NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3930 8.3044 120.3167 54.6705 33.6138 174.1657 2 E 4.0004 8.4472 119.7899 57.0563 30.5018 174.4466 3 Q 5.1354 8.6784 122.9208 54.7357 33.7898 173.3242 4 T 4.7769 8.9026 114.9324 60.6384 72.0454 172.0565 5 F 5.3216 8.8771 126.9392 56.7841 41.2000 174.2592 6 I 4.3683 7.9604 126.9369 59.5340 40.3499 174.6195 7 M 4.7226 8.2767 124.9253 53.7820 35.6203 174.0766 8 I 4.1785 8.3974 128.0835 60.2639 38.1207 176.0529 9 K 4.4141 8.9757 127.5088 55.5787 33.1951 176.7881 10 P 4.4014 0.0000 0.0000 65.4712 31.1498 178.5426 11 D 4.6076 8.0700 116.3631 56.5302 39.2169 178.8370 12 G 3.5876 8.2937 107.2448 47.4362 0.0000 175.9426 13 V 3.6060 7.5657 120.0235 65.9242 31.5263 178.0781 14 Q 4.0758 8.4040 116.9906 58.4171 28.5503 177.9768 15 R 4.3926 7.9502 116.8411 54.7070 31.3351 176.3685 16 G 3.8607 7.8804 106.5570 47.4297 0.0000 174.8674 17 L 4.4346 7.7446 115.1727 53.9730 42.8504 178.1742 18 I 3.7686 7.7493 121.5894 64.5287 37.0084 178.0882 19 G 3.6102 8.0106 105.5606 47.8303 0.0000 174.6382 20 E 3.9387 8.1719 120.5251 59.0410 29.8398 178.7445 21 V 3.8230 8.0006 117.9649 66.3223 31.5949 177.8427 22 I 4.0493 7.8659 119.4687 64.9308 36.8643 178.1388 23 C 4.2250 8.5265 117.6323 62.9319 28.0649 176.4571 24 R 3.8748 7.9746 119.4764 59.2890 29.1858 179.1725 25 F 3.6879 8.0674 117.1193 60.0523 38.7152 177.4938 26 E 4.3191 8.5185 118.5744 59.6837 29.1852 179.6046 27 K 3.9953 8.1381 117.1963 59.3127 32.1088 179.0562 28 K 3.8564 7.5746 118.9768 58.2072 32.1088 177.3202 29 G 3.9367 7.6008 104.6346 44.9545 0.0000 174.0760 30 F 5.0096 7.3733 117.4266 58.1119 40.0549 174.7728 31 T 4.7531 9.1429 118.4600 62.0346 70.4128 173.6669 32 L 3.7970 8.9002 129.0528 54.3447 42.6669 176.1944 33 K 4.7479 8.6356 124.8163 55.7501 34.2119 175.8318 34 G 3.6826 7.2078 104.5699 45.1362 0.0000 172.6677 35 L 5.3072 8.3292 125.9667 53.9010 45.3211 174.3430 36 K 4.4583 9.2727 123.0601 56.1311 36.3213 173.6387 37 L 5.0152 8.5906 124.6208 54.1414 43.1818 175.6515 38 I 4.6408 9.0166 126.6927 59.7841 41.9499 174.7896 39 S 4.9040 8.5226 122.0930 56.6806 63.3604 174.1073 40 V 3.4947 8.2167 125.3578 62.2671 32.2332 176.0410 41 E 4.3515 8.3549 125.0903 55.4636 32.0752 177.5407 42 R 3.9325 8.6504 121.1549 59.7965 30.1700 179.2681 43 S 4.1043 8.0141 113.0802 61.3978 63.1461 176.0102 44 F 3.7700 8.1673 123.9836 60.6636 39.2989 176.3952 45 A 3.9960 8.3902 120.7373 55.6266 17.9300 179.4955 46 E 4.1318 8.1999 115.4737 59.3554 29.6584 179.6966 47 K 4.0739 7.6665 118.2754 59.7032 31.9811 178.5384 48 H 3.9291 7.4906 117.0201 58.9638 29.8817 175.7147 49 Y 5.1054 7.7928 117.3047 58.2818 39.1577 177.6104 50 E 3.9803 8.6317 119.7134 59.8679 29.4373 178.2204 51 D 3.8392 8.0833 121.5545 57.4783 41.6400 178.0119 52 L 4.5756 7.9316 117.8923 54.6031 41.4345 178.1135 53 S 2.8418 8.3944 115.5408 61.0126 62.3988 175.6365 54 S 4.0284 7.8980 115.2439 61.1741 62.5632 174.9392 55 K 3.9864 7.2899 119.1640 56.1386 32.6558 177.0078 56 S 4.3629 7.7914 113.6780 60.8676 63.7553 176.3773 57 F 4.4512 7.2088 115.9649 57.8511 37.3551 176.0074 58 F 4.1443 8.0636 121.4548 62.3579 39.0835 176.8007 59 S 4.0137 8.5091 112.8528 61.6466 62.6785 176.8264 60 G 3.6213 7.9837 108.4161 47.5308 0.0000 175.4556 61 L 3.9381 8.1278 122.1333 57.3215 41.4151 179.6264 62 V 3.7403 7.5316 118.0265 66.4610 31.2387 177.6130 63 D 4.4218 7.9445 116.9358 57.7282 40.9744 178.2040 64 Y 4.1836 7.9547 119.3824 60.6749 38.6964 177.6735 65 I 3.8636 8.2136 119.6208 63.4502 37.0871 177.4578 66 V 4.1584 7.5198 117.9374 63.0616 31.7157 177.0218 67 S 4.1248 7.7331 112.6212 59.8489 63.2078 173.8771 68 G 3.9718 6.5050 108.9686 43.7016 0.0000 171.4511 69 P 