NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 V 4.1023 8.0549 120.3917 62.3200 32.4763 175.2085 2 L 3.9259 8.3016 127.6880 52.5905 42.1675 176.1665 3 S 4.5041 9.7701 119.3608 57.8361 66.1153 175.0786 4 E 4.2792 8.8575 121.8143 59.7090 29.2705 179.9341 5 G 3.6154 8.0959 105.2131 47.7330 0.0000 175.3969 6 E 3.9069 8.1930 120.9654 59.0720 29.4044 179.4978 7 W 4.4015 8.2549 119.1006 59.8373 29.0919 178.3000 8 Q 4.0965 8.6347 119.8240 59.1904 28.4423 178.3574 9 L 4.0682 7.9501 119.7919 57.7535 41.6716 179.5948 10 V 3.7565 8.0098 118.0572 66.2708 31.6220 177.9499 11 L 4.3910 8.5685 118.0527 57.0113 41.3395 178.8723 12 H 4.2599 8.3192 118.6127 59.1752 30.2418 177.2586 13 V 3.7479 7.8838 120.7699 64.5275 31.3191 178.1852 14 W 3.7900 8.6332 128.8368 59.9696 30.1075 177.7923 15 A 4.0198 8.2680 120.8938 54.9608 17.8914 179.7329 16 K 3.5833 7.7058 116.9498 59.2385 31.9255 179.7753 17 V 3.0512 6.9788 119.2448 65.5226 31.3505 177.3202 18 E 3.9929 7.0652 116.1854 57.4091 29.3092 177.6529 19 A 4.0817 7.2594 120.8788 54.5347 19.4561 177.9691 20 D 4.7097 8.0402 115.1337 52.1029 42.6422 175.6104 21 V 3.5326 7.8410 123.7711 66.1877 32.0565 176.8321 22 A 4.0802 7.9779 120.0021 54.8945 18.2784 179.7415 23 G 3.6833 8.3287 105.7400 45.5462 0.0000 175.7270 24 H 4.1765 8.2248 118.9377 58.5056 28.6530 178.2190 25 G 3.5522 8.3030 107.6399 47.6395 0.0000 175.8406 26 Q 3.8669 8.1590 120.3433 58.9749 28.7913 178.6258 27 D 4.2867 7.9927 119.7667 57.3249 40.7315 179.0843 28 I 3.6591 7.9547 120.5538 64.3785 37.0828 178.5307 29 L 3.4000 7.7962 119.8578 57.4818 41.2202 179.6106 30 I 3.5681 7.6363 119.9280 64.2807 36.9522 178.3544 31 R 3.7781 7.8999 119.4548 59.2447 29.8693 178.1563 32 L 3.9416 7.8719 120.1641 58.4107 41.6356 179.0996 33 F 4.5694 8.0781 117.9055 60.5347 38.5725 177.9764 34 K 4.0316 8.2362 117.7250 59.6087 31.9692 179.3696 35 S 4.3177 8.1535 114.5611 60.2479 64.0706 174.4914 36 H 4.6920 8.1207 118.3761 52.1914 29.5531 171.9283 37 P 4.5238 0.0000 0.0000 64.3185 31.3759 177.4523 38 E 4.1163 8.2481 116.5068 59.3955 29.3423 179.1712 39 T 4.0585 8.2550 111.6052 64.6507 68.8608 176.4541 40 L 3.6089 7.9559 122.8500 57.6180 41.7889 178.4925 41 E 3.9957 7.7439 117.0975 58.7482 29.6221 178.3898 42 K 4.4397 8.0337 117.0695 57.0057 32.5040 177.2658 43 F 4.6357 8.2272 119.2361 55.5925 39.6435 175.5293 44 D 4.3559 8.5932 125.2122 57.4167 40.4541 178.7418 45 R 3.5500 7.8888 117.8153 58.4043 30.1818 176.7033 46 F 5.0614 8.1177 114.8518 56.7526 40.8155 176.5709 47 K 4.1359 7.6391 119.3413 58.5178 32.4562 177.6498 48 H 4.3749 8.0968 114.6302 57.1048 28.9395 175.1136 49 L 4.3672 7.7547 121.9029 54.2022 41.6209 176.5961 50 K 4.5105 9.3665 123.2054 56.2519 33.9969 176.7013 51 T 4.7454 7.4516 108.7038 58.8639 73.1805 174.1443 52 E 3.9119 8.6877 121.8100 59.3956 29.6895 178.8906 53 A 3.9765 7.9649 120.4400 55.1524 18.2401 179.3141 54 E 3.9314 8.1330 116.3173 59.7064 29.9487 179.0836 55 M 4.1639 8.1342 118.7266 58.5085 31.8559 179.0892 56 K 4.0083 8.2150 117.2047 58.8002 32.2797 178.4336 57 A 4.4587 7.6178 118.8122 51.5660 19.2316 176.9970 58 S 4.3507 7.4818 113.6893 57.2287 62.6900 174.4924 59 E 4.0301 8.8183 129.2768 59.1604 29.4175 177.9804 60 D 4.4132 8.1532 118.0235 57.0898 41.3052 177.7362 61 L 3.3993 8.0935 120.9976 57.7973 42.1328 178.8479 62 K 3.8554 7.9304 119.3347 59.3885 32.1523 178.7732 63 K 3.9658 8.3638 119.0146 59.9698 31.9711 178.8247 64 H 4.4216 8.7209 118.5878 59.1024 29.7635 177.3676 65 G 3.6207 8.4144 108.0387 47.8098 0.0000 175.8083 66 V 3.6162 7.7650 120.2212 66.0157 31.5759 178.1139 67 T 3.8839 7.9798 115.4964 66.6778 68.2697 176.6599 68 V 3.5865 7.9417 119.9999 66.2356 31.6170 178.2025 69 L 4.2412 8.1790 118.5210 57.7773 41.4164 179.6880 70 T 3.9672 8.4106 116.2997 66.5656 68.4642 176.5520 71 A 4.0108 8.0378 122.7364 55.0495 18.3644 179.4796 72 L 3.7837 8.2395 