NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 3 S 4.3988 8.1927 115.2905 57.8626 62.8127 173.8934 4 K 3.8548 8.3888 130.7988 57.2951 32.5710 177.4454 5 R 3.9425 8.7154 115.7664 58.1552 30.5115 176.6931 6 N 4.7875 7.8287 115.1862 53.2108 38.8503 174.5828 7 K 4.9058 7.5841 118.2030 53.5510 34.6976 174.5313 8 P 5.1468 0.0000 0.0000 63.4082 32.2340 175.3032 9 G 3.9508 7.7214 106.4731 45.8780 0.0000 171.2162 10 K 5.0687 8.3415 120.4532 54.0728 34.5345 175.7091 11 A 4.6801 9.0021 129.9407 52.3916 19.4383 176.4120 12 T 4.8320 9.0406 111.3630 60.1239 73.0067 172.9510 13 G 4.0497 8.8655 108.1168 44.7341 0.0000 173.8830 14 K 4.1267 9.5941 118.5107 55.9980 33.2650 178.7133 15 G 4.0282 8.8047 107.0113 44.7862 0.0000 172.4755 16 K 4.6262 8.1516 116.5866 53.6817 36.3033 174.0945 17 P 4.8617 0.0000 0.0000 62.5996 31.6357 176.0706 18 V 4.6492 8.0748 114.5825 59.5042 36.5637 175.8384 19 G 4.2735 8.1610 110.0103 45.1501 0.0000 174.2668 20 D 4.4134 9.1210 122.8571 58.0339 41.1201 179.7418 21 K 4.6876 7.8361 118.9374 53.8730 32.7734 180.6683 22 W 4.5978 8.3142 120.5806 61.0622 27.7455 177.3103 23 L 3.3258 6.9375 118.5306 56.6304 40.7596 178.9075 24 D 4.4256 8.2642 119.8224 57.2988 40.8461 177.9994 25 D 4.5276 7.9878 118.3755 56.2037 40.7938 178.1674 26 A 4.5222 8.0524 121.9895 54.2265 18.1826 178.7161 27 G 3.9780 7.6460 102.3733 44.1889 0.0000 173.3064 28 K 4.7857 7.1454 119.6904 54.8356 36.9210 178.0887 29 D 4.0813 8.1657 120.3567 56.5135 39.4810 174.9814 30 S 4.5515 9.0176 123.5103 59.1284 62.7968 174.5239 31 G 3.8327 8.2073 109.1072 44.4111 0.0000 172.9773 32 A 4.7783 8.6472 120.1387 50.3166 20.6962 175.9906 33 P 4.8664 0.0000 0.0000 61.9562 33.4632 175.7184 34 I 3.9393 8.1765 120.7520 60.2785 38.1544 174.5649 35 P 4.5646 0.0000 0.0000 62.4213 31.9008 176.9786 36 D 4.7193 8.4868 123.8238 56.3470 38.9606 179.5142 37 R 4.1457 7.7353 118.5824 58.6240 30.0765 178.9463 38 I 3.6470 7.3504 119.2734 64.0774 37.2299 177.8116 39 A 4.0383 7.9668 121.6100 55.4442 17.9543 179.2943 40 D 4.2978 8.1781 116.5749 57.5987 40.9345 178.9680 41 K 4.1606 7.6677 117.7529 58.5019 32.4887 178.5068 42 L 4.6054 7.8844 117.9378 54.1781 42.3460 176.6964 43 R 4.3306 7.6331 119.9736 57.9311 30.3102 176.2800 44 D 4.6683 9.3261 123.7017 54.4295 39.6617 174.1994 45 K 4.2856 7.9566 119.5050 55.5450 33.7946 175.3707 46 E 4.7794 8.2223 124.1701 55.0848 31.0001 175.1077 47 F 5.0749 8.6772 124.8767 55.4482 42.3181 176.5629 48 K 4.1811 9.4593 120.7859 59.1197 33.3113 177.1533 49 S 5.1232 7.6586 114.5797 57.4904 66.4937 175.7396 50 F 4.3065 9.2560 124.0661 61.3375 38.9711 176.5847 51 D 4.4425 8.2500 117.5492 57.1297 41.1348 177.5068 52 D 4.4265 8.4696 118.8828 57.1170 41.1526 178.0441 53 F 3.2325 8.1029 120.9935 60.8445 39.3879 176.8548 54 R 3.3420 7.9830 118.6379 59.3771 29.7778 178.3814 55 K 4.3077 8.2737 119.0534 58.9441 32.0075 179.1286 56 A 4.3074 7.6030 121.6913 54.4296 18.2156 179.5744 57 V 3.0295 7.2110 117.0502 66.0863 31.3541 178.4797 58 W 4.6112 7.4944 117.7364 59.6838 28.6852 178.5572 59 E 4.1763 8.2926 118.9067 59.4978 28.7088 179.1657 60 E 3.9502 8.3000 118.0410 59.1220 29.7764 179.0558 61 V 3.7945 8.2055 119.1392 66.2438 31.6952 178.2857 62 S 4.2617 8.4272 113.9014 61.1278 62.5147 175.6875 63 K 4.5888 7.6042 119.3515 55.7192 32.3934 175.9463 64 D 4.7604 7.7085 120.6630 51.6701 41.4771 174.9079 65 P 4.3495 0.0000 0.0000 65.6151 31.8396 