NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4506 8.3049 120.3287 54.7997 33.4810 174.4073 2 E 3.9044 8.3432 119.3428 55.2515 30.0495 175.5605 3 A 3.9929 9.3923 126.5795 52.9196 19.6695 177.6632 4 L 4.0060 8.4891 122.1324 55.8994 42.0022 177.8699 5 G 3.7764 9.1870 105.2102 45.7071 0.0000 172.6725 6 A 4.4997 7.4407 116.2500 51.0084 22.0119 176.3891 7 D 4.7465 8.4872 121.4697 53.3416 42.4691 175.9381 8 V 4.6913 8.4351 122.6460 61.4547 34.4849 175.4905 9 T 4.3919 8.3578 122.8842 61.1617 68.6327 173.3940 10 Q 3.8298 8.5188 124.0177 56.7872 29.0116 177.7531 11 G 4.1574 8.7111 108.2950 45.8591 0.0000 172.5328 12 L 5.1122 8.2388 119.9358 52.8076 46.2243 175.1719 13 E 5.1496 9.0010 119.2669 53.9837 34.5365 175.2624 14 K 3.9946 8.3103 122.7947 58.2594 32.4282 177.1911 15 G 4.0114 9.1427 115.3017 45.0050 0.0000 173.8699 16 S 4.3276 8.1453 116.7150 58.5033 64.2161 173.2553 17 L 5.0871 8.4365 123.7605 53.3718 42.8616 175.7121 18 I 4.6706 8.7859 117.3546 58.9975 41.6578 174.6306 19 T 4.5235 8.5702 119.0240 63.3822 69.9192 174.3048 20 C 4.7603 8.4857 126.4266 57.3410 31.5765 174.0815 21 A 4.5295 8.3022 134.1385 49.9077 15.9336 174.5756 22 D 5.5309 7.6237 119.5967 53.7108 41.6884 175.7429 23 N 4.9716 8.3052 114.3654 52.9055 37.5894 176.9074 24 T 3.8654 8.3780 111.7522 63.9552 69.1140 175.1050 25 G 3.9513 7.7465 110.1002 44.9821 0.0000 172.5916 26 A 4.7912 7.3671 122.0084 50.7617 20.6259 176.7090 27 R 4.3658 8.8924 122.4470 57.6348 32.1254 176.1782 28 E 5.1163 8.0563 119.2775 54.2287 32.5267 174.4203 29 L 5.1956 9.1487 126.3892 52.7673 45.5378 175.1942 30 K 4.9700 8.6377 123.2937 54.3148 34.8026 175.4910 31 V 3.9305 8.7612 128.7062 63.5031 32.0017 176.0931 32 I 4.3501 8.5327 127.4497 62.7345 39.7399 175.8271 33 S 4.6654 7.7880 114.9462 57.3373 68.0062 173.6621 34 V 4.5892 8.2601 121.2877 61.1396 33.4366 174.2844 35 H 4.0534 8.9644 128.0364 58.0817 30.0306 174.5927 36 G 3.9679 8.5520 112.4585 46.2886 0.0000 171.9578 37 Y 4.7067 7.8874 119.9386 55.2386 40.5155 175.2432 38 S 4.4439 7.5178 120.3061 56.4451 66.8050 172.8413 39 G 4.0916 7.7487 114.6008 44.8985 0.0000 175.0599 40 T 4.4265 8.4296 117.2988 59.9970 69.8467 171.9254 41 K 3.9506 8.4539 126.2059 58.1449 32.3665 176.6647 42 N 4.5870 9.0081 122.1617 53.6161 37.3623 174.5092 43 R 4.0722 8.0279 119.2876 55.8892 30.6165 175.4840 44 H 4.4814 8.7452 123.3109 54.6237 29.3390 173.1588 45 P 4.5447 0.0000 0.0000 63.6712 31.6535 175.1008 46 K 4.9693 7.9609 123.1846 55.0778 34.7836 175.4963 47 A 4.7348 8.9146 123.7207 50.7594 23.2142 175.9527 48 G 4.2680 9.2959 107.5983 44.4666 0.0000 171.4989 49 L 4.1220 8.5912 121.8917 56.9937 42.1437 178.5312 50 G 4.1026 9.0540 114.2877 45.3611 0.0000 172.9234 51 D 4.8345 7.8537 119.7826 53.3519 43.0515 175.4507 52 K 4.7296 8.6722 123.4149 55.1828 33.6655 175.1244 53 I 4.9542 8.4947 121.2218 59.4328 41.0056 174.7542 54 T 4.6945 8.7803 120.5511 62.9565 70.4181 174.1158 55 V 5.0870 9.2791 124.4217 61.5253 36.1024 173.5730 56 S 5.1948 8.6855 117.0986 56.3364 66.6792 173.5582 57 V 4.2071 8.2969 122.7102 62.8831 31.5254 176.7146 58 T 3.9888 8.8427 125.8913 66.1946 68.7748 175.4394 59 K 4.5764 8.8836 119.3929 54.6828 36.3949 177.0008 60 G 4.1137 8.6302 108.4160 44.3084 0.0000 172.9351 61 T 3.9686 8.1659 111.0319 61.0303 68.9961 173.1881 62 P 4.1852 0.0000 0.0000 66.3491 31.1168 178.7249 63 E 3.7369 8.1101 115.2397 59.1144 29.5775 178.3969 64 M 4.2321 8.2114 118.6871 56.1661 32.5401 176.9436 65 R 4.0911 6.7639 117.0117 57.6428 30.6665 177.2096 66 R 3.9314 8.4824 118.4610 56.6759 29.0165 176.5086 67 Q 4.2341 7.6247 118.4155 55.4840 30.2731 175.4749 68 V 4.2065 8.3714 123.7314 61.9130 32.0878 174.3193 69 L 4.8422 8.6079 128.1979 52.8647 45.5891 174.9245 70 E 5.0906 8.3771 119.2362 55.3145 32.5427 174.1753 71 A 4.8843 8.4938 124.6074 51.2643 23.7936 175.0183 72 V 4.5300 8.0671 118.3342 60.9049 34.7248 174.8003 73 V 4.0373 8.4751 128.3464 63.1673 31.7358 176.2112 