NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.5508 8.1927 115.2993 58.4235 64.5202 175.6657 3 V 3.3892 7.6740 119.3609 65.5839 31.0748 176.1871 4 Y 3.8806 8.7314 116.6286 61.1029 38.4962 177.3736 5 D 4.5087 8.1760 119.1587 57.3013 41.0129 178.5278 6 A 3.9688 8.0216 121.0292 55.0313 18.4145 179.5401 7 A 3.9063 8.2720 118.9836 54.8133 18.1316 179.5753 8 A 4.0353 7.5193 118.1774 54.9453 18.4809 179.2576 9 Q 4.2327 7.7726 115.3370 57.0814 29.8501 177.2203 10 L 4.2063 7.3514 121.2562 53.8208 40.1002 177.1209 11 T 4.2145 7.6838 114.4952 60.5023 71.6039 175.1204 12 A 3.9379 8.4292 122.4004 55.6003 18.2822 179.6085 13 D 4.2988 7.9560 116.8330 57.2173 40.9754 179.0312 14 V 3.4746 7.4220 119.0173 65.9776 31.6044 178.3094 15 K 3.8563 8.2519 118.5606 59.1797 31.8158 179.3161 16 K 3.9828 7.9670 119.9240 59.6396 32.1496 178.7437 17 D 4.6000 8.0756 119.1092 57.0788 40.6378 178.8147 18 L 3.7398 7.9417 119.7018 57.7647 41.6044 179.7259 19 R 4.0353 8.0361 117.9219 59.4046 30.0970 178.8777 20 D 4.4711 8.3298 118.9274 57.5064 40.8682 179.0922 21 S 2.9816 8.2672 114.7934 60.7012 63.0373 176.3105 22 W 4.3260 8.6399 132.1046 60.0691 30.2082 177.6652 23 K 3.9323 7.9503 119.0685 58.9681 31.7379 178.1611 24 V 3.9077 6.9889 115.4040 65.0199 32.1925 177.8749 25 I 3.4311 7.5289 119.4939 64.2794 37.0015 178.1310 26 G 2.2185 7.0175 106.4750 45.5627 0.0000 174.4518 27 S 4.1267 7.2851 114.4892 59.7718 63.4138 174.2714 28 D 4.6358 7.1922 119.5933 51.1282 41.0967 175.4731 29 K 3.8374 8.0620 123.2875 58.5779 32.4834 178.3363 30 K 4.0017 7.9737 119.5012 59.3892 32.4064 178.8650 31 G 3.6201 8.2332 107.2222 47.5797 0.0000 175.4440 32 N 4.4793 8.3438 119.8000 55.2079 38.5074 178.0148 33 G 3.5249 8.1730 107.5997 47.7868 0.0000 176.0308 34 V 3.5410 7.7218 120.7059 65.4978 31.5342 177.9001 35 A 4.0042 7.8581 120.3232 54.9863 18.1612 179.6749 36 L 3.7576 7.8905 117.3754 58.2255 41.7656 179.6624 37 M 3.5150 7.7227 118.7666 58.4131 31.8742 179.0531 38 T 3.8906 8.1378 110.2343 64.9550 68.7818 176.8181 39 T 3.8790 7.7355 118.7607 66.0734 68.3517 176.4669 40 L 3.8617 7.6945 122.3081 58.3087 41.9349 179.1795 41 F 4.5531 7.8034 117.4168 60.5220 38.5692 177.6400 42 A 4.0654 8.0377 119.7383 55.2255 18.3230 178.9997 43 D 4.6621 8.3073 116.1411 55.4899 42.6251 176.8810 44 N 5.0799 8.4305 116.9787 49.8774 39.1488 174.4830 45 Q 4.3365 8.6774 120.9676 58.5654 28.9521 178.6636 46 E 4.0960 8.3261 118.9852 59.3082 29.5059 178.9147 47 T 4.4013 8.3955 110.5763 64.3890 68.7891 176.4988 48 I 3.7812 7.9334 122.8804 64.1354 36.8142 178.0178 49 G 3.4724 7.6185 105.7732 47.6272 0.0000 174.5386 50 Y 4.3347 7.6548 116.7241 58.6193 38.5129 175.8418 51 F 4.9838 8.1650 120.1936 56.4865 40.1725 177.7727 52 K 3.8748 8.3678 123.9963 59.5713 32.2124 178.3834 53 R 3.9813 8.0318 117.5157 59.1135 30.0255 177.1368 54 L 4.2221 7.8825 116.5040 55.2701 42.7992 179.1484 55 G 3.8871 7.8434 106.7607 46.2926 0.0000 177.0229 56 D 4.6046 8.3353 115.4458 53.5212 38.9970 176.9776 57 V 3.8764 7.7672 115.8342 62.5589 32.0142 178.1890 58 S 4.3092 7.9769 114.2452 60.3077 62.9799 175.4352 59 Q 4.1357 8.3629 120.3994 56.3732 29.9600 177.2764 60 G 3.9035 7.5939 107.4964 46.2265 0.0000 175.9883 61 M 3.8879 9.0903 121.5959 58.4882 31.8921 177.2508 62 A 4.0065 7.5501 119.6427 54.1596 18.8612 177.2971 63 N 4.5618 8.1977 115.3054 52.9538 39.3940 174.9882 64 D 4.4088 8.7430 129.0835 57.5996 41.0011 179.0420 65 K 4.0455 8.1043 118.3103 59.3728 32.0914 179.0599 66 L 4.0184 8.6670 121.0500 58.0336 42.0344 179.0084 67 R 3.9838 8.5548 119.3336 59.3420 30.1653 178.6764 68 G 