NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4023 8.3344 115.2906 58.2558 64.6855 174.6682 2 N 4.2822 6.8811 117.9190 55.6897 40.3685 175.6137 3 I 3.6028 8.6579 119.1212 64.1275 39.2986 175.7482 4 I 4.2666 7.3358 118.4633 61.6748 38.1925 173.6769 5 K 4.1158 8.7394 124.2324 58.7828 31.7347 178.4183 6 Q 4.0289 7.5249 116.3595 59.1690 28.8634 178.0619 7 L 4.4065 7.4315 120.5813 57.1024 42.2586 178.2286 8 E 4.0631 8.0585 119.6222 59.0844 29.4728 178.2129 9 Q 4.0646 9.2335 118.2365 58.5512 28.4242 177.8424 10 E 3.9997 8.2797 121.5331 58.3495 29.3905 177.4911 11 Q 4.4456 8.0057 115.7832 55.9958 30.9758 175.9643 12 M 3.7948 7.1451 116.9406 55.4207 32.5184 175.7377 13 K 4.6493 8.1681 119.7037 55.4946 35.2463 175.8634 14 Q 4.5441 8.4090 117.2760 55.9702 29.2993 175.9788 15 D 4.4411 7.9393 116.3925 54.8456 41.5507 176.3812 16 V 3.8106 7.4474 112.5402 60.5582 31.6050 174.2584 17 P 4.5138 0.0000 0.0000 61.5171 33.3087 175.7086 18 S 4.2666 8.3265 112.1701 59.4042 62.6721 173.4306 19 F 5.3732 7.8186 120.8443 57.4312 42.6687 173.6355 20 R 4.3896 7.3850 119.9949 55.9622 31.9137 172.9590 21 P 4.4282 0.0000 0.0000 63.5658 31.3543 176.8017 22 G 3.9502 7.4190 107.0050 45.7801 0.0000 173.5623 23 D 4.5898 7.8180 119.5067 55.2721 41.4728 177.3839 24 T 4.1207 8.8179 117.1188 65.7982 69.5472 175.2899 25 V 3.5357 7.6539 118.0420 60.9124 31.5973 171.2275 26 E 4.9634 7.9715 120.6256 54.0712 29.9462 173.5625 27 V 3.8987 8.2724 123.1340 62.7043 33.0748 174.6210 28 K 4.7927 8.5864 126.1985 54.9697 34.6958 175.8308 29 V 5.3226 8.4309 118.5156 58.4743 34.8444 175.6992 30 W 5.1333 8.5034 122.5113 57.1772 29.6286 176.2627 31 V 4.3341 8.1917 116.3027 62.0272 34.6654 175.7863 32 V 3.5737 7.9064 123.7596 62.0821 31.4799 171.4874 33 E 3.6446 7.8063 120.6541 57.0424 28.5410 173.1443 34 G 3.5382 8.4906 104.6578 46.1059 0.0000 173.2408 35 S 4.6130 8.3237 114.5553 57.6489 64.3211 174.9487 36 K 4.4647 6.9786 121.5411 56.8330 33.8767 177.0353 37 K 4.1402 8.5070 118.8096 57.7664 34.6015 174.8905 38 R 3.8272 7.4115 117.4842 55.8514 29.9991 174.7304 39 L 5.0366 8.2300 118.1920 53.1317 43.5470 176.0224 40 Q 4.4230 9.3667 126.7273 55.5545 30.3215 174.8610 41 A 4.9595 8.6161 127.4704 51.4200 20.6538 177.3018 42 F 4.6835 9.4182 122.5753 56.7992 39.9934 171.7466 43 E 4.3073 8.3896 121.0792 55.3990 29.7485 174.7969 44 G 4.1818 8.3974 119.3824 45.3275 0.0000 172.9080 45 V 4.4815 8.6940 125.3698 61.4679 34.4668 175.3333 46 V 4.0686 7.8100 121.1725 62.1078 31.1485 176.5896 47 I 4.2552 8.7006 116.3169 60.4529 39.5900 174.5311 48 A 5.3351 7.3536 121.6771 51.1000 21.9799 174.1032 49 I 4.4402 7.8480 113.6769 60.0494 42.0566 175.1795 50 R 4.2016 8.8625 121.5765 56.0808 28.7438 177.4429 51 N 4.2798 10.2279 107.2875 53.3433 34.4620 174.6743 52 R 4.6484 7.9135 110.2573 55.3122 33.1349 178.3610 53 G 3.6309 8.0958 107.6518 46.2419 0.0000 175.5600 54 L 3.8759 8.7736 122.4323 58.1686 42.0201 177.2809 55 H 4.7339 7.7819 115.4483 55.6734 29.3060 175.2431 56 S 4.7774 8.5899 117.6253 57.5224 67.4499 173.7200 57 A 5.9400 8.7092 124.7430 49.9889 21.8225 174.5399 58 F 4.8305 8.9393 113.1879 59.1834 41.6889 174.5507 59 T 3.3516 8.0023 126.4549 63.2126 64.7824 169.6722 60 V 4.9250 9.2518 125.8753 60.9199 34.8127 174.2239 61 R 4.9602 8.5506 126.2423 55.4496 31.6856 176.4062 62 K 3.9514 8.3366 121.3043 56.8763 34.5909 176.3536 63 I 3.1953 7.7024 115.9351 62.1225 34.1957 175.0245 64 S 4.5806 7.5177 119.4843 57.4865 62.5721 177.3783 65 N 4.4360 8.6245 118.4889 