4.6825 0.0000 0.0000 63.0535 32.9146 175.0911 70 V 4.5466 9.1156 113.2995 59.7549 36.9543 174.6707 71 V 4.8743 8.3722 120.3576 61.3541 33.5935 174.0827 72 A 4.7615 9.2741 131.0800 51.5077 20.6310 175.8248 73 M 5.2780 8.8549 119.6627 54.0866 37.6317 174.0662 74 I 4.9957 8.3529 121.0512 59.4003 40.8215 174.6787 75 W 5.2180 8.9455 126.5517 54.7597 32.4692 174.1909 76 E 5.1454 10.7800 124.9701 53.6983 32.4896 175.4260 77 G 4.9747 8.3077 114.6570 44.3030 0.0000 171.8608 78 K 4.1273 8.5977 120.5580 57.5284 32.3576 177.3950 79 N 4.5377 9.2393 119.8639 54.3204 36.1041 176.4938 80 V 3.3477 7.5400 121.9475 64.7148 30.8242 178.3431 81 V 3.5606 7.8430 118.6399 66.0992 31.4117 178.0880 82 L 4.0843 7.8134 118.1742 57.7760 41.6087 179.6181 83 T 3.9820 8.5782 116.4964 66.6612 68.4683 176.6894 84 G 3.9266 8.0801 107.6609 48.2637 0.0000 175.7882 85 R 4.0508 7.8091 119.9311 58.7372 29.9149 178.9625 86 K 3.9596 8.1490 119.2121 59.4311 32.3574 178.7146 87 I 3.8175 8.3279 120.6655 64.0812 36.8540 178.5011 88 I 3.7796 7.6841 121.0025 62.7831 36.9290 177.1568 89 G 4.1835 8.0121 103.0479 44.1734 0.0000 172.5969 90 A 4.0563 8.2218 120.9194 52.7035 18.7847 178.0452 91 T 3.8988 8.6445 118.1440 66.5049 68.8332 174.5001 92 N 4.5947 7.9865 121.4618 51.8925 38.7808 173.6466 93 P 4.8083 0.0000 0.0000 64.6098 31.6969 178.5516 94 A 3.7607 8.0294 119.9233 54.1896 18.4026 178.0914 95 A 4.4495 7.9775 117.9888 52.8629 20.3022 177.8901 96 S 4.1673 7.3398 111.6930 58.6329 63.5725 173.6272 97 E 4.5250 8.5695 123.9096 54.6119 30.3330 174.2778 98 P 4.3299 0.0000 0.0000 64.1180 31.8354 175.7410 99 G 4.0200 8.7473 111.6875 46.0445 0.0000 174.9176 100 T 4.4855 7.8518 110.3450 60.1961 71.7348 175.9897 101 I 3.8634 8.3990 122.7836 64.9758 37.1218 179.2384 102 R 4.1677 8.4431 119.1584 59.1055 29.6354 179.4030 103 G 3.5175 7.9423 104.9209 47.3547 0.0000 174.7477 104 D 4.3228 7.7656 119.4508 54.9637 41.3131 177.3422 105 F 4.8736 7.8810 114.7737 56.9492 41.4347 175.1978 106 A 4.6193 8.0164 122.8469 51.5353 19.7906 176.3803 107 I 4.4354 8.1673 118.3456 62.6762 40.5653 175.4733 108 D 4.7576 7.7938 119.3568 52.5461 42.2470 176.9608 109 I 3.6177 8.5142 127.0976 64.5135 37.1921 177.3812 110 G 3.5899 8.4815 107.3155 46.8367 0.0000 173.5030 111 R 4.6593 7.7086 118.4702 55.2924 30.6501 175.2879 112 N 4.5988 7.9833 112.3780 52.6151 38.2214 177.8953 113 V 3.4149 8.5915 125.5673 64.4150 32.1426 171.6499 114 I 5.3834 8.4264 117.4994 59.9495 41.6610 174.2047 115 H 4.9698 8.8957 121.6636 54.8073 33.3958 172.2272 116 G 4.4146 8.0462 109.8267 44.5562 0.0000 172.4074 117 S 4.7776 8.2353 119.4318 58.1882 62.8671 174.8346 118 D 4.5264 9.0348 123.3855 55.3747 40.0295 175.7155 119 S 4.5768 7.7155 113.1092 56.0839 66.2339 175.7569 120 V 3.6051 8.3231 119.5028 66.4176 31.1813 176.6445 121 E 3.9974 8.2972 119.3325 58.9271 29.4965 178.3788 122 S 4.1748 8.3902 113.4961 61.5593 62.9443 176.4731 123 A 4.0662 8.2914 124.2112 55.2780 18.2444 179.6989 124 R 3.9082 8.1319 116.3720 59.4137 30.1290 179.4151 125 K 3.9626 7.9235 117.6646 59.5799 31.7187 179.0303 126 E 3.9945 8.7976 118.9887 59.6467 29.3910 179.4022 127 I 3.8128 8.1221 118.3657 64.0553 37.8105 177.7842 128 A 4.0373 7.7008 120.0454 55.0251 18.3191 179.0775 129 L 3.9516 7.7013 117.4506 58.3687 42.3138 179.0574 130 W 4.3627 8.3991 117.6753 58.0022 30.4436 176.7054 131 F 4.9192 8.5541 118.1679 54.6518 38.5026 173.7144 132 P 4.4034 0.0000 0.0000 65.7459 31.7122 178.4346 133 D 4.3876 8.0844 115.8941 54.8820 40.7256 176.6382 134 G 3.9431 7.9684 105.8476 44.1802 0.0000 170.8686 135 P 4.6567 0.0000 0.0000 61.7928 33.4345 175.2131 136 V 4.2854 8.4834 120.6045 61.5410 32.2673 174.7047 137 N 5.1372 8.6678 