NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3851 8.3049 120.3422 54.4772 34.1746 175.6169 2 L 3.8789 7.8029 117.9942 55.2170 42.2974 175.3185 3 Q 3.9734 9.6871 123.8416 58.7073 29.9124 175.9908 4 P 4.4159 0.0000 0.0000 62.8197 32.1706 176.4176 5 K 3.8916 8.9858 116.0441 58.2353 32.4447 177.4575 6 R 4.2171 7.7613 114.0912 56.2858 28.8027 176.8243 7 T 4.0276 8.4993 109.6398 62.7519 68.8734 173.6883 8 K 4.3528 8.2250 125.5420 56.7417 30.3550 173.8356 9 F 3.9695 8.5246 130.6809 57.0076 39.9154 175.6282 10 R 3.9347 7.4886 122.0178 57.0668 30.0694 178.0621 11 K 3.5569 7.0479 117.6117 58.0514 32.8810 175.7390 12 M 4.5182 7.5430 118.0212 54.9492 33.7816 174.4286 13 H 4.9499 8.1340 121.3604 54.5102 33.2955 173.0858 14 K 4.3077 8.4123 122.6882 56.6227 32.3058 176.7260 15 G 3.8363 7.4042 102.5655 46.7122 0.0000 173.7664 16 R 4.6105 8.3314 124.1555 53.8677 34.1617 175.2479 17 N 4.4886 8.6121 119.1094 53.3655 39.1186 176.6639 18 R 4.1538 8.1320 118.1503 56.4844 28.1778 177.6188 19 G 3.9626 7.7999 116.3124 44.3877 0.0000 171.2291 20 L 4.5334 7.4653 117.7918 54.1497 43.0721 177.7341 21 A 4.1786 9.0142 123.4030 52.3023 18.8750 176.4292 22 Q 4.6778 9.5394 120.1200 53.5761 32.2424 173.8518 23 G 4.3591 7.4931 107.7614 44.5111 0.0000 173.3908 24 T 4.5536 7.5412 115.4350 60.3103 67.3512 172.6329 25 D 4.7338 7.9018 124.1413 53.4364 42.6096 175.8782 26 V 4.2708 7.6318 118.3315 59.9530 32.1478 174.6218 27 S 3.9854 8.0276 117.8884 58.6722 61.6328 170.8743 28 F 4.2146 7.1366 121.8718 56.7634 41.6751 177.2865 29 G 3.4204 7.6543 108.4921 47.9611 0.0000 176.2287 30 S 3.1240 7.8216 109.3745 60.1426 67.0043 173.5081 31 F 4.1269 8.1529 128.4166 60.3410 39.4717 175.3105 32 G 4.0062 8.2869 110.7873 43.8265 0.0000 173.9588 33 L 3.7552 7.6424 117.2641 54.6174 40.9043 174.9338 34 K 4.8334 8.1859 114.1018 55.9630 33.3208 174.6242 35 A 4.5957 7.8721 120.6191 51.5960 21.7682 175.5729 36 V 4.2691 8.1613 114.7747 62.9457 33.2784 176.0380 37 G 3.7527 8.0308 107.5984 45.4789 0.0000 173.4046 38 R 4.2076 8.2439 130.5895 56.4311 27.6860 175.8325 39 G 4.0343 7.6275 110.9876 44.6955 0.0000 173.1813 40 R 4.4465 8.4167 114.4473 56.3395 29.4604 177.1069 41 L 4.3850 8.0539 119.5709 54.9590 41.7752 176.9728 42 T 4.3783 9.0899 118.9606 61.3770 68.4362 174.9009 43 A 3.9758 8.7468 128.7214 55.7268 16.8089 180.5318 44 R 4.0302 8.1706 114.9351 58.5795 29.5877 178.1723 45 Q 4.5716 8.3824 117.5731 56.8931 29.2255 178.0264 46 I 3.8218 7.5757 120.4323 63.9997 37.8173 177.1172 47 E 4.3830 8.1507 115.9184 56.1388 29.7885 177.4866 48 A 3.9326 7.3795 122.0969 55.9566 18.2219 179.6638 49 A 4.4753 8.0272 117.9508 53.6708 18.2349 178.3021 50 R 4.6057 7.6464 113.9745 55.9555 30.7056 176.7335 51 R 4.5198 8.0614 117.5685 56.3044 32.5450 175.1009 52 A 4.2965 7.5668 124.1441 52.8955 22.5490 175.9977 53 M 4.2427 7.8807 114.4240 56.2712 33.2233 175.9406 54 T 3.5184 8.6846 114.4999 63.0040 65.8965 173.7404 55 R 3.7703 7.9943 121.6721 59.3876 29.9910 177.0871 56 A 4.1179 8.0508 119.0330 53.8245 18.1721 176.7209 57 V 4.5511 7.3131 108.4881 59.2447 35.4568 175.8273 58 K 4.2106 8.5780 116.8886 57.0015 31.4986 177.8483 59 R 3.7676 7.2815 111.8290 56.7302 28.9430 175.9292 60 Q 4.3807 7.4467 117.4799 55.5135 29.8868 174.7527 61 G 3.9676 7.9065 110.3482 44.5645 0.0000 171.7174 62 K 3.9672 8.1288 118.1265 56.8883 32.1799 176.0103 63 I 5.0409 7.9315 126.1629 57.1959 37.7695 172.9889 64 W 4.4176 8.8669 124.5563 56.9487 28.9698 174.6628 65 I 