NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4970 8.1776 115.4155 57.7592 64.5920 174.4240 3 V 3.3157 8.0681 121.4936 64.7566 30.6651 176.8388 4 Y 4.0558 8.4451 117.5148 60.7006 38.1075 178.4397 5 D 4.5255 7.9405 119.6027 56.8774 40.9301 178.6071 6 A 3.9697 7.9669 121.1812 55.1482 18.4179 179.5017 7 A 3.8123 7.9378 119.0810 55.2057 18.1989 179.5994 8 A 4.0262 7.3911 116.7574 54.7214 18.4980 179.0228 9 Q 4.2600 7.8508 115.0305 56.4124 30.1133 177.1684 10 L 4.2150 7.4347 121.8203 53.5462 40.1816 176.8932 11 T 4.1469 7.6332 114.5288 60.6138 71.4176 175.0423 12 A 3.9493 8.3755 121.7980 55.6819 18.2983 179.5493 13 D 4.3303 7.9944 116.7794 57.1958 40.8946 179.0439 14 V 3.5031 7.3910 117.6340 65.8626 31.4501 178.2677 15 K 3.8510 8.0120 118.2770 59.1591 31.8600 179.2299 16 K 3.9314 7.9636 119.7958 59.7891 32.1677 178.6498 17 D 4.7440 8.3021 119.1516 57.2401 40.6532 178.8373 18 L 3.7864 7.9644 119.6808 57.8205 41.5990 179.7983 19 R 4.0803 8.2270 118.1082 59.3854 29.6617 178.8150 20 D 4.4829 8.7232 119.3931 57.4868 40.7802 179.1334 21 S 2.9335 8.1602 114.7621 60.7515 62.9810 176.2533 22 W 4.2727 8.6007 132.0781 60.0471 30.1881 177.6303 23 K 3.5228 7.9919 119.0290 59.0763 31.8838 178.3669 24 V 3.8365 6.9228 114.8755 65.2395 32.0323 178.0371 25 I 3.5542 7.6412 119.8483 64.3129 36.9490 178.1445 26 G 2.3346 7.0921 106.5529 45.9135 0.0000 174.7273 27 S 4.0509 7.2309 116.3014 60.6114 63.4839 174.1493 28 D 4.7733 7.1953 118.2994 51.1911 40.8734 175.6882 29 K 3.7600 7.9752 123.1265 58.8900 32.4723 178.3743 30 K 4.0082 7.9591 119.2696 59.4250 32.3601 178.9020 31 G 3.9637 8.0557 106.6771 47.6157 0.0000 175.2609 32 N 4.4663 8.4988 119.9424 55.3181 38.4617 178.0122 33 G 3.4986 8.1029 107.5067 47.8572 0.0000 176.0753 34 V 3.6691 8.0547 122.2915 64.8694 31.4749 177.9441 35 A 3.9863 7.8528 122.0133 54.2308 18.1701 179.3418 36 L 3.7085 7.8151 118.8328 58.6120 42.2383 179.2054 37 M 3.5198 7.7782 118.7914 58.3983 31.9572 178.9491 38 T 3.9868 8.0328 110.1978 65.1188 68.8067 176.8018 39 T 3.9577 7.7917 118.6383 65.9443 68.3225 176.4875 40 L 3.7847 7.5046 122.3382 58.3354 42.2038 179.2607 41 F 4.4900 7.6174 117.2134 60.2821 38.5195 177.6579 42 A 4.1759 7.8166 120.1001 55.0481 18.4245 178.9060 43 D 4.6228 8.2487 115.8518 55.4146 42.6625 176.8507 44 N 5.2394 8.2543 115.9694 49.0154 39.4243 174.6048 45 Q 4.2483 8.5468 121.9633 58.3515 28.8407 178.7864 46 E 4.0837 8.3406 117.9408 59.2335 29.4923 178.6419 47 T 4.4513 8.4742 110.3728 63.7018 69.1700 176.6610 48 I 3.8806 8.0182 123.5420 64.3413 36.7994 178.2368 49 G 3.5239 8.0206 107.5774 48.4367 0.0000 174.0466 50 Y 4.2993 7.7638 116.3374 59.6903 38.2068 176.1736 51 F 4.9430 8.2623 118.9771 56.9318 39.8887 177.7732 52 K 3.8328 8.4491 123.0183 59.8302 31.9124 179.0335 53 R 3.9699 8.1352 116.8704 59.2789 29.9402 177.3043 54 L 4.1859 8.1951 117.1128 55.5684 42.6850 179.0846 55 G 3.8226 7.9083 106.0920 46.1230 0.0000 176.1891 56 D 4.4974 8.4161 120.5130 53.5881 40.6218 176.9308 57 V 3.7224 7.9894 127.3903 63.7339 31.4130 177.7626 58 S 4.3128 7.9100 113.7148 60.6293 63.0605 175.9019 59 Q 4.0944 8.0958 121.8246 56.8570 28.6977 177.3097 60 G 3.9089 8.4648 108.5414 46.1953 0.0000 176.3728 61 M 3.8838 9.0250 121.8310 58.4210 31.9778 177.2736 62 A 3.9973 7.5663 120.3117 54.1200 18.8446 177.3031 63 N 4.5815 8.3529 115.5359 52.8020 39.2562 174.9959 64 D 4.3844 8.7058 129.0841 57.5887 41.0542 179.0611 65 K 3.9969 8.0970 118.2736 59.3649 32.0770 178.9958 66 L 4.0211 8.5131 120.8354 58.2033 41.9977 179.0468 67 R 3.9939 8.4068 119.0327 59.0937 30.0119 178.6813 68 G 3.6607 8.2690 105.8652 47.9007 