119.1750 58.0248 42.0997 179.3555 73 G 3.2605 8.5013 105.9486 47.6730 0.0000 175.5302 74 A 3.9966 7.7227 122.1591 54.7767 18.6866 179.6196 75 I 3.8015 7.5868 118.2137 64.5596 37.1731 178.6147 76 L 3.9711 7.9196 120.2045 57.7073 41.2055 179.5272 77 K 3.9849 7.8030 116.5059 58.1509 32.2560 178.6274 78 K 3.9750 7.8046 118.2740 55.8124 32.7344 176.4443 79 K 2.0000 8.3080 118.4728 56.3759 29.7579 175.2299 80 G 3.9625 7.7943 106.0698 45.8566 0.0000 173.7295 81 H 4.5667 7.4176 118.8099 55.4457 27.6199 174.9766 82 H 5.3437 7.2982 110.0405 54.3785 29.7576 176.4693 83 E 3.9222 8.5725 122.6682 60.3100 29.1412 178.2843 84 A 4.0436 7.9351 118.9461 55.1386 18.5062 178.9101 85 E 4.1379 8.1002 116.6561 59.2569 29.7816 179.1096 86 L 4.1323 8.2327 119.2539 57.1325 41.6411 178.7605 87 K 3.7683 8.0387 120.1067 59.5175 31.9405 176.8541 88 P 4.3946 0.0000 0.0000 65.6566 31.2543 178.1037 89 L 3.9686 7.5515 119.9963 57.8709 42.0022 178.7328 90 A 4.1249 8.4694 121.0730 55.3425 18.3346 179.6245 91 Q 3.7946 8.2138 116.7641 59.1503 28.7677 179.3038 92 S 4.0014 8.3322 115.5475 61.7060 63.0359 176.2064 93 H 4.1955 8.7578 119.9505 58.0721 27.6381 177.7638 94 A 2.9396 7.9872 123.4018 54.7240 17.9142 179.3387 95 T 3.7614 7.1615 105.7402 62.1509 69.6084 175.4388 96 K 4.1874 7.4095 120.4672 58.3226 33.3018 176.9377 97 H 4.3115 8.0261 114.2265 56.1914 29.3176 175.3550 98 K 3.7652 6.9602 114.1584 57.4019 29.2701 176.3656 99 I 4.2398 7.8603 119.3721 58.8116 38.6141 175.0526 100 P 4.4448 0.0000 0.0000 62.1308 32.1186 177.4221 101 I 3.3985 8.4785 122.3360 64.6888 36.8822 178.4259 102 K 3.6754 7.8944 119.6119 59.7500 31.9625 178.1643 103 Y 4.1023 7.9942 116.4892 60.4462 37.7464 178.1051 104 L 4.1898 7.9493 120.4697 57.3849 41.6433 178.9000 105 E 3.9705 7.8895 119.1133 59.2226 29.6308 178.6703 106 F 4.4836 7.8351 117.8330 60.8350 38.9215 177.5789 107 I 3.8985 8.1862 118.0748 63.8832 37.7354 178.0569 108 S 4.1768 8.3039 116.4374 61.6294 62.6416 176.4232 109 E 4.0574 8.5651 121.0771 59.3320 29.1747 179.2907 110 A 4.0228 8.1465 120.8389 55.1384 18.4096 179.6247 111 I 3.6736 8.1055 118.6297 64.7748 37.2596 178.7363 112 I 3.8375 7.9875 120.5020 64.6012 36.8877 178.0389 113 H 4.1480 8.4889 119.1388 59.3833 29.7135 177.5873 114 V 3.5697 8.0366 120.1249 65.8878 31.3209 178.0175 115 L 3.7606 7.9932 119.0289 57.7160 41.0486 178.9409 116 H 4.3908 7.9600 117.4738 59.3417 29.9286 177.2283 117 S 4.1677 7.9257 115.9493 61.6571 62.7968 176.4872 118 R 4.0734 7.7637 118.6998 57.4889 31.2051 176.4653 119 H 5.0243 8.1063 115.9288 53.9316 29.8725 172.9707 120 P 4.2886 0.0000 0.0000 65.8483 31.6935 179.2691 121 G 3.7123 8.1406 106.3351 47.4161 0.0000 173.5938 122 D 5.0333 8.0757 118.2053 54.0105 41.4910 176.4675 123 F 4.9599 8.0520 121.0487 56.2719 39.6532 174.6179 124 G 3.8683 7.9205 107.9156 44.1365 0.0000 172.7601 125 A 3.9372 8.3898 120.9038 54.8649 18.2632 179.4554 126 D 4.1897 7.9830 117.0505 56.8208 39.3696 178.7497 127 A 3.9653 7.7604 122.0842 54.4555 18.3310 179.4426 128 Q 3.1607 7.9427 117.3008 58.7468 28.6790 179.2484 129 G 3.4680 8.2652 106.9141 47.5457 0.0000 175.7110 130 A 3.8551 7.9962 123.1779 55.1600 18.3381 179.4682 131 M 4.0013 8.3744 117.1001 58.5738 32.2434 177.8418 132 N 4.2937 8.4916 117.7058 56.6999 39.0338 176.9686 133 K 3.8859 8.1385 119.5594 59.3808 32.1330 179.2155 134 A 3.8215 8.0629 121.2176 55.1527 18.2191 179.7393 135 L 4.0727 8.2682 117.7012 57.6314 41.6869 179.4672 136 E 3.9711 8.5793 119.2072 59.3169 29.3782 179.0110 137 L 3.9651 8.1705 120.4603 58.1062 42.1236 178.5336 138 F 4.1384 8.3676 120.4905 61.6873 39.2176 177.3906 139 R 3.6164 8.3624 117.5595 58.9357 29.8430 178.9531 140 K 3.8587 8.5583 119.7695 59.7218 31.9292 178.6369 141 D 4.3852 8.2765 119.1968 57.1734 40.6684 178.8453 142 I 3.5385 7.6483 120.3268 64.1616 36.9404 178.2852 143 A 3.6903 8.1435 121.8286 54.9928 18.1673 