125.7642 51.9874 39.9841 174.5052 138 W 4.5654 8.0382 116.9210 56.1280 30.3149 173.5509 139 Q 4.2412 8.6432 118.4985 53.6043 30.5260 175.8606 140 S 4.3616 7.9930 118.2678 58.3705 62.9137 174.8638 141 S 4.4568 8.8278 120.9374 60.0247 63.3674 174.9073 142 V 4.1590 7.9265 120.4917 64.3759 32.1356 177.1918 143 H 4.1153 8.2061 119.7588 59.3224 29.5008 174.6902 144 P 4.1758 0.0000 0.0000 64.6225 31.0592 177.0291 145 W 4.6191 8.4854 117.3275 57.0056 29.8760 177.2121 146 V 3.8765 7.6101 116.9831 62.7880 31.9858 175.0022 147 Y 4.5854 7.4732 115.0408 55.6378 41.1597 174.8201 148 E 4.1403 8.8035 121.8638 56.3204 30.0525 176.5297 149 T 3.6252 8.4273 119.7567 63.8788 68.2371 171.9754 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 8.30 4.39 0.00 2.00 2.06 0.00 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.42 0.00 2 E 8.45 4.00 0.00 2.16 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 2.40 2.43 0.00 3 Q 8.68 5.14 0.00 1.93 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.58 6.59 0.00 0.00 0.00 0.00 0.00 2.26 2.50 0.00 4 T 8.90 4.78 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 1.33 0.00 0.00 5 F 8.88 5.32 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 6 I 7.96 4.37 1.66 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 0.26 0.47 0.55 0.00 0.00 7 M 8.28 4.72 0.00 1.70 0.81 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 1.98 2.27 0.00 8 I 8.40 4.18 1.83 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 1.19 0.70 0.89 0.00 0.00 9 K 8.98 4.41 0.00 2.01 1.93 0.00 1.89 0.00 0.00 1.84 0.00 0.00 3.06 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.55 1.71 7.81 10 P 0.00 4.40 0.00 1.75 1.92 0.00 3.93 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 2.07 0.00 11 D 8.07 4.61 0.00 3.00 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 12 G 8.29 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.57 3.61 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 1.05 0.00 0.00 0.92 0.00 0.00 14 Q 8.40 4.08 0.00 2.24 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.55 0.00 15 R 7.95 4.39 0.00 1.90 1.92 0.00 3.34 0.00 0.00 3.26 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.65 0.00 16 G 7.88 3.86 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 0.00 0.00 0.00 0.00 0.00 0.00 17 L 7.74 4.43 0.00 1.63 1.31 0.58 0.19 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 18 I 7.75 3.77 1.86 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 1.56 0.51 0.92 0.00 0.00 19 G 8.01 3.61 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 20 E 8.17 3.94 0.00 1.86 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 0.00 2.05 2.49 0.00 21 V 8.00 3.82 2.24 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 1.01 0.00 0.00 1.02 0.00 0.00 22 I 7.87 4.05 2.15 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.79 1.27 0.00 0.00 23 C 8.53 4.23 0.00 3.32 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 24 R 7.97 3.87 0.00 2.00 1.83 0.00 3.21 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.97 0.00 25 F 8.07 3.69 0.00 1.51 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 26 E 8.52 4.32 0.00 2.37 2.17 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 2.78 3.03 0.00 27 K 8.14 4.00 0.00 1.72 1.83 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.98 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 28 K 7.57 3.86 0.00 1.59 1.67 0.00 1.35 0.00 0.00 1.46 0.00 0.00 2.97 0.00 0.00 2.66 0.00 0.00 0.00 0.00 0.93 0.44 7.81 29 G 7.60 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 30 F 7.37 5.01 0.00 3.40 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 31 T 9.14 4.75 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 