0.0000 175.8452 69 V 3.6860 7.8947 121.2705 65.5642 31.2790 178.0593 70 S 4.1129 8.3020 115.0712 61.8076 62.6083 176.8603 71 I 3.8430 7.9053 122.1334 64.8858 36.7859 178.6638 72 T 4.0914 7.9964 116.4716 66.5970 68.2189 176.3717 73 L 3.9611 8.4171 122.7012 58.5144 42.0684 179.0355 74 M 4.2217 7.9579 118.4556 58.4529 31.9606 177.9810 75 Y 4.0699 7.8602 116.0165 59.8329 38.0995 177.6858 76 A 3.7636 7.7580 122.5353 54.6112 18.5422 179.6116 77 L 3.6155 7.3764 117.0750 57.5413 41.7313 179.1447 78 Q 3.4345 7.8148 119.6269 58.9399 28.7617 177.8804 79 N 4.2694 7.4589 116.5004 56.7656 39.4204 176.4046 80 F 4.6342 7.5478 118.9225 60.7827 39.0190 177.5808 81 I 3.5292 7.5436 119.2223 64.6755 36.6880 178.3258 82 D 4.4702 7.9750 117.8345 56.7886 40.9556 177.8491 83 Q 4.3898 7.7990 116.6337 56.0521 28.8364 177.3648 84 L 3.9989 7.5743 121.0196 57.8444 41.6360 178.2276 85 D 4.3368 8.0842 117.7878 56.1237 41.1751 175.9165 86 N 4.8181 7.9357 117.4945 50.9502 40.5529 172.7673 87 P 4.2084 0.0000 0.0000 65.9305 31.3188 178.3379 88 D 4.4068 8.4284 117.6442 57.2410 40.7096 178.4346 89 D 4.3982 8.0686 119.1003 56.7667 40.9624 178.2707 90 L 3.9315 8.0963 121.0810 58.1375 42.1386 179.1517 91 V 3.4295 7.8717 118.3594 66.2017 31.6184 177.7420 92 C 4.2759 7.8065 114.2400 61.3328 29.3356 176.0621 93 V 3.6621 7.8583 120.7467 65.6662 31.0612 178.2614 94 V 3.7809 8.1844 118.3991 66.1364 31.3888 177.8510 95 E 3.8961 8.7010 118.7062 59.2079 28.8819 179.2733 96 K 3.8692 7.9424 119.2943 59.6086 31.8715 178.9722 97 F 4.3388 8.2196 117.7769 60.3116 38.8051 177.5837 98 A 3.9971 8.3957 121.0011 54.9649 18.1543 179.4861 99 V 3.5094 7.8612 116.8389 66.6592 31.2832 178.1726 100 N 4.4086 7.8946 114.3015 56.3887 38.2649 177.0844 101 H 4.3230 7.9182 116.5330 58.3576 28.9521 177.6624 102 I 3.6796 8.2139 122.1652 64.8552 36.7551 178.4625 103 T 4.0561 7.6775 115.1242 66.3658 68.2597 175.7158 104 R 4.3227 7.1166 117.3815 54.7976 30.6228 176.2886 105 K 3.8410 8.2803 117.3073 57.4655 30.1280 175.5835 106 I 4.0220 7.5635 119.3121 59.9861 38.2680 177.2880 107 S 4.5633 8.3453 120.5353 57.1753 65.8102 174.8845 108 A 3.9933 8.4495 123.2587 55.3068 17.8085 179.7842 109 A 4.0086 7.9034 118.0144 55.1546 18.8531 179.0598 110 E 4.0846 8.1423 117.4488 59.4750 29.6864 178.7294 111 F 4.1176 8.7504 121.3055 61.2171 39.4603 176.9238 112 G 3.8806 8.4221 104.2210 46.4764 0.0000 175.2112 113 K 4.1926 8.0120 120.8104 58.6869 32.0766 178.2120 114 M 4.1468 7.7236 118.3027 57.4875 32.0409 177.5601 115 N 4.4733 8.2059 117.1995 56.3790 38.6552 177.2487 116 G 3.5889 7.6654 105.8936 47.4236 0.0000 173.8301 117 P 4.2012 0.0000 0.0000 65.1261 31.3338 178.7330 118 I 3.4980 7.7116 118.4371 64.1772 36.9819 178.3702 119 K 3.9310 8.2335 120.5632 59.4023 32.0144 179.0633 120 K 3.9505 8.1136 118.7110 59.5462 31.8065 179.6042 121 V 3.5539 7.7959 117.5785 65.6110 31.6312 177.5246 122 L 4.0553 8.0535 120.0688 58.2218 42.0264 178.8885 123 A 4.2755 8.4297 122.2520 54.5604 18.0750 179.6110 124 S 4.2160 8.0785 111.6925 60.3981 62.9610 175.8395 125 K 4.4454 7.6734 120.7890 55.8034 32.4345 175.9338 126 N 4.2174 7.9271 114.4545 53.8853 36.1254 173.8314 127 F 4.5616 7.9126 117.8111 55.8718 40.6324 175.9569 128 G 4.4138 8.6683 114.6901 44.0581 0.0000 172.3734 129 D 4.4929 8.9242 118.7105 57.6435 40.6214 178.6303 130 K 3.7513 8.2010 119.3013 60.0302 31.9598 178.2079 131 Y 4.1352 8.0547 115.9018 60.9336 38.0433 177.6016 132 A 4.1801 8.2801 121.7527 55.5064 18.5691 179.4967 133 N 4.3994 8.6944 114.9746 56.1580 38.3524 177.5752 134 A 3.9480 7.7785 122.5129 55.0595 18.5245 179.8074 135 W 3.7464 8.6810 117.4496 