NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 11 S 4.3573 8.3344 115.2859 58.5400 63.5342 172.8244 12 C 4.4753 8.2789 119.4880 54.0297 45.4056 172.8306 13 T 4.2357 8.4450 119.9210 64.9779 69.9483 174.0770 14 H 3.6439 9.0604 112.3700 58.2188 27.7870 174.2643 15 F 4.2192 7.3575 118.2661 59.4398 36.2783 173.9820 16 P 4.3945 0.0000 0.0000 62.8275 31.8465 177.5984 17 G 4.8995 6.9146 123.2422 45.9576 0.0000 170.9330 18 N 4.9234 7.7801 121.9290 51.8859 41.2766 176.2274 19 L 3.9046 7.7988 118.1050 57.8343 41.7162 176.9332 20 P 4.0777 0.0000 0.0000 66.2900 31.0368 177.5622 21 N 4.2786 8.1271 117.0523 56.1869 38.7416 176.5274 22 M 4.1738 8.5300 120.4214 57.9734 31.9264 178.6831 23 L 4.0041 7.7284 119.0284 57.4786 41.9847 179.0591 24 R 3.8979 8.0852 118.7287 59.5729 29.9374 178.2693 25 D 4.4138 8.5124 119.1235 57.1438 40.7519 178.6311 26 L 3.9221 7.6305 120.5556 58.2337 42.1435 179.2344 27 R 4.0064 8.3581 118.3603 59.5353 29.8309 178.6799 28 D 4.3730 8.5041 117.3923 57.5507 40.8772 178.6706 29 A 4.1468 8.0785 120.4634 54.6112 18.5260 179.3424 30 F 4.4851 8.2094 119.8571 61.5528 39.7243 177.5502 31 S 3.5424 8.1556 113.2302 61.1696 62.5770 175.9486 32 R 4.2826 7.7291 117.2914 57.1025 30.2526 176.8973 33 V 4.4054 8.2662 110.0520 59.5129 33.8374 176.7976 34 K 3.2297 6.6802 119.7271 59.8729 31.6401 178.0883 35 T 3.8476 7.7316 114.5676 67.3698 68.6105 175.3980 36 F 3.7082 8.4372 120.7490 62.4435 39.0253 177.0759 37 F 4.3295 8.6947 116.6502 60.7273 38.7277 177.9145 38 Q 4.1330 8.4831 117.3536 58.8444 28.5719 178.2319 39 M 4.1763 8.4877 119.7120 58.2072 32.1355 178.2905 40 K 4.1669 7.8493 118.6862 58.2213 32.6823 176.0458 41 D 4.6401 8.1671 119.4100 53.5328 39.8489 175.0086 42 Q 4.5971 8.3756 126.1625 55.7221 29.3532 175.7919 43 L 4.8173 7.4000 116.8659 53.4079 43.9900 176.2785 44 D 4.9369 8.6145 120.2461 54.0039 41.4831 175.8550 45 N 4.7709 7.9237 116.4907 51.4033 38.8691 174.1661 46 L 4.2688 8.2390 122.3402 54.5815 43.1487 175.8513 47 L 4.2880 8.5195 127.9638 57.4882 42.9625 177.8580 48 L 4.3302 7.5221 118.5381 53.1834 39.5518 176.6921 49 K 3.8862 7.8333 120.9137 56.5576 33.1974 177.8686 50 E 3.9621 8.7300 121.4827 58.4603 29.4521 179.2312 51 S 4.0924 7.8989 114.0053 61.7050 63.0280 175.9128 52 L 3.8339 8.0102 124.1185 57.8416 41.7431 178.6446 53 L 3.6485 7.5463 119.6533 58.2751 41.7886 178.6933 54 E 4.0525 8.0118 117.2587 59.0853 29.6221 178.7865 55 D 4.5063 8.1587 119.4221 57.3070 40.7517 178.5549 56 F 4.3134 8.7038 117.7036 60.3414 38.9251 176.8509 57 K 4.6292 8.2947 116.1075 55.5070 32.3871 176.4541 58 G 4.1327 8.0382 110.1524 43.6123 0.0000 174.0685 59 Y 4.4732 8.1560 115.3205 57.8284 38.4054 176.5744 60 L 4.5795 7.4203 120.2351 54.5300 42.3180 177.9614 61 G 3.9243 7.8022 107.7601 48.0955 0.0000 174.6987 62 C 4.0091 8.2117 121.0266 59.4890 38.0656 175.4972 63 Q 3.7511 8.0779 119.9272 58.8955 28.5665 178.0521 64 A 3.9882 7.8549 122.0812 55.0419 18.5017 179.3931 65 L 3.4943 7.9448 119.1892 58.1166 42.0530 179.4154 66 S 4.1580 8.1819 115.3239 61.4067 62.7811 176.4991 67 E 4.0033 8.0857 120.9309 59.6962 29.2001 179.2559 68 M 4.2170 8.1367 118.6644 58.6701 32.1106 178.8683 69 I 3.8821 7.8852 119.8238 64.6648 37.1739 178.5830 70 Q 4.0692 8.3191 118.9224 58.6253 28.4273 178.2962 71 F 4.2414 8.7726 122.1500 61.6807 39.3754 176.9034 72 Y 3.6694 8.1334 116.2082 61.0714 37.5055 178.5354 73 L 4.0489 7.9113 118.3396 56.8753 41.7289 178.4049 74 E 4.4094 8.2054 117.4297 57.9469 30.8852 176.9576 75 E 4.2745 8.1226 117.9263 58.8493 30.3206 178.1375 76 V 3.3703 6.8432 117.5680 65.9639 31.5059 177.6864 77 M 4.0026 8.5799 117.5564 58.3155 31.8538 177.3206 78 P 4.2403 0.0000 0.0000 65.7168 