NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 S 4.4354 8.3193 115.2938 58.5629 63.6759 173.0389 3 T 4.5405 7.9113 116.0820 58.3034 73.0921 172.2581 4 P 4.2156 0.0000 0.0000 65.8220 31.5714 179.7444 5 A 4.3271 7.9665 120.0995 54.9012 18.3602 179.7899 6 R 3.9346 7.8625 116.4486 59.4642 30.0874 179.6164 7 R 4.0238 8.5984 118.4705 58.9968 30.0341 179.0118 8 R 3.9122 8.2650 118.6735 59.5673 30.1707 178.5328 9 L 4.0950 8.3810 119.0054 58.2273 41.5758 179.5271 10 M 4.3524 8.2211 118.7149 58.5208 31.9983 179.0232 11 R 4.0741 8.1309 118.3687 59.2920 30.3111 178.8198 12 D 4.5435 8.4967 118.9789 57.2819 40.7698 178.5844 13 F 4.9035 8.7896 121.4495 61.2096 39.4268 177.0795 14 K 3.7399 8.3308 119.3882 59.5902 32.0889 178.7065 15 R 3.9644 7.9863 118.4280 59.8307 29.7550 178.4103 16 M 4.2992 8.0220 117.4362 58.1111 32.0510 178.6236 17 K 4.1412 8.1540 118.2479 59.6782 32.2706 178.0699 18 E 4.2781 8.1951 117.3487 56.4472 30.7843 176.6855 19 D 4.7520 8.0596 120.6843 53.3654 41.1257 177.4327 20 A 4.2070 7.6947 122.1126 51.4889 19.5502 176.3893 21 P 4.4877 0.0000 0.0000 61.5529 32.1831 174.3045 22 P 4.3055 0.0000 0.0000 64.0900 31.7256 177.2524 23 G 4.1038 9.2513 111.3365 45.0384 0.0000 172.8952 24 V 5.1909 7.2558 112.3380 59.6935 34.7167 175.4376 25 S 4.9213 8.8754 116.9131 57.3481 66.5401 172.7120 26 A 5.3669 8.5463 122.1254 51.5915 22.2887 175.5930 27 S 3.9618 8.7758 112.1124 56.4889 66.5044 173.1996 28 P 4.1374 0.0000 0.0000 61.5531 32.3673 176.0382 29 L 4.0055 8.2185 121.2726 53.9715 42.0868 176.8409 30 P 4.2371 0.0000 0.0000 65.2806 30.9836 176.6301 31 D 4.8004 7.6751 115.8131 52.2146 39.7377 175.5508 32 N 4.4553 7.9246 118.3553 53.6764 39.9394 175.0644 33 V 3.7476 8.3208 124.6976 62.9378 31.9952 176.7648 34 M 4.5233 8.8276 120.8057 55.6306 32.7501 175.2648 35 V 5.0377 7.8739 120.1231 60.9502 34.5299 174.2462 36 W 5.3546 9.7996 127.7439 55.0175 33.0215 174.1799 37 N 5.5198 9.0312 119.5302 51.8032 41.1394 173.7424 38 A 5.2756 8.7727 123.3178 51.2839 24.0126 174.5687 39 M 5.3129 9.0782 114.9844 54.4409 35.2483 173.9059 40 I 5.0864 9.2491 123.1511 59.5525 40.2823 174.8688 41 I 4.3717 8.8272 129.4017 60.5870 37.9802 176.0631 42 G 4.2234 9.4991 114.8724 45.3514 0.0000 171.2585 43 P 4.5616 0.0000 0.0000 65.1008 32.3235 178.4909 44 A 3.2330 8.0579 115.6762 53.5017 19.7879 179.1867 45 D 4.9030 9.0273 120.0597 52.7830 41.3447 175.7072 46 T 4.8836 7.2599 109.6405 58.8932 72.3007 173.5160 47 P 4.4192 0.0000 0.0000 64.5942 31.5472 176.6342 48 Y 4.3435 8.0440 116.7325 59.0624 38.3642 174.7411 49 E 4.0714 7.9230 119.9817 57.5082 29.8110 177.1667 50 D 4.6799 9.2780 125.0800 54.6698 39.6505 174.1774 51 G 2.9864 7.4361 107.9312 46.0562 0.0000 174.0234 52 T 4.6075 7.8075 116.1565 60.1694 67.5826 172.5456 53 F 4.8165 8.3783 126.6459 58.0079 40.4627 174.7978 54 R 5.1449 9.4116 121.8178 55.0303 31.8759 175.4410 55 L 5.1777 8.9859 120.4880 52.8942 46.9399 174.9462 56 L 5.0941 8.8678 121.6319 53.4284 45.2520 174.8512 57 L 4.9377 8.8968 126.2584 52.8334 44.5945 175.2165 58 E 5.0163 8.7129 123.4696 54.7610 32.2574 175.8602 59 F 4.8674 9.1650 124.4359 56.2309 41.6321 174.1998 60 D 4.7753 8.1534 117.3637 52.4089 41.9483 175.4437 61 E 4.2429 8.7841 117.0936 58.5478 29.6768 177.5515 62 E 4.4039 8.4410 118.2730 56.4423 30.2062 175.6173 63 Y 4.8775 8.1108 121.3141 56.6073 39.6178 174.0487 64 P 4.2811 0.0000 0.0000 62.8424 31.9706 177.5348 65 N 4.5088 8.2683 117.6923 55.5387 38.6958 175.1239 66 K 4.4098 8.0980 119.5805 53.4251 34.1484 173.9067 67 P 3.2250 0.0000 0.0000 61.1870 31.9025 173.6685 68 P 4.2607 0.0000 0.0000 62.0862 32.9429 174.6467 69 H 4.4595 8.6250 120.7810 55.2659 30.8550 173.8766 70 V 4.7350 7.9092 125.4762 60.8784 33.9295 174.4990 71 K 4.7769 8.2796 124.7008 55.6032 36.3189 175.1051 72 F 4.7617 9.1403 121.5776 57.1182 39.7423 176.2187 73 L 4.3762 9.0704 125.3101 56.6998 42.1592 