59.5963 29.0829 178.6871 136 A 4.1404 8.2195 121.0053 54.9659 17.5357 179.8291 137 K 3.8983 7.7230 116.0542 59.4045 32.4767 179.0314 138 L 3.8916 7.5043 120.4590 58.1331 41.9547 179.1230 139 V 3.7157 7.9703 117.9671 66.0556 31.3939 177.7907 140 A 4.2987 8.0518 121.8406 54.4514 17.8971 179.7545 141 V 3.3859 7.2357 116.0817 66.1332 31.8218 178.1824 142 V 3.4740 7.3570 117.4795 65.9080 31.2978 177.8166 143 Q 3.7956 8.1530 117.8087 58.8224 28.3012 178.6695 144 A 3.9591 7.9759 120.5305 54.1166 18.4485 178.4140 145 A 4.3121 7.5614 117.1621 52.1784 19.5072 177.1038 146 L 4.1085 7.4259 122.6893 54.6764 41.8484 176.4998 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 S 8.18 4.50 0.00 4.19 4.14 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 3 V 8.07 3.32 1.84 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 -0.06 0.00 0.00 0.71 0.00 0.00 4 Y 8.45 4.06 0.00 2.96 3.07 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 0.00 5 D 7.94 4.53 0.00 2.83 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 6 A 7.97 3.97 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.94 3.81 1.29 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 0.00 0.00 0.00 8 A 7.39 4.03 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Q 7.85 4.26 0.00 2.10 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 7.29 0.00 0.00 0.00 0.00 0.00 2.66 2.51 0.00 10 L 7.43 4.21 0.00 1.66 1.53 0.78 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 11 T 7.63 4.15 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 1.18 0.00 0.00 12 A 8.38 3.95 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 13 D 7.99 4.33 0.00 2.67 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 14 V 7.39 3.50 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 0.91 0.00 0.00 0.87 0.00 0.00 15 K 8.01 3.85 0.00 1.97 1.79 0.00 1.67 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.37 1.64 7.81 16 K 7.96 3.93 0.00 2.02 1.97 0.00 1.57 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.48 1.79 7.81 17 D 8.30 4.74 0.00 2.82 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 18 L 7.96 3.79 0.00 1.70 1.32 0.56 -0.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 19 R 8.23 4.08 0.00 2.05 2.06 0.00 3.16 0.00 0.00 3.21 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 20 D 8.72 4.48 0.00 2.89 2.91 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 21 S 8.16 2.93 0.00 3.32 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 22 W 8.60 4.27 0.00 3.85 3.41 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 23 K 7.99 3.52 0.00 2.01 2.03 0.00 1.89 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.47 7.81 24 V 6.92 3.84 2.29 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 1.05 0.00 0.00 1.11 0.00 0.00 25 I 7.64 3.55 1.59 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 0.63 0.61 0.00 0.00 26 G 7.09 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 0.00 0.00 0.00 27 S 7.23 4.05 0.00 3.90 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 28 D 7.20 4.77 0.00 2.68 2.37 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 29 K 7.98 3.76 0.00 1.73 1.69 0.00 1.24 0.00 0.00 0.62 0.00 0.00 2.30 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.25 1.39 7.81 30 K 7.96 4.01 0.00 1.83 1.78 0.00 1.73 0.00 0.00 1.84 0.00 0.00 2.96 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.51 7.81 31 G 8.06 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 0.00 0.00 0.00 32 N 8.50 4.47 0.00 2.72 2.73 0.00 0.00 6.99 7.33 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 33 G 8.10 3.50 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 