NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1003 8.0549 120.3913 62.2771 32.4235 175.2396 2 L 3.9130 8.2876 127.6937 52.6248 42.1425 176.1870 3 S 4.4989 9.8261 119.3176 57.8559 66.0965 175.1015 4 E 4.2751 8.8313 121.6047 59.6335 29.2874 179.8928 5 G 3.6278 8.0973 105.2658 47.8014 0.0000 175.4415 6 E 3.9398 8.2731 120.9818 58.9472 29.3743 179.4168 7 W 4.4267 8.2367 119.1324 59.9289 29.0564 178.1914 8 Q 4.0985 8.6385 119.7688 59.2628 28.2946 178.5459 9 L 4.0454 7.9202 119.4796 57.7370 41.7067 179.5380 10 V 3.7644 8.0041 118.1035 66.3293 31.5902 178.0797 11 L 4.3432 8.5864 118.4890 57.4387 41.2694 178.9086 12 H 4.2300 8.4270 118.5481 59.1753 30.1992 177.3442 13 V 3.7598 7.9116 120.9486 64.3116 31.3986 178.2136 14 W 3.8364 8.5170 128.9556 60.0664 30.5204 177.7826 15 A 4.0551 8.2407 120.6773 54.6480 17.2408 179.6446 16 K 3.8140 7.6885 117.1423 59.1530 31.9153 179.6381 17 V 3.0356 7.0677 118.8616 65.3348 31.0414 177.2004 18 E 4.0161 7.0510 114.8965 57.2719 29.4592 178.1341 19 A 4.1798 7.3607 120.3484 53.7589 19.8301 177.7197 20 D 4.6530 7.9303 116.5215 52.1911 42.8529 175.5833 21 V 3.4896 7.8458 123.9500 66.0731 32.1067 176.8100 22 A 4.0639 7.9915 120.0500 54.9351 18.2412 179.6817 23 G 3.6676 8.3680 105.6440 45.5206 0.0000 175.5908 24 H 4.1373 8.1878 119.0634 58.5640 28.6704 178.1853 25 G 3.5666 8.2137 107.5308 47.7321 0.0000 175.8425 26 Q 3.8674 8.1721 120.3266 58.8997 28.7550 178.5646 27 D 4.2858 7.9671 119.8835 57.3305 40.7885 179.0090 28 I 3.6704 7.9693 120.6211 64.4036 37.0644 178.5842 29 L 3.4340 7.8623 119.9093 57.3373 41.1956 179.5053 30 I 3.5752 7.7077 120.1873 64.3724 36.9911 178.3462 31 R 3.7883 7.9093 119.3698 59.2290 29.8779 178.1901 32 L 3.9556 7.8553 120.1282 58.4041 41.7396 179.1043 33 F 4.6024 8.1217 117.8642 60.4442 38.5633 178.0242 34 K 4.0314 8.2575 117.9121 59.6032 31.9843 179.3941 35 S 4.3027 8.2327 114.7032 60.4352 64.0481 174.5976 36 H 4.6587 8.1306 118.4596 52.3844 29.8587 171.9785 37 P 4.6290 0.0000 0.0000 64.1643 31.4218 177.4135 38 E 4.1099 8.2357 116.6154 59.3978 29.3573 179.1219 39 T 4.0799 8.1852 111.5986 64.5819 68.8950 176.4649 40 L 3.6357 7.9531 122.8496 57.6547 41.7982 178.4221 41 E 4.0398 7.7363 116.9725 58.6644 29.6035 178.4030 42 K 4.4289 8.0154 117.0865 57.1785 32.5254 177.2408 43 F 4.6003 8.1782 119.0461 55.7058 39.3557 175.8029 44 D 4.3671 8.5448 125.2160 57.1971 40.4501 178.6660 45 R 3.5919 7.8835 118.1103 58.3613 30.2287 176.6484 46 F 5.0467 8.0688 114.5592 56.5883 40.7612 176.5396 47 K 4.0923 7.6420 119.8492 58.8016 32.4185 177.6757 48 H 4.3902 8.1136 114.4100 56.9956 28.9470 175.0974 49 L 4.3756 7.7395 121.9490 54.2146 41.7032 176.6134 50 K 4.5351 9.5048 122.7795 56.0757 34.0360 176.6258 51 T 4.7424 7.4690 108.7978 58.8568 73.1753 174.1297 52 E 3.8830 8.6949 121.9265 59.4143 29.6888 178.9115 53 A 3.9810 7.9660 120.3999 55.1920 18.2426 179.3214 54 E 3.9302 8.1156 116.2071 59.6675 29.9510 179.0488 55 M 4.1629 8.1829 118.8091 58.5680 31.8804 179.1084 56 K 3.9988 8.2084 116.9999 58.8424 32.2655 178.4166 57 A 4.4634 7.6509 118.8168 51.5815 19.1395 176.9598 58 S 4.3957 7.4798 113.6203 57.0472 62.7268 174.4266 59 E 3.9941 8.8469 129.4124 59.2813 29.4873 177.9154 60 D 4.4324 8.1980 117.8442 57.2940 41.2651 177.8639 61 L 3.5528 8.1656 120.9651 57.6864 42.1201 178.8336 62 K 3.8621 8.0190 119.6550 59.3884 32.1454 178.8473 63 K 3.9841 8.4057 119.1013 59.9640 31.9754 178.8690 64 H 4.4239 8.6863 118.4688 58.9325 29.7564 177.4067 65 G 3.6086 8.3913 108.1838 47.7901 0.0000 175.8726 66 V 3.6208 7.7714 120.1546 65.9369 31.5929 178.0048 67 T 3.8913 8.0218 115.6241 66.8175 68.2700 176.6092 68 V 3.5903 7.9368 119.8152 66.1935 31.6102 178.1519 69 L 4.2492 8.1809 118.4481 57.7263 41.4521 