NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.5075 0.0000 0.0000 61.9307 34.0721 175.5501 3 S 5.1443 8.0518 111.7388 56.4002 65.5477 171.8671 4 I 4.7498 9.3179 125.1947 59.9121 42.6304 173.4509 5 K 5.1120 8.7299 124.4921 54.8948 34.5874 175.2057 6 L 5.0481 9.3095 124.3422 53.0166 45.0998 175.2942 7 Q 5.2398 8.8705 123.4653 54.0590 31.6354 175.0493 8 S 4.9060 9.4809 122.7628 58.3100 63.8426 175.4708 9 S 4.4180 9.3770 117.1869 59.8983 63.5375 174.7622 10 D 4.7229 8.0759 119.7660 53.8375 39.9604 175.9856 11 G 4.3207 8.6424 113.0454 47.1229 0.0000 175.3158 12 E 3.9343 7.9494 120.0480 56.5858 30.7909 176.1985 13 I 5.6274 7.8624 122.6328 58.7799 39.9603 174.7710 14 F 4.8212 9.0652 125.3591 55.6471 42.2189 174.4849 15 E 5.0721 8.9571 122.3584 55.3079 30.4890 175.6906 16 V 4.5326 8.3466 118.1288 59.0467 35.4304 175.2250 17 D 4.9020 8.4569 121.4362 53.9741 42.0710 177.4317 18 V 3.6221 8.4232 119.6450 64.8535 31.3138 178.6121 19 E 4.0402 9.0957 118.1316 58.7192 29.8547 178.3482 20 I 4.0053 7.5549 119.3087 63.7869 37.5839 177.7920 21 A 4.0803 8.2530 121.7736 54.6998 18.0056 179.2602 22 K 4.0849 7.9387 116.9045 58.7589 32.3287 178.5354 23 Q 4.3473 7.7516 116.9913 57.2676 28.8800 175.8417 24 S 4.4972 7.7247 115.6549 56.4804 62.5553 174.2229 25 V 3.6241 8.0342 128.3500 66.7695 31.1987 177.7603 26 T 3.7513 7.5644 115.1718 66.7790 68.4635 176.7039 27 I 3.7283 7.6224 121.0834 63.9246 36.8429 178.6822 28 K 3.8810 8.2182 120.4532 59.8290 32.4235 178.2610 29 T 3.9495 8.2678 113.7608 65.5945 66.9823 175.8517 30 M 4.0703 7.9430 120.0052 58.2702 31.9003 178.3085 31 L 4.2656 7.6670 115.9103 56.9636 41.8876 176.6178 32 E 4.5022 7.8901 116.5564 57.8792 32.5341 177.1303 33 D 4.7858 8.5550 117.2999 55.6717 40.8666 177.1503 34 L 4.5319 8.3047 117.5462 53.8355 47.8109 176.1233 35 G 3.9960 7.9714 106.3758 46.6918 0.0000 172.1446 36 M 4.3757 7.2787 116.9181 53.9113 34.0355 176.1921 *43 D 5.1136 7.6119 117.9711 54.4789 43.3806 175.4094 44 P 4.7498 0.0000 0.0000 61.5159 29.6866 173.7631 45 V 3.5631 8.4664 121.1066 62.7358 32.9139 173.1711 46 P 4.5951 0.0000 0.0000 62.4740 31.6578 177.1008 47 L 5.1006 8.4541 126.0417 52.1994 40.8896 175.8631 48 P 4.3444 0.0000 0.0000 64.7445 31.8446 177.7568 49 N 4.4453 7.8623 114.5906 52.6714 39.1295 174.4614 50 V 4.3111 7.6647 119.4785 60.2367 33.9575 175.1178 51 N 5.0479 8.8409 126.4186 51.4562 39.7335 175.6093 52 A 4.3329 9.0384 121.6860 55.0784 17.7242 179.9276 53 A 4.0362 8.0531 119.0115 55.4517 18.7031 179.7583 54 I 3.6615 7.7885 117.8098 64.5168 37.1634 178.3214 55 L 3.9150 7.8256 121.1696 58.1751 41.8962 178.9275 56 K 3.5612 7.5779 119.3893 59.1156 32.0245 179.0917 57 K 4.2371 7.6759 118.0242 59.6277 32.1638 179.3235 58 V 3.8467 8.3545 118.8674 66.3915 31.2503 178.1415 59 I 3.8666 8.1245 119.6442 64.0910 36.9458 178.1819 60 Q 4.0359 8.1165 120.2837 58.8965 29.0120 178.0502 61 W 3.8630 8.7559 129.7353 60.7718 30.5694 177.7356 62 C 4.2618 8.2622 115.1963 62.9772 27.7675 176.0368 63 T 3.8952 8.1099 117.5457 67.0001 67.8920 176.0475 64 H 3.4967 7.6885 118.4502 58.2770 29.8451 175.2386 65 H 5.3395 7.4155 117.0229 54.0290 29.1725 176.6674 66 K 3.9217 7.7090 121.8482 59.6763 32.4011 177.5418 67 D 4.5470 7.6732 117.5147 55.6541 42.1740 177.7085 68 D 4.4533 7.2602 119.8018 53.6725 41.4556 174.6632 *85 I 4.2749 8.1337 122.1531 61.3615 38.4100 174.3236 86 P 4.4735 0.0000 0.0000 62.8404 33.1499 177.5060 87 V 3.6827 8.3987 119.1595 65.8114 31.4349 