4.5081 8.0726 123.5209 58.5753 37.7714 174.1407 66 R 4.0098 8.6028 120.5764 55.7916 29.5572 177.4495 67 V 4.3661 8.4502 123.8177 59.7669 31.9902 175.2023 68 F 4.9357 8.1327 121.2490 54.7769 37.5566 173.0787 69 P 4.5623 0.0000 0.0000 63.5865 31.5605 177.9901 70 D 4.5868 7.5458 119.4630 56.2739 41.5859 177.2253 71 K 4.7702 7.6672 117.8040 55.3833 32.4160 174.6567 72 P 4.8144 0.0000 0.0000 63.3627 32.4055 177.1345 73 I 3.9239 8.6720 113.2020 60.5485 38.5828 175.8483 74 T 3.2158 7.7868 114.1009 62.7933 67.8237 170.8964 75 E 4.9535 7.9817 125.4847 55.0086 31.7969 174.9236 76 K 5.2059 8.5021 113.8767 55.9408 35.3512 173.1657 77 P 4.9319 0.0000 0.0000 60.4952 33.7938 172.9387 78 L 3.6718 8.3819 120.6450 57.1701 41.1930 177.2423 79 A 3.8417 8.6940 127.2378 52.5289 16.4627 177.9923 80 V 4.3558 7.3581 109.0210 61.3827 32.1836 178.2507 81 R 3.9251 8.3290 122.0915 59.4441 30.1506 177.1614 82 M 4.0017 8.2997 115.1980 56.9046 31.3257 178.9072 83 G 3.7898 8.0562 113.1826 47.8841 0.0000 176.2323 84 K 3.8666 8.1456 118.8858 59.1973 32.2403 177.9059 85 G 4.0969 8.3023 104.3049 45.3394 0.0000 173.0108 86 K 4.0865 8.3107 123.0774 58.2597 33.3244 177.0037 87 G 3.9612 7.8651 111.6855 45.5022 0.0000 174.3212 88 N 4.7693 5.7700 121.1374 51.3330 40.4612 174.6568 89 V 4.0085 8.0316 118.5063 61.4415 32.9620 176.0023 90 E 4.0616 8.7047 125.7795 57.0762 30.7804 176.2894 91 Y 3.7720 7.4214 116.1803 58.8413 35.0444 169.5625 92 W 4.7822 9.3329 130.0461 57.3109 31.8775 176.5965 93 V 3.3470 7.4114 119.8562 60.3165 33.1277 175.2415 94 A 3.6332 6.7313 124.3668 52.6575 18.1761 177.7751 95 L 4.4906 7.2932 119.5939 54.0628 40.5800 176.2845 96 I 3.9462 7.7348 123.1479 63.5520 37.7020 177.4487 97 Q 4.5417 7.7333 112.7722 54.3808 31.7334 173.6386 98 P 4.2977 0.0000 0.0000 64.1724 31.8502 176.6303 99 G 4.4713 9.4197 109.5514 45.5302 0.0000 174.7504 100 K 4.0699 8.3084 119.8598 58.9559 32.5220 177.7899 101 V 4.5764 7.4272 113.4573 60.4047 31.6534 177.2699 102 L 4.6369 7.6458 125.5937 56.1385 39.9705 176.2599 103 Y 4.5238 7.6713 121.3443 57.6874 38.5675 176.0360 104 E 3.8806 9.0338 127.6693 58.0840 30.3200 176.7961 105 M 4.1141 6.1754 118.1204 55.0024 33.5637 176.3519 106 D 4.6580 8.1242 117.6087 52.9045 37.7852 174.2538 107 G 4.5456 7.5956 111.0098 44.7462 0.0000 169.3850 108 V 4.5117 8.3326 116.9914 60.2998 34.0638 174.5153 109 P 3.6474 0.0000 0.0000 65.1618 31.3301 177.1014 110 E 4.0371 8.1752 118.7606 58.8571 29.7034 177.9038 111 E 4.1502 7.9294 116.0033 57.3315 29.9711 176.8963 112 L 4.7085 7.6029 115.7619 54.0170 44.1083 178.4868 113 A 3.9940 8.2262 120.8993 55.1716 18.4571 178.9632 114 R 4.1413 8.1533 113.5142 59.0371 30.6781 178.1721 115 E 4.0435 7.5856 117.0900 58.9863 30.0838 177.9774 116 A 4.7258 7.7477 119.0091 50.6526 18.9767 176.7092 117 F 4.7611 8.3378 115.5416 57.3370 38.5022 177.1382 118 K 4.1948 7.2743 121.4508 57.3168 33.3258 176.4739 119 L 3.9271 7.5550 119.7801 58.0171 42.5210 177.8026 120 A 4.4727 8.2648 122.9885 49.5461 16.7029 176.5712 121 A 4.4042 8.2305 124.1172 50.3258 19.3516 177.6436 122 A 4.1460 8.4501 121.8362 52.7912 18.7482 177.6636 123 K 4.5072 8.2802 118.9976 55.5237 34.0213 177.6097 124 L 4.5815 7.8479 119.4701 51.5510 41.1018 172.9173 125 P 4.1504 0.0000 0.0000 62.5480 31.8051 176.3612 126 I 3.7498 8.4133 124.6081 63.8626 38.1164 177.7162 127 K 4.0901 8.0736 116.3308 57.5759 31.8816 176.9711 128 T 4.0300 7.3089 110.2138 61.9168 69.1977 173.7108 129 T 4.5537 7.7159 112.0152 