NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 E 4.4479 8.4293 121.4688 56.4168 30.6763 175.7103 2 T 4.3278 8.4730 117.3060 59.0624 72.2940 170.3715 3 V 3.6118 8.9823 121.0583 66.3156 31.7566 178.6773 4 Q 4.0281 8.2345 117.1214 59.1653 28.7481 178.1907 5 D 4.4373 8.1022 119.5745 58.0383 40.7733 178.8119 6 C 4.3185 8.1219 115.0297 60.3369 36.7891 175.9369 7 E 3.9994 8.4513 120.0892 59.4389 28.7785 179.1879 8 N 4.4322 8.5784 116.6056 55.3233 38.5532 176.4034 9 K 4.4409 7.5097 118.1171 55.9213 33.5131 176.7142 10 L 4.1803 7.0033 120.1954 54.2179 42.4256 175.2971 11 P 4.5189 0.0000 0.0000 61.7575 32.7599 175.5051 12 P 4.2027 0.0000 0.0000 66.1711 31.0277 178.9473 13 S 4.2668 7.9350 111.3730 61.1460 63.3833 175.8703 14 L 4.2015 8.4117 122.7827 57.0710 41.5467 179.0811 15 K 3.8997 8.0549 118.0312 59.6540 31.7627 178.8555 16 S 4.4145 7.6162 112.2597 59.9381 62.9751 175.0000 17 R 4.6259 7.7128 121.0914 55.4842 30.9105 177.5313 18 L 3.9159 7.8164 122.5210 58.8283 41.7798 178.2131 19 C 4.4305 8.1022 115.5913 59.5617 40.3283 175.8698 20 E 3.9545 7.9537 120.0318 59.4835 29.1475 178.6770 21 I 3.6748 7.6272 119.6996 64.8780 37.0944 178.6537 22 R 3.2649 8.3915 117.1648 58.2397 29.9145 178.2112 23 R 4.3740 7.1664 116.5323 55.3545 30.3557 175.7371 24 Y 3.6799 8.1556 116.2617 58.9541 35.7591 169.4506 25 E 4.2151 8.0927 119.5623 56.1152 30.1203 176.8777 26 I 4.1922 8.3156 124.7079 60.8938 37.9003 175.3924 27 I 4.4978 8.3037 125.4917 59.4519 39.5169 175.4203 28 E 4.3606 8.6369 125.2518 55.4722 30.7499 175.6323 29 G 4.2615 8.9024 106.6868 43.6901 0.0000 173.4720 30 P 4.4345 0.0000 0.0000 65.4140 31.2322 178.6959 31 E 4.1911 8.0934 116.5021 58.8297 29.6603 178.6490 32 M 4.0569 7.9535 118.6426 58.1369 32.0993 177.9131 33 D 4.4202 8.1226 119.1968 57.6264 41.1165 179.3699 34 K 4.0022 7.9130 118.0945 59.6695 32.0502 178.9855 35 H 4.1878 8.3540 118.5487 59.4000 29.8026 177.4745 36 I 3.5011 8.0746 122.0958 64.1858 36.7837 177.5470 37 H 4.0612 8.0091 118.8973 59.6239 29.6277 176.2550 38 C 4.2683 8.1229 119.6969 59.9957 41.6568 176.0505 39 V 3.5835 7.7673 113.9305 64.5236 31.1280 178.5981 40 M 4.3563 8.3424 118.6926 58.4795 31.8314 178.9973 41 R 3.8810 8.3936 118.4733 59.1629 29.9977 178.9705 42 A 3.9710 7.8202 119.5942 54.4365 18.4519 178.6734 43 L 3.9367 7.3577 114.5124 53.6782 42.0956 176.0448 44 D 4.3862 7.4732 117.3682 55.4731 39.7889 174.4492 45 F 4.9774 8.4164 116.4733 57.6374 39.8546 176.3069 46 V 4.7339 7.2300 112.5064 59.3174 35.4120 174.6686 47 Y 4.3684 8.9119 121.1340 57.4967 38.4719 177.1176 48 E 3.9893 8.9335 120.2257 59.2174 29.5344 177.9315 49 D 4.6860 8.2914 116.1487 53.0019 39.5652 177.2859 50 G 4.0384 8.9926 110.3956 45.1604 0.0000 173.5997 51 R 4.0729 7.9869 121.9663 56.1639 30.9510 176.2591 52 G 2.6285 8.0249 113.6214 46.0023 0.0000 172.7516 53 D 4.7794 8.6943 123.6955 52.3516 41.5529 176.0350 54 Y 4.0927 8.7706 128.1442 61.0667 38.9546 178.2800 55 H 4.5964 8.3721 114.9176 57.8190 29.0748 176.6524 56 K 4.3540 8.0914 117.9450 58.0819 32.3338 177.6262 57 L 4.5620 7.7702 116.5365 55.7072 44.8619 177.5977 58 Y 3.8057 8.1836 119.2167 61.0019 38.4906 178.3015 59 D 4.2340 8.1557 118.6384 56.9448 41.1762 176.6799 60 P 4.1918 0.0000 0.0000 65.6818 31.2747 178.4320 61 L 3.7657 7.9065 117.6855 58.0542 41.2886 179.4592 62 N 4.5500 7.5136 116.0250 55.2413 38.5149 177.4083 63 I 3.8482 8.1003 121.2988 64.2089 37.2255 178.2364 64 I 4.1293 7.5906 119.7679 62.8232 37.3462 176.1779 65 E 4.2410 8.3650 123.6002 53.8493 30.7253 173.6874 66 L 4.2047 8.3387 128.5299 55.4169 42.1232 176.0621 67 D 4.5385 9.0975 126.4070 52.5909 43.9493 176.2495 68 K 4.1199 8.6775 125.8937 59.4732 33.0986 179.0255 69 R 3.7333 