NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 0 M 4.4204 8.3044 118.1959 55.0293 32.5357 174.3267 1 V 4.2063 8.0551 119.7380 60.5948 33.9373 173.7976 2 L 4.2700 8.3284 127.7072 54.0851 43.4809 176.9569 3 S 4.5491 8.8992 117.8924 57.5932 65.4994 175.1138 4 E 4.2874 8.7387 121.4976 59.3618 29.3394 178.6120 5 G 3.6522 8.1179 105.4159 47.8225 0.0000 175.3927 6 E 3.8825 7.9831 120.5036 59.0043 29.4887 179.4404 7 W 4.1848 7.9861 118.9560 59.8521 29.0596 178.5879 8 Q 4.1769 8.5106 118.1434 59.0652 28.0958 178.8674 9 L 4.0972 8.0047 119.9922 57.5982 41.5622 179.8843 10 V 3.7136 7.8623 118.3387 66.0894 31.6316 177.9457 11 L 4.3999 8.6698 118.0238 56.8204 41.2997 178.8615 12 H 4.2828 8.1684 118.7312 59.2314 30.2867 177.2972 13 V 3.7347 7.8383 120.5919 64.3586 31.2806 178.0918 14 W 3.9122 8.4752 128.9675 59.9910 30.2663 177.6232 15 A 4.0634 7.7680 119.3628 54.1238 18.0692 179.2488 16 K 3.9910 7.7047 117.4417 59.0679 32.4327 179.2368 17 V 2.9047 7.1562 117.8988 65.8069 31.0034 177.1620 18 E 3.9552 7.4703 115.0049 57.4629 29.3330 178.1491 19 A 4.2080 7.4530 120.7374 53.3311 20.2369 177.4371 20 D 4.6488 8.0089 116.8485 51.7161 42.0455 175.5125 21 V 3.4199 7.8536 123.6844 65.9690 32.0936 176.7423 22 A 4.0612 7.9945 119.9891 55.0017 18.3139 179.4908 23 G 4.0521 8.1542 105.5333 47.8066 0.0000 175.6075 24 H 4.1782 8.2580 119.2893 58.1860 28.7493 177.8529 25 G 3.9167 8.2925 107.9067 48.1055 0.0000 175.1403 26 Q 3.8777 8.0357 122.4177 58.9585 29.0593 178.2412 27 D 4.3157 8.0862 119.6369 57.4611 40.8312 179.0713 28 I 3.7218 7.8615 120.1803 64.3253 37.1347 178.5420 29 L 3.3464 7.6339 119.7349 57.3782 41.3454 179.5452 30 I 3.5868 7.5366 119.7315 64.4060 37.0285 178.1583 31 R 3.7959 7.8607 119.4370 59.4301 29.7606 178.1772 32 L 3.8674 7.6648 119.6606 58.2856 41.6399 178.9293 33 F 4.5895 7.7059 117.7412 60.6007 38.5750 177.7984 34 K 3.9960 8.4610 117.3742 59.6275 32.0122 179.1478 35 S 4.3552 8.1324 114.4966 60.4877 63.6159 174.6576 36 H 4.5884 8.4341 120.9547 52.5327 29.6447 172.2564 37 P 4.5391 0.0000 0.0000 64.1805 31.2103 177.9254 38 E 4.3484 8.4506 118.1057 58.9084 29.6466 179.0556 39 T 3.7084 8.2582 111.3394 64.5225 68.7066 176.1516 40 L 3.6483 7.9529 122.7413 57.8820 41.4165 178.7876 41 E 4.0721 8.1255 118.3942 58.9255 29.1296 178.9496 42 K 4.3087 8.0931 116.9876 56.8855 32.4002 176.6375 43 F 4.4938 7.9678 119.5493 55.9457 39.7645 176.3864 44 D 4.4770 8.5054 125.9249 56.3840 40.9189 178.3528 45 R 3.9611 7.5597 117.6977 57.8276 30.5461 177.5004 46 F 4.8682 7.2266 115.3345 57.6113 39.9762 177.8019 47 K 4.0126 7.9102 119.7947 59.7348 32.2280 176.8520 48 H 4.3763 8.1760 111.7786 56.9614 28.8707 175.5182 49 L 3.9952 7.3442 121.5274 55.0034 41.8389 176.8997 50 K 4.3822 9.0840 122.2005 56.9404 34.0418 176.6198 51 T 4.7328 7.3051 107.5835 58.9736 73.2766 174.1871 52 E 3.9583 8.5986 120.2138 58.9800 29.5827 178.3953 53 A 4.0018 7.9082 120.8100 55.0441 18.2941 179.2388 54 E 3.9461 7.9069 116.3977 59.6447 29.8013 179.2582 55 M 4.1541 8.1666 118.7375 58.3726 31.8636 178.7691 56 K 3.8823 8.1086 117.3435 59.4415 32.3851 178.5035 57 A 4.4273 7.7304 117.5045 51.7278 18.9130 177.1055 58 S 4.3746 7.7291 114.2738 57.1971 62.7532 174.5397 59 E 3.9974 8.9453 128.5696 59.5630 29.2791 178.7903 60 D 4.4820 8.2122 118.4135 57.5354 40.9717 178.4570 61 L 3.1724 7.8476 120.5519 57.8910 41.7821 178.9994 62 K 3.9086 7.8038 118.9619 59.3683 32.2575 178.9552 63 K 4.0103 8.0720 118.8848 59.8250 31.9163 178.8538 64 H 4.4147 8.6598 118.6902 59.0784 29.7939 177.5595 65 G 3.7207 8.3050 107.6130 47.3618 0.0000 175.9490 66 V 3.6631 7.5759 120.8392 66.0593 31.5431 178.0999 67 T 3.8684 7.8071 115.0692 66.6466 68.3938 176.0924 68 F 4.2267 8.3789 122.4804 61.3953 39.4130 176.9971 69 L 3.2165 7.8943 119.6101 58.1448 41.8569 178.6185 70 T 3.8906 8.0212 115.7640 66.8097 68.3289 176.0434 71 A 3.9521 7.8767 122.1703 