179.1094 66 E 4.0349 8.3182 116.7952 59.4211 29.5873 178.3401 67 L 4.2593 8.3508 117.7866 57.0363 41.9579 178.1214 68 S 4.7507 8.2023 112.1553 58.2328 63.8844 176.2213 69 K 3.9937 7.7347 120.4407 59.8174 32.2549 177.2567 70 N 4.6306 8.1538 115.2905 53.7366 39.1572 174.2659 71 L 4.4078 7.6113 117.9321 54.4672 42.7700 177.0381 72 N 4.7043 8.4348 120.6301 51.7299 39.7644 174.3102 73 P 4.2268 0.0000 0.0000 66.0169 31.3083 179.1913 74 S 4.1510 8.0590 113.3008 61.7258 62.9017 176.3113 75 N 4.4730 8.6398 119.1757 56.1858 38.2116 177.6556 76 K 4.0400 8.4321 120.3205 59.4690 32.0134 179.4668 77 S 4.0908 8.2006 115.4532 61.5971 62.8162 176.4633 78 S 4.1422 8.0233 115.5650 61.8283 62.1112 176.7561 79 V 4.1753 8.1727 116.3667 63.8214 31.0423 178.7484 80 S 4.1881 7.8064 114.6256 60.2680 62.8155 175.7473 81 K 4.1257 7.1604 119.2986 55.7513 31.8836 177.3921 82 G 3.9761 8.1394 108.5813 45.9488 0.0000 172.7783 83 Y 4.8013 7.4418 116.9984 56.6584 39.8417 175.3830 84 S 2.9383 8.2716 118.4264 57.2042 63.8592 172.5178 85 P 4.4160 0.0000 0.0000 62.4018 32.6255 175.5793 86 F 4.4801 9.1083 121.7780 57.8986 39.4221 175.5575 87 T 4.0918 8.0448 113.9106 59.6270 70.3976 172.7418 88 P 4.3123 0.0000 0.0000 62.4374 32.2672 177.4856 89 K 3.7570 8.8784 122.9082 59.7664 32.0175 177.8087 90 N 4.6601 8.0736 112.4184 53.8058 37.7106 175.0613 91 Q 4.4428 8.1595 118.0376 55.9502 29.8859 175.6696 92 Q 4.4311 7.5210 117.1645 55.3145 29.7029 176.0040 93 V 4.2146 8.2285 118.8001 61.7320 34.1491 176.0998 94 G 4.1953 8.4097 119.4073 47.0336 0.0000 173.9153 95 G 3.6899 8.8733 113.1121 45.8663 0.0000 173.0314 96 R 4.2664 8.3222 121.0413 54.8867 30.0013 176.4596 97 A 4.6489 8.3081 124.7869 51.4576 20.6727 175.3002 98 V 4.5602 7.0372 107.5529 58.6944 35.2324 175.2229 99 Y 4.2500 8.0317 120.2608 58.6624 38.3358 175.8980 100 E 4.9127 9.7472 122.5329 54.6809 33.1153 174.7288 101 L 5.2195 8.5377 121.9079 53.7378 43.6647 175.4790 102 H 5.0621 9.2188 119.7553 54.5007 33.8002 171.6501 103 H 5.0313 8.5904 116.0952 54.6080 29.9584 174.7884 104 D 4.4402 9.1850 124.0593 56.6189 41.2335 175.8041 105 K 4.2717 9.0885 119.6557 54.2949 33.2758 174.9433 106 P 4.5891 0.0000 0.0000 62.5930 32.2417 177.2715 107 I 4.3259 8.4864 120.2084 64.0125 37.1578 178.6236 108 S 4.2006 7.9638 113.3043 60.4068 63.0594 174.6393 109 Q 4.3236 7.9363 118.2944 55.6577 28.7540 176.0326 110 G 3.9734 8.0271 106.3761 44.7883 0.0000 174.4597 111 G 4.1235 8.0524 109.5486 45.0015 0.0000 173.2829 112 E 4.4607 8.4348 123.8092 55.3027 30.7410 177.0304 113 V 3.2804 8.3292 122.2983 65.5888 31.7790 176.5401 114 Y 4.2726 7.7356 114.6704 57.4476 38.4384 174.5051 115 D 4.9239 7.7185 120.5386 52.9957 40.6138 176.8177 116 M 4.1484 8.9001 128.3366 58.0720 32.0558 177.6660 117 D 4.5413 8.4172 116.9813 55.5050 41.3746 176.1338 118 N 4.9249 8.4916 118.3728 53.1253 40.1163 173.4610 119 I 5.0371 7.7002 117.1706 59.5934 40.1256 175.0503 120 R 4.9604 9.2352 124.6787 54.4271 34.6107 174.3704 121 V 4.9998 9.3271 123.3793 61.9755 33.2336 174.9210 122 T 5.4479 9.1004 117.8883 59.8967 72.5781 173.5103 123 T 4.2529 8.5194 112.9662 60.8458 70.0483 173.7567 124 P 4.2538 0.0000 0.0000 65.9155 31.4359 178.8806 125 K 3.9112 7.9935 118.2324 59.4676 32.1305 178.9503 126 R 3.9161 7.9223 118.6047 59.5682 30.0518 177.8312 127 H 4.0784 8.3874 118.1612 59.3843 29.7691 177.1059 128 I 3.8238 8.1263 120.6059 63.8606 37.5184 177.6949 