178.2648 88 W 4.0599 8.2758 127.6697 60.7679 30.6452 177.5358 89 D 4.2182 8.5986 118.2429 57.4793 40.0252 178.8838 90 Q 4.0389 7.8543 117.9647 58.8830 29.0913 178.0519 91 E 4.0288 8.4169 119.0462 59.2012 29.3279 178.7771 92 F 3.7970 8.4125 121.8854 60.7088 39.3725 176.4570 93 L 4.2914 7.8928 116.2589 54.1215 43.5268 178.0621 94 K 4.2285 7.3132 121.7258 55.1286 30.4025 174.7636 95 V 4.5025 6.9226 113.9238 58.2076 36.3716 175.8750 96 D 4.5789 8.2283 120.2306 53.2286 41.1505 176.9123 97 Q 4.1672 8.8242 120.0577 59.4666 28.6299 179.9150 98 G 3.6675 8.1045 105.7473 48.2452 0.0000 175.5725 99 T 3.8714 8.3540 118.6575 66.2661 68.4960 176.5454 100 L 3.9991 7.9454 122.1897 58.0566 41.5469 178.7999 101 F 4.0410 8.5849 121.0945 61.0216 39.2857 177.1411 102 E 4.1607 8.6157 118.8130 59.2941 29.1511 179.1705 103 L 4.0031 8.3428 119.4927 57.9360 41.7005 179.6954 104 I 3.3096 7.7081 119.6749 64.0046 36.8001 178.6638 105 L 3.8174 7.4355 118.6978 57.7092 41.4996 178.8797 106 A 4.3528 8.4260 120.7832 55.3136 18.2608 179.1218 107 A 3.8292 8.9018 119.7386 55.5066 18.4061 179.4809 108 N 4.1611 8.0508 115.0196 56.9220 38.8802 176.3465 109 Y 4.2129 8.5744 120.6572 60.8412 39.1381 177.7009 110 L 3.7420 8.6062 118.0635 54.0397 42.6636 175.5369 111 D 4.4846 7.6317 117.2924 55.2074 39.6154 172.3830 112 I 4.4941 8.0921 121.6306 57.9376 37.8249 176.1545 113 K 3.8531 8.5765 125.9925 59.5615 31.6256 177.8326 114 G 3.7444 8.0531 105.0932 47.8348 0.0000 175.0630 115 L 2.7220 7.2337 121.6720 55.8417 42.0576 178.3294 116 L 3.8060 7.7491 120.8636 57.9750 42.0157 178.1458 117 D 4.2498 7.8628 117.9163 57.6431 41.3895 178.8205 118 V 3.7463 7.3598 111.7671 64.2974 31.4676 178.8442 119 T 3.8706 7.4845 109.4356 65.0309 68.7395 176.6186 120 C 4.0728 8.0052 119.8817 62.3321 28.1881 176.0930 121 K 4.1315 8.2088 119.2086 58.8182 31.1306 179.5179 122 T 4.0216 7.6796 116.5557 66.4105 68.4483 177.0671 123 V 3.7894 8.0364 120.0743 65.6592 31.5070 177.9741 124 A 4.0102 8.1181 120.7546 55.3504 18.1213 179.3123 125 N 4.4945 8.0787 112.8201 55.8659 38.5929 177.1028 126 M 4.2701 7.4736 119.0550 58.0208 32.3273 178.2602 127 I 3.9493 7.9253 120.0327 63.2173 37.3846 176.8965 128 K 3.8181 7.3780 118.2650 58.4118 32.5454 175.5153 129 G 4.3659 9.0850 116.2418 45.7086 0.0000 174.3185 130 K 4.1522 7.1206 118.7295 56.0749 32.6882 177.7351 131 T 4.3757 8.7320 113.6956 60.2135 71.7249 174.1308 132 P 4.3133 0.0000 0.0000 65.5423 31.1103 178.7044 133 E 3.9250 8.0649 117.7297 59.4666 29.8853 178.5968 134 E 3.9957 7.8317 117.1095 59.0656 29.2797 179.4870 135 I 3.7439 7.7633 120.3660 64.0946 37.2855 178.4367 136 R 3.9872 7.9169 118.5512 59.9094 29.7124 178.3252 137 K 3.7389 8.0777 116.1847 60.5098 32.0147 178.8372 138 T 3.4995 7.9358 109.9391 66.6825 68.6874 175.1343 139 F 5.1185 7.6959 122.7399 55.4359 40.3291 175.0070 140 N 4.1582 7.8117 115.5616 53.8602 36.8303 171.7125 141 I 4.5799 7.4937 119.9788 58.2770 40.5434 175.5772 142 K 3.9563 8.5176 126.2124 56.1961 32.6220 176.1655 143 N 4.5848 8.5135 124.7859 52.8519 37.8716 174.3643 144 D 4.4407 8.1539 125.6703 55.7858 41.4226 177.4431 145 F 4.9843 7.7792 118.1068 57.5967 39.7698 174.8528 146 T 4.6789 8.9139 120.1218 62.0292 69.9601 176.2128 147 E 3.9658 8.7356 123.9794 59.1747 29.2724 179.0163 148 E 3.9209 8.1027 118.7207 58.3549 29.8280 177.9900 149 E 4.0088 8.3048 119.1469 59.2100 29.8285 178.7985 150 E 3.5885 7.9772 117.3924 58.3800 29.4832 179.1431 151 A 3.9199 7.2866 121.2781 