55.1959 18.4554 179.2731 72 L 3.6875 7.7568 118.8209 58.1325 42.0301 179.3393 73 G 3.4437 8.1793 105.2652 47.8682 0.0000 175.4243 74 A 4.0026 7.8800 122.2172 54.7146 18.5367 179.6674 75 I 3.7788 7.3644 118.4319 64.5883 37.2171 178.5404 76 L 3.9548 7.5722 119.7335 57.7710 41.1702 179.7237 77 K 3.9230 7.6126 116.8948 58.5738 32.2315 178.9414 78 K 3.9411 7.6661 118.1454 56.4056 32.0073 176.9944 79 K 2.0000 8.2802 117.8139 56.5938 29.9663 175.1342 80 G 4.1362 7.9826 107.0639 46.5404 0.0000 175.1591 81 H 4.5825 7.4126 118.0252 54.9103 27.0674 174.6732 82 H 5.0883 7.2744 112.1473 53.9219 29.8682 176.3091 83 E 3.9626 8.5453 121.5667 60.3369 28.9969 179.2520 84 A 4.0626 7.9152 118.3085 54.8881 18.5568 179.0141 85 E 4.1274 8.0342 117.0404 59.3091 29.7250 178.8671 86 L 4.0948 8.2124 120.2744 57.7888 42.0347 178.7879 87 K 3.9745 7.8898 119.3331 59.0827 32.0689 177.3380 88 P 4.3594 0.0000 0.0000 65.6008 31.0930 178.1098 89 L 4.1052 7.4904 119.9461 57.9421 42.0236 178.6064 90 A 4.2356 8.3291 120.9483 55.1249 18.2973 179.4450 91 Q 3.8940 8.2270 118.5357 59.3102 29.0762 178.5780 92 S 4.0488 8.2208 115.3928 61.6759 63.2031 176.1939 93 H 4.1085 8.7481 119.7506 58.2973 28.3734 177.5159 94 A 2.8763 8.2378 122.7319 53.9189 17.9996 179.2007 95 T 3.9185 7.4121 112.6786 65.1153 69.6046 176.3706 96 K 3.9572 7.5056 119.9436 59.4691 32.6295 177.5255 97 H 4.3002 7.9124 114.9928 56.1969 29.0171 174.6632 98 K 3.3879 7.5305 118.6591 55.4141 28.1561 172.5876 99 I 4.4593 8.2652 119.8391 58.1573 39.2717 174.2824 100 P 4.6332 0.0000 0.0000 62.4046 32.1609 177.3702 101 I 3.6127 8.7357 121.3439 64.6416 37.0465 178.5318 102 K 3.8281 7.9662 119.7817 59.8824 31.8740 178.1988 103 Y 4.1035 8.1051 117.0984 61.0401 37.8084 178.4483 104 L 4.2685 7.9503 119.1741 57.4672 41.7286 179.1222 105 E 4.1296 7.9129 118.5465 59.0468 29.3181 179.0855 106 F 4.5098 7.8427 117.7405 60.7501 38.9217 177.6142 107 I 3.8546 8.0338 118.0802 63.9777 37.7622 178.1112 108 S 4.2402 8.2742 116.4201 61.4459 62.6253 176.1212 109 E 4.0952 8.3394 121.5295 58.9373 29.3756 178.6677 110 A 4.1063 7.8755 121.1208 54.8408 18.5307 179.6300 111 I 3.7602 8.1307 118.5710 64.8270 37.2550 178.8206 112 I 3.8859 8.0341 120.5102 64.3339 36.8139 178.0849 113 H 4.1036 8.3546 119.3409 59.2535 29.7490 177.4323 114 V 3.5410 7.8878 119.9164 66.0522 31.3036 177.9157 115 L 3.8264 7.8208 118.6251 57.9325 41.0765 178.9427 116 H 4.2991 7.8635 117.0603 59.3783 29.8574 177.2649 117 S 4.1836 7.8068 115.7810 61.8386 62.8384 176.6508 118 R 4.0242 8.0427 119.2242 57.7894 31.2453 176.6254 119 H 5.0156 8.3109 115.4353 53.8444 29.5126 172.6913 120 P 4.2766 0.0000 0.0000 65.7475 31.8811 179.4959 121 G 3.7349 8.1189 106.2931 47.2387 0.0000 173.6344 122 N 5.0561 8.3176 115.7517 52.9790 39.3712 174.4795 123 F 4.9807 7.9161 119.5234 56.7356 39.7360 174.7672 124 G 3.8857 7.8942 107.6731 43.6532 0.0000 172.6543 125 A 3.9009 8.5132 120.7696 55.6695 18.0641 179.6691 126 D 4.2281 7.9635 116.3148 57.3300 40.9063 178.7231 127 A 3.9121 7.7346 120.9301 55.0695 18.3821 179.3301 128 Q 3.1272 7.9609 118.6545 58.7413 28.9137 178.6313 129 G 3.4793 8.0363 106.7688 47.5906 0.0000 175.6400 130 A 3.8363 8.0507 123.3168 54.9550 18.3560 179.4022 131 M 3.9799 8.2198 116.9504 58.6960 32.2732 177.8993 132 N 4.2935 8.4827 117.5914 56.5767 39.1041 176.4212 133 K 3.7394 8.1384 120.8883 59.7011 32.2030 178.4516 134 A 3.8625 7.9204 120.7006 55.1921 18.1963 179.6316 135 L 4.1835 8.1983 117.4603 57.7393 41.6319 179.4962 136 E 3.9946 8.5775 119.1737 59.0308 29.3176 179.0730 137 L 3.9474 8.1729 120.5896 58.1551 42.2672 178.6299 138 F 4.1086 8.3701 120.5503 61.5239 39.1850 177.3516 139 R 3.4942 8.3523 117.7780 58.8312 29.9130 178.8148 140 K 3.7934 8.2338 119.7645 59.6873 32.2395 178.5710 141 D 4.2791 8.0812 118.9383 57.4338 40.6909 178.8105 142 I 3.4200 7.7839 120.3885 64.1931 36.9663 178.2826 143 A 3.6593 