NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3881 8.3044 120.3455 55.0702 32.9490 174.8764 2 K 4.3227 8.8354 129.7888 55.7315 32.9579 173.9407 3 R 4.9788 9.5440 128.5898 55.1165 32.2160 175.6407 4 V 4.9026 9.2388 124.1076 61.3147 34.5631 174.1497 5 I 5.4390 8.4314 124.6106 58.9882 42.1479 173.5826 6 T 4.7447 7.7075 118.5826 61.6208 70.9922 171.8728 7 Y 4.9052 9.4095 124.2208 55.4597 41.7800 175.0635 8 G 4.5092 7.5351 110.7576 45.8832 0.0000 173.8037 9 T 3.9986 8.1395 115.6620 65.1280 69.4949 175.3307 10 Y 3.4312 7.3309 115.6555 58.9835 34.9562 168.9633 11 D 4.4843 7.4737 118.5950 55.5577 41.9380 177.0846 12 L 4.6492 7.9714 121.3647 52.4129 41.0279 175.7061 13 L 3.6044 7.8923 119.7178 55.3386 42.7295 176.7494 14 H 5.0985 8.2444 116.8611 53.0971 31.5583 173.9733 15 Y 4.4832 8.9265 122.0399 60.6417 38.6120 179.0082 16 G 3.7617 8.6035 106.4053 48.4238 0.0000 175.2309 17 H 4.2557 8.7962 119.1152 58.5890 28.6557 177.8598 18 I 3.6337 7.6261 121.1430 64.3519 36.8918 177.8911 19 E 3.7101 7.7250 120.0776 58.9090 29.3771 178.5024 20 L 3.9230 7.6659 119.8359 58.2191 42.2244 178.8092 21 L 3.9164 8.1246 119.0414 57.8385 41.5435 179.5447 22 R 3.1942 8.0940 118.6136 59.3347 29.7094 178.6503 23 R 3.9535 7.6688 116.1109 59.1356 30.2451 178.6247 24 A 4.0553 8.2423 120.7808 55.3539 18.5522 179.6560 25 R 3.7478 8.4087 117.2905 59.5078 29.8185 178.2040 26 E 3.9880 8.0075 118.2842 58.7963 29.6207 177.6416 27 M 4.5214 7.9200 116.9322 57.3618 32.7094 176.3383 28 G 3.9795 8.0975 108.0096 45.3038 0.0000 172.7800 29 D 5.0158 8.9543 120.3321 54.1904 42.8576 175.9811 30 Y 4.8052 7.7624 120.1221 56.3550 42.6331 172.5854 31 L 5.0477 9.6719 129.8546 53.3051 44.9138 174.7921 32 I 4.7546 8.8244 127.1435 59.4397 40.1158 174.6593 33 V 4.3740 8.5459 125.9369 61.0097 34.0971 174.3678 34 A 4.5126 8.4829 131.2074 50.3747 19.0150 175.0335 35 L 4.4304 8.8589 124.5808 55.3601 43.4170 176.3256 36 S 5.0235 8.9666 123.9527 58.9976 63.4002 174.6711 37 T 4.2779 8.8550 115.4599 61.4774 69.8558 175.4352 38 D 4.5574 8.7868 121.4185 57.2090 40.7793 178.9521 39 E 3.9570 8.0896 118.8723 59.5648 29.6657 179.0347 40 F 4.3409 8.5472 120.8573 61.0845 39.2448 176.4990 41 N 4.0528 8.6503 117.4421 56.5755 38.5300 176.6326 42 Q 4.4659 7.9235 122.0795 58.9132 29.0150 177.8970 43 I 3.7700 7.4694 119.4084 64.6357 37.2900 177.8151 44 K 4.2674 7.8610 115.3226 56.2886 32.6717 176.4029 45 H 4.0566 9.2781 116.2614 56.3615 26.3840 174.3105 46 K 4.7381 7.8517 117.5504 55.1581 36.7599 176.2526 47 K 4.5817 8.1243 121.3072 53.3612 32.1194 175.2598 48 S 4.3342 8.2955 115.8846 58.2821 63.7094 175.3002 49 Y 4.0148 10.3746 125.0670 60.3289 38.7585 175.5740 50 Y 4.8082 8.6727 116.9067 56.3352 39.6452 175.9699 51 D 4.9286 9.5724 124.5939 52.8676 41.8327 176.8687 52 Y 4.1071 10.0517 122.7904 61.2392 38.6705 178.4574 53 E 3.8917 8.5202 118.4988 59.8121 29.6570 179.4163 54 Q 3.9313 9.3466 118.5924 59.0975 28.7876 179.2204 55 R 3.8181 8.2390 119.3839 58.8245 29.9416 179.0956 56 K 3.5959 8.0666 119.8276 59.5578 31.9663 178.4124 57 M 3.8574 7.8839 117.5036 58.8356 32.4849 177.5975 58 M 4.0253 7.7825 118.0658 58.5002 32.4494 177.9999 59 L 3.7712 7.6393 119.0366 58.0564 41.6232 179.4726 60 E 4.0538 8.0288 117.1758 59.1515 29.4196 178.9891 61 S 4.3178 7.4884 111.8381 58.5405 63.6688 174.1542 62 I 3.8786 7.5717 126.0060 60.4512 37.5062 176.7412 63 R 3.6557 8.2974 125.0678 59.5924 29.8916 177.2271 64 Y 4.3865 6.8335 112.5392 59.0107 38.4151 