NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 K 4.2651 8.3144 120.1357 56.3882 33.5521 173.9392 2 E 4.4373 8.3266 120.3018 52.4685 31.3280 174.6844 3 S 4.4217 8.8197 123.0681 57.9451 66.3427 174.5878 4 A 4.0030 8.5138 123.9379 55.3103 18.0599 179.9465 5 A 4.0257 7.9976 118.7387 55.1617 18.4849 179.5765 6 A 4.0347 7.7982 119.5697 54.9946 18.3925 179.7921 7 K 4.0101 8.4972 118.7126 59.5556 32.2813 178.7748 8 F 4.0465 8.3739 121.0052 61.3674 39.3109 176.9597 9 E 4.0101 8.2305 117.8717 59.3670 29.0432 179.3544 10 R 3.8239 7.8514 117.7242 59.5991 30.2995 178.2993 11 Q 4.0379 8.0871 116.4186 57.7473 28.8819 176.3392 12 H 4.6775 7.8123 113.4073 54.8967 30.7427 172.9976 13 M 4.5356 7.7563 119.9878 53.7654 33.5179 176.6101 14 D 4.7391 8.1605 122.6714 52.7687 41.8753 174.4047 15 S 4.2479 8.1299 117.1897 57.3047 63.9788 174.6705 16 G 4.3810 7.8919 117.7617 45.7532 0.0000 172.2317 17 N 4.6381 8.4522 118.1741 54.6096 39.7339 176.4920 18 S 4.7200 7.5871 112.6455 55.7206 63.3979 172.3260 19 P 4.2100 0.0000 0.0000 66.3239 31.3266 178.1980 20 S 4.5808 7.8415 110.2353 57.5500 63.6072 173.9660 21 S 4.2248 7.8443 116.8568 58.7078 62.8640 175.4898 22 S 4.2719 8.6477 120.2737 60.9779 62.9637 176.3368 23 S 4.3124 7.8292 114.6009 60.3928 63.1129 174.6260 24 N 4.6645 8.2808 118.0133 53.9289 39.2392 176.0880 25 Y 4.0295 8.0097 119.9627 61.2392 38.7023 177.4705 26 C 4.1210 8.2451 116.4288 60.1228 38.3987 175.8782 27 N 4.4527 8.2290 117.3485 56.5667 38.1427 177.3381 28 L 3.9577 7.7503 120.0794 57.9030 41.6431 179.5166 29 M 3.6648 8.0721 118.9172 58.5153 31.6716 178.7401 30 M 4.0419 8.2146 119.2461 58.2785 32.0234 178.5129 31 C 4.0799 7.7211 118.3246 62.6100 31.6471 174.9806 32 C 3.9538 8.0218 119.6504 62.6687 31.1273 174.5660 33 R 4.2799 8.2307 115.6199 55.5755 29.6479 176.4789 34 K 3.8476 7.6659 115.8756 58.3946 30.0059 175.7509 35 M 4.6488 8.4676 115.1414 55.3051 32.5382 177.2637 36 T 5.2899 7.5866 107.8742 60.5319 69.0161 174.3295 37 Q 4.3259 8.2832 122.7120 56.6784 28.7321 177.1933 38 G 3.6117 9.7332 111.9744 45.0653 0.0000 171.7064 39 K 3.7486 6.6275 116.2023 56.5814 35.4108 173.0536 40 C 5.1183 8.6120 117.1106 54.7070 41.4597 174.0572 41 K 4.1908 8.6768 127.4867 55.7467 32.3781 174.8008 42 P 4.7069 0.0000 0.0000 65.1903 32.3688 176.4158 43 V 5.0200 7.5890 117.5561 61.4218 34.9741 173.6884 44 N 4.7214 9.0522 124.0761 52.7553 42.7824 172.8892 45 T 4.7302 7.7973 121.8919 61.6677 70.8724 173.4859 46 F 4.6852 8.8596 124.8007 55.7449 41.5778 174.7600 47 V 4.4578 8.3715 122.3991 61.1164 33.4061 174.8932 48 H 5.0250 8.8581 125.1807 55.8852 29.2691 174.7529 49 E 4.6427 8.1169 117.3508 54.1989 31.8866 176.1391 50 S 4.3168 8.2261 114.7209 58.0336 63.8903 175.1254 51 L 3.9664 8.6452 123.2548 58.3961 41.7354 179.3202 52 A 4.0375 7.5265 120.2863 55.2166 18.0760 179.3875 53 D 4.3249 7.8603 116.4002 57.3822 41.1791 178.8874 54 V 3.7618 7.7050 118.3532 65.9617 31.6745 178.0803 55 K 3.9575 8.5770 118.4967 59.3539 31.8988 179.0383 56 A 4.0821 7.9312 120.1335 54.4970 18.1314 179.6884 57 V 3.7842 7.6676 117.2571 66.0982 31.3466 177.1466 58 C 3.7638 8.0049 115.4044 58.2565 39.8759 174.3747 59 S 4.6619 7.4505 114.2462 57.8990 63.6301 174.8721 60 Q 4.6159 7.6884 121.2248 55.8300 28.3173 176.4053 61 K 4.0672 8.2818 127.1362 57.4997 33.1751 176.4375 62 K 3.8406 8.5526 129.8280 56.0322 33.0208 176.0267 63 V 4.5212 8.3762 119.8109 59.7593 36.6340 174.5887 64 T 4.3091 8.2070 117.9726 62.9702 69.4977 176.1316 65 C 4.7424 9.0375 123.3777 56.0686 41.1465 175.0043 66 K 3.7451 8.6830 121.4864 59.4912 31.6392 177.9881 67 N 4.6144 8.0790 113.5491 52.6834 37.6262 174.6565 68 G 4.0759 8.1089 108.1648 45.9941 0.0000 174.8199 69 Q 4.1737 8.3799 118.3268 