NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4516 8.3049 120.3286 54.8369 33.4869 174.4488 2 E 3.9042 8.3176 119.0402 55.3449 30.0468 175.5923 3 A 4.0251 9.3239 126.6246 52.6462 19.8533 177.4339 4 L 3.9788 8.5944 123.4282 56.9555 41.8799 178.6973 5 G 3.9499 9.9151 104.0382 44.6600 0.0000 172.2276 6 A 4.6572 7.3637 117.5468 50.8574 22.2578 176.1190 7 D 4.7936 9.0395 120.7218 53.1234 42.6545 175.9024 8 V 4.6314 8.4342 122.8150 61.4052 34.2219 175.0763 9 T 4.4664 7.7672 122.1871 61.6501 69.2502 174.2848 10 Q 3.8893 8.8078 125.6099 56.7441 29.0292 177.3689 11 G 4.1182 8.9740 109.6072 45.9060 0.0000 172.7999 12 L 5.0738 8.1125 120.0712 52.7898 46.2109 175.2685 13 E 5.0972 8.7174 119.8157 53.7568 34.2346 175.3243 14 K 4.1061 8.3554 122.6687 58.1119 32.3506 176.9690 15 G 4.0378 9.3875 116.0346 45.0896 0.0000 173.9895 16 S 4.3291 8.0939 116.3898 58.6330 64.1700 173.1154 17 L 5.2009 8.3870 123.0621 53.2357 43.0852 175.8499 18 I 4.7692 9.0948 116.7287 59.1125 41.7898 174.7148 19 T 4.3398 8.5031 119.9039 63.9936 69.6555 173.7348 20 C 4.7743 8.3493 126.3064 56.9242 31.4213 174.6043 21 A 4.5227 8.3017 135.0000 50.8845 16.1124 175.0529 22 D 5.4260 7.7374 119.1517 52.8999 42.3897 174.9611 23 N 5.0421 8.4066 115.4811 53.0729 37.5790 175.5766 24 T 3.9826 8.4928 111.0451 63.6642 69.6327 175.1409 25 G 3.9643 8.3478 109.6003 45.2491 0.0000 172.9661 26 A 4.6505 7.3238 122.0208 51.5399 20.0172 176.8895 27 R 4.3592 9.3131 122.7969 57.6936 32.0270 176.1725 28 E 5.0840 8.0489 118.9803 54.1865 32.9000 174.1987 29 L 5.2435 9.3539 126.2971 52.7675 45.4533 175.1304 30 K 4.8601 8.6449 124.2841 54.3560 34.4407 175.3984 31 V 3.9427 8.8026 128.9893 63.5491 31.9167 175.8546 32 I 4.1997 8.5408 128.2233 62.8116 39.0841 176.0294 33 S 4.6852 7.7722 115.1604 57.1533 68.0424 173.3876 34 V 4.5971 8.2336 121.3240 61.0767 33.5407 174.3969 35 H 4.1235 8.9369 128.3259 58.0819 29.9665 175.2247 36 G 3.8543 8.5648 113.1630 46.0445 0.0000 172.3818 37 Y 4.5843 7.7817 120.5028 56.0203 40.1477 175.3560 38 S 4.3546 7.0613 119.7264 57.1322 66.4047 173.0602 39 G 4.1840 7.8605 119.4839 44.6734 0.0000 175.2115 40 T 4.4462 8.3593 119.4309 59.8155 69.9765 171.8484 41 K 3.8431 8.5095 124.9110 58.3699 32.1521 176.7853 42 N 4.4269 8.9327 121.1171 53.5890 37.0446 174.2058 43 R 4.1689 8.0096 119.5980 55.6985 30.7345 175.4475 44 H 4.5129 8.7269 123.2977 54.5892 29.4829 173.2980 45 P 4.5276 0.0000 0.0000 63.2325 31.8484 175.2112 46 K 5.0658 7.8040 122.9817 54.9390 35.0610 175.2687 47 A 4.7829 9.0669 123.3019 50.7498 23.1504 175.9480 48 G 4.1404 9.2690 107.3819 44.2687 0.0000 171.5851 49 L 4.0265 8.1822 119.2411 56.9215 41.7781 178.1938 50 G 4.1390 8.8046 112.2692 45.2085 0.0000 173.1835 51 D 4.7726 7.9778 120.0510 53.8233 42.6485 175.1772 52 K 4.8844 8.6683 123.1195 55.0588 34.0327 175.1454 53 I 5.0440 8.9091 120.4645 59.3952 41.4851 174.4552 54 T 4.7700 8.7614 120.8397 63.0787 70.1258 174.1305 55 V 5.0637 9.4814 125.2191 61.3877 36.0163 173.7202 56 S 5.1953 8.7058 117.5955 56.3558 66.6624 173.2785 57 V 4.2548 8.2077 122.0141 62.8413 31.6407 176.5228 58 T 4.2152 8.6628 125.7887 65.4058 69.5394 175.8820 59 K 4.5385 8.7132 119.3436 53.5621 36.3432 177.3691 60 G 3.7986 8.2346 110.0345 45.6325 0.0000 172.5301 61 T 4.1223 7.4814 111.6614 60.8390 70.7262 173.4473 62 P 4.2095 0.0000 0.0000 66.3161 31.4893 178.6084 63 E 4.1052 8.0870 115.3005 59.2459 29.4623 178.5933 64 M 4.2028 7.4110 117.0841 56.6981 32.9358 177.2955 65 R 4.0255 7.4580 117.4714 57.7177 30.8502 178.0496 66 R 3.9517 8.5025 116.7180 57.0520 29.7586 176.9975 67 Q 4.1518 7.7663 118.0058 55.7620 30.0780 175.5772 68 V 4.3508 8.3309 123.4834 61.8324 32.2051 174.5855 69 L 4.9009 8.9239 127.8316 52.8022 46.0060 175.2734 70 E 4.9078 8.4895 120.2025 55.5102 31.9236 174.2950 71 A 4.9372 8.8570 125.4886 50.9745 23.7268 174.9756 72 V 4.4698 8.2705 118.7304 60.8413 34.6493 174.8208 73 V 