NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- -1 H 4.6014 8.4449 117.8333 55.1933 30.9398 173.0071 0 H 4.2233 8.1336 114.4930 56.8254 26.1533 172.4369 1 M 5.5755 8.3608 118.1332 53.7771 36.2778 174.7141 2 K 4.1314 8.7356 125.8032 54.7416 35.8891 174.7728 3 T 4.7063 7.9225 122.8004 62.3190 70.1591 174.0682 4 F 4.5054 8.7718 123.9733 55.8139 42.4514 173.8470 5 H 5.4315 8.6426 118.9583 54.3007 31.0887 174.0668 6 L 4.8472 8.9802 120.7045 53.3610 46.2535 175.3585 7 T 5.0559 8.5250 118.5936 62.1628 70.1956 174.0673 8 T 4.7892 8.7800 117.2707 60.4893 70.7837 174.7691 9 Q 4.5565 9.3545 120.6445 55.8284 30.4601 175.1777 10 S 4.5392 7.4588 111.6126 56.8008 66.1583 174.7661 11 R 4.5163 8.6007 119.9132 58.5849 30.5438 175.6064 12 D 5.5074 7.8879 117.0069 52.3923 43.3994 175.4406 13 E 4.6069 9.0105 123.6353 55.2293 33.7704 173.4182 14 M 4.8873 8.6850 126.6206 53.8546 33.8025 175.3072 15 V 4.3413 8.8247 125.5959 60.9791 33.6103 174.3186 16 D 4.4384 8.9698 128.7606 54.1440 41.4603 175.4895 17 I 4.2642 8.4424 119.5252 60.9041 38.4467 177.4412 18 T 3.7462 8.2350 120.2789 67.3160 68.1642 176.3575 19 S 4.1320 7.9512 115.2898 61.5197 63.1530 176.3129 20 Q 4.0371 7.9619 121.1456 58.7206 28.5406 178.5661 21 I 3.7706 7.6177 120.7561 64.6138 37.1169 178.4558 22 E 4.0714 8.4198 119.4220 59.5860 29.1329 179.5844 23 T 3.9223 8.3488 116.2482 66.1935 68.5010 176.2834 24 W 4.6302 8.3258 129.9732 60.8059 30.6346 177.8379 25 I 3.4095 7.9190 119.4937 64.4109 36.3673 178.2692 26 R 3.8327 7.9499 118.0292 59.6331 29.9786 177.9919 27 E 4.0990 8.2396 117.5215 59.5511 29.5555 179.0818 28 T 3.8664 7.5691 108.3316 62.1362 69.0230 175.8871 29 G 3.7890 7.3758 108.7903 45.5115 0.0000 173.8018 30 V 3.6094 7.2682 119.6528 62.8923 32.2785 175.4202 31 T 4.4408 8.5610 116.0967 62.6626 70.4327 174.2086 32 N 5.5065 8.5510 118.5862 49.7350 43.3767 173.8893 33 G 4.5325 7.2053 109.8875 45.2257 0.0000 172.2293 34 V 5.0363 8.5518 116.9811 59.5455 36.8057 173.9429 35 A 5.2212 9.2191 124.4795 50.3389 21.9074 175.1139 36 I 4.7453 9.1148 124.1469 59.6674 39.5391 174.8914 37 V 4.8688 8.8891 128.0651 61.1824 33.8516 174.2845 38 S 5.0080 9.3332 123.0217 56.3930 65.4165 173.0293 39 S 4.8149 9.3316 123.2497 58.3721 62.7712 173.7287 40 L 4.5174 8.5997 125.5567 54.9971 41.6082 176.1996 41 H 5.0999 8.0865 115.9995 54.2976 31.6098 174.0089 42 T 4.3949 8.4517 110.7872 62.5055 69.4753 175.4800 43 T 4.8101 8.0726 110.7889 60.1289 70.6321 172.8789 44 A 4.6457 8.0988 122.6225 50.7762 22.5076 175.9256 45 G 4.3484 8.4261 108.5563 44.3516 0.0000 171.1974 46 I 5.1446 8.4415 119.7473 59.8115 40.5129 175.2803 47 T 4.7707 8.8994 119.7603 60.5601 71.7605 172.1171 48 V 4.9287 8.1364 123.9586 61.5005 33.6974 174.0918 49 N 4.8383 8.9404 125.4252 53.0567 42.8648 172.1118 50 E 4.7561 8.9858 120.7438 57.0631 29.9412 177.4151 51 N 5.2459 9.7541 122.5024 52.3028 38.4434 175.4086 52 A 4.2716 8.5627 121.3542 53.7615 20.8451 176.7639 53 D 4.5829 7.8167 118.5025 52.2565 41.4641 175.1714 54 P 4.3683 0.0000 0.0000 65.7649 31.1393 177.8955 55 D 4.4032 8.7635 119.2024 56.6749 40.4948 178.7763 56 V 3.5339 7.7387 119.6322 65.8895 31.5994 178.2355 57 K 3.8343 7.8863 118.0861 59.7620 32.4035 178.9976 58 R 3.8777 7.9895 119.3130 59.4360 29.9687 178.7778 59 D 4.3539 8.2558 118.4933 57.3718 40.6879 178.7879 60 M 4.0545 8.2332 119.6627 58.4247 31.9698 178.7894 61 I 3.7744 7.8893 119.9737 64.5341 37.1975 178.1428 62 M 4.0100 8.2016 119.0051 58.8216 32.0411 178.5002 63 R 3.9222 8.3387 118.5377 59.2995 30.1541 179.0701 64 L 3.9675 8.1868 118.9125 57.8379 41.6302 179.1012 65 D 4.4168 8.2797 117.9278 57.0350 40.8678 178.0942 66 E 4.0626 7.7071 118.4492 59.0220 29.6950 178.7902 67 V 3.6628 7.8069 117.6094 64.5773 32.7519 175.7478 68 Y 4.8273 7.6492 116.0351 54.7459 37.9008 173.1992 69 P 5.0028 0.0000 0.0000 61.5416 32.6309 176.7995 70 W 4.0479 9.0520 131.6124 60.4371 30.9090 175.9700 71 H 4.8415 8.1795 114.4035 54.4143 29.7666 174.0921 72 H 4.7769 8.4840 123.4841 54.2401 32.5841 173.7776 73 E 4.0661 