NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5007 8.3349 115.4215 57.8979 64.3671 173.0528 2 L 4.2391 8.3330 123.0600 52.5595 42.5579 176.2965 3 S 4.4974 9.1884 120.8384 57.2798 66.4857 174.8439 4 A 3.9547 8.4743 123.0308 55.4746 17.8370 179.7542 5 K 3.9434 7.9574 117.3974 59.4052 32.3894 178.5517 6 D 4.5295 8.2025 120.8168 56.6783 40.7975 178.8499 7 K 3.8778 7.9264 118.3929 59.5551 32.0934 179.1565 8 A 3.9751 7.9523 120.7915 55.2773 18.2522 179.5078 9 N 4.2925 8.4060 115.1738 56.2894 38.5529 177.8661 10 V 3.6512 7.8671 119.6525 66.0405 31.3991 178.0992 11 K 3.8180 7.7760 116.5367 59.3783 32.1778 178.9757 12 A 4.1091 7.9936 120.8455 55.3436 18.4952 179.6226 13 I 3.6326 7.9634 117.1080 63.9481 38.0611 178.0507 14 W 3.9268 8.8775 120.1142 59.2392 28.5369 178.5714 15 G 3.6192 7.6767 104.9286 47.5875 0.0000 175.6492 16 K 3.8615 7.4914 119.8210 59.1103 32.2669 179.2620 17 I 3.6565 6.9114 119.5816 64.0058 36.9526 178.2277 18 L 3.9733 7.8184 119.9364 57.4011 41.2886 177.7925 19 P 4.4487 0.0000 0.0000 64.2755 31.3842 177.1451 20 K 4.5102 7.8843 116.4667 56.0184 32.9221 177.7076 21 S 4.0046 8.1030 116.4525 61.8049 62.0819 176.1536 22 D 4.2916 7.9707 120.6889 57.3480 40.6043 178.2328 23 E 3.8449 7.9978 119.2073 59.3487 29.6227 178.6525 24 I 3.4055 7.8907 120.3499 64.1020 36.9939 178.6795 25 G 3.5749 8.2097 106.8650 47.7508 0.0000 175.6116 26 E 3.9681 8.1147 120.6101 59.1368 29.5587 179.1741 27 Q 3.9748 8.2976 118.9364 58.6070 28.7724 178.7903 28 A 3.9736 8.2374 121.9420 55.0478 18.4859 179.4636 29 L 3.9265 8.1672 119.1040 58.4334 42.1819 179.2855 30 S 4.1746 8.3787 115.3874 61.8119 62.7438 177.0262 31 R 4.0300 8.1181 120.7600 59.0961 29.8207 178.4657 32 M 4.1845 8.2550 118.1961 58.9449 32.1695 178.2855 33 L 4.0331 8.0360 118.7900 57.7666 41.5787 179.8137 34 V 3.6118 7.7067 116.7928 66.0222 31.7314 178.0506 35 V 3.7009 8.1491 116.8416 64.3452 32.8675 175.5788 36 Y 4.6947 8.0164 115.9958 55.0113 37.9966 174.3263 37 P 4.7834 0.0000 0.0000 64.2219 31.6490 178.1504 38 Q 4.0215 8.3968 118.3239 60.1252 28.1250 179.1426 39 T 4.2616 8.5208 110.9873 63.9333 68.9118 176.6864 40 K 4.2006 8.2524 121.4658 59.0343 31.7487 178.5125 41 A 3.8047 7.4142 120.4614 54.8616 18.1631 178.1875 42 Y 4.2117 7.3111 111.9827 58.0067 38.5233 175.9976 43 F 4.3652 7.8010 118.9254 56.8242 40.1333 176.9878 44 S 4.3389 8.1386 116.7295 60.6107 63.0147 174.6161 45 H 4.5542 8.1327 115.4674 56.7216 27.8502 175.6626 46 W 4.6188 7.7980 120.5900 56.1699 29.5764 177.2422 47 A 4.2752 8.5836 123.5115 54.9779 18.1911 177.8915 48 S 4.7185 7.4751 107.9293 57.8189 65.5320 174.4112 49 V 4.5994 8.3856 117.9917 61.0165 32.3786 175.7208 50 A 4.2095 8.1099 124.1622 51.0228 18.7991 176.3607 51 P 4.6001 0.0000 0.0000 63.5202 31.7352 177.3439 52 G 3.9318 8.5730 109.6870 45.9940 0.0000 174.5958 53 S 4.2856 7.9131 115.3118 57.7564 64.9427 174.8696 54 A 3.8820 8.4825 124.3893 55.2507 18.0003 178.4200 55 P 3.6947 0.0000 0.0000 65.3011 31.2970 179.1385 56 V 3.4671 7.1217 116.8218 65.7081 31.5769 178.2042 57 K 3.8734 8.3590 118.6679 59.2864 31.9454 179.1609 58 K 3.8264 7.8727 119.6832 59.9349 32.0782 178.3758 59 H 4.4113 8.2958 118.6637 58.7370 29.7387 177.1009 60 G 3.8001 8.5333 108.3361 48.0645 0.0000 175.5909 61 I 3.7191 7.6374 121.8077 64.3297 37.0142 178.5276 62 T 3.8675 7.7811 116.4268 66.8096 68.2466 176.5069 63 I 3.7580 7.9395 121.7008 64.8179 37.1598 178.4066 64 M 4.1636 8.2510 119.3170 58.5544 31.8364 178.4425 65 N 4.3307 8.8648 116.9619 56.5541 38.6653 177.2286 66 Q 4.0476 7.9412 120.7993 59.3031 29.2468 178.2245 67 I 3.7696 8.0801 