59.9006 71.8402 173.8811 130 F 4.2586 7.9987 117.3852 59.0588 38.7171 175.7106 131 V 3.6083 6.5415 121.5039 62.5575 30.4014 176.3182 132 T 3.9193 8.5917 119.2457 64.4361 68.5185 176.2985 133 K 3.6004 8.1289 121.4162 59.4778 31.5941 178.4241 134 T 3.6757 7.5347 112.9280 65.3763 67.2754 176.0706 135 V 3.8222 7.1658 112.4669 63.4355 31.5949 176.1012 136 M 4.3271 7.4494 120.4420 55.3729 31.2893 174.6926 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 M 8.30 4.39 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 -0.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.45 2.55 0.00 2 L 7.80 3.88 0.00 1.72 1.56 0.90 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 3 Q 9.69 3.97 0.00 2.01 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.36 0.00 4 P 0.00 4.42 0.00 2.18 1.99 0.00 3.70 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.07 0.00 5 K 8.99 3.89 0.00 2.06 2.10 0.00 1.52 0.00 0.00 1.88 0.00 0.00 2.93 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 1.41 7.81 6 R 7.76 4.22 0.00 1.88 2.03 0.00 2.80 0.00 0.00 2.94 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 7 T 8.50 4.03 4.36 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 0.00 0.00 0.00 1.36 0.00 0.00 8 K 8.22 4.35 0.00 1.92 1.91 0.00 2.02 0.00 0.00 1.70 0.00 0.00 3.09 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.56 1.47 7.81 9 F 8.52 3.97 0.00 3.13 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 10 R 7.49 3.93 0.00 1.40 1.75 0.00 3.32 0.00 0.00 3.87 7.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.52 0.00 11 K 7.05 3.56 0.00 1.82 1.74 0.00 1.69 0.00 0.00 1.93 0.00 0.00 3.05 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.40 1.49 7.81 12 M 7.54 4.52 0.00 2.00 2.01 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.48 0.00 13 H 8.13 4.95 0.00 3.02 3.07 0.00 5.80 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 8.41 4.31 0.00 1.88 1.90 0.00 1.53 0.00 0.00 1.76 0.00 0.00 2.86 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.30 1.27 7.81 15 G 7.40 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 16 R 8.33 4.61 0.00 1.74 1.78 0.00 3.41 0.00 0.00 3.23 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.76 0.00 17 N 8.61 4.49 0.00 2.68 2.79 0.00 0.00 7.03 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 18 R 8.13 4.15 0.00 1.74 1.86 0.00 3.15 0.00 0.00 3.13 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.55 0.00 19 G 7.80 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 20 L 7.47 4.53 0.00 1.76 1.86 0.91 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 21 A 9.01 4.18 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 Q 9.54 4.68 0.00 2.03 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.15 0.00 0.00 0.00 0.00 0.00 2.26 2.29 0.00 23 G 7.49 4.36 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 T 7.54 4.55 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 1.22 0.00 0.00 25 D 7.90 4.73 0.00 2.74 2.60 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 26 V 7.63 4.27 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 0.75 0.00 0.00 0.87 0.00 0.00 27 S 8.03 3.99 0.00 4.04 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 28 F 7.14 4.21 0.00 1.51 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 G 7.65 3.42 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 0.00 0.00 0.00 0.00 30 S 7.82 3.12 0.00 4.09 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 31 F 8.15 4.13 0.00 3.04 