NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 S 4.5346 8.3349 116.8056 58.0549 64.3206 173.3315 2 L 4.1728 8.3329 124.1186 52.8210 42.3406 176.3028 3 S 4.5059 9.2784 120.1615 57.4605 66.3876 174.9743 4 A 3.9410 8.4741 123.8264 55.2958 17.9161 179.8914 5 K 3.8528 7.9747 117.5115 59.6770 32.3067 178.5004 6 D 4.6085 8.0503 120.4507 56.8440 40.7203 179.0467 7 K 3.8204 8.2310 118.6691 59.3438 31.9908 179.2777 8 A 3.9462 8.2081 121.2139 55.2057 18.3063 179.4601 9 N 4.2809 8.3800 115.1611 56.3497 38.5389 177.8459 10 V 3.7054 7.9365 119.6824 66.0577 31.7303 178.2234 11 K 3.9122 8.1740 118.1167 59.2515 31.3534 179.2120 12 A 3.9612 8.1906 121.0842 55.3585 18.4066 179.6491 13 I 3.8232 7.9696 117.0610 63.8764 37.9608 178.0780 14 W 3.8793 8.8309 120.1802 59.1793 28.5300 178.5846 15 G 3.5851 7.6963 104.9106 47.5346 0.0000 175.6314 16 K 3.8591 6.9205 120.3264 59.0447 32.2052 179.2323 17 I 3.7098 7.0469 120.0629 64.0568 36.9186 178.3044 18 L 3.9752 8.0121 120.1882 57.5534 41.3399 177.9053 19 P 4.4605 0.0000 0.0000 64.2601 31.3370 177.1097 20 K 4.5470 7.9337 117.0756 55.8947 33.1194 177.9032 21 S 4.0083 8.1226 116.2430 61.8107 62.1293 175.9599 22 D 4.3192 7.9846 120.8297 57.3764 40.5638 178.2962 23 E 3.8694 7.9773 119.2855 59.2875 29.6321 178.7381 24 I 3.4563 7.8713 120.3045 63.9850 36.9951 178.6883 25 G 3.5808 8.1753 106.9413 47.7359 0.0000 175.6398 26 E 3.9709 8.1175 120.5539 59.1241 29.6172 179.1850 27 Q 3.9754 8.3010 118.9758 58.6129 28.7838 178.7576 28 A 3.9925 8.2716 122.0360 55.0399 18.4746 179.4728 29 L 3.9209 8.1419 119.0245 58.3881 42.2243 179.1480 30 S 4.1734 8.3748 115.4484 61.9536 62.7514 177.1223 31 R 4.0094 8.1559 120.5570 59.1561 29.7840 178.5412 32 M 4.1801 8.2600 118.1704 58.9157 32.1023 178.3563 33 L 4.1042 7.9983 120.1743 57.2667 41.5795 179.7117 34 V 3.6682 7.6965 116.9058 65.7892 31.6892 177.9007 35 V 3.7543 8.1560 117.1073 64.1588 32.9406 175.6258 36 Y 4.6995 7.8657 115.9228 55.0262 37.9722 174.3619 37 P 4.6956 0.0000 0.0000 64.2157 31.3433 178.0986 38 Q 4.0339 8.3992 118.2197 59.9992 28.0645 178.8400 39 T 4.3334 8.4899 110.8946 63.8711 69.0394 176.7067 40 K 4.3048 8.2711 121.4438 58.9312 31.7535 178.5326 41 A 3.8346 7.3751 119.8481 54.7224 18.1707 178.1450 42 Y 4.2435 7.1659 112.6152 57.9518 38.5498 176.0269 43 F 4.2865 7.7379 118.3980 56.7091 40.2346 177.0257 44 S 4.2859 8.1024 117.1115 60.8388 62.8637 174.6726 45 H 4.5886 8.1010 115.0749 56.3601 27.6665 175.6189 46 W 4.6130 7.9075 121.1295 56.2435 29.5501 177.2246 47 A 4.3396 8.5922 123.6528 55.1326 18.1639 177.9410 48 S 4.7201 7.4552 106.5251 57.8216 65.5306 174.3786 49 V 4.5937 8.3739 117.9361 61.0154 32.5102 175.7234 50 A 4.2321 8.0695 123.9406 50.9614 18.8422 176.3784 51 P 4.8611 0.0000 0.0000 63.5952 31.7235 177.3152 52 G 3.9259 8.6268 110.5838 46.0218 0.0000 174.4937 53 S 4.3535 7.8499 115.2577 57.5401 65.1347 174.9274 54 A 3.8978 8.4035 124.1617 55.1279 18.0943 178.3764 55 P 3.7086 0.0000 0.0000 65.2770 31.2224 179.1148 56 V 3.4926 7.1764 116.8326 65.7576 31.5771 178.2545 57 K 3.8952 8.2711 118.7063 59.2154 32.0087 179.2728 58 K 3.8440 7.9318 119.8044 59.8973 32.1077 178.4786 59 H 4.4000 8.2062 118.6269 58.8859 29.7312 177.2766 60 G 3.6554 8.4128 108.2248 47.8228 0.0000 175.7307 61 I 3.7244 7.6435 121.5151 64.3891 37.0089 178.4266 62 T 3.8733 7.7103 116.1853 66.8094 68.2883 176.5789 63 I 3.7252 7.8586 121.5001 64.8763 37.1627 178.5850 64 M 4.1972 8.2249 119.4413 58.3062 31.7242 178.5073 65 N 4.3552 8.6640 117.2931 56.4060 