7.9828 121.6702 55.0125 18.1167 179.6074 144 A 3.9439 7.8752 119.1688 55.0281 18.5321 179.9583 145 K 3.8893 7.9444 116.9181 59.9078 32.1197 178.7687 146 Y 4.4283 8.2316 117.1383 61.3810 37.8333 179.0605 147 K 3.9315 8.1497 118.8670 59.8657 32.0561 179.1474 148 E 4.0435 7.9698 117.0334 59.1767 29.4587 178.6967 149 L 4.4196 7.6968 116.3772 54.7805 42.0928 177.5560 150 G 3.9410 8.0333 107.6162 45.2018 0.0000 172.3636 151 Y 4.6190 8.1968 121.1196 56.4647 39.7209 173.5384 152 Q 3.2251 8.6581 127.2925 53.2842 29.1686 173.3565 153 G 3.8520 8.8773 113.2194 45.7077 0.0000 173.3391 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 0 M 8.30 4.42 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.54 0.00 1 V 8.06 4.21 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 0.96 0.00 0.00 2 L 8.33 4.27 0.00 1.12 0.83 0.63 -0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 3 S 8.90 4.55 0.00 4.03 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 4 E 8.74 4.29 0.00 2.19 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 2.43 2.51 0.00 5 G 8.12 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 0.00 0.00 0.00 6 E 7.98 3.88 0.00 1.92 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 0.00 2.20 2.25 0.00 7 W 7.99 4.18 0.00 3.57 3.23 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 8 Q 8.51 4.18 0.00 2.29 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.46 2.69 0.00 9 L 8.00 4.10 0.00 1.85 1.74 0.88 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 10 V 7.86 3.71 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 1.16 0.00 0.00 0.89 0.00 0.00 11 L 8.67 4.40 0.00 1.81 1.81 0.96 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 12 H 8.17 4.28 0.00 3.32 3.56 0.00 5.95 0.00 0.00 0.00 0.00 6.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.84 3.73 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 1.09 0.00 0.00 0.89 0.00 0.00 14 W 8.48 3.91 0.00 3.64 3.14 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 15 A 7.77 4.06 1.33 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 16 K 7.70 3.99 0.00 1.54 1.70 0.00 1.64 0.00 0.00 1.47 0.00 0.00 2.67 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.47 7.81 17 V 7.16 2.90 0.95 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 -0.07 0.00 0.00 0.40 0.00 0.00 18 E 7.47 3.96 0.00 1.84 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 2.13 1.99 0.00 19 A 7.45 4.21 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 20 D 8.01 4.65 0.00 2.69 2.51 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.85 3.42 2.03 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 1.04 0.00 0.00 0.86 0.00 0.00 22 A 7.99 4.06 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 23 G 8.15 4.05 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 0.00 0.00 0.00 24 H 8.26 4.18 0.00 3.11 3.26 0.00 5.84 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.29 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 0.00 0.00 0.00 26 Q 8.04 3.88 0.00 2.30 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.73 0.00 0.00 0.00 0.00 0.00 2.30 2.34 0.00 27 D 8.09 4.32 0.00 2.90 2.66 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 28 I 7.86 3.72 2.09 0.00 0.00 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.00 0.99 0.00 0.00 29 L 7.63 3.35 0.00 1.37 0.94 0.76 0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 30 I 7.54 3.59 1.85 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.61 0.88 0.00 0.00 31 R 7.86 3.80 0.00 1.96 2.09 0.00 3.00 0.00 0.00 2.84 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.63 0.00 32 L 7.66 3.87 0.00 1.70 1.35 1.03 0.74 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 33 F 7.71 4.59 0.00 3.19 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 34 K 8.46 4.00 0.00 1.74 1.83 0.00 1.73 0.00 0.00 1.71 0.00 0.00 2.97 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.48 1.70 7.81 35 S 8.13 4.36 0.00 3.75 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 0.00 36 H 8.43 4.59 0.00 2.87 2.92 0.00 5.62 0.00 0.00 0.00 0.00 6.