3.9677 8.5162 128.3938 62.9532 31.9624 176.2443 74 V 4.2554 8.7649 127.1594 63.3288 34.0613 175.1768 75 R 4.1705 7.4643 117.7355 54.8468 34.7661 173.8823 76 Q 5.0088 8.0558 118.3588 55.1814 31.5182 175.8134 77 R 4.2119 9.3534 121.1147 59.0364 30.4667 177.6739 78 K 4.2072 7.9052 119.2120 55.4615 32.9673 175.3853 79 P 4.9066 0.0000 0.0000 63.0360 32.7442 175.0465 80 I 4.9183 8.6680 114.3853 59.2128 41.5432 173.8580 81 R 5.0173 9.0382 124.0230 54.8686 32.2821 175.2583 82 R 4.7732 8.6873 124.9455 54.0738 32.1331 175.7430 83 P 3.8621 0.0000 0.0000 65.9540 31.4402 176.9375 84 D 4.6007 8.0769 114.7124 53.1207 39.4496 177.2781 85 G 4.0063 8.8797 110.1277 45.9530 0.0000 174.5639 86 T 4.1219 7.6700 117.0092 63.7311 69.5230 173.9955 87 R 5.0070 8.4339 123.6112 55.0689 32.4378 175.9411 88 V 4.5126 8.7684 121.5733 61.0481 34.7659 174.4417 89 K 5.0294 8.3698 125.2165 55.4972 35.9928 175.0396 90 F 4.7737 8.6414 119.8488 55.7109 41.3713 175.3883 91 E 4.1611 9.0546 119.7209 58.7087 29.6767 174.9312 92 D 4.8366 7.7860 115.6841 52.3412 43.1766 173.7386 93 N 5.2316 8.6958 114.7289 51.6585 40.9739 174.1842 94 A 5.2057 8.7206 124.0144 50.4945 23.3882 174.5615 95 A 5.0180 9.1424 120.9874 50.1757 23.6992 175.1283 96 V 4.5966 8.2880 118.8841 60.7278 34.3200 175.3415 97 I 4.3554 8.4503 128.8088 61.8092 38.1367 175.4630 98 V 4.9395 8.6112 124.4147 60.5938 34.9945 174.3141 99 D 4.9350 8.2450 121.2473 51.5962 41.8669 176.3345 100 E 3.8984 8.8743 117.3370 60.0754 29.3062 178.0464 101 N 4.5668 8.9987 113.3666 53.3417 38.9676 175.3117 102 E 3.8543 8.4894 117.3137 57.0337 27.5298 173.6397 103 D 5.0422 8.2565 118.0443 51.0846 42.3205 174.3994 104 P 4.6532 0.0000 0.0000 63.1042 31.6163 176.5074 105 R 3.9101 8.3989 122.3217 59.0214 30.2407 176.9008 106 G 3.9944 7.6929 105.3853 45.0638 0.0000 172.3004 107 T 4.4853 8.5670 113.3471 63.5365 70.7019 174.6280 108 E 4.8132 9.2511 120.3389 54.3752 33.9119 174.5930 109 L 5.0207 8.5217 122.4341 53.1245 43.7674 175.8603 110 K 4.3216 8.7238 123.7144 56.1468 33.3569 177.8623 111 G 3.9521 8.9424 110.5902 44.0669 0.0000 170.5506 112 P 4.8774 0.0000 0.0000 62.7865 32.5317 175.6373 113 I 4.7582 8.3768 118.8615 59.3629 42.0664 174.7059 114 A 4.9544 8.4349 126.8928 51.1217 19.0447 178.8750 115 R 3.9021 9.0678 119.6506 59.7658 29.0772 178.9012 116 E 3.9323 8.3667 118.5665 59.3007 29.4392 179.2279 117 V 3.8596 7.9122 117.3142 64.9804 31.4378 178.0295 118 A 3.9916 8.2046 121.2596 55.5283 18.2208 179.2732 119 Q 4.0742 7.3471 112.2713 57.6303 28.9757 177.2878 120 R 4.0415 7.8509 116.9464 57.1108 32.4436 176.3725 121 F 4.8179 7.5003 120.0773 54.8844 39.1581 176.1405 122 G 3.6614 8.4343 112.4964 47.6220 0.0000 172.6766 123 S 4.5799 8.0614 117.4213 60.3000 62.8757 176.7797 124 V 3.5470 7.8132 121.5147 65.9234 31.4326 177.6746 125 A 4.1214 8.1628 120.8154 54.9510 18.0979 179.2695 126 S 4.6954 8.7440 111.1159 58.8537 63.1611 175.4692 127 A 4.5967 7.7349 123.3614 52.0238 20.5246 177.5660 128 A 4.1907 7.9682 118.9539 52.6867 19.1287 177.7018 129 T 4.2681 8.5201 117.5951 65.5801 69.6410 175.4401 130 M 4.8444 7.8041 119.7531 53.4514 35.8964 174.8084 131 I 4.6216 8.4243 123.0858 59.5259 39.4195 175.6149 132 V 3.9510 8.9098 127.2501 62.8927 31.5307 175.6564 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 4.45 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.60 0.00 2 E 8.32 3.90 0.00 1.93 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.32 0.00 3 A 9.32 4.03 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 4 L 8.59 3.98 0.00 1.66 1.76 0.99 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.92 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 0.00 0.00 0.00 6 A 7.36 4.66 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 D 9.04 4.79 0.00 2.60 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 8 V 8.43 4.63 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 0.86 0.00 