3.6791 8.5661 106.0124 48.1133 0.0000 175.1046 69 H 4.2249 8.4890 120.8382 59.1335 29.7910 177.5829 70 S 4.1186 8.3595 117.0744 61.6047 62.4220 176.7641 71 I 3.7936 7.6550 121.4581 64.8114 37.1556 178.3438 72 T 4.1891 7.9120 116.1230 66.5155 68.3521 176.4418 73 L 4.0478 8.0413 122.3745 58.5090 42.0849 179.0238 74 M 4.2646 7.9613 118.6208 58.2712 31.8539 177.9425 75 Y 4.0329 7.9152 115.7748 59.8089 38.1072 177.7546 76 A 3.7159 7.7160 122.2148 54.9199 18.4026 179.6527 77 L 3.4359 7.4026 117.0199 57.5078 41.6823 179.1989 78 Q 3.4354 7.8094 119.5881 58.9251 28.7416 177.8755 79 N 4.2168 7.5895 116.7532 56.7713 39.3526 176.3527 80 F 4.5059 7.5228 118.9227 60.8603 38.8923 177.7184 81 I 3.5010 7.6552 119.4565 64.5273 36.6102 178.2938 82 D 4.4059 8.0367 118.3361 56.5305 40.9402 177.7146 83 Q 4.4133 7.5991 116.6198 55.7790 28.7797 177.2047 84 L 3.9250 7.3804 121.8474 57.8442 41.7479 177.8632 85 D 4.4748 7.8966 115.5242 55.2146 41.3598 176.4021 86 N 4.8000 7.9799 117.6266 50.1038 40.2431 171.9461 87 P 4.1555 0.0000 0.0000 65.7723 31.5566 177.8521 88 D 4.4643 8.1210 117.3654 57.5628 40.7403 178.6344 89 D 4.3647 8.1889 118.9243 56.9502 40.8933 178.2515 90 L 3.8221 7.9896 121.0289 58.1590 41.9983 179.2023 91 V 3.2831 7.7219 118.4554 66.0914 31.4029 177.7996 92 C 4.1109 7.8221 113.6923 61.1755 29.4334 176.0693 93 V 3.6781 7.8021 120.9394 65.7013 31.1374 178.2079 94 V 3.5337 7.9186 118.2295 66.0474 31.1866 177.9123 95 E 3.9596 8.3954 118.5561 59.0310 29.0262 179.1192 96 K 3.9126 7.8361 118.8318 59.7010 32.7629 178.2656 97 F 4.3152 8.5672 120.5642 61.3048 39.2188 176.9013 98 A 3.9497 8.3341 120.5683 54.8154 18.0578 179.5417 99 V 3.4887 7.5349 116.8993 66.5322 31.0718 178.0757 100 N 4.2420 7.6452 114.8965 56.5312 38.2919 176.9380 101 H 3.9268 7.8751 116.7592 58.0450 28.9275 177.7535 102 I 3.6969 7.9089 122.4042 64.6833 36.7469 178.4890 103 T 3.7953 7.8890 115.3270 66.2823 68.3972 175.1234 104 R 4.3992 7.2909 118.3050 55.1700 29.9995 176.1716 105 K 3.7792 7.8716 115.8923 57.3639 30.1638 175.5374 106 I 3.9622 7.6673 120.0145 60.1815 37.4711 177.2117 107 S 4.4795 8.4012 120.7964 57.5292 65.3964 174.8457 108 A 3.9882 8.4808 123.5158 55.2430 17.8563 179.8533 109 A 4.0092 7.9104 118.1610 55.2145 18.8491 179.0229 110 E 4.0903 8.2672 117.8968 59.4468 29.8696 178.7876 111 F 4.1432 8.6930 121.1059 61.1374 39.4787 176.9716 112 G 3.9230 8.4144 104.5531 46.5903 0.0000 175.1591 113 K 4.2380 7.9916 120.6849 58.3477 32.0866 178.3506 114 I 3.7765 7.6232 118.8750 62.9245 37.8844 177.2099 115 N 4.4758 8.1870 117.9869 56.4387 38.3700 177.2155 116 G 3.6183 7.5775 107.3428 47.5216 0.0000 173.8039 117 P 4.2330 0.0000 0.0000 65.1338 31.2421 178.7597 118 I 3.5031 7.7525 118.4578 64.1729 36.9542 178.3457 119 K 3.9234 8.1137 120.4206 59.4957 31.9904 179.0357 120 K 3.9654 8.1152 118.7841 59.3557 32.1264 179.5848 121 V 3.5280 7.9641 118.7710 65.8064 31.3528 178.0455 122 L 4.0523 8.1046 118.7580 57.9217 41.5035 179.4266 123 A 4.0343 8.2685 120.8956 55.0936 18.0279 179.7748 124 S 4.1367 7.9401 112.0313 60.5683 63.0070 175.8814 125 K 4.3872 7.1607 118.9138 55.4125 32.2845 175.6890 126 N 4.1037 7.9842 115.0161 54.3919 36.1099 174.2259 127 F 4.4260 8.1941 118.0719 55.7195 40.0362 177.3752 128 G 4.0409 8.5891 114.3176 44.2413 0.0000 171.9745 129 D 4.5179 8.9163 118.6476 57.4845 40.5373 178.6923 130 K 3.8010 8.2178 119.4701 60.0707 32.0883 178.2538 131 Y 4.1194 8.1228 116.0296 60.8801 37.8259 178.0420 132 A 4.2190 8.1905 121.4102 55.3865 18.4401 179.2863 133 N 4.3662 8.7868 115.2361 56.2958 38.4352 177.5808 134 A 3.9508 7.8061 