NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3932 8.3049 120.3244 55.4563 33.4928 173.7054 2 S 4.7197 7.8826 115.7373 54.5761 66.0134 173.3831 3 Y 4.9729 9.5691 120.2515 59.7575 38.2954 178.4857 4 A 3.9829 6.7765 121.0857 53.6674 18.5533 177.7484 5 D 4.5348 8.0107 115.3848 57.2154 41.4697 176.5807 6 S 5.0069 8.4373 115.3529 57.6749 64.3447 173.8147 7 S 6.2300 8.4578 112.2994 57.0371 66.3672 172.4343 8 R 4.5312 8.0661 120.3266 54.1231 33.3717 173.7130 9 N 4.0120 8.2959 112.8725 54.2604 35.6726 174.7545 10 A 4.8295 7.8382 118.8349 51.8008 19.8720 178.6532 11 V 4.5157 9.2092 115.5432 59.7068 36.2864 174.6871 12 L 5.1601 8.4696 121.5897 53.7493 42.8680 176.4803 13 T 4.4777 8.7819 114.5154 59.3317 70.9885 173.4895 14 N 3.9163 9.3800 115.3962 54.4869 35.8322 175.5321 15 G 4.3419 7.7677 107.8724 45.5760 0.0000 172.6209 16 G 3.1685 6.9828 108.3453 45.4712 0.0000 173.8865 17 R 4.6895 7.7179 116.2549 55.2676 31.9758 175.0057 18 T 5.1039 8.0325 117.2532 61.7343 71.8663 173.1055 19 L 4.8674 8.8924 126.3621 53.5439 43.5738 175.4105 20 R 5.3799 8.9888 124.7635 53.7828 32.4218 174.5629 21 A 5.1612 8.2527 126.0232 51.1154 23.6739 174.5972 22 E 4.7501 9.4354 119.6167 55.9398 30.4670 175.7699 23 C 5.0442 9.3445 124.4905 58.1445 29.9801 173.4568 24 R 4.1041 8.9956 126.5213 55.8536 29.8659 176.1774 25 N 4.6810 9.1119 125.1254 51.4934 38.6282 175.8564 26 A 3.8061 8.5169 121.2861 55.4539 18.2693 178.6109 27 D 4.2871 7.9595 113.4983 55.7771 41.4413 176.7854 28 G 3.7308 8.7500 106.9890 45.7739 0.0000 172.5624 29 N 4.8909 8.4251 116.4263 50.7741 41.9177 174.2664 30 W 5.1517 8.6597 121.8557 56.0895 30.0564 175.9829 31 V 4.4859 8.7994 119.5679 59.6590 33.7318 175.5948 32 T 5.3853 8.5837 122.3191 63.0690 68.9651 174.1447 33 S 4.9738 8.7712 121.9839 56.6262 67.2192 172.9711 34 E 5.8463 8.6009 119.9125 53.6002 32.9158 174.9182 35 L 4.7451 8.4056 125.0884 53.2947 45.3211 174.6847 36 D 5.1937 8.6867 125.9246 53.4023 41.5071 177.1684 37 L 3.9063 8.8625 124.8400 56.3776 42.3595 178.6159 38 D 4.8654 8.2589 118.0525 56.1869 41.2808 177.3859 39 T 4.4432 7.3089 107.6953 63.8687 69.5503 174.9799 40 C 4.8602 8.2477 117.3426 58.9260 30.7727 173.4906 41 I 4.4621 7.5758 120.4084 59.2636 39.2204 174.8036 42 G 4.5559 8.3738 112.3217 44.6326 0.0000 172.8740 43 N 6.1175 8.0075 115.3881 51.4339 37.0876 174.7528 44 P 4.3835 0.0000 0.0000 65.3486 31.9477 177.4364 45 N 4.5349 8.1608 113.5815 52.9700 38.8727 175.6583 46 G 3.6293 8.2000 107.0550 44.8544 0.0000 173.3766 47 F 5.1824 7.5307 117.6996 55.3786 42.0994 174.0977 48 L 4.7521 9.0852 125.5526 53.7258 42.8665 176.3644 49 G 3.9366 7.2213 108.6405 46.3507 0.0000 171.1754 50 W 4.8571 10.0069 119.9241 54.4168 29.9180 175.9169 51 G 4.1122 8.8133 121.9861 46.4353 0.0000 173.5013 52 M 4.3627 7.3534 120.5434 54.1258 33.2289 174.2389 53 Q 5.0187 7.5962 117.4968 53.7484 32.3651 173.7863 54 N 5.2666 9.7949 112.5909 54.1059 36.1291 177.0354 55 F 4.4702 8.1758 113.9628 59.3335 38.5778 177.6780 56 S 3.7117 7.4663 116.6087 60.7554 62.5387 175.2121 57 H 4.3541 7.7205 115.8109 57.6500 28.6655 175.5977 58 S 4.9347 8.2859 116.7875 57.7072 64.4565 173.6529 59 S 4.9470 7.9971 112.2167 57.0703 66.7520 172.3355 60 E 4.5792 8.7069 119.9381 54.8782 33.6473 174.9556 61 D 4.2670 8.2631 119.6347 55.4571 37.7942 174.4802 62 I 4.3929 7.4023 118.6143 60.7336 38.0654 175.8887 63 K 4.7175 8.9043 126.3451 54.8180 36.2060 174.6939 64 L 4.6116 8.4547 124.8848 54.8793 42.2339 176.2330 65 E 4.1629 9.5176 126.3216 58.3655 30.6489 178.7001 66 E 4.4285 8.0879 118.1133 56.8179 29.7050 178.5429 67 G 3.9846 8.3102 106.1014 45.6966 0.0000 174.6089 68 G 3.9767 7.7395 115.9251 45.9167 0.0000 174.6802 69 R 4.1240 7.4954 120.1192 57.9842 30.6933 175.9862 70 K 5.0226 7.7343 118.3884 54.7618 36.1905 174.0874 71 L 5.0869 9.2728 129.5102 