0.46 0.00 0.00 32 L 8.90 3.80 0.00 0.47 1.39 -0.39 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 0.00 0.00 0.00 0.00 33 K 8.64 4.75 0.00 1.50 1.70 0.00 2.07 0.00 0.00 1.76 0.00 0.00 2.55 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.31 1.61 7.81 34 G 7.21 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 0.00 0.00 0.00 35 L 8.33 5.31 0.00 1.44 1.42 0.92 0.55 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 36 K 9.27 4.46 0.00 1.83 1.94 0.00 1.27 0.00 0.00 1.59 0.00 0.00 2.13 0.00 0.00 2.41 0.00 0.00 0.00 0.00 1.40 1.34 7.81 37 L 8.59 5.02 0.00 1.68 1.61 0.91 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 38 I 9.02 4.64 1.95 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.56 0.75 0.00 0.00 39 S 8.52 4.90 0.00 3.69 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 40 V 8.22 3.49 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 0.84 0.00 0.00 0.93 0.00 0.00 41 E 8.35 4.35 0.00 2.18 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 2.28 0.00 42 R 8.65 3.93 0.00 1.85 2.08 0.00 3.31 0.00 0.00 3.40 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.68 0.00 43 S 8.01 4.10 0.00 4.05 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 44 F 8.17 3.77 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 45 A 8.39 4.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 E 8.20 4.13 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.49 0.00 47 K 7.67 4.07 0.00 1.56 1.60 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.38 1.47 7.81 48 H 7.49 3.93 0.00 2.82 3.26 0.00 5.93 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 49 Y 7.79 5.11 0.00 3.24 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 50 E 8.63 3.98 0.00 2.09 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 2.34 2.50 0.00 51 D 8.08 3.84 0.00 2.75 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 52 L 7.93 4.58 0.00 2.14 2.01 1.02 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 53 S 8.39 2.84 0.00 3.45 3.65 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 54 S 7.90 4.03 0.00 3.93 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 55 K 7.29 3.99 0.00 1.66 0.83 0.00 1.53 0.00 0.00 1.63 0.00 0.00 3.07 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.56 7.81 56 S 7.79 4.36 0.00 3.92 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 57 F 7.21 4.45 0.00 3.19 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 58 F 8.06 4.14 0.00 3.33 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 59 S 8.51 4.01 0.00 4.12 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 0.00 60 G 7.98 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.13 3.94 0.00 1.18 0.85 0.51 0.39 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 62 V 7.53 3.74 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 1.02 0.00 0.00 0.53 0.00 0.00 63 D 7.94 4.42 0.00 2.89 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 Y 7.95 4.18 0.00 3.15 3.21 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 65 I 8.21 3.86 2.22 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 1.89 1.18 1.07 0.00 0.00 66 V 7.52 4.16 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.00 0.00 1.03 0.00 0.00 67 S 7.73 4.12 0.00 4.02 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 68 G 6.50 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 0.00 0.00 0.00 69 P 0.00 4.68 0.00 2.11 2.17 0.00 3.60 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 2.05 1.98 0.00 70 V 9.12 4.55 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 1.13 0.00 0.00 71 V 8.37 4.87 2.05 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 0.97 0.00 0.00 0.93 0.00 0.00 72 A 9.27 4.76 1.38 