177.9277 74 S 4.5265 8.0796 113.3692 57.6503 63.6381 173.3328 75 E 4.1810 8.6794 123.8315 56.5113 29.9739 176.0493 76 M 4.8254 8.3951 124.4037 53.7056 35.6137 175.6194 77 F 4.6903 8.3123 122.2205 56.7542 40.2638 172.2559 78 H 4.9058 7.7549 123.3790 53.0895 32.9528 172.3404 79 P 4.1178 0.0000 0.0000 65.3733 31.3782 177.2588 80 N 4.6033 8.0304 112.9635 52.4840 38.8619 173.8382 81 V 4.4787 7.3275 118.8368 60.8365 33.6842 175.1974 82 Y 4.3095 8.5680 124.7670 57.4101 38.4125 176.7400 83 A 4.1791 8.6881 123.7783 54.4429 18.5273 178.0724 84 N 4.7038 8.3224 111.4672 52.5071 38.2170 175.7368 85 G 4.1494 8.3342 109.1608 45.6414 0.0000 174.0512 86 E 4.5112 8.8600 119.6080 56.5806 30.0838 175.5166 87 I 4.8418 8.0904 121.3159 59.7754 39.9541 174.9887 88 C 4.5258 8.6162 127.6311 58.4340 31.9860 173.1617 89 L 4.3264 8.8195 129.5953 54.1282 44.5331 175.3370 90 D 4.4145 9.2257 127.3400 56.7654 39.3351 179.0825 91 I 3.5611 7.8635 120.0219 63.8924 37.1545 177.7408 92 L 4.3598 7.9821 118.7282 56.1038 43.1848 177.3767 93 Q 4.4500 8.0253 114.3673 55.6398 27.9803 178.4433 94 N 4.4825 9.3819 125.6407 56.4074 37.6256 175.7740 95 R 4.4968 7.8629 116.1388 55.6077 30.2901 175.9867 96 W 4.3886 7.9164 126.9695 56.7908 31.4806 175.5735 97 T 4.6139 7.1836 113.3197 59.0102 71.1718 173.0164 98 P 5.1270 0.0000 0.0000 64.2535 31.4688 177.6364 99 T 3.9293 6.9233 106.9996 63.4253 69.1543 174.9698 100 Y 3.9721 6.8444 119.9956 57.9930 38.4479 174.6670 101 D 5.4091 9.5367 123.1190 50.9903 44.0024 176.3589 102 V 3.5382 8.5652 118.2860 66.4456 31.1240 177.3983 103 A 4.0824 8.1927 119.7003 55.5567 18.2802 179.6040 104 S 4.7115 8.3214 113.1631 61.0015 62.9953 176.8006 105 I 3.7535 8.4311 123.8253 64.3678 36.9547 178.2410 106 L 4.0416 8.3238 120.3826 58.0770 41.4566 179.8150 107 T 3.9698 8.3378 109.9809 64.9241 68.4755 176.6848 108 S 4.1445 7.9486 117.1074 61.5374 63.2771 176.5512 109 I 3.7886 7.6618 121.9250 64.1421 36.9018 178.1429 110 Q 4.3263 8.2275 120.5396 59.6005 28.9151 178.7392 111 S 4.2708 8.4286 116.0090 61.3996 62.7719 176.6270 112 L 3.9226 7.6094 121.6395 57.5726 40.9908 179.3516 113 F 4.0885 7.6466 116.6838 59.7466 38.8640 176.3826 114 N 4.9817 8.0664 114.1104 53.1830 39.9592 175.5945 115 D 4.7147 7.6545 119.7638 52.6504 42.3321 172.4786 116 P 4.0712 0.0000 0.0000 61.3674 29.9173 174.7941 117 N 4.3714 8.0229 123.5602 52.8815 38.4278 172.6973 118 P 4.3677 0.0000 0.0000 63.0279 31.4498 177.2019 119 A 4.0084 7.8781 122.4983 55.2620 18.3480 179.2562 120 S 4.5636 7.4309 116.1786 55.5732 63.5457 171.9869 121 P 4.4251 0.0000 0.0000 62.2166 32.1617 176.9781 122 A 3.8840 8.9798 123.6421 52.6153 19.8647 177.2918 123 N 4.7212 7.3854 112.8498 51.0090 41.1406 174.5456 124 V 3.5320 8.1794 128.3165 65.7515 31.7190 177.0047 125 E 3.9495 8.2874 118.4047 59.3696 29.4895 178.5180 126 A 3.6380 8.5511 120.7415 54.9171 18.3575 179.4631 127 A 3.8520 7.7818 119.3525 55.3782 18.3986 179.8171 128 T 3.8003 8.3891 108.5872 65.1860 68.8303 176.3586 129 L 4.0885 8.2546 122.9141 57.1993 41.4966 179.2517 130 F 3.7828 8.1745 119.6040 61.0668 39.2702 176.8388 131 K 3.9406 7.7727 116.3693 58.9992 32.8626 178.3095 132 D 4.4915 8.1544 119.0864 55.6326 43.0089 176.8515 133 H 4.9482 7.8729 114.6439 53.1930 29.0744 174.3349 134 K 3.9354 7.9629 122.8287 59.5730 32.2868 177.7497 135 S 4.1593 8.0358 114.0945 61.6055 63.0261 176.4392 136 Q 3.9420 8.2175 122.0404 58.4361 28.3675 177.6883 137 Y 4.2726 8.2125 120.1743 61.0717 38.8152 178.3434 138 V 3.2691 8.0157 118.7902 65.7838 31.6998 177.8445 139 K 3.8134 7.8276 119.2233 59.5236 31.6230 178.8020 140 R 3.5686 8.1270 119.3816 59.2023 29.7177 178.6719 141 V 3.4269 7.6131 118.3848 65.6886 31.3084 178.2331 142 K 3.8480 7.9218 118.3935 59.2594 31.7442 179.0990 143 E 3.8609 7.9217 118.8837 59.5954 29.3413 179.5478 144 T 3.8917 7.5656 109.2697 64.4663 68.7050 177.0570 145 V 3.0462 7.3260 