120.9904 64.4400 36.9230 177.8996 68 D 4.5382 8.7605 119.1371 57.9120 41.0611 178.6252 69 D 4.4977 8.3132 119.0325 57.3946 40.7920 178.3884 70 C 3.9409 8.3626 117.5731 62.9768 27.9172 176.2889 71 V 3.2081 7.2754 118.3991 65.5172 30.9992 177.4754 72 G 3.7332 7.5597 102.6131 45.4078 0.0000 173.2485 73 H 4.7830 8.3411 118.6074 55.6142 30.0604 175.1740 74 M 4.3057 8.1020 119.5769 57.4448 31.9822 177.3752 75 D 4.5423 7.8944 117.9612 56.1956 42.2078 176.2158 76 D 4.8798 8.0149 117.8089 51.9225 41.5343 175.4134 77 L 4.0714 8.0479 125.2660 58.3027 42.5102 177.6609 78 F 4.0383 8.5561 116.3267 60.4588 39.1937 177.1170 79 G 4.0970 8.3817 104.7483 49.1156 0.0000 174.9054 80 F 4.1589 8.1699 122.3916 60.6879 39.4475 176.3434 81 L 4.2602 7.7306 116.0422 54.7815 41.4202 178.4551 82 T 3.8508 7.8821 118.7905 66.7889 68.4026 176.5499 83 K 3.9136 7.8216 119.6899 59.4398 32.1485 179.0802 84 L 3.9514 7.6657 120.0952 57.7351 41.9808 178.5817 85 S 4.4833 8.2005 114.9283 60.9113 62.3994 175.7245 86 E 3.7613 7.9184 121.3705 59.0764 29.2850 178.4865 87 L 3.8450 7.9976 120.2563 58.6706 42.2318 178.8174 88 H 4.1568 8.3937 115.8465 58.5252 28.0810 177.8344 89 A 2.9571 7.9867 122.8859 54.9148 17.9180 179.4474 90 T 3.9767 7.8283 112.3358 65.6472 69.2893 177.2613 91 K 4.0248 7.7395 119.5702 59.4653 32.5907 178.1995 92 L 4.1697 7.7434 116.9438 54.2498 42.9908 176.8934 93 R 3.9398 7.7857 115.6848 55.7821 27.4378 176.5071 94 V 3.4757 7.8253 116.2107 61.1128 32.8176 174.7529 95 D 4.2821 8.9391 128.0282 53.6535 41.3909 175.1076 96 P 2.9700 0.0000 0.0000 64.6663 30.8181 178.1122 97 T 3.8188 7.8018 110.0521 64.4669 68.4919 175.8416 98 N 4.4028 7.9179 119.5158 55.6263 38.4840 177.1323 99 F 4.4932 7.4644 120.0499 60.5020 38.9719 177.6621 100 K 4.1052 7.6989 118.4037 59.6206 32.4275 179.4673 101 I 3.3970 7.5515 121.5275 64.0993 36.9163 177.9067 102 L 3.9418 7.9438 120.4639 58.0229 41.8679 178.4203 103 A 4.0005 7.9374 120.7023 55.5938 18.2026 179.0924 104 H 4.1093 8.1510 116.3770 59.6385 30.0129 177.2274 105 N 4.2873 8.0170 117.9681 56.0951 38.3374 177.1303 106 L 3.9315 8.2462 122.0404 58.1560 42.1439 178.9481 107 I 3.5595 7.9277 119.8498 64.4601 37.0913 178.2666 108 V 3.5045 7.8564 119.1386 66.2649 31.2644 178.2940 109 V 3.6507 7.7061 117.6520 65.9404 31.2792 178.0168 110 I 3.6033 8.0301 119.8071 64.1506 36.6302 178.0781 111 A 3.7951 7.2381 120.2407 55.2553 18.2855 179.3025 112 A 3.9473 7.7720 117.7975 55.2140 18.4627 178.8848 113 Y 3.6684 7.8674 113.9997 58.9041 39.6011 176.0503 114 F 5.0480 8.1721 117.9916 55.5435 39.7690 174.0449 115 P 4.3866 0.0000 0.0000 65.8182 31.9835 178.4258 116 A 4.1956 8.1333 120.8420 54.9870 18.5108 178.3510 117 E 4.1738 8.2757 113.9129 58.8689 30.4054 177.5580 118 F 4.6383 8.1732 123.2170 57.1252 38.0907 175.3729 119 T 4.1623 7.2938 114.9973 60.6239 71.3587 173.3550 120 P 4.1871 0.0000 0.0000 66.0069 31.2452 178.8163 121 E 3.8927 7.9811 116.5127 59.4005 29.5368 179.1092 122 I 3.6320 7.3669 119.3956 64.6253 37.2027 177.6083 123 H 3.5164 7.9196 119.2037 59.1595 29.4978 176.4218 124 L 3.8842 8.2575 122.1488 58.6539 41.7046 179.2879 125 S 4.3848 8.0252 115.9870 61.0848 62.7658 176.8838 126 V 3.9482 8.5084 121.3883 66.1222 31.2594 177.5814 127 D 4.4359 8.8654 118.1999 57.3448 41.1368 178.2741 128 K 3.9826 8.3149 119.0573 59.3953 32.0254 178.9609 129 F 4.3089 8.5165 120.8572 61.5766 39.3678 177.2530 130 L 3.5440 8.5111 118.7565 57.6517 41.2742 179.5815 131 Q 4.0192 8.4309 118.5234 58.8534 28.5299 178.5896 132 Q 3.8987 8.1629 120.6808 58.8459 29.0947 177.7347 133 L 3.5716 7.8893 121.5971 58.1056 