54.8304 36.5008 173.6585 66 G 4.2045 8.3013 113.9855 45.6339 0.0000 171.2460 67 E 4.2782 7.7967 119.3422 54.6143 30.4979 176.7993 68 G 3.8032 8.5450 112.6801 45.4017 0.0000 173.1631 69 V 4.6000 8.2528 116.1386 59.5457 35.4159 174.4561 70 E 5.1333 8.5871 122.7715 54.9639 32.2903 174.1462 71 R 4.2416 9.0121 127.6063 54.5150 32.9389 174.9950 72 V 4.5696 7.7002 118.8761 58.9017 31.8718 175.0209 73 F 4.2933 7.7016 124.3364 56.8711 40.6030 174.4361 74 Q 5.4673 7.6069 113.9271 58.7939 28.1488 179.5512 75 T 2.7042 6.0889 110.9074 65.0946 71.5794 174.0097 76 H 4.5705 7.5467 123.8180 56.2901 28.8048 175.6828 77 S 4.6829 7.3705 112.6680 55.5485 65.2597 172.2762 78 P 3.9125 0.0000 0.0000 65.8036 31.3233 178.8647 79 V 3.0227 7.5406 110.8252 64.0647 31.6822 178.6427 80 V 3.2526 7.4528 118.7549 63.2177 32.5797 178.9865 81 D 3.8493 7.5761 116.7700 54.9745 41.9725 176.6117 82 S 4.5715 6.2719 112.0106 57.7453 65.6047 172.9683 83 I 4.1208 7.6801 117.3577 60.7232 39.7634 173.7602 84 S 4.6999 8.4295 127.6068 58.0878 63.9927 172.9480 85 V 4.6090 8.3484 112.7708 60.8417 36.7266 178.4422 86 K 3.5911 8.5861 116.9165 57.2874 31.4851 176.5103 87 R 4.7176 8.9978 125.5749 55.2472 32.9174 173.9898 88 R 5.0959 8.0278 122.4897 54.0301 31.7470 175.3576 89 G 4.5165 8.6071 108.0329 44.3064 0.0000 171.4200 90 A 4.5550 8.5604 122.8007 51.3350 19.3308 177.1135 91 V 4.0285 8.0302 119.0711 64.2836 34.2403 175.9954 92 R 3.7216 8.6645 115.0200 56.0640 27.3091 174.6403 93 K 4.2932 7.3646 114.9935 55.9767 35.4337 174.3652 94 A 4.2543 8.6787 126.0157 53.8861 19.3033 178.0286 95 K 4.6023 7.6298 113.0046 54.6856 35.1476 176.8601 96 L 4.8862 9.0085 125.0265 54.5144 41.8782 178.2996 97 Y 4.5033 7.6576 117.8311 60.8944 38.4571 178.6855 98 Y 4.2343 8.1562 117.2908 59.5125 38.4034 176.3483 99 L 3.7757 6.7416 119.7455 55.5346 43.6201 177.8896 100 R 4.1518 7.5350 117.8838 56.7692 28.7716 178.6426 101 E 4.0291 9.3338 131.3024 58.0019 28.8286 176.1809 102 R 4.4669 8.0645 121.2489 57.9539 35.8116 177.2073 103 T 3.4717 7.8243 111.6213 62.1954 67.2761 171.3132 104 G 4.1253 8.3599 110.8341 46.8657 0.0000 173.5953 105 K 4.0995 8.9209 123.7623 57.7030 30.6811 178.3236 106 A 4.0299 7.8629 118.0011 54.0284 18.7405 178.0671 107 A 4.2003 8.0924 118.1796 54.3199 19.4611 177.6011 108 R 3.5849 6.8742 114.2531 54.2105 28.6815 175.8988 109 I 4.3148 8.0761 125.5055 59.2148 38.2888 176.0489 110 K 3.9937 8.7244 127.6236 56.6389 32.8082 176.8897 111 E 4.1435 8.9397 123.2202 56.8471 29.7230 176.4866 112 R 3.8743 9.1332 120.4863 55.2026 30.6304 172.5508 113 L 3.5011 7.7048 132.6932 54.7826 41.8356 174.3960 114 N 4.5740 8.6619 122.0521 53.3802 38.7881 175.0451 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 S 8.33 4.40 0.00 3.85 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 2 N 6.88 4.28 0.00 2.84 2.78 0.00 0.00 7.08 6.94 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 3 I 8.66 3.60 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 1.41 1.45 0.91 0.00 0.00 4 I 7.34 4.27 1.94 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.67 0.92 0.00 0.00 5 K 8.74 4.12 0.00 2.05 1.90 0.00 1.73 0.00 0.00 1.80 0.00 0.00 2.83 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.35 7.81 6 Q 7.52 4.03 0.00 2.18 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.34 2.50 0.00 7 L 7.43 4.41 0.00 1.78 1.72 0.97 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 8 E 8.06 4.06 0.00 2.13 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 2.27 2.33 0.00 9 Q 