NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 18 E 4.2734 8.4449 120.2161 55.9251 31.7496 175.9925 19 L 4.2032 7.6238 118.7603 51.9278 42.4644 175.7988 20 S 4.3682 8.9560 119.1992 57.7588 66.0625 174.7620 21 E 3.8313 8.6270 121.7411 59.5116 29.3467 178.6051 22 A 4.0123 7.9038 120.1987 55.0688 18.4596 179.2649 23 E 3.9181 7.8702 116.4618 59.0247 29.4879 179.1835 24 R 3.7160 8.0956 119.1084 59.5524 30.1351 178.8306 25 K 3.9290 8.0992 117.8733 59.1058 31.9416 179.1629 26 A 3.9666 7.7532 120.6693 55.2406 18.2827 179.8456 27 V 3.2533 7.4970 116.5101 66.2855 31.5410 178.3087 28 Q 4.1084 8.2957 117.7115 58.8369 28.3894 178.6669 29 A 4.1053 8.2691 122.0732 55.1825 18.4118 179.7200 30 M 3.8405 8.0472 116.9108 58.3374 32.2250 178.4069 31 W 4.6522 8.9446 128.7737 60.9513 30.6390 177.7777 32 A 4.0486 8.3289 120.3406 55.2943 17.6198 179.8223 33 R 3.9721 7.7839 115.2726 59.3182 30.4385 179.0073 34 L 4.0729 8.2079 118.8006 58.0592 41.4583 179.0376 35 Y 3.7826 7.9628 117.7873 60.0189 38.6741 177.2245 36 A 4.0877 7.6341 121.1045 53.9108 18.8807 177.3934 37 N 4.8638 7.7839 115.4735 52.4237 39.7986 177.0242 38 S 3.8325 8.0197 114.0911 61.5213 62.4344 174.4705 39 E 3.8292 7.8232 121.0527 59.4075 29.5891 178.2009 40 D 4.2830 7.9130 118.4022 57.3216 40.9897 178.9094 41 V 3.6095 7.9207 118.7879 65.9450 31.5880 178.2312 42 G 3.6518 8.0373 105.4847 47.8882 0.0000 175.7999 43 V 3.5814 7.7888 120.4518 65.6525 31.6145 178.0013 44 A 3.9566 8.1146 120.5277 55.1111 18.0976 179.7707 45 I 3.7203 7.7226 118.3606 64.4758 37.1560 178.6274 46 L 3.8754 7.9500 119.9394 57.5406 41.3649 179.7884 47 V 3.6433 8.1049 118.5283 65.9925 31.5628 177.8704 48 R 3.8904 7.8737 118.3748 59.4763 29.8706 178.0947 49 F 4.4301 8.3393 120.2271 61.6778 38.9123 177.2000 50 F 4.3310 8.2851 117.6010 60.0920 38.4597 178.1727 51 V 3.6143 8.0676 117.8623 66.1847 31.5748 177.5995 52 N 4.3685 7.9256 113.5509 53.9805 40.0633 175.6465 53 F 4.7558 7.7917 118.9097 53.7903 39.7600 173.2869 54 P 4.5323 0.0000 0.0000 64.7398 31.5367 177.8051 55 S 4.1560 8.3916 112.5102 61.6988 62.4045 176.3235 56 A 3.7348 7.8683 122.5544 54.0648 18.3747 179.0965 57 K 4.0069 8.2038 116.9609 58.1830 31.8902 178.9629 58 Q 3.8203 7.4090 116.7871 58.8342 28.3689 177.1384 59 Y 4.2667 7.4788 113.7045 58.3586 38.6431 175.4611 60 F 4.4089 7.6516 120.2398 54.6115 39.0457 175.5805 61 S 4.0806 8.4696 120.4695 61.2100 62.7070 176.5252 62 Q 4.2132 8.4754 118.8224 56.6628 28.9933 174.8162 63 F 5.0667 7.0088 111.2747 53.8865 40.5711 172.9493 64 K 4.0161 8.6822 121.9514 57.3348 29.4380 176.5622 65 H 4.9542 7.9654 114.4053 55.5330 29.4453 172.9992 66 M 4.5175 8.2042 119.2511 54.1723 33.2744 174.8188 67 E 4.3866 8.6847 125.1607 57.7852 31.5111 176.7131 68 D 4.4135 7.8873 118.8156 53.5354 42.2966 174.8663 69 P 4.2750 0.0000 0.0000 65.7423 31.1968 178.6413 70 L 4.0200 7.7642 116.8332 57.5458 41.6182 178.8327 71 E 4.0588 8.0777 119.0424 59.4214 29.7744 178.4179 72 M 3.9030 8.0266 119.0969 58.3439 31.7887 178.5127 73 E 4.0334 7.8972 116.1660 58.6730 29.9803 178.3762 74 R 4.4163 7.4121 116.8170 55.3437 30.6423 176.1104 75 S 4.3499 7.4151 115.6430 56.6156 62.5489 172.4491 76 P 4.2401 0.0000 0.0000 66.4083 30.7901 178.0637 77 Q 4.0684 8.1394 118.6601 58.6272 29.0395 177.7761 78 L 3.7146 7.6111 121.4409 58.2853 42.1380 179.1494 79 R 3.9058 8.2037 118.3072 59.0101 29.8846 178.8506 80 K 3.9452 8.4585 119.7769 60.0038 32.2085 178.2479 81 H 4.3519 8.4159 117.9487 59.2043 29.7117 177.0233 82 A 3.9818 8.2793 122.6085 55.4105 18.2355 179.6985 83 S 4.1324 8.1902 113.5820 62.0088 63.0201 177.2174 84 R 4.1152 8.2755 120.4382 58.6220 29.8624 179.2475 85 V 3.7022 8.1547 118.7503 66.2092 31.5871 178.0027 86 M 4.5981 8.5112 118.7262 58.4004 31.7432 178.9148 87 G 3.7266 8.6856 105.9557 47.6549 0.0000 175.2408 88 A 4.0273 8.0143 123.8836 55.0024 18.4394 179.7707 89 L 3.9359 8.1874 116.5069 