42.1426 178.6987 134 A 3.7853 8.0773 120.7989 55.3329 18.0716 179.6362 135 L 3.9745 7.8073 115.9886 57.8857 42.0624 179.3669 136 A 3.3864 7.7312 121.0682 54.6718 18.0351 179.6983 137 L 3.8208 7.8024 117.3054 57.2156 41.0181 178.5752 138 A 4.5473 7.7684 118.8007 52.9370 18.5204 178.7533 139 E 4.1747 8.0187 117.8344 58.3209 29.7639 177.2725 140 K 4.5421 8.3725 116.5411 56.2293 32.3415 175.7638 141 Y 4.0839 7.7735 116.6319 58.4171 38.6400 176.0074 142 R 4.2364 8.6538 121.5262 56.9170 30.2738 176.1389 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 S 8.33 4.50 0.00 4.02 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 2 L 8.33 4.24 0.00 1.78 1.66 1.05 0.74 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 3 S 9.19 4.50 0.00 4.07 4.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.47 3.95 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 5 K 7.96 3.94 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.81 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.50 1.52 7.81 6 D 8.20 4.53 0.00 2.97 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 7 K 7.93 3.88 0.00 1.98 1.78 0.00 1.65 0.00 0.00 1.61 0.00 0.00 2.96 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.39 1.55 7.81 8 A 7.95 3.98 1.34 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 0.00 0.00 9 N 8.41 4.29 0.00 2.98 2.90 0.00 0.00 6.64 8.32 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 10 V 7.87 3.65 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 0.07 0.00 0.00 0.86 0.00 0.00 11 K 7.78 3.82 0.00 1.93 1.82 0.00 1.78 0.00 0.00 1.64 0.00 0.00 2.89 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.36 1.30 7.81 12 A 7.99 4.11 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 13 I 7.96 3.63 1.98 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 1.71 1.08 1.32 0.00 0.00 14 W 8.88 3.93 0.00 3.58 3.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.68 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 16 K 7.49 3.86 0.00 0.95 0.74 0.00 1.58 0.00 0.00 1.62 0.00 0.00 3.36 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.22 1.27 7.81 17 I 6.91 3.66 1.04 0.00 0.00 -0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.09 0.31 0.00 0.00 18 L 7.82 3.97 0.00 1.69 1.74 1.05 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 19 P 0.00 4.45 0.00 2.06 2.13 0.00 3.68 0.00 0.00 3.67 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.17 0.00 20 K 7.88 4.51 0.00 1.80 1.58 0.00 1.71 0.00 0.00 1.63 0.00 0.00 2.94 0.00 0.00 3.06 0.00 0.00 0.00 0.00 1.37 1.43 7.81 21 S 8.10 4.00 0.00 4.00 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 22 D 7.97 4.29 0.00 2.77 2.67 0.00 0.00 0.00 0.00 0.00 0.00 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 8.00 3.84 0.00 1.97 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 2.19 2.38 0.00 24 I 7.89 3.41 1.84 0.00 0.00 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.68 -0.07 0.73 0.00 0.00 25 G 8.21 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 0.00 0.00 0.00 26 E 8.11 3.97 0.00 2.25 2.19 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 2.27 2.61 0.00 27 Q 8.30 3.97 0.00 2.27 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.47 2.65 0.00 28 A 8.24 3.97 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 29 L 8.17 3.93 0.00 1.80 1.77 0.81 1.49 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 30 S 8.38 4.17 0.00 4.07 3.93 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 31 R 8.12 4.03 0.00 1.94 2.17 0.00 3.25 0.00 0.00 3.13 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.77 0.00 32 