55.0630 18.4195 179.4728 152 Q 3.8404 7.6446 118.2501 59.2049 28.9596 178.1110 153 V 4.0508 7.6079 119.8156 65.4951 31.6189 177.6035 154 R 3.9537 7.7165 117.7211 59.1878 29.9896 178.4329 155 K 4.0524 8.0015 119.3993 59.6310 32.2636 178.6423 156 E 4.3087 9.1933 119.4241 58.2969 29.0007 177.9601 157 N 5.0968 7.3601 114.6034 52.9566 39.5709 175.5925 158 Q 4.0462 8.4028 120.4847 58.7661 28.9109 178.6336 159 W 4.4164 8.4518 113.3992 59.6892 28.0466 175.3197 160 C 3.5406 6.1235 122.2740 59.0182 30.6929 172.7241 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 P 0.00 4.51 0.00 1.78 2.12 0.00 3.63 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.60 0.00 3 S 8.05 5.14 0.00 3.92 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 9.32 4.75 1.90 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 1.24 0.62 0.94 0.00 0.00 5 K 8.73 5.11 0.00 1.73 1.74 0.00 1.64 0.00 0.00 1.83 0.00 0.00 2.84 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.47 1.47 7.81 6 L 9.31 5.05 0.00 1.70 1.65 0.94 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 7 Q 8.87 5.24 0.00 2.15 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.95 0.00 0.00 0.00 0.00 0.00 2.29 2.31 0.00 8 S 9.48 4.91 0.00 4.08 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 S 9.38 4.42 0.00 3.93 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 0.00 10 D 8.08 4.72 0.00 2.77 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 11 G 8.64 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 0.00 0.00 0.00 0.00 12 E 7.95 3.93 0.00 2.02 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 2.22 2.33 0.00 13 I 7.86 5.63 1.80 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.14 0.93 0.00 0.00 14 F 9.07 4.82 0.00 3.02 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 15 E 8.96 5.07 0.00 1.88 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.34 0.00 16 V 8.35 4.53 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 0.74 0.00 0.00 1.02 0.00 0.00 17 D 8.46 4.90 0.00 2.68 2.52 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 18 V 8.42 3.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.79 0.00 0.00 0.93 0.00 0.00 19 E 9.10 4.04 0.00 1.91 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 2.30 2.37 0.00 20 I 7.55 4.01 2.00 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.96 0.92 0.00 0.00 21 A 8.25 4.08 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 22 K 7.94 4.08 0.00 1.90 2.05 0.00 1.83 0.00 0.00 1.70 0.00 0.00 3.01 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.45 1.62 7.81 23 Q 7.75 4.35 0.00 2.34 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.04 6.58 0.00 0.00 0.00 0.00 0.00 2.42 2.55 0.00 24 S 7.72 4.50 0.00 3.84 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 V 8.03 3.62 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 0.95 0.00 0.00 0.98 0.00 0.00 26 T 7.56 3.75 4.07 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 0.00 0.00 0.89 0.00 0.00 27 I 7.62 3.73 1.99 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.05 0.95 0.00 0.00 28 K 8.22 3.88 0.00 1.79 1.94 0.00 1.96 0.00 0.00 1.62 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.62 1.43 7.81 29 T 8.27 3.95 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 1.26 0.00 0.00 30 M 7.94 4.07 0.00 2.14 2.09 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.58 0.00 31 L 7.67 4.27 0.00 1.79 1.73 0.93 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 32 E 7.89 