31.5946 178.5817 79 Q 4.1666 8.1136 115.9455 57.8969 28.6631 178.5079 80 A 4.0906 7.9343 122.4445 55.2701 18.5224 179.5587 81 E 4.0504 7.9939 115.3167 58.9848 29.4585 179.0098 82 N 4.4503 7.5569 115.6403 56.7943 39.1763 176.5724 83 Q 4.4261 7.6825 117.4428 57.7633 29.5472 177.1600 84 D 4.8107 8.0235 126.0065 51.4375 41.9922 174.8511 85 P 4.4872 0.0000 0.0000 63.9295 31.4379 178.5503 86 D 4.3287 7.7167 119.8438 57.7386 40.9297 177.6974 87 I 3.7407 7.2141 110.2350 61.1335 38.3450 177.2769 88 K 3.9035 7.3965 121.6815 60.0597 31.6642 177.5968 89 A 3.9955 7.7709 120.6265 55.2074 18.4991 178.8905 90 H 4.1091 7.8985 113.4942 58.9947 28.8646 178.2220 91 V 3.6651 8.4938 120.3266 65.9496 31.3639 177.5755 92 N 4.3044 7.9472 116.7473 56.9397 38.7078 176.9802 93 S 4.1403 8.3622 116.6729 61.4780 62.8841 176.4383 94 L 4.0899 7.8071 123.3704 57.6236 41.6939 179.3462 95 G 3.5393 7.9094 105.9657 47.6857 0.0000 175.3863 96 E 3.9225 8.5038 122.5820 59.0013 29.1937 178.4486 97 N 4.3052 8.4766 117.1421 56.2604 38.9528 176.4557 98 L 3.8319 7.8772 121.8824 57.5655 42.1498 178.8688 99 K 4.0652 8.3339 118.8464 59.6088 31.8589 179.4861 100 T 3.8742 8.1698 116.1154 66.0803 68.0087 176.6430 101 L 3.9510 7.1270 121.5956 58.0307 42.4520 178.3778 102 R 4.0514 7.9727 118.5832 59.7001 30.1658 177.8186 103 L 3.9365 8.1282 118.7124 58.4154 41.5293 179.7094 104 R 4.1087 7.6862 117.2983 58.8992 30.0453 178.4220 105 L 4.5068 8.2199 119.6444 57.6512 41.7058 178.5674 106 R 4.4573 7.3206 110.3162 56.7039 29.2521 176.6778 107 R 4.5135 7.0894 116.8417 55.8982 31.1307 174.1904 108 C 4.4467 8.3399 116.6665 57.4642 46.5005 174.2785 109 H 3.9070 9.1688 120.0825 60.8803 27.0446 174.9858 110 R 3.5481 7.1214 118.4084 57.3496 28.6351 176.9059 111 F 4.4636 8.2285 118.4752 59.3801 39.8088 177.5035 112 L 4.8308 7.5452 120.0886 52.8104 42.6150 175.5853 113 P 4.7523 0.0000 0.0000 65.8213 31.9024 177.8416 114 C 4.9189 7.4288 111.8151 55.0437 41.0579 174.4094 115 E 4.4894 8.4325 116.2175 57.9036 34.2153 174.9734 116 N 4.7432 7.8320 117.4796 51.6139 39.7265 175.2917 117 K 4.2037 8.4712 122.2877 56.4012 32.2307 176.4229 118 S 4.7383 8.1956 114.1725 56.7353 64.7436 174.2794 119 K 3.7734 8.6783 128.7311 59.5588 31.9274 178.7986 120 A 3.9764 7.9935 120.0172 55.7115 18.4328 179.7465 121 V 3.8149 7.2688 112.7013 65.4115 31.4243 177.7516 122 E 4.0896 8.2599 119.3851 59.1698 29.6736 178.0670 123 Q 3.9801 7.9876 117.5159 59.2076 28.9483 179.1216 124 V 3.2441 8.3267 119.3044 65.8015 31.3835 178.2214 125 K 4.1044 7.6518 117.1096 59.1387 31.9600 179.0777 126 N 4.2595 8.6349 116.9398 56.3060 38.3152 177.0771 127 A 4.0457 8.5998 121.6415 55.9511 18.1739 178.7855 128 F 4.2815 8.4261 118.9617 60.8120 39.1317 176.6597 129 N 4.1869 8.3955 118.7922 56.3785 38.7241 176.6756 130 K 4.3049 7.9811 116.8737 57.2650 32.3039 177.5567 131 L 4.4476 9.3269 118.7200 54.1797 43.6636 177.5776 132 Q 4.2372 8.8689 116.1297 55.4752 25.6767 174.8491 133 E 3.7715 9.4837 128.3074 60.4665 29.4018 177.4377 134 K 4.2714 8.1242 117.8224 59.3944 32.1472 179.4519 135 G 3.3383 7.8674 105.6540 47.5312 0.0000 175.7720 136 I 3.3882 7.5806 121.8615 63.8153 36.8888 177.8936 137 Y 4.5207 7.1540 116.6233 60.4621 37.9047 177.8147 138 K 4.1750 8.2427 120.5670 58.5867 32.6441 178.4881 139 A 4.0489 7.8602 121.4319 55.1048 18.2526 179.5138 140 M 4.2552 7.6027 117.5152 58.3692 32.3552 178.2722 141 S 4.4410 8.4935 111.3806 59.3565 63.4852 174.7579 142 E 4.7859 7.7962 118.9522 56.1177 30.2162 177.2921 143 F 3.9752 8.2314 123.5831 61.4107 39.1898 176.8764 144 D 4.4145 8.1800 118.4232 56.4834 39.0904 178.5042 145 I 3.4778 7.4414 119.8944 64.0729 37.3254 177.3116 146 F 4.1568 8.0421 