NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 P 4.3648 0.0000 0.0000 61.9242 32.3679 175.9336 3 K 3.8134 8.7672 122.7318 55.7639 32.6522 175.1752 4 K 3.9696 9.3647 126.5631 57.1102 33.9661 175.5470 5 V 4.7726 8.3221 125.3247 61.4577 33.6825 174.5415 6 L 4.7453 8.5423 128.6387 53.4906 44.5690 175.7331 7 T 4.7858 7.5169 109.1173 60.0425 71.6338 173.7026 8 G 4.0786 8.2436 110.8282 45.7908 0.0000 171.1404 9 V 5.0420 8.3771 113.0192 59.3004 35.3931 175.5879 10 V 4.2236 8.3014 124.6665 63.0765 32.2605 176.4564 11 V 4.5770 8.7385 118.6517 60.8203 33.6123 175.2141 12 S 4.7232 7.6236 114.7056 57.0165 64.2056 172.7452 13 D 4.6674 8.1032 120.6394 53.3971 40.1827 178.3256 14 K 4.2278 7.8849 122.2250 60.1028 32.0844 177.5516 15 M 4.3782 7.2013 116.9517 54.6402 32.7303 175.2506 16 Q 4.4643 8.4424 118.5425 55.7748 29.6771 176.5505 17 K 5.0454 9.0349 120.1883 56.9236 29.8016 174.7197 18 T 5.2148 7.5355 114.0566 62.1211 72.3636 173.8899 19 V 4.5489 8.4371 117.8165 59.8112 36.2431 174.9644 20 T 4.6181 8.2762 121.0380 62.7968 69.7737 173.9197 21 V 4.5530 8.3269 127.6875 61.3145 33.4015 174.2242 22 L 4.9476 8.9783 131.0001 53.8713 43.8455 175.2455 23 V 4.6458 8.8185 125.7449 61.5094 34.8443 175.1483 24 E 5.0355 8.8583 126.9561 56.3090 32.0302 175.2125 25 R 4.8645 7.3901 118.2082 57.1505 31.1567 173.2392 26 Q 5.0892 8.6600 119.2173 54.4339 32.8111 174.4841 27 F 5.1068 8.4722 115.6010 54.7715 41.8957 171.7978 28 P 4.9155 0.0000 0.0000 62.5479 32.0912 175.6859 29 H 4.2587 9.2343 125.9645 55.5758 30.0787 174.1895 30 P 4.0546 0.0000 0.0000 65.1279 30.9700 176.5043 31 L 4.3529 7.9114 118.0847 55.0376 43.7442 175.9342 32 Y 4.6933 8.0870 112.3713 57.0422 39.5918 175.1273 33 G 4.3558 9.1468 112.1679 45.4441 0.0000 174.2739 34 K 3.8493 7.8417 119.8768 55.7622 33.2132 175.6462 35 V 4.3197 8.5333 121.2216 61.3395 31.8389 175.4540 36 I 4.3533 8.5814 120.3710 59.0802 40.3364 175.0402 37 K 4.8856 7.8952 124.4873 54.2063 34.4169 174.9416 38 R 4.6668 7.6351 119.4486 55.8448 32.8667 172.8586 39 S 5.1116 8.9123 118.9895 56.4596 66.3711 172.8984 40 K 4.5902 8.9422 122.2958 54.6135 35.4858 174.6131 41 K 5.0002 8.4558 125.4324 55.1521 33.8837 175.3053 42 Y 4.6093 8.8991 122.3855 56.2540 41.3234 175.1506 43 L 4.5354 8.4847 121.8103 53.5432 42.9733 175.9358 44 A 5.5034 8.4459 126.1065 50.8370 21.1398 175.0374 45 H 5.0740 8.6418 119.0589 54.6882 32.2652 173.2177 46 D 4.4679 9.1884 125.5795 52.0147 42.9017 173.9684 47 P 4.2272 0.0000 0.0000 65.4153 31.7109 177.4993 48 E 4.2957 8.1346 116.7910 60.3698 30.4324 177.7841 49 E 3.8522 7.1345 114.1271 58.1575 25.8288 176.2176 50 K 4.4626 8.2972 117.0624 56.3071 33.7227 175.9874 51 Y 4.5566 8.3739 117.5127 56.3436 40.1254 175.5328 52 K 4.5521 7.7206 121.8075 54.6401 35.2154 175.0614 53 L 4.0689 8.2681 121.0468 56.3633 42.4382 176.9160 54 G 3.8324 9.1613 115.2700 46.4216 0.0000 171.9384 55 D 5.1492 8.0162 119.0326 51.9450 43.8053 175.8854 56 V 4.2619 8.6174 124.7852 62.9386 32.2202 174.9906 57 V 4.8360 8.7778 123.8628 59.9479 35.7845 173.6185 58 E 4.9715 8.4406 119.4201 55.5502 33.4051 175.0268 59 I 4.8223 8.7782 125.1213 59.6081 39.9207 174.4939 60 I 5.1841 8.3970 125.8176 58.7145 41.1933 174.1406 61 E 2.7840 8.7366 130.3154 56.6852 30.0127 175.8835 62 S 4.6301 7.9254 121.4871 56.5853 67.8255 173.4519 63 R 3.9193 8.3872 121.0417 55.1831 30.3200 173.6395 64 P 4.1516 0.0000 0.0000 63.4544 31.4468 175.9021 65 I 3.9594 8.2321 124.6558 62.9607 37.7427 175.7380 66 S 4.5092 7.1772 111.0109 57.3140 65.6759 176.0171 67 K 3.8543 7.9863 121.0685 57.9432 32.3522 177.6557 68 R 4.0939 8.7285 127.5665 57.6059 29.2645 177.2792 69 K 4.7185 8.8266 117.9996 55.7149 32.6316 177.6727 70 R 4.8736 8.6547 118.3567 56.1394 35.2052 174.3698 71 F 5.2147 8.4306 117.9585 55.7001 43.2035 174.3454 72 R 4.9613 8.5202 121.1635 54.2575 33.1284 175.7813 73 V 3.4295 7.8978 121.5412 63.2917 31.2068 175.3753 