122.4535 55.0071 18.4368 179.8042 135 W 3.8609 8.6107 117.2723 59.5977 29.1060 178.6950 136 A 4.1220 8.3151 120.9948 54.9939 17.5336 179.8412 137 K 3.9808 7.5853 116.7257 59.2518 32.4676 179.0861 138 L 3.9135 7.5316 120.9916 58.0592 42.0139 179.0800 139 V 3.7510 8.1412 118.1501 66.1004 31.4501 177.8302 140 A 4.5317 8.0141 121.7651 54.5051 17.8940 179.8057 141 V 3.4192 7.2653 116.1928 66.0069 31.8326 178.1829 142 V 3.5111 7.4552 117.5702 65.9800 31.5004 177.8330 143 Q 3.8383 8.1304 117.5865 58.8564 28.2911 178.7202 144 A 4.0288 7.8060 120.4856 54.1881 18.4508 178.4795 145 A 4.3185 7.6462 117.2750 52.4463 19.5125 177.1429 146 L 4.1326 7.3895 121.9937 54.6930 41.8597 176.4569 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 2 S 8.19 4.55 0.00 3.88 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 3 V 7.67 3.39 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 0.90 0.00 0.00 0.86 0.00 0.00 4 Y 8.73 3.88 0.00 2.98 2.96 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 5 D 8.18 4.51 0.00 2.86 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 6 A 8.02 3.97 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 7 A 8.27 3.91 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 8 A 7.52 4.04 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 9 Q 7.77 4.23 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 7.26 0.00 0.00 0.00 0.00 0.00 2.37 2.51 0.00 10 L 7.35 4.21 0.00 1.68 1.52 0.75 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.68 4.21 4.21 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 1.18 0.00 0.00 12 A 8.43 3.94 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 13 D 7.96 4.30 0.00 2.74 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 14 V 7.42 3.47 2.22 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 0.90 0.00 0.00 0.87 0.00 0.00 15 K 8.25 3.86 0.00 1.76 1.77 0.00 1.65 0.00 0.00 1.50 0.00 0.00 2.84 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.35 1.59 7.81 16 K 7.97 3.98 0.00 1.97 1.96 0.00 1.56 0.00 0.00 1.67 0.00 0.00 3.08 0.00 0.00 3.26 0.00 0.00 0.00 0.00 1.46 1.57 7.81 17 D 8.08 4.60 0.00 2.79 2.54 0.00 0.00 0.00 0.00 0.00 0.00 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 L 7.94 3.74 0.00 1.64 1.25 0.52 -0.57 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 19 R 8.04 4.04 0.00 1.91 2.04 0.00 3.14 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.87 0.00 20 D 8.33 4.47 0.00 3.11 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 21 S 8.27 2.98 0.00 3.35 3.31 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 22 W 8.64 4.33 0.00 3.75 3.36 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 23 K 7.95 3.93 0.00 2.00 2.06 0.00 1.88 0.00 0.00 1.66 0.00 0.00 3.01 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.46 1.47 7.81 24 V 6.99 3.91 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 1.06 0.00 0.00 1.11 0.00 0.00 25 I 7.53 3.43 1.60 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.65 0.65 0.00 0.00 26 G 7.02 2.22 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 0.00 27 S 7.29 4.13 0.00 3.89 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 28 D 7.19 4.64 0.00 2.70 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 0.00 0.00 0.00 0.00 29 K 8.06 3.84 0.00 1.77 1.72 0.00 1.12 0.00 0.00 0.89 0.00 0.00 2.13 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.23 1.34 7.81 30 K 7.97 4.00 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.83 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.49 1.51 7.81 31 G 8.23 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 