121.3410 61.5166 38.9969 176.8694 147 I 3.1215 7.7932 119.1560 64.6997 37.1573 178.1000 148 N 4.3215 7.9791 116.8538 56.5496 38.2986 177.1315 149 Y 4.4717 8.0676 118.5276 61.0037 37.8729 178.3741 150 I 3.6692 7.5675 120.2810 64.5089 37.2928 177.9304 151 E 3.9074 8.5443 120.0031 58.9150 29.0340 178.8874 152 A 3.9902 7.5966 119.8704 55.2536 18.8084 178.3488 153 Y 4.0376 8.3651 118.5252 61.1501 38.6891 178.4347 154 M 4.1162 8.5580 119.6753 58.8993 32.0988 178.8790 155 T 3.9032 7.7090 114.8664 66.0346 68.2959 175.1806 156 M 4.3949 7.2229 118.4401 55.8473 32.1438 176.1561 157 K 4.3300 7.9753 116.5528 57.8390 34.9141 177.2613 158 I 4.1257 7.6613 108.8596 61.5079 38.2770 175.6287 159 R 4.4904 7.9734 119.0260 55.9812 34.3725 174.6607 160 N 4.3110 7.7877 117.7143 52.5022 37.8656 174.4155 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 11 S 8.33 4.36 0.00 3.83 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 12 C 8.28 4.48 0.00 2.88 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 13 T 8.44 4.24 4.30 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 1.24 0.00 0.00 14 H 9.06 3.64 0.00 3.39 3.54 0.00 5.68 0.00 0.00 0.00 0.00 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 F 7.36 4.22 0.00 3.37 3.03 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 16 P 0.00 4.39 0.00 2.07 2.12 0.00 3.99 0.00 0.00 3.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.27 0.00 17 G 6.91 4.90 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 18 N 7.78 4.92 0.00 2.67 2.81 0.00 0.00 7.28 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 19 L 7.80 3.90 0.00 1.33 1.32 -0.51 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.42 0.00 0.00 0.00 0.00 0.00 0.00 20 P 0.00 4.08 0.00 2.21 2.27 0.00 3.52 0.00 0.00 3.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.02 2.01 0.00 21 N 8.13 4.28 0.00 2.83 2.83 0.00 0.00 7.09 7.65 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 22 M 8.53 4.17 0.00 2.00 2.12 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.55 0.00 23 L 7.73 4.00 0.00 1.81 1.67 0.87 0.82 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 24 R 8.09 3.90 0.00 1.87 2.10 0.00 3.09 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.67 0.00 25 D 8.51 4.41 0.00 2.87 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 26 L 7.63 3.92 0.00 1.88 1.84 0.92 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.42 0.00 0.00 0.00 0.00 0.00 0.00 27 R 8.36 4.01 0.00 1.89 2.03 0.00 3.22 0.00 0.00 3.19 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.84 0.00 28 D 8.50 4.37 0.00 2.83 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 29 A 8.08 4.15 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 30 F 8.21 4.49 0.00 3.07 3.28 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 31 S 8.16 3.54 0.00 3.95 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 32 R 7.73 4.28 0.00 1.90 1.84 0.00 3.10 0.00 0.00 3.39 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 1.58 0.00 33 V 8.27 4.41 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.95 0.00 0.00 1.12 0.00 0.00 34 K 6.68 3.23 0.00 0.97 1.56 0.00 1.55 0.00 0.00 1.58 0.00 0.00 3.17 0.00 0.00 3.18 0.00 0.00 0.00 0.00 1.36 1.36 7.81 35 T 7.73 3.85 4.24 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 1.19 0.00 0.00 36 F 8.44 3.71 0.00 2.98 2.85 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 37 F 8.69 4.33 0.00 3.37 3.24 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 38 Q 8.48 4.13 0.00 2.12 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.26 6.97 0.00 0.00 0.00 0.00 0.00 2.59 2.72 0.00 39 M 8.49 4.18 0.00 1.82 2.22 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.59 