NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 P 4.3693 0.0000 0.0000 61.9546 33.3456 176.5109 4 S 3.9447 8.0301 114.2779 58.4881 63.5591 172.6391 5 D 4.5089 9.0977 129.8585 57.9251 41.1170 178.9060 6 L 4.1642 7.9836 119.8907 58.1550 42.1726 178.3838 7 E 4.0834 8.0867 118.8777 58.8677 29.6351 178.5718 8 E 3.9657 8.3336 118.9526 59.3393 29.6742 178.8346 9 L 4.0503 7.8762 120.2554 58.1650 41.6734 178.6181 10 E 3.9145 8.4644 119.6235 59.5185 29.5664 178.8376 11 Q 3.8481 8.6332 118.1525 58.4467 28.6956 178.2806 12 F 4.2717 8.8713 122.4122 61.0041 39.3761 177.0296 13 A 3.9069 7.9022 120.0672 55.0001 18.1334 179.8175 14 K 3.8932 7.5646 116.4998 59.9579 32.1260 179.4554 15 T 3.7868 8.1492 116.2538 66.6958 68.4437 175.9267 16 F 3.6829 8.4855 123.4148 61.2874 39.2566 177.1447 17 K 4.0663 8.3026 118.7841 59.7298 31.9463 178.3494 18 Q 3.9395 7.9502 118.0782 59.4270 28.6144 179.4625 19 R 3.8276 8.0967 118.7479 59.0833 30.1052 179.3038 20 R 3.8512 7.6966 118.5703 59.4937 30.2859 178.6190 21 I 3.8867 8.3894 122.4295 64.8406 36.9802 178.7142 22 K 4.0481 8.3380 124.9585 60.0060 31.2667 181.7964 23 L 4.3699 7.7125 116.3630 54.4407 42.1016 177.4658 24 G 4.0275 8.2532 107.1629 47.6169 0.0000 173.8172 25 F 4.8688 7.9908 115.8786 55.7057 41.4293 177.2007 26 T 4.3798 8.7165 121.8977 62.9824 70.6939 176.1295 27 Q 4.1540 8.7670 122.8685 59.3612 28.8644 179.7021 28 G 3.6864 8.1143 106.0701 47.7705 0.0000 175.4014 29 D 4.4745 8.0085 120.7658 57.1695 41.0197 178.7500 30 V 2.9671 7.8109 118.8896 65.7717 31.2887 178.2874 31 G 4.1456 7.8014 106.4401 47.1185 0.0000 175.4079 32 L 3.9672 7.8399 122.2342 58.0430 42.2234 179.0083 33 A 4.1464 8.2975 120.9906 55.2489 18.2053 179.4678 34 M 4.3103 8.0805 117.4912 58.0084 31.4513 178.7796 35 G 3.7610 7.8199 107.7517 46.8243 0.0000 175.2115 36 K 3.8349 7.9757 121.3105 59.0978 32.2429 178.2164 37 L 3.9028 7.1503 115.9285 57.1070 41.2243 177.8306 38 Y 4.8399 7.6879 114.0692 57.2224 38.7217 176.0564 39 G 3.6840 7.9171 106.2493 46.2386 0.0000 174.0505 40 N 4.0768 7.3666 113.1513 52.4028 41.9383 174.5593 41 D 4.5248 7.7064 122.7601 53.5432 43.6584 174.9031 42 F 5.0596 8.2621 117.6758 55.5412 42.5720 175.7695 43 S 4.5585 8.8614 118.0030 58.1500 64.1138 175.1402 44 Q 3.9846 8.7920 121.0126 59.5129 28.7723 178.1455 45 T 3.8817 7.9870 116.3701 67.1976 68.4691 176.3510 46 T 3.8952 8.1034 117.3228 66.7197 68.3817 176.8159 47 I 3.6275 7.6244 121.2480 64.3787 37.0916 178.4830 48 S 4.1241 8.3490 114.1193 61.4084 62.2438 176.4535 49 R 3.9164 8.1974 120.8746 59.0313 29.8434 178.5687 50 F 3.8188 8.3461 120.5395 61.5286 39.2223 177.1135 51 E 4.1568 8.5617 116.1182 58.1317 29.1871 177.6302 52 A 4.5601 7.1852 120.0235 51.2835 19.2846 176.1140 53 L 3.5779 7.5073 115.6289 57.3024 39.4993 174.7815 54 N 4.9211 8.4086 114.0915 53.3098 38.9642 174.5936 55 L 4.8210 7.5150 116.9077 52.0544 45.5433 176.7966 56 S 4.4465 8.1740 114.5779 57.9124 64.9199 175.0139 57 F 4.0414 8.6698 123.7196 61.3094 39.0911 176.6925 58 K 3.6970 8.2516 118.7068 59.7430 32.0499 177.7853 59 N 4.2202 8.3534 117.2236 56.8389 38.8242 176.4411 60 M 4.1080 8.0151 119.4010 58.9602 32.1736 178.2918 61 S 3.9297 7.6711 113.9790 61.5082 62.9115 176.5912 62 K 4.0592 7.3908 120.4235 58.8473 32.1221 178.8317 63 L 3.8864 7.6546 118.4410 56.3421 41.5909 178.6511 64 K 3.6731 7.9519 120.1924 59.3170 31.8866 176.2799 65 P 4.0982 0.0000 0.0000 65.7679 31.3060 178.5213 66 L 3.9963 7.4711 118.1071 57.3461 41.5589 179.5548 67 L 4.1393 7.9351 119.0495 57.4097 41.3635 179.3021 