NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4344 8.3349 115.4124 57.5187 63.1468 173.2889 2 K 3.9347 8.3712 126.3261 56.4259 32.5065 175.4549 3 T 4.3854 8.3802 113.7752 61.9945 70.4180 173.9794 4 N 4.5656 7.9716 120.4081 52.6904 40.0612 173.5331 5 P 4.2939 0.0000 0.0000 65.5025 31.4621 178.9568 6 R 3.8673 8.6503 117.4404 59.2549 30.0740 178.5877 7 L 3.9349 8.2181 119.8056 58.3051 41.9360 179.0085 8 S 4.1163 8.1521 113.9797 61.9600 62.8849 176.2409 9 S 4.0427 8.2443 118.9613 60.6703 62.4468 176.2192 10 L 3.7824 8.3912 123.0082 58.5212 41.7663 179.4941 11 I 3.7169 7.4601 117.7230 64.4401 37.5085 177.8784 12 A 4.1389 7.8741 121.4222 55.2074 18.2703 179.3985 13 D 4.2265 8.5339 117.5326 57.6711 40.5770 178.9325 14 L 3.9319 8.6205 120.2675 57.8078 41.5462 179.2858 15 K 4.1894 8.0526 118.5641 58.5366 31.9390 179.1158 16 S 3.9812 7.6986 112.3476 62.1896 62.8392 175.6432 17 A 4.1173 8.1682 122.1442 55.0596 17.6953 178.9776 18 A 4.6792 7.9481 120.2154 54.6231 18.8060 180.0194 19 R 4.1154 8.2939 115.7630 60.0917 30.5563 178.6950 20 S 4.1852 9.0720 115.1267 61.0985 62.9569 176.4736 21 S 4.4682 8.3455 116.7792 58.1125 63.7999 175.3947 22 G 3.8403 8.6016 107.7981 45.9866 0.0000 173.9982 23 G 3.7112 7.7376 109.6695 46.3138 0.0000 174.0650 24 A 4.5943 8.4049 125.7977 52.1323 21.2970 178.2028 25 V 3.7867 7.3640 108.8643 63.3664 32.3381 177.8941 26 W 5.1044 7.7369 118.3460 60.4348 28.6843 178.6127 27 G 3.7703 8.1613 103.1801 47.0627 0.0000 175.1277 28 D 4.4329 7.4408 117.6800 57.2599 41.3735 178.0661 29 V 3.5897 8.7092 119.7241 66.2275 31.5103 177.5114 30 A 4.0390 8.0329 120.1929 55.6609 17.9409 179.5375 31 E 4.2027 7.8802 115.1109 59.1339 29.7684 179.0836 32 R 4.1648 8.3646 119.3596 58.9554 30.0625 178.3979 33 L 3.8295 7.7805 117.5727 57.5032 41.8289 178.6600 34 E 4.1503 8.5965 117.5574 57.2958 29.5314 177.2197 35 K 4.4719 7.0892 118.2562 53.8250 34.0110 174.3419 36 P 4.2290 0.0000 0.0000 62.8682 32.1862 178.0574 37 R 3.6298 8.4614 119.9607 58.9924 30.2236 179.2667 38 R 4.0522 7.8909 113.3468 58.3007 29.6668 177.3329 39 T 4.2659 7.4402 107.8573 62.8424 69.6540 175.0728 40 H 4.3683 7.5988 118.4314 55.6589 29.4532 174.5467 41 A 4.3417 8.4178 123.5290 51.8892 19.8773 176.8267 42 E 4.9113 8.7772 120.2352 54.6321 31.9728 175.0808 43 V 4.5009 8.4383 117.3643 59.4607 35.4627 175.7108 44 N 5.0653 8.5237 121.7031 51.8462 40.7927 176.1681 45 L 4.1033 8.5991 119.0953 57.8985 40.7163 179.9039 46 G 3.7711 8.1260 107.8028 48.9752 0.0000 174.8871 47 R 3.4697 7.6881 116.4420 57.0367 29.9744 177.7206 48 I 3.9350 7.8616 119.5022 64.3830 37.8039 177.2829 49 E 3.8726 8.1943 117.8356 58.7556 29.2831 177.3886 50 R 4.1328 7.0911 117.1125 57.6643 30.5878 176.2027 51 Y 4.9444 7.1922 112.2353 57.4389 39.3781 175.2316 52 A 4.7228 8.1501 123.7548 50.4998 20.5199 176.5580 53 Q 4.6787 8.1481 118.1235 53.7305 31.1311 175.5744 54 E 3.9473 8.8160 120.3540 58.0068 30.3213 176.1787 55 D 4.3289 8.5469 117.6108 54.8627 38.0301 175.5028 56 E 4.8638 7.9074 115.0553 56.1062 31.4768 174.4062 57 T 4.0914 8.1917 121.6990 63.7910 69.8696 172.5243 58 V 4.6149 9.0234 126.0416 61.4567 33.4954 174.3606 59 V 4.7311 9.0785 129.0150 61.2605 33.3389 174.4239 60 V 4.6239 9.1214 128.4590 60.1664 33.6673 173.7276 61 P 4.8216 0.0000 0.0000 58.8837 29.3619 176.2967 62 G 4.2029 6.7819 118.8037 47.0952 0.0000 169.8129 63 K 4.8987 8.6552 125.7543 54.3377 36.0080 174.8272 64 V 4.7742 8.4730 125.3330 61.5227 33.6939 175.1990 65 L 4.8705 9.0622 129.9681 52.6879 44.3805 175.6989 66 G 4.3000 8.1032 102.1825 46.3132 0.0000 172.8452 67 S 4.6952 8.2708 114.5928 57.7930 65.8606 177.0702 68 G 4.1998 8.5714 112.2652 45.0058 0.0000 172.8726 69 V 4.3582 7.9416 117.4536 60.8132 33.4483 174.4128 70 L 4.8454 8.2042 125.1645 53.4334 44.8006 175.9140 71 Q 4.3967 8.8583 122.1365 56.9600 31.5106 176.7336 72 K 3.8137 8.4867 116.8238 57.1239 32.9518 177.6462 73 D 5.4370 8.6361 123.9884 53.2412 39.7923 174.8750 74 V 4.5364 7.2992 115.4471 60.0229 35.4758 176.0936 75 T 4.9400 8.3332 119.4560 62.3180 70.3854 173.7032 76 V 4.8630 8.7726 127.1145 61.2640 34.0105 174.2263 77 A 5.6181 10.2249 129.2989 49.4334 21.7005 175.1206 78 A 4.8305 8.2995 122.4993 50.4301 22.7670 176.7928 79 V 3.5242 8.3087 118.7489 66.0001 