2.49 0.00 40 K 7.85 4.17 0.00 1.46 1.99 0.00 1.63 0.00 0.00 1.52 0.00 0.00 2.82 0.00 0.00 2.50 0.00 0.00 0.00 0.00 1.47 1.49 7.81 41 D 8.17 4.64 0.00 2.82 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 42 Q 8.38 4.60 0.00 2.08 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.88 6.53 0.00 0.00 0.00 0.00 0.00 2.29 2.30 0.00 43 L 7.40 4.82 0.00 1.67 1.73 0.94 0.93 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 44 D 8.61 4.94 0.00 2.64 2.65 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 45 N 7.92 4.77 0.00 2.83 2.81 0.00 0.00 6.12 7.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 L 8.24 4.27 0.00 1.60 1.60 0.92 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.53 0.00 0.00 0.00 0.00 0.00 0.00 47 L 8.52 4.29 0.00 1.66 1.68 0.97 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.95 0.00 0.00 0.00 0.00 0.00 0.00 48 L 7.52 4.33 0.00 1.64 1.56 0.99 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 49 K 7.83 3.89 0.00 1.72 1.72 0.00 1.67 0.00 0.00 1.80 0.00 0.00 2.86 0.00 0.00 3.03 0.00 0.00 0.00 0.00 1.71 1.36 7.81 50 E 8.73 3.96 0.00 1.99 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 0.00 2.34 2.34 0.00 51 S 7.90 4.09 0.00 4.05 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 52 L 8.01 3.83 0.00 1.62 1.48 0.98 0.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.75 0.00 0.00 0.00 0.00 0.00 0.00 53 L 7.55 3.65 0.00 1.63 1.79 0.88 0.95 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 54 E 8.01 4.05 0.00 2.11 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 2.54 2.48 0.00 55 D 8.16 4.51 0.00 3.07 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 56 F 8.70 4.31 0.00 3.06 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 57 K 8.29 4.63 0.00 1.75 1.87 0.00 1.83 0.00 0.00 1.74 0.00 0.00 3.07 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.51 1.67 7.81 58 G 8.04 4.13 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 0.00 0.00 0.00 59 Y 8.16 4.47 0.00 3.07 3.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 L 7.42 4.58 0.00 1.60 1.64 0.08 0.75 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 61 G 7.80 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 0.00 0.00 0.00 62 C 8.21 4.01 0.00 2.97 3.09 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 63 Q 8.08 3.75 0.00 2.19 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.70 0.00 0.00 0.00 0.00 0.00 2.42 2.66 0.00 64 A 7.85 3.99 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 65 L 7.94 3.49 0.00 1.12 1.58 0.89 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 66 S 8.18 4.16 0.00 3.90 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 E 8.09 4.00 0.00 2.25 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 2.34 2.68 0.00 68 M 8.14 4.22 0.00 2.35 2.41 0.00 0.00 0.00 0.00 0.00 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.98 3.09 0.00 69 I 7.89 3.88 2.07 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 1.61 1.02 0.97 0.00 0.00 70 Q 8.32 4.07 0.00 2.41 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.16 6.78 0.00 0.00 0.00 0.00 0.00 2.51 2.54 0.00 71 F 8.77 4.24 0.00 3.05 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 Y 8.13 3.67 0.00 3.05 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 73 L 7.91 4.05 0.00 1.67 1.75 0.95 0.99 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 74 E 8.21 4.41 0.00 2.08 1.98 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 2.27 2.41 0.00 75 E 8.12 4.27 0.00 1.68 1.77 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 2.28 2.34 0.00 76 V 6.84 3.37 1.80 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 1.04 0.00 0.00 -0.36 0.00 0.00 77 M 8.58 4.00 0.00 2.09 2.18 0.00 0.00 0.00 0.00 0.00 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.61 0.00 78 P 0.00 4.24 0.00 2.21 2.08 0.00 3.58 0.00 0.00 3.