68 E 4.2377 8.6220 119.9691 59.1589 29.6246 178.5343 69 K 3.9176 8.4227 120.0762 59.4098 32.1517 178.2134 70 W 4.1231 8.3664 128.4648 60.5258 30.5359 177.5691 71 L 3.2216 8.4436 120.0571 57.9590 41.6801 178.7059 72 N 4.2406 8.2986 116.3144 56.5296 38.4261 177.1185 73 D 4.3853 8.1934 118.3312 56.3381 40.7690 177.6564 74 A 4.2841 7.0112 120.4130 52.8690 19.9596 178.5187 75 E 3.7697 7.9871 116.7708 58.9807 29.5622 178.6942 76 N 4.4291 7.6406 115.8485 56.4081 38.7562 175.2731 77 L 3.8800 7.4783 120.9712 56.6022 42.0859 176.8659 *97 G 3.8429 8.0515 110.1407 44.8436 0.0000 172.4919 98 L 4.3528 7.5804 119.5341 53.7149 42.8991 176.0882 99 S 4.6110 8.1708 116.4442 57.9045 64.0458 173.8945 100 R 4.6704 7.9424 119.3032 54.0457 33.0500 175.9016 101 R 3.9846 8.4770 121.7908 55.8283 30.7498 176.3338 102 R 3.8635 8.5430 123.2484 56.3788 30.6710 176.2111 103 K 4.0868 8.3917 122.6942 55.7501 32.9330 176.6532 104 K 4.0451 8.3787 126.7051 56.2599 32.8140 176.0719 105 R 4.1796 8.3689 125.2537 56.1696 30.6847 175.7464 106 T 4.6285 8.2012 121.1080 61.4412 71.5893 174.1718 107 S 4.2198 8.6557 122.1617 58.7065 63.4928 174.0757 108 I 4.1608 8.0429 123.9812 59.8480 37.2350 176.2352 109 E 4.0633 8.6298 126.2219 56.5082 31.2890 177.3762 110 T 3.8809 8.4924 120.6519 66.8209 68.6122 176.2705 111 N 4.2749 8.1719 118.2009 56.2716 37.1172 176.9443 112 I 3.5827 7.4627 122.3425 63.7663 37.1121 178.1026 113 R 3.8200 8.0024 119.5355 59.6772 29.7839 178.6666 114 V 3.5807 8.0119 117.6199 65.8050 31.4160 177.6915 115 A 3.9258 7.9380 120.4566 55.3532 18.3105 179.4682 116 L 3.4776 8.2427 117.4896 57.7548 41.2301 179.5707 117 E 4.1765 8.1284 118.7733 59.2063 29.9166 178.8264 118 K 4.1725 8.2105 118.6397 59.6688 32.1907 179.1505 119 S 4.5344 8.3020 114.9623 60.8951 61.9716 175.9940 120 F 4.8389 8.2849 122.4952 61.3399 39.1889 176.8271 121 L 3.9918 7.7411 117.8159 57.7768 41.6376 178.8065 122 E 4.1012 8.2464 118.2348 58.0373 29.6021 176.7963 123 N 4.3928 7.3450 110.8681 52.5472 40.0695 174.4820 124 Q 4.7932 8.7746 118.6315 56.7305 29.9142 175.9547 125 K 4.7282 7.6066 117.0698 54.3019 32.7089 174.4958 126 P 4.1651 0.0000 0.0000 63.2965 31.9453 177.0432 127 T 4.3125 8.6311 111.6191 60.5909 71.6139 175.9618 128 S 4.2720 8.4462 116.1988 61.9574 62.6574 176.8649 129 E 3.8033 8.0808 119.6024 59.3677 29.0623 178.7653 130 E 3.9345 7.8052 118.1368 59.1687 29.4335 179.2871 131 I 3.7168 8.4826 120.9174 64.7382 37.1722 178.5686 132 T 3.8565 8.4620 117.1142 66.8764 68.2122 176.4549 133 M 4.0008 8.8602 121.6095 58.4565 31.9779 178.5305 134 I 3.6558 8.8338 120.3476 64.5803 37.3151 178.1703 135 A 3.9569 8.1910 121.3679 55.4078 18.1029 179.1473 136 D 4.2355 8.5121 116.8563 57.5458 41.0111 178.3033 137 Q 3.9837 8.3445 119.7607 58.6462 29.1714 177.1236 138 L 4.2861 7.9530 117.1904 53.3282 42.8817 175.8987 139 N 4.1228 7.6614 116.8609 55.2349 37.5978 172.6597 140 M 4.8905 8.0740 115.8030 52.7384 36.6312 176.3522 141 E 4.2025 8.6359 120.0475 56.8072 30.9935 177.4600 142 K 3.7934 8.8229 122.1432 59.8197 32.1575 177.9258 143 E 3.9274 8.2641 118.5801 59.9267 29.6987 179.8138 144 V 3.6458 7.7748 117.3397 66.1243 31.7705 177.9750 145 I 3.8439 7.8217 119.5445 64.2041 36.8086 178.2685 146 R 4.0394 8.5109 120.0858 59.7488 29.8966 178.8377 147 V 3.6890 8.2828 118.0971 65.5831 31.3438 177.8039 148 W 3.9378 8.3738 128.5354 60.3893 30.6820 178.0956 149 F 4.0569 8.6960 117.4390 60.2935 38.3008 177.7834 150 S 4.1313 8.0658 113.1501 61.5507 62.3026 175.9848 151 N 4.2032 8.2117 119.4307 56.2402 37.8828 