NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 3.9511 8.0544 120.3141 61.1317 33.3949 174.8300 2 H 4.5054 8.0449 120.8195 53.4308 30.0359 171.8967 3 L 4.4361 7.9018 127.7656 53.9162 43.7403 177.4971 4 T 4.0863 8.8721 114.1840 60.7209 70.9802 174.0976 5 P 4.4133 0.0000 0.0000 66.0039 30.9057 178.3679 6 E 3.9000 8.0168 118.8209 59.2068 29.6162 178.4047 7 E 3.9127 8.3447 118.8562 58.9690 29.5096 178.9392 8 K 3.7457 8.5028 120.3635 59.7027 32.3245 178.8566 9 S 4.2441 8.0321 113.1708 60.5215 63.0539 176.2206 10 A 3.9828 7.5239 125.3391 55.0514 18.2120 179.9459 11 V 3.4186 7.9273 111.2215 64.9803 31.4837 178.7365 12 T 3.9866 7.7981 115.1728 66.7310 68.0210 176.4639 13 A 3.9930 7.7605 121.4301 55.1719 18.7336 179.1710 14 L 3.9025 7.9256 118.7964 57.9286 42.1786 178.7499 15 W 4.4455 9.0629 129.0065 60.6870 30.4503 178.0180 16 G 4.1314 8.0349 104.2121 47.0821 0.0000 174.0314 17 K 4.4149 7.9015 118.2770 56.1285 32.6336 176.6507 18 V 3.5865 7.8952 120.9902 61.9352 31.9019 175.0164 19 N 4.3363 8.4401 126.0302 53.1964 38.2468 175.5065 20 V 3.4874 8.2530 127.0386 64.7513 31.6370 177.6376 21 D 4.3687 8.2459 117.9329 55.0763 41.2912 176.2268 22 E 4.3737 7.8085 118.7816 57.0884 31.9564 177.6546 23 V 3.8019 7.3615 119.4954 65.1738 31.2389 178.1974 24 G 3.7134 8.0231 104.8777 47.8740 0.0000 175.6243 25 G 3.6230 8.0351 108.3800 47.2462 0.0000 174.7678 26 E 3.8765 8.1447 121.4029 59.1123 29.5464 178.6982 27 A 4.0089 8.2250 120.6999 55.0850 18.5208 179.2511 28 L 3.9447 8.1474 118.9070 58.2530 42.2283 179.2654 29 G 3.6151 8.6279 105.8985 48.0655 0.0000 175.7351 30 R 3.8740 8.4851 121.2740 58.5746 29.9487 178.7611 31 L 4.0446 8.1718 120.5207 58.4154 41.5960 179.1690 32 L 4.1890 7.8770 120.0391 57.1841 41.2642 179.7685 33 V 3.5172 7.4835 117.4802 65.9028 31.5769 177.9986 34 V 3.6098 7.7025 117.2318 64.0300 32.4958 175.3434 35 Y 4.0392 7.3785 117.0992 53.8885 38.0347 173.9658 36 P 4.4788 0.0000 0.0000 64.3261 31.3944 178.2907 37 W 4.3528 7.9327 116.6402 59.6013 27.9525 178.0232 38 T 4.2779 7.2987 110.8916 64.9669 67.8654 176.0335 39 Q 4.1501 8.1374 120.9181 59.2074 28.5026 179.0008 40 R 3.8169 7.9092 118.6198 59.3798 30.0205 178.0091 41 F 4.1415 8.2169 116.2308 58.6005 39.1392 175.6183 42 F 4.5561 8.2748 118.2929 56.8243 39.9389 176.9744 43 E 4.0209 8.4072 122.9468 59.3382 29.4319 179.1603 44 S 4.5041 8.0236 111.3187 59.9262 63.3492 174.6302 45 F 4.6528 8.5551 119.7804 58.0750 39.6088 176.7264 46 G 3.9301 7.6509 106.3653 44.5640 0.0000 174.8846 47 D 4.3776 8.6890 125.9062 55.0105 40.7911 175.5182 48 L 4.8908 8.2760 125.9318 54.2963 43.1912 178.0819 49 S 4.2493 8.4075 116.9792 61.0786 63.0314 174.3191 50 T 4.7164 7.3937 109.4203 58.3673 73.0993 172.5822 51 P 4.2155 0.0000 0.0000 65.7852 31.1813 178.7558 52 D 4.2727 8.0158 117.0643 57.1375 40.8627 178.1924 53 A 3.9710 7.8800 121.3407 55.2977 18.1249 179.7929 54 V 3.5045 7.6204 115.0598 66.6455 31.7230 177.9814 55 M 4.2718 8.1636 117.0949 57.5744 31.8597 178.0291 56 G 3.9578 7.9644 103.3994 43.4259 0.0000 173.4524 57 N 4.3430 7.5637 121.2866 53.4630 39.5802 173.8978 58 P 4.3010 0.0000 0.0000 65.4650 31.6694 178.8662 59 K 3.8398 8.0379 116.8771 58.9000 31.9266 179.4265 60 V 3.8421 8.7673 119.3436 65.7970 31.5140 178.2885 61 K 3.9878 7.9302 117.7986 59.2126 31.9619 179.2667 62 A 3.9670 7.9916 121.1808 55.4663 18.2697 179.2261 63 H 4.2954 8.2607 116.5885 59.2708 29.9205 177.7170 64 G 3.6314 8.1585 107.8001 47.6047 0.0000 175.6297 65 K 4.0178 7.9788 121.7338 59.2105 32.2506 179.1479 66 K 4.0386 7.8860 118.5043 59.3069 31.9331 179.5204 67 V 3.7279 8.0891 118.7187 65.8917 31.5401 