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.18 0.00 79 Q 8.11 4.17 0.00 2.30 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.84 0.00 0.00 0.00 0.00 0.00 2.37 2.43 0.00 80 A 7.93 4.09 1.48 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 0.00 0.00 81 E 7.99 4.05 0.00 1.99 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 0.00 2.38 2.60 0.00 82 N 7.56 4.45 0.00 3.02 3.09 0.00 0.00 7.21 6.96 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 83 Q 7.68 4.43 0.00 2.28 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.69 0.00 0.00 0.00 0.00 0.00 2.44 2.69 0.00 84 D 8.02 4.81 0.00 2.78 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 85 P 0.00 4.49 0.00 2.20 2.28 0.00 3.72 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 2.07 1.99 0.00 86 D 7.72 4.33 0.00 2.47 2.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 87 I 7.21 3.74 1.64 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 -0.22 0.21 0.00 0.00 88 K 7.40 3.90 0.00 1.80 1.93 0.00 1.62 0.00 0.00 1.63 0.00 0.00 2.93 0.00 0.00 3.30 0.00 0.00 0.00 0.00 1.55 1.64 7.81 89 A 7.77 4.00 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 90 H 7.90 4.11 0.00 3.24 3.34 0.00 5.64 0.00 0.00 0.00 0.00 6.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 91 V 8.49 3.67 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 1.08 0.00 0.00 1.19 0.00 0.00 92 N 7.95 4.30 0.00 3.10 2.93 0.00 0.00 7.27 8.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 S 8.36 4.14 0.00 4.06 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 94 L 7.81 4.09 0.00 1.76 1.89 0.99 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 95 G 7.91 3.54 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 0.00 96 E 8.50 3.92 0.00 2.07 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 2.31 2.36 0.00 97 N 8.48 4.31 0.00 3.12 2.92 0.00 0.00 6.86 7.14 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 98 L 7.88 3.83 0.00 1.85 1.87 0.92 0.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.46 0.00 0.00 0.00 0.00 0.00 0.00 99 K 8.33 4.07 0.00 1.98 1.84 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.06 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.47 1.48 7.81 100 T 8.17 3.87 4.24 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 1.22 0.00 0.00 101 L 7.13 3.95 0.00 1.50 1.93 0.85 0.90 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 0.00 102 R 7.97 4.05 0.00 1.95 2.07 0.00 3.35 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.71 0.00 103 L 8.13 3.94 0.00 1.89 1.74 0.93 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 0.00 0.00 0.00 0.00 0.00 0.00 104 R 7.69 4.11 0.00 1.95 2.10 0.00 3.35 0.00 0.00 3.29 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.81 2.29 0.00 105 L 8.22 4.51 0.00 1.94 1.81 0.93 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 0.00 0.00 0.00 0.00 0.00 0.00 106 R 7.32 4.46 0.00 2.03 2.06 0.00 3.01 0.00 0.00 3.24 7.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 1.75 0.00 107 R 7.09 4.51 0.00 1.73 1.83 0.00 3.20 0.00 0.00 3.27 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.58 0.00 108 C 8.34 4.45 0.00 1.99 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 0.00 0.00 0.00 109 H 9.17 3.91 0.00 3.54 4.26 0.00 6.04 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 110 R 7.12 3.55 0.00 1.91 2.12 0.00 2.96 0.00 0.00 3.09 7.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 1.27 0.00 111 F 8.23 4.46 0.00 3.46 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 0.00 112 L 7.55 4.83 0.00 1.82 1.72 1.06 1.