NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4460 8.3044 118.1952 55.1100 32.5526 174.2888 1 V 4.2392 7.9248 118.7186 60.5998 34.2730 173.6209 2 L 4.2374 8.3751 127.8014 54.0868 43.3766 177.0784 3 S 4.4982 8.7452 118.2127 57.7466 65.2103 175.1661 4 E 4.2682 8.8091 122.2584 59.5125 29.4570 178.9969 5 G 3.6014 8.0811 105.3622 47.5325 0.0000 175.4704 6 E 3.8808 7.8939 120.9601 59.1864 29.4237 179.3967 7 W 4.3812 7.9491 118.8907 59.9635 29.0795 178.5558 8 Q 4.1212 8.5640 118.1780 59.0278 28.1571 178.9343 9 L 4.0694 7.9315 119.6651 57.6564 41.5885 179.7212 10 V 3.7029 7.8143 117.9674 66.2976 31.6122 178.2566 11 L 4.2238 8.5329 118.8156 57.6020 40.9942 179.0729 12 H 4.2176 8.5796 119.0250 59.3190 29.8684 177.7474 13 V 3.5067 7.8740 120.5887 64.4140 31.3078 178.0792 14 W 4.0050 8.6816 129.0076 60.1894 30.2604 177.7653 15 A 3.9987 7.9492 120.1180 54.8484 18.0383 179.5875 16 K 3.9449 7.4216 116.9036 59.5316 32.1113 179.4619 17 V 2.8675 7.1506 118.4653 65.9913 31.0129 177.6995 18 E 3.8390 7.5842 115.5791 58.1125 29.3112 178.5422 19 A 4.1763 7.4674 120.4128 53.7789 19.8663 177.6147 20 D 4.6643 7.8544 116.6046 52.1724 42.7194 175.5757 21 V 3.4434 7.8170 123.2359 65.7692 32.1146 176.8178 22 A 4.0447 7.9540 120.1825 55.0810 18.3053 179.7262 23 G 3.6937 8.2042 105.6658 47.6750 0.0000 175.7943 24 H 4.2022 8.2915 118.7980 58.3628 28.6976 177.9827 25 G 3.6277 8.2558 107.8397 47.8407 0.0000 175.3989 26 Q 3.8383 7.9898 122.0988 58.9830 29.0535 178.0237 27 D 4.3064 7.9379 119.8143 57.4604 40.7506 179.0629 28 I 3.6504 7.8051 120.1666 64.4046 37.1500 178.5777 29 L 3.4624 7.7018 119.8140 57.5032 41.2558 179.7021 30 I 3.6342 7.6120 119.8653 64.1615 36.9882 178.3312 31 R 3.7746 8.0111 119.7322 59.2638 29.8430 178.3074 32 L 3.9077 7.8813 120.1947 58.3461 42.0191 179.0827 33 F 4.6685 7.8966 117.6206 60.2904 38.5292 178.0435 34 K 4.0028 8.1067 117.8312 59.6072 32.0263 179.3383 35 S 4.2891 7.9909 114.2798 60.3917 64.1660 174.5000 36 H 4.7324 8.4424 118.8163 52.1390 29.2457 171.9646 37 P 4.7629 0.0000 0.0000 64.4064 31.5835 177.5501 38 E 4.0861 8.2125 116.7190 59.5349 29.4466 179.1061 39 T 3.8169 8.0719 110.8033 64.4749 68.6985 176.1257 40 L 3.6584 7.8856 122.9463 57.9950 41.7376 178.7118 41 E 4.0567 7.9658 117.2494 59.1204 29.4467 178.8446 42 K 4.4593 8.1110 116.7667 56.7737 32.7386 176.8911 43 F 4.5692 8.1563 119.2316 55.4363 38.7465 175.9408 44 D 4.4109 8.5790 126.7276 57.1207 40.9405 178.6317 45 R 3.7978 7.7969 118.2930 58.2520 30.2482 176.6788 46 F 5.0514 7.4731 113.2311 56.4811 40.8534 176.4546 47 K 3.8030 8.1594 122.4684 59.7719 31.9329 177.2388 48 H 4.4406 8.1825 112.5335 57.4189 29.0458 175.7088 49 L 4.1080 7.6082 121.2243 54.9080 41.6928 176.8658 50 K 4.4056 9.2004 123.0788 57.0231 33.9155 176.9151 51 T 4.7437 7.3172 107.6044 58.8449 73.2516 174.2193 52 E 3.9056 8.6913 121.3350 59.2296 29.3816 178.7404 53 A 3.9527 7.8861 119.7565 55.2639 18.6807 178.9645 54 E 4.0571 8.0782 116.6830 59.6948 29.3634 179.4864 55 M 4.0171 8.1486 118.7225 58.4843 31.8617 179.0466 56 K 3.9494 8.5510 117.2104 58.9458 32.2473 178.5161 57 A 4.4614 7.4050 119.3617 52.0358 19.0686 177.1418 58 S 4.2471 7.4936 113.4932 57.6585 62.4968 174.4352 59 E 4.0538 8.7865 129.3628 58.8833 29.4339 177.9580 60 D 4.4168 8.1130 118.1296 57.2517 41.4642 177.6931 61 L 3.3635 8.0948 120.9563 57.8479 42.1052 178.9076 62 K 3.9368 7.7907 119.3842 59.2519 32.1125 178.9608 63 K 4.0012 8.2813 118.9880 59.8270 31.9199 178.8155 64 H 4.4093 8.5010 118.6754 59.0682 29.8047 177.3819 65 G 3.6217 8.1996 107.7230 47.8065 0.0000 175.7809 66 V 3.5985 7.6664 120.0279 66.0273 31.7218 178.0959 67 T 3.8745 7.8306 115.4623 66.7122 68.3092 176.6654 68 V 3.6213 7.9520 120.0832 66.2041 31.5891 178.1374 69 L 4.2882 8.1281 118.5942 57.8324 41.5960 179.5503 70 T 3.9710 8.3154 