38.7329 177.1967 66 Q 4.0257 7.9274 120.9126 59.3453 29.0857 178.3206 67 I 3.8096 8.0718 120.9602 64.3825 36.9086 177.9196 68 D 4.5252 8.7747 119.2642 57.8843 41.0421 178.5926 69 D 4.5066 8.3072 119.0674 57.4953 40.7269 178.5480 70 C 4.1230 8.2513 117.3851 62.7765 27.8658 176.2627 71 V 3.0515 7.2171 119.3648 65.1658 30.9999 177.3277 72 G 3.7652 7.4255 102.9188 44.9581 0.0000 173.2267 73 H 4.8089 7.9297 118.5600 55.5825 29.9698 175.4350 74 M 4.2468 8.0763 120.2142 57.7669 32.0052 177.5737 75 D 4.5451 7.9207 117.4667 56.4538 41.9731 176.5903 76 D 4.8756 7.8973 118.2790 52.1787 42.5903 175.0831 77 L 4.1158 8.0955 125.0619 57.8200 42.4402 177.8817 78 F 4.0802 8.4186 116.7623 60.4192 39.2254 177.3703 79 G 3.8544 8.5982 105.3980 48.7768 0.0000 175.4646 80 F 4.3151 8.1304 122.0781 60.3250 39.5568 176.1604 81 L 4.2511 7.7372 116.3182 54.5855 41.5481 178.2354 82 T 3.8830 7.5639 118.1272 66.7501 68.4620 176.4731 83 K 4.0540 7.8425 120.0432 59.8434 32.7692 178.8129 84 L 3.9276 7.6950 121.0894 57.5782 42.0524 178.6550 85 S 4.2932 8.2595 114.9986 60.9698 62.3462 175.8908 86 E 3.8477 8.0862 121.8279 58.8553 29.2778 178.5199 87 L 3.8646 8.0029 120.5797 58.5619 42.2270 178.7556 88 H 4.1559 8.3645 115.8826 58.6161 28.4105 177.8329 89 A 3.0880 7.8493 122.5595 54.8102 17.8961 179.2924 90 T 4.0993 7.5540 112.0988 65.2963 69.5275 177.0772 91 K 4.0469 7.7606 119.7725 59.2182 32.6217 178.1081 92 L 4.2244 7.7964 116.7419 54.0167 43.0040 176.7257 93 R 3.9199 7.8372 115.9584 55.7194 27.5547 176.5094 94 V 3.4797 7.7257 116.1832 61.3115 32.8280 174.8488 95 D 4.3314 8.8289 127.6724 53.7376 41.5777 175.1808 96 P 2.9700 0.0000 0.0000 64.6479 30.9392 178.2448 97 T 3.7762 7.8186 110.1994 64.7474 68.5527 175.9171 98 N 4.3207 7.7549 119.2789 55.7521 38.4259 177.1356 99 F 4.5024 7.3259 119.4181 60.6786 38.9833 177.7120 100 K 4.0531 7.6872 118.0146 59.2710 31.8052 179.5863 101 I 3.4420 7.4933 120.0159 64.0989 36.9543 178.0427 102 L 3.9331 7.9443 120.4770 58.0683 41.9426 178.5438 103 A 3.9830 7.9571 120.6447 55.5316 18.3037 178.9827 104 H 4.1014 8.2473 116.5324 59.6994 29.9392 177.2489 105 N 4.3369 8.1098 118.0454 56.0548 38.2370 177.1779 106 L 3.9448 8.1863 122.0136 58.1426 42.2044 179.0499 107 I 3.5702 7.8637 119.7392 64.3657 37.0920 178.4772 108 V 3.5204 7.7752 119.0115 65.9748 31.3356 178.2720 109 V 3.6292 7.8335 117.8479 66.0598 31.3530 177.9651 110 I 3.6100 7.8453 119.6814 64.2682 36.6325 178.1463 111 A 3.8409 7.1785 120.0689 55.1842 18.2735 179.2642 112 A 3.9417 7.7741 118.0039 55.2728 18.4792 178.9460 113 Y 3.6457 7.7363 113.9610 58.9743 39.5783 176.0816 114 F 5.1068 8.0452 117.7880 55.4214 39.7421 173.8926 115 P 4.3864 0.0000 0.0000 65.8300 31.8769 178.4697 116 A 4.2058 8.0694 120.7726 54.7665 18.5839 178.2842 117 E 4.1804 8.2710 114.2338 58.8634 30.4451 177.4693 118 F 4.6411 8.1802 123.1194 57.1191 38.0182 175.0315 119 T 4.1448 7.2994 115.2126 60.7360 71.2550 173.3645 120 P 4.1625 0.0000 0.0000 65.8630 31.3552 178.8494 121 E 3.9159 8.0091 116.8402 59.2907 29.3547 179.2901 122 I 3.6669 7.4647 119.3739 64.5430 37.1381 177.6620 123 H 3.6120 7.8238 119.4585 59.1379 29.4408 176.7126 124 L 3.9218 7.9834 121.9431 58.4885 41.8148 179.2201 125 S 4.2802 7.9571 114.5180 61.5597 62.6945 176.8650 126 V 3.9393 8.2837 121.2737 66.1453 31.2720 177.5889 127 D 4.4615 8.7617 118.2398 57.3357 41.1115 178.3235 128 K 3.9917 8.4010 119.1581 59.3428 31.9733 178.9509 129 F 4.3144 8.5693 121.0434 61.6300 39.2902 177.3244 130 L 3.4982 8.3253 118.7286 