57.2085 41.7804 179.1168 90 N 4.2147 8.3789 117.8640 56.5897 38.6068 176.8184 91 T 3.9892 7.5920 110.4534 64.0010 69.3412 176.9050 92 V 3.5612 7.5049 121.3693 65.9218 31.3612 178.0745 93 V 3.2236 7.0669 116.4467 65.9117 31.3468 177.3404 94 E 4.0832 7.7825 117.4665 58.2765 29.5001 176.9637 95 N 4.9401 7.6419 115.4025 52.7988 39.0839 176.6922 96 L 3.8679 7.9172 121.1995 57.8564 41.7218 177.9343 97 H 4.4010 8.2052 111.6555 56.4423 28.9502 175.0248 98 D 4.6411 7.8319 121.3678 50.7598 41.4224 173.7345 99 P 4.1925 0.0000 0.0000 65.6179 31.1629 177.7049 100 D 4.3339 8.1326 118.2933 57.0594 40.6445 178.9706 101 K 3.8751 7.8086 118.8702 59.6510 32.2723 179.0152 102 V 3.5334 7.5449 112.6634 64.7079 31.4460 178.5152 103 S 4.0250 8.0541 112.5537 61.4414 62.1288 176.2374 104 S 4.0716 7.7462 115.8557 61.1555 62.2775 176.1563 105 V 3.5586 7.9786 121.2155 66.0664 31.2722 177.9313 106 L 4.0945 7.8170 117.8378 57.0107 41.4626 179.3062 107 A 3.8927 7.7609 120.6431 55.0389 18.3589 179.5146 108 L 3.8805 8.1218 117.9082 58.0171 41.7129 179.8369 109 V 3.7562 7.7417 117.9158 66.1570 31.3635 178.3767 110 G 3.4737 8.0854 105.2834 47.4558 0.0000 175.7816 111 K 3.7230 8.2772 121.1282 59.2705 32.0328 179.2834 112 A 3.9243 7.9307 120.8249 55.5190 18.2868 179.4717 113 H 4.1191 8.4352 114.6061 58.6342 28.6431 178.0294 114 A 3.5707 7.7434 122.6938 54.9623 17.9342 179.6195 115 L 4.0547 7.8219 116.0810 57.2025 42.0855 178.7487 116 K 4.1405 7.8445 117.0182 59.2560 32.4078 178.1068 117 H 4.4486 7.8554 112.9208 55.8309 29.1775 175.3603 118 K 4.5049 7.9051 116.5657 56.5584 29.2952 175.3293 119 V 3.5172 7.7666 118.1152 61.1151 32.5774 175.3044 120 E 4.1651 9.3035 127.7431 55.9375 30.0263 176.4200 121 P 3.9330 0.0000 0.0000 65.6126 31.0437 178.8421 122 V 3.7051 7.7908 118.4859 65.0436 30.9254 177.7428 123 Y 4.2929 7.9056 117.1834 60.8022 37.5424 178.6078 124 F 3.9347 8.5221 119.0856 60.2632 39.0720 177.3248 125 K 3.4894 8.1932 118.7516 59.5501 31.9769 178.6968 126 I 3.5081 7.5625 119.8543 64.2457 36.9913 178.2314 127 L 3.4398 7.8936 121.2463 58.0220 41.7745 179.1666 128 S 4.2365 8.2696 115.4510 61.4703 62.6214 176.9145 129 G 3.6270 7.8374 108.1026 47.5312 0.0000 176.1078 130 V 3.6744 7.6761 120.3238 65.8003 31.4608 178.3080 131 I 3.6894 7.9049 119.7225 64.2668 36.9800 178.0972 132 L 3.8645 7.9789 121.2017 58.0174 41.9137 178.7066 133 E 3.8333 8.4303 119.4551 59.3108 29.6431 178.9646 134 V 3.5034 8.0247 118.6830 65.8659 31.4102 178.0745 135 V 3.4168 7.9879 118.1755 65.9352 31.0567 177.9022 136 A 2.7229 7.3173 119.2537 54.7526 18.1766 179.1886 137 E 3.9470 7.7115 116.3359 59.4316 29.5680 179.0389 138 E 3.8647 7.8694 117.9874 58.0091 29.4834 177.5191 139 F 4.8250 7.7535 117.7295 56.3008 40.0350 177.2217 140 A 4.0223 8.3455 125.2814 55.6277 18.5046 180.0121 141 S 4.2783 8.2172 110.5491 61.2600 62.9487 174.1416 142 D 4.7650 7.8772 119.0346 52.2829 41.4125 173.6384 143 F 4.9710 8.2393 126.1062 54.5619 39.7066 172.8595 144 P 4.5811 0.0000 0.0000 60.9311 34.0851 175.2109 145 P 4.1426 0.0000 0.0000 66.2731 31.1786 178.7058 146 E 3.9717 8.0457 116.4900 59.6400 29.4550 179.3637 147 T 3.9551 7.6921 115.3579 66.3808 68.5240 176.8442 148 Q 3.6349 7.8387 120.2167 58.7072 28.5735 178.7879 149 R 3.8392 7.9150 119.3893 59.1826 30.1401 178.2866 150 A 3.8850 7.7267 120.2422 55.0867 18.3113 179.6439 151 W 3.8346 8.2095 117.0668 59.9173 29.2010 178.7312 152 A 4.0983 8.4527 120.9219 54.9168 17.7444 179.9266 153 K 3.9415 8.3528 117.6499 59.2605 32.0499 179.2900 154 L 3.7774 7.7525 120.5746 58.0851 42.0415 178.6177 155 R 4.0210 8.2340 118.9901 59.8056 29.8089 178.3982 156 G 3.7293 8.1464 105.0668 47.8212 0.0000 175.3678 157 L 3.8699 7.9549 122.4688 57.8078 42.0545 178.8690 158 I 3.6173 7.8979 119.9761 64.7045 37.1071 177.6508 159 Y 4.1162 8.0602 120.3316 60.8894 38.6518 178.4440 160 S 4.1394 7.9761 114.9305 61.3537 63.2420 176.2916 