8.8849 124.9989 58.8911 29.5323 177.2848 74 N 4.7177 8.2677 114.5397 53.2208 39.3573 174.9198 75 D 4.4178 7.8553 119.4527 54.6139 41.2101 176.4877 76 R 4.2506 8.3432 121.5309 56.8708 31.6975 175.9011 77 H 4.4088 7.9494 117.8942 55.8323 29.1962 175.4358 78 M 4.1368 8.4139 127.7662 57.7572 32.1731 177.8143 79 E 3.8580 7.7536 118.8329 57.6570 29.7814 177.5401 80 G 3.9830 7.9298 105.5561 45.0197 0.0000 173.2866 81 N 3.9349 7.6610 116.3858 52.4287 38.2066 176.7964 82 T 3.7271 7.9556 117.6043 67.8750 68.3617 175.3670 83 A 3.7538 7.3066 121.3376 55.0885 18.2934 179.3779 84 A 3.9395 7.5348 119.1161 55.5395 18.4469 179.5535 85 H 4.3595 7.7954 115.5325 58.4401 28.8432 177.8971 86 L 3.6041 7.5549 120.6339 57.5657 41.2503 179.7094 87 K 3.6019 7.5088 118.3952 59.4257 31.8358 179.5746 88 T 4.0182 7.7149 115.9322 66.9541 68.2248 177.0301 89 S 4.2914 7.7276 115.5093 61.5074 62.8116 176.7022 90 T 4.0937 7.5746 118.1034 66.7130 68.3928 177.0463 91 V 3.8602 7.8353 113.1059 61.7132 32.2111 177.4438 92 G 4.1138 8.0330 106.2989 45.2075 0.0000 173.8870 93 H 4.5849 8.9297 115.7010 56.9516 29.9776 174.4891 94 A 5.1084 7.4632 118.9634 50.6562 22.3269 175.3039 95 Q 4.6184 9.1719 117.9214 54.4299 33.3786 174.4059 96 T 5.0435 8.5593 118.6853 61.9145 70.6437 173.7943 97 L 4.8938 9.2177 126.0549 52.9035 45.6303 175.6801 98 I 4.5813 8.2508 122.4840 60.6832 39.2890 174.5526 99 I 4.9124 8.6363 127.3145 59.6723 39.6598 174.6989 100 S 4.9153 8.8054 121.4095 57.0564 65.8212 173.7372 101 E 3.8106 10.1133 127.0951 57.5980 27.4125 175.6900 102 G 3.9145 8.5760 104.0135 45.8647 0.0000 174.2470 103 R 4.7222 7.7249 118.0003 53.5726 33.5147 174.8664 104 L 4.4786 8.7225 120.9829 54.9118 42.4318 177.8673 105 V 3.9756 8.7028 124.4435 62.2316 30.9672 174.7662 106 L 4.9435 8.1196 126.1407 52.3372 45.6139 176.9290 107 G 3.8008 9.5844 112.6686 45.2374 0.0000 174.4275 108 T 3.5644 8.3074 115.7013 65.9755 68.4159 175.6326 109 W 5.2996 7.7998 117.7492 55.7182 29.5669 174.4101 110 Q 4.9811 8.1208 118.9680 54.8632 29.1162 175.4918 111 G 4.1457 9.2984 111.1395 44.2541 0.0000 171.1505 112 V 4.7957 8.3914 120.7202 61.3978 33.3945 174.2256 113 Y 5.1765 8.9879 125.3177 56.0500 41.4215 174.4574 114 F 4.4022 9.0678 126.8178 57.9596 40.9240 174.1095 115 C 4.5218 8.3721 125.5498 57.9025 29.1711 172.1879 116 E 4.2320 8.7999 126.6612 55.6404 30.2036 176.5562 117 F 5.2456 8.5248 123.9067 56.7455 40.8848 175.0488 118 D 4.9079 8.8708 119.6858 53.6736 41.3473 175.3328 119 G 4.4134 8.5610 106.4489 43.4888 0.0000 171.6510 120 P 4.9272 0.0000 0.0000 62.7926 32.2291 176.1904 121 R 4.8695 8.9575 120.9083 54.7655 34.7395 174.4784 122 T 4.5112 8.6081 111.9399 60.8505 70.7144 173.7334 123 N 4.0817 8.6042 117.5242 54.3617 36.5545 175.0204 124 R 4.2877 7.6814 115.6977 56.5352 31.9500 177.2496 125 K 5.2889 9.0223 119.9377 54.8909 36.9595 175.1450 126 F 5.6195 8.7310 117.2337 55.4543 42.0249 173.7063 127 V 5.0254 9.2131 112.5889 59.6144 35.3520 174.9472 128 V 4.9890 8.9378 123.4365 61.1478 34.3707 173.9585 129 K 5.2903 9.3498 129.7928 54.7793 34.4000 174.4722 130 L 5.2841 9.1648 127.8616 53.1067 43.8454 175.7835 131 L 4.9070 9.0029 123.6573 53.1725 44.2679 175.8428 132 T 4.8601 8.4500 113.9244 60.0052 70.8258 174.4818 133 D 4.6110 8.8491 122.2802 54.8529 40.9731 176.3738 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 H 8.44 4.60 0.00 3.19 3.45 0.00 6.01 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0 H 8.13 4.22 0.00 3.64 3.33 0.00 5.56 0.00 0.00 0.00 0.00 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1 M 8.36 5.58 0.00 2.05 2.02 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 2.68 2.50 0.00 2 K 8.74 4.13 0.00 0.79 0.74 0.00 0.61 0.00 0.00 0.61 0.00 0.00 2.13 0.00 0.00 2.20 0.00 0.00 0.00 0.00 0.30 0.36 7.81 3 T 7.92 4.71 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 1.12 0.00 0.00 4 F 8.77 4.51 0.00 1.51 2.28 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 5 H 8.64 5.43 0.00 2.91 3.12 0.00 5.66 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 