9.23 4.06 0.00 2.10 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 6.58 0.00 0.00 0.00 0.00 0.00 2.56 2.35 0.00 10 E 8.28 4.00 0.00 2.31 2.11 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 2.29 2.33 0.00 11 Q 8.01 4.45 0.00 2.06 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.58 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 12 M 7.15 3.79 0.00 1.87 2.09 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 2.65 2.21 0.00 13 K 8.17 4.65 0.00 1.81 1.75 0.00 1.56 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.45 1.42 7.81 14 Q 8.41 4.54 0.00 1.99 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 7.07 0.00 0.00 0.00 0.00 0.00 2.23 2.34 0.00 15 D 7.94 4.44 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 16 V 7.45 3.81 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 0.69 0.00 0.00 0.90 0.00 0.00 17 P 0.00 4.51 0.00 2.14 2.05 0.00 3.61 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 1.83 1.89 0.00 18 S 8.33 4.27 0.00 3.86 3.85 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 19 F 7.82 5.37 0.00 2.85 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 20 R 7.38 4.39 0.00 1.92 1.86 0.00 3.22 0.00 0.00 3.39 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.42 0.00 21 P 0.00 4.43 0.00 2.15 2.14 0.00 3.70 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.02 0.00 22 G 7.42 3.95 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 0.00 0.00 0.00 0.00 0.00 0.00 23 D 7.82 4.59 0.00 2.51 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 24 T 8.82 4.12 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 1.34 0.00 0.00 25 V 7.65 3.54 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 0.71 0.00 0.00 1.08 0.00 0.00 26 E 7.97 4.96 0.00 2.03 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 2.32 2.34 0.00 27 V 8.27 3.90 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 -0.04 0.00 0.00 1.13 0.00 0.00 28 K 8.59 4.79 0.00 1.67 1.73 0.00 1.72 0.00 0.00 1.68 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.39 1.62 7.81 29 V 8.43 5.32 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 0.62 0.00 0.00 1.08 0.00 0.00 30 W 8.50 5.13 0.00 3.23 3.03 0.00 0.00 0.00 0.00 0.00 0.00 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 8.19 4.33 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 0.68 0.00 0.00 1.02 0.00 0.00 32 V 7.91 3.57 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 0.89 0.00 0.00 0.94 0.00 0.00 33 E 7.81 3.64 0.00 2.10 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 2.35 0.00 34 G 8.49 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 S 8.32 4.61 0.00 3.83 3.85 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 36 K 6.98 4.46 0.00 1.65 1.74 0.00 1.73 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.41 1.49 7.81 37 K 8.51 4.14 0.00 1.37 1.58 0.00 1.48 0.00 0.00 1.55 0.00 0.00 2.95 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.11 1.16 7.81 38 R 7.41 3.83 0.00 2.02 2.15 0.00 2.92 0.00 0.00 3.33 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.70 0.00 39 L 8.23 5.04 0.00 1.59 1.75 1.