129 D 4.3116 7.7495 118.8207 57.3397 40.9713 178.2715 130 I 3.8146 7.7284 120.2018 64.7766 37.0285 177.8185 131 H 4.0064 8.4949 119.1453 59.5130 29.4560 177.4307 132 R 4.0743 8.3249 118.5614 58.2115 29.9596 178.1646 133 G 3.8992 7.4136 103.2487 44.7085 0.0000 173.8806 134 K 4.1517 7.5392 125.8265 56.6144 32.0760 176.7606 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 3 S 8.19 4.40 0.00 3.87 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 4 K 8.39 3.85 0.00 1.88 1.72 0.00 1.77 0.00 0.00 1.83 0.00 0.00 2.93 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.51 1.50 7.81 5 R 8.72 3.94 0.00 1.91 1.97 0.00 2.90 0.00 0.00 3.31 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 6 N 7.83 4.79 0.00 2.86 2.94 0.00 0.00 6.84 7.54 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 7 K 7.58 4.91 0.00 1.85 1.78 0.00 1.75 0.00 0.00 1.79 0.00 0.00 3.02 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.43 1.62 7.81 8 P 0.00 5.15 0.00 2.07 2.08 0.00 3.47 0.00 0.00 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 1.85 0.00 9 G 7.72 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 10 K 8.34 5.07 0.00 1.69 1.65 0.00 1.77 0.00 0.00 1.69 0.00 0.00 2.75 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.31 1.36 7.81 11 A 9.00 4.68 1.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 T 9.04 4.83 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 1.24 0.00 0.00 13 G 8.87 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 K 9.59 4.13 0.00 1.86 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.12 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.39 1.41 7.81 15 G 8.80 4.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 8.15 4.63 0.00 1.75 1.64 0.00 1.69 0.00 0.00 1.70 0.00 0.00 2.99 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.35 1.52 7.81 17 P 0.00 4.86 0.00 2.15 2.09 0.00 3.30 0.00 0.00 4.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.93 0.00 18 V 8.07 4.65 2.18 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 0.81 0.00 0.00 0.51 0.00 0.00 19 G 8.16 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 20 D 9.12 4.41 0.00 2.73 2.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 21 K 7.84 4.69 0.00 1.67 1.75 0.00 1.83 0.00 0.00 1.87 0.00 0.00 2.91 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.36 0.97 7.81 22 W 8.31 4.60 0.00 3.62 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 23 L 6.94 3.33 0.00 1.13 0.92 0.23 -0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.22 0.00 0.00 0.00 0.00 0.00 0.00 24 D 8.26 4.43 0.00 2.78 2.73 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 25 D 7.99 4.53 0.00 2.91 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 26 A 8.05 4.52 1.54 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 0.00 0.00 27 G 7.65 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 0.00 0.00 0.00 28 K 7.15 4.79 0.00 1.85 1.69 0.00 1.85 0.00 0.00 1.68 0.00 0.00 2.89 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.36 1.40 7.81 29 D 8.17 4.08 0.00 2.83 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 0.00 0.00 0.00 30 S 9.02 4.55 0.00 3.88 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 31 G 8.21 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 0.00 0.00 0.00 32 A 8.65 4.78 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 P 0.00 4.87 0.00 2.11 2.12 0.00 3.92 0.00 0.00 3.