NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.4470 8.1933 116.7952 58.5467 64.8225 174.7823 2 N 4.5209 8.3035 115.8348 53.4308 38.5434 174.7824 3 I 4.3269 8.3067 119.8609 61.5313 40.9109 176.0788 4 I 4.2974 7.3573 119.6393 61.2788 36.6144 175.2262 5 K 4.3721 7.4806 119.4851 57.4346 34.3087 177.6218 6 Q 4.0286 7.9163 118.0497 59.3786 28.6376 178.7075 7 L 3.9418 7.5407 120.1697 57.2256 42.5547 178.3437 8 E 4.1446 8.4215 119.5424 59.0163 29.7321 178.3584 9 Q 4.2750 7.8579 115.3850 57.3000 28.9772 176.9906 10 E 4.0230 7.5656 121.0472 58.6094 29.5999 176.9306 11 Q 4.4905 7.5736 114.2157 55.5428 29.9101 175.1312 12 M 4.1832 7.8013 119.6961 53.9255 31.8622 176.4762 13 K 4.2945 8.5366 123.3848 57.1765 33.4498 176.4406 14 Q 4.6258 8.3887 114.1871 55.7460 30.0264 176.0614 15 D 4.6319 8.0661 119.3072 55.2161 42.1196 177.5192 16 V 3.6117 7.6967 118.8976 62.5056 31.8624 173.8076 17 P 4.5820 0.0000 0.0000 61.1361 32.4304 175.8026 18 S 4.3592 8.3014 115.0879 58.4493 62.7801 174.0563 19 F 3.8790 8.9320 125.7404 58.0531 39.6197 171.4615 20 R 3.9285 8.1364 127.4658 54.5791 30.9941 173.5036 21 P 4.1738 0.0000 0.0000 65.1961 31.2927 175.2079 22 G 3.8942 8.4974 111.6266 45.3165 0.0000 172.7793 23 D 5.1037 7.7918 126.8453 54.2448 39.6522 178.8021 24 T 5.2104 8.4789 109.9054 62.6634 72.7683 175.5855 25 V 3.1249 7.4823 107.7120 60.9737 28.2952 173.0401 26 E 4.3623 8.2796 130.5797 55.9573 30.8778 175.4995 27 V 4.2574 8.6458 127.2435 60.7518 32.9925 175.0106 28 K 5.1546 7.8902 126.7165 56.0656 32.8626 177.4128 29 V 5.0142 8.1424 115.5355 58.3021 36.0871 175.0512 30 W 5.8063 9.0768 124.3288 57.1850 29.3128 176.0209 31 V 4.4058 8.6100 116.7189 60.9500 34.0704 176.1752 32 V 3.1252 8.0233 114.6186 62.1568 28.7685 172.5414 33 E 3.8183 8.1307 127.6554 59.6129 30.2849 177.3568 34 G 4.3039 7.7390 107.5270 46.2336 0.0000 173.2481 35 S 4.6081 7.9707 111.0935 57.3780 66.3871 173.6410 36 K 4.5530 7.7950 119.7315 54.7959 35.0004 176.4131 37 K 4.7460 8.7697 124.6149 55.6955 33.5651 175.9093 38 R 4.3547 7.8101 117.2869 56.6105 31.7671 172.4488 39 L 5.2619 8.5647 118.8454 53.6231 43.3656 176.2477 40 Q 4.8362 9.1071 123.5526 54.2364 32.2083 174.7766 41 A 4.6895 8.5980 126.5040 51.9087 20.4700 177.2587 42 F 4.1892 8.3928 116.0135 58.1665 41.5136 171.7441 43 E 4.6980 8.7696 126.8616 54.0671 28.1248 177.3686 44 G 4.2990 8.3372 119.2656 45.0169 0.0000 170.6284 45 V 4.8963 8.3872 121.6667 60.1352 35.8469 175.3137 46 V 4.4987 8.6109 127.0965 62.9144 31.3200 175.4975 47 I 4.2505 8.8972 122.5800 61.1471 40.0849 175.5364 48 A 4.8838 7.8636 122.6546 49.7194 22.6056 174.9383 49 I 4.8091 8.1282 119.4767 58.7332 41.7908 175.9187 50 R 4.9374 7.9455 119.7298 56.7164 29.4983 177.8279 51 N 4.3588 9.8131 115.9027 54.7501 34.5657 175.1685 52 R 4.7219 8.8668 116.8981 55.6330 33.1856 176.6332 53 G 4.2420 7.6290 115.4444 46.7354 0.0000 176.7300 54 L 3.7241 8.3788 126.0185 57.1802 41.8045 176.8100 55 H 4.6826 8.1853 114.4402 56.0955 28.8343 175.2181 56 S 4.5485 7.9306 116.5972 58.2652 64.2821 173.1119 57 A 4.9366 7.5490 124.2472 51.9942 21.4881 175.4117 58 F 5.3401 7.6300 113.9955 55.3020 42.0241 173.9982 59 T 4.7408 9.1031 116.1804 61.8890 71.0338 173.6975 60 V 5.7361 8.3863 126.1682 59.9353 33.3871 173.1911 61 R 4.3342 8.4747 127.3241 56.1429 30.8359 175.3846 62 K 3.9753 8.5542 126.1632 58.3536 33.5117 174.1312 63 I 3.1654 8.1304 126.8836 60.9922 33.1558 172.2860 64 S 4.5392 7.6084 116.9264 56.9238 64.9217 171.4162 65 N 4.2715 8.3890 121.0135 53.2512 37.4119 174.4959 66 G 