32.1067 175.5533 80 D 4.4178 6.9189 116.7208 53.6169 44.3305 174.6116 81 F 5.5323 8.8044 120.2855 55.4419 43.1206 175.0195 82 S 4.3067 9.0308 116.9947 58.0872 63.8477 175.2540 83 G 3.9513 9.0894 109.3100 48.7144 0.0000 175.7616 84 T 4.0120 7.9187 117.2367 66.6242 68.4717 175.8005 85 A 3.9481 8.0564 122.2124 55.7736 17.9603 179.0264 86 E 3.6192 8.6905 116.7178 58.9325 29.7708 179.5260 87 T 4.0400 7.4076 115.6330 66.2762 68.8504 176.9733 88 K 4.0574 8.2693 118.6291 58.7481 32.2496 178.5403 89 I 4.0638 7.5157 120.2458 63.3829 37.3807 177.4466 90 D 4.7993 7.5077 117.9667 56.5192 41.2524 178.9011 91 Q 4.0792 8.2013 117.2239 58.8912 28.8646 177.6304 92 V 4.2944 7.5055 108.4903 61.3026 33.5292 175.0045 93 G 4.3302 7.8032 112.4792 45.2929 0.0000 174.8777 94 E 5.0373 9.3171 126.3339 54.3752 33.2538 172.7484 95 A 4.7300 8.8667 129.2035 50.3543 20.2317 176.1662 96 V 4.6036 8.9608 123.0490 60.9188 35.3685 175.0764 97 S 4.6040 8.5611 119.9787 57.7386 64.0591 174.8788 98 L 4.0580 8.7626 125.0455 57.1404 41.4863 178.5655 99 E 4.1207 7.7710 117.0962 59.2008 30.1028 178.2833 100 Q 4.0261 8.2010 118.0111 59.0254 28.8445 178.0012 101 A 3.9657 7.9650 121.0131 55.6705 18.1217 179.1839 102 I 2.7326 6.5217 115.2890 64.5953 37.2763 177.9699 103 E 4.0307 8.1619 118.8108 58.9051 29.5033 177.9499 104 N 4.6728 7.9411 115.0303 54.3591 40.4046 174.8480 105 N 5.1641 8.7323 119.0210 51.3773 39.0581 173.2771 106 P 4.5460 0.0000 0.0000 65.3810 31.8839 177.6733 107 E 4.1191 8.4991 117.2285 56.4610 30.3032 176.1154 108 G 3.3587 8.5329 108.2002 46.2436 0.0000 173.0931 109 S 4.5096 8.3188 111.1251 57.2025 66.1759 173.8195 110 H 4.0190 8.2899 116.3058 56.8618 26.0501 175.1546 111 V 4.5844 7.1369 116.0332 60.0309 34.3470 176.8001 112 R 4.3365 9.0741 126.0520 55.5334 32.0322 175.1331 113 V 4.8818 8.2389 122.5672 61.3532 33.5452 174.5017 114 I 4.8006 8.3508 129.1339 59.5836 39.8528 176.3274 115 R 4.1771 8.3708 120.8881 56.7875 28.9188 174.7097 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 S 8.33 4.43 0.00 3.99 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 2 K 8.37 3.93 0.00 1.85 1.80 0.00 1.72 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.35 0.00 0.00 0.00 0.00 1.45 1.45 7.81 3 T 8.38 4.39 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 1.21 0.00 0.00 4 N 7.97 4.57 0.00 2.80 2.68 0.00 0.00 7.24 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 5 P 0.00 4.29 0.00 2.19 2.07 0.00 3.65 0.00 0.00 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 2.17 0.00 6 R 8.65 3.87 0.00 1.87 1.96 0.00 3.14 0.00 0.00 3.09 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00 7 L 8.22 3.93 0.00 1.75 1.83 0.92 0.91 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 8 S 8.15 4.12 0.00 4.10 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 0.00 9 S 8.24 4.04 0.00 4.03 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 10 L 8.39 3.78 0.00 1.68 1.80 0.82 1.01 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 11 I 7.46 3.72 2.12 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 1.45 0.72 0.92 0.00 0.00 12 A 7.87 4.14 1.37 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 13 D 8.53 4.23 0.00 2.75 2.63 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 14 L 8.62 3.93 0.00 1.85 1.95 0.94 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.05 4.19 0.00 2.05 1.81 0.00 1.71 0.00 0.00 1.58 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.71 7.81 16 S 7.70 3.98 0.00 3.88 3.97 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 17 A 8.17 4.12 1.37 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 18 A 7.95 4.68 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 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.29 4.12 0.00 1.92 2.01 0.00 3.19 0.00 0.00 3.24 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.81 0.00 20 S 9.07 4.19 0.00 3.76 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 21 S 8.35 4.47 0.00 4.19 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 22 G 8.60 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 23 G 7.74 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 24 A 8.40 4.59 1.20 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 0.00 0.00 0.00 0.00 0.00 0.00 25 V 