NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 V 4.1494 8.0549 120.3174 61.4824 32.8990 174.2316 4 R 4.6446 8.4874 122.2781 54.3222 32.4887 173.7520 5 S 6.0783 9.4707 118.9437 55.9111 67.7726 172.7809 6 L 4.9132 8.3997 119.2250 53.3996 46.2281 175.2565 7 N 5.4545 8.7644 118.9662 52.4854 40.9065 173.7257 8 C 5.1359 8.6481 115.6321 58.1414 33.5366 172.5580 9 T 5.1179 8.5686 109.6536 59.9484 71.7151 172.7851 10 L 5.3677 8.6085 121.6095 53.1836 44.9952 176.1825 11 R 5.0455 8.9511 120.9343 54.2790 34.4152 175.0558 12 D 4.5029 8.8013 123.6594 52.6497 40.8147 177.2298 13 S 4.2409 8.2620 112.7258 60.0861 63.0290 174.8205 14 Q 4.3404 8.0518 119.2126 55.6107 28.6048 175.5666 15 Q 3.6922 8.0058 115.1771 56.6212 26.9551 173.6410 16 K 4.2695 8.2623 118.0630 56.4236 33.4207 176.7790 17 S 4.9400 9.2330 120.0800 57.6570 65.3742 172.8853 18 L 5.3066 8.3651 121.3035 53.4191 43.9585 176.0791 19 V 4.7554 8.9940 115.8202 59.6016 36.5891 174.7699 20 M 4.5390 8.5443 122.7816 55.3727 32.6268 176.5599 21 S 4.5048 9.0968 119.2648 59.7860 64.5603 173.8237 22 G 4.0325 7.4090 108.7313 43.4239 0.0000 169.8586 23 P 4.0441 0.0000 0.0000 65.1977 31.4530 176.6084 24 Y 4.9800 7.6666 113.7944 57.0982 39.3894 174.1729 25 E 4.8790 7.9997 119.7027 54.5895 33.6666 173.8139 26 L 5.3114 8.6031 123.9256 52.9860 45.3994 175.4583 27 K 5.2484 9.5967 120.8165 54.5638 36.7542 174.7580 28 A 5.4549 8.5732 123.3700 50.1998 21.6864 175.4467 29 L 4.8775 9.0326 121.9314 54.4313 44.6416 174.9782 30 H 4.6981 9.1772 118.4617 55.7550 28.7648 175.0905 31 L 4.9046 8.3635 122.7225 53.1650 45.2874 175.7723 32 Q 4.4610 8.5077 120.0149 56.2022 32.1151 175.4742 33 G 3.8502 8.6162 110.1696 44.7340 0.0000 173.5735 34 Q 3.9671 8.5803 115.7448 59.1440 28.1745 177.5576 35 D 4.4938 8.0504 119.1028 56.4876 41.1997 176.7983 36 M 4.3736 8.2003 118.6652 56.8075 31.9149 177.5664 37 E 4.0651 7.9743 117.9951 58.8844 29.9428 178.6685 38 Q 4.0632 7.6774 119.1688 57.5833 29.1158 176.9892 39 Q 4.2448 7.1512 117.9158 56.1260 29.0526 176.5004 40 V 3.5562 8.1574 121.7587 62.8961 32.5161 175.1358 41 V 4.2152 7.9898 126.7463 61.3162 33.4935 174.4902 42 F 4.9382 8.9907 126.9476 56.3575 41.6265 175.1610 43 S 5.0186 8.9378 117.0836 56.8275 63.9341 171.9827 44 M 4.6094 9.0222 128.2559 54.7691 33.2766 174.7660 45 S 5.2222 8.7969 122.8473 56.8497 65.9670 173.7828 46 F 4.7954 9.1300 123.5533 57.0970 38.9445 175.6319 47 V 4.5119 7.8111 117.1883 59.3476 34.2558 175.8350 48 Q 4.2524 9.1019 121.0431 55.2366 29.2411 176.8722 49 G 4.1066 8.1968 111.2562 44.9317 0.0000 171.6983 50 E 4.1480 8.1712 119.3977 56.1151 29.9687 176.3904 51 E 5.0020 8.4666 122.5554 54.6065 33.1139 174.2252 52 S 4.6815 8.6877 116.4931 56.9966 66.3201 174.6652 53 N 4.3393 8.8598 117.2238 55.6886 38.4286 175.8846 54 D 4.7668 8.3625 115.4610 52.6432 40.6619 175.1255 55 K 4.9300 7.7254 121.7749 54.8996 35.1721 174.6483 56 I 4.9665 8.7315 128.9439 58.5515 40.1350 173.3770 57 P 4.9625 0.0000 0.0000 63.1297 32.5492 175.8345 58 V 4.7061 9.3669 115.9838 59.7931 36.9412 173.6899 59 A 5.3738 8.8106 122.6580 50.3007 22.4520 175.3442 60 L 4.6661 8.8858 121.0878 53.1827 44.0476 176.0081 61 G 3.5927 8.5885 111.2035 43.8210 0.0000 171.0494 62 L 4.4780 8.0007 120.1898 52.7738 43.2434 176.8832 63 K 3.8798 8.6644 125.3254 58.1380 32.2782 176.0119 64 E 3.8744 