56.3146 29.1657 176.4787 70 T 4.6390 8.3136 109.7028 61.6935 69.2193 173.9464 71 N 5.0188 7.9831 117.9182 54.0744 38.6985 174.6075 72 C 5.4989 7.6032 115.7101 56.6785 44.0861 172.6992 73 Y 5.0039 9.1079 118.7992 56.2615 41.8177 173.9755 74 Q 5.2923 9.0019 124.8595 53.9636 31.6544 174.9364 75 S 4.7943 8.7388 121.8165 58.2973 63.2007 174.7597 76 K 4.0967 9.4125 123.0527 59.3891 32.6248 177.4341 77 S 4.7275 7.7296 113.8744 56.5685 65.0070 173.2711 78 T 4.3373 7.9137 111.8292 61.7746 70.1654 173.7662 79 M 5.0484 8.9570 121.0088 53.6149 37.1784 174.7727 80 R 4.7358 9.2397 121.2973 55.9677 31.3725 175.8722 81 I 5.1075 8.8072 117.0318 59.4141 41.9247 174.2757 82 T 5.0683 8.8537 119.8788 61.9347 71.4614 172.5857 83 D 4.9092 9.3033 127.4660 53.4433 43.1923 174.3018 84 C 5.5609 8.8560 122.7201 55.2409 41.8069 172.9705 85 R 5.2733 8.9440 123.9623 54.1601 32.8454 174.1784 86 E 4.1504 9.2127 126.0356 57.1212 30.8648 177.4951 87 T 4.1751 8.5787 114.2321 60.3692 70.2886 175.8586 88 G 3.6672 8.7012 110.6939 48.6451 0.0000 174.5854 89 S 4.4435 7.8131 111.1716 57.6680 63.5769 173.9815 90 S 3.9905 7.5739 117.2195 58.6179 62.5320 173.5748 91 K 4.4173 8.8898 128.6773 54.9004 34.9217 174.3621 92 Y 4.1688 8.8224 127.5582 57.9078 38.9333 173.9100 93 P 3.0790 0.0000 0.0000 62.6758 32.1351 176.9019 94 N 4.6915 8.1068 119.3791 52.3285 37.1418 173.6281 95 C 4.6354 7.7556 116.2870 56.7258 42.8902 173.5027 96 A 5.0028 8.5790 125.0534 50.4462 22.2132 174.5395 97 Y 5.1368 9.1117 118.0085 56.1173 42.2833 174.7667 98 K 4.6058 9.5706 124.0989 55.4332 34.4667 175.0381 99 T 5.1181 8.5476 123.3521 62.3645 70.5082 174.0027 100 T 4.6102 9.0203 122.9229 61.8882 72.0563 172.8242 101 Q 4.9725 8.7814 125.8194 54.7109 30.3296 175.3907 102 V 4.5868 8.7379 116.3564 59.8574 37.1784 174.2178 103 E 5.0788 8.7348 119.8524 54.9943 31.8090 175.4936 104 K 4.7347 8.6949 123.0868 54.9351 37.6990 175.3611 105 H 4.8889 9.7259 119.0487 55.6297 30.1444 174.9732 106 I 4.8226 8.4419 115.2445 59.2726 40.6073 174.3815 107 I 4.8787 8.3245 125.1890 59.7534 39.7290 175.1012 108 V 4.6841 8.5826 119.5303 59.3007 35.9507 174.3561 109 A 5.0943 8.7483 124.5827 51.0140 20.6824 175.5945 110 C 5.4107 9.2414 120.3670 55.4540 37.6048 173.5008 111 G 4.0865 8.9699 108.3866 46.1476 0.0000 173.0455 112 G 4.3458 9.6705 107.2389 44.7950 0.0000 172.8935 113 K 4.4583 8.0187 118.9091 53.8131 34.2919 174.0106 114 P 4.3594 0.0000 0.0000 62.3834 31.8603 175.8612 115 S 4.4665 8.4269 115.0893 58.9392 62.7680 173.6159 116 V 4.6182 8.4583 119.1544 58.6123 36.3092 173.2247 117 P 4.8929 0.0000 0.0000 63.3564 31.3436 176.7344 118 V 4.5186 8.9320 115.3545 61.0991 33.9054 175.1319 119 H 4.7667 7.9465 118.7340 55.0317 33.2799 171.7551 120 F 4.4658 8.6778 127.5873 57.4999 39.6933 174.3252 121 D 4.5158 8.1019 126.4782 55.4605 42.0094 175.6301 122 A 4.6359 6.4450 117.0361 51.7967 22.6743 174.3223 123 S 5.2038 8.7569 111.6961 56.9473 66.4743 174.7431 124 V 4.1428 8.7943 120.8147 62.1340 31.5451 174.9303 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 K 8.31 4.27 0.00 1.77 1.86 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.90 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.35 1.44 7.81 2 E 8.33 4.44 0.00 1.98 1.82 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 2.20 2.37 0.00 3 S 8.82 4.42 0.00 4.10 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 4 A 8.51 4.00 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 5 A 8.00 4.03 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 6 A 7.80 4.03 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 7 K 8.50 4.01 0.00 1.97 2.01 0.00 1.66 0.00 0.00 1.60 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.45 7.81 8 F 8.37 