179.6038 70 T 3.9972 8.4248 116.4190 66.4156 68.4643 176.5779 71 A 3.9953 8.0467 122.7625 55.0715 18.3733 179.4505 72 L 3.7705 8.2164 119.1821 58.0372 42.0856 179.3650 73 G 3.2358 8.4730 105.8737 47.7044 0.0000 175.4989 74 A 3.9925 7.7559 122.1679 54.7958 18.6337 179.6027 75 I 3.8181 7.5767 118.1048 64.5304 37.1924 178.6189 76 L 3.9849 7.8985 120.1993 57.6228 41.1870 179.4242 77 K 4.0090 7.8066 116.6164 58.0459 32.2295 178.5056 78 K 4.0042 7.7974 118.3004 55.5584 32.6995 176.4344 79 K 2.0000 8.3896 118.2680 56.4525 29.7783 175.0165 80 G 3.9891 8.0044 106.0150 45.8468 0.0000 174.0697 81 H 4.5807 7.5104 118.8746 55.2843 27.5194 174.9003 82 H 5.3538 7.2741 110.2785 54.4192 29.8851 176.5747 83 E 3.9232 8.4523 122.6415 60.2288 29.2043 178.3278 84 A 4.0552 7.9342 118.9753 55.0736 17.7860 178.9128 85 E 4.1387 8.0966 116.7532 59.3390 29.8028 179.1067 86 L 4.2796 8.2878 119.2454 57.0599 41.5403 178.9969 87 K 3.8015 7.9567 120.0156 59.3421 32.0232 177.0042 88 P 4.2322 0.0000 0.0000 65.4911 31.2398 178.1264 89 L 3.9561 7.5233 120.3912 57.9624 42.0081 178.7186 90 A 4.1235 8.4423 121.0809 55.3524 18.2800 179.6125 91 Q 3.7882 8.2929 116.9307 59.1377 28.7840 179.3112 92 S 3.9647 8.2721 115.4298 61.7048 63.0477 176.2302 93 H 4.1991 8.6751 119.8720 58.0898 27.6433 177.7562 94 A 2.9975 7.9529 123.3279 54.7779 17.9562 179.4138 95 T 3.7076 7.2233 106.0266 62.3851 69.5102 175.4924 96 K 4.1927 7.4440 120.4896 58.1668 33.3408 176.7773 97 H 4.3705 8.0733 113.9814 55.9365 29.3831 175.1257 98 K 3.7784 7.0245 114.0026 57.3875 29.1054 176.4042 99 I 4.2401 7.8634 119.4565 58.8176 38.7272 175.0548 100 P 4.4529 0.0000 0.0000 62.0961 32.1713 177.3359 101 I 3.3920 8.4875 122.3693 64.7520 36.9285 178.5225 102 K 3.6976 7.8907 119.4651 59.5566 31.9610 178.0561 103 Y 4.1416 7.9748 116.5668 60.2799 37.7884 177.8619 104 L 4.2076 7.9585 120.4786 57.3093 41.7117 178.8470 105 E 3.9593 7.8665 119.1060 59.2781 29.6577 178.7066 106 F 4.5008 7.7782 117.8224 60.7806 38.8992 177.5631 107 I 3.9076 8.2021 118.1119 63.8823 37.7373 178.0865 108 S 4.1807 8.3079 116.4657 61.5888 62.6301 176.3642 109 E 4.0580 8.5225 121.0783 59.4525 29.2128 179.3444 110 A 4.0625 8.0823 120.8054 54.9931 18.3646 179.7187 111 I 3.6862 8.1427 118.7050 64.7469 37.2624 178.7056 112 I 3.8502 8.0042 120.5912 64.6209 36.8608 178.0530 113 H 4.1438 8.5089 119.1529 59.3140 29.6822 177.5759 114 V 3.5620 8.0055 120.1138 65.9616 31.3639 178.0078 115 L 3.7569 8.0095 118.9348 57.8032 41.0348 179.0085 116 H 4.4375 8.0042 117.5916 59.2661 29.9011 177.2618 117 S 4.1664 7.9936 116.2323 61.5666 62.8146 176.3989 118 R 4.1050 7.8104 118.5142 57.2814 31.1096 176.3394 119 H 5.0311 8.1057 116.4402 54.0752 29.9550 173.2943 120 P 4.3185 0.0000 0.0000 65.7426 31.6920 179.0017 121 G 3.7252 8.1230 106.4547 47.4218 0.0000 173.6593 122 D 5.0519 8.0846 118.3180 53.9962 41.4386 176.3375 123 F 5.0139 8.0285 120.9671 56.4663 39.7899 175.0058 124 G 3.8895 7.9375 107.7606 44.0393 0.0000 172.7362 125 A 3.9967 8.4228 120.8043 54.8657 18.3029 179.5262 126 D 4.1990 8.0062 117.1155 56.8244 39.3432 178.7581 127 A 3.9802 7.7795 122.0195 54.5345 18.3432 179.4438 128 Q 3.2047 8.0351 117.2310 58.7009 28.6248 179.2073 129 G 3.4930 8.3318 107.0085 47.5865 0.0000 175.6738 130 A 3.8510 7.9662 123.1740 55.1469 18.3274 179.4591 131 M 4.0022 8.4020 117.1016 58.5220 32.2367 177.8288 132 N 4.2880 8.5227 117.7772 56.7726 39.0767 176.9300 133 K 3.8820 8.1573 119.5686 59.4169 32.1059 179.2359 134 A 3.8015 8.1458 121.3215 55.1000 18.2523 179.7320 135 L 4.0861 8.3014 117.7747 57.7415 41.6653 179.5032 136 E 4.0018 8.6307 119.2926 59.2341 29.3639 179.1122 137 L 4.0191 8.2415 120.6281 57.8736 42.1391 178.5151 138 F 4.1396 8.3645 120.7290 61.7111 