4.50 0.00 2.08 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 2.21 2.37 0.00 33 D 8.56 4.79 0.00 2.75 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 34 L 8.30 4.53 0.00 1.83 1.65 0.93 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 35 G 7.97 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 0.00 0.00 0.00 36 M 7.28 4.38 0.00 2.10 1.99 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 2.63 2.55 0.00 *43 D 7.61 5.11 0.00 2.69 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 44 P 0.00 4.75 0.00 1.96 2.04 0.00 3.72 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.09 0.00 45 V 8.47 3.56 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 1.03 0.00 0.00 1.06 0.00 0.00 46 P 0.00 4.60 0.00 2.02 2.03 0.00 3.70 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.29 0.00 47 L 8.45 5.10 0.00 1.88 1.75 0.98 0.88 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 48 P 0.00 4.34 0.00 2.16 2.21 0.00 3.98 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 2.04 2.05 0.00 49 N 7.86 4.45 0.00 1.44 1.83 0.00 0.00 6.63 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 50 V 7.66 4.31 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 1.03 0.00 0.00 1.24 0.00 0.00 51 N 8.84 5.05 0.00 3.21 2.98 0.00 0.00 6.62 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 A 9.04 4.33 1.66 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 0.00 0.00 0.00 0.00 0.00 0.00 53 A 8.05 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 54 I 7.79 3.66 1.89 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 1.67 0.79 0.93 0.00 0.00 55 L 7.83 3.92 0.00 1.87 1.20 0.86 0.60 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 56 K 7.58 3.56 0.00 2.06 2.06 0.00 1.91 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.69 7.81 57 K 7.68 4.24 0.00 2.19 2.04 0.00 1.82 0.00 0.00 1.50 0.00 0.00 2.46 0.00 0.00 2.17 0.00 0.00 0.00 0.00 1.72 1.54 7.81 58 V 8.35 3.85 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 1.09 0.00 0.00 1.02 0.00 0.00 59 I 8.12 3.87 1.85 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.57 0.95 0.00 0.00 60 Q 8.12 4.04 0.00 2.53 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.81 0.00 0.00 0.00 0.00 0.00 2.75 2.61 0.00 61 W 8.76 3.86 0.00 3.16 3.26 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 62 C 8.26 4.26 0.00 3.12 3.11 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 0.00 0.00 0.00 0.00 63 T 8.11 3.90 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 1.13 0.00 0.00 64 H 7.69 3.50 0.00 2.05 2.44 0.00 5.91 0.00 0.00 0.00 0.00 7.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 H 7.42 5.34 0.00 2.43 2.81 0.00 5.88 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 K 7.71 3.92 0.00 1.77 1.91 0.00 1.51 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.36 1.30 7.81 67 D 7.67 4.55 0.00 2.56 2.68 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 68 D 7.26 4.45 0.00 2.80 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 *85 I 8.13 4.27 1.94 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 1.50 0.54 1.03 0.00 0.00 86 P 0.00 4.47 0.00 2.37 2.13 0.00 3.78 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 2.27 2.26 0.00 87 V 8.40 3.68 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.99 0.00 0.00 88 W 8.28 4.06 0.00 3.44 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 89 D 8.60 4.22 0.00 3.02 3.05 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 0.00 0.00 0.00 90 Q 7.85 4.04 0.00 2.31 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.97 0.00 0.00 0.00 0.00 0.00 2.46 2.79 0.00 91 E 8.42 4.03 0.00 2.13 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.17 2.37 0.00 92 F 8.41 3.80 0.00 1.61 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 93 L 7.89 4.29 0.00 1.64 1.62 1.