0.00 0.96 0.00 0.00 9 T 7.77 4.47 4.26 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 1.22 0.00 0.00 10 Q 8.81 3.89 0.00 1.88 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.03 0.00 0.00 0.00 0.00 0.00 2.44 2.48 0.00 11 G 8.97 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 8.11 5.07 0.00 1.68 1.48 0.88 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 13 E 8.72 5.10 0.00 1.88 1.81 0.00 0.00 0.00 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 2.21 0.00 14 K 8.36 4.11 0.00 1.71 1.70 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.92 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.43 1.54 7.81 15 G 9.39 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 16 S 8.09 4.33 0.00 3.85 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 17 L 8.39 5.20 0.00 1.50 1.57 0.96 0.75 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 18 I 9.09 4.77 1.98 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.91 0.88 0.00 0.00 19 T 8.50 4.34 4.34 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 1.19 0.00 0.00 20 C 8.35 4.77 0.00 2.98 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 21 A 8.30 4.52 1.33 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 0.00 0.00 22 D 7.74 5.43 0.00 2.78 2.62 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 23 N 8.41 5.04 0.00 2.80 2.89 0.00 0.00 5.94 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 24 T 8.49 3.98 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 25 G 8.35 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.32 4.65 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 27 R 9.31 4.36 0.00 1.84 1.95 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.55 0.00 28 E 8.05 5.08 0.00 1.99 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 2.24 2.28 0.00 29 L 9.35 5.24 0.00 1.53 1.48 0.88 0.73 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 30 K 8.64 4.86 0.00 1.79 1.63 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.31 1.33 7.81 31 V 8.80 3.94 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 0.84 0.00 0.00 0.93 0.00 0.00 32 I 8.54 4.20 1.97 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 1.22 0.92 0.91 0.00 0.00 33 S 7.77 4.69 0.00 3.74 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 34 V 8.23 4.60 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 0.95 0.00 0.00 0.81 0.00 0.00 35 H 8.94 4.12 0.00 3.17 3.39 0.00 6.11 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.56 3.85 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 0.00 0.00 0.00 37 Y 7.78 4.58 0.00 2.93 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 38 S 7.06 4.35 0.00 3.82 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 39 G 7.86 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 40 T 8.36 4.45 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 1.23 0.00 0.00 41 K 8.51 3.84 0.00 1.75 1.75 0.00 1.93 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.44 1.51 7.81 42 N 8.93 4.43 0.00 2.94 2.99 0.00 0.00 7.04 7.66 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 43 R 8.01 4.17 0.00 1.80 2.06 0.00 3.38 0.00 0.00 3.37 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 44 H 8.73 4.51 0.00 3.28 3.21 0.00 5.79 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 45 P 0.00 4.53 0.00 2.10 2.41 0.00 3.70 0.00 0.00 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.03 0.00 46 K 7.80 5.07 0.00 1.71 1.72 0.00 1.49 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.24 0.00 0.00 0.00 0.00 1.04 1.17 7.81 47 A 9.07 4.78 1.11 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 0.00 0.00 48 G 9.27 4.14 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 0.00 0.00 0.00 49 L 8.18 4.03 0.00 1.69 1.70 1.05 0.70 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 50 G 8.80 4.14 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 0.00 0.00 0.00 51 D 7.98 4.77 