0.00 34 V 8.05 3.67 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 1.19 0.00 0.00 0.95 0.00 0.00 35 A 7.85 3.99 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 36 L 7.82 3.71 0.00 1.96 1.57 0.76 0.73 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 37 M 7.78 3.52 0.00 1.74 1.94 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.49 2.71 0.00 38 T 8.03 3.99 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 1.30 0.00 0.00 39 T 7.79 3.96 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 1.15 0.00 0.00 40 L 7.50 3.78 0.00 1.45 1.18 0.85 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 41 F 7.62 4.49 0.00 3.10 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 42 A 7.82 4.18 1.34 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 43 D 8.25 4.62 0.00 2.70 2.74 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 44 N 8.25 5.24 0.00 2.95 2.90 0.00 0.00 7.14 9.08 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 45 Q 8.55 4.25 0.00 2.09 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.89 0.00 0.00 0.00 0.00 0.00 2.63 2.28 0.00 46 E 8.34 4.08 0.00 2.18 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 0.00 2.47 2.39 0.00 47 T 8.47 4.45 4.73 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 1.46 0.00 0.00 48 I 8.02 3.88 1.92 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 1.11 0.78 0.71 0.00 0.00 49 G 8.02 3.52 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 0.00 0.00 0.00 0.00 50 Y 7.76 4.30 0.00 2.85 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 51 F 8.26 4.94 0.00 3.12 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 52 K 8.45 3.83 0.00 1.82 1.90 0.00 1.68 0.00 0.00 1.73 0.00 0.00 2.81 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.53 1.70 7.81 53 R 8.14 3.97 0.00 1.80 2.05 0.00 3.27 0.00 0.00 3.26 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 54 L 8.20 4.19 0.00 1.94 1.74 1.12 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 55 G 7.91 3.82 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 0.00 0.00 0.00 56 D 8.42 4.50 0.00 2.74 2.58 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 0.00 0.00 0.00 0.00 57 V 7.99 3.72 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 0.44 0.00 0.00 0.44 0.00 0.00 58 S 7.91 4.31 0.00 4.08 4.02 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 0.00 0.00 0.00 59 Q 8.10 4.09 0.00 2.19 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 5.84 0.00 0.00 0.00 0.00 0.00 2.60 2.51 0.00 60 G 8.46 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 61 M 9.02 3.88 0.00 1.96 2.13 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.62 0.00 62 A 7.57 4.00 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 63 N 8.35 4.58 0.00 2.75 2.86 0.00 0.00 7.01 8.31 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 64 D 8.71 4.38 0.00 2.74 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 65 K 8.10 4.00 0.00 1.98 1.91 0.00 1.70 0.00 0.00 1.86 0.00 0.00 2.93 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.52 7.81 66 L 8.51 4.02 0.00 1.78 1.86 1.