74 V 3.9925 8.9381 129.0505 64.0993 33.2402 175.5794 75 R 4.2237 7.4533 117.5233 54.6989 34.8496 173.9864 76 Q 4.8890 8.0034 117.9837 55.1927 31.5822 175.8332 77 R 4.3144 9.0833 120.1399 58.5091 30.4786 177.8344 78 K 4.1751 7.8671 118.2224 55.7448 32.7166 175.2596 79 P 4.9965 0.0000 0.0000 62.7928 32.4533 175.5294 80 I 4.7885 8.7260 114.0520 59.3616 41.4167 173.9805 81 R 4.8464 8.7773 125.4486 55.5769 31.5484 175.4063 82 R 4.8420 8.7525 125.1352 54.0975 32.3266 175.8533 83 P 3.9434 0.0000 0.0000 65.9890 31.4932 176.9077 84 D 4.6146 8.0533 114.6705 53.2193 39.3899 176.9170 85 G 4.0665 8.8747 110.9669 46.0896 0.0000 174.7817 86 T 4.0951 7.5119 115.5400 63.8862 69.5424 173.8599 87 R 5.0695 8.4129 122.7214 54.8589 32.7785 175.8869 88 V 4.5453 8.7943 121.2423 61.1332 34.9176 174.3778 89 K 5.0716 8.4020 125.1052 55.5410 35.8086 174.8916 90 F 4.7888 8.8292 119.3737 55.6007 42.0312 176.1784 91 E 4.1565 9.0719 119.6863 58.7246 29.6935 174.8648 92 D 4.7326 7.7350 115.6265 52.8233 42.6433 173.5685 93 N 5.2353 8.7113 114.8780 51.7549 40.9817 174.2265 94 A 5.2366 8.7967 123.9438 50.6136 23.4065 174.6638 95 A 5.0113 9.2173 120.8765 50.2237 23.6521 175.2552 96 V 4.5749 8.3132 119.5965 60.6658 34.2037 175.2296 97 I 4.2865 8.3632 129.5064 61.8359 38.0273 175.5640 98 V 4.9034 8.6137 125.4239 60.2661 35.0691 174.4121 99 D 5.1070 7.8996 120.6371 51.6875 41.7729 176.1916 100 E 3.9032 8.9059 117.0681 60.1701 29.3950 177.7152 101 N 4.6312 9.1420 113.6029 52.8822 38.7685 174.8470 102 E 3.7116 8.1357 116.8255 57.4963 27.3324 173.6122 103 D 5.0619 8.2992 117.8757 50.7889 42.5110 174.4017 104 P 4.3521 0.0000 0.0000 63.3771 31.3611 176.4808 105 R 3.9137 8.6507 122.6383 58.7591 30.3121 176.6453 106 G 4.0391 7.6677 105.6028 44.8068 0.0000 172.2422 107 T 4.4789 8.6361 113.3706 63.6436 70.7705 174.6344 108 E 4.7831 9.2715 120.4087 54.3834 33.8177 174.7231 109 L 4.9823 8.5344 123.1783 53.4012 43.3057 175.9657 110 K 4.2944 8.3888 123.5633 56.1739 33.2717 178.0321 111 G 3.9468 8.9355 111.1950 44.0597 0.0000 170.4521 112 P 4.8983 0.0000 0.0000 62.8962 32.6347 175.5215 113 I 4.7473 8.3490 118.5186 59.5577 42.1015 174.8508 114 A 4.8675 8.2259 127.1485 51.7034 19.1960 179.0675 115 R 3.9149 8.7297 118.7192 59.6192 29.1665 179.2719 116 E 3.9570 8.3217 118.6258 59.2535 29.3146 179.3367 117 V 3.6968 7.8142 117.8184 65.4150 31.3849 177.8814 118 A 3.9987 8.0447 120.9635 55.2712 18.1620 179.3573 119 Q 4.0114 7.1893 113.7848 57.6035 29.0918 177.4153 120 R 4.0416 7.9167 117.2495 57.0616 32.3595 176.3687 121 F 4.8542 7.7783 120.2819 54.6437 39.3380 176.0818 122 G 3.7205 8.5971 111.9770 47.8987 0.0000 172.6250 123 S 4.0846 8.1240 118.2388 60.1988 62.5170 176.6372 124 V 3.5926 7.8416 121.3267 65.6285 31.4330 177.7247 125 A 4.1186 8.1459 120.8319 55.1198 18.3895 179.9138 126 S 4.5039 8.8118 110.2475 58.9538 62.6216 174.9720 127 A 4.6617 7.5375 121.5685 51.7423 20.2894 177.1491 128 A 4.2637 8.2952 119.7196 52.2369 19.2468 178.1135 129 T 4.1818 8.5414 118.5819 66.0818 69.2972 175.0875 130 M 4.8391 7.8290 119.9731 53.4704 35.6224 174.6946 131 I 4.7577 8.3199 122.7629 59.4797 40.2718 175.5399 132 V 3.9162 8.7341 126.9513 62.9522 31.5331 175.7263 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 4.45 0.00 1.97 2.11 0.00 0.00 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.59 0.00 2 E 8.34 3.90 0.00 1.94 1.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.27 2.33 0.00 3 A 9.39 3.99 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 4 L 8.49 4.01 0.00 1.64 1.74 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 0.00 0.00 0.00 0.00 0.00 0.00 5 G 9.19 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 0.00 0.00 0.00 6 A 7.44 4.50 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 7 D 8.49 4.75 0.00 2.64 2.61 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 8 V 8.44 4.69 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 0.83 0.00 0.00 0.95 0.00 0.00 9 T 8.36 4.39 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 10 Q 8.52 3.83 0.00 1.97 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.10 0.00 0.00 0.00 0.00 0.00 2.42 2.47 0.00 11 G 8.71 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 0.00 0.00 0.00 12 L 8.24 5.11 0.00 1.66 1.48 0.88 0.