177.6023 68 L 4.3639 8.3121 120.3686 58.3506 41.8949 179.1292 69 G 3.7510 8.3207 105.1921 48.0004 0.0000 175.2596 70 A 4.3139 7.8945 124.6496 54.2184 18.3324 179.6864 71 F 3.9571 8.4979 116.1066 60.8799 39.0087 178.0310 72 S 4.1000 8.9450 115.1176 61.8599 62.6205 176.6055 73 D 4.4484 8.7501 122.0148 56.9080 40.3879 179.1991 74 G 3.6290 7.9731 106.5645 47.7820 0.0000 175.6546 75 L 3.7936 7.7550 121.6956 57.5273 42.0375 178.6103 76 A 4.0845 7.7852 119.7262 54.2328 19.7958 177.8347 77 H 4.8468 8.0787 114.1475 54.5267 30.9191 174.4081 78 L 4.0212 7.8274 120.2012 57.6864 42.1650 179.1417 79 D 4.5447 8.0622 117.2698 56.1955 41.5556 175.8145 80 N 5.1248 8.2576 116.8629 50.9609 37.5354 175.9230 81 L 4.0577 8.1102 120.7039 58.7599 41.8958 178.8459 82 K 3.9602 8.1573 118.0241 59.7770 32.3978 178.3349 83 G 3.6864 8.0641 105.1156 48.1881 0.0000 175.0990 84 T 3.6990 7.7363 118.4492 65.7452 68.8343 175.6570 85 F 4.5992 8.2944 116.8805 57.0396 39.3518 177.3495 86 A 4.0258 7.8853 122.6187 55.8532 18.1657 180.0612 87 T 3.8825 7.8341 107.2378 64.7323 68.8985 176.5474 88 L 4.0248 7.8782 121.4636 57.7041 41.7596 179.1428 89 S 4.1375 8.6859 114.7803 60.7018 62.1983 175.8519 90 E 3.8721 8.0110 121.2686 59.4041 29.2544 179.0524 91 L 3.8917 7.9363 119.9423 58.7322 42.1823 178.8571 92 H 4.1487 8.3657 116.0138 58.8519 28.6511 177.3020 93 C 3.9113 8.0214 118.5531 62.2147 27.9131 175.8762 94 D 4.2844 8.0865 119.9406 57.3800 40.7464 178.1839 95 K 4.0686 7.9505 118.1862 58.3046 32.4301 177.1592 96 L 4.4437 7.9249 116.1936 54.0362 43.1019 175.6786 97 H 4.2497 7.5757 115.2009 56.6533 26.5683 175.4686 98 V 3.9721 7.9976 117.8003 61.1145 32.5577 174.9502 99 D 4.2847 8.7075 127.5708 53.4684 41.8214 175.1743 100 P 2.9700 0.0000 0.0000 65.1234 31.7792 177.8793 101 E 3.8664 8.2601 119.8329 59.3621 29.2642 178.4872 102 N 4.3991 7.9997 116.3735 56.0816 38.4712 177.3244 103 F 4.5738 7.7283 119.5795 60.4615 38.8971 177.6501 104 R 4.0075 8.0040 118.1047 59.2391 29.9269 178.4552 105 L 3.9060 7.7328 118.4586 57.7277 41.5479 179.0993 106 L 4.1546 8.4745 120.8664 58.1077 42.0049 179.1803 107 G 3.7988 8.2691 105.6104 48.2148 0.0000 175.5054 108 N 4.5256 8.4870 119.3375 55.7081 38.5340 177.8394 109 V 3.6744 8.3649 120.4714 65.7107 31.6052 177.8221 110 L 3.8689 8.2088 120.6382 57.9992 41.8750 179.0421 111 V 3.4681 7.7975 118.1556 66.3097 31.4598 177.7805 112 C 4.0808 8.0449 116.3733 62.7835 27.9498 176.3385 113 V 3.5059 7.6646 119.8200 65.8299 31.0338 178.1128 114 L 3.8620 7.7344 118.5510 57.4870 41.2675 179.3628 115 A 3.7234 7.0948 120.5788 55.4150 18.1505 178.9508 116 H 3.8986 8.1571 115.7099 59.7325 29.8302 176.4739 117 H 4.3281 7.6430 116.3884 57.7236 29.2201 176.7904 118 F 4.6085 8.5808 117.8852 57.5571 39.4909 177.1492 119 G 3.8046 8.4278 109.1044 46.0211 0.0000 176.2249 120 K 3.6756 8.9576 120.2966 59.3484 32.1424 177.4754 121 E 4.0923 8.3483 118.5317 58.2589 30.1658 177.0440 122 F 4.6111 8.6003 124.0857 56.9974 38.0078 175.4583 123 T 4.0762 7.3095 115.0092 60.6611 71.2179 173.2266 124 P 4.1406 0.0000 0.0000 65.7653 31.3580 177.2097 125 P 4.3215 0.0000 0.0000 65.2818 31.1963 178.9288 126 V 3.5197 7.2225 116.6934 65.8251 31.3410 177.8113 127 Q 3.5050 7.9283 119.4895 58.9259 28.4697 177.9618 128 A 3.9695 8.3638 121.8324 55.3048 18.4044 179.4564 129 A 3.8964 8.0149 118.9751 55.6437 18.4639 179.5280 130 Y 3.7899 8.3409 115.4127 61.1744 37.9049 178.6966 131 Q 4.2391 8.6321 119.4731 58.9036 28.7436 179.2305 132 K 3.9818 7.8358 119.1191 59.3978 32.0547 179.2546 133 V 3.5151 7.5121 118.0115 66.3409 31.4555 178.1603 134 V 3.8311 8.5633 117.8690 65.9950 