NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 10 N 4.8955 8.4249 118.2287 53.0868 39.5927 176.1597 11 C 4.6329 8.1416 116.1351 54.8358 41.0907 175.6837 12 D 4.2682 9.5505 121.8485 55.2978 37.0235 172.4558 13 C 4.6388 7.7335 117.2958 56.1757 43.0752 174.4561 14 L 4.4147 8.8393 124.7446 53.5244 43.2750 175.6041 15 N 3.8545 9.2485 113.6250 54.4776 35.5748 175.8481 16 G 3.7855 8.3076 103.7794 45.2255 0.0000 174.5998 17 G 3.8038 7.6557 106.4496 46.3084 0.0000 173.6283 18 T 4.6007 8.2766 117.2042 61.1509 71.6690 172.8496 19 C 4.6283 8.8169 127.4488 56.7827 45.3106 172.9457 20 V 4.5706 8.2411 119.8737 59.2053 34.7213 175.4806 21 S 4.8461 8.4613 117.9726 57.7496 64.3710 173.2888 22 N 4.7183 8.9284 121.5089 53.6162 38.6288 175.2988 23 K 3.9054 8.9404 127.1064 58.6721 32.5377 176.7661 24 Y 4.5510 8.3259 114.8789 57.4698 39.8373 175.6395 25 F 4.8783 8.2500 118.0596 54.8884 41.5746 175.4429 26 S 4.1504 8.6423 119.9968 59.8394 63.2795 174.2805 27 N 4.3224 8.9078 118.6280 54.0390 35.9771 173.6021 28 I 4.6580 7.1836 117.5847 59.9997 40.0209 174.4826 29 H 5.6419 8.7267 121.1255 54.0944 33.0605 172.3065 30 W 5.4434 8.7886 116.2905 55.2554 32.2481 173.2803 31 C 4.8473 8.9263 118.5258 56.0517 40.9756 173.0307 32 N 4.7321 8.6709 124.9165 53.1782 39.2823 173.2034 33 C 5.2836 8.8126 124.1740 54.5317 43.4863 172.3199 34 P 4.5948 0.0000 0.0000 62.4015 31.5391 177.5361 35 K 4.0443 8.5892 118.6567 59.8476 32.7729 178.1708 36 K 4.0646 8.1143 117.4665 57.2591 32.3913 176.1743 37 F 5.2448 8.2164 117.5701 55.5474 42.0850 174.3042 38 G 4.1809 9.1537 111.6248 43.8652 0.0000 172.1180 39 G 4.3001 8.7972 104.7173 44.6179 0.0000 174.5466 40 Q 4.0208 8.6319 120.2256 58.6458 29.2715 177.0723 41 H 4.8300 8.9509 113.3790 54.9200 29.3531 173.2862 42 C 4.4677 8.0741 115.4626 58.1298 37.9093 174.0544 43 E 4.0345 8.4626 117.0041 57.2010 30.3085 175.6530 44 I 4.4087 7.8306 122.1239 59.6130 39.7687 174.3042 45 D 4.2112 8.8532 128.0227 53.3745 41.1577 176.8337 46 K 4.1759 8.7889 127.2806 57.8334 32.1924 178.3431 47 S 4.5174 7.8215 112.3351 58.1532 64.9172 174.8389 48 K 4.0375 7.9593 121.5164 56.8593 31.9934 176.7108 49 T 4.5645 8.4658 112.0330 61.4207 69.4909 171.8427 50 C 5.0661 7.9128 115.7182 55.0338 42.3101 172.1659 51 Y 5.1752 8.2380 116.8694 55.3802 40.8822 174.3789 52 E 4.8711 8.8982 119.2247 54.4200 32.7210 176.3016 53 G 3.8231 8.9075 112.0810 47.3261 0.0000 174.9200 54 N 5.0662 8.4180 122.6313 51.6373 37.8786 175.9838 55 G 3.9983 8.6460 107.7744 46.6918 0.0000 175.1784 56 H 3.9038 8.3813 121.7568 58.2630 29.6949 176.1125 57 F 4.8100 7.7830 114.5490 56.9207 39.4017 174.5527 58 Y 4.2287 7.7453 122.6516 58.6075 38.8580 176.3509 59 R 4.3658 7.7162 123.9156 55.7140 32.1360 175.9474 60 G 4.1107 5.3800 107.9668 44.9224 0.0000 174.6510 61 K 2.9410 8.0622 119.5180 55.3217 32.5168 176.4634 62 A 4.2279 8.1297 123.7097 53.1811 18.7596 179.4333 63 S 5.1391 8.4982 115.5170 58.5781 64.6175 173.2306 64 T 5.1638 8.0893 116.4272 62.5891 72.3374 173.7157 65 D 5.1980 9.2030 126.5038 52.5426 41.1882 177.4300 66 T 3.9064 8.5935 108.6994 64.2070 68.6966 175.0173 67 M 4.2679 8.2342 120.3991 55.0227 32.2449 176.3013 68 G 3.8811 8.3438 107.0558 46.1145 0.0000 173.5386 69 R 4.7935 8.4681 118.7778 53.2440 32.5942 174.1606 70 P 4.8651 0.0000 0.0000 62.7281 32.1006 176.9181 71 C 4.5869 8.8604 121.3125 57.1000 40.8141 173.7465 72 L 4.3082 8.7063 122.8012 53.7580 42.3793 175.6050 73 P 4.3568 0.0000 0.0000 62.2066 32.0374 177.8185 74 W 4.4498 8.8551 122.0492 58.7669 29.1058 177.3588 75 N 5.1339 7.9873 114.5280 52.2516 37.3626 175.4304 76 S 4.2760 7.7339 114.3273 58.2791 64.8676 174.5494 77 A 3.9320 8.5546 125.8566 56.0137 18.4381 179.8637 78 