 0.0000 175.4250 111 E 3.9833 8.0634 121.4743 59.2436 29.0933 179.8000 112 S 4.1123 8.0935 115.3237 61.1944 62.8066 176.4694 113 L 3.8277 8.0657 123.5538 57.9869 41.8019 179.0167 114 L 3.8015 7.8241 118.8992 57.8156 41.4874 178.7412 115 Y 4.1237 7.8633 119.4209 60.9926 38.7269 177.8599 116 M 3.6915 8.0773 119.0361 58.6674 32.1942 178.2190 117 L 3.6118 7.4045 120.2839 56.8148 41.5705 179.2802 118 E 3.6095 7.7713 118.8821 59.2304 29.1837 179.5074 119 K 3.7142 7.4051 117.5231 59.3618 32.1738 179.2668 120 S 4.1852 7.7727 114.3744 60.8605 63.2416 175.8273 121 L 4.4414 8.1747 121.5886 54.1688 42.5258 177.8721 122 G 3.7849 8.4895 108.3967 45.5687 0.0000 174.6657 123 P 4.1988 0.0000 0.0000 65.2845 31.4118 177.4263 124 A 4.1451 7.8130 120.1084 54.4908 18.4963 178.0637 125 F 4.6815 8.0758 119.9528 57.2986 37.7588 175.5081 126 T 4.1553 7.5820 116.3777 60.0489 71.2600 173.4636 127 P 4.1160 0.0000 0.0000 65.7402 31.3002 178.8499 128 A 3.9828 7.8393 119.0063 55.4203 18.3455 179.7108 129 T 3.8499 7.5019 114.4460 66.5832 68.4769 176.9764 130 R 3.6047 7.8854 120.8378 59.2476 30.0170 178.4527 131 A 3.9899 8.0662 120.3152 55.0695 18.2897 179.3683 132 A 3.8760 8.0241 119.2841 55.2314 18.3450 179.9772 133 W 4.0178 8.4234 117.4066 59.9464 29.1118 178.9878 134 S 4.3310 8.5396 115.2891 61.7286 62.3707 176.8455 135 Q 3.9927 8.3713 120.8451 58.7288 28.4864 178.3886 136 L 3.8376 8.1213 121.6033 58.5114 42.1365 178.5215 137 Y 4.2193 8.6335 119.8748 60.4817 38.7372 177.9948 138 G 3.6045 8.4908 106.7863 47.7461 0.0000 175.5843 139 A 3.9804 7.9208 122.9444 54.6074 18.3562 179.8876 140 V 3.3889 7.5312 116.8285 66.2748 31.6331 178.5774 141 V 3.3795 7.4316 117.8790 65.7675 31.0143 177.9766 142 Q 3.8972 7.8171 117.0857 58.8125 28.6980 178.2405 143 A 4.1137 7.9423 121.7671 55.5140 18.3515 179.6738 144 M 4.1743 8.0890 117.3960 58.2054 31.8647 178.7596 145 S 4.3631 8.0750 113.9256 60.5800 62.8762 176.2594 146 R 4.2185 7.7341 121.4442 58.3034 29.8137 178.0066 147 G 3.6913 8.4205 105.2549 45.1725 0.0000 173.8511 148 W 4.5610 8.0069 123.7235 55.7304 28.0094 176.1272 149 D 4.6060 7.6308 121.2731 53.4145 38.9889 176.7974 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 3 R 8.25 4.25 0.00 1.90 1.93 0.00 2.99 0.00 0.00 3.18 7.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.61 0.00 4 P 0.00 3.84 0.00 1.98 2.05 0.00 3.62 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 2.06 0.00 5 E 9.68 3.81 0.00 2.03 1.83 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 2.36 2.46 0.00 6 P 0.00 4.14 0.00 2.16 2.05 0.00 3.61 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.10 0.00 7 E 8.12 4.08 0.00 2.07 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 2.39 2.48 0.00 8 L 7.82 4.04 0.00 1.84 1.72 0.90 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 9 I 7.53 3.48 1.78 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.43 0.29 0.00 0.00 10 R 8.51 4.08 0.00 1.90 2.06 0.00 3.16 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 1.69 1.78 0.00 11 Q 8.23 4.16 0.00 2.27 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.99 0.00 0.00 0.00 0.00 0.00 2.75 2.47 0.00 12 S 8.28 4.46 0.00 4.43 4.51 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 13 W 9.05 4.64 0.00 3.92 3.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 R 8.46 4.20 0.00 2.10 2.35 0.00 3.14 0.00 0.00 3.29 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.51 0.00 15 A 7.54 3.73 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 V 7.19 3.19 1.56 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 0.54 0.00 0.00 0.44 0.00 0.00 17 S 7.49 3.58 0.00 3.55 2.63 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 18 R 6.93 3.98 0.00 1.68 1.97 0.00 3.05 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.79 0.00 19 S 7.37 4.65 0.00 3.83 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 20 P 0.00 4.14 0.00 2.25 2.27 0.00 3.66 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 2.05 2.01 0.00 21 L 7.97 3.94 0.00 1.75 1.67 0.86 0.99 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 *22 E 8.04 4.00 0.00 2.01 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 0.00 2.32 1.97 0.00 23 H 8.09 4.43 0.00 3.08 3.25 0.00 5.60 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 24 G 8.76 3.76 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 0.00 0.00 0.00 25 T 8.06 3.97 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 26 V 7.58 3.64 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 1.00 0.00 0.00 0.90 0.00 0.00 27 L 8.03 3.93 0.00 1.75 1.89 0.85 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 28 F 8.56 3.57 0.00 3.28 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 8.51 4.12 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 30 R 7.81 3.72 0.00 1.56 2.01 0.00 2.85 0.00 0.00 2.85 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 1.49 0.00 31 L 7.68 3.83 0.00 1.43 1.25 0.70 0.11 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 32 F 7.98 4.78 0.00 3.10 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.84 4.17 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 0.00 0.00 0.00 0.00 0.00 34 L 7.79 4.35 0.00 1.74 1.70 0.85 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 35 E 8.56 4.65 0.00 1.97 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 2.23 2.26 