39.2927 177.4470 139 R 3.6016 8.3139 117.4706 58.8304 29.7906 178.9586 140 K 3.8445 8.4530 119.9043 59.7637 32.1076 178.6427 141 D 4.4052 8.1713 118.9777 57.1066 40.6714 178.9029 142 I 3.5759 7.6711 120.4276 64.1068 36.9168 178.2384 143 A 3.6880 8.2239 121.8851 54.9486 18.1107 179.5578 144 A 3.9427 7.9937 119.4203 55.2246 18.4067 180.0752 145 K 4.0068 7.9036 117.2394 59.6363 32.0802 179.0701 146 Y 4.0775 8.5149 117.4582 61.0935 37.8313 178.7499 147 K 3.9871 8.4850 120.6693 59.3708 32.0662 178.0252 148 E 3.9427 7.9351 118.5341 59.6260 29.6692 178.5746 149 L 4.3897 7.7874 115.3395 55.3628 41.8363 177.7665 150 G 3.8321 8.2771 107.3894 45.9222 0.0000 173.4954 151 Y 4.6189 8.2968 114.1808 57.3106 38.9033 176.7704 152 Q 4.1344 8.3131 123.7141 57.2365 29.5495 176.1314 153 G 4.0283 8.1752 110.4016 45.5625 0.0000 172.8461 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 V 8.05 4.10 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 1.05 0.00 0.00 0.95 0.00 0.00 2 L 8.29 3.91 0.00 0.63 0.64 0.56 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 0.00 0.00 0.00 0.00 3 S 9.83 4.50 0.00 4.02 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 4 E 8.83 4.28 0.00 2.07 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 2.50 2.39 0.00 5 G 8.10 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 6 E 8.27 3.94 0.00 1.95 1.73 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 2.22 2.27 0.00 7 W 8.24 4.43 0.00 3.55 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 8 Q 8.64 4.10 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.42 2.49 0.00 9 L 7.92 4.05 0.00 2.00 1.75 0.92 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 10 V 8.00 3.76 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 1.22 0.00 0.00 0.90 0.00 0.00 11 L 8.59 4.34 0.00 1.85 1.82 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.43 4.23 0.00 3.30 3.57 0.00 5.95 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 13 V 7.91 3.76 2.47 0.00 0.00 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 0.82 0.00 0.00 14 W 8.52 3.84 0.00 3.69 3.23 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 0.00 15 A 8.24 4.06 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 16 K 7.69 3.81 0.00 1.42 1.52 0.00 1.59 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.46 1.43 7.81 17 V 7.07 3.04 0.75 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 -0.03 0.00 0.00 0.08 0.00 0.00 18 E 7.05 4.02 0.00 2.00 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 0.00 2.22 2.08 0.00 19 A 7.36 4.18 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 20 D 7.93 4.65 0.00 2.64 2.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 V 7.85 3.49 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 7.99 4.06 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 23 G 8.37 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.19 4.14 0.00 3.27 3.23 0.00 5.82 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 25 G 8.21 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.17 3.87 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.49 0.00 27 D 7.97 4.29 0.00 2.74 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 I 7.97 3.67 2.01 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 1.51 0.61 0.89 0.00 0.00 29 L 7.86 3.43 0.00 1.24 0.70 0.74 0.44 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 30 I 7.71 3.58 1.84 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 1.36 0.69 0.87 0.00 0.00 31 R 7.91 3.79 0.00 1.89 2.04 0.00 3.06 0.00 0.00 2.98 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 32 L 7.86 3.96 0.00 1.79 1.51 1.09 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 33 F 8.12 4.60 0.00 3.13 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 