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.37 4.42 0.00 2.19 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.83 0.00 0.00 0.00 0.00 0.00 2.50 2.41 0.00 41 A 8.62 4.96 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 42 F 9.42 4.68 0.00 3.16 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 8.39 4.31 0.00 2.02 1.83 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 2.47 2.27 0.00 44 G 8.40 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 45 V 8.69 4.48 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 0.91 0.00 0.00 0.91 0.00 0.00 46 V 7.81 4.07 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 0.13 0.00 0.00 0.69 0.00 0.00 47 I 8.70 4.26 2.03 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 1.46 1.08 0.92 0.00 0.00 48 A 7.35 5.34 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 49 I 7.85 4.44 1.81 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 1.55 0.63 0.91 0.00 0.00 50 R 8.86 4.20 0.00 2.07 1.69 0.00 3.28 0.00 0.00 3.46 7.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.81 0.00 51 N 10.23 4.28 0.00 2.96 3.02 0.00 0.00 6.58 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 52 R 7.91 4.65 0.00 2.21 1.90 0.00 3.52 0.00 0.00 3.26 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.77 0.00 53 G 8.10 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 54 L 8.77 3.88 0.00 1.48 1.55 0.90 0.92 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 55 H 7.78 4.73 0.00 3.22 3.24 0.00 5.79 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 56 S 8.59 4.78 0.00 3.75 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 57 A 8.71 5.94 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 58 F 8.94 4.83 0.00 3.29 3.29 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 59 T 8.00 3.35 4.32 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 1.30 0.00 0.00 60 V 9.25 4.93 2.40 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 1.34 0.00 0.00 1.32 0.00 0.00 61 R 8.55 4.96 0.00 1.76 1.82 0.00 3.40 0.00 0.00 3.26 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.71 0.00 62 K 8.34 3.95 0.00 1.49 1.63 0.00 1.22 0.00 0.00 0.89 0.00 0.00 2.63 0.00 0.00 2.64 0.00 0.00 0.00 0.00 1.24 1.18 7.81 63 I 7.70 3.20 1.84 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 1.40 0.51 0.90 0.00 0.00 64 S 7.52 4.58 0.00 3.84 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 65 N 8.62 4.44 0.00 2.69 2.81 0.00 0.00 6.79 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 66 G 8.30 4.20 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 7.80 4.28 0.00 1.97 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 2.25 0.00 68 G 8.54 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 69 V 8.25 4.60 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 0.92 0.00 0.00 1.07 0.00 0.00 70 E 8.59 5.13 0.00 1.92 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 2.19 2.32 0.00 71 R 9.01 4.24 0.00 1.12 0.70 0.00 2.37 0.00 0.00 2.25 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.87 0.00 72 V 7.70 4.57 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 0.79 0.00 0.00 0.83 0.00 0.00 73 F 7.70 4.29 0.00 2.36 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 74 Q 7.61 5.47 0.00 1.97 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.65 6.21 0.00 0.00 0.00 0.00 0.00 2.31 2.22 0.00 75 T 6.09 2.70 4.06 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 1.11 0.00 0.00 76 H 7.55 4.57 0.00 3.23 3.24 0.00 5.64 0.00 0.00 0.00 0.00 8.