57.4841 41.3173 179.6019 131 Q 3.9544 8.3382 118.6154 58.8569 28.5514 178.3818 132 Q 3.9200 8.1153 120.6873 58.8867 29.0450 177.9254 133 L 3.5911 7.8760 121.4762 58.0103 42.1587 178.7699 134 A 3.7736 8.0385 120.9279 55.2184 18.0730 179.6537 135 L 3.9831 7.7560 116.1714 57.7754 41.8607 179.2422 136 A 3.5029 7.6683 121.0494 54.9055 17.7698 179.7197 137 L 3.8165 7.8821 117.1100 57.0860 41.6671 178.6798 138 A 4.5065 7.7870 119.2052 52.9841 18.7374 178.7290 139 E 4.1494 7.9222 117.6838 58.4452 29.7229 177.3159 140 K 4.5620 8.0280 116.3333 56.2854 32.3409 175.9352 141 Y 4.1259 7.9905 116.8379 58.4309 38.6747 176.0307 142 R 4.2401 8.6062 120.8335 56.9477 30.2453 176.2471 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 4.53 0.00 3.91 3.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2 L 8.33 4.17 0.00 1.74 1.61 1.00 0.72 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 3 S 9.28 4.51 0.00 4.06 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 4 A 8.47 3.94 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 7.97 3.85 0.00 1.83 1.81 0.00 1.73 0.00 0.00 1.81 0.00 0.00 2.95 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.50 1.52 7.81 6 D 8.05 4.61 0.00 3.01 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 8.23 3.82 0.00 1.89 1.76 0.00 1.63 0.00 0.00 1.59 0.00 0.00 3.11 0.00 0.00 3.15 0.00 0.00 0.00 0.00 1.37 1.55 7.81 8 A 8.21 3.95 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 9 N 8.38 4.28 0.00 2.93 2.91 0.00 0.00 6.67 7.73 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 10 V 7.94 3.71 1.91 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 0.18 0.00 0.00 0.92 0.00 0.00 11 K 8.17 3.91 0.00 1.91 1.81 0.00 1.64 0.00 0.00 1.57 0.00 0.00 2.81 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.40 7.81 12 A 8.19 3.96 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 13 I 7.97 3.82 1.98 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 1.69 1.04 1.27 0.00 0.00 14 W 8.83 3.88 0.00 3.58 3.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 G 7.70 3.59 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 K 6.92 3.86 0.00 0.93 0.74 0.00 1.56 0.00 0.00 1.60 0.00 0.00 3.16 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.19 1.24 7.81 17 I 7.05 3.71 0.91 0.00 0.00 -0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.20 0.34 0.00 0.00 18 L 8.01 3.98 0.00 1.68 1.76 1.06 1.27 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 19 P 0.00 4.46 0.00 2.04 2.13 0.00 3.64 0.00 0.00 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.17 0.00 20 K 7.93 4.55 0.00 1.76 1.58 0.00 1.71 0.00 0.00 1.59 0.00 0.00 2.98 0.00 0.00 3.09 0.00 0.00 0.00 0.00 1.35 1.41 7.81 21 S 8.12 4.01 0.00 4.02 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 7.98 4.32 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 7.98 3.87 0.00 1.96 1.89 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 2.17 2.36 0.00 24 I 7.87 3.46 1.85 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 0.78 0.04 0.74 0.00 0.00 25 G 8.18 3.58 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 0.00 26 E 8.12 3.97 0.00 2.25 2.30 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 2.27 2.58 0.00 27 Q 8.30 3.98 0.00 2.18 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 2.49 2.67 0.00 28 A 8.27 3.99 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 8.14 3.92 0.00 1.80 1.80 0.85 1.