M 8.26 4.18 0.00 2.27 2.13 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.71 0.00 33 L 8.04 4.03 0.00 1.92 1.72 0.93 0.44 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 34 V 7.71 3.61 2.19 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 0.79 0.00 0.00 0.99 0.00 0.00 35 V 8.15 3.70 2.27 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 0.43 0.00 0.00 1.00 0.00 0.00 36 Y 8.02 4.69 0.00 3.21 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 37 P 0.00 4.78 0.00 2.27 2.32 0.00 3.87 0.00 0.00 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.86 0.00 38 Q 8.40 4.02 0.00 2.34 2.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.95 0.00 0.00 0.00 0.00 0.00 2.74 2.56 0.00 39 T 8.52 4.26 4.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 40 K 8.25 4.20 0.00 2.02 1.95 0.00 1.72 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.33 0.00 0.00 0.00 0.00 1.51 1.65 7.81 41 A 7.41 3.80 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.31 4.21 0.00 2.09 2.36 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 43 F 7.80 4.37 0.00 2.66 1.85 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 44 S 8.14 4.34 0.00 3.98 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 45 H 8.13 4.55 0.00 3.38 3.46 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 46 W 7.80 4.62 0.00 3.54 3.15 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 0.00 0.00 0.00 0.00 47 A 8.58 4.28 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 48 S 7.48 4.72 0.00 3.97 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 49 V 8.39 4.60 2.14 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 0.91 0.00 0.00 1.00 0.00 0.00 50 A 8.11 4.21 1.28 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 0.00 0.00 0.00 51 P 0.00 4.60 0.00 2.06 2.04 0.00 3.84 0.00 0.00 4.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.09 0.00 52 G 8.57 3.93 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 0.00 0.00 0.00 53 S 7.91 4.29 0.00 4.05 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 54 A 8.48 3.88 1.27 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 55 P 0.00 3.69 0.00 1.86 1.20 0.00 3.49 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.94 0.00 56 V 7.12 3.47 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 1.01 0.00 0.00 1.12 0.00 0.00 57 K 8.36 3.87 0.00 1.72 1.79 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.43 1.42 7.81 58 K 7.87 3.83 0.00 1.84 1.73 0.00 1.51 0.00 0.00 1.43 0.00 0.00 2.88 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.38 1.38 7.81 59 H 8.30 4.41 0.00 3.21 3.37 0.00 5.86 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 60 G 8.53 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 0.00 0.00 0.00 0.00 61 I 7.64 3.72 2.03 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.84 0.91 0.00 0.00 62 T 7.78 3.87 4.36 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 1.27 0.00 0.00 63 I 7.94 3.76 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 1.55 0.55 0.95 0.00 0.00 64 M 8.25 4.16 0.00 2.09 2.24 0.00 0.00 0.00 0.00 0.00 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.84 2.75 0.00 65 N 8.86 4.33 0.00 2.79 2.93 0.00 0.00 6.67 8.00 0.00 0.00 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 Q 7.94 4.05 0.00 2.15 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.81 0.00 0.00 0.00 0.00 0.00 2.34 2.48 0.00 67 I 8.08 3.77 2.11 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 1.53 1.05 1.15 0.00 0.00 68 D 8.76 4.54 0.00 2.93 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 69 D 8.31 4.50 0.00 3.07 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 70 C 8.36 3.94 0.00 3.29 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 71 V 7.28 3.21 1.85 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 0.39 0.00 0.00 -0.34 0.00 0.00 72 G 7.56 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 73 H 8.34 4.78 0.00 2.51 2.89 0.00 5.62 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 74 M 8.10 4.31 0.00 1.94 2.