4.05 0.00 3.22 3.28 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 9 E 8.23 4.01 0.00 2.28 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 2.49 2.71 0.00 10 R 7.85 3.82 0.00 1.78 2.07 0.00 3.23 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.63 0.00 11 Q 8.09 4.04 0.00 1.55 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.47 0.00 0.00 0.00 0.00 0.00 2.28 2.51 0.00 12 H 7.81 4.68 0.00 2.18 2.87 0.00 5.63 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 M 7.76 4.54 0.00 2.02 2.12 0.00 0.00 0.00 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.68 0.00 14 D 8.16 4.74 0.00 2.53 2.50 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.13 4.25 0.00 3.91 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 16 G 7.89 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 0.00 0.00 0.00 0.00 17 N 8.45 4.64 0.00 2.73 2.88 0.00 0.00 6.73 7.57 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 18 S 7.59 4.72 0.00 3.95 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 19 P 0.00 4.21 0.00 2.19 2.24 0.00 3.75 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.97 0.00 20 S 7.84 4.58 0.00 4.00 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 21 S 7.84 4.22 0.00 3.93 3.90 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 22 S 8.65 4.27 0.00 4.00 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 23 S 7.83 4.31 0.00 4.07 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 24 N 8.28 4.66 0.00 2.93 2.90 0.00 0.00 6.42 6.77 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 25 Y 8.01 4.03 0.00 3.11 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 26 C 8.25 4.12 0.00 3.18 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 N 8.23 4.45 0.00 2.95 2.93 0.00 0.00 7.12 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 28 L 7.75 3.96 0.00 1.65 1.59 0.89 0.93 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 29 M 8.07 3.66 0.00 0.86 1.18 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 1.37 0.00 30 M 8.21 4.04 0.00 1.70 1.90 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 2.38 0.00 31 C 7.72 4.08 0.00 3.08 3.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32 C 8.02 3.95 0.00 2.88 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 33 R 8.23 4.28 0.00 1.99 2.01 0.00 3.58 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 1.69 1.88 0.00 34 K 7.67 3.85 0.00 1.93 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.39 1.55 7.81 35 M 8.47 4.65 0.00 2.03 2.01 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 2.68 2.42 0.00 36 T 7.59 5.29 4.45 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 1.43 0.00 0.00 37 Q 8.28 4.33 0.00 2.13 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.73 0.00 0.00 0.00 0.00 0.00 2.42 2.37 0.00 38 G 9.73 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 39 K 6.63 3.75 0.00 1.79 1.65 0.00 1.21 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.73 0.00 0.00 0.00 0.00 1.16 1.27 7.81 40 C 8.61 5.12 0.00 3.10 3.16 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 0.00 0.00 0.00 0.00 41 K 8.68 4.19 0.00 1.83 1.79 0.00 1.78 0.00 0.00 1.68 0.00 0.00 3.24 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.59 1.40 7.81 42 P 0.00 4.71 0.00 2.20 2.33 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 2.11 1.84 0.00 43 V 7.59 5.02 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 0.76 0.00 0.00 0.98 0.00 0.00 44 N 9.05 4.72 0.00 2.65 2.24 0.00 0.00 6.93 6.81 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 45 T 7.80 4.73 2.69 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 0.75 0.00 0.00 46 F 8.86 4.69 0.00 3.01 2.89 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 47 V 8.37 4.46 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 0.99 0.00 0.00 48 H 8.86 5.02 0.00 3.07 3.26 0.00 5.69 0.00 0.00 0.00 0.00 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 8.12 4.64 0.00 1.97 1.89 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 2.26 2.24 0.00 50 S 8.23 4.32 0.00 4.01 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 L 8.65 3.97 0.00 1.79 1.73 0.94 1.15 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 52 A 7.53 4.04 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 D 7.86 4.32 0.00 2.85 2.