161 H 4.1756 8.0533 119.7784 58.6683 28.4749 177.8541 162 V 3.3625 7.7392 120.1001 66.2047 31.2988 178.0548 163 T 3.4783 7.7458 115.5929 66.6120 68.2617 176.4574 164 A 3.9823 8.0257 122.2303 54.7865 18.1617 179.6402 165 A 3.8491 7.8763 119.4208 55.5669 18.5450 179.3014 166 Y 3.7799 8.1073 115.3087 61.2474 38.0620 179.0561 167 K 4.1513 8.2724 120.1312 58.9781 32.0200 178.6071 168 E 4.0390 7.8832 119.3311 58.8042 29.6155 178.1407 169 V 4.2146 7.3343 109.6541 60.4403 32.3718 175.8787 170 G 3.7353 7.7688 104.7741 46.3545 0.0000 174.1277 171 W 4.2350 8.2153 133.2830 57.3582 30.6509 175.2552 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 18 E 8.44 4.27 0.00 1.91 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 2.17 2.24 0.00 19 L 7.62 4.20 0.00 1.60 1.50 0.83 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 20 S 8.96 4.37 0.00 4.03 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 21 E 8.63 3.83 0.00 2.03 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 2.35 2.35 0.00 22 A 7.90 4.01 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 23 E 7.87 3.92 0.00 2.11 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 2.26 2.25 0.00 24 R 8.10 3.72 0.00 2.00 1.94 0.00 3.05 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.60 0.00 25 K 8.10 3.93 0.00 1.83 1.82 0.00 1.71 0.00 0.00 1.64 0.00 0.00 2.94 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.43 1.56 7.81 26 A 7.75 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 27 V 7.50 3.25 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 0.37 0.00 0.00 0.17 0.00 0.00 28 Q 8.30 4.11 0.00 2.29 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.34 2.41 0.00 29 A 8.27 4.11 1.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 M 8.05 3.84 0.00 2.00 2.60 0.00 0.00 0.00 0.00 0.00 0.27 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.82 2.17 0.00 31 W 8.94 4.65 0.00 3.59 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 32 A 8.33 4.05 1.52 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 0.00 0.00 33 R 7.78 3.97 0.00 2.26 2.27 0.00 3.52 0.00 0.00 3.52 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 1.79 0.00 34 L 8.21 4.07 0.00 1.87 1.30 1.07 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 35 Y 7.96 3.78 0.00 2.17 2.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 A 7.63 4.09 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 37 N 7.78 4.86 0.00 2.73 2.68 0.00 0.00 6.49 7.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 S 8.02 3.83 0.00 3.35 3.48 0.00 0.00 0.00 0.00 0.00 0.00 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 E 7.82 3.83 0.00 1.99 1.84 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 2.33 2.36 0.00 40 D 7.91 4.28 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 41 V 7.92 3.61 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 0.97 0.00 0.00 0.87 0.00 0.00 42 G 8.04 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 V 7.79 3.58 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 1.05 0.00 0.00 0.92 0.00 0.00 44 A 8.11 3.96 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 45 I 7.72 3.72 2.01 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 1.51 0.66 0.86 0.00 0.00 46 L 7.95 3.88 0.00 1.90 1.80 0.80 0.89 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 47 V 8.10 3.64 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 1.05 0.00 0.00 0.92 0.00 0.00 48 R 7.87 3.89 0.00 2.14 2.14 0.00 3.20 0.00 0.00 3.09 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.74 0.00 49 F 8.34 4.43 0.00 3.02 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 50 F 8.29 4.33 0.00 3.14 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 51 V 8.07 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 0.80 0.00 0.00 0.99 0.00 0.00 52 N 7.93 4.37 0.00 2.55 2.20 0.00 0.00 6.90 6.81 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 53 F 7.79 4.76 0.00 2.80 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 54 P 0.00 4.53 0.00 2.17 2.13 0.00 3.87 0.00 0.00 3.