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 13 E 9.00 5.15 0.00 1.84 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 2.21 2.23 0.00 14 K 8.31 3.99 0.00 1.73 1.71 0.00 1.78 0.00 0.00 1.70 0.00 0.00 2.84 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.44 1.56 7.81 15 G 9.14 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 16 S 8.15 4.33 0.00 3.80 3.77 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 17 L 8.44 5.09 0.00 1.51 1.60 0.96 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 18 I 8.79 4.67 1.99 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.93 0.88 0.00 0.00 19 T 8.57 4.52 4.32 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 1.20 0.00 0.00 20 C 8.49 4.76 0.00 2.97 3.03 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 21 A 8.30 4.53 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 22 D 7.62 5.53 0.00 2.78 2.62 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 0.00 0.00 0.00 0.00 23 N 8.31 4.97 0.00 2.86 3.03 0.00 0.00 5.71 7.22 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 24 T 8.38 3.87 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 1.28 0.00 0.00 25 G 7.75 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 A 7.37 4.79 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 27 R 8.89 4.37 0.00 1.77 1.96 0.00 3.06 0.00 0.00 3.09 7.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 28 E 8.06 5.12 0.00 2.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.28 0.00 29 L 9.15 5.20 0.00 1.53 1.49 0.88 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 30 K 8.64 4.97 0.00 1.77 1.62 0.00 1.62 0.00 0.00 1.56 0.00 0.00 2.79 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.30 1.32 7.81 31 V 8.76 3.93 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 0.84 0.00 0.00 0.95 0.00 0.00 32 I 8.53 4.35 1.98 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 1.22 0.96 0.91 0.00 0.00 33 S 7.79 4.67 0.00 3.75 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 34 V 8.26 4.59 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 0.99 0.00 0.00 0.82 0.00 0.00 35 H 8.96 4.05 0.00 3.22 3.36 0.00 6.16 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.55 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 37 Y 7.89 4.71 0.00 2.94 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 38 S 7.52 4.44 0.00 3.79 3.61 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 39 G 7.75 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 40 T 8.43 4.43 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 1.23 0.00 0.00 41 K 8.45 3.95 0.00 1.75 1.75 0.00 1.91 0.00 0.00 1.71 0.00 0.00 2.79 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.44 1.52 7.81 42 N 9.01 4.59 0.00 2.95 3.02 0.00 0.00 7.06 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 43 R 8.03 4.07 0.00 1.78 2.06 0.00 3.37 0.00 0.00 3.36 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.65 0.00 44 H 8.75 4.48 0.00 3.33 3.21 0.00 5.80 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 45 P 0.00 4.54 0.00 2.14 2.45 0.00 3.72 0.00 0.00 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.06 0.00 46 K 7.96 4.97 0.00 1.65 1.74 0.00 1.49 0.00 0.00 1.72 0.00 0.00 3.12 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.07 1.12 7.81 47 A 8.91 4.73 1.11 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 48 G 9.30 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 0.00 0.00 0.00 0.00 49 L 8.59 4.12 0.00 1.57 1.62 0.98 1.06 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 50 G 9.05 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 51 D 7.85 4.83 0.00 2.77 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 52 K 8.67 4.73 0.00 1.85 1.68 0.00 1.54 0.00 0.00 1.73 0.00 0.00 2.64 0.00 0.00 2.78 0.00 0.00 0.00 0.00 1.36 1.43 7.81 53 I 8.49 4.95 1.96 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.57 0.88 0.00 0.00 54 T 8.78 4.69 4.