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 67 R 8.41 3.99 0.00 2.10 2.04 0.00 3.16 0.00 0.00 3.39 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.66 0.00 68 G 8.27 3.66 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 0.00 0.00 0.00 69 V 7.89 3.69 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 1.25 0.00 0.00 1.13 0.00 0.00 70 S 8.30 4.11 0.00 4.06 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 I 7.91 3.84 1.97 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.57 1.16 0.00 0.00 72 T 8.00 4.09 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 1.32 0.00 0.00 73 L 8.42 3.96 0.00 1.82 1.87 0.87 0.80 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 74 M 7.96 4.22 0.00 2.02 2.19 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.89 0.00 75 Y 7.86 4.07 0.00 3.18 3.07 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 0.00 76 A 7.76 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.38 3.62 0.00 1.43 1.23 0.96 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 78 Q 7.81 3.43 0.00 2.44 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.79 0.00 0.00 0.00 0.00 0.00 2.55 2.52 0.00 79 N 7.46 4.27 0.00 2.94 2.78 0.00 0.00 7.30 6.84 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 80 F 7.55 4.63 0.00 3.05 2.79 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 81 I 7.54 3.53 1.63 0.00 0.00 0.48 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 -0.12 0.86 0.00 0.00 82 D 7.97 4.47 0.00 2.83 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 83 Q 7.80 4.39 0.00 2.24 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.75 0.00 0.00 0.00 0.00 0.00 2.72 2.63 0.00 84 L 7.57 4.00 0.00 1.66 1.69 0.78 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 85 D 8.08 4.34 0.00 2.67 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 86 N 7.94 4.82 0.00 2.73 2.76 0.00 0.00 7.16 7.98 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 87 P 0.00 4.21 0.00 2.20 2.09 0.00 3.65 0.00 0.00 3.96 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 88 D 8.43 4.41 0.00 2.92 2.74 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 89 D 8.07 4.40 0.00 2.83 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 90 L 8.10 3.93 0.00 1.89 1.78 0.80 0.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 91 V 7.87 3.43 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 0.51 0.00 0.00 0.80 0.00 0.00 92 C 7.81 4.28 0.00 3.15 3.19 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.86 3.66 2.47 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 1.54 0.00 0.00 1.12 0.00 0.00 94 V 8.18 3.78 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 0.54 0.00 0.00 95 E 8.70 3.90 0.00 2.02 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 2.23 2.31 0.00 96 K 7.94 3.87 0.00 1.79 1.82 0.00 1.39 0.00 0.00 1.52 0.00 0.00 2.85 0.00 0.00 2.72 0.00 0.00 0.00 0.00 1.14 0.99 7.81 97 F 8.22 4.34 0.00 3.54 3.28 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 98 A 8.40 4.00 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 V 7.86 3.51 2.29 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 1.01 0.00 0.00 0.95 0.00 0.00 100 N 7.89 4.41 0.00 2.89 2.86 0.00 0.00 7.13 8.04 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 0.00 101 H 7.92 4.32 0.00 3.46 3.41 0.00 5.82 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 102 I 8.21 3.68 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 1.50 0.85 0.90 0.00 0.00 103 T 7.68 4.06 4.38 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 0.00 0.00 0.00 1.21 0.00 0.00 104 R 7.12 4.32 0.00 1.72 1.86 0.00 3.20 0.00 0.00 3.15 7.