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.99 0.00 55 S 8.39 4.16 0.00 4.24 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 7.87 3.73 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 57 K 8.20 4.01 0.00 1.81 1.63 0.00 1.74 0.00 0.00 1.79 0.00 0.00 3.20 0.00 0.00 3.20 0.00 0.00 0.00 0.00 1.30 1.68 7.81 58 Q 7.41 3.82 0.00 1.88 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 1.25 1.16 0.00 59 Y 7.48 4.27 0.00 2.54 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 60 F 7.65 4.41 0.00 1.89 1.63 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 61 S 8.47 4.08 0.00 3.93 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 62 Q 8.48 4.21 0.00 2.25 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.65 0.00 0.00 0.00 0.00 0.00 2.55 2.51 0.00 63 F 7.01 5.07 0.00 3.12 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 64 K 8.68 4.02 0.00 1.76 1.94 0.00 1.53 0.00 0.00 1.50 0.00 0.00 2.78 0.00 0.00 2.58 0.00 0.00 0.00 0.00 0.85 1.15 7.81 65 H 7.97 4.95 0.00 3.14 3.23 0.00 5.75 0.00 0.00 0.00 0.00 7.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 M 8.20 4.52 0.00 2.04 2.04 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 2.52 2.54 0.00 67 E 8.68 4.39 0.00 1.99 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 2.24 2.28 0.00 68 D 7.89 4.41 0.00 2.74 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 69 P 0.00 4.27 0.00 2.18 2.08 0.00 3.64 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.17 0.00 70 L 7.76 4.02 0.00 1.69 1.71 0.90 1.34 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 71 E 8.08 4.06 0.00 2.02 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 2.36 2.39 0.00 72 M 8.03 3.90 0.00 2.00 2.23 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 2.76 2.45 0.00 73 E 7.90 4.03 0.00 2.12 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 0.00 2.44 2.31 0.00 74 R 7.41 4.42 0.00 1.72 1.98 0.00 3.14 0.00 0.00 3.13 7.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.74 0.00 75 S 7.42 4.35 0.00 3.80 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 76 P 0.00 4.24 0.00 2.34 2.33 0.00 3.77 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 2.12 2.06 0.00 77 Q 8.14 4.07 0.00 2.31 2.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.95 0.00 0.00 0.00 0.00 0.00 2.91 2.67 0.00 78 L 7.61 3.71 0.00 0.56 1.48 0.50 0.95 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 79 R 8.20 3.91 0.00 2.00 1.97 0.00 3.16 0.00 0.00 3.08 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.78 0.00 80 K 8.46 3.95 0.00 2.03 2.11 0.00 1.71 0.00 0.00 1.65 0.00 0.00 3.00 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.55 1.53 7.81 81 H 8.42 4.35 0.00 3.56 3.43 0.00 5.66 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 82 A 8.28 3.98 1.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 83 S 8.19 4.13 0.00 4.16 4.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 8.28 4.12 0.00 2.14 2.11 0.00 3.23 0.00 0.00 3.19 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.72 0.00 85 V 8.15 3.70 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 1.06 0.00 0.00 0.81 0.00 0.00 86 M 8.51 4.60 0.00 2.40 2.45 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.86 2.95 0.00 87 G 8.69 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 0.00 0.00 0.00 88 A 8.01 4.03 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 89 L 8.19 3.94 0.00 1.98 1.38 0.91 0.58 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 90 N 8.38 4.21 0.00 2.94 2.95 0.00 0.00 6.80 6.81 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 91 T 7.59 3.99 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 1.30 0.00 0.00 92 V 7.50 3.56 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 0.79 0.00 0.00 0.87 0.00 0.00 93 V 7.07 3.22 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 0.63 0.00 0.00 -0.11 0.00 0.00 94 E 7.78 4.08 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 2.32 2.35 0.00 95 N 7.64 4.94 0.00 2.90 2.65 0.00 0.00 6.88 6.76 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 96 L 7.92 3.87 0.00 1.55 1.63 0.74 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 97 H 8.21 4.40 0.00 3.25 3.37 0.00 5.47 0.00 0.00 0.00 0.00 6.