8.1747 118.8704 58.5616 29.8427 178.2616 70 H 4.6521 7.6704 118.1328 58.2677 28.6873 177.0176 71 D 4.5010 7.7117 119.3494 57.4499 41.0678 178.4465 72 V 3.6497 7.8022 118.1466 66.1495 31.5856 177.5483 73 N 4.2958 8.9059 116.7235 56.2020 38.3734 177.3106 74 L 4.0265 8.3214 120.7306 57.9982 41.6886 179.4860 75 E 4.1220 8.4418 118.3416 59.3501 29.4072 179.3492 76 K 3.9435 8.3792 119.8444 59.8488 32.2759 178.1901 77 C 4.4147 8.5172 116.7210 59.7458 34.7151 176.1022 78 I 3.8626 8.6815 122.2551 64.1611 36.4289 178.2985 79 G 3.7910 8.1833 105.8915 48.2898 0.0000 175.1343 80 E 4.1873 8.4669 121.9302 58.9306 29.3702 179.3833 81 C 4.3326 8.3302 114.5928 61.1715 29.6080 175.6660 82 V 4.0020 7.6098 112.5586 62.0892 31.3375 176.4779 83 Q 4.5518 7.5221 115.2110 55.7314 28.8984 175.7137 84 V 4.3613 7.1408 111.8541 59.0990 33.8053 173.9967 85 P 4.4730 0.0000 0.0000 62.7535 31.9713 177.7077 86 T 3.9192 8.4975 114.1240 65.3090 67.0033 176.3255 87 S 4.1738 8.1967 115.0347 60.6734 63.0496 174.9344 88 E 4.5896 8.1335 120.4552 55.8607 30.3192 177.4974 89 R 3.9418 7.9263 118.4628 60.1113 30.2227 177.8741 90 A 4.3928 8.0839 121.4595 54.9306 18.4485 178.7962 91 H 4.2419 8.3764 116.2094 59.6245 29.9527 177.4482 92 V 3.6715 7.9398 119.9235 65.8179 31.3180 177.6873 93 F 4.2082 8.6036 120.4427 61.5194 39.3009 176.0086 94 Y 4.0233 8.4742 119.4849 61.0414 38.5072 178.6469 95 K 3.9079 8.8490 119.1794 59.4499 32.1727 178.4673 96 C 4.1229 8.2361 118.7937 59.6808 43.3193 175.6070 97 L 3.5634 7.1781 118.8758 57.7777 41.1728 179.2789 98 L 3.9768 7.4119 117.4163 57.5629 41.5732 179.3106 99 K 4.1553 7.9047 117.2292 57.4582 32.5701 177.3538 100 S 4.4647 7.4429 114.6032 57.0627 64.3725 174.7720 101 T 3.9407 7.5805 114.7363 64.5846 67.2312 175.1292 102 T 4.1875 7.9201 117.5029 65.2582 69.3764 176.9885 103 G 3.8502 7.8126 108.8886 48.0769 0.0000 175.2661 104 R 3.7662 8.0031 120.9645 59.5041 29.8836 178.2150 105 T 4.1508 7.6624 114.2966 65.7183 68.8139 176.4803 106 F 4.1532 8.5602 123.0880 61.4414 39.2208 177.3526 107 K 2.8421 7.7513 117.7423 59.0091 31.7390 179.4702 108 K 4.0358 7.1920 118.8645 59.4764 31.9068 179.6481 109 V 3.6032 7.7709 118.5607 65.6991 31.3397 177.8095 110 F 4.2264 8.4048 120.8530 61.4590 39.2352 176.7505 111 D 4.6874 8.5941 118.5485 57.5285 40.6500 178.7613 112 L 3.7395 8.1361 119.2681 58.1321 41.5876 179.2042 113 M 3.9359 8.1373 117.9364 58.5380 31.7702 177.6955 114 E 3.8208 8.3797 119.4751 59.5132 29.8754 178.8718 115 L 4.0907 7.9444 118.1106 56.7000 41.8147 179.6556 116 K 4.1040 8.2163 119.4957 59.4969 31.9274 179.2070 117 K 4.1620 8.1982 116.0476 57.9224 32.0798 178.1306 118 A 4.5604 7.4844 118.7006 51.4217 19.5555 177.7574 119 G 3.8765 7.7392 104.7940 45.9737 0.0000 174.9840 120 K 4.2608 8.1379 121.1592 57.7856 32.5005 177.7367 121 V 4.6009 7.3542 109.7559 58.2947 35.6891 173.4523 122 P 4.4773 0.0000 0.0000 62.7551 31.7395 177.3625 123 Q 4.2053 8.6491 118.1161 57.8802 28.6787 176.5984 124 H 4.7674 7.8716 112.2127 54.5876 29.2082 174.1669 125 Q 3.6168 7.9528 121.6078 57.2674 28.9711 177.1109 126 R 4.3400 8.1613 123.8147 55.2317 31.9522 176.5520 127 Y 4.1164 8.1053 120.8079 56.7632 37.2607 174.9219 128 T 4.5396 7.6044 115.2105 59.3044 72.5787 175.0534 129 A 3.9351 8.5429 123.2967 55.7417 18.1845 179.7322 130 E 3.8305 8.0889 116.8932 59.2104 29.7564 178.4180 131 F 4.0296 8.3710 121.0011 61.4518 39.3483 177.4705 132 V 3.1816 7.6165 111.7677 64.3519 31.3607 178.0598 133 Q 3.8704 7.6660 119.0152 59.5933 28.8507 178.9158 134 I 3.6554 7.4801 120.4745 64.4796 37.0897 178.0817 135 M 3.9075 7.6592 119.2067 57.9591 31.8911 178.5605 136 K 3.9633 7.9839 119.0920 59.6342 32.1467 179.1030 137 D 4.4178 8.1417 119.0729 