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.47 2.42 0.00 75 D 7.89 4.54 0.00 2.65 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 76 D 8.01 4.88 0.00 2.73 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 77 L 8.05 4.07 0.00 1.89 1.69 1.00 0.97 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 78 F 8.56 4.04 0.00 3.02 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 79 G 8.38 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.17 4.16 0.00 3.05 3.31 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 81 L 7.73 4.26 0.00 1.84 1.50 0.74 0.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 82 T 7.88 3.85 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 1.21 0.00 0.00 83 K 7.82 3.91 0.00 1.67 1.78 0.00 1.59 0.00 0.00 1.69 0.00 0.00 2.82 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.47 1.41 7.81 84 L 7.67 3.95 0.00 1.61 1.52 0.94 0.77 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 85 S 8.20 4.48 0.00 4.09 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 86 E 7.92 3.76 0.00 2.08 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 2.26 2.30 0.00 87 L 8.00 3.84 0.00 1.92 1.82 0.89 0.84 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 88 H 8.39 4.16 0.00 3.66 3.73 0.00 5.87 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 89 A 7.99 2.96 0.30 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 90 T 7.83 3.98 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 1.16 0.00 0.00 91 K 7.74 4.02 0.00 1.70 1.94 0.00 1.74 0.00 0.00 1.67 0.00 0.00 3.06 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.38 1.49 7.81 92 L 7.74 4.17 0.00 1.78 1.59 0.69 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 0.00 0.00 0.00 0.00 0.00 0.00 93 R 7.79 3.94 0.00 1.95 2.01 0.00 3.25 0.00 0.00 2.77 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.54 0.00 94 V 7.83 3.48 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.49 0.00 0.00 95 D 8.94 4.28 0.00 2.76 2.58 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 96 P 0.00 2.97 0.00 1.85 1.38 0.00 3.46 0.00 0.00 3.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.05 0.00 97 T 7.80 3.82 4.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.16 0.00 0.00 98 N 7.92 4.40 0.00 2.53 2.85 0.00 0.00 6.83 7.80 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 99 F 7.46 4.49 0.00 2.98 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 0.00 100 K 7.70 4.11 0.00 2.04 2.07 0.00 1.29 0.00 0.00 1.62 0.00 0.00 2.92 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.57 1.42 7.81 101 I 7.55 3.40 1.91 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 1.00 0.34 0.00 0.00 102 L 7.94 3.94 0.00 1.83 1.86 0.97 1.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 103 A 7.94 4.00 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 0.00 104 H 8.15 4.11 0.00 3.25 3.39 0.00 5.79 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 0.00 105 N 8.02 4.29 0.00 2.96 2.99 0.00 0.00 6.72 6.22 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 0.00 106 L 8.25 3.93 0.00 1.78 1.88 0.89 1.