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 98 D 7.83 4.64 0.00 2.34 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 0.00 0.00 0.00 0.00 99 P 0.00 4.19 0.00 2.27 2.27 0.00 3.72 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 2.04 2.03 0.00 100 D 8.13 4.33 0.00 2.89 2.75 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 0.00 101 K 7.81 3.88 0.00 1.95 1.85 0.00 1.51 0.00 0.00 1.62 0.00 0.00 3.04 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.38 1.47 7.81 102 V 7.54 3.53 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 0.99 0.00 0.00 103 S 8.05 4.02 0.00 3.86 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 0.00 104 S 7.75 4.07 0.00 3.84 3.90 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 0.00 105 V 7.98 3.56 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 0.96 0.00 0.00 0.93 0.00 0.00 106 L 7.82 4.09 0.00 1.70 1.65 0.91 1.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 107 A 7.76 3.89 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 0.00 108 L 8.12 3.88 0.00 1.86 1.74 0.90 0.85 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 0.00 109 V 7.74 3.76 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 1.07 0.00 0.00 1.02 0.00 0.00 110 G 8.09 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 0.00 111 K 8.28 3.72 0.00 1.96 1.81 0.00 1.62 0.00 0.00 1.60 0.00 0.00 2.90 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.38 1.39 7.81 112 A 7.93 3.92 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 0.00 113 H 8.44 4.12 0.00 3.63 3.74 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 0.00 114 A 7.74 3.57 0.39 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 0.00 115 L 7.82 4.05 0.00 1.65 1.71 0.88 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 116 K 7.84 4.14 0.00 1.73 1.58 0.00 1.53 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.36 1.39 7.81 117 H 7.86 4.45 0.00 3.10 3.09 0.00 5.85 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 0.00 118 K 7.91 4.50 0.00 2.08 2.16 0.00 1.87 0.00 0.00 0.61 0.00 0.00 2.99 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.48 1.60 7.81 119 V 7.77 3.52 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 0.63 0.00 0.00 0.26 0.00 0.00 120 E 9.30 4.17 0.00 2.68 2.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.79 2.81 0.00 121 P 0.00 3.93 0.00 1.69 0.51 0.00 3.51 0.00 0.00 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.22 0.00 122 V 7.79 3.71 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 0.48 0.00 0.00 0.80 0.00 0.00 123 Y 7.91 4.29 0.00 3.29 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 0.00 124 F 8.52 3.93 0.00 3.37 3.23 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 0.00 125 K 8.19 3.49 0.00 0.79 1.74 0.00 1.47 0.00 0.00 1.63 0.00 0.00 2.67 0.00 0.00 2.56 0.00 0.00 0.00 0.00 1.24 1.06 7.81 126 I 7.56 3.51 1.99 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 0.94 -0.20 0.00 0.00 127 L 7.89 3.44 0.00 0.67 1.38 0.15 0.