57.2518 40.4192 178.2987 138 Y 3.9417 7.6737 119.1637 60.7264 39.0299 177.3192 139 D 4.5365 8.3951 119.9353 57.1111 40.8480 178.3203 140 K 3.7740 8.4594 120.4510 59.7236 31.9462 178.3306 141 A 4.0426 7.5851 118.5169 53.7189 18.3108 178.2854 142 L 4.3474 7.7299 116.2062 53.9220 42.2866 176.5898 143 N 4.5058 8.2563 117.1243 53.6101 38.4403 173.3979 144 C 4.5404 7.8768 118.7372 57.4672 41.6785 173.5233 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 E 8.43 4.45 0.00 1.95 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 2.20 2.32 0.00 2 T 8.47 4.33 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 3 V 8.98 3.61 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 1.37 0.00 0.00 0.96 0.00 0.00 4 Q 8.23 4.03 0.00 2.18 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.54 0.00 0.00 0.00 0.00 0.00 2.52 2.60 0.00 5 D 8.10 4.44 0.00 2.97 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 6 C 8.12 4.32 0.00 3.17 3.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7 E 8.45 4.00 0.00 2.19 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 2.39 2.62 0.00 8 N 8.58 4.43 0.00 2.85 2.88 0.00 0.00 7.00 7.30 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 9 K 7.51 4.44 0.00 1.95 1.90 0.00 1.62 0.00 0.00 1.72 0.00 0.00 3.05 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.70 1.48 7.81 10 L 7.00 4.18 0.00 1.69 1.58 0.81 0.73 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 11 P 0.00 4.52 0.00 2.21 2.16 0.00 3.70 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 2.05 2.13 0.00 12 P 0.00 4.20 0.00 2.09 2.16 0.00 3.85 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 2.12 2.07 0.00 13 S 7.93 4.27 0.00 4.02 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 0.00 14 L 8.41 4.20 0.00 1.76 1.69 0.90 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 0.00 0.00 0.00 0.00 0.00 0.00 15 K 8.05 3.90 0.00 1.91 1.85 0.00 1.65 0.00 0.00 1.80 0.00 0.00 3.05 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.51 1.77 7.81 16 S 7.62 4.41 0.00 3.90 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 17 R 7.71 4.63 0.00 1.83 2.09 0.00 3.14 0.00 0.00 3.09 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.64 0.00 18 L 7.82 3.92 0.00 1.85 1.66 1.01 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 19 C 8.10 4.43 0.00 3.00 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 20 E 7.95 3.95 0.00 2.24 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 2.57 2.40 0.00 21 I 7.63 3.67 2.02 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.13 0.92 0.00 0.00 22 R 8.39 3.26 0.00 1.67 1.91 0.00 3.18 0.00 0.00 3.23 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.80 0.00 23 R 7.17 4.37 0.00 1.94 1.99 0.00 3.29 0.00 0.00 3.23 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.93 0.00 24 Y 8.16 3.68 0.00 3.00 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 25 E 8.09 4.22 0.00 2.17 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 2.37 2.31 0.00 26 I 8.32 4.19 1.93 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.53 0.99 0.00 0.00 27 I 8.30 4.50 1.92 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 1.45 0.66 0.94 0.00 0.00 28 E 8.64 4.36 0.00 2.00 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 2.35 2.27 0.00 29 G 8.90 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 0.00 0.00 0.00 0.00 30 P 0.00 4.43 0.00 2.18 2.14 0.00 3.61 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.21 0.00 31 E 8.09 4.19 0.00 1.98 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 0.00 2.38 2.34 0.00 32 M 7.95 4.06 0.00 1.99 2.28 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 2.84 2.58 0.00 33 D 8.12 4.42 0.00 2.94 