177.4831 152 R 3.2021 7.7596 120.3483 58.6299 29.6118 178.4708 153 R 4.0575 7.5088 118.4633 58.9294 29.7693 178.2622 154 Q 3.9149 7.3896 118.6090 59.0875 29.2949 177.6120 155 K 3.8150 7.7051 119.3187 59.3278 32.2669 178.0448 156 E 4.2205 7.8371 121.7390 59.7006 29.5001 180.9870 157 K 4.6288 7.6746 123.9507 58.0206 31.9750 180.3949 158 R 4.5490 8.6604 120.5425 58.6562 33.9461 178.6879 *159 I 4.0436 7.5615 120.8870 60.0403 36.1680 177.7507 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 3 P 0.00 4.37 0.00 2.21 2.23 0.00 3.76 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.97 0.00 4 S 8.03 3.94 0.00 4.00 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 5 D 9.10 4.51 0.00 2.82 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 6 L 7.98 4.16 0.00 1.77 1.69 1.05 0.83 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 7 E 8.09 4.08 0.00 2.14 1.95 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 2.39 2.49 0.00 8 E 8.33 3.97 0.00 2.22 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 2.65 0.00 9 L 7.88 4.05 0.00 2.06 1.80 0.85 0.63 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 10 E 8.46 3.91 0.00 2.30 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 2.32 2.41 0.00 11 Q 8.63 3.85 0.00 2.23 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.59 0.00 0.00 0.00 0.00 0.00 2.57 2.66 0.00 12 F 8.87 4.27 0.00 3.24 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 13 A 7.90 3.91 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 14 K 7.56 3.89 0.00 1.91 1.87 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.68 7.81 15 T 8.15 3.79 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 1.24 0.00 0.00 16 F 8.49 3.68 0.00 1.95 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 17 K 8.30 4.07 0.00 2.06 1.98 0.00 1.75 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.46 1.69 7.81 18 Q 7.95 3.94 0.00 2.26 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.53 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 19 R 8.10 3.83 0.00 1.80 1.98 0.00 3.14 0.00 0.00 3.08 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.70 0.00 20 R 7.70 3.85 0.00 1.53 1.99 0.00 3.19 0.00 0.00 3.49 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.55 0.00 21 I 8.39 3.89 1.88 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 1.41 1.20 0.93 0.00 0.00 22 K 8.34 4.05 0.00 1.75 1.80 0.00 1.82 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.38 1.37 7.81 23 L 7.71 4.37 0.00 2.10 2.23 0.99 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 0.00 0.00 0.00 0.00 0.00 0.00 24 G 8.25 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 0.00 0.00 0.00 25 F 7.99 4.87 0.00 3.39 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 26 T 8.72 4.38 4.62 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 1.30 0.00 0.00 27 Q 8.77 4.15 0.00 2.13 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.90 0.00 0.00 0.00 0.00 0.00 2.52 2.49 0.00 28 G 8.11 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 29 D 8.01 4.47 0.00 3.26 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 30 V 7.81 2.97 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 -0.01 0.00 0.00 0.44 0.00 0.00 31 G 7.80 4.15 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 0.00 0.00 0.00 32 L 7.84 3.97 0.00 2.02 1.79 0.93 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 33 A 8.30 4.15 1.52 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 34 M 8.08 4.31 0.00 2.53 2.47 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.74 