115.9781 66.5661 68.3436 176.5087 71 A 4.0195 7.9659 122.2856 55.0448 18.3830 179.4871 72 L 3.7308 8.0314 119.0792 58.1352 42.1478 179.3487 73 G 3.4604 8.6620 105.9261 47.7564 0.0000 175.5219 74 A 4.0410 7.7267 121.7821 54.7243 18.6468 179.6881 75 I 3.7694 7.4514 118.0736 64.6434 37.2730 178.5923 76 L 3.9450 7.8818 120.1435 57.6740 41.1675 179.4463 77 K 4.0560 7.6180 116.4894 58.0492 32.3356 178.7989 78 K 3.9429 7.9269 118.7811 56.3430 32.4671 176.6530 79 K 2.0000 8.1941 118.2373 56.4622 29.8517 175.5894 80 G 3.9820 7.9486 105.9991 45.7736 0.0000 173.9736 81 H 4.7958 7.3555 119.2108 55.3684 27.5326 174.8998 82 H 5.0897 7.4297 109.5061 54.0110 29.7526 176.1455 83 E 3.9676 8.5688 120.3210 60.2873 29.3150 178.8827 84 A 4.1659 7.9606 119.7352 55.2531 18.0840 179.3896 85 E 3.9517 8.1699 116.6383 59.3164 29.5973 179.0359 86 L 4.1459 8.1780 120.2843 57.3912 42.0802 179.1991 87 K 4.0169 7.7866 119.0976 58.9769 32.0977 177.5220 88 P 4.4336 0.0000 0.0000 65.7608 31.2265 178.6675 89 G 3.6956 8.1654 104.9646 47.3366 0.0000 175.4327 90 A 4.1667 8.1889 123.1377 55.1577 18.3914 179.5461 91 Q 3.8906 8.1785 118.3315 59.3432 29.0750 178.5977 92 S 4.0040 8.2299 115.3605 61.7539 63.0434 176.1489 93 H 4.1233 8.7109 119.6068 57.9514 28.2147 177.6754 94 A 2.6571 7.7787 122.1687 54.2908 18.4980 178.6369 95 T 4.0477 7.5242 108.6541 62.1431 68.7350 175.3697 96 K 4.0224 7.5545 120.7402 58.9559 32.7075 177.2361 97 H 4.3212 7.9517 114.5409 55.9360 29.4960 175.3921 98 K 3.2633 7.5196 117.5919 56.9091 28.3950 174.6269 99 I 4.3613 8.0349 119.0561 58.4882 38.7273 174.8184 100 P 4.6900 0.0000 0.0000 62.3213 32.1347 177.4856 101 I 3.6531 8.1975 121.1403 64.4149 36.9698 178.4618 102 K 3.5813 8.0234 120.0292 60.0332 31.8340 178.1119 103 Y 4.1866 7.8909 116.4280 60.6889 37.8604 178.0792 104 L 4.2144 7.8797 119.7740 57.5392 41.7463 179.0666 105 E 4.0263 8.0800 118.8908 59.3677 29.4924 179.2772 106 F 4.5066 7.7888 117.6544 60.7979 39.0201 177.5713 107 I 3.9448 8.1947 117.9021 63.6322 37.7342 178.0764 108 S 4.2135 8.1394 116.3906 61.6136 62.6625 176.0964 109 E 4.0147 8.3767 121.7595 59.3325 29.4014 178.7631 110 A 4.0384 7.9705 120.3747 55.0999 18.4259 179.7565 111 I 3.7039 7.9669 118.4174 64.6415 37.2133 178.7571 112 I 3.8624 7.9026 120.7537 64.4725 36.9331 177.9036 113 H 4.1255 8.4650 119.2105 59.4212 29.6936 177.5682 114 V 3.5765 7.7872 119.9059 65.9495 31.3286 177.9942 115 L 3.8058 7.8394 118.7985 57.8365 41.0440 178.9930 116 H 4.3580 7.9700 117.4530 59.4061 29.9047 177.2879 117 S 4.1699 7.8744 116.0530 61.3478 62.7611 176.2192 118 R 4.1696 7.8796 118.9925 57.0128 31.3910 176.3642 119 H 5.0250 8.1807 115.6972 54.0337 29.5315 173.1861 120 P 4.3286 0.0000 0.0000 65.7842 31.7149 179.1978 121 G 3.6678 8.1203 106.5547 47.3819 0.0000 173.6278 122 N 4.9643 8.1891 115.0849 53.0406 39.7995 174.5515 123 F 4.9166 7.7983 119.3635 56.3524 39.4595 174.0043 124 G 3.9237 7.5733 109.6944 43.6559 0.0000 171.7060 125 A 3.8933 8.4238 120.6871 55.4920 18.2440 179.6741 126 D 4.1771 7.9563 116.4523 57.4585 40.9947 178.7581 127 A 3.9335 7.7577 120.8098 54.9942 18.3183 179.3258 128 Q 3.1341 7.7346 118.3863 58.8632 29.0604 178.6049 129 G 3.5059 8.1201 106.7444 47.7360 0.0000 175.5518 130 A 3.8716 7.9954 123.2249 54.9942 18.2936 179.4267 131 M 4.0094 8.1417 116.8041 58.6694 32.2593 177.9492 132 N 4.2930 8.4636 117.6001 56.6284 39.0724 176.7669 133 K 3.8391 8.1084 120.7822 59.3720 32.2106 178.6487 134 A 3.8095 7.9036 121.1230 55.1033 18.2392 179.6315 135 L 4.1508 8.2889 117.6879 57.6995 41.6832 179.5379 136 E 3.9929 8.4345 119.1435 58.9919 29.3778 178.9152 137 L 3.9531 8.2236 120.7538 58.1456 42.1872 178.6567 138 F 4.1810 8.2476 120.4579 61.6387 39.2952 177.2811 139 R 3.5471 8.2203 117.5652 58.9280 29.8233 179.0409 140 K 3.8709 8.1387 119.4396 59.6412 