31.2715 178.0351 135 A 4.1331 8.3925 120.7806 55.1109 18.2436 179.8118 136 G 3.5805 8.5083 104.7796 47.7899 0.0000 176.1110 137 V 3.0289 8.0562 120.5631 65.6051 31.6582 177.7832 138 A 3.8620 7.8614 120.4396 55.4792 18.3111 179.4070 139 N 4.3641 8.5921 114.9534 56.4273 38.4233 177.5556 140 A 4.1576 7.9033 121.0829 54.4779 18.2214 178.8866 141 L 3.8206 7.5287 118.8008 57.1769 42.1067 177.7982 142 A 4.7286 7.7680 118.4862 52.6687 18.7732 178.3407 143 H 3.7751 7.7071 117.3388 59.2060 29.8960 177.2216 144 K 4.2371 8.3205 115.1985 58.0218 31.7164 177.4988 145 Y 4.6176 7.7712 117.3289 59.9984 38.3709 175.3370 146 H 4.6391 8.0445 121.1153 55.8753 28.9221 174.7540 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 V 8.05 3.95 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 0.91 0.00 0.00 0.95 0.00 0.00 2 H 8.04 4.51 0.00 3.15 3.27 0.00 5.91 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 L 7.90 4.44 0.00 1.54 1.46 0.84 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 4 T 8.87 4.09 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 1.23 0.00 0.00 5 P 0.00 4.41 0.00 2.26 2.34 0.00 3.67 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.02 0.00 6 E 8.02 3.90 0.00 2.00 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 2.36 2.32 0.00 7 E 8.34 3.91 0.00 2.08 1.88 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 2.27 2.26 0.00 8 K 8.50 3.75 0.00 1.78 1.91 0.00 1.56 0.00 0.00 1.65 0.00 0.00 2.91 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.38 1.37 7.81 9 S 8.03 4.24 0.00 4.11 4.16 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 10 A 7.52 3.98 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 11 V 7.93 3.42 1.44 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 0.05 0.00 0.00 0.79 0.00 0.00 12 T 7.80 3.99 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 1.25 0.00 0.00 13 A 7.76 3.99 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 14 L 7.93 3.90 0.00 1.80 2.00 0.01 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.29 0.00 0.00 0.00 0.00 0.00 0.00 15 W 9.06 4.45 0.00 3.67 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 16 G 8.03 4.13 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 0.00 0.00 0.00 17 K 7.90 4.41 0.00 2.14 2.08 0.00 1.76 0.00 0.00 1.68 0.00 0.00 3.16 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.50 1.43 7.81 18 V 7.90 3.59 1.53 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 0.09 0.00 0.00 0.83 0.00 0.00 19 N 8.44 4.34 0.00 2.62 2.53 0.00 0.00 6.96 7.71 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 20 V 8.25 3.49 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.73 0.00 0.00 0.93 0.00 0.00 21 D 8.25 4.37 0.00 2.65 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 22 E 7.81 4.37 0.00 1.77 1.72 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 2.09 2.15 0.00 23 V 7.36 3.80 1.86 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 1.00 0.00 0.00 0.70 0.00 0.00 24 G 8.02 3.71 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 0.00 0.00 0.00 25 G 8.04 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 26 E 8.14 3.88 0.00 2.19 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 2.25 2.28 0.00 27 A 8.22 4.01 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 28 L 8.15 3.94 0.00 1.90 1.61 0.94 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 29 G 8.63 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 30 R 8.49 3.87 0.00 1.99 1.93 0.00 3.06 0.00 0.00 3.