9.0311 124.1118 56.9560 26.8373 174.0911 65 K 4.5805 7.9064 117.0266 54.6592 36.5748 176.9571 66 N 4.8997 8.5211 121.5457 52.6043 35.9563 174.7090 67 L 5.3971 7.3380 118.5807 53.9542 45.9681 177.0892 68 Y 5.0670 9.2926 121.1804 55.8032 42.4947 174.9010 69 L 4.8243 9.1303 122.8076 55.0314 43.0036 176.2023 70 S 5.0242 9.5609 117.5373 56.8392 66.5855 172.2445 71 C 5.3173 8.6119 122.9129 58.2842 29.9415 173.7852 72 V 4.7006 8.6902 116.5475 59.2526 36.2733 174.8125 73 L 4.3659 8.4543 122.4004 54.3646 42.5041 176.7676 74 K 4.3698 8.6107 124.0729 56.0255 35.1735 175.8135 75 D 4.4180 9.7323 126.0475 55.6914 38.4548 173.9703 76 D 4.5262 8.4268 113.4902 54.4833 38.7609 173.9628 77 K 4.3823 8.0243 120.5120 53.5781 36.0209 173.7780 78 P 3.7529 0.0000 0.0000 62.9817 31.5325 175.8427 79 T 4.6922 8.4275 120.2145 61.6084 72.8850 172.7066 80 L 5.0751 8.6587 127.0736 54.4363 43.5219 175.3030 81 Q 4.7355 9.6559 122.8374 55.1551 32.8853 172.8857 82 L 5.1657 8.5488 119.5127 53.3479 43.2573 175.8433 83 E 4.8099 9.4598 124.9116 54.4679 32.8470 174.9798 84 S 5.2389 8.7762 121.6515 58.2246 64.2457 173.7061 85 V 4.4890 8.3132 115.2106 58.9962 35.7621 175.1381 86 D 4.4319 8.7146 122.0663 53.8413 41.3011 175.5733 87 P 4.4379 0.0000 0.0000 64.9482 31.4883 177.2510 88 K 4.2737 8.1431 117.2329 58.0884 33.1995 177.2184 89 N 4.5736 7.9001 115.2927 53.6400 39.0621 174.4093 90 Y 4.5231 7.5620 115.1172 55.0621 41.4198 173.4012 91 P 4.6721 0.0000 0.0000 62.3214 32.5723 174.9117 92 K 4.5948 7.8574 117.0156 54.2947 36.1061 176.5550 93 K 4.0713 8.4603 120.3349 58.1601 32.3928 175.5150 94 K 4.6310 7.6358 120.2490 54.6723 31.3670 173.9258 95 M 4.4234 8.0221 123.3171 53.5768 33.8606 175.9058 96 E 4.1828 8.8678 124.2170 56.2529 30.7132 178.0070 97 K 3.8530 8.7146 122.7606 59.4638 32.6195 179.1929 98 R 3.7491 7.7583 114.7651 58.4603 29.3740 177.8434 99 F 4.9031 7.5595 114.5851 57.3280 39.6767 175.5733 100 V 4.4795 7.4227 121.8924 61.7947 32.9585 174.7382 101 F 5.1446 9.3971 125.9959 55.7220 43.0673 173.8567 102 N 5.0657 9.6225 120.7682 52.0240 40.1547 174.2404 103 K 4.3924 9.2937 127.1459 55.5145 33.4873 175.2481 104 I 5.4495 8.3887 129.4794 58.8913 39.6348 174.6057 105 E 4.8450 8.7391 126.7742 55.2499 31.2258 176.7993 106 I 4.3735 8.7087 125.3611 61.0118 39.8725 174.6719 107 N 4.6245 8.5691 124.5939 53.4825 35.1401 175.4503 108 N 4.7146 8.6364 121.7382 54.5283 39.3568 174.9199 109 K 4.7890 7.4534 117.7105 55.4837 34.4132 175.6305 110 L 5.2818 8.7789 120.9428 53.1526 45.8579 175.6416 111 E 5.1760 8.9821 120.5929 54.6604 34.2659 174.9831 112 F 5.1808 9.0029 120.7178 55.9724 42.0577 173.3253 113 E 4.7569 9.0286 125.8713 54.0589 31.5244 175.1550 114 S 4.1067 9.3136 122.7590 58.3689 62.4375 174.0968 115 A 3.9950 8.4771 129.4790 55.1732 18.3211 179.0262 116 Q 3.4715 7.9497 115.6155 58.5638 29.3791 176.2427 117 F 4.6629 8.1899 122.1556 54.5145 39.0215 172.9127 118 P 4.5333 0.0000 0.0000 64.1909 31.5519 176.5407 119 N 4.2647 9.4407 119.1481 53.5850 36.6779 173.5222 120 W 4.7913 7.9768 119.1408 55.2454 31.3022 174.8235 121 Y 5.4899 8.8503 121.7841 55.8652 41.3775 175.1753 122 I 4.3188 8.9995 123.8810 61.8581 37.7950 175.8167 123 S 5.0988 9.2215 122.2851 57.0471 67.7001 172.8676 124 T 5.1065 8.6808 110.9103 60.2187 72.2378 173.3651 125 S 5.0492 8.7193 118.1253 57.5547 64.2415 