179.5690 144 A 3.9969 8.0268 119.3412 55.1320 18.3836 180.1004 145 K 4.0111 7.8659 116.9809 59.7269 32.0808 179.0817 146 Y 4.0953 8.5259 117.4570 61.0188 37.7864 178.7467 147 K 3.9766 8.5964 120.8463 59.3917 32.1046 178.0376 148 E 3.9263 7.9781 118.4305 59.6307 29.6358 178.5167 149 L 4.4108 7.7853 115.0940 55.2171 41.8874 177.7311 150 G 3.8097 8.1586 107.4693 45.8223 0.0000 173.5877 151 Y 4.5887 8.2008 114.1858 57.3388 38.7241 176.7684 152 Q 4.1183 8.2562 123.0276 57.0673 29.5699 176.0868 153 G 4.0835 8.1476 110.5284 45.7006 0.0000 172.9175 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 V 8.05 4.10 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 0.96 0.00 0.00 2 L 8.30 3.93 0.00 0.70 0.56 0.57 -0.59 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 3 S 9.77 4.50 0.00 4.03 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 E 8.86 4.28 0.00 2.07 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 0.00 2.50 2.39 0.00 5 G 8.10 3.62 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 0.00 0.00 0.00 6 E 8.19 3.91 0.00 1.94 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 2.21 2.27 0.00 7 W 8.25 4.40 0.00 3.55 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 8 Q 8.63 4.10 0.00 2.28 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.48 0.00 9 L 7.95 4.07 0.00 1.96 1.75 0.94 0.79 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 10 V 8.01 3.76 2.49 0.00 0.00 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 0.90 0.00 0.00 11 L 8.57 4.39 0.00 1.85 1.82 0.93 1.02 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 12 H 8.32 4.26 0.00 3.32 3.57 0.00 5.95 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 V 7.88 3.75 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.01 0.00 0.00 0.83 0.00 0.00 14 W 8.63 3.79 0.00 3.68 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 15 A 8.27 4.02 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 16 K 7.71 3.58 0.00 1.40 1.52 0.00 1.60 0.00 0.00 1.45 0.00 0.00 2.73 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.46 1.42 7.81 17 V 6.98 3.05 0.79 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 -0.12 0.00 0.00 0.03 0.00 0.00 18 E 7.07 3.99 0.00 1.87 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 2.23 1.98 0.00 19 A 7.26 4.08 1.29 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 0.00 0.00 20 D 8.04 4.71 0.00 2.65 2.52 0.00 0.00 0.00 0.00 0.00 0.00 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 V 7.84 3.53 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 1.06 0.00 0.00 0.90 0.00 0.00 22 A 7.98 4.08 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 23 G 8.33 3.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 24 H 8.22 4.18 0.00 3.29 3.24 0.00 5.82 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 G 8.30 3.55 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 26 Q 8.16 3.87 0.00 2.21 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.34 6.75 0.00 0.00 0.00 0.00 0.00 2.30 2.48 0.00 27 D 7.99 4.29 0.00 2.61 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 28 I 7.95 3.66 1.88 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 1.51 0.66 0.89 0.00 0.00 29 L 7.80 3.40 0.00 1.27 0.76 0.75 0.44 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 30 I 7.64 3.57 1.83 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.70 0.87 0.00 0.00 31 R 7.90 3.78 0.00 1.86 1.98 0.00 2.94 0.00 0.00 3.04 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.55 0.00 32 L 7.87 3.94 0.00 1.77 1.50 1.09 1.29 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 33 F 8.08 4.57 0.00 3.10 2.91 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 34 K 8.24 4.03 0.00 1.75 1.84 0.00 1.76 0.00 0.00 1.67 0.00 0.00 2.98 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.61 7.81 35 S 8.15 4.32 0.00 3.75 3.57 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 36 H 8.12 4.69 0.00 3.05 2.78 0.00 5.62 0.00 0.00 0.00 0.00 6.