0.00 36 P 0.00 4.46 0.00 2.18 2.12 0.00 3.63 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 37 D 8.08 4.59 0.00 2.70 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 38 L 8.20 4.36 0.00 2.29 2.14 0.96 0.56 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 39 L 7.79 3.66 0.00 1.20 1.65 0.23 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 40 P 0.00 4.41 0.00 2.12 2.13 0.00 3.81 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 2.05 2.11 0.00 41 L 8.29 4.09 0.00 1.74 1.60 0.97 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 42 F 7.99 4.56 0.00 3.27 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 43 Q 8.59 4.80 0.00 2.04 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.53 6.96 0.00 0.00 0.00 0.00 0.00 2.30 2.35 0.00 *44 Y 7.88 5.27 0.00 2.20 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 0.00 0.00 0.00 45 N 8.59 4.81 0.00 2.71 2.87 0.00 0.00 6.92 7.65 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 46 G 9.67 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 0.00 0.00 0.00 47 R 9.22 4.20 0.00 1.93 2.04 0.00 3.19 0.00 0.00 3.37 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 1.17 0.00 48 Q 7.76 4.47 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.68 0.00 0.00 0.00 0.00 0.00 2.16 1.92 0.00 49 F 8.63 4.96 0.00 2.89 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 S 9.13 4.21 0.00 3.65 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 51 S 7.41 4.85 0.00 3.71 3.68 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 52 P 0.00 4.08 0.00 2.10 2.14 0.00 3.43 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.89 0.00 53 E 7.90 3.97 0.00 2.07 1.87 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 2.23 1.93 0.00 54 D 7.79 4.64 0.00 2.79 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 55 S 7.53 2.00 0.00 2.72 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 L 6.64 4.22 0.00 1.53 1.77 1.10 0.91 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 57 S 7.33 4.60 0.00 4.06 3.87 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 58 S 7.86 4.43 0.00 4.65 3.24 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 59 P 0.00 4.30 0.00 2.26 2.14 0.00 3.79 0.00 0.00 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.20 0.00 60 E 8.30 4.03 0.00 2.33 2.39 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 2.70 2.63 0.00 61 F 7.95 3.94 0.00 2.63 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 62 L 8.17 3.78 0.00 1.71 1.66 0.93 1.01 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 63 D 8.31 4.38 0.00 2.93 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 64 H 8.16 4.19 0.00 3.34 3.22 0.00 5.60 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 65 I 7.04 3.41 1.83 0.00 0.00 -0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.39 0.86 0.00 0.00 66 R 7.70 3.94 0.00 2.08 2.00 0.00 3.13 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.65 0.00 67 K 7.94 4.02 0.00 1.98 1.92 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.52 1.62 7.81 68 V 8.02 3.69 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 1.24 0.00 0.00 1.16 0.00 0.00 69 M 8.37 4.47 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.85 3.01 0.00 70 L 8.14 4.14 0.00 1.96 1.77 1.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 71 V 8.03 3.72 2.36 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 1.20 0.00 0.00 1.17 0.00 0.00 72 I 8.01 3.76 1.91 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.72 0.18 0.00 0.00 73 D 8.42 4.13 0.00 3.36 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 74 A 8.25 4.00 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 75 A 7.53 3.88 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 76 V 7.43 3.43 1.87 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 1.02 0.00 0.00 0.27 0.00 0.00 77 T 8.11 4.24 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 1.28 0.00 0.00 78 N 7.56 4.97 0.00 2.82 2.90 0.00 0.00 6.62 6.98 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 79 V 7.40 3.49 2.01 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 0.63 0.00 0.00 0.75 0.00 0.00 80 E 7.95 4.19 0.00 1.94 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 2.26 2.24 0.00 81 D 7.76 4.67 0.00 2.67 2.45 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 82 L 7.60 4.07 0.00 1.68 1.66 0.84 0.81 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 83 S 8.14 4.28 0.00 3.84 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 84 S 7.64 4.20 0.00 4.00 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 L 8.01 4.32 0.00 1.88 1.78 0.92 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 86 E 7.86 3.95 0.00 2.09 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 0.00 2.33 2.45 0.00 87 E 8.17 4.00 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 2.40 2.37 0.00 88 Y 7.96 3.97 0.00 3.10 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 89 L 8.33 3.92 0.00 1.74 1.68 0.92 0.93 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 90 A 8.12 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 S 7.72 3.90 0.00 3.76 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 92 L 7.79 3.87 0.00 1.43 1.64 0.94 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 93 G 8.22 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 94 R 7.67 