175.3470 65 V 3.8503 7.6394 121.0652 61.9645 31.8029 175.0205 66 D 4.4354 8.1356 127.5470 55.7817 41.9548 176.8430 67 L 4.2666 7.0134 117.3634 53.8519 45.5281 173.5358 68 V 4.8111 8.3413 125.3958 60.9462 33.7719 174.4380 69 I 4.7627 8.5473 121.3320 58.1000 41.0719 172.7584 70 P 5.0037 0.0000 0.0000 62.7968 32.4830 175.3454 71 E 4.4988 9.7159 126.4255 55.0273 29.7892 176.1712 72 K 4.2060 9.4240 127.2641 56.9428 32.9033 176.7354 73 G 3.5576 6.7825 105.4400 44.3022 0.0000 173.4882 74 W 4.3461 8.7978 119.1178 58.9869 29.4534 177.7833 75 G 4.2439 7.9971 107.6367 45.7385 0.0000 174.1764 76 Q 4.6140 7.7621 116.4335 55.8975 30.4830 176.1216 77 K 4.3961 8.1573 121.8074 59.1280 31.8733 177.9867 78 E 3.9867 8.3981 117.5842 59.9140 29.5952 179.2351 79 D 4.3415 8.1517 116.9661 57.4191 41.4337 177.4857 80 D 4.6110 8.8846 120.2801 57.7473 40.9076 178.8165 81 V 3.7005 8.3727 118.8732 66.3433 31.3838 177.7628 82 E 3.8948 8.0471 118.4791 59.2901 29.4112 178.4355 83 K 3.7517 8.3590 118.5015 58.7455 32.1028 177.6529 84 F 4.6375 8.4009 115.2756 55.7063 40.2090 175.0919 85 D 4.3094 7.8824 116.7307 55.1487 39.8500 174.2653 86 V 3.9204 8.2328 118.2401 63.0569 32.7763 174.7919 87 D 4.7335 9.4067 127.1222 55.5566 42.7466 176.7074 88 V 4.8169 7.7057 117.4347 60.8517 35.0603 174.0079 89 F 5.0169 9.9189 131.1918 56.5406 41.1949 174.1527 90 V 4.8853 8.3226 126.5606 61.5348 34.4574 174.1600 91 M 4.7584 8.7120 125.0576 53.5957 37.4326 174.8088 92 G 4.2790 8.9037 109.2973 45.5647 0.0000 174.2607 93 H 4.4529 10.1084 119.7821 58.7723 29.8829 176.8638 94 D 4.6414 8.2869 114.8553 54.9058 40.3466 176.3513 95 W 4.4726 8.0734 118.0887 55.6730 30.6099 174.8204 96 E 2.0000 7.6540 119.3679 56.9945 29.1696 176.7011 97 G 4.6392 7.3946 115.0197 45.3695 0.0000 174.9269 98 E 3.8078 8.0901 119.6609 58.3660 29.8087 177.2111 99 F 5.0958 9.2461 116.6551 57.2255 40.5998 176.3940 100 D 4.4802 8.2180 124.3265 57.2472 40.6916 178.8560 101 F 4.5031 8.3244 112.7428 58.9773 37.9796 176.4655 102 L 4.0339 7.2371 121.0930 55.8512 41.2518 178.4440 103 K 3.9262 8.2074 120.4762 58.6077 32.0747 177.8155 104 D 4.5872 8.0092 116.3741 54.4921 39.9246 176.7955 105 K 4.3935 8.2557 119.4660 57.4689 33.6870 175.0650 106 C 4.6525 7.2417 111.6283 57.1102 33.0364 172.4652 107 E 4.3916 8.9674 120.8938 56.1070 30.0399 175.3304 108 V 4.9430 8.3511 127.4006 61.5345 33.2288 174.9030 109 I 4.5913 9.1581 128.3166 59.7431 41.0651 173.7598 110 Y 5.1034 8.6197 124.5926 56.1706 39.3284 175.7944 111 L 3.9987 9.1302 125.5602 55.5568 42.9001 177.1524 112 K 4.1544 8.8434 120.0615 58.7673 32.8107 178.8721 113 R 4.2653 8.2272 121.8820 55.5641 30.0760 178.0761 114 T 4.5496 7.3757 105.9414 61.3332 68.2680 174.1678 115 E 4.1213 7.7524 125.0207 57.0389 29.1931 177.8388 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 M 8.30 4.39 0.00 1.90 2.03 0.00 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 2 K 8.84 4.32 0.00 1.89 1.73 0.00 1.68 0.00 0.00 1.87 0.00 0.00 2.88 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.45 1.50 7.81 3 R 9.54 4.98 0.00 1.96 1.91 0.00 3.35 0.00 0.00 2.91 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.59 0.00 4 V 9.24 4.90 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 0.90 0.00 0.00 1.00 0.00 0.00 5 I 8.43 5.44 1.83 0.00 0.00 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.71 0.94 0.97 0.00 0.00 6 T 7.71 4.74 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 1.10 0.00 0.00 7 Y 9.41 4.91 