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 37 P 0.00 4.52 0.00 2.15 2.10 0.00 3.82 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 2.08 1.98 0.00 38 E 8.25 4.12 0.00 2.29 2.28 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 2.03 2.39 0.00 39 T 8.26 4.06 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 1.00 0.00 0.00 40 L 7.96 3.61 0.00 1.30 1.74 -0.04 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 0.00 0.00 0.00 0.00 41 E 7.74 4.00 0.00 2.07 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.38 2.45 0.00 42 K 8.03 4.44 0.00 1.97 1.72 0.00 1.76 0.00 0.00 1.76 0.00 0.00 3.18 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.74 1.94 7.81 43 F 8.23 4.64 0.00 3.15 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 44 D 8.59 4.36 0.00 2.65 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 R 7.89 3.55 0.00 1.49 1.28 0.00 2.96 0.00 0.00 2.86 7.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.25 0.00 46 F 8.12 5.06 0.00 2.85 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 47 K 7.64 4.14 0.00 1.88 2.22 0.00 1.62 0.00 0.00 1.78 0.00 0.00 3.27 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.72 1.40 7.81 48 H 8.10 4.37 0.00 3.30 3.48 0.00 5.52 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 49 L 7.75 4.37 0.00 1.61 1.58 0.87 0.97 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 50 K 9.37 4.51 0.00 1.67 1.81 0.00 1.66 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.53 1.48 7.81 51 T 7.45 4.75 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 1.21 0.00 0.00 52 E 8.69 3.91 0.00 2.04 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 2.35 2.36 0.00 53 A 7.96 3.98 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 54 E 8.13 3.93 0.00 2.12 2.03 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 2.36 2.35 0.00 55 M 8.13 4.16 0.00 2.06 2.26 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.59 0.00 56 K 8.21 4.01 0.00 1.89 1.85 0.00 1.67 0.00 0.00 1.68 0.00 0.00 3.04 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.53 7.81 57 A 7.62 4.46 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 58 S 7.48 4.35 0.00 3.94 3.87 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 59 E 8.82 4.03 0.00 2.14 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 2.40 2.45 0.00 60 D 8.15 4.41 0.00 2.91 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 61 L 8.09 3.40 0.00 1.35 1.61 -0.25 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 0.00 0.00 0.00 0.00 62 K 7.93 3.86 0.00 1.87 1.96 0.00 1.68 0.00 0.00 1.79 0.00 0.00 2.93 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.43 1.46 7.81 63 K 8.36 3.97 0.00 2.13 1.94 0.00 1.77 0.00 0.00 1.64 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.63 7.81 64 H 8.72 4.42 0.00 3.72 3.52 0.00 5.79 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 65 G 8.41 3.62 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 0.00 0.00 0.00 66 V 7.76 3.62 2.28 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 1.14 0.00 0.00 0.99 0.00 0.00 67 T 7.98 3.88 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 1.27 0.00 0.00 68 V 7.94 3.59 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 1.10 0.00 0.00 1.00 0.00 0.00 69 L 8.18 4.24 0.00 1.82 1.92 0.91 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 70 T 8.41 3.97 4.46 0.00 0.00 0.00 0.00 0.00 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 71 A 8.04 4.01 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 72 L 8.24 3.78 0.00 1.59 1.55 0.20 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.00 0.00 0.00 0.00 73 G 8.50 3.26 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 74 A 7.72 4.00 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 75 I 7.59 3.80 1.93 