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 94 K 7.31 4.23 0.00 1.87 1.65 0.00 1.72 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.37 1.51 7.81 95 V 6.92 4.50 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 0.60 0.00 0.00 0.85 0.00 0.00 96 D 8.23 4.58 0.00 2.89 2.78 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 8.82 4.17 0.00 2.16 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.92 0.00 0.00 0.00 0.00 0.00 2.54 2.48 0.00 98 G 8.10 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 99 T 8.35 3.87 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 1.13 0.00 0.00 100 L 7.95 4.00 0.00 1.78 1.90 0.89 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 101 F 8.58 4.04 0.00 3.20 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 0.00 102 E 8.62 4.16 0.00 2.24 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 2.76 2.54 0.00 103 L 8.34 4.00 0.00 1.74 1.65 0.74 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 104 I 7.71 3.31 1.59 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.93 0.73 0.00 0.00 105 L 7.44 3.82 0.00 1.89 1.66 1.11 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 106 A 8.43 4.35 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 0.00 107 A 8.90 3.83 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 0.00 108 N 8.05 4.16 0.00 2.89 2.99 0.00 0.00 6.89 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 0.00 109 Y 8.57 4.21 0.00 2.81 3.23 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 0.00 110 L 8.61 3.74 0.00 1.60 1.56 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 111 D 7.63 4.48 0.00 2.80 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 0.00 112 I 8.09 4.49 1.77 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 1.18 0.62 0.97 0.00 0.00 113 K 8.58 3.85 0.00 1.85 1.85 0.00 1.58 0.00 0.00 1.81 0.00 0.00 3.06 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.53 1.62 7.81 114 G 8.05 3.74 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 0.00 0.00 0.00 115 L 7.23 2.72 0.00 0.27 1.04 0.65 -0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 116 L 7.75 3.81 0.00 1.84 1.55 0.86 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 117 D 7.86 4.25 0.00 2.92 2.82 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 0.00 118 V 7.36 3.75 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 1.19 0.00 0.00 0.89 0.00 0.00 119 T 7.48 3.87 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 1.16 0.00 0.00 120 C 8.01 4.07 0.00 3.09 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 0.00 121 K 8.21 4.13 0.00 1.84 1.88 0.00 1.69 0.00 0.00 1.68 0.00 0.00 2.96 0.00 0.00 3.45 0.00 0.00 0.00 0.00 1.47 1.61 7.81 122 T 7.68 4.02 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 1.24 0.00 0.00 123 V 8.04 3.79 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.78 0.00 0.00 0.92 0.00 0.00 124 A 8.12 4.01 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 0.00 125 N 8.08 4.49 0.00 2.90 2.92 0.00 0.00 7.14 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 0.00 126 M 7.47 4.27 0.00 2.05 2.57 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.03 