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 7.37 4.68 0.00 3.86 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 P 0.00 3.91 0.00 1.90 1.77 0.00 3.54 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 2.02 2.00 0.00 79 V 7.54 3.02 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 0.79 0.00 0.00 0.83 0.00 0.00 80 V 7.45 3.25 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 0.50 0.00 0.00 0.50 0.00 0.00 81 D 7.58 3.85 0.00 2.38 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 0.00 0.00 0.00 82 S 6.27 4.57 0.00 3.77 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 83 I 7.68 4.12 1.84 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.14 0.86 0.00 0.00 84 S 8.43 4.70 0.00 4.00 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 85 V 8.35 4.61 2.15 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 0.82 0.00 0.00 1.01 0.00 0.00 86 K 8.59 3.59 0.00 1.88 1.43 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.84 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.48 7.81 87 R 9.00 4.72 0.00 1.88 1.77 0.00 3.16 0.00 0.00 3.39 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.60 0.00 88 R 8.03 5.10 0.00 2.05 2.04 0.00 3.13 0.00 0.00 3.31 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.46 0.00 89 G 8.61 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 0.00 0.00 0.00 0.00 90 A 8.56 4.56 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 91 V 8.03 4.03 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 0.95 0.00 0.00 0.94 0.00 0.00 92 R 8.66 3.72 0.00 1.97 1.98 0.00 3.30 0.00 0.00 3.11 7.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.58 0.00 93 K 7.36 4.29 0.00 1.68 1.64 0.00 1.63 0.00 0.00 1.56 0.00 0.00 2.86 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.36 1.40 7.81 94 A 8.68 4.25 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 95 K 7.63 4.60 0.00 1.22 0.74 0.00 1.46 0.00 0.00 1.56 0.00 0.00 3.07 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.81 1.04 7.81 96 L 9.01 4.89 0.00 1.47 1.34 0.95 0.71 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 97 Y 7.66 4.50 0.00 3.08 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 98 Y 8.16 4.23 0.00 3.13 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 99 L 6.74 3.78 0.00 0.88 1.45 0.79 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.54 4.15 0.00 2.09 1.29 0.00 3.31 0.00 0.00 3.44 7.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.60 0.00 101 E 9.33 4.03 0.00 2.06 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 2.29 2.42 0.00 102 R 8.06 4.47 0.00 1.80 1.91 0.00 3.69 0.00 0.00 3.25 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.50 0.00 103 T 7.82 3.47 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 1.21 0.00 0.00 104 G 8.36 4.13 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 0.00 0.00 0.00 0.00 0.00 0.00 105 K 8.92 4.10 0.00 1.96 1.94 0.00 1.68 0.00 0.00 1.82 0.00 0.00 2.95 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.42 1.36 7.81 106 A 7.86 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 0.00 107 A 8.09 4.20 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 0.00 108 R 6.87 3.58 0.00 1.93 1.89 0.00 3.15 0.00 0.00 3.22 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 109 I 8.08 4.31 1.86 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.72 0.91 0.00 0.00 110 K 8.72 3.99 0.00 1.76 1.77 0.00 1.59 0.00 0.00 1.89 0.00 0.00 2.97 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.54 1.53 7.81 111 E 8.94 4.14 0.00 1.94 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 0.00 2.28 2.39 0.00 112 R 9.13 3.87 0.00 1.65 1.89 0.00 3.39 0.00 0.00 3.31 7.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.56 0.00 113 L 7.70 3.50 0.00 1.87 1.78 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 114 N 8.66 4.57 0.00 2.74 2.69 0.00 0.00 7.02 7.56 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