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 34 K 7.91 4.00 0.00 2.00 1.87 0.00 1.68 0.00 0.00 1.58 0.00 0.00 2.93 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.46 1.73 7.81 35 H 8.35 4.19 0.00 3.29 3.38 0.00 5.78 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 I 8.07 3.50 1.66 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.30 0.42 0.00 0.00 37 H 8.01 4.06 0.00 3.36 3.49 0.00 5.79 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 C 8.12 4.27 0.00 3.21 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 39 V 7.77 3.58 2.35 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 0.67 0.00 0.00 1.12 0.00 0.00 40 M 8.34 4.36 0.00 2.28 2.43 0.00 0.00 0.00 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.95 3.11 0.00 41 R 8.39 3.88 0.00 1.94 1.93 0.00 3.35 0.00 0.00 3.32 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.63 0.00 42 A 7.82 3.97 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 43 L 7.36 3.94 0.00 0.57 0.60 -0.18 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.49 0.00 0.00 0.00 0.00 0.00 0.00 44 D 7.47 4.39 0.00 2.62 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 45 F 8.42 4.98 0.00 3.26 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 46 V 7.23 4.73 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 0.94 0.00 0.00 0.90 0.00 0.00 47 Y 8.91 4.37 0.00 3.09 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 48 E 8.93 3.99 0.00 2.03 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 2.37 2.39 0.00 49 D 8.29 4.69 0.00 2.79 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 50 G 8.99 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 51 R 7.99 4.07 0.00 1.88 2.04 0.00 3.08 0.00 0.00 3.13 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.56 0.00 52 G 8.02 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.69 4.78 0.00 2.19 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 54 Y 8.77 4.09 0.00 3.08 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 55 H 8.37 4.60 0.00 3.34 3.46 0.00 5.71 0.00 0.00 0.00 0.00 7.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 K 8.09 4.35 0.00 2.08 2.15 0.00 1.68 0.00 0.00 1.75 0.00 0.00 3.09 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.64 1.78 7.81 57 L 7.77 4.56 0.00 1.75 1.52 0.94 0.54 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 58 Y 8.18 3.81 0.00 2.49 2.92 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 59 D 8.16 4.23 0.00 2.82 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 60 P 0.00 4.19 0.00 2.14 2.12 0.00 3.67 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 2.44 2.23 0.00 61 L 7.91 3.77 0.00 1.51 1.05 0.72 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 0.00 0.00 0.00 0.00 0.00 0.00 62 N 7.51 4.55 0.00 2.47 2.70 0.00 0.00 6.99 7.57 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 63 I 8.10 3.85 1.95 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 1.51 0.67 0.89 0.00 0.00 64 I 7.59 4.13 1.74 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.40 0.71 0.00 0.00 65 E 8.37 4.24 0.00 1.89 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 2.14 2.23 0.00 66 L 8.34 4.20 0.00 1.59 1.57 0.94 1.