174.7655 126 Q 4.0386 8.7505 120.1573 58.8102 28.7829 177.3840 127 A 4.2104 7.7174 118.9899 51.7726 19.1136 176.1674 128 E 4.2013 8.4902 120.4347 56.6798 30.4578 175.6125 129 N 4.2208 8.5799 121.9984 54.9705 38.3379 173.6380 130 M 4.6930 7.6799 114.2534 52.5246 34.7733 173.9754 131 P 4.9100 0.0000 0.0000 62.7268 32.3782 176.4215 132 V 4.2892 8.6383 123.6523 62.9146 32.5888 174.9937 133 F 5.1113 8.6859 121.0747 55.7684 42.2672 172.5959 134 L 5.1172 8.9397 118.9345 53.6224 42.7397 176.6254 135 G 4.2284 9.2138 112.2034 44.3095 0.0000 173.7440 136 G 2.1221 7.7746 112.6638 44.9497 0.0000 173.1005 137 T 4.4962 7.1236 113.1302 59.8264 70.4297 172.7986 138 K 4.3229 8.3369 126.9920 55.5906 34.0375 174.4802 139 G 4.0859 8.6842 115.3127 44.9379 0.0000 173.6266 140 G 3.8082 7.8785 114.4848 45.2616 0.0000 171.8610 141 Q 4.2034 8.4146 129.8155 56.5795 28.6609 173.5935 142 D 4.7107 7.6598 116.5369 54.2803 41.8235 175.6678 143 I 4.3453 8.4625 123.7727 60.4202 38.6186 176.2112 144 T 5.0352 8.4519 114.7553 61.0136 70.1602 173.0391 145 D 5.4189 7.6460 121.8036 51.9912 42.7158 174.8200 146 F 5.4402 9.3934 118.7244 56.2603 44.2608 173.4330 147 T 5.0455 9.3280 110.1552 60.2522 71.8166 172.6549 148 M 5.2861 8.6194 121.6609 53.9330 35.3638 174.6236 149 Q 4.7566 8.7590 123.0452 54.1159 32.4451 174.7494 150 F 4.8764 9.2894 122.6309 57.5333 39.5073 175.7020 151 V 4.3659 9.0936 114.9848 60.5501 34.2380 176.4100 152 S 5.9607 7.9809 125.9716 58.2256 62.5111 177.0474 153 S 4.4350 8.2829 123.7724 59.9679 62.5663 174.5754 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 3 V 8.05 4.15 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 0.95 0.00 0.00 1.05 0.00 0.00 4 R 8.49 4.64 0.00 2.00 1.97 0.00 3.08 0.00 0.00 3.36 7.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 5 S 9.47 6.08 0.00 3.79 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 6 L 8.40 4.91 0.00 1.71 1.70 1.46 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 7 N 8.76 5.45 0.00 2.78 2.75 0.00 0.00 6.57 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 8 C 8.65 5.14 0.00 2.90 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 9 T 8.57 5.12 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 1.22 0.00 0.00 10 L 8.61 5.37 0.00 1.48 1.55 -0.23 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 11 R 8.95 5.05 0.00 1.79 1.81 0.00 3.16 0.00 0.00 3.25 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.60 0.00 12 D 8.80 4.50 0.00 2.24 2.50 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 13 S 8.26 4.24 0.00 3.95 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 14 Q 8.05 4.34 0.00 2.16 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.63 0.00 0.00 0.00 0.00 0.00 2.25 2.29 0.00 15 Q 8.01 3.69 0.00 2.29 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.49 6.87 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 16 K 8.26 4.27 0.00 1.81 1.77 0.00 1.55 0.00 0.00 1.53 0.00 0.00 2.85 0.00 0.00 3.15 0.00 0.00 0.00 0.00 0.86 1.24 7.81 17 S 9.23 4.94 0.00 3.74 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 18 L 8.37 5.31 0.00 1.73 1.63 1.10 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 19 V 8.99 4.76 2.07 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 0.81 0.00 0.00 0.93 0.00 0.00 20 M 8.54 4.54 0.00 1.93 1.92 0.00 0.00 0.00 