74 L 4.3335 9.2382 132.8212 56.4904 42.0168 176.8360 75 R 4.7309 7.3716 112.1521 55.0946 33.2249 172.4429 76 L 4.2456 8.5312 122.0546 55.1425 42.2598 175.3649 77 V 4.0050 9.0900 129.3920 63.6190 31.0426 175.0943 78 E 4.7906 8.0215 115.6214 54.5545 33.6811 174.5585 79 S 4.7697 8.8900 116.7713 57.8968 63.9475 173.6998 80 G 3.9069 10.0372 116.1130 46.8992 0.0000 174.4333 81 R 5.0090 7.7194 129.8640 53.8405 31.4856 177.1170 82 M 4.1942 8.1277 118.5436 57.5244 32.3116 177.6219 83 D 4.4550 8.0530 119.2799 55.6949 39.7038 178.3128 84 L 4.0788 8.0489 121.2637 57.6215 41.8693 179.2434 85 V 3.7591 7.6758 117.5725 65.7555 31.3460 177.8986 86 E 3.9262 8.3694 118.5566 59.4838 29.2202 179.1075 87 K 3.5724 7.3797 116.3944 59.9974 32.3701 177.6686 88 Y 4.1502 8.8153 120.1180 58.1544 38.3209 178.1339 89 L 3.5627 7.5622 119.4389 57.6738 42.5158 179.3722 90 I 3.6153 8.4717 121.0069 64.2834 36.8303 178.5079 91 R 3.7153 7.8487 118.3690 58.5742 30.1433 177.6517 92 R 3.0782 7.0801 117.1911 57.3274 30.4436 177.8108 93 Q 3.8487 7.6681 119.7008 59.2661 28.9797 177.6541 94 N 4.1050 7.8633 117.6128 57.3327 38.6532 177.1699 95 Y 4.3316 6.9920 116.8325 61.2708 38.2079 178.6564 96 E 4.0371 8.1404 118.9777 59.0519 29.6288 177.8714 97 S 4.8280 8.7781 113.1938 58.3910 63.4493 174.5349 98 L 4.6414 7.7860 119.1827 55.3587 42.8914 177.0765 99 S 4.6163 7.6641 113.4584 57.8105 65.2617 174.3225 100 K 4.0979 8.2231 118.8805 57.3844 32.7757 175.7442 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 4.36 0.00 2.19 2.14 0.00 3.76 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 1.88 1.99 0.00 3 K 8.77 3.81 0.00 1.71 1.75 0.00 1.72 0.00 0.00 1.76 0.00 0.00 2.76 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.40 1.46 7.81 4 K 9.36 3.97 0.00 1.96 1.87 0.00 1.48 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.52 1.48 7.81 5 V 8.32 4.77 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 0.91 0.00 0.00 1.00 0.00 0.00 6 L 8.54 4.75 0.00 1.36 1.37 -0.15 0.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 7 T 7.52 4.79 4.36 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 1.26 0.00 0.00 8 G 8.24 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 0.00 0.00 0.00 9 V 8.38 5.04 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 0.74 0.00 0.00 0.95 0.00 0.00 10 V 8.30 4.22 2.22 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 1.02 0.00 0.00 1.04 0.00 0.00 11 V 8.74 4.58 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 0.53 0.00 0.00 0.62 0.00 0.00 12 S 7.62 4.72 0.00 3.81 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 13 D 8.10 4.67 0.00 2.84 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 14 K 7.88 4.23 0.00 1.67 1.94 0.00 1.73 0.00 0.00 1.73 0.00 0.00 2.86 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.50 1.44 7.81 15 M 7.20 4.38 0.00 2.07 2.18 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 2.66 2.53 0.00 16 Q 8.44 4.46 0.00 2.13 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.72 6.25 0.00 0.00 0.00 0.00 0.00 2.41 2.38 0.00 17 K 9.03 5.05 0.00 2.06 2.02 0.00 1.94 0.00 0.00 1.85 0.00 0.00 3.08 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.60 1.44 7.81 18 T 7.54 5.21 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 1.34 0.00 0.00 19 V 8.44 4.55 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 1.12 0.00 0.00 0.92 0.00 0.00 20 T 8.28 4.62 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 1.18 0.00 0.00 21 V 8.33 4.55 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 0.90 0.00 0.00 0.87 0.00 0.00 22 L 8.98 4.95 0.00 1.54 1.45 0.86 0.49 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 23 V 8.82 4.65 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 0.95 0.00 0.00 0.88 0.00 0.00 24 E 8.86 5.04 0.00 2.02 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 2.27 2.25 0.00 25 R 7.39 4.86 0.00 2.01 2.11 0.00 3.06 0.00 0.00 3.40 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.66 0.00 26 Q 8.66 5.09 0.00 1.94 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.78 0.00 0.00 0.00 0.00 0.00 2.26 2.35 0.00 27 F 8.47 5.11 0.00 3.11 3.04 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 28 P 0.00 4.92 0.00 2.03 2.08 0.00 3.84 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.09 2.13 0.00 29 H 9.23 4.26 0.00 3.37 3.38 0.00 5.62 0.00 0.00 0.00 0.00 6.