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 67 D 9.10 4.54 0.00 2.57 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 0.00 0.00 0.00 68 K 8.68 4.12 0.00 1.99 2.06 0.00 1.55 0.00 0.00 1.81 0.00 0.00 2.87 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.46 1.44 7.81 69 R 8.17 3.73 0.00 1.88 2.09 0.00 3.08 0.00 0.00 3.13 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.61 0.00 70 H 7.67 4.65 0.00 3.06 3.14 0.00 5.63 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 D 7.71 4.50 0.00 3.10 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 72 V 7.80 3.65 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 1.11 0.00 0.00 1.01 0.00 0.00 73 N 8.91 4.30 0.00 2.90 2.76 0.00 0.00 7.08 6.75 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 74 L 8.32 4.03 0.00 1.87 1.78 0.46 0.86 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 75 E 8.44 4.12 0.00 2.23 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 2.78 2.56 0.00 76 K 8.38 3.94 0.00 1.90 2.02 0.00 1.62 0.00 0.00 1.65 0.00 0.00 2.92 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.44 1.50 7.81 77 C 8.52 4.41 0.00 3.06 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 78 I 8.68 3.86 2.04 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 1.72 0.93 0.00 0.00 79 G 8.18 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 80 E 8.47 4.19 0.00 2.09 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 2.35 2.53 0.00 81 C 8.33 4.33 0.00 3.53 3.54 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 82 V 7.61 4.00 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 1.04 0.00 0.00 83 Q 7.52 4.55 0.00 2.17 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.10 6.73 0.00 0.00 0.00 0.00 0.00 2.52 2.36 0.00 84 V 7.14 4.36 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 0.75 0.00 0.00 1.05 0.00 0.00 85 P 0.00 4.47 0.00 2.20 1.99 0.00 3.76 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.09 0.00 86 T 8.50 3.92 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 87 S 8.20 4.17 0.00 4.07 4.02 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 88 E 8.13 4.59 0.00 2.09 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 2.26 2.51 0.00 89 R 7.93 3.94 0.00 2.13 2.07 0.00 3.47 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.83 0.00 90 A 8.08 4.39 1.47 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 91 H 8.38 4.24 0.00 3.26 3.52 0.00 5.70 0.00 0.00 0.00 0.00 6.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 92 V 7.94 3.67 2.31 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 1.08 0.00 0.00 1.00 0.00 0.00 93 F 8.60 4.21 0.00 3.28 3.37 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 94 Y 8.47 4.02 0.00 3.37 3.34 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 95 K 8.85 3.91 0.00 1.80 1.84 0.00 1.70 0.00 0.00 1.47 0.00 0.00 2.55 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.57 1.77 7.81 96 C 8.24 4.12 0.00 2.99 3.17 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 0.00 97 L 7.18 3.56 0.00 0.98 0.94 -0.57 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.00 0.00 0.00 0.00 0.00 0.00 98 L 7.41 3.98 0.00 1.60 1.58 0.31 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.90 4.16 0.00 1.66 1.81 0.00 1.66 0.00 0.00 1.73 0.00 0.00 3.06 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.42 1.69 7.81 100 S 7.44 4.46 0.00 3.94 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 0.00 101 T 7.58 3.94 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 1.20 0.00 0.00 102 T 7.92 4.19 4.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.00 0.00 103 G 7.81 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 0.00 104 R 8.00 3.77 0.00 1.81 1.88 0.00 3.11 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.67 0.00 105 T 7.66 4.15 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 1.08 0.00 0.00 106 F 8.56 4.15 0.00 2.76 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 0.00 107 K 7.75 2.84 0.00 1.47 1.31 0.00 1.49 0.00 0.00 1.43 0.00 0.00 2.85 0.00 0.00 2.73 0.00 0.00 0.00 0.00 0.30 1.00 7.81 108 K 7.19 4.04 0.00 1.77 1.14 0.00 1.08 0.00 0.00 0.61 0.00 0.00 2.62 0.00 0.00 2.91 0.00 0.00 0.00 0.00 0.83 1.28 7.81 109 V 7.77 3.60 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 