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.35 0.00 21 S 9.10 4.50 0.00 3.95 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 22 G 7.41 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 23 P 0.00 4.04 0.00 0.88 1.79 0.00 3.69 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.89 0.00 24 Y 7.67 4.98 0.00 3.03 2.88 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 25 E 8.00 4.88 0.00 2.05 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 2.33 2.40 0.00 26 L 8.60 5.31 0.00 1.71 1.57 0.87 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 27 K 9.60 5.25 0.00 1.61 1.76 0.00 1.73 0.00 0.00 1.72 0.00 0.00 2.88 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.36 1.51 7.81 28 A 8.57 5.45 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 29 L 9.03 4.88 0.00 1.84 1.73 0.93 0.84 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 30 H 9.18 4.70 0.00 3.30 3.34 0.00 5.79 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 L 8.36 4.90 0.00 1.59 1.53 0.99 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 32 Q 8.51 4.46 0.00 1.98 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.52 0.00 0.00 0.00 0.00 0.00 2.26 2.36 0.00 33 G 8.62 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 34 Q 8.58 3.97 0.00 2.29 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.86 6.87 0.00 0.00 0.00 0.00 0.00 2.41 2.42 0.00 35 D 8.05 4.49 0.00 2.77 2.70 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 0.00 0.00 0.00 0.00 36 M 8.20 4.37 0.00 2.10 2.21 0.00 0.00 0.00 0.00 0.00 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 37 E 7.97 4.07 0.00 2.13 2.07 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 2.39 2.33 0.00 38 Q 7.68 4.06 0.00 2.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.84 0.00 0.00 0.00 0.00 0.00 2.38 2.53 0.00 39 Q 7.15 4.24 0.00 2.09 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.65 2.28 0.00 40 V 8.16 3.56 1.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.14 0.00 0.00 0.74 0.00 0.00 41 V 7.99 4.22 1.98 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 0.98 0.00 0.00 0.88 0.00 0.00 42 F 8.99 4.94 0.00 3.09 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 43 S 8.94 5.02 0.00 3.84 3.69 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 44 M 9.02 4.61 0.00 2.03 1.78 0.00 0.00 0.00 0.00 0.00 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 1.88 0.00 45 S 8.80 5.22 0.00 3.84 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 46 F 9.13 4.80 0.00 3.00 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 47 V 7.81 4.51 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 0.76 0.00 0.00 0.98 0.00 0.00 48 Q 9.10 4.25 0.00 1.90 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 7.11 0.00 0.00 0.00 0.00 0.00 2.41 2.49 0.00 49 G 8.20 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 50 E 8.17 4.15 0.00 1.98 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.24 0.00 51 E 8.47 5.00 0.00 1.90 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 2.43 2.31 0.00 52 S 8.69 4.68 0.00 3.99 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 53 N 8.86 4.34 0.00 2.75 2.94 0.00 0.00 6.69 8.06 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 54 D 8.36 4.77 0.00 2.82 2.88 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 55 K 7.73 4.93 0.00 1.96 1.69 