NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4465 8.3349 115.4126 57.4752 64.3617 173.4920 2 K 3.8119 8.6550 123.6276 56.4317 32.3752 175.0112 3 T 4.2653 8.4851 115.8581 62.4848 69.9233 174.0799 4 N 4.5751 7.9546 120.2509 52.3423 39.7576 173.2275 5 P 4.2701 0.0000 0.0000 65.7646 31.4462 178.9036 6 R 3.8656 8.3451 116.7469 59.2208 30.0837 178.6997 7 L 3.9722 8.0839 119.5950 58.2955 42.0368 179.0143 8 S 4.1257 8.0875 114.9667 61.6624 62.8135 176.8775 9 S 4.0638 8.0457 117.6731 61.5143 62.6176 176.1390 10 L 3.8571 8.1988 123.4306 58.6445 41.8115 179.2411 11 I 3.7343 7.8982 119.0604 64.3142 37.0077 178.3453 12 A 4.0321 8.0761 121.6822 55.1006 18.1685 179.5103 13 D 4.2475 8.5599 117.8377 57.5155 40.9147 178.7766 14 L 3.8996 8.2604 119.8929 57.7919 41.5474 179.8184 15 K 3.9527 8.0382 118.0083 59.5241 32.1249 178.9970 16 S 4.0639 8.1945 113.0843 61.7313 61.9651 176.4627 17 A 3.9764 8.1252 122.7612 55.2130 17.9698 179.3178 18 A 4.9057 7.7514 119.3664 54.9417 18.4254 179.8626 19 R 4.1136 7.9900 115.5364 59.9405 30.5962 178.5677 20 S 3.9743 8.6867 113.1037 63.5779 63.0255 179.1740 21 S 4.4522 7.7506 124.8536 58.8260 64.2467 174.3031 22 G 3.8633 8.6036 108.7189 45.9665 0.0000 174.3656 23 G 3.6888 7.5489 109.0100 45.9077 0.0000 173.8997 24 A 4.4859 8.2434 124.2960 52.4832 20.7046 178.8484 25 V 3.5138 7.2112 110.8614 63.9506 31.5604 178.4091 26 W 4.8639 7.6833 118.5672 59.9685 28.9703 178.6291 27 G 3.6336 8.1914 105.2509 47.4675 0.0000 175.1932 28 D 4.3064 7.8644 119.9475 57.3947 41.3055 178.5537 29 V 3.6219 8.6030 118.8839 65.8910 31.5233 177.7144 30 A 4.0143 8.3579 120.7452 55.3083 17.9967 179.4995 31 E 3.9365 8.0698 116.0294 59.4636 29.8261 179.2973 32 R 4.0408 7.9734 118.6595 59.4484 29.9694 178.6168 33 L 3.7120 7.8561 117.7478 57.6467 41.6352 179.0964 34 E 4.1586 8.0061 117.5690 57.8828 29.5292 177.4767 35 K 4.3592 7.2970 118.0692 54.4886 33.3403 174.7395 36 P 4.3239 0.0000 0.0000 62.9976 31.9140 178.1103 37 R 3.4268 8.5370 120.3497 59.1051 30.2115 179.3956 38 R 3.9372 7.8834 113.4329 58.9200 29.4735 177.7033 39 T 4.1192 7.5952 107.7984 63.5113 69.3199 174.8359 40 H 4.3324 7.8523 119.0076 55.7652 29.4300 174.2699 41 A 4.4008 8.1608 123.1754 51.5433 20.0621 176.6187 42 E 4.7203 8.8287 121.3461 54.5281 31.4415 174.8754 43 V 4.4422 8.6794 124.7758 60.9960 34.3029 174.7496 44 N 5.4776 8.4820 123.9989 51.4137 40.6040 176.1208 45 L 4.1153 8.6955 120.2954 58.0902 41.4918 179.9172 46 G 3.7316 7.9884 105.3727 47.9841 0.0000 175.5603 47 R 4.0624 7.9137 120.6942 58.9659 30.0472 178.7191 48 I 3.7859 7.7101 119.3725 64.3083 37.0551 177.4293 49 E 3.8895 8.0635 118.9356 59.5388 29.3984 178.7419 50 R 3.8318 7.5176 117.1678 58.9443 30.2532 177.2262 51 Y 4.6747 7.4959 111.6252 56.8062 38.8752 175.5271 52 A 4.6762 7.6251 123.7251 50.9856 20.1345 177.0501 53 Q 4.5895 8.1281 116.6141 53.8605 31.7190 174.7260 54 E 4.1233 8.8156 120.0650 58.2060 30.0054 176.2158 55 D 4.3566 8.8214 118.6759 54.8305 38.1704 174.5228 56 E 4.6194 7.6905 120.8904 55.3802 31.6209 174.3333 57 T 4.1163 8.3627 123.3529 64.1505 70.0160 173.5741 58 V 4.4187 9.3166 127.1913 62.0445 32.9817 174.7506 59 V 4.7012 8.8819 129.8702 61.5509 33.1307 174.5945 60 V 4.9049 9.0863 129.6118 59.0553 32.9836 174.8272 61 P 4.7412 0.0000 0.0000 61.8004 31.9985 174.8160 62 G 4.2638 6.5067 115.2514 47.6130 0.0000 175.0903 63 K 4.9702 9.6784 127.7562 54.1904 35.7008 173.9053 64 V 4.6862 8.4101 126.5055 61.4830 33.5019 174.8252 65 L 4.9348 9.6757 128.2720 52.6487 45.1747 176.2601 66 G 4.3752 8.4062 105.3740 46.7614 0.0000 173.9290 67 S 4.4531 8.2344 116.8764 58.9194 64.3941 175.6410 68 G 4.1193 8.9834 110.8322 44.5969 0.0000 172.1075 69 V 4.3768 7.9497 116.8583 60.6405 33.9398 174.6078 70 L 4.8474 8.4926 127.6644 53.5051 43.9525 175.3683 71 Q 4.4758 10.1146 125.8395 56.9597 30.6926 176.9096 72 K 3.8946 8.2932 115.7325 57.3109 33.1156 176.9752 73 D 5.5194 8.5170 123.5513 52.7206 39.5603 174.9957 74 V 4.7462 7.6163 115.5977 59.7093 35.9310 175.0725 75 T 4.9461 8.3181 118.2847 62.1166 70.7508 173.6440 76 V 4.8626 8.7997 126.9653 61.1191 34.1322 174.2063 77 A 5.9400 9.8864 129.3600 49.5829 21.0229 174.7607 78 A 5.1609 8.3903 122.1994 49.1550 22.7651 176.7126 79 V 3.6566 8.5549 