2.61 0.00 127 I 7.93 3.95 2.11 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 1.20 0.98 0.00 0.00 128 K 7.38 3.82 0.00 1.78 1.79 0.00 1.71 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.50 1.72 7.81 129 G 9.08 4.37 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 K 7.12 4.15 0.00 1.86 1.73 0.00 1.62 0.00 0.00 1.79 0.00 0.00 2.89 0.00 0.00 2.74 0.00 0.00 0.00 0.00 1.42 1.45 7.81 131 T 8.73 4.38 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 1.29 0.00 0.00 132 P 0.00 4.31 0.00 2.21 2.21 0.00 3.60 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.16 0.00 133 E 8.06 3.92 0.00 2.09 1.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.45 0.00 134 E 7.83 4.00 0.00 2.06 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.34 0.00 135 I 7.76 3.74 2.10 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 1.55 1.64 1.13 0.00 0.00 136 R 7.92 3.99 0.00 2.04 2.18 0.00 3.19 0.00 0.00 3.34 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.03 0.00 137 K 8.08 3.74 0.00 1.82 1.75 0.00 1.70 0.00 0.00 1.73 0.00 0.00 3.13 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.47 1.69 7.81 138 T 7.94 3.50 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 1.04 0.00 0.00 139 F 7.70 5.12 0.00 3.08 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 0.00 140 N 7.81 4.16 0.00 2.80 2.80 0.00 0.00 6.90 7.40 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 0.00 141 I 7.49 4.58 1.93 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.18 0.92 0.00 0.00 142 K 8.52 3.96 0.00 1.70 1.68 0.00 1.75 0.00 0.00 1.60 0.00 0.00 2.86 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.39 1.41 7.81 143 N 8.51 4.58 0.00 2.76 2.78 0.00 0.00 7.13 8.47 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 0.00 144 D 8.15 4.44 0.00 2.24 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 0.00 145 F 7.78 4.98 0.00 3.37 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 0.00 146 T 8.91 4.68 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 1.28 0.00 0.00 147 E 8.74 3.97 0.00 2.02 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 2.42 2.40 0.00 148 E 8.10 3.92 0.00 2.04 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.39 0.00 149 E 8.30 4.01 0.00 2.36 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 2.40 2.42 0.00 150 E 7.98 3.59 0.00 1.91 1.84 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 2.00 2.50 0.00 151 A 7.29 3.92 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 0.00 152 Q 7.64 3.84 0.00 2.07 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.69 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 153 V 7.61 4.05 1.79 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 1.10 0.00 0.00 0.64 0.00 0.00 154 R 7.72 3.95 0.00 1.96 2.10 0.00 3.11 0.00 0.00 3.06 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.59 0.00 155 K 8.00 4.05 0.00 1.99 1.94 0.00 1.71 0.00 0.00 1.65 0.00 0.00 2.96 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.47 1.62 7.81 156 E 9.19 4.31 0.00 2.18 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.56 0.00 157 N 7.36 5.10 0.00 2.54 2.59 0.00 0.00 6.99 8.93 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 0.00 158 Q 8.40 4.05 0.00 2.22 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.55 0.00 159 W 8.45 4.42 0.00 3.58 3.30 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 0.00 160 C 6.12 3.54 0.00 1.23 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.