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 30 S 8.37 4.17 0.00 4.08 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 8.16 4.01 0.00 1.94 2.19 0.00 3.27 0.00 0.00 3.13 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.74 0.00 32 M 8.26 4.18 0.00 2.28 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 2.66 2.71 0.00 33 L 8.00 4.10 0.00 1.90 1.72 0.91 0.23 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 34 V 7.70 3.67 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 0.79 0.00 0.00 0.99 0.00 0.00 35 V 8.16 3.75 2.30 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 0.47 0.00 0.00 1.00 0.00 0.00 36 Y 7.87 4.70 0.00 3.22 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 37 P 0.00 4.70 0.00 2.27 2.32 0.00 3.90 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 1.87 0.00 38 Q 8.40 4.03 0.00 2.34 2.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.96 0.00 0.00 0.00 0.00 0.00 2.73 2.55 0.00 39 T 8.49 4.33 4.52 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 1.47 0.00 0.00 40 K 8.27 4.30 0.00 2.01 1.95 0.00 1.71 0.00 0.00 1.68 0.00 0.00 2.97 0.00 0.00 3.36 0.00 0.00 0.00 0.00 1.52 1.63 7.81 41 A 7.38 3.83 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 Y 7.17 4.24 0.00 1.96 2.30 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 43 F 7.74 4.29 0.00 2.71 1.89 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 44 S 8.10 4.29 0.00 3.97 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 45 H 8.10 4.59 0.00 3.38 3.46 0.00 5.52 0.00 0.00 0.00 0.00 7.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 W 7.91 4.61 0.00 3.56 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 47 A 8.59 4.34 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 7.46 4.72 0.00 3.85 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 8.37 4.59 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 0.92 0.00 0.00 1.00 0.00 0.00 50 A 8.07 4.23 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 4.86 0.00 2.06 2.04 0.00 3.82 0.00 0.00 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.05 2.08 0.00 52 G 8.63 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 7.85 4.35 0.00 4.07 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 54 A 8.40 3.90 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 3.71 0.00 1.88 1.27 0.00 3.51 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 1.96 0.00 56 V 7.18 3.49 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 1.15 0.00 0.00 1.11 0.00 0.00 57 K 8.27 3.90 0.00 1.87 1.79 0.00 1.69 0.00 0.00 1.54 0.00 0.00 2.87 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.43 1.66 7.81 58 K 7.93 3.84 0.00 1.78 1.72 0.00 1.53 0.00 0.00 1.42 0.00 0.00 2.86 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.36 1.38 7.81 59 H 8.21 4.40 0.00 3.15 3.34 0.00 5.85 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 8.41 3.66 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 0.00 0.00 0.00 61 I 7.64 3.72 2.04 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 1.69 0.67 0.91 0.00 0.00 62 T 7.71 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 7.86 3.73 2.00 0.00 0.00 0.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.54 0.95 0.00 0.00 64 M 8.22 4.20 0.00 2.10 2.24 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 2.84 2.75 0.00 65 N 8.66 4.36 0.00 2.93 2.92 0.00 0.00 6.60 7.16 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 66 Q 7.93 4.03 0.00 2.13 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.32 2.46 0.00 67 I 8.07 3.81 2.08 0.00 0.00 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.79 1.12 0.00 0.00 68 D 8.77 4.53 0.00 2.90 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 4.51 0.00 3.12 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 C 8.25 4.12 0.00 3.36 3.20 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 71 V 7.22 3.05 1.81 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 0.39 0.00 0.00 -0.51 0.00 0.00 72 G 7.43 3.