119.1922 66.0470 32.1199 175.5104 80 D 4.5563 7.0923 116.8098 53.4731 44.4344 174.3339 81 F 5.4577 8.7744 120.7889 55.2545 42.5848 175.2874 82 S 4.2597 9.3598 118.1396 58.2722 64.0511 175.3793 83 G 3.8254 9.0902 108.4371 48.6777 0.0000 176.0140 84 T 3.8850 7.9379 117.3435 66.7696 68.4763 175.6483 85 A 3.9850 8.5376 122.5869 55.1485 18.3700 178.8543 86 E 3.5427 8.6516 115.6360 59.6282 29.6264 180.1293 87 T 3.8197 7.5243 113.6284 66.6870 68.7553 176.5685 88 K 4.1074 8.4431 120.7802 59.4956 31.9354 179.3857 89 I 3.7526 8.0421 120.2657 64.5470 36.9499 178.1121 90 D 4.7382 7.6155 119.4643 56.2341 40.7317 178.8315 91 Q 4.1816 7.5479 118.5485 58.0606 29.0052 177.2096 92 V 4.4994 7.3132 109.6273 60.7287 34.2198 174.3168 93 G 4.6834 8.0748 112.3681 45.1773 0.0000 174.6382 94 E 4.9672 9.4063 126.5744 54.6520 33.2809 172.9934 95 A 4.7320 9.0357 129.6801 50.6954 20.3086 176.5176 96 V 4.6236 9.1981 121.7772 60.9914 35.8251 174.7375 97 S 5.1080 8.6140 119.7460 57.4318 64.3454 175.1900 98 L 3.8838 8.1084 121.7720 58.1946 40.9698 179.9532 99 E 3.8290 7.6862 118.2275 59.1121 29.2701 179.4056 100 Q 3.9391 8.3312 118.3383 58.8043 28.9342 177.9122 101 A 4.0218 7.9983 121.2691 55.6413 18.2006 179.4275 102 I 2.8715 7.4862 118.1237 64.4444 36.8765 178.3327 103 E 4.0491 7.3902 117.3728 58.9157 29.4864 178.3187 104 N 4.5873 8.4734 116.5274 54.9509 40.3531 175.1832 105 N 5.1457 8.7289 118.2691 50.8311 39.0157 172.7941 106 P 4.6901 0.0000 0.0000 64.7824 31.8029 178.4866 107 E 4.2585 8.6307 117.0951 56.0015 30.1848 176.1147 108 G 3.4214 8.2310 108.6337 46.3322 0.0000 173.0542 109 S 4.5487 8.1149 111.0876 57.2473 66.0430 174.0184 110 H 4.0207 8.4267 116.4610 56.4720 25.6690 174.4871 111 V 4.7959 7.1245 116.2580 60.1716 34.9816 175.8865 112 R 4.4839 8.9886 125.6144 54.5302 31.9716 174.8970 113 V 4.4493 8.3592 127.0317 62.5143 32.2909 174.9770 114 I 4.7352 8.7234 128.9293 59.3624 40.6259 176.2195 115 R 4.1643 8.3120 121.5740 56.4822 29.4369 174.7586 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 S 8.33 4.45 0.00 3.99 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 2 K 8.65 3.81 0.00 1.85 1.80 0.00 1.75 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.29 0.00 0.00 0.00 0.00 1.46 1.45 7.81 3 T 8.49 4.27 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 4 N 7.95 4.58 0.00 2.80 2.69 0.00 0.00 7.23 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 5 P 0.00 4.27 0.00 2.19 2.09 0.00 3.65 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.18 0.00 6 R 8.35 3.87 0.00 1.92 1.96 0.00 3.13 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.79 0.00 7 L 8.08 3.97 0.00 1.75 1.83 0.92 0.99 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 8 S 8.09 4.13 0.00 4.10 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 9 S 8.05 4.06 0.00 4.00 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 10 L 8.20 3.86 0.00 1.67 1.91 0.88 0.99 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 11 I 7.90 3.73 2.02 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 1.45 1.16 0.92 0.00 0.00 12 A 8.08 4.03 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 13 D 8.56 4.25 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 14 L 8.26 3.90 0.00 1.83 1.98 0.93 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.04 3.95 0.00 2.04 1.87 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.92 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.68 7.81 16 S 8.19 4.06 0.00 3.89 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 17 A 8.13 3.98 1.41 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 18 A 7.75 4.91 1.