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 1.56 0.99 0.98 0.00 0.00 76 L 7.92 3.97 0.00 1.18 1.57 -0.12 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 77 K 7.80 3.98 0.00 1.65 1.80 0.00 1.70 0.00 0.00 1.72 0.00 0.00 3.16 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.47 1.50 7.81 78 K 7.80 3.97 0.00 1.84 1.82 0.00 1.77 0.00 0.00 1.57 0.00 0.00 2.90 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.60 1.77 7.81 79 K 8.31 2.00 0.00 1.21 0.74 0.00 1.50 0.00 0.00 1.42 0.00 0.00 2.66 0.00 0.00 3.00 0.00 0.00 0.00 0.00 0.31 0.71 7.81 80 G 7.79 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 81 H 7.42 4.57 0.00 3.15 3.24 0.00 5.80 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 82 H 7.30 5.34 0.00 3.27 3.43 0.00 5.65 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 83 E 8.57 3.92 0.00 2.12 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 2.46 0.00 84 A 7.94 4.04 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 85 E 8.10 4.14 0.00 2.25 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 0.00 2.40 2.46 0.00 86 L 8.23 4.13 0.00 1.82 1.65 0.91 0.40 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 87 K 8.04 3.77 0.00 1.98 1.83 0.00 1.64 0.00 0.00 1.70 0.00 0.00 2.98 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.45 1.65 7.81 88 P 0.00 4.39 0.00 2.32 2.30 0.00 3.77 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 2.09 2.03 0.00 89 L 7.55 3.97 0.00 1.82 1.87 0.96 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 90 A 8.47 4.12 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 91 Q 8.21 3.79 0.00 2.21 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.76 0.00 0.00 0.00 0.00 0.00 2.33 2.55 0.00 92 S 8.33 4.00 0.00 3.87 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 93 H 8.76 4.20 0.00 3.46 3.56 0.00 5.81 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 A 7.99 2.94 -0.12 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 T 7.16 3.76 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 0.81 0.00 0.00 96 K 7.41 4.19 0.00 1.54 1.63 0.00 1.65 0.00 0.00 1.62 0.00 0.00 3.00 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.21 1.34 7.81 97 H 8.03 4.31 0.00 3.00 3.13 0.00 5.85 0.00 0.00 0.00 0.00 7.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 K 6.96 3.77 0.00 1.90 1.87 0.00 1.75 0.00 0.00 1.87 0.00 0.00 3.05 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.51 1.53 7.81 99 I 7.86 4.24 2.02 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 1.32 0.93 1.08 0.00 0.00 100 P 0.00 4.44 0.00 1.67 1.77 0.00 2.29 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 1.16 1.80 0.00 101 I 8.48 3.40 1.71 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.83 0.71 0.00 0.00 102 K 7.89 3.68 0.00 1.75 1.70 0.00 1.53 0.00 0.00 1.74 0.00 0.00 3.19 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.41 0.69 7.81 103 Y 7.99 4.10 0.00 3.10 3.04 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 0.00 104 L 7.95 4.19 0.00 1.82 1.81 0.63 0.69 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 0.00 105 E 7.89 3.97 0.00 1.95 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 2.44 2.43 0.00 106 F 7.84 4.48 0.00 3.24 2.84 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 0.00 107 I 8.19 3.90 2.02 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 1.10 0.00 0.00 108 S 8.30 4.18 0.00 4.18 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 E 8.57 4.06 0.00 2.29 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 0.00 2.66 2.62 0.00 110 A 8.15 4.02 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 0.00 111 I 8.11 3.67 2.09 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 1.60 0.72 1.05 0.00 0.00 112 I 7.99 3.84 2.14 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.06 1.18 0.00 0.00 113 H 8.49 4.15 0.00 3.34 3.48 0.00 5.59 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 