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 H 7.93 4.81 0.00 2.55 2.91 0.00 5.62 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 74 M 8.08 4.25 0.00 1.92 1.99 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.43 2.35 0.00 75 D 7.92 4.55 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 7.90 4.88 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 77 L 8.10 4.12 0.00 1.77 1.49 1.03 1.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 0.00 0.00 0.00 0.00 0.00 0.00 78 F 8.42 4.08 0.00 3.06 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 79 G 8.60 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 F 8.13 4.32 0.00 3.01 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 81 L 7.74 4.25 0.00 1.68 1.49 0.75 0.57 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 82 T 7.56 3.88 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 1.22 0.00 0.00 83 K 7.84 4.05 0.00 1.92 2.01 0.00 1.43 0.00 0.00 1.67 0.00 0.00 2.81 0.00 0.00 2.84 0.00 0.00 0.00 0.00 1.38 1.35 7.81 84 L 7.69 3.93 0.00 1.63 1.68 0.94 0.82 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 85 S 8.26 4.29 0.00 4.11 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 86 E 8.09 3.85 0.00 2.10 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 2.26 2.30 0.00 87 L 8.00 3.86 0.00 1.87 1.82 0.89 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 88 H 8.36 4.16 0.00 3.48 3.72 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 89 A 7.85 3.09 0.24 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 90 T 7.55 4.10 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 1.16 0.00 0.00 91 K 7.76 4.05 0.00 1.70 1.99 0.00 1.73 0.00 0.00 1.67 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.38 1.49 7.81 92 L 7.80 4.22 0.00 1.76 1.60 0.72 0.94 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 93 R 7.84 3.92 0.00 1.94 2.00 0.00 3.25 0.00 0.00 3.82 7.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.54 0.00 94 V 7.73 3.48 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 0.10 0.00 0.00 0.45 0.00 0.00 95 D 8.83 4.33 0.00 2.79 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 1.83 1.23 0.00 3.53 0.00 0.00 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.25 0.00 97 T 7.82 3.78 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 1.17 0.00 0.00 98 N 7.75 4.32 0.00 2.55 2.86 0.00 0.00 6.84 8.29 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 99 F 7.33 4.50 0.00 3.01 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 0.00 100 K 7.69 4.05 0.00 1.74 1.84 0.00 1.65 0.00 0.00 1.63 0.00 0.00 2.98 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.67 1.49 7.81 101 I 7.49 3.44 1.89 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 1.15 0.90 0.35 0.00 0.00 102 L 7.94 3.93 0.00 1.83 1.88 0.97 1.05 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 7.96 3.98 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 0.00 104 H 8.25 4.10 0.00 3.25 3.38 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 8.11 4.34 0.00 2.95 2.99 0.00 0.00 6.70 6.66 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 0.00 106 L 8.19 3.94 0.00 