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 55 V 9.28 5.09 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 1.04 0.00 0.00 0.94 0.00 0.00 56 S 8.69 5.19 0.00 3.89 3.88 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 57 V 8.30 4.21 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.96 0.00 0.00 0.94 0.00 0.00 58 T 8.84 3.99 4.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 59 K 8.88 4.58 0.00 1.65 1.64 0.00 1.66 0.00 0.00 1.82 0.00 0.00 2.81 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.40 1.39 7.81 60 G 8.63 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 61 T 8.17 3.97 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 1.24 0.00 0.00 62 P 0.00 4.19 0.00 2.17 2.17 0.00 3.59 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 2.12 2.21 0.00 63 E 8.11 3.74 0.00 1.93 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 2.34 0.00 64 M 8.21 4.23 0.00 2.00 2.20 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.69 2.70 0.00 65 R 6.76 4.09 0.00 1.82 1.87 0.00 3.27 0.00 0.00 3.22 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.61 0.00 66 R 8.48 3.93 0.00 1.98 2.07 0.00 3.15 0.00 0.00 3.22 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.58 0.00 67 Q 7.62 4.23 0.00 2.10 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.79 0.00 0.00 0.00 0.00 0.00 2.36 2.38 0.00 68 V 8.37 4.21 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 0.82 0.00 0.00 0.92 0.00 0.00 69 L 8.61 4.84 0.00 1.59 1.52 0.90 0.50 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 70 E 8.38 5.09 0.00 2.00 1.71 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 2.23 2.26 0.00 71 A 8.49 4.88 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 72 V 8.07 4.53 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 0.87 0.00 0.00 -0.19 0.00 0.00 73 V 8.48 4.04 2.20 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 0.88 0.00 0.00 0.89 0.00 0.00 74 V 8.94 3.99 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 0.79 0.00 0.00 0.95 0.00 0.00 75 R 7.45 4.22 0.00 1.49 1.43 0.00 3.21 0.00 0.00 3.54 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.22 0.00 76 Q 8.00 4.89 0.00 2.07 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.92 0.00 0.00 0.00 0.00 0.00 2.31 2.65 0.00 77 R 9.08 4.31 0.00 1.85 2.07 0.00 3.15 0.00 0.00 3.03 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.55 0.00 78 K 7.87 4.18 0.00 1.76 1.73 0.00 1.69 0.00 0.00 1.72 0.00 0.00 3.00 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.53 1.56 7.81 79 P 0.00 5.00 0.00 1.99 1.98 0.00 3.69 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.10 0.00 80 I 8.73 4.79 2.03 0.00 0.00 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.28 0.99 0.00 0.00 81 R 8.78 4.85 0.00 1.94 1.84 0.00 3.07 0.00 0.00 3.17 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.75 0.00 82 R 8.75 4.84 0.00 1.79 1.81 0.00 3.22 0.00 0.00 3.17 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.60 0.00 83 P 0.00 3.94 0.00 2.04 2.14 0.00 3.67 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.13 0.00 84 D 8.05 4.61 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 85 G 8.87 4.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 86 T 7.51 4.10 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 1.19 0.00 0.00 87 R 8.41 5.07 0.00 1.67 1.83 0.00 3.32 0.00 0.00 3.16 7.