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 0.00 0.00 73 M 8.85 5.28 0.00 1.64 1.88 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 2.49 2.47 0.00 74 I 8.35 5.00 1.47 0.00 0.00 0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 -0.36 0.82 0.00 0.00 75 W 8.95 5.22 0.00 3.13 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 76 E 10.78 5.15 0.00 1.98 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 2.42 0.00 77 G 8.31 4.97 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 0.00 0.00 0.00 78 K 8.60 4.13 0.00 2.11 1.94 0.00 2.17 0.00 0.00 1.84 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.54 1.51 7.81 79 N 9.24 4.54 0.00 3.07 3.02 0.00 0.00 6.87 7.68 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 80 V 7.54 3.35 1.92 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 0.85 0.00 0.00 -0.08 0.00 0.00 81 V 7.84 3.56 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 1.09 0.00 0.00 0.97 0.00 0.00 82 L 7.81 4.08 0.00 1.76 1.72 0.94 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 83 T 8.58 3.98 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 1.36 0.00 0.00 84 G 8.08 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 0.00 0.00 0.00 85 R 7.81 4.05 0.00 2.01 2.00 0.00 3.23 0.00 0.00 3.12 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.75 0.00 86 K 8.15 3.96 0.00 1.82 1.98 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.02 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 87 I 8.33 3.82 1.74 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.49 0.59 0.00 0.00 88 I 7.68 3.78 2.04 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.02 0.94 0.00 0.00 89 G 8.01 4.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.22 4.06 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 91 T 8.64 3.90 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 1.21 0.00 0.00 92 N 7.99 4.59 0.00 2.71 2.70 0.00 0.00 7.15 7.71 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 93 P 0.00 4.81 0.00 2.36 2.15 0.00 3.91 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 2.15 2.06 0.00 94 A 8.03 3.76 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 95 A 7.98 4.45 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 96 S 7.34 4.17 0.00 3.88 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 0.00 97 E 8.57 4.52 0.00 1.99 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 2.36 2.25 0.00 98 P 0.00 4.33 0.00 1.98 1.94 0.00 3.61 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 1.99 2.05 0.00 99 G 8.75 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 0.00 100 T 7.85 4.49 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 101 I 8.40 3.86 1.97 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 1.70 0.72 1.10 0.00 0.00 102 R 8.44 4.17 0.00 1.86 2.00 0.00 3.37 0.00 0.00 3.19 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.90 0.00 103 G 7.94 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 7.77 4.32 0.00 1.72 1.55 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 0.00 105 F 7.88 4.87 0.00 3.03 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 0.00 106 A 8.02 4.62 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 0.00 107 I 8.17 4.44 1.89 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 1.31 0.73 0.91 0.00 0.00 108 D 7.79 4.76 0.00 2.66 2.49 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 0.00 109 I 8.51 3.62 1.81 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 1.32 0.62 0.84 0.00 0.00 110 G 8.48 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 R 7.71 4.66 0.00 1.74 2.00 0.00 3.45 0.00 0.00 3.25 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.68 0.00 112 N 