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.54 0.00 2.15 2.08 0.00 3.82 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 2.08 2.19 0.00 38 E 8.45 4.35 0.00 2.30 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 0.00 2.36 2.43 0.00 39 T 8.26 3.71 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 0.76 0.00 0.00 40 L 7.95 3.65 0.00 1.35 1.73 0.09 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 E 8.13 4.07 0.00 2.28 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 2.35 2.37 0.00 42 K 8.09 4.31 0.00 1.98 1.73 0.00 1.87 0.00 0.00 1.75 0.00 0.00 3.16 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.73 1.98 7.81 43 F 7.97 4.49 0.00 3.21 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 44 D 8.51 4.48 0.00 2.57 2.66 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 45 R 7.56 3.96 0.00 0.74 1.31 0.00 3.09 0.00 0.00 3.03 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.51 0.00 46 F 7.23 4.87 0.00 2.81 2.89 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 47 K 7.91 4.01 0.00 1.95 1.87 0.00 1.81 0.00 0.00 1.76 0.00 0.00 3.12 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.47 1.50 7.81 48 H 8.18 4.38 0.00 3.33 3.44 0.00 5.59 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 49 L 7.34 4.00 0.00 1.54 1.56 0.88 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 50 K 9.08 4.38 0.00 1.81 1.82 0.00 1.64 0.00 0.00 1.75 0.00 0.00 3.03 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.37 1.50 7.81 51 T 7.31 4.73 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 1.20 0.00 0.00 52 E 8.60 3.96 0.00 2.04 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 2.35 2.36 0.00 53 A 7.91 4.00 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 54 E 7.91 3.95 0.00 2.20 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 2.35 2.34 0.00 55 M 8.17 4.15 0.00 2.05 2.27 0.00 0.00 0.00 0.00 0.00 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.55 0.00 56 K 8.11 3.88 0.00 1.79 1.86 0.00 1.67 0.00 0.00 1.67 0.00 0.00 3.21 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.45 1.61 7.81 57 A 7.73 4.43 1.33 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 58 S 7.73 4.37 0.00 3.90 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 59 E 8.95 4.00 0.00 2.05 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 2.41 2.36 0.00 60 D 8.21 4.48 0.00 2.99 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 61 L 7.85 3.17 0.00 1.16 1.57 0.73 0.31 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 62 K 7.80 3.91 0.00 1.86 1.90 0.00 1.67 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.07 4.01 0.00 2.13 1.92 0.00 1.78 0.00 0.00 1.63 0.00 0.00 2.92 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.82 7.81 64 H 8.66 4.41 0.00 3.67 3.53 0.00 5.78 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.31 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 66 V 7.58 3.66 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 1.12 0.00 0.00 0.97 0.00 0.00 67 T 7.81 3.87 4.43 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 1.31 0.00 0.00 68 F 8.38 4.23 0.00 3.13 3.24 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 69 L 7.89 3.22 0.00 1.86 1.54 0.67 0.