32.3090 178.7211 141 D 4.3526 8.1091 119.1699 57.3477 40.6239 178.8717 142 I 3.4935 7.6254 120.2687 63.9563 37.0505 178.2030 143 A 3.7042 8.1188 121.9204 55.1213 18.2996 179.6032 144 A 3.9852 8.0370 119.1781 55.0907 18.3225 180.0986 145 K 4.0086 8.0201 117.0595 59.6954 32.1441 178.9844 146 Y 4.3816 8.3074 117.3306 61.1708 37.6996 178.8041 147 K 3.9737 8.1760 120.0988 59.7371 32.1225 178.7087 148 E 4.0046 7.9223 117.1469 59.2652 29.4672 178.8019 149 L 4.2841 8.1029 117.3799 55.5366 41.9309 177.8849 150 G 4.0182 7.8699 107.2329 45.4316 0.0000 173.2551 151 Y 4.3342 7.9392 119.3404 59.2221 39.7673 177.5220 152 Q 3.3110 7.9385 117.8405 56.7333 27.9235 173.8590 153 G 2.4575 6.6554 110.3767 44.9779 0.0000 174.2430 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 0 M 8.30 4.45 0.00 2.13 2.12 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.54 0.00 1 V 7.92 4.24 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 0.89 0.00 0.00 0.95 0.00 0.00 2 L 8.38 4.24 0.00 1.03 0.65 0.60 -0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.75 4.50 0.00 4.05 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 8.81 4.27 0.00 2.19 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 0.00 2.43 2.60 0.00 5 G 8.08 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.89 3.88 0.00 1.91 1.68 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 2.20 2.26 0.00 7 W 7.95 4.38 0.00 3.59 3.19 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 8 Q 8.56 4.12 0.00 2.33 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.81 0.00 0.00 0.00 0.00 0.00 2.45 2.61 0.00 9 L 7.93 4.07 0.00 1.89 1.74 0.89 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.81 3.70 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 1.24 0.00 0.00 0.92 0.00 0.00 11 L 8.53 4.22 0.00 1.84 1.82 0.94 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.58 4.22 0.00 3.41 3.56 0.00 5.78 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.87 3.51 2.28 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 1.05 0.00 0.00 0.84 0.00 0.00 14 W 8.68 4.00 0.00 3.60 3.29 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 0.00 15 A 7.95 4.00 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 16 K 7.42 3.94 0.00 1.41 1.72 0.00 1.66 0.00 0.00 1.49 0.00 0.00 2.73 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.49 1.47 7.81 17 V 7.15 2.87 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 -0.12 0.00 0.00 0.45 0.00 0.00 18 E 7.58 3.84 0.00 1.99 1.90 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 2.16 2.05 0.00 19 A 7.47 4.18 1.29 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 0.00 0.00 0.00 20 D 7.85 4.66 0.00 2.69 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 0.00 0.00 0.00 0.00 21 V 7.82 3.44 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 1.04 0.00 0.00 0.82 0.00 0.00 22 A 7.95 4.04 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 23 G 8.20 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 H 8.29 4.20 0.00 3.10 3.22 0.00 5.83 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 8.26 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 26 Q 7.99 3.84 0.00 2.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.73 0.00 0.00 0.00 0.00 0.00 2.28 2.32 0.00 27 D 7.94 4.31 0.00 2.90 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 7.81 3.65 1.88 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 0.67 0.88 0.00 0.00 29 L 7.70 3.46 0.00 1.38 1.01 0.77 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.61 3.63 1.87 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 1.38 0.54 0.87 0.00 0.00 31 R 8.01 3.77 0.00 1.92 2.08 0.00 3.01 0.00 0.00 2.85 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.61 0.00 32 L 7.88 3.91 0.00 1.69 1.49 1.07 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 