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 32 G 8.29 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 0.00 0.00 0.00 33 L 7.64 3.76 0.00 1.92 1.88 0.97 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 34 K 8.19 4.83 0.00 2.05 1.96 0.00 1.29 0.00 0.00 1.06 0.00 0.00 3.02 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.41 1.39 7.81 35 A 7.87 4.60 1.24 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 36 V 8.16 4.27 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 0.87 0.00 0.00 0.93 0.00 0.00 37 G 8.03 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 0.00 0.00 0.00 38 R 8.24 4.21 0.00 1.83 1.95 0.00 3.30 0.00 0.00 3.30 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.71 0.00 39 G 7.63 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 40 R 8.42 4.45 0.00 1.88 2.03 0.00 3.24 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.70 0.00 41 L 8.05 4.39 0.00 1.69 1.63 0.95 0.65 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 42 T 9.09 4.38 4.36 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 0.00 0.00 0.00 1.30 0.00 0.00 43 A 8.75 3.98 1.36 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 0.00 0.00 0.00 0.00 0.00 0.00 44 R 8.17 4.03 0.00 1.94 2.02 0.00 3.20 0.00 0.00 3.37 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.81 0.00 45 Q 8.38 4.57 0.00 2.17 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.83 0.00 0.00 0.00 0.00 0.00 2.43 2.52 0.00 46 I 7.58 3.82 2.01 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 1.64 0.33 0.95 0.00 0.00 47 E 8.15 4.38 0.00 2.22 2.19 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 2.47 2.32 0.00 48 A 7.38 3.93 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 49 A 8.03 4.48 1.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 50 R 7.65 4.61 0.00 1.82 1.91 0.00 3.10 0.00 0.00 3.24 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 51 R 8.06 4.52 0.00 1.84 1.92 0.00 3.37 0.00 0.00 3.29 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.78 0.00 52 A 7.57 4.30 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 53 M 7.88 4.24 0.00 2.12 2.03 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 2.61 2.58 0.00 54 T 8.68 3.52 4.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 55 R 7.99 3.77 0.00 1.76 2.16 0.00 3.24 0.00 0.00 3.23 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.68 0.00 56 A 8.05 4.12 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 57 V 7.31 4.55 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 0.84 0.00 0.00 0.93 0.00 0.00 58 K 8.58 4.21 0.00 1.83 1.81 0.00 1.79 0.00 0.00 1.87 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.53 1.43 7.81 59 R 7.28 3.77 0.00 2.01 2.07 0.00 3.00 0.00 0.00 3.22 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.58 0.00 60 Q 7.45 4.38 0.00 2.06 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.46 0.00 61 G 7.91 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 0.00 0.00 0.00 62 K 8.13 3.97 0.00 1.59 1.69 0.00 1.52 0.00 0.00 1.84 0.00 0.00 2.76 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.40 1.38 7.81 63 I 7.93 5.04 1.93 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 2.01 1.02 0.00 0.00 64 W 8.87 4.42 0.00 3.00 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 65 I 8.07 4.51 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 1.78 0.87 0.98 0.00 0.00 66 R 8.60 4.01 0.00 2.01 2.02 0.00 2.90 0.00 0.00 3.23 7.