6 L 8.98 4.85 0.00 1.17 1.33 0.33 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 7 T 8.53 5.06 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 1.30 0.00 0.00 8 T 8.78 4.79 4.37 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 1.34 0.00 0.00 9 Q 9.35 4.56 0.00 1.99 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.39 0.00 10 S 7.46 4.54 0.00 3.91 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 11 R 8.60 4.52 0.00 1.69 1.79 0.00 2.21 0.00 0.00 2.40 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.09 0.00 12 D 7.89 5.51 0.00 2.58 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 13 E 9.01 4.61 0.00 2.01 1.75 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 2.24 2.30 0.00 14 M 8.69 4.89 0.00 1.39 1.72 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.28 0.00 15 V 8.82 4.34 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 0.95 0.00 0.00 1.02 0.00 0.00 16 D 8.97 4.44 0.00 2.57 2.50 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 17 I 8.44 4.26 1.58 0.00 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.26 0.79 0.00 0.00 18 T 8.23 3.75 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 1.16 0.00 0.00 19 S 7.95 4.13 0.00 4.05 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 20 Q 7.96 4.04 0.00 1.89 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.94 0.00 0.00 0.00 0.00 0.00 2.47 2.55 0.00 21 I 7.62 3.77 1.99 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.90 0.99 0.00 0.00 22 E 8.42 4.07 0.00 2.03 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 2.34 2.51 0.00 23 T 8.35 3.92 4.52 0.00 0.00 0.00 0.00 0.00 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 0.00 0.00 24 W 8.33 4.63 0.00 3.65 3.43 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 25 I 7.92 3.41 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 1.44 0.93 0.00 0.00 26 R 7.95 3.83 0.00 2.14 2.14 0.00 3.38 0.00 0.00 3.22 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.55 0.00 27 E 8.24 4.10 0.00 2.18 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 2.41 2.53 0.00 28 T 7.57 3.87 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 -0.31 0.00 0.00 29 G 7.38 3.79 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 V 7.27 3.61 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 0.71 0.00 0.00 0.55 0.00 0.00 31 T 8.56 4.44 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 1.21 0.00 0.00 32 N 8.55 5.51 0.00 2.72 2.77 0.00 0.00 6.89 7.59 0.00 0.00 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 7.21 4.53 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 34 V 8.55 5.04 2.18 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 0.73 0.00 0.00 0.96 0.00 0.00 35 A 9.22 5.22 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 36 I 9.11 4.75 1.95 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 1.16 0.70 0.96 0.00 0.00 37 V 8.89 4.87 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 0.97 0.00 0.00 0.97 0.00 0.00 38 S 9.33 5.01 0.00 3.94 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 39 S 9.33 4.81 0.00 3.89 3.92 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 40 L 8.60 4.52 0.00 1.58 1.61 0.92 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 41 H 8.09 5.10 0.00 3.22 3.24 0.00 5.64 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 T 8.45 4.39 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 1.25 0.00 0.00 43 T 8.07 4.81 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 1.01 0.00 0.00 44 A 8.10 4.65 0.85 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 0.00 0.00 0.00 0.00 0.00 0.00 45 G 8.43 4.35 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 0.00 46 I 8.44 5.14 1.82 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 1.17 1.15 0.91 0.00 0.00 47 T 8.90 4.77 4.29 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 1.28 0.00 0.00 48 V 8.14 4.93 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 0.91 0.00 0.00 0.94 0.00 0.00 49 N 8.94 4.84 0.00 2.86 2.69 0.00 0.00 6.42 7.02 