T 3.8496 7.7302 110.7574 65.2888 67.5304 176.5185 79 V 3.3556 7.4698 120.0244 65.6436 31.3343 177.8091 80 L 4.0906 7.7878 117.6719 56.7433 41.4563 178.2523 81 Q 4.3795 7.4095 115.7405 55.9932 29.3778 175.0509 82 Q 4.5659 7.9333 120.3855 54.3736 31.3152 175.4943 83 T 3.8775 8.6893 114.3999 66.6131 68.5042 174.6538 84 Y 4.8417 8.0162 118.7358 56.5251 39.4531 174.6775 85 H 5.1617 8.2922 118.4582 54.5556 31.2121 174.2439 86 A 4.3100 8.9631 122.7686 54.7108 18.1419 178.1598 87 H 4.8282 8.3325 111.0783 55.7113 29.6707 175.8460 88 R 4.1055 7.6200 120.5528 56.0080 30.4065 178.0603 89 S 4.1872 8.7216 115.9494 60.7985 63.3732 175.2337 90 D 4.8169 7.9585 119.6466 53.2934 39.5259 177.7942 91 A 3.9410 7.8502 125.3646 55.5586 18.2349 180.3354 92 L 3.8816 7.9203 120.7571 59.1652 42.1073 179.7270 93 Q 4.0612 8.0026 118.5667 59.8856 28.1290 179.4169 94 L 4.4529 7.7150 117.3866 54.5145 41.9665 177.6867 95 G 3.7181 7.5965 106.9574 45.7997 0.0000 173.2708 96 L 3.8627 7.8842 120.4406 52.7945 42.2727 175.9000 97 G 4.0038 7.6618 115.0056 44.7917 0.0000 172.2790 98 K 4.4511 8.4613 115.4277 54.0657 30.7147 174.6332 99 H 4.4622 7.2657 117.0586 55.0415 31.2012 174.2062 100 N 4.9599 7.8872 115.3919 52.4402 37.4516 173.9604 101 Y 5.2459 8.2121 115.2812 58.1812 39.7639 177.0978 102 C 4.6736 9.4084 121.2735 58.2217 37.4510 173.3874 103 R 4.5417 8.8972 121.5015 54.2236 34.7456 174.6805 104 N 4.6008 7.4103 114.2614 52.2892 38.9540 173.3972 105 P 4.1295 0.0000 0.0000 64.5913 32.2619 177.5050 106 D 4.7053 7.8507 116.7897 52.2880 39.6749 175.3162 107 N 3.9063 7.8053 115.5693 54.9596 36.4719 174.0542 108 R 4.2635 7.9834 115.9245 55.3587 31.5908 178.1124 109 R 4.1412 8.4038 114.5549 58.8466 29.6889 176.3874 110 R 4.8661 7.0232 109.6314 54.4506 32.4870 172.6917 111 P 4.5450 0.0000 0.0000 63.3602 32.7129 175.1481 112 W 5.7008 8.9232 118.6288 56.2847 32.2559 170.3529 113 C 5.1125 9.2585 113.5951 54.4569 41.2761 172.7159 114 Y 4.9839 7.9562 117.2150 57.9502 38.9470 174.9901 115 V 4.6542 8.9445 123.3282 60.8455 35.2677 174.3174 116 Q 4.4159 8.7860 128.5401 55.9853 29.5384 175.6259 117 V 4.2313 8.8273 128.2318 61.3073 33.7339 177.8584 118 G 3.9671 8.7152 119.4209 46.6899 0.0000 173.4992 119 L 4.1609 9.1465 122.0393 56.1525 42.2344 176.7538 120 K 4.8406 7.7220 116.8863 53.9789 35.8408 173.9643 121 P 4.9643 0.0000 0.0000 62.7765 32.2840 175.3670 122 L 4.9613 9.0612 123.5803 52.4441 45.5356 176.0212 123 V 3.9822 8.4971 122.8905 63.2723 32.0729 175.1639 124 Q 4.7071 9.1950 126.6876 53.8785 32.9967 174.9449 125 E 4.7115 8.7523 121.8776 56.6538 30.9121 177.0737 126 C 5.0653 8.6484 120.2751 56.1129 41.4844 174.1262 127 M 3.8995 8.8853 123.0500 58.2145 32.0840 177.1606 128 V 3.3960 7.4134 116.4211 63.1086 32.3570 174.5561 129 H 4.9469 8.3380 122.4210 54.0662 31.4802 173.6035 130 D 3.5165 8.1255 120.5250 53.9553 40.9883 177.0536 131 C 4.2718 8.8639 124.0386 59.4436 40.9551 173.9922 132 A 4.1159 8.2924 126.3115 52.2748 18.0509 176.9720 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 10 N 8.42 4.90 0.00 2.88 2.93 0.00 0.00 5.86 6.79 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 11 C 8.14 4.63 0.00 3.01 2.