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.04 0.00 34 I 8.18 3.94 1.88 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 1.56 1.11 0.85 0.00 0.00 35 P 0.00 4.56 0.00 1.72 1.44 0.00 3.19 0.00 0.00 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 0.80 0.00 36 D 8.49 4.72 0.00 2.91 2.89 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.74 4.15 0.00 1.74 1.93 0.00 3.06 0.00 0.00 3.28 7.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.62 0.00 38 I 7.35 3.65 1.79 0.00 0.00 0.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.25 0.66 0.69 0.00 0.00 39 A 7.97 4.04 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 40 D 8.18 4.30 0.00 2.81 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 41 K 7.67 4.16 0.00 1.82 1.86 0.00 1.69 0.00 0.00 1.69 0.00 0.00 3.01 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.59 1.58 7.81 42 L 7.88 4.61 0.00 1.85 2.01 0.50 0.83 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 43 R 7.63 4.33 0.00 1.93 1.91 0.00 3.35 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.64 0.00 44 D 9.33 4.67 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 45 K 7.96 4.29 0.00 1.67 1.30 0.00 1.66 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.58 1.50 7.81 46 E 8.22 4.78 0.00 1.83 1.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 2.35 0.00 47 F 8.68 5.07 0.00 2.95 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 48 K 9.46 4.18 0.00 1.94 2.00 0.00 1.71 0.00 0.00 1.82 0.00 0.00 3.04 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.95 1.49 7.81 49 S 7.66 5.12 0.00 4.17 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 50 F 9.26 4.31 0.00 2.91 3.13 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 51 D 8.25 4.44 0.00 2.87 2.73 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 52 D 8.47 4.43 0.00 3.00 3.10 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 53 F 8.10 3.23 0.00 2.87 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 R 7.98 3.34 0.00 1.49 1.96 0.00 3.39 0.00 0.00 3.30 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.74 0.00 55 K 8.27 4.31 0.00 2.03 1.91 0.00 1.90 0.00 0.00 1.83 0.00 0.00 3.11 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.72 1.49 7.81 56 A 7.60 4.31 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 57 V 7.21 3.03 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 0.18 0.00 0.00 -0.24 0.00 0.00 58 W 7.49 4.61 0.00 3.44 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 59 E 8.29 4.18 0.00 2.18 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 2.33 2.47 0.00 60 E 8.30 3.95 0.00 1.91 1.93 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 2.49 2.39 0.00 61 V 8.21 3.79 2.59 0.00 0.00 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 0.00 0.00 1.01 0.00 0.00 62 S 8.43 4.26 0.00 4.11 4.34 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 63 K 7.60 4.59 0.00 1.83 1.88 0.00 1.66 0.00 0.00 1.62 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.45 1.57 7.81 64 D 7.71 4.76 0.00 2.81 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 65 P 0.00 4.35 0.00 2.22 2.09 0.00 3.64 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 2.11 2.11 0.00 66 E 8.32 4.03 0.00 2.08 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 2.26 0.00 67 L 8.35 4.26 0.00 1.63 1.79 0.54 -0.