0.00 1.59 0.00 0.00 1.66 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.34 1.40 7.81 56 I 8.73 4.97 2.01 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.98 1.20 0.00 0.00 57 P 0.00 4.96 0.00 2.24 2.22 0.00 3.48 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.26 2.30 0.00 58 V 9.37 4.71 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 0.37 0.00 0.00 1.05 0.00 0.00 59 A 8.81 5.37 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 60 L 8.89 4.67 0.00 1.31 1.18 -0.39 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 0.00 0.00 0.00 0.00 61 G 8.59 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 62 L 8.00 4.48 0.00 1.44 1.36 0.84 0.92 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 63 K 8.66 3.88 0.00 1.65 1.67 0.00 1.95 0.00 0.00 1.67 0.00 0.00 3.00 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.43 1.51 7.81 64 E 9.03 3.87 0.00 2.10 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 2.18 2.36 0.00 65 K 7.91 4.58 0.00 1.57 1.57 0.00 1.57 0.00 0.00 1.66 0.00 0.00 2.91 0.00 0.00 2.75 0.00 0.00 0.00 0.00 1.29 1.40 7.81 66 N 8.52 4.90 0.00 3.05 3.06 0.00 0.00 6.00 6.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 L 7.34 5.40 0.00 1.46 1.54 0.81 0.98 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 68 Y 9.29 5.07 0.00 2.79 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 69 L 9.13 4.82 0.00 1.60 1.66 0.56 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 70 S 9.56 5.02 0.00 3.93 3.71 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 71 C 8.61 5.32 0.00 2.94 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 72 V 8.69 4.70 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 0.67 0.00 0.00 0.88 0.00 0.00 73 L 8.45 4.37 0.00 1.50 1.51 0.95 0.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 74 K 8.61 4.37 0.00 1.69 1.51 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.93 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.39 7.81 75 D 9.73 4.42 0.00 2.76 2.65 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 76 D 8.43 4.53 0.00 2.78 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 77 K 8.02 4.38 0.00 1.64 1.59 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.06 1.40 7.81 78 P 0.00 3.75 0.00 0.49 0.49 0.00 2.38 0.00 0.00 2.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.66 0.00 79 T 8.43 4.69 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 1.21 0.00 0.00 80 L 8.66 5.08 0.00 1.78 1.68 1.18 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 81 Q 9.66 4.74 0.00 2.10 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.57 0.00 0.00 0.00 0.00 0.00 2.24 2.36 0.00 82 L 8.55 5.17 0.00 1.86 1.87 0.99 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 0.00 0.00 0.00 0.00 0.00 0.00 83 E 9.46 4.81 0.00 2.10 2.07 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 2.32 2.28 0.00 84 S 8.78 5.24 0.00 3.88 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 85 V 8.31 4.49 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 0.00 0.00 0.05 0.00 0.00 0.68 0.00 0.00 86 D 8.71 4.43 0.00 2.77 2.72 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 87 P 0.00 4.44 0.00 2.26 2.22 0.00 3.86 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 1.99 0.00 88 K 8.14 4.27 0.00 1.93 2.00 0.00 1.60 0.00 0.00 1.72 0.00 0.00 3.51 0.00 0.00 3.11 