120.9106 65.5909 31.5365 177.6860 146 E 3.5574 7.7069 118.2770 59.3634 29.3661 179.1756 147 K 3.8709 8.1034 119.8379 59.7454 31.8737 178.7954 148 S 4.1399 7.4917 113.6318 61.0494 63.0951 176.3576 149 W 4.5332 7.5979 122.6699 59.7329 28.7405 178.3681 150 E 4.0862 8.4658 118.5543 59.6106 28.6377 179.1876 151 D 4.4425 7.9968 118.1528 57.4031 41.0204 178.2018 152 D 4.5829 8.1564 119.4341 57.0997 40.6987 177.9390 153 M 4.3803 7.6738 116.6106 56.5640 31.8868 176.1154 154 D 4.5660 7.7455 124.6707 54.3526 41.2957 176.0564 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 2 S 8.32 4.44 0.00 3.87 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 3 T 7.91 4.54 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 1.28 0.00 0.00 4 P 0.00 4.22 0.00 2.21 2.17 0.00 3.64 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 2.14 2.18 0.00 5 A 7.97 4.33 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.86 3.93 0.00 2.05 2.04 0.00 3.16 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.72 0.00 7 R 8.60 4.02 0.00 1.85 2.01 0.00 3.15 0.00 0.00 3.12 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 8 R 8.26 3.91 0.00 1.94 2.28 0.00 3.35 0.00 0.00 3.16 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.83 0.00 9 L 8.38 4.09 0.00 1.97 1.89 0.62 -0.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 10 M 8.22 4.35 0.00 2.14 2.37 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 3.05 0.00 11 R 8.13 4.07 0.00 2.13 2.04 0.00 3.16 0.00 0.00 3.40 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.72 0.00 12 D 8.50 4.54 0.00 3.13 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 13 F 8.79 4.90 0.00 3.31 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 14 K 8.33 3.74 0.00 1.85 1.99 0.00 1.70 0.00 0.00 1.57 0.00 0.00 3.01 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.45 1.43 7.81 15 R 7.99 3.96 0.00 2.06 2.17 0.00 3.24 0.00 0.00 3.21 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.81 0.00 16 M 8.02 4.30 0.00 2.36 2.55 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3.02 3.17 0.00 17 K 8.15 4.14 0.00 1.82 1.73 0.00 0.87 0.00 0.00 1.33 0.00 0.00 2.66 0.00 0.00 2.13 0.00 0.00 0.00 0.00 1.22 0.86 7.81 18 E 8.20 4.28 0.00 1.95 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 2.26 2.25 0.00 19 D 8.06 4.75 0.00 2.64 2.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 20 A 7.69 4.21 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 21 P 0.00 4.49 0.00 2.26 2.04 0.00 3.69 0.00 0.00 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.16 0.00 22 P 0.00 4.31 0.00 2.08 2.03 0.00 3.74 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.12 0.00 23 G 9.25 4.10 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 V 7.26 5.19 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 0.87 0.00 0.00 1.05 0.00 0.00 25 S 8.88 4.92 0.00 3.96 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 26 A 8.55 5.37 1.54 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 27 S 8.78 3.96 0.00 3.61 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 28 P 0.00 4.14 0.00 1.33 0.49 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.69 0.44 0.00 29 L 8.22 4.01 0.00 1.79 1.57 0.91 0.90 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 30 P 0.00 4.24 0.00 2.14 2.18 0.00 3.63 0.00 0.00 3.63 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 31 D 7.68 4.80 0.00 2.74 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 32 N 7.92 4.46 0.00 2.70 2.68 0.00 0.00 6.99 7.62 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 33 V 8.32 3.75 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 0.82 0.00 0.00 0.96 0.00 0.00 34 M 8.83 4.52 0.00 2.32 2.34 0.00 0.00 0.00 0.00 0.00 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.61 2.66 0.00 35 V 7.87 5.04 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 1.03 0.00 0.00 0.98 0.00 0.00 36 W 