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 D 9.55 4.27 0.00 2.80 2.53 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 13 C 7.73 4.64 0.00 2.88 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 14 L 8.84 4.41 0.00 1.63 1.46 0.89 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 15 N 9.25 3.85 0.00 2.12 1.42 0.00 0.00 6.99 7.65 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 16 G 8.31 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 17 G 7.66 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 18 T 8.28 4.60 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 1.08 0.00 0.00 19 C 8.82 4.63 0.00 2.87 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 20 V 8.24 4.57 1.74 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 0.35 0.00 0.00 -0.62 0.00 0.00 21 S 8.46 4.85 0.00 3.89 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 22 N 8.93 4.72 0.00 3.01 3.14 0.00 0.00 7.09 6.32 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 23 K 8.94 3.91 0.00 1.49 0.74 0.00 1.67 0.00 0.00 1.38 0.00 0.00 2.92 0.00 0.00 2.87 0.00 0.00 0.00 0.00 0.93 1.25 7.81 24 Y 8.33 4.55 0.00 2.68 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 25 F 8.25 4.88 0.00 3.09 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 S 8.64 4.15 0.00 4.04 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 27 N 8.91 4.32 0.00 2.94 3.00 0.00 0.00 6.85 7.45 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 28 I 7.18 4.66 1.97 0.00 0.00 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.84 0.98 0.00 0.00 29 H 8.73 5.64 0.00 2.97 3.12 0.00 5.85 0.00 0.00 0.00 0.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 30 W 8.79 5.44 0.00 3.45 3.11 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 31 C 8.93 4.85 0.00 3.04 3.08 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 32 N 8.67 4.73 0.00 1.97 2.41 0.00 0.00 6.71 7.25 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 33 C 8.81 5.28 0.00 3.01 3.11 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 34 P 0.00 4.59 0.00 2.41 2.25 0.00 3.73 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.23 1.95 0.00 35 K 8.59 4.04 0.00 2.16 2.03 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.91 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.04 7.81 36 K 8.11 4.06 0.00 1.70 1.42 0.00 1.57 0.00 0.00 1.70 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.42 7.81 37 F 8.22 5.24 0.00 2.97 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 38 G 9.15 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 0.00 0.00 0.00 39 G 8.80 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 0.00 0.00 0.00 0.00 40 Q 8.63 4.02 0.00 2.05 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 7.19 0.00 0.00 0.00 0.00 0.00 2.08 2.52 0.00 41 H 8.95 4.83 0.00 3.31 3.38 0.00 5.82 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 42 C 8.07 4.47 0.00 3.25 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 43 E 8.46 4.03 0.00 2.10 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 0.00 2.32 2.33 0.00 44 I 7.83 4.41 1.94 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 1.22 1.09 0.88 0.00 0.00 45 D 8.85 4.21 0.00 2.65 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 46 K 8.79 4.18 0.00 1.59 1.76 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.95 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.42 1.46 7.81 47 S 7.82 4.52 0.00 3.85 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 48 K 7.96 4.04 0.00 2.01 1.85 0.00 1.74 0.00 0.00 2.21 0.00 0.00 3.14 0.00 0.00 3.23 0.00 0.00 0.00 0.00 1.49 1.48 7.81 49 T 8.47 4.56 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 1.27 0.00 0.00 50 C 7.91 5.07 0.00 3.01 3.02 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 51 Y 8.24 5.18 0.00 3.10 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 52 E 8.90 4.87 0.00 2.05 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 2.32 2.33 0.00 53 G 8.91 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 54 N 8.42 5.07 0.00 3.04 3.08 0.00 0.00 6.68 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 55 G 8.65 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 56 H 8.38 3.90 0.00 3.16 2.83 0.00 5.91 0.00 0.00 0.00 0.00 7.