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 0.00 0.00 0.00 0.00 128 S 8.27 4.24 0.00 4.11 3.90 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 0.00 129 G 7.84 3.63 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 0.00 130 V 7.68 3.67 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 1.25 0.00 0.00 1.30 0.00 0.00 131 I 7.90 3.69 2.05 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 0.59 1.04 0.00 0.00 132 L 7.98 3.86 0.00 1.96 1.69 1.01 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.80 0.00 0.00 0.00 0.00 0.00 0.00 133 E 8.43 3.83 0.00 2.19 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 2.31 2.34 0.00 134 V 8.02 3.50 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 0.87 0.00 0.00 0.96 0.00 0.00 135 V 7.99 3.42 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 0.09 0.00 0.00 0.65 0.00 0.00 136 A 7.32 2.72 1.10 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 0.00 137 E 7.71 3.95 0.00 1.99 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 2.27 2.51 0.00 138 E 7.87 3.86 0.00 1.84 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 2.40 2.32 0.00 139 F 7.75 4.83 0.00 2.92 3.23 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 0.00 140 A 8.35 4.02 1.25 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 0.00 0.00 141 S 8.22 4.28 0.00 3.93 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 0.00 142 D 7.88 4.76 0.00 2.69 2.66 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 0.00 0.00 0.00 0.00 143 F 8.24 4.97 0.00 3.15 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 0.00 144 P 0.00 4.58 0.00 2.28 2.16 0.00 3.74 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.05 0.00 145 P 0.00 4.14 0.00 2.15 2.16 0.00 3.58 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 0.00 146 E 8.05 3.97 0.00 1.97 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 2.37 2.37 0.00 147 T 7.69 3.96 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 148 Q 7.84 3.63 0.00 2.10 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.13 6.81 0.00 0.00 0.00 0.00 0.00 2.03 1.89 0.00 149 R 7.92 3.84 0.00 1.99 2.01 0.00 3.09 0.00 0.00 3.15 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.63 0.00 150 A 7.73 3.89 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 0.00 151 W 8.21 3.83 0.00 3.69 3.41 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 0.00 152 A 8.45 4.10 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 0.00 153 K 8.35 3.94 0.00 2.01 1.79 0.00 1.61 0.00 0.00 1.53 0.00 0.00 2.86 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.43 1.41 7.81 154 L 7.75 3.78 0.00 1.50 1.64 0.71 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.32 0.00 0.00 0.00 0.00 0.00 0.00 155 R 8.23 4.02 0.00 2.08 2.16 0.00 3.32 0.00 0.00 3.17 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.87 0.00 156 G 8.15 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 0.00 0.00 0.00 157 L 7.95 3.87 0.00 1.85 1.77 0.73 0.74 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 0.00 158 I 7.90 3.62 2.07 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 1.36 0.49 0.97 0.00 0.00 159 Y 8.06 4.12 0.00 2.96 2.97 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 0.00 160 S 7.98 4.14 0.00 4.01 4.20 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 0.00 161 H 8.05 4.18 0.00 3.46 3.30 0.00 5.82 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 0.00 162 V 7.74 3.36 1.61 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 0.05 0.00 0.00 0.63 0.00 0.00 163 T 7.75 3.48 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 0.95 0.00 0.00 164 A 8.03 3.98 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 0.00 165 A 7.88 3.85 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 0.00 166 Y 8.11 3.78 0.00 2.94 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 0.00 167 K 8.27 4.15 0.00 2.03 1.94 0.00 1.59 0.00 0.00 1.61 0.00 0.00 3.03 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.45 1.52 7.81 168 E 7.88 4.04 0.00 2.11 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 2.30 2.33 0.00 169 V 7.33 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 0.80 0.00 0.00 0.98 0.00 0.00 170 G 7.77 3.74 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 0.00 0.00 0.00 171 W 8.22 4.23 0.00 3.54 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