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.75 0.00 67 V 8.45 4.37 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 0.86 0.00 0.00 0.98 0.00 0.00 68 F 8.13 4.94 0.00 3.38 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.56 0.00 2.40 2.29 0.00 3.56 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 2.04 2.05 0.00 70 D 7.55 4.59 0.00 2.75 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 71 K 7.67 4.77 0.00 2.16 1.88 0.00 1.54 0.00 0.00 1.57 0.00 0.00 2.45 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.29 1.49 7.81 72 P 0.00 4.81 0.00 1.98 2.01 0.00 3.71 0.00 0.00 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 2.31 0.00 73 I 8.67 3.92 1.61 0.00 0.00 0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.42 0.31 0.00 0.00 74 T 7.79 3.22 4.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 75 E 7.98 4.95 0.00 1.82 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.15 0.00 76 K 8.50 5.21 0.00 1.83 1.68 0.00 1.16 0.00 0.00 2.39 0.00 0.00 2.97 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.28 1.36 7.81 77 P 0.00 4.93 0.00 2.15 2.08 0.00 3.87 0.00 0.00 3.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.88 0.00 78 L 8.38 3.67 0.00 1.59 1.69 0.91 0.98 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 79 A 8.69 3.84 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 80 V 7.36 4.36 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 0.83 0.00 0.00 1.01 0.00 0.00 81 R 8.33 3.93 0.00 1.78 2.02 0.00 3.20 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 1.64 0.00 82 M 8.30 4.00 0.00 2.25 2.23 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.58 2.63 0.00 83 G 8.06 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 0.00 0.00 0.00 84 K 8.15 3.87 0.00 1.89 2.02 0.00 1.55 0.00 0.00 1.71 0.00 0.00 3.07 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.56 1.47 7.81 85 G 8.30 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 86 K 8.31 4.09 0.00 1.76 1.91 0.00 1.74 0.00 0.00 1.78 0.00 0.00 2.88 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.60 1.65 7.81 87 G 7.87 3.96 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 0.00 0.00 0.00 0.00 0.00 0.00 88 N 5.77 4.77 0.00 2.73 2.75 0.00 0.00 6.76 8.13 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 89 V 8.03 4.01 1.64 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 -0.33 0.00 0.00 0.73 0.00 0.00 90 E 8.70 4.06 0.00 2.15 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 2.39 2.31 0.00 91 Y 7.42 3.77 0.00 3.26 2.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 W 9.33 4.78 0.00 3.14 3.22 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 93 V 7.41 3.35 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 0.55 0.00 0.00 0.33 0.00 0.00 94 A 6.73 3.63 1.14 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 95 L 7.29 4.49 0.00 1.80 1.61 0.97 1.09 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 96 I 7.73 3.95 1.85 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.79 0.97 0.00 0.00 97 Q 7.73 4.54 0.00 2.01 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.63 6.92 0.00 0.00 0.00 0.00 0.00 2.28 2.52 0.00 98 P 0.00 4.30 0.00 2.22 2.06 0.00 3.63 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 2.14 2.18 0.00 99 G 9.42 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.31 4.07 0.00 1.83 1.99 0.00 1.75 0.00 0.00 1.82 0.00 0.00 2.97 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.51 1.53 7.81 101 V 7.43 4.58 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.85 