0.00 35 G 7.82 3.76 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 0.00 0.00 0.00 36 K 7.98 3.83 0.00 1.73 1.86 0.00 1.66 0.00 0.00 1.70 0.00 0.00 3.11 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.43 1.58 7.81 37 L 7.15 3.90 0.00 1.31 0.13 0.85 0.84 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 38 Y 7.69 4.84 0.00 3.01 2.86 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 39 G 7.92 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 40 N 7.37 4.08 0.00 2.59 2.26 0.00 0.00 7.00 8.08 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 41 D 7.71 4.52 0.00 2.57 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 42 F 8.26 5.06 0.00 2.88 2.81 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 43 S 8.86 4.56 0.00 3.93 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 44 Q 8.79 3.98 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.89 0.00 0.00 0.00 0.00 0.00 2.45 2.42 0.00 45 T 7.99 3.88 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 46 T 8.10 3.90 4.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 47 I 7.62 3.63 1.98 0.00 0.00 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.07 0.92 0.00 0.00 48 S 8.35 4.12 0.00 4.17 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 49 R 8.20 3.92 0.00 2.04 1.96 0.00 3.20 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.90 0.00 50 F 8.35 3.82 0.00 3.12 3.13 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 0.00 0.00 0.00 0.00 51 E 8.56 4.16 0.00 2.05 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 2.65 2.67 0.00 52 A 7.19 4.56 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 53 L 7.51 3.58 0.00 1.78 1.72 0.84 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 54 N 8.41 4.92 0.00 2.62 2.80 0.00 0.00 6.63 7.86 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 55 L 7.52 4.82 0.00 1.54 1.55 1.03 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 56 S 8.17 4.45 0.00 4.09 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 57 F 8.67 4.04 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 58 K 8.25 3.70 0.00 1.98 1.82 0.00 1.70 0.00 0.00 1.80 0.00 0.00 3.07 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.53 1.56 7.81 59 N 8.35 4.22 0.00 2.80 2.78 0.00 0.00 6.95 8.29 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 60 M 8.02 4.11 0.00 2.05 1.99 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.41 2.41 0.00 61 S 7.67 3.93 0.00 3.67 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 62 K 7.39 4.06 0.00 1.75 1.77 0.00 1.65 0.00 0.00 1.66 0.00 0.00 3.00 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.39 1.55 7.81 63 L 7.65 3.89 0.00 1.71 1.10 0.69 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 64 K 7.95 3.67 0.00 1.81 1.68 0.00 1.50 0.00 0.00 1.43 0.00 0.00 2.22 0.00 0.00 2.85 0.00 0.00 0.00 0.00 0.91 0.88 7.81 65 P 0.00 4.10 0.00 2.06 2.01 0.00 3.54 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.08 0.00 66 L 7.47 4.00 0.00 1.39 1.27 0.53 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.94 4.14 0.00 1.49 1.25 -0.99 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 68 E 8.62 4.24 0.00 1.85 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 2.31 2.40 0.00 69 K 8.42 3.92 0.00 2.02 2.02 0.00 1.83 0.00 0.00 1.78 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.54 1.52 7.81 70 W 8.37 4.12 0.00 3.65 3.57 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 71 L 8.44 3.22 0.00 2.41 1.97 0.67 0.66 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 72 N 8.30 4.24 0.00 2.94 2.82 0.00 0.00 7.06 7.59 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 73 D 8.19 4.39 0.00 2.64 2.