34 K 8.26 4.03 0.00 1.74 1.83 0.00 1.77 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.61 7.81 35 S 8.23 4.30 0.00 3.73 3.58 0.00 0.00 0.00 0.00 0.00 0.00 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 H 8.13 4.66 0.00 3.01 2.72 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.63 0.00 2.14 2.09 0.00 3.81 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.08 0.00 38 E 8.24 4.11 0.00 2.28 2.27 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 1.97 2.33 0.00 39 T 8.19 4.08 4.56 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 0.00 0.00 0.00 0.99 0.00 0.00 40 L 7.95 3.64 0.00 1.24 1.72 0.03 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.74 4.04 0.00 2.07 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 2.38 2.45 0.00 42 K 8.02 4.43 0.00 1.96 1.73 0.00 1.77 0.00 0.00 1.77 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.76 1.96 7.81 43 F 8.18 4.60 0.00 3.20 2.90 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 0.00 0.00 0.00 44 D 8.54 4.37 0.00 2.65 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 45 R 7.88 3.59 0.00 1.51 1.15 0.00 2.99 0.00 0.00 2.86 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.35 0.00 46 F 8.07 5.05 0.00 2.90 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 47 K 7.64 4.09 0.00 1.69 2.22 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.64 1.40 7.81 48 H 8.11 4.39 0.00 3.31 3.47 0.00 5.52 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 L 7.74 4.38 0.00 1.61 1.59 0.92 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.50 4.54 0.00 1.65 1.80 0.00 1.65 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.54 1.48 7.81 51 T 7.47 4.74 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 1.21 0.00 0.00 52 E 8.69 3.88 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 2.36 2.36 0.00 53 A 7.97 3.98 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 54 E 8.12 3.93 0.00 2.13 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 2.35 0.00 55 M 8.18 4.16 0.00 2.04 2.27 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 2.81 2.59 0.00 56 K 8.21 4.00 0.00 1.83 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.55 7.81 57 A 7.65 4.46 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 58 S 7.48 4.40 0.00 3.95 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 59 E 8.85 3.99 0.00 2.14 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.46 0.00 60 D 8.20 4.43 0.00 2.91 2.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 L 8.17 3.55 0.00 1.39 1.63 -0.20 0.48 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 62 K 8.02 3.86 0.00 1.87 1.98 0.00 1.68 0.00 0.00 1.80 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.41 3.98 0.00 2.17 1.94 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.63 7.81 64 H 8.69 4.42 0.00 3.72 3.51 0.00 5.79 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 65 G 8.39 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 66 V 7.77 3.62 2.27 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 1.13 0.00 0.00 0.98 0.00 0.00 67 T 8.02 3.89 4.38 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 1.26 0.00 0.00 68 V 7.94 3.59 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 1.17 0.00 0.00 1.01 0.00 0.00 69 L 8.18 4.25 0.00 1.82 1.94 0.87 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.42 4.00 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 71 A 8.05 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 72 L 8.22 3.77 0.00 1.60 1.57 0.20 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.74 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.47 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 0.00 0.00 0.00 74 A 7.76 