3.9452 7.7133 105.3064 46.4175 0.0000 171.9269 67 E 4.7556 7.7029 119.6025 52.8198 33.3293 174.7552 68 G 3.8383 9.0440 110.6370 46.7923 0.0000 174.0860 69 V 4.5077 8.2411 119.4098 60.3595 33.0994 173.8714 70 E 4.3164 8.6806 125.4132 56.6036 30.6630 177.0258 71 R 4.0990 8.3543 122.5406 55.1351 32.8296 174.1369 72 V 4.0819 8.0196 120.9030 60.9684 31.9699 175.8146 73 F 4.2669 8.4660 125.5342 55.7081 40.8095 175.1865 74 Q 3.9925 8.5967 122.4199 56.3238 28.4422 176.8673 75 T 3.9372 8.2237 119.2444 65.0004 67.5170 174.5964 76 H 4.7192 7.9629 115.1758 55.3055 29.4584 175.1079 77 S 4.2592 8.0275 116.3253 57.6577 62.8149 173.2878 78 P 4.2598 0.0000 0.0000 65.2146 31.8799 178.2263 79 V 3.0939 7.3526 110.9745 62.2793 31.6381 178.0491 80 V 3.6186 7.0624 118.6557 63.2195 33.2898 178.2887 81 D 4.0239 7.4752 118.0495 55.3602 41.4548 176.4242 82 S 4.5316 8.5379 114.9123 57.3834 65.8719 172.5692 83 I 4.2102 7.5771 114.9673 61.1534 39.2563 173.5214 84 S 4.5919 8.0161 132.1000 58.7064 65.9790 175.0625 85 V 4.3839 7.9100 117.8823 61.9863 31.6451 172.9949 86 K 3.9968 8.6727 126.9415 59.3648 32.1615 176.6998 87 R 4.7723 7.9610 115.6241 54.6687 34.0703 173.8101 88 R 4.8898 8.5156 117.8574 54.2751 33.4008 175.4702 89 G 4.8672 9.3168 109.6090 43.8440 0.0000 173.4181 90 A 4.7307 8.3375 123.0748 50.3179 17.8524 176.2137 91 V 3.6942 8.1949 120.6057 64.7811 32.5950 175.8587 92 R 3.7387 7.7901 120.1935 54.3068 27.2616 173.7579 93 K 4.6673 7.8519 124.6112 55.1667 35.6803 172.3401 94 A 3.8953 8.9745 126.7315 55.1371 17.5796 178.5902 95 K 4.1509 8.7422 114.6031 54.6929 34.4193 177.5686 96 L 4.6486 7.9173 121.7066 54.3355 41.4978 177.7369 97 Y 4.2479 7.5103 116.3764 59.7557 38.7680 177.3919 98 Y 4.5584 7.9046 116.6028 58.0533 38.9011 176.0967 99 L 4.0756 6.9565 120.2919 56.0448 42.0721 178.3379 100 R 4.2981 7.3859 115.2111 57.5095 29.8732 177.4818 101 E 4.7378 7.7932 117.3702 54.8381 30.6229 174.3054 102 R 4.4106 7.3395 117.6344 52.6915 34.4161 177.0457 103 T 3.6512 8.2449 109.6854 63.3409 67.9977 171.4307 104 G 4.0262 8.2356 110.4023 47.3188 0.0000 174.2286 105 K 3.9795 8.9325 119.9022 56.4602 30.0074 176.4214 106 A 4.5228 8.1090 119.8416 52.5709 20.4660 176.8126 107 A 3.7790 7.9688 118.6701 51.7269 18.8056 179.1087 108 R 3.4627 7.1410 122.0520 55.6119 26.7724 176.1758 109 I 3.9263 7.7605 126.5016 61.6870 37.7020 179.9935 110 K 4.3888 7.6669 126.8505 57.2796 36.6232 176.1919 111 E 4.9607 8.5281 115.3012 55.3456 32.7030 175.7394 112 R 3.7799 8.5483 121.6629 56.7424 29.3603 175.6929 113 L 3.9218 9.3922 120.0866 54.7215 43.3190 172.5900 114 N 4.6105 8.5611 121.5252 53.5149 39.3450 174.1158 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 8.19 4.45 0.00 3.90 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 2 N 8.30 4.52 0.00 2.87 2.84 0.00 0.00 6.45 6.44 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 3 I 8.31 4.33 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 1.35 0.91 0.00 0.00 4 I 7.36 4.30 1.88 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 1.19 0.66 0.98 0.00 0.00 5 K 7.48 4.37 0.00 1.73 1.67 0.00 1.74 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.37 1.37 7.81 6 Q 7.92 4.03 0.00 2.40 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.58 0.00 0.00 0.00 0.00 0.00 2.36 2.53 0.00 7 L 7.54 3.94 0.00 1.70 1.75 0.92 0.96 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 8 E 8.42 4.14 0.00 2.11 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 2.25 2.29 0.00 9 Q 7.86 4.28 0.00 2.25 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.84 