0.00 0.00 0.00 0.00 1.53 1.41 7.81 89 N 7.90 4.57 0.00 2.72 2.62 0.00 0.00 6.77 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 90 Y 7.56 4.52 0.00 2.90 2.68 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.67 0.00 2.25 2.27 0.00 3.78 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 2.06 2.11 0.00 92 K 7.86 4.59 0.00 1.57 1.55 0.00 1.64 0.00 0.00 1.38 0.00 0.00 2.45 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.93 0.71 7.81 93 K 8.46 4.07 0.00 1.75 1.78 0.00 1.72 0.00 0.00 1.81 0.00 0.00 2.92 0.00 0.00 3.39 0.00 0.00 0.00 0.00 1.52 1.38 7.81 94 K 7.64 4.63 0.00 1.70 1.67 0.00 1.71 0.00 0.00 1.76 0.00 0.00 3.03 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.31 1.44 7.81 95 M 8.02 4.42 0.00 2.06 1.95 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.60 0.00 96 E 8.87 4.18 0.00 2.35 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 0.00 2.54 2.46 0.00 97 K 8.71 3.85 0.00 1.70 1.70 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.85 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.64 1.26 7.81 98 R 7.76 3.75 0.00 1.94 1.93 0.00 2.62 0.00 0.00 3.06 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.50 0.00 99 F 7.56 4.90 0.00 3.27 3.13 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 0.00 100 V 7.42 4.48 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 1.04 0.00 0.00 1.02 0.00 0.00 101 F 9.40 5.14 0.00 3.15 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 0.00 102 N 9.62 5.07 0.00 2.61 2.78 0.00 0.00 6.66 5.12 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 0.00 103 K 9.29 4.39 0.00 1.84 1.86 0.00 1.61 0.00 0.00 1.78 0.00 0.00 3.02 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.27 0.90 7.81 104 I 8.39 5.45 1.88 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 1.28 0.46 0.93 0.00 0.00 105 E 8.74 4.85 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 2.38 2.31 0.00 106 I 8.71 4.37 1.85 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 1.27 1.06 0.89 0.00 0.00 107 N 8.57 4.62 0.00 2.83 2.88 0.00 0.00 7.17 8.00 0.00 0.00 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 N 8.64 4.71 0.00 2.71 2.88 0.00 0.00 6.72 7.61 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 0.00 109 K 7.45 4.79 0.00 1.94 1.70 0.00 1.49 0.00 0.00 1.63 0.00 0.00 2.86 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.51 1.62 7.81 110 L 8.78 5.28 0.00 1.82 1.21 0.98 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 111 E 8.98 5.18 0.00 1.90 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 2.35 2.21 0.00 112 F 9.00 5.18 0.00 2.93 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 0.00 113 E 9.03 4.76 0.00 1.91 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 1.97 1.47 0.00 114 S 9.31 4.11 0.00 3.98 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 0.00 115 A 8.48 4.00 1.20 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 0.00 116 Q 7.95 3.47 0.00 1.60 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.49 6.93 0.00 0.00 0.00 0.00 0.00 1.34 1.16 0.00 117 F 8.19 4.66 0.00 3.05 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 0.00 118 P 0.00 4.53 0.00 2.11 2.03 0.00 3.86 0.00 0.00 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.10 0.00 119 N 9.44 4.26 0.00 2.91 3.05 0.00 0.00 6.92 7.43 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 0.00 120 W 7.98 4.79 0.00 3.54 3.25 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 0.00 121 Y 8.85 5.49 0.00 2.98 2.