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 50 E 8.99 4.76 0.00 2.04 1.89 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 2.29 2.33 0.00 51 N 9.75 5.25 0.00 2.90 3.13 0.00 0.00 6.57 7.01 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 52 A 8.56 4.27 1.11 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 53 D 7.82 4.58 0.00 2.50 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 54 P 0.00 4.37 0.00 2.29 2.30 0.00 3.71 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.05 0.00 55 D 8.76 4.40 0.00 2.94 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 56 V 7.74 3.53 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 1.12 0.00 0.00 0.88 0.00 0.00 57 K 7.89 3.83 0.00 1.72 1.71 0.00 1.33 0.00 0.00 1.77 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.56 1.44 7.81 58 R 7.99 3.88 0.00 2.02 2.01 0.00 3.24 0.00 0.00 3.15 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.85 0.00 59 D 8.26 4.35 0.00 2.95 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 60 M 8.23 4.05 0.00 2.04 2.20 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.76 2.57 0.00 61 I 7.89 3.77 2.03 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.63 0.99 0.00 0.00 62 M 8.20 4.01 0.00 2.16 2.13 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 2.59 2.73 0.00 63 R 8.34 3.92 0.00 1.82 1.94 0.00 3.32 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.80 0.00 64 L 8.19 3.97 0.00 1.81 1.74 1.01 0.90 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 D 8.28 4.42 0.00 2.88 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.71 4.06 0.00 2.07 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 2.34 2.48 0.00 67 V 7.81 3.66 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 -0.08 0.00 0.00 0.83 0.00 0.00 68 Y 7.65 4.83 0.00 3.01 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 69 P 0.00 5.00 0.00 2.12 2.07 0.00 3.82 0.00 0.00 5.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.19 0.00 70 W 9.05 4.05 0.00 3.39 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 71 H 8.18 4.84 0.00 3.29 3.30 0.00 5.72 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 H 8.48 4.78 0.00 3.09 3.32 0.00 5.68 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 73 E 8.88 4.07 0.00 2.12 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 0.00 2.22 2.35 0.00 74 N 8.27 4.72 0.00 2.77 2.90 0.00 0.00 6.95 8.06 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 75 D 7.86 4.42 0.00 2.78 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 76 R 8.34 4.25 0.00 1.77 1.95 0.00 3.19 0.00 0.00 3.13 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.72 0.00 77 H 7.95 4.41 0.00 3.11 3.15 0.00 5.86 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 M 8.41 4.14 0.00 2.02 2.08 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.63 0.00 79 E 7.75 3.86 0.00 1.83 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 2.32 2.33 0.00 80 G 7.93 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 81 N 7.66 3.93 0.00 2.88 3.17 0.00 0.00 6.19 7.22 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 82 T 7.96 3.73 4.15 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 1.09 0.00 0.00 83 A 7.31 3.75 1.21 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 0.00 0.00 0.00 84 A 7.53 3.94 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 0.00 0.00 0.00 0.00 0.00 85 H 7.80 4.36 0.00 3.20 3.23 0.00 5.90 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 86 L 7.55 3.60 0.00 0.95 0.13 0.68 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 87 K 7.51 3.60 0.00 0.79 0.74 0.00 1.28 0.00 0.00 1.18 0.00 0.00 3.11 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.24 1.29 7.81 88 T 7.71 4.02 4.46 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 1.30 0.00 0.00 89 S 7.73 4.29 0.00 3.77 3.89 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 90 T 7.57 4.09 4.42 0.00 0.00 0.00 0.00 0.00 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 91 V 7.84 3.86 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 