0.00 0.00 0.00 0.00 0.00 2.59 2.39 0.00 10 E 7.57 4.02 0.00 2.22 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 0.00 2.33 2.37 0.00 11 Q 7.57 4.49 0.00 2.20 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.67 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 12 M 7.80 4.18 0.00 1.97 1.97 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.17 0.00 13 K 8.54 4.29 0.00 1.87 1.86 0.00 1.66 0.00 0.00 1.76 0.00 0.00 2.99 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.45 1.42 7.81 14 Q 8.39 4.63 0.00 2.01 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.18 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.28 0.00 15 D 8.07 4.63 0.00 2.64 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 16 V 7.70 3.61 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 1.01 0.00 0.00 0.97 0.00 0.00 17 P 0.00 4.58 0.00 1.84 1.84 0.00 3.53 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.95 0.00 18 S 8.30 4.36 0.00 4.00 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 19 F 8.93 3.88 0.00 2.82 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 20 R 8.14 3.93 0.00 2.08 1.95 0.00 3.26 0.00 0.00 3.40 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.68 0.00 21 P 0.00 4.17 0.00 2.22 2.08 0.00 3.82 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 1.98 0.00 22 G 8.50 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 0.00 0.00 0.00 23 D 7.79 5.10 0.00 2.80 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 24 T 8.48 5.21 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 1.21 0.00 0.00 25 V 7.48 3.12 1.81 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 0.52 0.00 0.00 1.00 0.00 0.00 26 E 8.28 4.36 0.00 2.05 1.79 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 2.39 2.34 0.00 27 V 8.65 4.26 1.61 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 0.23 0.00 0.00 0.86 0.00 0.00 28 K 7.89 5.15 0.00 1.72 1.77 0.00 1.69 0.00 0.00 1.58 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.52 1.30 7.81 29 V 8.14 5.01 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 1.33 0.00 0.00 1.13 0.00 0.00 30 W 9.08 5.81 0.00 3.29 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 31 V 8.61 4.41 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 0.80 0.00 0.00 1.01 0.00 0.00 32 V 8.02 3.13 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 0.73 0.00 0.00 0.93 0.00 0.00 33 E 8.13 3.82 0.00 2.09 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 0.00 2.34 2.33 0.00 34 G 7.74 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 35 S 7.97 4.61 0.00 3.80 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 36 K 7.79 4.55 0.00 1.75 1.86 0.00 1.49 0.00 0.00 1.81 0.00 0.00 2.83 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.43 7.81 37 K 8.77 4.75 0.00 1.45 1.56 0.00 1.49 0.00 0.00 1.42 0.00 0.00 2.71 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.34 1.32 7.81 38 R 7.81 4.35 0.00 1.91 2.06 0.00 2.97 0.00 0.00 3.35 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.49 0.00 39 L 8.56 5.26 0.00 1.63 1.72 1.32 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 0.00 0.00 0.00 0.00 0.00 0.00 40 Q 9.11 4.84 0.00 2.18 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.86 0.00 0.00 0.00 0.00 0.00 2.33 2.35 0.00 41 A 8.60 4.69 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 42 F 8.39 4.19 0.00 3.21 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 43 E 8.77 4.70 0.00 1.85 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 0.00 2.25 