53.5087 44.2779 174.8362 72 T 5.0671 8.9958 117.2478 60.2554 71.4864 173.0688 73 C 5.1753 8.4962 117.4449 58.4533 33.8761 172.9062 74 R 4.5804 9.0617 121.5336 54.0036 30.4475 173.4110 75 P 4.9161 0.0000 0.0000 62.6354 32.3192 175.2959 76 K 4.6833 8.7276 124.7102 54.5601 35.2768 176.0207 77 T 3.9289 8.0426 118.5018 61.9439 66.6372 175.6293 78 V 3.7315 8.4290 127.6784 63.7354 31.9171 177.6200 79 D 4.5085 7.4260 120.2035 57.0209 41.1810 176.4055 80 G 4.3567 7.3505 101.4121 45.3463 0.0000 173.8785 81 G 4.0000 8.4825 108.3751 44.9895 0.0000 172.8798 82 F 5.0359 6.8587 113.7464 54.2614 40.8869 174.9462 83 R 4.5851 7.4303 121.1466 57.3293 33.8455 172.5659 84 E 4.7224 7.9944 117.4097 54.0193 32.9182 175.5275 85 R 4.4155 8.7179 122.9464 55.9319 31.4063 175.8076 86 Q 4.5601 8.4069 119.6998 56.2740 32.7102 173.2703 87 G 4.3318 8.0696 102.7087 45.9413 0.0000 172.9163 88 I 4.8256 8.7810 123.9820 58.5885 41.1467 174.2759 89 D 4.8901 8.9564 128.9209 52.8636 40.2130 176.8195 90 L 5.0980 8.4861 122.5600 54.0203 39.4884 176.5107 91 N 5.2599 8.3532 112.3215 53.2086 39.7432 176.7513 92 R 4.1020 7.7445 117.2668 56.7063 32.1372 175.8203 93 I 4.6045 7.8627 120.6893 60.6148 38.1814 175.0669 94 Q 5.1625 8.8441 126.4221 53.9313 32.7001 174.6217 95 N 5.4621 8.6753 117.1103 51.3378 40.1336 173.8026 96 V 4.4431 8.9846 124.9219 60.5019 32.6925 175.6399 97 N 4.2539 9.8895 122.8764 54.0676 35.9470 175.6191 98 G 3.9740 8.5798 106.4173 45.2921 0.0000 174.2679 99 R 4.3382 7.9639 120.3920 54.6462 30.9826 175.1099 100 L 4.7569 8.4508 125.9327 54.7819 42.7577 176.0024 101 V 4.5985 8.8722 126.1435 60.8593 35.4352 174.0184 102 F 4.8211 8.8963 129.0296 58.0629 40.1520 174.8208 103 Q 3.5935 8.3918 126.8000 56.0303 28.8197 174.4962 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 1.99 2.07 0.00 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.62 0.00 2 S 7.88 4.72 0.00 3.80 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 3 Y 9.57 4.97 0.00 3.21 3.34 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 0.00 4 A 6.78 3.98 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 D 8.01 4.53 0.00 2.64 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 6 S 8.44 5.01 0.00 3.80 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 7 S 8.46 6.23 0.00 4.17 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 8 R 8.07 4.53 0.00 1.62 1.73 0.00 2.21 0.00 0.00 2.82 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.17 0.00 9 N 8.30 4.01 0.00 2.82 2.84 0.00 0.00 6.71 7.35 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 10 A 7.84 4.83 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 11 V 9.21 4.52 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 0.84 0.00 0.00 1.00 0.00 0.00 12 L 8.47 5.16 0.00 1.53 1.62 0.99 0.87 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 13 T 8.78 4.48 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 14 N 9.38 3.92 0.00 2.91 2.88 0.00 0.00 6.85 8.60 0.00 0.00 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 G 7.77 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 0.00 0.00 0.00 0.00 16 G 6.98 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 0.00 0.00 0.00 17 R 7.72 4.69 0.00 1.79 1.85 0.00 2.65 0.00 0.00 3.07 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.52 0.00 18 T 8.03 5.10 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 1.24 0.00 0.00 19 L 8.89 4.87 0.00 1.43 1.44 0.86 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.00 0.00 0.00 0.00 0.00 0.00 20 R 8.99 5.38 0.00 2.04 1.78 0.00 3.15 0.00 0.00 3.28 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.40 0.00 21 A 8.25 5.16 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 0.00 0.00 0.00 0.00 0.00 0.00 22 E 9.44 4.75 0.00 1.80 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 2.30 2.32 0.00 23 C 9.34 5.04 0.00 3.08 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 24 R 9.00 4.10 0.00 0.67 1.50 0.00 2.67 0.00 0.00 2.25 7.