0.00 2.65 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8 G 7.54 4.51 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 0.00 0.00 0.00 9 T 8.14 4.00 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 1.33 0.00 0.00 10 Y 7.33 3.43 0.00 3.08 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 11 D 7.47 4.48 0.00 2.71 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 12 L 7.97 4.65 0.00 1.69 1.67 0.92 0.76 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 13 L 7.89 3.60 0.00 1.61 1.62 0.88 1.17 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 14 H 8.24 5.10 0.00 3.37 3.46 0.00 5.69 0.00 0.00 0.00 0.00 6.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 Y 8.93 4.48 0.00 3.19 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 G 8.60 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 17 H 8.80 4.26 0.00 3.26 3.72 0.00 5.83 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 I 7.63 3.63 1.09 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 1.49 1.07 1.06 0.00 0.00 19 E 7.73 3.71 0.00 1.90 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 2.35 0.00 20 L 7.67 3.92 0.00 1.80 1.85 0.99 0.61 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 21 L 8.12 3.92 0.00 1.89 1.70 0.68 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 22 R 8.09 3.19 0.00 1.44 1.75 0.00 2.86 0.00 0.00 2.98 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.50 0.00 23 R 7.67 3.95 0.00 2.02 1.95 0.00 3.22 0.00 0.00 3.22 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.86 0.00 24 A 8.24 4.06 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 R 8.41 3.75 0.00 1.92 1.88 0.00 3.19 0.00 0.00 3.22 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 26 E 8.01 3.99 0.00 2.12 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 2.26 2.23 0.00 27 M 7.92 4.52 0.00 2.01 2.15 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.91 2.53 0.00 28 G 8.10 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 D 8.95 5.02 0.00 2.54 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 30 Y 7.76 4.81 0.00 2.97 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 31 L 9.67 5.05 0.00 1.63 1.51 0.83 -0.12 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 32 I 8.82 4.75 1.69 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 1.18 0.75 0.53 0.00 0.00 33 V 8.55 4.37 1.78 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 0.60 0.00 0.00 0.61 0.00 0.00 34 A 8.48 4.51 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 L 8.86 4.43 0.00 1.65 1.59 0.98 0.13 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 36 S 8.97 5.02 0.00 3.94 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 37 T 8.85 4.28 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 1.10 0.00 0.00 38 D 8.79 4.56 0.00 2.76 2.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 39 E 8.09 3.96 0.00 2.09 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 2.40 2.44 0.00 40 F 8.55 4.34 0.00 3.10 3.03 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 41 N 8.65 4.05 0.00 3.07 2.92 0.00 0.00 6.77 6.43 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 42 Q 7.92 4.47 0.00 2.39 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.49 0.00 0.00 0.00 0.00 0.00 2.36 2.31 0.00 43 I 7.47 3.77 2.05 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 1.90 1.18 1.25 0.00 0.00 44 K 7.86 4.27 0.00 1.51 1.79 0.00 1.87 0.00 0.00 1.53 0.00 0.00 3.01 0.00 0.00 2.24 0.00 0.00 0.00 0.00 