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 0.00 0.00 0.00 0.00 0.00 0.00 107 I 7.93 3.56 2.14 0.00 0.00 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.64 1.04 0.00 0.00 108 V 7.86 3.50 2.16 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 0.99 0.00 0.00 0.84 0.00 0.00 109 V 7.71 3.65 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 0.99 0.00 0.00 1.01 0.00 0.00 110 I 8.03 3.60 1.28 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 1.14 0.42 0.56 0.00 0.00 111 A 7.24 3.80 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 0.00 112 A 7.77 3.95 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 0.00 113 Y 7.87 3.67 0.00 2.67 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 0.00 0.00 0.00 114 F 8.17 5.05 0.00 3.25 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 0.00 115 P 0.00 4.39 0.00 2.21 2.19 0.00 3.74 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 2.00 1.92 0.00 116 A 8.13 4.20 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 0.00 117 E 8.28 4.17 0.00 2.11 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 2.32 2.40 0.00 118 F 8.17 4.64 0.00 3.15 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 0.00 119 T 7.29 4.16 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 1.26 0.00 0.00 120 P 0.00 4.19 0.00 2.13 2.12 0.00 3.57 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 2.11 2.19 0.00 121 E 7.98 3.89 0.00 2.02 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 2.43 0.00 122 I 7.37 3.63 1.82 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 1.38 0.94 1.02 0.00 0.00 123 H 7.92 3.52 0.00 2.19 3.11 0.00 5.63 0.00 0.00 0.00 0.00 6.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 8.26 3.88 0.00 1.76 1.90 0.92 1.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 125 S 8.03 4.38 0.00 4.10 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 0.00 126 V 8.51 3.95 2.50 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 1.50 0.00 0.00 1.44 0.00 0.00 127 D 8.87 4.44 0.00 3.05 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 0.00 128 K 8.31 3.98 0.00 2.09 1.92 0.00 1.75 0.00 0.00 1.88 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.66 7.81 129 F 8.52 4.31 0.00 3.04 3.38 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 0.00 130 L 8.51 3.54 0.00 1.68 1.62 1.12 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 131 Q 8.43 4.02 0.00 2.05 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.14 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.54 0.00 132 Q 8.16 3.90 0.00 2.35 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.15 6.76 0.00 0.00 0.00 0.00 0.00 2.49 2.45 0.00 133 L 7.89 3.57 0.00 1.25 1.41 0.45 0.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.08 3.79 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 135 L 7.81 3.97 0.00 1.77 1.94 1.09 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 0.00 0.00 0.00 0.00 0.00 0.00 136 A 7.73 3.39 0.49 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 0.00 0.00 137 L 7.80 3.82 0.00 1.06 0.69 0.04 0.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.19 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.77 4.55 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 0.00 139 E 8.02 4.17 0.00 2.27 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 2.54 2.53 0.00 140 K 8.37 4.54 0.00 1.78 1.78 0.00 1.84 0.00 0.00 1.75 0.00 0.00 3.00 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.43 1.54 7.81 141 Y 7.77 4.08 0.00 3.22 2.95 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 0.00 142 R 8.65 4.24 0.00 2.03 1.96 0.00 3.29 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.76 0.00