3.60 0.00 1.70 1.89 0.00 3.04 0.00 0.00 3.09 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.41 0.00 95 K 7.88 3.77 0.00 1.88 1.82 0.00 1.48 0.00 0.00 1.58 0.00 0.00 2.98 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.39 7.81 96 H 7.91 4.29 0.00 3.48 3.67 0.00 5.87 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 R 7.44 3.91 0.00 0.67 1.41 0.00 3.05 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.47 0.00 98 A 7.84 3.98 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 99 V 6.96 4.12 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.98 0.00 0.00 100 G 7.79 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 101 V 7.63 3.99 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 0.94 0.00 0.00 1.09 0.00 0.00 102 K 8.57 4.61 0.00 1.88 1.73 0.00 1.85 0.00 0.00 1.92 0.00 0.00 2.91 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.59 1.42 7.81 103 L 8.10 3.35 0.00 0.27 0.94 0.10 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 104 S 7.89 4.18 0.00 4.06 4.06 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 0.00 0.00 0.00 0.00 105 S 8.11 4.35 0.00 3.97 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 0.00 106 F 8.27 4.28 0.00 3.30 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 0.00 107 S 8.12 4.37 0.00 4.05 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 0.00 108 T 7.75 3.87 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 1.14 0.00 0.00 109 V 7.83 3.42 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 0.87 0.00 0.00 0.59 0.00 0.00 110 G 7.66 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 0.00 0.00 0.00 111 E 8.06 3.98 0.00 2.14 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 2.33 2.49 0.00 112 S 8.09 4.11 0.00 3.79 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 0.00 113 L 8.07 3.83 0.00 1.49 1.55 0.71 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.00 0.00 0.00 0.00 0.00 0.00 114 L 7.82 3.80 0.00 1.91 1.81 1.02 0.82 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 0.00 115 Y 7.86 4.12 0.00 3.01 3.06 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 0.00 0.00 0.00 0.00 116 M 8.08 3.69 0.00 2.10 1.97 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.40 0.00 117 L 7.40 3.61 0.00 0.70 0.41 -0.26 0.25 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 0.00 118 E 7.77 3.61 0.00 1.86 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 2.45 2.37 0.00 119 K 7.41 3.71 0.00 1.47 1.60 0.00 1.48 0.00 0.00 1.47 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 0.46 0.64 7.81 120 S 7.77 4.19 0.00 3.92 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 0.00 121 L 8.17 4.44 0.00 1.81 1.82 1.12 1.19 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 0.00 122 G 8.49 3.78 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 0.00 0.00 0.00 123 P 0.00 4.20 0.00 2.07 2.17 0.00 3.70 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 2.04 2.12 0.00 124 A 7.81 4.15 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 0.00 125 F 8.08 4.68 0.00 2.88 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 0.00 126 T 7.58 4.16 4.20 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 1.28 0.00 0.00 127 P 0.00 4.12 0.00 2.14 2.11 0.00 3.56 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 128 A 7.84 3.98 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 0.00 129 T 7.50 3.85 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 130 R 7.89 3.60 0.00 1.27 1.89 0.00 3.13 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.75 0.00 131 A 8.07 3.99 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 0.00 132 A 8.02 3.88 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 0.00 133 W 8.42 4.02 0.00 3.73 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 0.00 134 S 8.54 4.33 0.00 4.08 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 0.00 135 Q 8.37 3.99 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.81 0.00 0.00 0.00 0.00 0.00 2.39 2.68 0.00 136 L 8.12 3.84 0.00 1.55 1.72 0.77 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 137 Y 8.63 4.22 0.00 3.36 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 0.00 138 G 8.49 3.60 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 0.00 139 A 7.92 3.98 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 0.00 140 V 7.53 3.39 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 0.87 0.00 0.00 0.92 0.00 0.00 141 V 7.43 3.38 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 0.86 0.00 0.00 0.46 0.00 0.00 142 Q 7.82 3.90 0.00 2.19 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.73 0.00 0.00 0.00 0.00 0.00 2.35 2.60 0.00 143 A 7.94 4.11 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 0.00 144 M 8.09 4.17 0.00 1.99 2.02 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.58 0.00 145 S 8.08 4.36 0.00 3.98 4.10 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 0.00 146 R 7.73 4.22 0.00 1.91 2.04 0.00 3.15 0.00 0.00 3.22 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.65 0.00 147 G 8.42 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 W 8.01 4.56 0.00 3.49 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 0.00 149 D 7.63 4.61 0.00 2.74 2.63 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 * Residues marked with a * may have inaccurate shift predictions.