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.50 0.00 25 N 9.11 4.68 0.00 2.95 3.01 0.00 0.00 6.44 7.35 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 26 A 8.52 3.81 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 27 D 7.96 4.29 0.00 2.59 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 28 G 8.75 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 0.00 0.00 0.00 29 N 8.43 4.89 0.00 2.69 2.68 0.00 0.00 7.33 7.61 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 30 W 8.66 5.15 0.00 3.19 3.14 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 31 V 8.80 4.49 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 0.83 0.00 0.00 1.06 0.00 0.00 32 T 8.58 5.39 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 1.24 0.00 0.00 33 S 8.77 4.97 0.00 3.76 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 34 E 8.60 5.85 0.00 1.80 1.80 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 2.20 2.12 0.00 35 L 8.41 4.75 0.00 1.61 1.43 1.04 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 36 D 8.69 5.19 0.00 2.66 2.62 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 37 L 8.86 3.91 0.00 1.71 1.64 0.97 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 38 D 8.26 4.87 0.00 2.75 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 39 T 7.31 4.44 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 1.22 0.00 0.00 40 C 8.25 4.86 0.00 2.92 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 41 I 7.58 4.46 1.11 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.30 0.38 0.00 0.00 0.00 42 G 8.37 4.56 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 43 N 8.01 6.12 0.00 2.90 3.02 0.00 0.00 6.81 8.02 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 44 P 0.00 4.38 0.00 2.04 2.12 0.00 3.72 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 45 N 8.16 4.53 0.00 2.80 2.92 0.00 0.00 7.23 7.70 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 46 G 8.20 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 47 F 7.53 5.18 0.00 3.08 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 48 L 9.09 4.75 0.00 1.61 1.46 0.92 1.06 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 49 G 7.22 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 0.00 0.00 0.00 50 W 10.01 4.86 0.00 3.22 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 51 G 8.81 4.11 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 0.00 0.00 0.00 52 M 7.35 4.36 0.00 1.98 2.01 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.59 0.00 53 Q 7.60 5.02 0.00 2.35 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.56 0.00 0.00 0.00 0.00 0.00 2.20 2.29 0.00 54 N 9.79 5.27 0.00 2.84 2.81 0.00 0.00 7.14 7.99 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 55 F 8.18 4.47 0.00 3.22 3.31 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 56 S 7.47 3.71 0.00 3.42 3.57 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 57 H 7.72 4.35 0.00 3.25 3.31 0.00 5.79 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 S 8.29 4.93 0.00 3.97 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 59 S 8.00 4.95 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 60 E 8.71 4.58 0.00 1.86 1.80 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 2.17 2.22 0.00 61 D 8.26 4.27 0.00 2.87 2.70 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 62 I 7.40 4.39 1.88 0.00 0.00 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.48 1.14 0.00 0.00 63 K 8.90 4.72 0.00 1.78 1.60 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.81 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.35 1.44 7.81 64 L 8.45 4.61 0.00 1.62 1.72 1.08 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 