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 F 7.78 4.81 0.00 3.12 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 58 Y 7.75 4.23 0.00 3.03 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 59 R 7.72 4.37 0.00 1.78 1.91 0.00 3.30 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.56 0.00 60 G 5.38 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 61 K 8.06 2.94 0.00 1.40 1.15 0.00 1.62 0.00 0.00 1.59 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.38 1.16 7.81 62 A 8.13 4.23 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 63 S 8.50 5.14 0.00 4.20 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 0.00 64 T 8.09 5.16 4.27 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 1.23 0.00 0.00 65 D 9.20 5.20 0.00 2.90 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 66 T 8.59 3.91 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 1.28 0.00 0.00 67 M 8.23 4.27 0.00 2.03 2.23 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.56 2.47 0.00 68 G 8.34 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 69 R 8.47 4.79 0.00 2.00 1.84 0.00 3.14 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.56 0.00 70 P 0.00 4.87 0.00 2.07 2.07 0.00 3.78 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 2.00 0.00 71 C 8.86 4.59 0.00 2.99 2.92 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 72 L 8.71 4.31 0.00 1.48 1.49 0.92 0.97 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 73 P 0.00 4.36 0.00 2.19 1.90 0.00 3.52 0.00 0.00 3.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.04 0.00 74 W 8.86 4.45 0.00 3.58 3.27 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 75 N 7.99 5.13 0.00 2.80 2.91 0.00 0.00 6.09 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 76 S 7.73 4.28 0.00 4.07 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 77 A 8.55 3.93 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 78 T 7.73 3.85 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 1.13 0.00 0.00 79 V 7.47 3.36 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 1.17 0.00 0.00 0.83 0.00 0.00 80 L 7.79 4.09 0.00 1.79 1.58 0.82 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 7.41 4.38 0.00 2.12 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.66 0.00 0.00 0.00 0.00 0.00 2.28 2.45 0.00 82 Q 7.93 4.57 0.00 1.80 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.87 6.96 0.00 0.00 0.00 0.00 0.00 2.07 1.43 0.00 83 T 8.69 3.88 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 0.40 0.00 0.00 84 Y 8.02 4.84 0.00 3.66 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.29 5.16 0.00 3.61 3.77 0.00 5.65 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 A 8.96 4.31 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 87 H 8.33 4.83 0.00 3.24 3.40 0.00 5.73 0.00 0.00 0.00 0.00 7.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 R 7.62 4.11 0.00 1.88 2.04 0.00 3.28 0.00 0.00 3.25 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.26 0.00 89 S 8.72 4.19 0.00 3.98 4.01 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 90 D 7.96 4.82 0.00 2.88 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 91 A 7.85 3.94 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 92 L 7.92 3.88 0.00 1.69 1.61 0.84 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.00 4.06 0.00 2.19 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.75 0.00 0.00 0.00 0.00 0.00 2.28 2.03 0.00 94 L 7.71 4.45 0.00 1.48 1.50 1.10 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.60 3.72 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 0.00 0.00 0.00 96 L 7.88 3.86 0.00 1.42 1.24 0.83 -0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 97 G 7.66 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 98 K 8.46 4.45 0.00 1.78 1.80 0.00 1.82 0.00 0.00 1.80 0.00 0.00 2.89 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.46 7.81 99 H 7.27 4.46 0.00 1.98 3.04 0.00 5.59 0.00 0.00 0.00 0.00 6.