7.36 3.79 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 0.73 0.00 0.00 -0.04 0.00 0.00 26 W 7.74 5.10 0.00 3.34 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 27 G 8.16 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 28 D 7.44 4.43 0.00 2.97 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 V 8.71 3.59 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 0.97 0.00 0.00 1.13 0.00 0.00 30 A 8.03 4.04 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 31 E 7.88 4.20 0.00 2.24 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 2.36 2.48 0.00 32 R 8.36 4.16 0.00 1.88 2.10 0.00 3.18 0.00 0.00 3.24 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 33 L 7.78 3.83 0.00 1.64 1.68 0.88 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 34 E 8.60 4.15 0.00 2.17 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 2.36 2.45 0.00 35 K 7.09 4.47 0.00 2.08 1.76 0.00 1.77 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.44 1.61 7.81 36 P 0.00 4.23 0.00 2.14 1.98 0.00 3.60 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.14 0.00 37 R 8.46 3.63 0.00 1.81 1.91 0.00 3.10 0.00 0.00 3.36 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.54 0.00 38 R 7.89 4.05 0.00 1.90 2.05 0.00 3.01 0.00 0.00 3.27 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.60 0.00 39 T 7.44 4.27 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 1.21 0.00 0.00 40 H 7.60 4.37 0.00 3.34 3.25 0.00 5.67 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.42 4.34 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 42 E 8.78 4.91 0.00 1.81 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 2.20 2.31 0.00 43 V 8.44 4.50 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 0.85 0.00 0.00 0.94 0.00 0.00 44 N 8.52 5.07 0.00 2.64 3.00 0.00 0.00 7.14 6.74 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 45 L 8.60 4.10 0.00 2.03 1.72 0.98 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 46 G 8.13 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 R 7.69 3.47 0.00 1.91 1.90 0.00 3.11 0.00 0.00 3.38 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.59 0.00 48 I 7.86 3.94 2.01 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 1.45 0.64 0.95 0.00 0.00 49 E 8.19 3.87 0.00 1.99 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 2.28 2.43 0.00 50 R 7.09 4.13 0.00 1.61 1.30 0.00 2.21 0.00 0.00 2.98 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 1.39 0.00 51 Y 7.19 4.94 0.00 3.15 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 52 A 8.15 4.72 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 53 Q 8.15 4.68 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.75 0.00 0.00 0.00 0.00 0.00 2.49 2.30 0.00 54 E 8.82 3.95 0.00 1.98 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 2.49 2.37 0.00 55 D 8.55 4.33 0.00 2.81 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 56 E 7.91 4.86 0.00 1.94 2.11 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 2.16 2.14 0.00 57 T 8.19 4.09 4.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 58 V 9.02 4.61 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 0.99 0.00 0.00 1.04 0.00 0.00 59 V 9.08 4.73 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 1.04 0.00 0.00 1.21 0.00 0.00 60 V 9.12 4.62 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 0.99 0.00 0.00 0.96 0.00 0.00 61 P 0.00 4.82 0.00 2.13 2.21 0.00 4.05 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.98 0.00 62 G 6.78 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 K 8.66 4.90 0.00 1.71 1.57 0.00 1.62 0.00 0.00 1.56 0.00 0.00 3.04 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.27 1.30 7.81 64 V 8.47 4.77 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 1.09 0.00 0.00 0.81 0.00 0.00 65 L 9.06 4.87 0.00 1.82 1.60 0.93 0.