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54 V 7.71 3.76 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 1.12 0.00 0.00 1.00 0.00 0.00 55 K 8.58 3.96 0.00 1.86 1.82 0.00 1.72 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.45 1.57 7.81 56 A 7.93 4.08 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 57 V 7.67 3.78 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 1.19 0.00 0.00 1.03 0.00 0.00 58 C 8.00 3.76 0.00 2.91 2.77 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 59 S 7.45 4.66 0.00 3.92 3.81 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 0.00 0.00 0.00 60 Q 7.69 4.62 0.00 2.25 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.91 0.00 0.00 0.00 0.00 0.00 2.34 2.43 0.00 61 K 8.28 4.07 0.00 1.88 1.87 0.00 1.60 0.00 0.00 1.54 0.00 0.00 2.73 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.38 1.36 7.81 62 K 8.55 3.84 0.00 1.67 1.55 0.00 1.75 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.10 0.92 7.81 63 V 8.38 4.52 1.99 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 0.67 0.00 0.00 0.83 0.00 0.00 64 T 8.21 4.31 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 1.18 0.00 0.00 65 C 9.04 4.74 0.00 3.10 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 66 K 8.68 3.75 0.00 1.78 1.89 0.00 1.70 0.00 0.00 1.92 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.48 1.39 7.81 67 N 8.08 4.61 0.00 2.81 2.89 0.00 0.00 6.29 7.00 0.00 0.00 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 8.11 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 0.00 0.00 0.00 69 Q 8.38 4.17 0.00 2.26 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.81 0.00 0.00 0.00 0.00 0.00 2.36 2.43 0.00 70 T 8.31 4.64 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 1.16 0.00 0.00 71 N 7.98 5.02 0.00 2.87 3.10 0.00 0.00 6.02 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 72 C 7.60 5.50 0.00 3.09 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 73 Y 9.11 5.00 0.00 2.90 2.98 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 74 Q 9.00 5.29 0.00 2.03 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.99 0.00 0.00 0.00 0.00 0.00 2.25 2.26 0.00 75 S 8.74 4.79 0.00 3.96 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 76 K 9.41 4.10 0.00 1.90 2.01 0.00 1.60 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.61 1.44 7.81 77 S 7.73 4.73 0.00 3.87 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 78 T 7.91 4.34 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 1.05 0.00 0.00 79 M 8.96 5.05 0.00 1.91 1.97 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.51 0.00 80 R 9.24 4.74 0.00 1.81 1.89 0.00 3.05 0.00 0.00 3.21 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 81 I 8.81 5.11 1.92 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.97 1.04 0.00 0.00 82 T 8.85 5.07 4.50 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 83 D 9.30 4.91 0.00 2.69 2.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 C 8.86 5.56 0.00 2.99 2.83 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 85 R 8.94 5.27 0.00 2.13 1.79 0.00 3.16 0.00 0.00 3.21 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.64 0.00 86 E 9.21 4.15 0.00 1.92 1.