32 N 8.34 4.48 0.00 2.69 2.73 0.00 0.00 7.00 7.15 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 33 G 8.17 3.52 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 0.00 34 V 7.72 3.54 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 0.95 0.00 0.00 0.95 0.00 0.00 35 A 7.86 4.00 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 36 L 7.89 3.76 0.00 1.81 1.58 0.81 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 37 M 7.72 3.52 0.00 1.48 1.87 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.52 2.67 0.00 38 T 8.14 3.89 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 39 T 7.74 3.88 4.30 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 1.21 0.00 0.00 40 L 7.69 3.86 0.00 1.62 1.37 0.92 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.80 4.55 0.00 3.22 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 42 A 8.04 4.07 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 43 D 8.31 4.66 0.00 2.73 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 44 N 8.43 5.08 0.00 2.98 2.92 0.00 0.00 6.58 8.61 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 45 Q 8.68 4.34 0.00 2.22 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.05 7.10 0.00 0.00 0.00 0.00 0.00 2.37 2.32 0.00 46 E 8.33 4.10 0.00 2.19 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 2.48 2.39 0.00 47 T 8.40 4.40 4.74 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 1.43 0.00 0.00 48 I 7.93 3.78 1.85 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.73 0.68 0.00 0.00 49 G 7.62 3.47 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 0.00 0.00 0.00 0.00 50 Y 7.65 4.33 0.00 2.56 2.49 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 51 F 8.17 4.98 0.00 2.98 3.02 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 52 K 8.37 3.87 0.00 1.76 1.81 0.00 1.72 0.00 0.00 1.73 0.00 0.00 2.85 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.42 7.81 53 R 8.03 3.98 0.00 1.84 2.02 0.00 3.32 0.00 0.00 3.25 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 54 L 7.88 4.22 0.00 1.87 1.76 0.93 1.01 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 55 G 7.84 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 56 D 8.34 4.60 0.00 2.68 2.58 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 57 V 7.77 3.88 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 0.65 0.00 0.00 0.65 0.00 0.00 58 S 7.98 4.31 0.00 4.01 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 59 Q 8.36 4.14 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 5.88 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 60 G 7.59 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 0.00 0.00 0.00 61 M 9.09 3.89 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 62 A 7.55 4.01 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 63 N 8.20 4.56 0.00 2.79 2.92 0.00 0.00 7.01 8.07 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 64 D 8.74 4.41 0.00 2.74 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 65 K 8.10 4.05 0.00 1.98 1.91 0.00 1.75 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.67 4.02 0.00 1.79 1.86 1.00 1.01 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 67 R 8.55 3.98 0.00 2.15 2.06 0.00 3.16 0.00 0.00 3.39 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.57 3.68 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 69 H 8.49 4.22 0.00 3.37 3.60 0.00 5.79 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 S 8.36 4.12 0.00 4.03 3.94 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 71 I 7.66 3.79 1.96 0.00 0.00 0.91 