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 I 9.00 4.32 1.81 0.00 0.00 -0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.47 0.63 0.00 0.00 123 S 9.22 5.10 0.00 2.72 3.32 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 0.00 124 T 8.68 5.11 4.31 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 1.36 0.00 0.00 125 S 8.72 5.05 0.00 3.86 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 0.00 126 Q 8.75 4.04 0.00 2.06 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.04 0.00 0.00 0.00 0.00 0.00 2.51 2.31 0.00 127 A 7.72 4.21 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 0.00 128 E 8.49 4.20 0.00 1.96 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 2.30 2.38 0.00 129 N 8.58 4.22 0.00 2.91 2.86 0.00 0.00 7.11 6.97 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 0.00 130 M 7.68 4.69 0.00 2.00 2.01 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 2.63 2.70 0.00 131 P 0.00 4.91 0.00 2.04 2.06 0.00 3.70 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 2.05 2.12 0.00 132 V 8.64 4.29 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 0.83 0.00 0.00 1.04 0.00 0.00 133 F 8.69 5.11 0.00 3.32 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 0.00 134 L 8.94 5.12 0.00 1.78 2.09 0.98 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 135 G 9.21 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 0.00 0.00 0.00 0.00 136 G 7.77 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 0.00 0.00 0.00 0.00 0.00 0.00 137 T 7.12 4.50 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 1.16 0.00 0.00 138 K 8.34 4.32 0.00 1.58 1.44 0.00 1.23 0.00 0.00 0.61 0.00 0.00 2.61 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.70 0.90 7.81 139 G 8.68 4.09 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 0.00 0.00 0.00 0.00 0.00 0.00 140 G 7.88 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 0.00 0.00 0.00 141 Q 8.41 4.20 0.00 2.19 2.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.76 6.94 0.00 0.00 0.00 0.00 0.00 2.22 2.36 0.00 142 D 7.66 4.71 0.00 2.81 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 143 I 8.46 4.35 1.71 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 1.21 0.67 0.62 0.00 0.00 144 T 8.45 5.04 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 1.11 0.00 0.00 145 D 7.65 5.42 0.00 2.65 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 0.00 146 F 9.39 5.44 0.00 3.13 3.09 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 0.00 0.00 0.00 147 T 9.33 5.05 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 1.30 0.00 0.00 148 M 8.62 5.29 0.00 1.90 1.91 0.00 0.00 0.00 0.00 0.00 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.03 0.00 149 Q 8.76 4.76 0.00 2.08 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.76 0.00 0.00 0.00 0.00 0.00 2.31 2.40 0.00 150 F 9.29 4.88 0.00 2.86 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 0.00 151 V 9.09 4.37 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 0.79 0.00 0.00 0.97 0.00 0.00 152 S 7.98 5.96 0.00 4.09 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 0.00 153 S 8.28 4.43 0.00 4.01 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