65 E 9.52 4.16 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 2.28 2.30 0.00 66 E 8.09 4.43 0.00 2.23 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 2.40 2.32 0.00 67 G 8.31 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 68 G 7.74 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 69 R 7.50 4.12 0.00 1.82 1.98 0.00 3.22 0.00 0.00 2.95 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.67 0.00 70 K 7.73 5.02 0.00 2.01 1.60 0.00 1.70 0.00 0.00 1.78 0.00 0.00 2.97 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.64 7.81 71 L 9.27 5.09 0.00 1.73 1.44 1.01 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 72 T 9.00 5.07 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 1.29 0.00 0.00 73 C 8.50 5.18 0.00 3.12 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 74 R 9.06 4.58 0.00 1.86 1.98 0.00 3.09 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.55 0.00 75 P 0.00 4.92 0.00 2.04 2.17 0.00 3.85 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.20 1.94 0.00 76 K 8.73 4.68 0.00 1.53 1.72 0.00 1.43 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.26 1.46 7.81 77 T 8.04 3.93 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.19 0.00 0.00 78 V 8.43 3.73 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 0.65 0.00 0.00 0.88 0.00 0.00 79 D 7.43 4.51 0.00 2.55 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 80 G 7.35 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 81 G 8.48 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 82 F 6.86 5.04 0.00 3.15 3.12 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 0.00 0.00 0.00 0.00 83 R 7.43 4.59 0.00 1.64 1.82 0.00 3.07 0.00 0.00 2.91 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.24 0.00 84 E 7.99 4.72 0.00 1.75 1.70 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 2.24 2.27 0.00 85 R 8.72 4.42 0.00 1.76 1.81 0.00 3.34 0.00 0.00 3.23 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.60 0.00 86 Q 8.41 4.56 0.00 2.14 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.89 0.00 0.00 0.00 0.00 0.00 2.35 2.38 0.00 87 G 8.07 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 88 I 8.78 4.83 1.70 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 1.28 1.20 0.63 0.00 0.00 89 D 8.96 4.89 0.00 2.78 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 90 L 8.49 5.10 0.00 1.75 1.99 1.14 1.17 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 91 N 8.35 5.26 0.00 2.99 2.85 0.00 0.00 7.33 7.58 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 92 R 7.74 4.10 0.00 0.97 1.37 0.00 2.27 0.00 0.00 2.25 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.86 0.00 93 I 7.86 4.60 2.08 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.26 0.77 0.00 0.00 94 Q 8.84 5.16 0.00 1.95 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.24 7.07 0.00 0.00 0.00 0.00 0.00 2.38 2.35 0.00 95 N 8.68 5.46 0.00 2.80 3.06 0.00 0.00 5.61 7.82 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 96 V 8.98 4.44 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 0.92 0.00 0.00 97 N 9.89 4.25 0.00 2.87 2.92 0.00 0.00 7.31 7.64 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 98 G 8.58 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 0.00 0.00 0.00 99 R 7.96 4.34 0.00 2.05 1.88 0.00 3.18 0.00 0.00 3.39 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 100 L 8.45 4.76 0.00 1.62 1.56 0.87 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 101 V 8.87 4.60 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 0.86 0.00 0.00 1.01 0.00 0.00 102 F 8.90 4.82 0.00 3.07 3.01 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 0.00 0.00 0.00 103 Q 8.39 3.59 0.00 1.77 1.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.06 6.26 0.00 0.00 0.00 0.00 0.00 2.03 2.06 0.00