0.85 0.00 0.00 1.21 0.00 0.00 92 G 8.03 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 93 H 8.93 4.58 0.00 3.27 3.59 0.00 5.44 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 94 A 7.46 5.11 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 9.17 4.62 0.00 1.90 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.72 0.00 0.00 0.00 0.00 0.00 2.31 2.45 0.00 96 T 8.56 5.04 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 1.23 0.00 0.00 97 L 9.22 4.89 0.00 1.52 1.52 0.92 0.67 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 98 I 8.25 4.58 1.87 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 1.35 0.66 0.91 0.00 0.00 99 I 8.64 4.91 1.94 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.97 0.94 0.00 0.00 100 S 8.81 4.92 0.00 3.81 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 0.00 101 E 10.11 3.81 0.00 2.11 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 2.24 2.36 0.00 102 G 8.58 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 0.00 103 R 7.72 4.72 0.00 1.89 1.77 0.00 3.28 0.00 0.00 3.16 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.68 0.00 104 L 8.72 4.48 0.00 1.58 1.59 0.91 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 105 V 8.70 3.98 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 0.72 0.00 0.00 0.92 0.00 0.00 106 L 8.12 4.94 0.00 1.49 1.60 0.94 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 107 G 9.58 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 T 8.31 3.56 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 -0.27 0.00 0.00 109 W 7.80 5.30 0.00 3.51 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 0.00 110 Q 8.12 4.98 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.70 0.00 0.00 0.00 0.00 0.00 2.40 2.36 0.00 111 G 9.30 4.15 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 0.00 0.00 0.00 112 V 8.39 4.80 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 0.92 0.00 0.00 0.87 0.00 0.00 113 Y 8.99 5.18 0.00 2.95 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 0.00 114 F 9.07 4.40 0.00 2.80 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 0.00 115 C 8.37 4.52 0.00 2.45 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 E 8.80 4.23 0.00 2.25 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 2.34 2.54 0.00 117 F 8.52 5.25 0.00 3.13 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 0.00 118 D 8.87 4.91 0.00 2.82 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 0.00 119 G 8.56 4.41 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 0.00 120 P 0.00 4.93 0.00 2.10 2.15 0.00 3.69 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.98 0.00 121 R 8.96 4.87 0.00 1.74 1.80 0.00 3.14 0.00 0.00 3.24 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 122 T 8.61 4.51 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 0.00 123 N 8.60 4.08 0.00 2.80 2.75 0.00 0.00 6.99 7.66 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 0.00 124 R 7.68 4.29 0.00 1.73 1.90 0.00 3.03 0.00 0.00 3.13 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.98 0.00 125 K 9.02 5.29 0.00 1.68 1.61 0.00 1.56 0.00 0.00 1.80 0.00 0.00 2.38 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.28 1.57 7.81 126 F 8.73 5.62 0.00 3.31 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 0.00 127 V 9.21 5.03 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 0.74 0.00 0.00 1.09 0.00 0.00 128 V 8.94 4.99 2.42 0.00 0.00 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 1.17 0.00 0.00 129 K 9.35 5.29 0.00 1.99 1.74 0.00 1.77 0.00 0.00 1.75 0.00 0.00 3.01 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.41 1.53 7.81 130 L 9.16 5.28 0.00 1.53 1.54 0.55 0.93 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 0.00 131 L 9.00 4.91 0.00 1.57 1.57 0.95 0.44 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 0.00 132 T 8.45 4.86 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 1.16 0.00 0.00 133 D 8.85 4.61 0.00 2.59 2.61 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