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.54 0.00 88 V 8.79 4.55 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 0.75 0.00 0.00 0.89 0.00 0.00 89 K 8.40 5.07 0.00 2.01 1.72 0.00 1.59 0.00 0.00 1.70 0.00 0.00 2.73 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.24 1.41 7.81 90 F 8.83 4.79 0.00 3.17 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 91 E 9.07 4.16 0.00 1.97 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 2.31 2.26 0.00 92 D 7.73 4.73 0.00 2.68 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 93 N 8.71 5.24 0.00 2.63 2.72 0.00 0.00 6.48 7.08 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 94 A 8.80 5.24 1.12 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 95 A 9.22 5.01 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 96 V 8.31 4.57 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 0.98 0.00 0.00 0.92 0.00 0.00 97 I 8.36 4.29 1.83 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 1.24 0.63 0.90 0.00 0.00 98 V 8.61 4.90 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 0.59 0.00 0.00 0.85 0.00 0.00 99 D 7.90 5.11 0.00 2.85 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 0.00 100 E 8.91 3.90 0.00 1.97 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 2.34 0.00 101 N 9.14 4.63 0.00 2.97 2.85 0.00 0.00 7.14 6.27 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 0.00 102 E 8.14 3.71 0.00 2.21 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 2.22 2.30 0.00 103 D 8.30 5.06 0.00 2.86 2.57 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 0.00 104 P 0.00 4.35 0.00 2.15 2.07 0.00 3.76 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 1.99 1.98 0.00 105 R 8.65 3.91 0.00 1.78 1.97 0.00 3.23 0.00 0.00 3.21 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.56 0.00 106 G 7.67 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 0.00 0.00 0.00 107 T 8.64 4.48 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 1.21 0.00 0.00 108 E 9.27 4.78 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 2.21 2.25 0.00 109 L 8.53 4.98 0.00 1.52 1.59 0.96 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 110 K 8.39 4.29 0.00 1.67 1.74 0.00 1.74 0.00 0.00 1.70 0.00 0.00 2.96 0.00 0.00 3.08 0.00 0.00 0.00 0.00 1.42 1.38 7.81 111 G 8.94 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 P 0.00 4.90 0.00 2.26 2.17 0.00 3.81 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 2.16 2.12 0.00 113 I 8.35 4.75 1.90 0.00 0.00 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.58 0.92 0.00 0.00 114 A 8.23 4.87 1.42 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 0.00 115 R 8.73 3.91 0.00 2.06 2.25 0.00 2.81 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 116 E 8.32 3.96 0.00 2.11 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 2.43 2.61 0.00 117 V 7.81 3.70 2.22 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 1.31 0.00 0.00 0.99 0.00 0.00 118 A 8.04 4.00 1.38 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 0.00 0.00 119 Q 7.19 4.01 0.00 2.11 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.66 0.00 0.00 0.00 0.00 0.00 2.37 2.40 0.00 120 R 7.92 4.04 0.00 1.26 0.66 0.00 2.89 0.00 0.00 2.88 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 1.29 0.00 121 F 7.78 4.85 0.00 3.13 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 G 8.60 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 0.00 123 S 8.12 4.08 0.00 4.07 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 0.00 124 V 7.84 3.59 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 1.04 0.00 0.00 0.91 0.00 0.00 125 A 8.15 4.12 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 S 8.81 4.50 0.00 4.00 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 0.00 127 A 7.54 4.66 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 0.00 128 A 8.30 4.26 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 0.00 129 T 8.54 4.18 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 0.00 130 M 7.83 4.84 0.00 1.95 1.95 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 2.54 0.00 131 I 8.32 4.76 1.90 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 1.26 0.63 0.95 0.00 0.00 132 V 8.73 3.92 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 0.97 0.00 0.00