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 N 7.89 4.96 0.00 2.92 2.77 0.00 0.00 5.99 7.55 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 0.00 101 Y 8.21 5.25 0.00 2.98 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 0.00 102 C 9.41 4.67 0.00 2.95 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 0.00 103 R 8.90 4.54 0.00 0.92 1.31 0.00 3.23 0.00 0.00 3.15 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.23 0.00 104 N 7.41 4.60 0.00 2.55 2.59 0.00 0.00 6.67 7.71 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 0.00 105 P 0.00 4.13 0.00 1.52 1.71 0.00 3.00 0.00 0.00 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 1.13 0.00 106 D 7.85 4.71 0.00 2.87 2.85 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 0.00 107 N 7.81 3.91 0.00 2.63 2.80 0.00 0.00 7.10 8.24 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 0.00 108 R 7.98 4.26 0.00 2.16 1.85 0.00 2.53 0.00 0.00 3.12 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.98 0.00 109 R 8.40 4.14 0.00 2.00 2.19 0.00 3.01 0.00 0.00 3.38 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.61 0.00 110 R 7.02 4.87 0.00 1.17 1.75 0.00 3.10 0.00 0.00 3.23 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.41 0.00 111 P 0.00 4.55 0.00 1.74 1.82 0.00 2.26 0.00 0.00 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 1.74 0.00 112 W 8.92 5.70 0.00 3.42 3.06 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 0.00 0.00 0.00 113 C 9.26 5.11 0.00 2.68 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 0.00 114 Y 7.96 4.98 0.00 2.83 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 0.00 115 V 8.94 4.65 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 1.00 0.00 0.00 0.96 0.00 0.00 116 Q 8.79 4.42 0.00 2.08 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.57 6.69 0.00 0.00 0.00 0.00 0.00 2.33 2.53 0.00 117 V 8.83 4.23 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 0.93 0.00 0.00 1.01 0.00 0.00 118 G 8.72 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 0.00 119 L 9.15 4.16 0.00 1.62 1.73 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 120 K 7.72 4.84 0.00 1.74 1.86 0.00 1.30 0.00 0.00 1.69 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.30 1.34 7.81 121 P 0.00 4.96 0.00 2.00 2.03 0.00 3.66 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.86 0.00 122 L 9.06 4.96 0.00 1.58 1.57 0.93 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 123 V 8.50 3.98 1.76 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 -0.25 0.00 0.00 0.36 0.00 0.00 124 Q 9.19 4.71 0.00 1.98 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.54 6.74 0.00 0.00 0.00 0.00 0.00 2.49 2.47 0.00 125 E 8.75 4.71 0.00 1.94 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 2.42 2.33 0.00 126 C 8.65 5.07 0.00 3.03 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 0.00 127 M 8.89 3.90 0.00 1.93 2.28 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 2.61 2.44 0.00 128 V 7.41 3.40 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 0.69 0.00 0.00 0.72 0.00 0.00 129 H 8.34 4.95 0.00 3.07 3.11 0.00 5.67 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 0.00 130 D 8.13 3.52 0.00 2.27 2.36 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 0.00 131 C 8.86 4.27 0.00 2.79 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 0.00 132 A 8.29 4.12 1.23 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