2.30 0.00 44 G 8.34 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 45 V 8.39 4.90 2.23 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 1.18 0.00 0.00 0.95 0.00 0.00 46 V 8.61 4.50 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 1.11 0.00 0.00 1.05 0.00 0.00 47 I 8.90 4.25 1.88 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 1.30 0.59 0.86 0.00 0.00 48 A 7.86 4.88 1.15 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 49 I 8.13 4.81 1.85 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 1.37 0.79 0.89 0.00 0.00 50 R 7.95 4.94 0.00 1.75 1.39 0.00 3.08 0.00 0.00 3.08 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.43 0.00 51 N 9.81 4.36 0.00 2.85 3.07 0.00 0.00 6.52 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 8.87 4.72 0.00 1.83 1.88 0.00 3.46 0.00 0.00 3.19 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.72 0.00 53 G 7.63 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 0.00 0.00 0.00 0.00 54 L 8.38 3.72 0.00 1.53 1.67 0.81 0.99 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 55 H 8.19 4.68 0.00 3.26 3.30 0.00 5.72 0.00 0.00 0.00 0.00 7.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 S 7.93 4.55 0.00 3.91 3.83 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 57 A 7.55 4.94 1.25 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 0.00 0.00 0.00 58 F 7.63 5.34 0.00 3.24 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 59 T 9.10 4.74 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 1.22 0.00 0.00 60 V 8.39 5.74 2.44 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 1.50 0.00 0.00 1.42 0.00 0.00 61 R 8.47 4.33 0.00 1.98 1.82 0.00 3.21 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.66 0.00 62 K 8.55 3.98 0.00 1.71 1.67 0.00 1.05 0.00 0.00 1.33 0.00 0.00 2.73 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.23 1.39 7.81 63 I 8.13 3.17 1.86 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 1.30 0.79 0.90 0.00 0.00 64 S 7.61 4.54 0.00 3.64 3.60 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 0.00 0.00 0.00 0.00 65 N 8.39 4.27 0.00 2.89 2.78 0.00 0.00 6.69 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 7.71 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 67 E 7.70 4.76 0.00 1.94 1.79 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 2.17 2.22 0.00 68 G 9.04 3.84 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 0.00 0.00 0.00 69 V 8.24 4.51 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 1.13 0.00 0.00 0.94 0.00 0.00 70 E 8.68 4.32 0.00 1.92 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 2.36 2.36 0.00 71 R 8.35 4.10 0.00 1.61 1.02 0.00 2.73 0.00 0.00 2.25 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.98 0.00 72 V 8.02 4.08 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 0.78 0.00 0.00 73 F 8.47 4.27 0.00 1.59 2.54 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 74 Q 8.60 3.99 0.00 1.96 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.27 6.87 0.00 0.00 0.00 0.00 0.00 2.38 2.27 0.00 75 T 8.22 3.94 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 1.09 0.00 0.00 76 H 7.96 4.72 0.00 3.31 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 S 8.03 4.26 0.00 3.83 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 78 P 0.00 4.26 0.00 2.08 2.23 0.00 3.71 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.99 0.00 79 V 7.35 3.09 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 0.81 0.00 0.00 0.91 0.00 0.00 80 V 7.06 3.62 2.02 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 0.62 0.00 0.00 1.03 0.00 0.00 81 D 7.48 4.02 0.00 2.29 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 0.00 0.00 0.00 0.00 82 S 8.54 4.53 0.00 3.78 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 83 I 7.58 4.21 1.78 0.00 0.00 0.