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 75 I 7.58 3.82 1.91 0.00 0.00 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.78 0.95 0.00 0.00 76 L 7.90 3.98 0.00 1.16 1.56 -0.16 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.81 4.01 0.00 1.65 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.15 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.46 1.51 7.81 78 K 7.80 4.00 0.00 1.86 1.80 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.59 1.78 7.81 79 K 8.39 2.00 0.00 1.25 0.74 0.00 1.46 0.00 0.00 1.41 0.00 0.00 2.69 0.00 0.00 3.01 0.00 0.00 0.00 0.00 0.30 0.85 7.81 80 G 8.00 3.99 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 0.00 0.00 0.00 81 H 7.51 4.58 0.00 3.12 3.24 0.00 5.80 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 82 H 7.27 5.35 0.00 3.27 3.43 0.00 5.65 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.45 3.92 0.00 2.12 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 0.00 2.39 2.46 0.00 84 A 7.93 4.06 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 85 E 8.10 4.14 0.00 2.26 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 2.46 0.00 86 L 8.29 4.28 0.00 1.71 1.67 0.92 0.80 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 87 K 7.96 3.80 0.00 2.00 1.82 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.44 1.47 7.81 88 P 0.00 4.23 0.00 2.32 2.30 0.00 3.79 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 2.09 2.03 0.00 89 L 7.52 3.96 0.00 2.02 1.85 0.95 1.19 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 90 A 8.44 4.12 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 91 Q 8.29 3.79 0.00 2.20 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.52 0.00 92 S 8.27 3.96 0.00 3.87 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 H 8.68 4.20 0.00 3.49 3.57 0.00 5.81 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 94 A 7.95 3.00 -0.07 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 95 T 7.22 3.71 4.11 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 0.79 0.00 0.00 96 K 7.44 4.19 0.00 1.55 1.70 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.19 1.34 7.81 97 H 8.07 4.37 0.00 2.98 3.12 0.00 5.83 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 7.02 3.78 0.00 1.91 1.90 0.00 1.75 0.00 0.00 1.86 0.00 0.00 3.08 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 99 I 7.86 4.24 2.02 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 1.30 0.91 1.08 0.00 0.00 100 P 0.00 4.45 0.00 1.70 1.77 0.00 2.30 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 1.10 1.78 0.00 101 I 8.49 3.39 1.71 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 1.15 0.85 0.70 0.00 0.00 102 K 7.89 3.70 0.00 1.75 1.71 0.00 1.56 0.00 0.00 1.75 0.00 0.00 3.18 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.46 0.68 7.81 103 Y 7.97 4.14 0.00 3.10 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 0.00 104 L 7.96 4.21 0.00 1.80 1.80 0.60 0.66 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 0.00 105 E 7.87 3.96 0.00 1.94 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 2.43 2.42 0.00 106 F 7.78 4.50 0.00 3.25 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 0.00 107 I 8.20 3.91 2.03 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 1.11 0.00 0.00 108 S 8.31 4.18 0.00 4.18 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 0.00 109 E 8.52 4.06 0.00 2.30 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 2.67 2.62 0.00 110 A 8.08 4.06 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 0.00 111 I 8.14 3.69 2.07 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 1.61 0.73 1.06 0.00 0.00 112 I 8.00 3.85 2.01 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.10 1.18 0.00 0.00 113 H 8.51 4.14 