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 52 K 8.67 4.88 0.00 1.89 1.71 0.00 1.57 0.00 0.00 1.81 0.00 0.00 2.77 0.00 0.00 2.61 0.00 0.00 0.00 0.00 1.38 1.45 7.81 53 I 8.91 5.04 1.98 0.00 0.00 0.81 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 1.13 0.88 0.00 0.00 54 T 8.76 4.77 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 1.26 0.00 0.00 55 V 9.48 5.06 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 1.13 0.00 0.00 0.89 0.00 0.00 56 S 8.71 5.20 0.00 3.89 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 57 V 8.21 4.25 2.21 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 0.92 0.00 0.00 0.95 0.00 0.00 58 T 8.66 4.22 4.34 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 1.35 0.00 0.00 59 K 8.71 4.54 0.00 1.71 1.62 0.00 1.79 0.00 0.00 1.81 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.41 1.41 7.81 60 G 8.23 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 T 7.48 4.12 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 1.24 0.00 0.00 62 P 0.00 4.21 0.00 2.03 2.17 0.00 3.67 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.19 0.00 63 E 8.09 4.11 0.00 1.93 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 2.31 2.34 0.00 64 M 7.41 4.20 0.00 2.00 2.10 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.70 0.00 65 R 7.46 4.03 0.00 2.01 1.88 0.00 3.26 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 66 R 8.50 3.95 0.00 1.97 2.05 0.00 3.16 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.57 0.00 67 Q 7.77 4.15 0.00 2.20 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 68 V 8.33 4.35 2.07 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 0.79 0.00 0.00 0.92 0.00 0.00 69 L 8.92 4.90 0.00 1.54 1.48 0.90 0.51 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 70 E 8.49 4.91 0.00 2.01 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 2.25 2.27 0.00 71 A 8.86 4.94 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 V 8.27 4.47 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 0.61 0.00 0.00 -0.28 0.00 0.00 73 V 8.52 3.97 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 0.83 0.00 0.00 0.91 0.00 0.00 74 V 8.76 4.26 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 0.80 0.00 0.00 0.93 0.00 0.00 75 R 7.46 4.17 0.00 1.47 1.32 0.00 3.08 0.00 0.00 3.50 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.23 0.00 76 Q 8.06 5.01 0.00 2.08 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 77 R 9.35 4.21 0.00 1.83 2.07 0.00 3.18 0.00 0.00 3.17 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.59 0.00 78 K 7.91 4.21 0.00 1.77 1.74 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.51 1.55 7.81 79 P 0.00 4.91 0.00 2.12 1.96 0.00 3.60 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.10 0.00 80 I 8.67 4.92 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 1.36 1.19 1.01 0.00 0.00 81 R 9.04 5.02 0.00 1.85 1.81 0.00 3.08 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.57 0.00 82 R 8.69 4.77 0.00 1.81 1.82 0.00 3.22 0.00 0.00 3.17 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.61 0.00 83 P 0.00 3.86 0.00 2.03 2.16 0.00 3.67 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.17 0.00 84 D 8.08 4.60 0.00 2.78 2.76 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 85 G 8.88 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.67 4.12 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 1.19 0.00 0.00 87 R 8.43 5.01 0.00 1.67 1.83 0.00 3.32 0.00 0.00 3.15 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 88 V 8.77 4.51 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 0.71 0.00 0.00 0.89 0.00 0.00 89 K 8.37 5.03 0.00 1.95 1.70 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.75 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.23 1.40 7.81 90 F 8.64 4.77 0.00 3.15 3.07 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 91 E 9.05 4.16 0.00 1.98 