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.99 4.11 0.00 1.95 2.01 0.00 3.21 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.78 0.00 20 S 8.69 3.97 0.00 3.84 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 21 S 7.75 4.45 0.00 4.22 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 22 G 8.60 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 23 G 7.55 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 24 A 8.24 4.49 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 25 V 7.21 3.51 1.71 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 0.59 0.00 0.00 -0.44 0.00 0.00 26 W 7.68 4.86 0.00 3.34 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 27 G 8.19 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 28 D 7.86 4.31 0.00 2.99 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 29 V 8.60 3.62 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 1.02 0.00 0.00 1.16 0.00 0.00 30 A 8.36 4.01 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 E 8.07 3.94 0.00 2.16 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 2.35 2.33 0.00 32 R 7.97 4.04 0.00 1.95 2.04 0.00 3.33 0.00 0.00 3.21 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 33 L 7.86 3.71 0.00 1.63 1.67 0.89 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.01 4.16 0.00 2.23 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 2.46 0.00 35 K 7.30 4.36 0.00 2.03 1.78 0.00 1.74 0.00 0.00 1.72 0.00 0.00 2.97 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.49 1.66 7.81 36 P 0.00 4.32 0.00 2.15 1.96 0.00 3.61 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.12 0.00 37 R 8.54 3.43 0.00 1.78 1.88 0.00 3.11 0.00 0.00 3.35 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.53 0.00 38 R 7.88 3.94 0.00 1.90 2.05 0.00 3.02 0.00 0.00 3.26 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.61 0.00 39 T 7.60 4.12 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 1.21 0.00 0.00 40 H 7.85 4.33 0.00 3.27 3.26 0.00 5.66 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 41 A 8.16 4.40 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 42 E 8.83 4.72 0.00 1.82 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 2.19 2.26 0.00 43 V 8.68 4.44 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 1.01 0.00 0.00 0.93 0.00 0.00 44 N 8.48 5.48 0.00 2.71 2.97 0.00 0.00 7.62 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 L 8.70 4.12 0.00 1.86 1.75 1.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 46 G 7.99 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 47 R 7.91 4.06 0.00 1.92 2.01 0.00 3.16 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 1.91 0.00 48 I 7.71 3.79 2.04 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 1.59 0.49 0.97 0.00 0.00 49 E 8.06 3.89 0.00 2.00 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 2.43 2.35 0.00 50 R 7.52 3.83 0.00 1.69 1.73 0.00 2.38 0.00 0.00 2.73 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 51 Y 7.50 4.67 0.00 2.98 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 52 A 7.63 4.68 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 53 Q 8.13 4.59 0.00 2.19 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.95 6.93 0.00 0.00 0.00 0.00 0.00 2.60 2.38 0.00 54 E 8.82 4.12 0.00 1.98 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 2.55 2.37 0.00 55 D 8.82 4.36 0.00 2.82 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 E 7.69 4.62 0.00 1.80 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 0.00 2.25 2.32 0.00 57 T 8.36 4.12 4.32 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 1.36 0.00 0.00 58 V 9.32 4.42 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 0.97 0.00 0.00 0.99 0.00 0.00 59 V 8.88 4.70 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 1.00 0.00 0.00 1.17 0.00 0.00 60 V 9.09 4.90 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 1.11 0.00 0.00 0.94 0.00 0.00 61 P 0.00 4.74 0.00 2.23 2.23 0.00 3.95 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.95 0.00 62 G 6.51 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 0.00 0.00 0.00 0.00 63 K 9.68 4.97 0.00 1.68 1.56 0.00 1.59 0.00 0.00 1.56 0.00 0.00 2.95 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.26 1.32 7.81 64 V 8.41 4.69 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 1.12 0.00 0.00 0.77 0.00 0.00 65 L 9.68 4.93 0.00 1.74 1.56 0.93 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.41 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 0.00 0.00 0.00 0.00 67 S 8.23 4.45 0.00 4.01 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 68 G 8.98 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 69 V 7.95 4.38 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 0.84 0.00 0.00 0.93 0.00 0.00 70 L 8.49 4.85 0.00 1.60 1.52 1.00 0.73 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 71 Q 10.11 