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 68 S 8.20 4.75 0.00 4.09 4.43 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 69 K 7.73 3.99 0.00 1.91 2.30 0.00 1.63 0.00 0.00 1.66 0.00 0.00 3.16 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.68 1.43 7.81 70 N 8.15 4.63 0.00 2.76 2.88 0.00 0.00 6.98 7.78 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 71 L 7.61 4.41 0.00 1.98 1.61 0.88 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 72 N 8.43 4.70 0.00 2.92 2.97 0.00 0.00 6.23 7.76 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 73 P 0.00 4.23 0.00 2.18 2.16 0.00 3.60 0.00 0.00 3.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.20 0.00 74 S 8.06 4.15 0.00 3.96 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 75 N 8.64 4.47 0.00 2.93 2.90 0.00 0.00 7.07 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 76 K 8.43 4.04 0.00 1.99 1.88 0.00 1.69 0.00 0.00 1.67 0.00 0.00 2.97 0.00 0.00 3.22 0.00 0.00 0.00 0.00 1.50 1.81 7.81 77 S 8.20 4.09 0.00 4.08 3.92 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 78 S 8.02 4.14 0.00 4.09 4.06 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 79 V 8.17 4.18 2.47 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 0.95 0.00 0.00 1.09 0.00 0.00 80 S 7.81 4.19 0.00 4.01 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 0.00 81 K 7.16 4.13 0.00 0.79 0.88 0.00 1.41 0.00 0.00 1.47 0.00 0.00 2.98 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.22 1.25 7.81 82 G 8.14 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 0.00 0.00 0.00 83 Y 7.44 4.80 0.00 2.95 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 84 S 8.27 2.94 0.00 3.36 3.36 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 85 P 0.00 4.42 0.00 2.10 2.02 0.00 2.20 0.00 0.00 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 1.40 0.00 86 F 9.11 4.48 0.00 2.91 3.01 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 87 T 8.04 4.09 3.80 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 0.00 0.00 0.09 0.00 0.00 88 P 0.00 4.31 0.00 2.17 2.01 0.00 3.54 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 2.13 2.10 0.00 89 K 8.88 3.76 0.00 1.76 1.81 0.00 1.69 0.00 0.00 1.85 0.00 0.00 2.94 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.50 1.44 7.81 90 N 8.07 4.66 0.00 2.84 2.90 0.00 0.00 5.89 7.39 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 91 Q 8.16 4.44 0.00 2.10 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.52 6.95 0.00 0.00 0.00 0.00 0.00 2.25 2.41 0.00 92 Q 7.52 4.43 0.00 2.14 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.33 6.77 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 93 V 8.23 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 1.01 0.00 0.00 0.91 0.00 0.00 94 G 8.41 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 0.00 0.00 0.00 95 G 8.87 3.69 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 0.00 0.00 0.00 96 R 8.32 4.27 0.00 1.96 2.01 0.00 3.06 0.00 0.00 3.17 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 97 A 8.31 4.65 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 98 V 7.04 4.56 1.74 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 -0.09 0.00 0.00 0.72 0.00 0.00 99 Y 8.03 4.25 0.00 2.68 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 0.00 100 E 9.75 4.91 0.00 1.96 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 0.00 2.24 2.42 0.00 101 L 8.54 5.22 0.00 1.76 1.86 0.72 1.01 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 0.00 102 H 9.22 5.06 0.00 3.09 3.18 0.00 5.59 0.00 0.00 0.00 0.00 6.