1.78 1.87 0.90 1.18 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 0.00 107 I 7.86 3.57 2.06 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.93 1.02 0.00 0.00 108 V 7.78 3.52 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 7.83 3.63 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 1.02 0.00 0.00 110 I 7.85 3.61 1.18 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.34 0.62 0.00 0.00 111 A 7.18 3.84 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 3.94 1.22 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 0.00 0.00 0.00 113 Y 7.74 3.65 0.00 2.52 1.81 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 0.00 114 F 8.05 5.11 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 2.20 2.19 0.00 3.82 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 2.00 1.93 0.00 116 A 8.07 4.21 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 8.27 4.18 0.00 2.10 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 0.00 2.32 2.40 0.00 118 F 8.18 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 7.30 4.14 4.21 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 1.27 0.00 0.00 120 P 0.00 4.16 0.00 2.13 2.10 0.00 3.56 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 2.10 2.17 0.00 121 E 8.01 3.92 0.00 1.97 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 2.37 0.00 122 I 7.46 3.67 1.81 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 1.38 1.12 1.05 0.00 0.00 123 H 7.82 3.61 0.00 2.06 3.19 0.00 5.61 0.00 0.00 0.00 0.00 6.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 L 7.98 3.92 0.00 1.80 1.81 0.92 1.24 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 0.00 125 S 7.96 4.28 0.00 4.12 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 0.00 126 V 8.28 3.94 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 1.53 0.00 0.00 1.42 0.00 0.00 127 D 8.76 4.46 0.00 3.06 2.88 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 0.00 128 K 8.40 3.99 0.00 2.08 1.92 0.00 1.76 0.00 0.00 1.86 0.00 0.00 2.94 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.51 1.65 7.81 129 F 8.57 4.31 0.00 3.00 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 0.00 130 L 8.33 3.50 0.00 1.69 1.61 1.08 0.60 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 0.00 131 Q 8.34 3.95 0.00 2.20 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.11 6.81 0.00 0.00 0.00 0.00 0.00 2.69 2.53 0.00 132 Q 8.12 3.92 0.00 2.34 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.17 6.80 0.00 0.00 0.00 0.00 0.00 2.42 2.36 0.00 133 L 7.88 3.59 0.00 1.29 1.41 0.51 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.44 0.00 0.00 0.00 0.00 0.00 0.00 134 A 8.04 3.77 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 7.76 3.98 0.00 1.78 1.95 1.03 0.75 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 0.00 136 A 7.67 3.50 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 137 L 7.88 3.82 0.00 1.11 0.70 0.08 0.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 138 A 7.79 4.51 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 0.00 139 E 7.92 4.15 0.00 2.39 2.30 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 2.60 2.54 0.00 140 K 8.03 4.56 0.00 1.80 1.80 0.00 1.83 0.00 0.00 1.75 0.00 0.00 2.98 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.46 1.55 7.81 141 Y 7.99 4.13 0.00 3.20 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 0.00 142 R 8.61 4.24 0.00 2.03 1.97 0.00 3.29 0.00 0.00 3.33 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.77 0.00