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.02 3.89 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 1.23 0.00 0.00 71 A 7.88 3.95 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 72 L 7.76 3.69 0.00 1.42 1.52 0.36 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.18 3.44 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 74 A 7.88 4.00 1.33 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 75 I 7.36 3.78 1.84 0.00 0.00 0.90 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 1.19 0.88 0.00 0.00 76 L 7.57 3.95 0.00 1.17 1.51 -0.21 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.61 3.92 0.00 1.66 1.80 0.00 1.80 0.00 0.00 1.71 0.00 0.00 3.14 0.00 0.00 3.28 0.00 0.00 0.00 0.00 1.46 1.48 7.81 78 K 7.67 3.94 0.00 1.79 1.76 0.00 1.74 0.00 0.00 1.60 0.00 0.00 2.96 0.00 0.00 2.86 0.00 0.00 0.00 0.00 1.58 1.83 7.81 79 K 8.28 2.00 0.00 1.28 0.74 0.00 1.50 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 2.90 0.00 0.00 0.00 0.00 0.30 0.65 7.81 80 G 7.98 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 0.00 0.00 0.00 81 H 7.41 4.58 0.00 3.19 3.23 0.00 5.80 0.00 0.00 0.00 0.00 6.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 H 7.27 5.09 0.00 3.30 3.44 0.00 5.68 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 E 8.55 3.96 0.00 2.09 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 2.43 2.50 0.00 84 A 7.92 4.06 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 85 E 8.03 4.13 0.00 2.27 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 0.00 2.40 2.43 0.00 86 L 8.21 4.09 0.00 2.03 1.70 0.97 0.50 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 87 K 7.89 3.97 0.00 1.97 1.86 0.00 1.75 0.00 0.00 1.72 0.00 0.00 3.01 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.49 1.64 7.81 88 P 0.00 4.36 0.00 2.31 2.35 0.00 3.63 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 2.25 2.06 0.00 89 L 7.49 4.11 0.00 1.90 1.95 1.00 1.14 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 90 A 8.33 4.24 1.52 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 91 Q 8.23 3.89 0.00 2.17 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.77 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 92 S 8.22 4.05 0.00 4.00 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 93 H 8.75 4.11 0.00 3.63 3.64 0.00 5.80 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 8.24 2.88 0.73 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 0.00 0.00 95 T 7.41 3.92 4.19 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 1.11 0.00 0.00 96 K 7.51 3.96 0.00 1.54 1.57 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.88 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.30 1.36 7.81 97 H 7.91 4.30 0.00 3.03 3.12 0.00 5.86 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 98 K 7.53 3.39 0.00 1.76 1.75 0.00 1.46 0.00 0.00 2.34 0.00 0.00 2.96 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.21 1.08 7.81 99 I 8.27 4.46 2.13 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 1.54 1.04 1.18 0.00 0.00 100 P 0.00 4.63 0.00 1.94 1.99 0.00 3.32 0.00 0.00 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.66 1.37 0.00 101 I 8.74 3.61 1.80 0.00 0.00 0.49 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 1.09 0.82 0.00 0.00 102 K 7.97 3.83 0.00 1.72 1.63 0.00 1.47 0.00 0.00 1.74 0.00 0.00 3.12 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.40 0.68 7.81 103 Y 8.11 4.10 0.00 3.24 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 0.00 104 L 7.95 4.27 0.00 1.85 1.84 0.78 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 105 E 7.91 4.13 0.00 2.14 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 0.00 2.34 2.32 0.00 106 F 7.84 4.51 0.00 3.17 2.81 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 0.00 107 I 8.03 3.85 1.97 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.52 1.11 0.00 0.00 108 S 8.27 4.24 0.00 4.23 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 0.00 109 E 8.34 4.10 0.00 2.16 2.30 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 2.38 2.41 0.00 110 A 7.88 4.11 1.37 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 0.00 0.00 111 I 8.13 3.76 2.16 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.03 1.07 0.00 0.00 112 I 8.03 3.89 2.09 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.89 1.14 0.00 0.00 113 H 8.35 4.10 0.00 3.42 