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 103 H 8.59 5.03 0.00 2.89 3.13 0.00 5.89 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 0.00 104 D 9.18 4.44 0.00 2.68 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 0.00 105 K 9.09 4.27 0.00 1.79 1.79 0.00 1.68 0.00 0.00 1.68 0.00 0.00 3.13 0.00 0.00 2.82 0.00 0.00 0.00 0.00 1.45 1.35 7.81 106 P 0.00 4.59 0.00 2.22 2.14 0.00 3.74 0.00 0.00 3.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 1.98 0.00 107 I 8.49 4.33 1.72 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.83 1.76 0.81 0.00 0.00 108 S 7.96 4.20 0.00 3.95 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 Q 7.94 4.32 0.00 2.03 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 5.65 0.00 0.00 0.00 0.00 0.00 2.26 2.26 0.00 110 G 8.03 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 0.00 0.00 0.00 111 G 8.05 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 0.00 0.00 0.00 0.00 112 E 8.43 4.46 0.00 1.96 1.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.27 0.00 113 V 8.33 3.28 1.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.19 0.00 0.00 0.68 0.00 0.00 114 Y 7.74 4.27 0.00 3.15 2.68 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 0.00 115 D 7.72 4.92 0.00 2.91 2.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 M 8.90 4.15 0.00 2.07 2.24 0.00 0.00 0.00 0.00 0.00 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.90 2.58 0.00 117 D 8.42 4.54 0.00 2.80 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 0.00 118 N 8.49 4.92 0.00 2.96 2.85 0.00 0.00 6.87 7.31 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 0.00 119 I 7.70 5.04 1.93 0.00 0.00 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.86 1.12 0.00 0.00 120 R 9.24 4.96 0.00 1.75 1.92 0.00 3.14 0.00 0.00 3.34 7.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.58 0.00 121 V 9.33 5.00 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 1.19 0.00 0.00 1.11 0.00 0.00 122 T 9.10 5.45 4.35 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 1.33 0.00 0.00 123 T 8.52 4.25 4.28 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 0.00 0.00 1.25 0.00 0.00 124 P 0.00 4.25 0.00 2.25 2.13 0.00 3.67 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.13 2.31 0.00 125 K 7.99 3.91 0.00 1.95 1.95 0.00 1.81 0.00 0.00 1.57 0.00 0.00 2.91 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.43 1.44 7.81 126 R 7.92 3.92 0.00 2.03 1.95 0.00 3.22 0.00 0.00 3.29 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.71 0.00 127 H 8.39 4.08 0.00 3.25 3.44 0.00 5.64 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 128 I 8.13 3.82 1.87 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 1.52 1.42 0.96 0.00 0.00 129 D 7.75 4.31 0.00 2.89 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 0.00 130 I 7.73 3.81 1.96 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 1.31 0.89 0.00 0.00 131 H 8.49 4.01 0.00 3.03 3.39 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 0.00 132 R 8.32 4.07 0.00 1.86 1.97 0.00 3.21 0.00 0.00 3.23 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.75 0.00 133 G 7.41 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 0.00 0.00 0.00 134 K 7.54 4.15 0.00 1.75 1.68 0.00 1.76 0.00 0.00 1.70 0.00 0.00 3.03 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.44 1.50 7.81