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 2.11 0.00 87 T 8.58 4.18 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 1.20 0.00 0.00 88 G 8.70 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 89 S 7.81 4.44 0.00 3.96 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 90 S 7.57 3.99 0.00 3.87 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 91 K 8.89 4.42 0.00 1.77 1.58 0.00 1.72 0.00 0.00 1.57 0.00 0.00 2.85 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.36 1.38 7.81 92 Y 8.82 4.17 0.00 2.99 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 93 P 0.00 3.08 0.00 1.77 1.20 0.00 3.62 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.74 0.00 94 N 8.11 4.69 0.00 2.83 2.74 0.00 0.00 7.03 7.55 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 95 C 7.76 4.64 0.00 3.07 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 96 A 8.58 5.00 1.09 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 0.00 0.00 97 Y 9.11 5.14 0.00 2.96 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 98 K 9.57 4.61 0.00 1.84 1.72 0.00 1.64 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.41 1.44 7.81 99 T 8.55 5.12 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 1.31 0.00 0.00 100 T 9.02 4.61 4.28 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 1.23 0.00 0.00 101 Q 8.78 4.97 0.00 1.90 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.87 6.80 0.00 0.00 0.00 0.00 0.00 2.21 2.34 0.00 102 V 8.74 4.59 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 0.85 0.00 0.00 0.96 0.00 0.00 103 E 8.73 5.08 0.00 1.80 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 2.30 0.00 104 K 8.69 4.73 0.00 1.74 1.88 0.00 1.70 0.00 0.00 1.70 0.00 0.00 2.89 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.44 7.81 105 H 9.73 4.89 0.00 3.18 3.22 0.00 5.58 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 I 8.44 4.82 1.84 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.84 1.16 0.00 0.00 107 I 8.32 4.88 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.15 0.67 0.86 0.00 0.00 108 V 8.58 4.68 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 0.60 0.00 0.00 0.95 0.00 0.00 109 A 8.75 5.09 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 0.00 110 C 9.24 5.41 0.00 2.85 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 0.00 111 G 8.97 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 0.00 0.00 0.00 112 G 9.67 4.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 K 8.02 4.46 0.00 1.66 1.65 0.00 1.78 0.00 0.00 1.75 0.00 0.00 2.84 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.31 1.41 7.81 114 P 0.00 4.36 0.00 2.19 2.02 0.00 3.81 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 1.97 1.94 0.00 115 S 8.43 4.47 0.00 3.83 3.70 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 0.00 116 V 8.46 4.62 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 0.74 0.00 0.00 0.98 0.00 0.00 117 P 0.00 4.89 0.00 1.96 2.01 0.00 3.62 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.11 0.00 118 V 8.93 4.52 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 0.71 0.00 0.00 1.05 0.00 0.00 119 H 7.95 4.77 0.00 3.24 3.10 0.00 5.85 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 F 8.68 4.47 0.00 3.03 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 0.00 121 D 8.10 4.52 0.00 2.55 2.53 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 0.00 122 A 6.45 4.64 1.19 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 0.00 0.00 123 S 8.76 5.20 0.00 4.01 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 0.00 124 V 8.79 4.14 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 0.74 0.00 0.00 0.93 0.00 0.00