9.80 5.35 0.00 3.24 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 37 N 9.03 5.52 0.00 2.72 2.73 0.00 0.00 6.75 7.06 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 38 A 8.77 5.28 1.30 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 39 M 9.08 5.31 0.00 2.18 2.22 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 2.57 2.63 0.00 40 I 9.25 5.09 2.29 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 1.19 1.19 0.00 0.00 41 I 8.83 4.37 1.93 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.38 0.96 0.00 0.00 42 G 9.50 4.22 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 0.00 43 P 0.00 4.56 0.00 2.23 2.32 0.00 3.34 0.00 0.00 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 2.20 0.00 44 A 8.06 3.23 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 45 D 9.03 4.90 0.00 2.73 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 46 T 7.26 4.88 4.60 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 1.45 0.00 0.00 47 P 0.00 4.42 0.00 1.84 2.13 0.00 3.92 0.00 0.00 3.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 2.05 0.00 48 Y 8.04 4.34 0.00 3.07 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 E 7.92 4.07 0.00 2.33 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 2.41 2.38 0.00 50 D 9.28 4.68 0.00 3.18 3.16 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 51 G 7.44 2.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 52 T 7.81 4.61 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 1.32 0.00 0.00 53 F 8.38 4.82 0.00 3.48 3.38 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 0.00 54 R 9.41 5.14 0.00 1.95 2.22 0.00 2.78 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 1.71 0.00 55 L 8.99 5.18 0.00 1.42 1.39 0.89 -0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.33 0.00 0.00 0.00 0.00 0.00 0.00 56 L 8.87 5.09 0.00 1.59 1.41 0.92 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 0.00 0.00 0.00 0.00 57 L 8.90 4.94 0.00 1.55 0.80 0.84 0.42 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 58 E 8.71 5.02 0.00 1.76 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 0.00 2.19 2.17 0.00 59 F 9.17 4.87 0.00 2.70 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 60 D 8.15 4.78 0.00 2.78 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 61 E 8.78 4.24 0.00 2.02 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 0.00 2.35 2.31 0.00 62 E 8.44 4.40 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 2.31 2.26 0.00 63 Y 8.11 4.88 0.00 3.15 3.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 P 0.00 4.28 0.00 2.29 1.54 0.00 3.67 0.00 0.00 3.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.96 1.80 0.00 65 N 8.27 4.51 0.00 2.95 3.00 0.00 0.00 6.78 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 66 K 8.10 4.41 0.00 1.75 1.63 0.00 1.71 0.00 0.00 1.93 0.00 0.00 2.85 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.21 7.81 67 P 0.00 3.23 0.00 1.33 0.49 0.00 3.43 0.00 0.00 2.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 68 P 0.00 4.26 0.00 0.94 0.49 0.00 3.07 0.00 0.00 3.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 1.16 0.00 69 H 8.63 4.46 0.00 3.10 3.07 0.00 5.71 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 70 V 7.91 4.73 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 0.62 0.00 0.00 0.67 0.00 0.00 71 K 8.28 4.78 0.00 1.77 1.69 0.00 1.38 0.00 0.00 1.67 0.00 0.00 2.86 0.00 0.00 2.80 0.00 0.00 0.00 0.00 1.22 1.39 7.81 72 F 9.14 4.76 0.00 3.03 3.20 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 73 L 9.07 4.38 0.00 1.68 1.79 0.96 1.11 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 74 S 8.08 4.53 0.00 4.22 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 75 E 8.68 4.18 0.00 1.98 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 2.34 2.38 0.00 76 M 8.40 4.83 0.00 1.62 1.71 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 2.42 0.00 77 F 8.31 4.69 0.00 2.85 2.