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.01 4.28 0.40 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 75 E 7.99 3.77 0.00 1.84 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 2.21 2.43 0.00 76 N 7.64 4.43 0.00 2.66 2.84 0.00 0.00 6.92 7.23 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 77 L 7.48 3.88 0.00 1.39 1.44 0.91 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 *97 G 8.05 3.84 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 0.00 0.00 0.00 98 L 7.58 4.35 0.00 1.65 1.63 0.92 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 99 S 8.17 4.61 0.00 3.86 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 0.00 100 R 7.94 4.67 0.00 1.74 1.78 0.00 3.21 0.00 0.00 3.15 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 101 R 8.48 3.98 0.00 1.74 1.81 0.00 3.25 0.00 0.00 3.18 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.60 0.00 102 R 8.54 3.86 0.00 1.78 1.87 0.00 3.24 0.00 0.00 3.15 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 103 K 8.39 4.09 0.00 1.71 1.71 0.00 1.79 0.00 0.00 1.64 0.00 0.00 2.99 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.43 7.81 104 K 8.38 4.05 0.00 1.75 1.69 0.00 1.82 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.42 1.42 7.81 105 R 8.37 4.18 0.00 1.82 1.82 0.00 3.23 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.65 0.00 106 T 8.20 4.63 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 107 S 8.66 4.22 0.00 3.87 3.82 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 0.00 0.00 0.00 108 I 8.04 4.16 1.94 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 1.40 1.00 0.89 0.00 0.00 109 E 8.63 4.06 0.00 2.06 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 2.38 2.48 0.00 110 T 8.49 3.88 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 1.22 0.00 0.00 111 N 8.17 4.27 0.00 2.97 3.08 0.00 0.00 6.18 7.83 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 0.00 112 I 7.46 3.58 1.94 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.93 0.76 0.00 0.00 113 R 8.00 3.82 0.00 2.07 2.16 0.00 3.32 0.00 0.00 3.18 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.79 0.00 114 V 8.01 3.58 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.02 0.00 0.00 115 A 7.94 3.93 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 0.00 116 L 8.24 3.48 0.00 1.03 0.13 -0.08 0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.13 0.00 0.00 0.00 0.00 0.00 0.00 117 E 8.13 4.18 0.00 2.22 2.24 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 2.42 2.52 0.00 118 K 8.21 4.17 0.00 2.01 1.87 0.00 1.74 0.00 0.00 1.59 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.49 1.66 7.81 119 S 8.30 4.53 0.00 3.95 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 0.00 120 F 8.28 4.84 0.00 3.37 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 0.00 121 L 7.74 3.99 0.00 1.96 1.72 0.96 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 122 E 8.25 4.10 0.00 2.22 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 2.42 2.41 0.00 123 N 7.35 4.39 0.00 2.78 2.72 0.00 0.00 7.05 7.52 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 0.00 124 Q 8.77 4.79 0.00 2.14 2.