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 31 L 8.17 4.04 0.00 1.81 1.88 1.02 0.70 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 L 7.88 4.19 0.00 1.82 1.66 0.79 0.53 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 33 V 7.48 3.52 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 0.70 0.00 0.00 0.93 0.00 0.00 34 V 7.70 3.61 1.56 0.00 0.00 0.00 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 0.71 0.00 0.00 35 Y 7.38 4.04 0.00 2.30 1.43 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 0.00 36 P 0.00 4.48 0.00 2.29 2.29 0.00 3.79 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 2.14 1.88 0.00 37 W 7.93 4.35 0.00 3.66 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 38 T 7.30 4.28 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 1.13 0.00 0.00 39 Q 8.14 4.15 0.00 2.30 2.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.78 0.00 0.00 0.00 0.00 0.00 2.41 2.47 0.00 40 R 7.91 3.82 0.00 1.76 1.89 0.00 3.16 0.00 0.00 2.98 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 1.53 0.00 41 F 8.22 4.14 0.00 2.70 2.33 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 42 F 8.27 4.56 0.00 2.66 1.72 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 43 E 8.41 4.02 0.00 2.02 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 2.48 0.00 44 S 8.02 4.50 0.00 4.13 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 F 8.56 4.65 0.00 3.17 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 46 G 7.65 3.93 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 0.00 0.00 0.00 47 D 8.69 4.38 0.00 2.65 2.65 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 0.00 0.00 0.00 0.00 48 L 8.28 4.89 0.00 1.65 1.61 1.02 1.01 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 49 S 8.41 4.25 0.00 4.01 4.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 T 7.39 4.72 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 1.21 0.00 0.00 51 P 0.00 4.22 0.00 2.15 2.10 0.00 3.58 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 2.08 2.14 0.00 52 D 8.02 4.27 0.00 2.67 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 A 7.88 3.97 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 54 V 7.62 3.50 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.98 0.00 0.00 55 M 8.16 4.27 0.00 1.98 2.08 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.83 0.00 56 G 7.96 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 N 7.56 4.34 0.00 2.95 2.86 0.00 0.00 7.11 7.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 P 0.00 4.30 0.00 2.15 2.04 0.00 3.63 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 2.09 2.15 0.00 59 K 8.04 3.84 0.00 1.87 0.84 0.00 1.59 0.00 0.00 1.49 0.00 0.00 2.77 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.25 1.34 7.81 60 V 8.77 3.84 2.26 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 1.00 0.00 0.00 1.09 0.00 0.00 61 K 7.93 3.99 0.00 1.85 1.81 0.00 1.69 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.69 7.81 62 A 7.99 3.97 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 63 H 8.26 4.30 0.00 3.63 3.56 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 64 G 8.16 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 65 K 7.98 4.02 0.00 1.87 1.99 0.00 1.63 0.00 0.00 1.65 0.00 0.00 3.01 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.66 7.81 66 K 7.89 4.04 0.00 2.03 1.85 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.47 7.81 67 V 8.09 3.73 2.36 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 1.31 0.00 0.00 1.11 0.00 0.00 68 L 8.31 4.36 0.00 2.00 1.96 1.00 0.89 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 69 G 8.32 3.75 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 0.00 0.00 0.00 70 A 7.89 4.31 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 71 F 8.50 3.96 0.00 3.57 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 72 S 8.94 4.10 0.00 4.23 4.14 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 73 D 8.75 4.45 0.00 2.54 2.57 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 74 G 7.97 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 75 L 7.76 3.79 0.00 1.32 1.65 0.69 0.