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.75 4.91 0.00 3.06 2.78 0.00 5.99 0.00 0.00 0.00 0.00 6.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 P 0.00 4.12 0.00 1.88 1.84 0.00 3.00 0.00 0.00 3.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.80 0.00 80 N 8.03 4.60 0.00 2.68 2.81 0.00 0.00 6.57 7.68 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 81 V 7.33 4.48 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 0.80 0.00 0.00 0.61 0.00 0.00 82 Y 8.57 4.31 0.00 3.28 2.83 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 83 A 8.69 4.18 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 N 8.32 4.70 0.00 2.85 2.94 0.00 0.00 6.32 7.00 0.00 0.00 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 G 8.33 4.15 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 0.00 86 E 8.86 4.51 0.00 2.19 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 0.00 2.32 2.38 0.00 87 I 8.09 4.84 1.84 0.00 0.00 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.77 0.86 0.00 0.00 88 C 8.62 4.53 0.00 2.69 2.74 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 89 L 8.82 4.33 0.00 1.70 1.41 0.87 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 90 D 9.23 4.41 0.00 2.86 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 91 I 7.86 3.56 1.77 0.00 0.00 0.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.62 0.40 0.00 0.00 92 L 7.98 4.36 0.00 1.77 1.64 0.90 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 93 Q 8.03 4.45 0.00 2.13 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.07 6.80 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 94 N 9.38 4.48 0.00 2.85 2.97 0.00 0.00 5.89 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 95 R 7.86 4.50 0.00 1.85 2.01 0.00 3.40 0.00 0.00 3.17 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.62 0.00 96 W 7.92 4.39 0.00 3.51 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 97 T 7.18 4.61 4.12 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 1.29 0.00 0.00 98 P 0.00 5.13 0.00 2.01 2.16 0.00 3.63 0.00 0.00 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.12 0.00 99 T 6.92 3.93 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 100 Y 6.84 3.97 0.00 1.60 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 0.00 101 D 9.54 5.41 0.00 3.23 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 0.00 102 V 8.57 3.54 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 1.03 0.00 0.00 0.15 0.00 0.00 103 A 8.19 4.08 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 0.00 104 S 8.32 4.71 0.00 4.32 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 0.00 105 I 8.43 3.75 2.16 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.45 0.89 0.00 0.00 106 L 8.32 4.04 0.00 1.91 1.79 1.02 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 107 T 8.34 3.97 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 1.29 0.00 0.00 108 S 7.95 4.14 0.00 4.06 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 0.00 109 I 7.66 3.79 1.98 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 1.28 0.85 0.00 0.00 110 Q 8.23 4.33 0.00 2.36 2.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.79 0.00 0.00 0.00 0.00 0.00 2.50 2.60 0.00 111 S 8.43 4.27 0.00 4.07 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 0.00 112 L 7.61 3.92 0.00 1.42 1.28 0.70 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 113 F 7.65 4.09 0.00 3.18 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 0.00 114 N 8.07 4.98 0.00 2.93 2.94 0.00 0.00 6.69 7.68 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 0.00 115 D 7.65 4.71 0.00 2.60 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 0.00 116 P 0.00 4.07 0.00 1.34 1.83 0.00 3.82 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 1.92 0.00 117 N 8.02 4.37 0.00 2.77 2.69 0.00 0.00 7.31 7.69 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 0.00 118 P 0.00 4.37 0.00 2.21 2.07 0.00 3.79 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 2.12 0.00 119 A 7.88 4.01 1.30 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 0.00 120 S 7.43 4.56 0.00 3.77 3.75 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 0.00 0.00 0.00 121 P 0.00 4.43 0.00 2.06 1.93 0.00 3.70 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.90 0.00 122 A 8.98 3.88 0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 N 7.39 4.72 0.00 2.73 2.55 0.00 0.00 6.87 7.