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 P 0.00 4.05 0.00 2.18 2.21 0.00 3.42 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 1.88 1.95 0.00 31 L 7.91 4.35 0.00 1.37 1.36 0.68 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.44 0.00 0.00 0.00 0.00 0.00 0.00 32 Y 8.09 4.69 0.00 2.91 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 33 G 9.15 4.36 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 34 K 7.84 3.85 0.00 1.86 1.73 0.00 1.68 0.00 0.00 1.77 0.00 0.00 2.82 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.49 1.51 7.81 35 V 8.53 4.32 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 0.77 0.00 0.00 0.92 0.00 0.00 36 I 8.58 4.35 1.70 0.00 0.00 0.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.38 0.21 0.86 0.00 0.00 37 K 7.90 4.89 0.00 1.75 1.75 0.00 1.68 0.00 0.00 0.61 0.00 0.00 2.90 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.47 1.25 7.81 38 R 7.64 4.67 0.00 2.01 1.87 0.00 3.40 0.00 0.00 3.50 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.53 0.00 39 S 8.91 5.11 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 40 K 8.94 4.59 0.00 1.79 1.69 0.00 1.45 0.00 0.00 1.57 0.00 0.00 2.13 0.00 0.00 2.55 0.00 0.00 0.00 0.00 0.30 1.00 7.81 41 K 8.46 5.00 0.00 1.58 1.65 0.00 1.70 0.00 0.00 1.54 0.00 0.00 2.94 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.39 7.81 42 Y 8.90 4.61 0.00 2.69 2.67 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 43 L 8.48 4.54 0.00 1.65 1.66 0.94 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 44 A 8.45 5.50 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 45 H 8.64 5.07 0.00 3.27 3.19 0.00 5.81 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 D 9.19 4.47 0.00 2.67 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 47 P 0.00 4.23 0.00 2.22 2.11 0.00 3.76 0.00 0.00 3.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.96 0.00 48 E 8.13 4.30 0.00 1.97 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 2.27 2.39 0.00 49 E 7.13 3.85 0.00 2.06 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 0.00 2.33 2.28 0.00 50 K 8.30 4.46 0.00 1.67 2.00 0.00 1.38 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.59 0.00 0.00 0.00 0.00 1.14 0.66 7.81 51 Y 8.37 4.56 0.00 3.07 2.94 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 0.00 0.00 0.00 52 K 7.72 4.55 0.00 1.84 1.84 0.00 1.86 0.00 0.00 1.65 0.00 0.00 2.88 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.54 1.50 7.81 53 L 8.27 4.07 0.00 1.65 1.64 0.95 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 0.00 0.00 0.00 0.00 0.00 0.00 54 G 9.16 3.83 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 0.00 0.00 0.00 55 D 8.02 5.15 0.00 2.74 2.66 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 56 V 8.62 4.26 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 1.09 0.00 0.00 0.97 0.00 0.00 57 V 8.78 4.84 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 0.92 0.00 0.00 0.83 0.00 0.00 58 E 8.44 4.97 0.00 1.99 1.77 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 2.19 2.36 0.00 59 I 8.78 4.82 1.63 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 1.03 0.56 0.00 0.00 60 I 8.40 5.18 1.88 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 1.49 0.99 0.00 0.00 61 E 8.74 2.78 0.00 1.93 1.67 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 2.02 1.81 0.00 62 S 7.93 4.63 0.00 3.70 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 63 R 8.39 3.92 0.00 1.72 