4.48 0.00 1.91 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.54 0.00 0.00 0.00 0.00 0.00 2.29 2.28 0.00 72 K 8.29 3.89 0.00 1.75 1.77 0.00 1.84 0.00 0.00 1.67 0.00 0.00 2.94 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.45 1.84 7.81 73 D 8.52 5.52 0.00 2.80 2.56 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 0.00 74 V 7.62 4.75 2.12 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 0.71 0.00 0.00 1.01 0.00 0.00 75 T 8.32 4.95 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 1.27 0.00 0.00 76 V 8.80 4.86 2.30 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 1.23 0.00 0.00 1.03 0.00 0.00 77 A 9.89 5.94 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 78 A 8.39 5.16 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 V 8.55 3.66 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 0.69 0.00 0.00 0.87 0.00 0.00 80 D 7.09 4.56 0.00 2.66 2.35 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 81 F 8.77 5.46 0.00 2.88 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 82 S 9.36 4.26 0.00 3.90 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 83 G 9.09 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 84 T 7.94 3.89 4.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 85 A 8.54 3.98 1.57 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 86 E 8.65 3.54 0.00 2.02 2.12 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 2.21 2.11 0.00 87 T 7.52 3.82 4.40 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 1.20 0.00 0.00 88 K 8.44 4.11 0.00 1.90 1.87 0.00 1.69 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.69 7.81 89 I 8.04 3.75 1.90 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.87 0.86 0.00 0.00 90 D 7.62 4.74 0.00 2.62 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 91 Q 7.55 4.18 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.78 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 92 V 7.31 4.50 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 0.80 0.00 0.00 0.97 0.00 0.00 93 G 8.07 4.68 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 94 E 9.41 4.97 0.00 2.01 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.22 0.00 95 A 9.04 4.73 0.45 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 0.00 0.00 96 V 9.20 4.62 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 1.10 0.00 0.00 0.94 0.00 0.00 97 S 8.61 5.11 0.00 4.23 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 98 L 8.11 3.88 0.00 1.74 1.62 1.01 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.69 3.83 0.00 1.83 1.93 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 2.28 2.31 0.00 100 Q 8.33 3.94 0.00 2.25 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.68 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 101 A 8.00 4.02 1.41 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 0.00 102 I 7.49 2.87 1.70 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.29 0.64 0.00 0.00 103 E 7.39 4.05 0.00 1.95 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 2.30 2.31 0.00 104 N 8.47 4.59 0.00 2.74 2.90 0.00 0.00 6.72 7.89 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 0.00 105 N 8.73 5.15 0.00 2.84 3.02 0.00 0.00 7.01 8.31 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 0.00 106 P 0.00 4.69 0.00 2.34 2.35 0.00 4.06 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 2.15 2.01 0.00 107 E 8.63 4.26 0.00 2.15 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 2.41 2.40 0.00 108 G 8.23 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 109 S 8.11 4.55 0.00 3.93 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 0.00 110 H 8.43 4.02 0.00 3.33 3.32 0.00 5.59 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.12 4.80 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 0.41 0.00 0.00 0.94 0.00 0.00 112 R 8.99 4.48 0.00 2.08 1.84 0.00 3.12 0.00 0.00 3.08 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 113 V 8.36 4.45 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 0.81 0.00 0.00 0.87 0.00 0.00 114 I 8.72 4.74 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.98 0.96 0.00 0.00 115 R 8.31 4.16 0.00 1.83 1.80 0.00 3.04 0.00 0.00 3.24 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.59 0.00