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 66 G 8.10 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 0.00 0.00 0.00 0.00 67 S 8.27 4.70 0.00 3.97 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 8.57 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 V 7.94 4.36 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 0.82 0.00 0.00 0.92 0.00 0.00 70 L 8.20 4.85 0.00 1.57 1.47 0.99 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 71 Q 8.86 4.40 0.00 2.20 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.51 0.00 0.00 0.00 0.00 0.00 2.27 2.31 0.00 72 K 8.49 3.81 0.00 1.74 1.79 0.00 1.70 0.00 0.00 1.75 0.00 0.00 2.85 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.49 1.81 7.81 73 D 8.64 5.44 0.00 2.78 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 74 V 7.30 4.54 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 0.84 0.00 0.00 1.02 0.00 0.00 75 T 8.33 4.94 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 1.27 0.00 0.00 76 V 8.77 4.86 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 1.03 0.00 0.00 1.01 0.00 0.00 77 A 10.22 5.62 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 78 A 8.30 4.83 0.64 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 0.00 0.00 79 V 8.31 3.52 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 0.68 0.00 0.00 0.88 0.00 0.00 80 D 6.92 4.42 0.00 2.73 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 81 F 8.80 5.53 0.00 2.84 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 82 S 9.03 4.31 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 83 G 9.09 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 0.00 0.00 0.00 84 T 7.92 4.01 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 85 A 8.06 3.95 1.57 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 0.00 0.00 86 E 8.69 3.62 0.00 1.95 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 2.15 1.96 0.00 87 T 7.41 4.04 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 88 K 8.27 4.06 0.00 1.68 1.88 0.00 1.70 0.00 0.00 1.71 0.00 0.00 3.05 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.67 7.81 89 I 7.52 4.06 1.92 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 1.54 0.89 0.85 0.00 0.00 90 D 7.51 4.80 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 91 Q 8.20 4.08 0.00 2.03 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.85 0.00 0.00 0.00 0.00 0.00 2.35 2.47 0.00 92 V 7.51 4.29 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.98 0.00 0.00 93 G 7.80 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 0.00 0.00 0.00 0.00 94 E 9.32 5.04 0.00 2.02 1.73 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 2.18 2.22 0.00 95 A 8.87 4.73 0.63 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 96 V 8.96 4.60 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 1.09 0.00 0.00 0.95 0.00 0.00 97 S 8.56 4.60 0.00 4.10 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 98 L 8.76 4.06 0.00 1.88 1.63 1.02 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 99 E 7.77 4.12 0.00 1.94 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 100 Q 8.20 4.03 0.00 2.21 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.64 0.00 0.00 0.00 0.00 0.00 2.37 2.37 0.00 101 A 7.97 3.97 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 0.00 102 I 6.52 2.73 1.67 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.16 -0.07 0.59 0.00 0.00 103 E 8.16 4.03 0.00 1.87 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 2.31 2.32 0.00 104 N 7.94 4.67 0.00 2.88 2.90 0.00 0.00 6.58 8.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 8.73 5.16 0.00 2.85 2.96 0.00 0.00 6.79 7.26 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 0.00 106 P 0.00 4.55 0.00 2.31 2.25 0.00 3.91 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 2.06 0.00 107 E 8.50 4.12 0.00 2.13 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.38 0.00 108 G 8.53 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 0.00 0.00 0.00 109 S 8.32 4.51 0.00 3.89 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 0.00 110 H 8.29 4.02 0.00 3.30 3.32 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 7.14 4.58 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 0.38 0.00 0.00 0.91 0.00 0.00 112 R 9.07 4.34 0.00 2.29 1.85 0.00 3.05 0.00 0.00 3.07 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.63 0.00 113 V 8.24 4.88 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.88 0.00 0.00 0.89 0.00 0.00 114 I 8.35 4.80 1.93 0.00 0.00 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 1.15 1.02 0.00 0.00 115 R 8.37 4.18 0.00 1.89 1.85 0.00 3.07 0.00 0.00 3.27 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00