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.26 0.00 92 D 7.79 4.84 0.00 2.66 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 93 N 8.70 5.23 0.00 2.62 2.71 0.00 0.00 6.47 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 94 A 8.72 5.21 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 95 A 9.14 5.02 1.14 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 0.00 0.00 96 V 8.29 4.60 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 0.92 0.00 0.00 0.87 0.00 0.00 97 I 8.45 4.36 1.83 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 1.24 0.73 0.90 0.00 0.00 98 V 8.61 4.94 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 0.58 0.00 0.00 0.89 0.00 0.00 99 D 8.24 4.93 0.00 2.93 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 0.00 100 E 8.87 3.90 0.00 1.98 2.08 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 2.32 2.36 0.00 101 N 9.00 4.57 0.00 2.95 2.87 0.00 0.00 7.18 8.30 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 0.00 102 E 8.49 3.85 0.00 2.24 2.29 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 2.25 2.32 0.00 103 D 8.26 5.04 0.00 2.90 2.57 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 0.00 104 P 0.00 4.65 0.00 2.15 2.05 0.00 3.77 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.96 0.00 105 R 8.40 3.91 0.00 1.80 1.97 0.00 3.23 0.00 0.00 3.21 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.69 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 0.00 107 T 8.57 4.49 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 0.00 108 E 9.25 4.81 0.00 1.81 1.77 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 2.21 2.25 0.00 109 L 8.52 5.02 0.00 1.51 1.56 0.98 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.72 4.32 0.00 1.62 1.73 0.00 1.71 0.00 0.00 1.70 0.00 0.00 2.95 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.40 1.37 7.81 111 G 8.94 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 0.00 0.00 0.00 112 P 0.00 4.88 0.00 2.29 2.17 0.00 3.77 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 2.17 2.13 0.00 113 I 8.38 4.76 1.90 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 1.12 0.79 0.92 0.00 0.00 114 A 8.43 4.95 1.48 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 0.00 115 R 9.07 3.90 0.00 2.07 2.26 0.00 3.01 0.00 0.00 3.35 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.77 0.00 116 E 8.37 3.93 0.00 2.12 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 2.44 2.58 0.00 117 V 7.91 3.86 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 1.21 0.00 0.00 1.00 0.00 0.00 118 A 8.20 3.99 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 0.00 119 Q 7.35 4.07 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.66 0.00 0.00 0.00 0.00 0.00 2.38 2.41 0.00 120 R 7.85 4.04 0.00 1.13 0.66 0.00 2.96 0.00 0.00 2.94 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 1.32 0.00 121 F 7.50 4.82 0.00 3.16 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 0.00 122 G 8.43 3.66 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 0.00 0.00 0.00 123 S 8.06 4.58 0.00 4.08 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 0.00 124 V 7.81 3.55 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 1.04 0.00 0.00 0.90 0.00 0.00 125 A 8.16 4.12 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 0.00 126 S 8.74 4.70 0.00 4.03 4.14 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 0.00 127 A 7.73 4.60 1.33 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 0.00 0.00 128 A 7.97 4.19 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 0.00 129 T 8.52 4.27 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 1.22 0.00 0.00 130 M 7.80 4.84 0.00 1.95 1.94 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.54 0.00 131 I 8.42 4.62 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.91 3.95 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 0.84 0.00 0.00 0.99 0.00 0.00