7.98 4.60 0.00 2.97 3.13 0.00 0.00 5.73 7.68 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 0.00 113 V 8.59 3.41 2.15 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 0.99 0.00 0.00 1.10 0.00 0.00 114 I 8.43 5.38 1.90 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.81 0.87 0.00 0.00 115 H 8.90 4.97 0.00 3.30 3.02 0.00 5.74 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 0.00 116 G 8.05 4.41 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 0.00 117 S 8.24 4.78 0.00 4.03 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 0.00 118 D 9.03 4.53 0.00 2.81 2.87 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 0.00 119 S 7.72 4.58 0.00 4.02 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 0.00 120 V 8.32 3.61 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 1.05 0.00 0.00 0.96 0.00 0.00 121 E 8.30 4.00 0.00 2.07 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 2.40 2.34 0.00 122 S 8.39 4.17 0.00 4.14 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 0.00 123 A 8.29 4.07 1.54 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 0.00 0.00 124 R 8.13 3.91 0.00 2.08 2.03 0.00 3.16 0.00 0.00 3.19 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.93 0.00 125 K 7.92 3.96 0.00 2.07 1.87 0.00 1.70 0.00 0.00 1.66 0.00 0.00 3.13 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.65 7.81 126 E 8.80 3.99 0.00 2.01 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 2.42 2.64 0.00 127 I 8.12 3.81 2.15 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.55 1.03 0.00 0.00 128 A 7.70 4.04 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 0.00 129 L 7.70 3.95 0.00 1.52 1.84 0.38 0.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 130 W 8.40 4.36 0.00 2.92 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 0.00 131 F 8.55 4.92 0.00 3.29 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 0.00 132 P 0.00 4.40 0.00 2.20 2.21 0.00 3.85 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 2.01 1.98 0.00 133 D 8.08 4.39 0.00 2.75 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 0.00 134 G 7.97 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 0.00 135 P 0.00 4.66 0.00 2.04 2.01 0.00 3.76 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 1.94 0.00 136 V 8.48 4.29 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 0.95 0.00 0.00 137 N 8.67 5.14 0.00 2.69 2.75 0.00 0.00 7.02 7.68 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 0.00 138 W 8.04 4.57 0.00 3.51 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 0.00 139 Q 8.64 4.24 0.00 2.02 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.95 0.00 0.00 0.00 0.00 0.00 2.06 2.18 0.00 140 S 7.99 4.36 0.00 3.60 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 0.00 141 S 8.83 4.46 0.00 4.13 4.09 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 0.00 142 V 7.93 4.16 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 1.05 0.00 0.00 1.05 0.00 0.00 143 H 8.21 4.12 0.00 3.52 3.35 0.00 5.84 0.00 0.00 0.00 0.00 6.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 P 0.00 4.18 0.00 1.70 2.00 0.00 3.96 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 1.89 2.02 0.00 145 W 8.49 4.62 0.00 3.35 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 0.00 146 V 7.61 3.88 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 0.22 0.00 0.00 0.95 0.00 0.00 147 Y 7.47 4.59 0.00 2.75 2.72 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 0.00 148 E 8.80 4.14 0.00 2.04 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 2.26 2.33 0.00 149 T 8.43 3.63 4.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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