0.00 0.00 0.97 0.00 0.00 102 L 7.65 4.64 0.00 2.14 1.95 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 103 Y 7.67 4.52 0.00 2.80 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 0.00 104 E 9.03 3.88 0.00 2.11 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 2.46 2.31 0.00 105 M 6.18 4.11 0.00 1.68 0.57 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 2.22 0.00 106 D 8.12 4.66 0.00 2.77 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 0.00 107 G 7.60 4.55 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 0.00 0.00 0.00 108 V 8.33 4.51 2.14 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 1.17 0.00 0.00 0.93 0.00 0.00 109 P 0.00 3.65 0.00 1.79 1.69 0.00 3.56 0.00 0.00 3.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.44 0.00 110 E 8.18 4.04 0.00 1.99 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 2.38 2.33 0.00 111 E 7.93 4.15 0.00 2.10 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 2.53 2.49 0.00 112 L 7.60 4.71 0.00 1.72 1.58 0.46 0.62 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 0.00 113 A 8.23 3.99 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 0.00 114 R 8.15 4.14 0.00 1.81 1.98 0.00 3.35 0.00 0.00 3.21 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 115 E 7.59 4.04 0.00 2.28 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 2.38 2.47 0.00 116 A 7.75 4.73 1.21 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 0.00 0.00 0.00 0.00 0.00 117 F 8.34 4.76 0.00 3.29 3.27 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 0.00 118 K 7.27 4.19 0.00 1.43 1.57 0.00 1.66 0.00 0.00 1.61 0.00 0.00 3.00 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.23 1.38 7.81 119 L 7.56 3.93 0.00 1.59 1.76 0.92 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 120 A 8.26 4.47 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 A 8.23 4.40 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 0.00 122 A 8.45 4.15 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 K 8.28 4.51 0.00 1.75 1.77 0.00 1.62 0.00 0.00 1.73 0.00 0.00 3.12 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.40 1.52 7.81 124 L 7.85 4.58 0.00 1.53 1.53 0.71 1.05 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 0.00 125 P 0.00 4.15 0.00 2.01 2.05 0.00 3.68 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.10 0.00 126 I 8.41 3.75 1.84 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 1.32 0.89 0.00 0.00 127 K 8.07 4.09 0.00 1.75 1.81 0.00 1.78 0.00 0.00 1.73 0.00 0.00 3.00 0.00 0.00 2.81 0.00 0.00 0.00 0.00 1.41 1.40 7.81 128 T 7.31 4.03 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 1.19 0.00 0.00 129 T 7.72 4.55 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 1.03 0.00 0.00 130 F 8.00 4.26 0.00 3.19 3.21 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 0.00 0.00 0.00 131 V 6.54 3.61 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 0.86 0.00 0.00 0.15 0.00 0.00 132 T 8.59 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 1.21 0.00 0.00 133 K 8.13 3.60 0.00 1.72 1.88 0.00 1.67 0.00 0.00 1.71 0.00 0.00 2.88 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.49 1.42 7.81 134 T 7.53 3.68 4.21 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 0.00 0.00 1.19 0.00 0.00 135 V 7.17 3.82 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 0.75 0.00 0.00 0.93 0.00 0.00 136 M 7.45 4.33 0.00 2.09 1.93 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 2.46 2.58 0.00