0.00 114 V 8.04 3.57 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 0.95 0.00 0.00 0.94 0.00 0.00 115 L 7.99 3.76 0.00 0.96 0.49 0.81 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 116 H 7.96 4.39 0.00 3.57 3.57 0.00 5.96 0.00 0.00 0.00 0.00 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 S 7.93 4.17 0.00 3.94 3.83 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 0.00 118 R 7.76 4.07 0.00 1.45 1.47 0.00 2.68 0.00 0.00 2.64 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.44 0.00 119 H 8.11 5.02 0.00 3.18 3.17 0.00 5.62 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 0.00 120 P 0.00 4.29 0.00 2.19 2.22 0.00 3.65 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 2.06 1.92 0.00 121 G 8.14 3.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 D 8.08 5.03 0.00 2.76 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 0.00 123 F 8.05 4.96 0.00 3.02 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 0.00 124 G 7.92 3.87 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 0.00 0.00 0.00 125 A 8.39 3.94 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 0.00 126 D 7.98 4.19 0.00 2.86 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 0.00 127 A 7.76 3.97 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 0.00 128 Q 7.94 3.16 0.00 1.93 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.76 0.00 0.00 0.00 0.00 0.00 1.77 1.62 0.00 129 G 8.27 3.47 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 0.00 130 A 8.00 3.86 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 0.00 131 M 8.37 4.00 0.00 2.52 2.48 0.00 0.00 0.00 0.00 0.00 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.77 2.88 0.00 132 N 8.49 4.29 0.00 2.86 2.96 0.00 0.00 7.18 7.23 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 0.00 133 K 8.14 3.89 0.00 1.83 1.66 0.00 1.65 0.00 0.00 1.51 0.00 0.00 2.90 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.38 1.53 7.81 134 A 8.06 3.82 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 0.00 135 L 8.27 4.07 0.00 1.73 1.77 0.97 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 136 E 8.58 3.97 0.00 2.19 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 2.35 2.54 0.00 137 L 8.17 3.97 0.00 1.87 1.98 0.99 1.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 0.00 0.00 0.00 0.00 0.00 0.00 138 F 8.37 4.14 0.00 3.01 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 139 R 8.36 3.62 0.00 2.04 1.88 0.00 3.14 0.00 0.00 3.25 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.98 0.00 140 K 8.56 3.86 0.00 1.79 2.01 0.00 1.63 0.00 0.00 1.66 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.42 1.47 7.81 141 D 8.28 4.39 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 0.00 142 I 7.65 3.54 1.35 0.00 0.00 -0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.07 0.23 0.42 0.00 0.00 143 A 8.14 3.69 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 0.00 144 A 8.03 4.00 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 0.00 145 K 7.87 4.01 0.00 2.02 1.91 0.00 1.66 0.00 0.00 1.65 0.00 0.00 2.94 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.47 1.61 7.81 146 Y 8.53 4.10 0.00 3.06 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 0.00 147 K 8.60 3.98 0.00 1.91 1.99 0.00 1.67 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.47 7.81 148 E 7.98 3.93 0.00 2.04 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 0.00 2.36 2.40 0.00 149 L 7.79 4.41 0.00 1.97 1.96 0.81 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 150 G 8.16 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 151 Y 8.20 4.59 0.00 2.65 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 0.00 152 Q 8.26 4.12 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.72 0.00 0.00 0.00 0.00 0.00 2.36 2.36 0.00 153 G 8.15 4.08 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 0.00