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.85 0.00 105 K 8.28 3.84 0.00 1.90 1.92 0.00 1.72 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.40 1.41 7.81 106 I 7.56 4.02 1.97 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.69 0.92 0.00 0.00 107 S 8.35 4.56 0.00 4.07 4.02 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 0.00 0.00 0.00 108 A 8.45 3.99 1.36 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 0.00 109 A 7.90 4.01 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 0.00 110 E 8.14 4.08 0.00 2.16 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 0.00 2.23 2.47 0.00 111 F 8.75 4.12 0.00 3.25 3.18 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 0.00 112 G 8.42 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 0.00 0.00 0.00 113 K 8.01 4.19 0.00 1.95 1.88 0.00 1.76 0.00 0.00 1.65 0.00 0.00 2.95 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.50 1.75 7.81 114 M 7.72 4.15 0.00 1.84 1.74 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.41 0.00 115 N 8.21 4.47 0.00 2.95 2.88 0.00 0.00 6.71 7.74 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 0.00 116 G 7.67 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 P 0.00 4.20 0.00 2.15 2.14 0.00 3.64 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 1.99 2.09 0.00 118 I 7.71 3.50 1.95 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 1.16 0.56 0.62 0.00 0.00 119 K 8.23 3.93 0.00 1.90 2.00 0.00 1.65 0.00 0.00 1.67 0.00 0.00 2.99 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.46 1.53 7.81 120 K 8.11 3.95 0.00 1.96 1.80 0.00 1.69 0.00 0.00 1.55 0.00 0.00 2.89 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.44 1.59 7.81 121 V 7.80 3.55 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 0.67 0.00 0.00 0.86 0.00 0.00 122 L 8.05 4.06 0.00 2.10 1.71 0.57 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 123 A 8.43 4.28 1.42 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 0.00 0.00 0.00 124 S 8.08 4.22 0.00 4.02 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 0.00 125 K 7.67 4.45 0.00 2.06 1.92 0.00 1.78 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.57 1.59 7.81 126 N 7.93 4.22 0.00 2.60 2.66 0.00 0.00 6.75 6.96 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 0.00 127 F 7.91 4.56 0.00 3.16 2.79 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 0.00 128 G 8.67 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 0.00 129 D 8.92 4.49 0.00 2.82 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 0.00 130 K 8.20 3.75 0.00 1.73 1.68 0.00 1.56 0.00 0.00 1.36 0.00 0.00 2.91 0.00 0.00 2.83 0.00 0.00 0.00 0.00 0.87 1.32 7.81 131 Y 8.05 4.14 0.00 3.41 3.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 A 8.28 4.18 1.46 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 0.00 0.00 0.00 133 N 8.69 4.40 0.00 2.98 2.88 0.00 0.00 6.87 8.98 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 0.00 134 A 7.78 3.95 1.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 W 8.68 3.75 0.00 3.60 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 0.00 136 A 8.22 4.14 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 0.00 137 K 7.72 3.90 0.00 1.93 1.81 0.00 1.68 0.00 0.00 1.60 0.00 0.00 2.95 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.57 1.54 7.81 138 L 7.50 3.89 0.00 1.39 1.64 0.59 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 139 V 7.97 3.72 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 1.26 0.00 0.00 1.15 0.00 0.00 140 A 8.05 4.30 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 141 V 7.24 3.39 1.99 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 0.60 0.00 0.00 0.81 0.00 0.00 142 V 7.36 3.47 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 0.28 0.00 0.00 0.66 0.00 0.00 143 Q 8.15 3.80 0.00 2.26 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.57 0.00 0.00 0.00 0.00 0.00 2.59 2.65 0.00 144 A 7.98 3.96 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 0.00 145 A 7.56 4.31 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 7.43 4.11 0.00 1.67 1.50 0.47 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00