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 0.63 1.15 0.00 0.00 72 T 7.91 4.19 4.42 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 1.28 0.00 0.00 73 L 8.04 4.05 0.00 1.76 1.85 0.95 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 74 M 7.96 4.26 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.92 0.00 75 Y 7.92 4.03 0.00 3.19 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 76 A 7.72 3.72 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 77 L 7.40 3.44 0.00 1.45 1.17 0.98 1.18 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 78 Q 7.81 3.44 0.00 2.41 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.51 2.62 0.00 79 N 7.59 4.22 0.00 2.82 2.73 0.00 0.00 7.29 7.18 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 80 F 7.52 4.51 0.00 2.96 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 81 I 7.66 3.50 1.51 0.00 0.00 0.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 -0.12 0.81 0.00 0.00 82 D 8.04 4.41 0.00 2.78 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 83 Q 7.60 4.41 0.00 2.05 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.75 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 84 L 7.38 3.93 0.00 1.49 1.66 0.75 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 85 D 7.90 4.47 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 86 N 7.98 4.80 0.00 2.72 2.64 0.00 0.00 7.06 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 87 P 0.00 4.16 0.00 2.29 2.15 0.00 3.67 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.14 2.19 0.00 88 D 8.12 4.46 0.00 2.85 2.79 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 89 D 8.19 4.36 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 90 L 7.99 3.82 0.00 1.84 1.68 0.70 0.55 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 91 V 7.72 3.28 1.63 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 0.68 0.00 0.00 0.03 0.00 0.00 92 C 7.82 4.11 0.00 3.20 3.17 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 93 V 7.80 3.68 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 1.28 0.00 0.00 1.06 0.00 0.00 94 V 7.92 3.53 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 0.75 0.00 0.00 0.31 0.00 0.00 95 E 8.40 3.96 0.00 2.03 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 2.27 2.42 0.00 96 K 7.84 3.91 0.00 1.88 2.17 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.10 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.54 1.60 7.81 97 F 8.57 4.32 0.00 3.42 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 98 A 8.33 3.95 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 99 V 7.53 3.49 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 1.08 0.00 0.00 1.02 0.00 0.00 100 N 7.65 4.24 0.00 2.86 2.71 0.00 0.00 7.09 8.04 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 0.00 101 H 7.88 3.93 0.00 3.18 3.32 0.00 5.81 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 0.00 102 I 7.91 3.70 1.97 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.89 0.00 0.00 103 T 7.89 3.80 4.33 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 1.19 0.00 0.00 104 R 7.29 4.40 0.00 1.57 1.84 0.00 3.24 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.61 0.00 105 K 7.87 3.78 0.00 1.91 1.91 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.39 1.39 7.81 106 I 7.67 3.96 1.98 0.00 0.00 -0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.63 0.96 0.00 0.00 107 S 8.40 4.48 0.00 4.08 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 0.00 108 A 8.48 3.99 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 0.00 109 A 7.91 4.01 