1.41 0.21 7.81 45 H 9.28 4.06 0.00 3.19 3.43 0.00 5.82 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 46 K 7.85 4.74 0.00 1.83 1.65 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.56 1.54 7.81 47 K 8.12 4.58 0.00 1.65 1.66 0.00 1.82 0.00 0.00 1.76 0.00 0.00 2.84 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.31 1.40 7.81 48 S 8.30 4.33 0.00 4.42 4.18 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 0.00 0.00 0.00 0.00 49 Y 10.37 4.01 0.00 2.62 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 50 Y 8.67 4.81 0.00 3.23 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 51 D 9.57 4.93 0.00 3.04 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 52 Y 10.05 4.11 0.00 3.11 3.10 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 53 E 8.52 3.89 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 2.58 2.44 0.00 54 Q 9.35 3.93 0.00 2.18 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.80 0.00 0.00 0.00 0.00 0.00 2.39 2.83 0.00 55 R 8.24 3.82 0.00 1.86 1.93 0.00 3.54 0.00 0.00 3.56 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.98 0.00 56 K 8.07 3.60 0.00 1.06 1.68 0.00 1.53 0.00 0.00 1.52 0.00 0.00 2.90 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.27 1.22 7.81 57 M 7.88 3.86 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.54 2.47 0.00 58 M 7.78 4.03 0.00 2.14 1.83 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.48 0.00 59 L 7.64 3.77 0.00 1.69 1.45 0.61 0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 60 E 8.03 4.05 0.00 1.91 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 2.20 2.47 0.00 61 S 7.49 4.32 0.00 3.97 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 62 I 7.57 3.88 1.81 0.00 0.00 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.78 0.74 0.00 0.00 63 R 8.30 3.66 0.00 0.67 1.62 0.00 3.01 0.00 0.00 3.11 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 1.40 0.00 64 Y 6.83 4.39 0.00 2.94 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 65 V 7.64 3.85 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 0.55 0.00 0.00 0.76 0.00 0.00 66 D 8.14 4.44 0.00 1.81 1.71 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 67 L 7.01 4.27 0.00 1.53 1.24 0.95 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 68 V 8.34 4.81 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 0.77 0.00 0.00 0.73 0.00 0.00 69 I 8.55 4.76 1.71 0.00 0.00 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.89 0.90 0.42 0.00 0.00 70 P 0.00 5.00 0.00 1.97 1.99 0.00 3.77 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.94 0.00 71 E 9.72 4.50 0.00 2.15 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 1.77 2.13 0.00 72 K 9.42 4.21 0.00 1.65 1.78 0.00 1.74 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.33 1.31 7.81 73 G 6.78 3.56 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 0.00 74 W 8.80 4.35 0.00 3.40 3.37 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 75 G 8.00 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 0.00 0.00 0.00 0.00 76 Q 7.76 4.61 0.00 2.31 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5.33 6.76 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 77 K 8.16 4.40 0.00 1.87 1.73 0.00 1.63 0.00 0.00 1.02 0.00 0.00 2.13 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.49 1.01 7.81 78 E 8.40 3.99 0.00 2.11 2.13 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 2.69 2.81 0.00 79 D 8.15 4.34 0.00 2.76 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 D 8.88 4.61 0.00 3.13 2.