0.00 3.37 3.48 0.00 5.59 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 8.01 3.56 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 0.96 0.00 0.00 0.95 0.00 0.00 115 L 8.01 3.76 0.00 1.05 0.49 0.81 0.65 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 0.00 116 H 8.00 4.44 0.00 3.57 3.57 0.00 5.95 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 0.00 117 S 7.99 4.17 0.00 3.95 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 0.00 118 R 7.81 4.11 0.00 1.49 1.50 0.00 2.72 0.00 0.00 2.64 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.46 0.00 119 H 8.11 5.03 0.00 3.17 3.19 0.00 5.62 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 P 0.00 4.32 0.00 2.19 2.21 0.00 3.65 0.00 0.00 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.12 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.08 5.05 0.00 2.77 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 0.00 123 F 8.03 5.01 0.00 2.99 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 0.00 124 G 7.94 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 0.00 0.00 0.00 125 A 8.42 4.00 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 0.00 126 D 8.01 4.20 0.00 2.87 2.90 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 0.00 0.00 0.00 127 A 7.78 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 0.00 128 Q 8.04 3.20 0.00 1.93 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 1.74 1.61 0.00 129 G 8.33 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 0.00 0.00 0.00 130 A 7.97 3.85 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 0.00 131 M 8.40 4.00 0.00 2.41 2.48 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.89 0.00 132 N 8.52 4.29 0.00 2.84 2.94 0.00 0.00 7.17 6.46 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 0.00 133 K 8.16 3.88 0.00 1.82 1.67 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.52 7.81 134 A 8.15 3.80 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 0.00 135 L 8.30 4.09 0.00 1.73 1.78 0.97 1.00 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 0.00 136 E 8.63 4.00 0.00 2.21 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 2.53 0.00 137 L 8.24 4.02 0.00 1.86 1.96 0.98 1.03 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 0.00 138 F 8.36 4.14 0.00 3.01 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 0.00 139 R 8.31 3.60 0.00 2.02 1.87 0.00 3.14 0.00 0.00 3.26 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 140 K 8.45 3.84 0.00 1.81 1.97 0.00 1.62 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.17 4.41 0.00 2.72 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 0.00 142 I 7.67 3.58 1.53 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 -0.07 0.44 0.00 0.00 143 A 8.22 3.69 1.23 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 0.00 0.00 0.00 144 A 7.99 3.94 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 0.00 145 K 7.90 4.01 0.00 2.01 1.91 0.00 1.67 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.60 7.81 146 Y 8.51 4.08 0.00 3.05 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 0.00 147 K 8.49 3.99 0.00 1.93 1.98 0.00 1.67 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.94 3.94 0.00 2.04 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 0.00 2.35 2.39 0.00 149 L 7.79 4.39 0.00 1.93 1.94 0.79 1.10 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 0.00 150 G 8.28 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.30 4.62 0.00 2.65 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 0.00 152 Q 8.31 4.13 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.54 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 153 G 8.18 4.03 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 0.00 0.00 0.00