3.52 0.00 5.79 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 0.00 114 V 7.89 3.54 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 0.98 0.00 0.00 0.98 0.00 0.00 115 L 7.82 3.83 0.00 0.94 0.27 0.88 0.78 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 0.00 116 H 7.86 4.30 0.00 3.44 3.61 0.00 5.95 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.81 4.18 0.00 3.92 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 0.00 118 R 8.04 4.02 0.00 1.58 1.61 0.00 3.11 0.00 0.00 2.94 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 1.62 0.00 119 H 8.31 5.02 0.00 3.17 3.19 0.00 5.62 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 0.00 120 P 0.00 4.28 0.00 2.21 2.25 0.00 3.74 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.92 0.00 121 G 8.12 3.73 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 0.00 0.00 0.00 122 N 8.32 5.06 0.00 2.79 2.95 0.00 0.00 6.65 7.48 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 0.00 123 F 7.92 4.98 0.00 2.94 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 0.00 124 G 7.89 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 0.00 125 A 8.51 3.90 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 0.00 126 D 7.96 4.23 0.00 2.65 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 A 7.73 3.91 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 0.00 128 Q 7.96 3.13 0.00 1.09 1.86 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 2.21 2.22 0.00 129 G 8.04 3.48 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 0.00 0.00 0.00 130 A 8.05 3.84 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 0.00 131 M 8.22 3.98 0.00 2.40 2.42 0.00 0.00 0.00 0.00 0.00 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.78 2.92 0.00 132 N 8.48 4.29 0.00 2.90 2.96 0.00 0.00 6.85 7.03 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 0.00 133 K 8.14 3.74 0.00 1.94 1.68 0.00 1.60 0.00 0.00 1.74 0.00 0.00 2.82 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.31 1.39 7.81 134 A 7.92 3.86 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 0.00 135 L 8.20 4.18 0.00 1.79 1.85 1.02 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.58 3.99 0.00 2.13 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.65 0.00 137 L 8.17 3.95 0.00 1.87 2.01 1.03 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.37 4.11 0.00 3.17 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 0.00 139 R 8.35 3.49 0.00 1.99 1.86 0.00 3.20 0.00 0.00 3.33 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 2.01 0.00 140 K 8.23 3.79 0.00 1.80 1.94 0.00 1.61 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.45 7.81 141 D 8.08 4.28 0.00 2.85 2.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 I 7.78 3.42 1.27 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 0.89 -0.11 0.08 0.00 0.00 143 A 7.98 3.66 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 0.00 144 A 7.88 3.94 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 K 7.94 3.89 0.00 2.01 1.97 0.00 1.74 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.58 1.66 7.81 146 Y 8.23 4.43 0.00 3.18 3.15 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 0.00 147 K 8.15 3.93 0.00 2.07 1.88 0.00 1.62 0.00 0.00 1.96 0.00 0.00 3.04 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.54 7.81 148 E 7.97 4.04 0.00 2.16 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 2.37 2.53 0.00 149 L 7.70 4.42 0.00 1.85 1.71 0.98 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.03 3.94 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 0.00 0.00 0.00 151 Y 8.20 4.62 0.00 2.69 2.56 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 0.00 0.00 0.00 0.00 152 Q 8.66 3.23 0.00 0.93 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.28 0.00 0.00 0.00 0.00 0.00 1.89 1.60 0.00 153 G 8.88 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 0.00 0.00 0.00