1.79 0.00 3.41 0.00 0.00 3.20 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 64 P 0.00 4.15 0.00 2.05 2.03 0.00 3.68 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 2.10 0.00 65 I 8.23 3.96 1.81 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 0.65 0.68 0.00 0.00 66 S 7.18 4.51 0.00 3.97 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 67 K 7.99 3.85 0.00 1.81 1.74 0.00 1.86 0.00 0.00 1.82 0.00 0.00 3.06 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.52 1.49 7.81 68 R 8.73 4.09 0.00 2.03 2.07 0.00 3.26 0.00 0.00 3.23 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.64 0.00 69 K 8.83 4.72 0.00 1.76 1.77 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.97 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.49 1.53 7.81 70 R 8.65 4.87 0.00 1.99 1.89 0.00 3.28 0.00 0.00 3.41 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.71 0.00 71 F 8.43 5.21 0.00 2.85 2.84 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 72 R 8.52 4.96 0.00 1.78 1.82 0.00 3.15 0.00 0.00 3.10 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 73 V 7.90 3.43 1.81 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 -0.40 0.00 0.00 0.64 0.00 0.00 74 L 9.24 4.33 0.00 1.72 1.62 0.99 0.90 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 75 R 7.37 4.73 0.00 1.95 2.02 0.00 3.03 0.00 0.00 3.28 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.65 0.00 76 L 8.53 4.25 0.00 1.91 1.71 1.07 0.93 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 77 V 9.09 4.00 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 0.82 0.00 0.00 0.94 0.00 0.00 78 E 8.02 4.79 0.00 2.03 1.98 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 2.25 2.28 0.00 79 S 8.89 4.77 0.00 3.85 3.78 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 80 G 10.04 3.91 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 0.00 0.00 0.00 0.00 0.00 0.00 81 R 7.72 5.01 0.00 1.81 1.85 0.00 3.58 0.00 0.00 3.46 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 82 M 8.13 4.19 0.00 2.04 2.12 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.70 2.55 0.00 83 D 8.05 4.45 0.00 2.87 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 84 L 8.05 4.08 0.00 1.82 1.75 0.92 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 85 V 7.68 3.76 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 1.21 0.00 0.00 1.00 0.00 0.00 86 E 8.37 3.93 0.00 2.04 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 2.52 2.49 0.00 87 K 7.38 3.57 0.00 2.10 1.93 0.00 1.72 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.52 1.74 7.81 88 Y 8.82 4.15 0.00 3.10 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 89 L 7.56 3.56 0.00 1.82 1.61 0.94 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.47 3.62 1.92 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 1.49 1.01 0.84 0.00 0.00 91 R 7.85 3.72 0.00 1.75 1.83 0.00 3.24 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.49 0.00 92 R 7.08 3.08 0.00 1.31 1.54 0.00 3.14 0.00 0.00 3.17 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.74 0.00 93 Q 7.67 3.85 0.00 2.29 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.40 0.00 0.00 0.00 0.00 0.00 2.30 2.33 0.00 94 N 7.86 4.10 0.00 2.58 2.83 0.00 0.00 7.08 7.50 0.00 0.00 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 Y 6.99 4.33 0.00 3.20 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 96 E 8.14 4.04 0.00 2.11 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 2.37 2.32 0.00 97 S 8.78 4.83 0.00 3.87 3.94 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 0.00 0.00 0.00 98 L 7.79 4.64 0.00 1.74 1.71 1.03 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 99 S 7.66 4.62 0.00 3.98 3.91 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 0.00 0.00 0.00 100 K 8.22 4.10 0.00 1.72 1.68 0.00 1.77 0.00 0.00 1.74 0.00 0.00 3.02 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.42 7.81