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.00 0.00 0.00 0.00 0.00 0.00 76 A 7.79 4.08 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 77 H 8.08 4.85 0.00 3.10 3.15 0.00 5.64 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 L 7.83 4.02 0.00 1.58 1.72 0.81 1.13 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 79 D 8.06 4.54 0.00 2.67 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 80 N 8.26 5.12 0.00 2.80 2.90 0.00 0.00 6.80 6.65 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 81 L 8.11 4.06 0.00 1.74 1.94 1.08 0.87 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 82 K 8.16 3.96 0.00 1.71 1.82 0.00 1.69 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.34 1.29 7.81 83 G 8.06 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 84 T 7.74 3.70 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 0.51 0.00 0.00 85 F 8.29 4.60 0.00 3.08 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 7.89 4.03 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 87 T 7.83 3.88 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 1.19 0.00 0.00 88 L 7.88 4.02 0.00 2.01 1.84 1.11 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 89 S 8.69 4.14 0.00 3.95 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 90 E 8.01 3.87 0.00 2.22 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 2.45 2.30 0.00 91 L 7.94 3.89 0.00 1.74 1.78 0.90 0.93 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 92 H 8.37 4.15 0.00 3.25 3.52 0.00 5.85 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 93 C 8.02 3.91 0.00 2.63 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 0.00 0.00 0.00 94 D 8.09 4.28 0.00 2.70 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 95 K 7.95 4.07 0.00 1.69 1.96 0.00 1.75 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.40 1.45 7.81 96 L 7.92 4.44 0.00 1.84 1.75 0.77 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 97 H 7.58 4.25 0.00 3.49 3.47 0.00 5.64 0.00 0.00 0.00 0.00 8.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 V 8.00 3.97 2.15 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 0.41 0.00 0.00 0.33 0.00 0.00 99 D 8.71 4.28 0.00 2.74 2.45 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 0.00 100 P 0.00 2.97 0.00 2.21 2.44 0.00 3.34 0.00 0.00 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.61 0.00 101 E 8.26 3.87 0.00 2.02 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 2.25 2.37 0.00 102 N 8.00 4.40 0.00 2.71 2.87 0.00 0.00 6.94 8.26 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 0.00 103 F 7.73 4.57 0.00 3.14 2.88 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 0.00 104 R 8.00 4.01 0.00 1.92 2.15 0.00 3.48 0.00 0.00 3.36 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.76 0.00 105 L 7.73 3.91 0.00 1.75 1.23 0.32 -0.02 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 0.00 106 L 8.47 4.15 0.00 1.86 1.85 1.00 1.12 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 0.00 107 G 8.27 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 N 8.49 4.53 0.00 2.94 2.97 0.00 0.00 6.73 7.19 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 0.00 109 V 8.36 3.67 2.38 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 