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.51 0.00 0.00 0.00 0.00 0.00 1.50 2.12 0.00 125 K 7.61 4.73 0.00 1.71 1.74 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.09 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.43 7.81 126 P 0.00 4.17 0.00 1.75 1.65 0.00 3.68 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.44 0.00 127 T 8.63 4.31 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 128 S 8.45 4.27 0.00 3.87 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 0.00 129 E 8.08 3.80 0.00 2.14 2.19 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 2.34 2.33 0.00 130 E 7.81 3.93 0.00 2.20 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 2.29 2.31 0.00 131 I 8.48 3.72 2.05 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 1.35 0.63 0.94 0.00 0.00 132 T 8.46 3.86 4.39 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 1.21 0.00 0.00 133 M 8.86 4.00 0.00 1.90 2.25 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.72 0.00 134 I 8.83 3.66 1.91 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.85 0.96 0.00 0.00 135 A 8.19 3.96 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 0.00 136 D 8.51 4.24 0.00 2.74 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 0.00 137 Q 8.34 3.98 0.00 2.04 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.76 0.00 0.00 0.00 0.00 0.00 2.36 2.39 0.00 138 L 7.95 4.29 0.00 1.60 1.62 0.79 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 139 N 7.66 4.12 0.00 2.72 2.80 0.00 0.00 6.88 7.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 M 8.07 4.89 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.77 0.00 141 E 8.64 4.20 0.00 2.07 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 2.40 2.46 0.00 142 K 8.82 3.79 0.00 1.81 1.80 0.00 1.71 0.00 0.00 1.75 0.00 0.00 2.88 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.55 1.56 7.81 143 E 8.26 3.93 0.00 2.09 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 2.41 2.50 0.00 144 V 7.77 3.65 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 1.07 0.00 0.00 0.98 0.00 0.00 145 I 7.82 3.84 2.12 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.04 1.14 0.00 0.00 146 R 8.51 4.04 0.00 1.91 2.17 0.00 3.40 0.00 0.00 3.13 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.72 0.00 147 V 8.28 3.69 2.34 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 1.05 0.00 0.00 1.03 0.00 0.00 148 W 8.37 3.94 0.00 3.57 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 F 8.70 4.06 0.00 3.48 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 0.00 150 S 8.07 4.13 0.00 3.91 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 0.00 151 N 8.21 4.20 0.00 2.45 2.59 0.00 0.00 6.73 8.38 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 0.00 152 R 7.76 3.20 0.00 0.67 0.66 0.00 2.48 0.00 0.00 2.42 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 153 R 7.51 4.06 0.00 2.35 2.01 0.00 3.30 0.00 0.00 3.57 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.87 0.00 154 Q 7.39 3.91 0.00 2.09 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.69 0.00 0.00 0.00 0.00 0.00 2.32 2.37 0.00 155 K 7.71 3.81 0.00 1.60 1.76 0.00 1.67 0.00 0.00 1.43 0.00 0.00 2.91 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.37 1.38 7.81 156 E 7.84 4.22 0.00 2.45 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.44 2.44 0.00 157 K 7.67 4.63 0.00 1.87 1.67 0.00 1.82 0.00 0.00 1.74 0.00 0.00 2.99 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.39 1.32 7.81 158 R 8.66 4.55 0.00 1.70 1.65 0.00 3.27 0.00 0.00 3.26 7.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.43 0.00 *159 I 7.56 4.04 1.87 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 1.27 0.97 0.91 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.