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 V 8.18 3.53 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 0.85 0.00 0.00 0.92 0.00 0.00 125 E 8.29 3.95 0.00 2.16 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.67 2.52 0.00 126 A 8.55 3.64 0.61 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 0.00 0.00 0.00 0.00 0.00 0.00 127 A 7.78 3.85 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 T 8.39 3.80 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 1.30 0.00 0.00 129 L 8.25 4.09 0.00 2.25 2.13 1.05 1.17 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 0.00 130 F 8.17 3.78 0.00 2.48 3.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 131 K 7.77 3.94 0.00 1.89 1.90 0.00 1.64 0.00 0.00 1.72 0.00 0.00 3.04 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.75 1.45 7.81 132 D 8.15 4.49 0.00 2.61 2.55 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 0.00 0.00 0.00 0.00 133 H 7.87 4.95 0.00 3.26 3.31 0.00 5.84 0.00 0.00 0.00 0.00 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 134 K 7.96 3.94 0.00 1.70 1.76 0.00 1.02 0.00 0.00 1.53 0.00 0.00 2.94 0.00 0.00 2.66 0.00 0.00 0.00 0.00 1.49 1.49 7.81 135 S 8.04 4.16 0.00 4.10 4.12 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 0.00 136 Q 8.22 3.94 0.00 2.36 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.19 6.78 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 137 Y 8.21 4.27 0.00 3.28 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 0.00 138 V 8.02 3.27 2.25 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 0.89 0.00 0.00 1.12 0.00 0.00 139 K 7.83 3.81 0.00 1.92 1.88 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.80 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.33 1.38 7.81 140 R 8.13 3.57 0.00 1.43 1.17 0.00 2.77 0.00 0.00 2.86 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.71 0.00 141 V 7.61 3.43 1.65 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 -0.02 0.00 0.00 0.24 0.00 0.00 142 K 7.92 3.85 0.00 1.85 1.72 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.87 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.59 1.54 7.81 143 E 7.92 3.86 0.00 2.08 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 2.23 2.41 0.00 144 T 7.57 3.89 4.59 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 1.34 0.00 0.00 145 V 7.33 3.05 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 -0.01 0.00 0.00 1.02 0.00 0.00 146 E 7.71 3.56 0.00 2.10 1.96 0.00 0.00 0.00 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 2.29 0.00 147 K 8.10 3.87 0.00 1.96 1.81 0.00 1.67 0.00 0.00 1.71 0.00 0.00 3.03 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.61 7.81 148 S 7.49 4.14 0.00 4.01 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 0.00 149 W 7.60 4.53 0.00 3.60 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 0.00 150 E 8.47 4.09 0.00 2.22 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 2.40 2.65 0.00 151 D 8.00 4.44 0.00 2.92 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 0.00 152 D 8.16 4.58 0.00 3.03 2.74 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 0.00 153 M 7.67 4.38 0.00 1.96 2.31 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 2.66 2.96 0.00 154 D 7.75 4.57 0.00 2.63 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