1.06 0.00 0.00 1.18 0.00 0.00 110 L 8.21 3.87 0.00 1.69 1.86 0.83 -0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.80 3.47 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 1.23 0.00 0.00 1.15 0.00 0.00 112 C 8.04 4.08 0.00 3.20 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 0.00 113 V 7.66 3.51 2.14 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 0.97 0.00 0.00 0.91 0.00 0.00 114 L 7.73 3.86 0.00 0.95 1.09 0.40 0.91 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 0.00 115 A 7.09 3.72 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 0.00 116 H 8.16 3.90 0.00 3.09 3.32 0.00 5.75 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 H 7.64 4.33 0.00 2.76 2.77 0.00 5.70 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 118 F 8.58 4.61 0.00 3.23 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 0.00 119 G 8.43 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 120 K 8.96 3.68 0.00 1.80 1.97 0.00 1.79 0.00 0.00 1.66 0.00 0.00 2.99 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.49 1.43 7.81 121 E 8.35 4.09 0.00 2.08 2.30 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 2.36 2.30 0.00 122 F 8.60 4.61 0.00 3.06 3.09 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 0.00 123 T 7.31 4.08 4.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.00 0.00 124 P 0.00 4.14 0.00 2.14 2.14 0.00 3.56 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 2.11 2.19 0.00 125 P 0.00 4.32 0.00 2.10 2.05 0.00 3.46 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 2.07 2.10 0.00 126 V 7.22 3.52 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 1.07 0.00 0.00 0.89 0.00 0.00 127 Q 7.93 3.51 0.00 1.50 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.53 0.00 0.00 0.00 0.00 0.00 2.45 2.66 0.00 128 A 8.36 3.97 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 0.00 129 A 8.01 3.90 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 0.00 130 Y 8.34 3.79 0.00 3.36 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 0.00 131 Q 8.63 4.24 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.82 0.00 0.00 0.00 0.00 0.00 2.78 2.63 0.00 132 K 7.84 3.98 0.00 1.94 1.83 0.00 1.64 0.00 0.00 1.55 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.46 1.44 7.81 133 V 7.51 3.52 2.20 0.00 0.00 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 0.69 0.00 0.00 134 V 8.56 3.83 2.45 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 1.10 0.00 0.00 1.22 0.00 0.00 135 A 8.39 4.13 1.43 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 0.00 0.00 0.00 136 G 8.51 3.58 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 0.00 0.00 0.00 137 V 8.06 3.03 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 -0.12 0.00 0.00 0.74 0.00 0.00 138 A 7.86 3.86 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 0.00 139 N 8.59 4.36 0.00 2.87 2.91 0.00 0.00 6.93 7.09 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 0.00 140 A 7.90 4.16 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 0.00 141 L 7.53 3.82 0.00 1.20 0.77 0.53 -0.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 142 A 7.77 4.73 1.69 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 0.00 143 H 7.71 3.78 0.00 3.36 3.30 0.00 5.60 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 144 K 8.32 4.24 0.00 1.58 1.76 0.00 1.66 0.00 0.00 1.76 0.00 0.00 3.19 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.50 1.45 7.81 145 Y 7.77 4.62 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 0.00 146 H 8.04 4.64 0.00 3.11 3.19 0.00 5.70 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