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 V 8.37 3.70 2.32 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 1.10 0.00 0.00 1.11 0.00 0.00 82 E 8.05 3.89 0.00 2.09 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 0.00 2.30 2.33 0.00 83 K 8.36 3.75 0.00 1.65 1.69 0.00 1.66 0.00 0.00 1.39 0.00 0.00 2.66 0.00 0.00 2.79 0.00 0.00 0.00 0.00 0.54 1.16 7.81 84 F 8.40 4.64 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 85 D 7.88 4.31 0.00 2.73 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 86 V 8.23 3.92 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 1.01 0.00 0.00 1.04 0.00 0.00 87 D 9.41 4.73 0.00 2.72 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 88 V 7.71 4.82 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 1.06 0.00 0.00 0.95 0.00 0.00 89 F 9.92 5.02 0.00 2.94 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 90 V 8.32 4.89 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 0.94 0.00 0.00 0.87 0.00 0.00 91 M 8.71 4.76 0.00 2.15 2.20 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.07 0.00 92 G 8.90 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 0.00 0.00 0.00 93 H 10.11 4.45 0.00 3.49 3.41 0.00 5.83 0.00 0.00 0.00 0.00 6.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 D 8.29 4.64 0.00 2.64 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 95 W 8.07 4.47 0.00 4.01 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 96 E 7.65 2.00 0.00 1.70 1.55 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 2.10 1.95 0.00 97 G 7.39 4.64 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 0.00 98 E 8.09 3.81 0.00 1.75 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 2.34 1.54 0.00 99 F 9.25 5.10 0.00 3.05 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 0.00 0.00 0.00 0.00 100 D 8.22 4.48 0.00 2.88 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 0.00 101 F 8.32 4.50 0.00 3.13 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 L 7.24 4.03 0.00 1.11 1.28 -0.41 0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 103 K 8.21 3.93 0.00 1.70 1.91 0.00 1.91 0.00 0.00 1.66 0.00 0.00 3.15 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.48 1.40 7.81 104 D 8.01 4.59 0.00 2.85 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 0.00 105 K 8.26 4.39 0.00 1.76 1.88 0.00 1.78 0.00 0.00 1.77 0.00 0.00 3.08 0.00 0.00 3.16 0.00 0.00 0.00 0.00 1.39 1.51 7.81 106 C 7.24 4.65 0.00 3.13 3.03 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 0.00 107 E 8.97 4.39 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 2.31 2.27 0.00 108 V 8.35 4.94 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 0.54 0.00 0.00 0.73 0.00 0.00 109 I 9.16 4.59 1.85 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 1.23 0.81 0.94 0.00 0.00 110 Y 8.62 5.10 0.00 3.00 3.03 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 0.00 111 L 9.13 4.00 0.00 1.69 1.66 0.94 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 112 K 8.84 4.15 0.00 1.84 1.72 0.00 1.62 0.00 0.00 1.74 0.00 0.00 2.98 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.38 1.40 7.81 113 R 8.23 4.27 0.00 1.84 2.02 0.00 3.18 0.00 0.00 3.29 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.63 0.00 114 T 7.38 4.55 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 1.27 0.00 0.00 115 E 7.75 4.12 0.00 2.01 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.32 0.00