33 F 7.90 4.67 0.00 3.01 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 34 K 8.11 4.00 0.00 1.76 1.83 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.65 7.81 35 S 7.99 4.29 0.00 3.80 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 36 H 8.44 4.73 0.00 2.86 2.74 0.00 5.62 0.00 0.00 0.00 0.00 6.86 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 4.76 0.00 2.15 2.10 0.00 3.83 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.11 0.00 38 E 8.21 4.09 0.00 2.29 2.28 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 2.26 2.49 0.00 39 T 8.07 3.82 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 0.88 0.00 0.00 40 L 7.89 3.66 0.00 1.40 1.73 -0.10 1.19 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 41 E 7.97 4.06 0.00 2.40 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 2.39 2.40 0.00 42 K 8.11 4.46 0.00 1.90 1.71 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.74 1.92 7.81 43 F 8.16 4.57 0.00 3.17 2.93 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 44 D 8.58 4.41 0.00 2.59 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 7.80 3.80 0.00 1.25 0.66 0.00 3.04 0.00 0.00 2.91 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.41 0.00 46 F 7.47 5.05 0.00 2.93 2.73 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 47 K 8.16 3.80 0.00 1.84 1.91 0.00 1.82 0.00 0.00 1.89 0.00 0.00 3.01 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.48 1.61 7.81 48 H 8.18 4.44 0.00 3.32 3.41 0.00 5.59 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 49 L 7.61 4.11 0.00 1.59 1.58 0.86 0.59 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 50 K 9.20 4.41 0.00 1.78 1.83 0.00 1.65 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.51 7.81 51 T 7.32 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 1.20 0.00 0.00 52 E 8.69 3.91 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 7.89 3.95 1.29 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 0.00 0.00 0.00 54 E 8.08 4.06 0.00 2.20 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 0.00 2.33 2.34 0.00 55 M 8.15 4.02 0.00 2.05 2.24 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.56 0.00 56 K 8.55 3.95 0.00 1.78 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 2.99 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.67 7.81 57 A 7.40 4.46 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 58 S 7.49 4.25 0.00 3.84 3.87 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 59 E 8.79 4.05 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 2.39 2.44 0.00 60 D 8.11 4.42 0.00 2.98 2.97 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 61 L 8.09 3.36 0.00 1.30 1.60 0.79 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.79 3.94 0.00 1.79 1.93 0.00 1.69 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.42 1.45 7.81 63 K 8.28 4.00 0.00 1.95 1.91 0.00 1.76 0.00 0.00 1.62 0.00 0.00 2.96 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 64 H 8.50 4.41 0.00 3.58 3.55 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 8.20 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 66 V 7.67 3.60 2.28 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 1.12 0.00 0.00 0.96 0.00 0.00 67 T 7.83 3.87 4.44 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 1.27 0.00 0.00 68 V 7.95 3.62 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 1.10 0.00 0.00 0.99 0.00 0.00 69 L 8.13 4.29 0.00 1.79 1.81 0.87 0.76 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 70 T 8.32 3.97 4.31 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 1.26 0.00 0.00 71 A 7.97 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 72 L 8.03 3.73 0.00 1.66 1.66 0.24 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.66 3.46 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 