1.04 0.00 0.00 0.90 0.00 0.00 110 F 8.40 4.23 0.00 2.54 2.96 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 0.00 111 D 8.59 4.69 0.00 3.31 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 0.00 112 L 8.14 3.74 0.00 1.80 1.55 0.91 -0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 113 M 8.14 3.94 0.00 2.06 2.20 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 2.28 2.29 0.00 114 E 8.38 3.82 0.00 2.14 2.24 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 2.13 2.34 0.00 115 L 7.94 4.09 0.00 1.90 1.71 0.71 0.08 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 0.00 116 K 8.22 4.10 0.00 1.86 1.81 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.90 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.41 1.56 7.81 117 K 8.20 4.16 0.00 1.63 1.81 0.00 1.52 0.00 0.00 1.61 0.00 0.00 2.88 0.00 0.00 2.77 0.00 0.00 0.00 0.00 1.39 1.47 7.81 118 A 7.48 4.56 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 G 7.74 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 0.00 0.00 0.00 120 K 8.14 4.26 0.00 1.89 1.93 0.00 1.76 0.00 0.00 1.80 0.00 0.00 3.08 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.56 1.73 7.81 121 V 7.35 4.60 2.24 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 0.94 0.00 0.00 0.94 0.00 0.00 122 P 0.00 4.48 0.00 2.24 2.20 0.00 3.83 0.00 0.00 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 1.94 0.00 123 Q 8.65 4.21 0.00 2.08 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 7.02 0.00 0.00 0.00 0.00 0.00 2.36 2.29 0.00 124 H 7.87 4.77 0.00 3.23 3.35 0.00 5.56 0.00 0.00 0.00 0.00 6.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 Q 7.95 3.62 0.00 1.95 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.72 6.82 0.00 0.00 0.00 0.00 0.00 2.21 2.12 0.00 126 R 8.16 4.34 0.00 1.82 1.87 0.00 3.26 0.00 0.00 3.16 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.59 0.00 127 Y 8.11 4.12 0.00 2.81 2.86 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 0.00 128 T 7.60 4.54 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 1.22 0.00 0.00 129 A 8.54 3.94 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 0.00 130 E 8.09 3.83 0.00 2.05 1.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.36 0.00 131 F 8.37 4.03 0.00 3.02 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 0.00 132 V 7.62 3.18 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 0.47 0.00 0.00 0.87 0.00 0.00 133 Q 7.67 3.87 0.00 2.06 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.80 0.00 0.00 0.00 0.00 0.00 2.33 2.43 0.00 134 I 7.48 3.66 1.76 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 1.37 0.96 0.83 0.00 0.00 135 M 7.66 3.91 0.00 1.89 1.31 0.00 0.00 0.00 0.00 0.00 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.55 2.58 0.00 136 K 7.98 3.96 0.00 1.96 1.81 0.00 1.84 0.00 0.00 1.62 0.00 0.00 2.91 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.66 7.81 137 D 8.14 4.42 0.00 2.70 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 0.00 138 Y 7.67 3.94 0.00 3.07 3.07 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 0.00 139 D 8.40 4.54 0.00 3.00 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 0.00 140 K 8.46 3.77 0.00 1.88 1.98 0.00 1.62 0.00 0.00 1.64 0.00 0.00 2.93 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.42 1.46 7.81 141 A 7.59 4.04 1.13 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 0.00 0.00 142 L 7.73 4.35 0.00 1.77 1.66 0.96 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 143 N 8.26 4.51 0.00 2.78 3.03 0.00 0.00 6.98 8.50 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 0.00 144 C 7.88 4.54 0.00 3.09 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