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 0.00 110 E 8.27 4.09 0.00 2.18 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 2.39 0.00 111 F 8.69 4.14 0.00 3.33 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 0.00 112 G 8.41 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 0.00 113 K 7.99 4.24 0.00 2.00 1.90 0.00 1.86 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.51 1.73 7.81 114 I 7.62 3.78 1.59 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.12 0.83 0.00 0.00 115 N 8.19 4.48 0.00 2.98 2.90 0.00 0.00 6.71 7.62 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 0.00 116 G 7.58 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 0.00 117 P 0.00 4.23 0.00 2.18 2.15 0.00 3.68 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 118 I 7.75 3.50 1.97 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.74 0.63 0.00 0.00 119 K 8.11 3.92 0.00 1.94 1.99 0.00 1.67 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.47 1.54 7.81 120 K 8.12 3.97 0.00 1.97 1.81 0.00 1.70 0.00 0.00 1.56 0.00 0.00 2.90 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.45 1.62 7.81 121 V 7.96 3.53 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 0.90 0.00 0.00 0.89 0.00 0.00 122 L 8.10 4.05 0.00 1.91 1.96 0.91 0.77 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 0.00 123 A 8.27 4.03 1.40 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 0.00 0.00 0.00 124 S 7.94 4.14 0.00 4.02 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 0.00 125 K 7.16 4.39 0.00 2.15 1.92 0.00 1.79 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.55 1.60 7.81 126 N 7.98 4.10 0.00 2.59 2.75 0.00 0.00 6.78 6.96 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 0.00 127 F 8.19 4.43 0.00 3.07 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 0.00 128 G 8.59 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 0.00 129 D 8.92 4.52 0.00 2.75 2.80 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 0.00 130 K 8.22 3.80 0.00 1.77 1.73 0.00 1.61 0.00 0.00 1.64 0.00 0.00 2.84 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.10 1.37 7.81 131 Y 8.12 4.12 0.00 3.46 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 0.00 132 A 8.19 4.22 1.45 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 0.00 133 N 8.79 4.37 0.00 2.89 2.90 0.00 0.00 6.91 6.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 A 7.81 3.95 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 0.00 135 W 8.61 3.86 0.00 3.61 3.36 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 0.00 136 A 8.32 4.12 1.47 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 0.00 0.00 0.00 137 K 7.59 3.98 0.00 1.81 1.81 0.00 1.79 0.00 0.00 1.58 0.00 0.00 2.95 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.44 1.43 7.81 138 L 7.53 3.91 0.00 1.39 1.70 0.61 0.39 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 0.00 139 V 8.14 3.75 2.37 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 1.22 0.00 0.00 1.21 0.00 0.00 140 A 8.01 4.53 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 0.00 141 V 7.27 3.42 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 0.58 0.00 0.00 0.81 0.00 0.00 142 V 7.46 3.51 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 0.59 0.00 0.00 0.66 0.00 0.00 143 Q 8.13 3.84 0.00 2.29 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.49 2.68 0.00 144 A 7.81 4.03 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 0.00 145 A 7.65 4.32 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 0.00 146 L 7.39 4.13 0.00 1.60 1.52 0.60 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00