0.00 74 A 7.73 4.04 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 7.45 3.77 1.79 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 1.53 0.90 0.87 0.00 0.00 76 L 7.88 3.94 0.00 1.12 1.49 -0.18 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.62 4.06 0.00 1.66 1.79 0.00 1.79 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.25 0.00 0.00 0.00 0.00 1.46 1.49 7.81 78 K 7.93 3.94 0.00 1.87 1.81 0.00 1.75 0.00 0.00 1.75 0.00 0.00 2.94 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.64 1.67 7.81 79 K 8.19 2.00 0.00 1.30 0.74 0.00 1.46 0.00 0.00 1.46 0.00 0.00 2.76 0.00 0.00 2.95 0.00 0.00 0.00 0.00 0.31 0.90 7.81 80 G 7.95 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 0.00 0.00 0.00 81 H 7.36 4.80 0.00 3.19 3.24 0.00 5.79 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 7.43 5.09 0.00 3.35 3.46 0.00 5.60 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.57 3.97 0.00 1.95 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 2.34 2.50 0.00 84 A 7.96 4.17 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 85 E 8.17 3.95 0.00 2.27 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 2.41 2.44 0.00 86 L 8.18 4.15 0.00 2.00 1.68 1.06 0.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.79 4.02 0.00 2.02 1.86 0.00 1.74 0.00 0.00 1.83 0.00 0.00 2.99 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.47 7.81 88 P 0.00 4.43 0.00 2.30 2.33 0.00 3.84 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.06 0.00 89 G 8.17 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 0.00 0.00 0.00 90 A 8.19 4.17 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 91 Q 8.18 3.89 0.00 2.16 2.26 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 2.31 2.33 0.00 92 S 8.23 4.00 0.00 4.00 4.10 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 0.00 0.00 0.00 93 H 8.71 4.12 0.00 3.57 3.60 0.00 5.80 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 7.78 2.66 0.77 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 0.00 0.00 95 T 7.52 4.05 4.10 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 0.00 0.00 1.11 0.00 0.00 96 K 7.55 4.02 0.00 1.56 1.70 0.00 1.61 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.23 1.20 7.81 97 H 7.95 4.32 0.00 3.01 3.14 0.00 5.86 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 7.52 3.26 0.00 1.78 1.79 0.00 1.51 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.29 1.31 7.81 99 I 8.03 4.36 2.08 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 1.52 0.99 1.13 0.00 0.00 100 P 0.00 4.69 0.00 1.94 2.00 0.00 3.22 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 1.45 0.00 101 I 8.20 3.65 1.82 0.00 0.00 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 1.40 0.82 0.82 0.00 0.00 102 K 8.02 3.58 0.00 1.72 1.65 0.00 1.59 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.47 1.02 7.81 103 Y 7.89 4.19 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 0.00 104 L 7.88 4.21 0.00 1.82 1.76 0.70 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 105 E 8.08 4.03 0.00 2.06 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 2.32 2.42 0.00 106 F 7.79 4.51 0.00 3.19 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 0.00 107 I 8.19 3.94 2.02 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 1.59 1.39 1.08 0.00 0.00 108 S 8.14 4.21 0.00 4.26 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 0.00 109 E 8.38 4.01 0.00 2.18 2.31 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 2.38 2.42 0.00 110 A 7.97 4.04 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 0.00 111 I 7.97 3.70 2.10 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.07 1.02 0.00 0.00 112 I 7.90 3.86 2.00 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.93 1.13 0.00 0.00 113 H 8.47 4.13 0.00 3.34 3.50 0.00 5.78 