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.68 0.82 0.00 0.00 84 S 8.02 4.59 0.00 3.76 3.65 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 85 V 7.91 4.38 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 0.50 0.00 0.00 0.88 0.00 0.00 86 K 8.67 4.00 0.00 1.72 1.89 0.00 1.54 0.00 0.00 1.74 0.00 0.00 2.81 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.60 1.47 7.81 87 R 7.96 4.77 0.00 1.73 1.76 0.00 3.19 0.00 0.00 3.22 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.57 0.00 88 R 8.52 4.89 0.00 1.75 1.75 0.00 3.11 0.00 0.00 3.32 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.56 0.00 89 G 9.32 4.87 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 0.00 0.00 0.00 90 A 8.34 4.73 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 8.19 3.69 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 0.95 0.00 0.00 1.00 0.00 0.00 92 R 7.79 3.74 0.00 1.98 1.93 0.00 3.42 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 1.52 1.60 0.00 93 K 7.85 4.67 0.00 1.82 1.80 0.00 1.80 0.00 0.00 1.74 0.00 0.00 3.10 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.34 1.48 7.81 94 A 8.97 3.90 1.25 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 0.00 0.00 0.00 95 K 8.74 4.15 0.00 1.84 1.04 0.00 1.81 0.00 0.00 1.47 0.00 0.00 3.00 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.48 1.65 7.81 96 L 7.92 4.65 0.00 1.75 1.37 0.97 1.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 97 Y 7.51 4.25 0.00 3.17 2.94 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 98 Y 7.90 4.56 0.00 3.11 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 99 L 6.96 4.08 0.00 1.51 1.56 0.70 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 100 R 7.39 4.30 0.00 1.92 2.01 0.00 3.31 0.00 0.00 3.51 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.82 0.00 101 E 7.79 4.74 0.00 1.93 1.85 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 2.28 2.35 0.00 102 R 7.34 4.41 0.00 1.73 1.82 0.00 3.65 0.00 0.00 3.29 7.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.60 0.00 103 T 8.24 3.65 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 1.22 0.00 0.00 104 G 8.24 4.03 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 0.00 0.00 0.00 105 K 8.93 3.98 0.00 1.95 2.00 0.00 1.72 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.33 1.37 7.81 106 A 8.11 4.52 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 0.00 107 A 7.97 3.78 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 0.00 108 R 7.14 3.46 0.00 1.90 2.19 0.00 3.22 0.00 0.00 3.23 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.69 0.00 109 I 7.76 3.93 1.90 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 1.43 0.47 0.99 0.00 0.00 110 K 7.67 4.39 0.00 1.89 1.67 0.00 2.00 0.00 0.00 1.72 0.00 0.00 2.98 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.31 1.42 7.81 111 E 8.53 4.96 0.00 1.88 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 2.21 2.36 0.00 112 R 8.55 3.78 0.00 1.87 1.35 0.00 3.33 0.00 0.00 3.24 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.60 0.00 113 L 9.39 3.92 0.00 1.83 1.72 0.92 0.85 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 0.00 114 N 8.56 4.61 0.00 2.69 2.64 0.00 0.00 6.97 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