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.79 3.58 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 0.92 0.00 0.00 0.99 0.00 0.00 115 L 7.84 3.81 0.00 1.15 0.25 0.86 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.97 4.36 0.00 3.46 3.60 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.87 4.17 0.00 3.91 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 0.00 118 R 7.88 4.17 0.00 1.68 1.63 0.00 3.11 0.00 0.00 3.01 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.60 0.00 119 H 8.18 5.03 0.00 3.20 3.20 0.00 5.62 0.00 0.00 0.00 0.00 6.75 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 4.33 0.00 2.21 2.25 0.00 3.76 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 2.06 1.93 0.00 121 G 8.12 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 0.00 122 N 8.19 4.96 0.00 2.81 2.94 0.00 0.00 6.67 7.61 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 0.00 123 F 7.80 4.92 0.00 2.94 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 0.00 124 G 7.57 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 0.00 0.00 0.00 125 A 8.42 3.89 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 0.00 126 D 7.96 4.18 0.00 2.65 2.67 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 0.00 127 A 7.76 3.93 1.30 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 0.00 0.00 0.00 0.00 0.00 0.00 128 Q 7.73 3.13 0.00 1.26 1.77 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 2.23 2.26 0.00 129 G 8.12 3.51 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 0.00 0.00 0.00 0.00 130 A 8.00 3.87 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 0.00 131 M 8.14 4.01 0.00 2.40 2.37 0.00 0.00 0.00 0.00 0.00 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.90 0.00 132 N 8.46 4.29 0.00 2.91 2.91 0.00 0.00 6.85 7.72 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 0.00 133 K 8.11 3.84 0.00 1.95 1.73 0.00 1.60 0.00 0.00 1.51 0.00 0.00 2.92 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.30 1.38 7.81 134 A 7.90 3.81 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 0.00 135 L 8.29 4.15 0.00 1.75 1.82 0.99 1.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.43 3.99 0.00 2.20 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 0.00 2.34 2.48 0.00 137 L 8.22 3.95 0.00 1.86 1.98 1.03 1.41 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 0.00 138 F 8.25 4.18 0.00 3.11 3.22 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 0.00 139 R 8.22 3.55 0.00 1.85 1.85 0.00 3.15 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.97 0.00 140 K 8.14 3.87 0.00 1.79 2.02 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.45 7.81 141 D 8.11 4.35 0.00 2.80 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 7.63 3.49 1.23 0.00 0.00 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 -0.16 0.14 0.00 0.00 143 A 8.12 3.70 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 0.00 144 A 8.04 3.99 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 0.00 145 K 8.02 4.01 0.00 2.04 1.95 0.00 1.70 0.00 0.00 1.65 0.00 0.00 3.10 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.55 7.81 146 Y 8.31 4.38 0.00 3.17 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 0.00 147 K 8.18 3.97 0.00 2.18 2.03 0.00 1.64 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.45 1.49 7.81 148 E 7.92 4.00 0.00 2.21 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 2.36 2.57 0.00 149 L 8.10 4.28 0.00 1.78 1.71 0.97 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 150 G 7.87 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 0.00 151 Y 7.94 4.33 0.00 2.63 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 0.00 152 Q 7.94 3.31 0.00 2.10 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 153 G 6.66 2.46 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 0.00