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 0.00 0.00 0.00 0.00 113 P 0.00 4.75 0.00 2.18 2.11 0.00 3.60 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 2.09 2.08 0.00 114 C 7.43 4.92 0.00 3.14 3.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 115 E 8.43 4.49 0.00 2.05 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 2.26 2.29 0.00 116 N 7.83 4.74 0.00 2.86 2.75 0.00 0.00 7.02 7.61 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 0.00 117 K 8.47 4.20 0.00 1.74 1.75 0.00 1.73 0.00 0.00 1.63 0.00 0.00 2.96 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.44 1.37 7.81 118 S 8.20 4.74 0.00 3.87 3.70 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 0.00 0.00 0.00 0.00 119 K 8.68 3.77 0.00 1.83 1.82 0.00 1.74 0.00 0.00 1.81 0.00 0.00 2.94 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.53 1.51 7.81 120 A 7.99 3.98 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 121 V 7.27 3.81 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 0.98 0.00 0.00 0.93 0.00 0.00 122 E 8.26 4.09 0.00 2.25 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 0.00 2.27 2.38 0.00 123 Q 7.99 3.98 0.00 2.27 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.66 0.00 0.00 0.00 0.00 0.00 2.46 2.43 0.00 124 V 8.33 3.24 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 1.06 0.00 0.00 0.98 0.00 0.00 125 K 7.65 4.10 0.00 2.10 1.79 0.00 1.70 0.00 0.00 1.61 0.00 0.00 2.94 0.00 0.00 2.91 0.00 0.00 0.00 0.00 1.47 1.77 7.81 126 N 8.63 4.26 0.00 2.84 2.86 0.00 0.00 6.88 7.52 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 0.00 127 A 8.60 4.05 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 0.00 128 F 8.43 4.28 0.00 3.11 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 N 8.40 4.19 0.00 2.62 2.77 0.00 0.00 7.24 7.42 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 0.00 130 K 7.98 4.30 0.00 2.02 1.87 0.00 1.69 0.00 0.00 1.71 0.00 0.00 3.08 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.48 1.60 7.81 131 L 9.33 4.45 0.00 1.86 1.76 0.91 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 0.00 0.00 0.00 0.00 0.00 0.00 132 Q 8.87 4.24 0.00 2.26 1.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.08 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 133 E 9.48 3.77 0.00 2.01 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 2.34 2.35 0.00 134 K 8.12 4.27 0.00 1.91 1.87 0.00 1.66 0.00 0.00 1.88 0.00 0.00 3.09 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.57 1.65 7.81 135 G 7.87 3.34 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 0.00 136 I 7.58 3.39 1.47 0.00 0.00 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.12 0.76 0.00 0.00 137 Y 7.15 4.52 0.00 3.24 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 138 K 8.24 4.18 0.00 1.76 1.76 0.00 1.63 0.00 0.00 1.62 0.00 0.00 3.07 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.49 1.31 7.81 139 A 7.86 4.05 1.07 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 0.00 0.00 140 M 7.60 4.26 0.00 2.06 2.18 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 2.63 2.73 0.00 141 S 8.49 4.44 0.00 4.01 4.14 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 0.00 142 E 7.80 4.79 0.00 2.11 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 2.20 2.38 0.00 143 F 8.23 3.98 0.00 3.44 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 0.00 144 D 8.18 4.41 0.00 2.92 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 0.00 145 I 7.44 3.48 1.76 0.00 0.00 0.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.45 0.25 0.00 0.00 146 F 8.04 4.16 0.00 2.70 2.57 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 0.00 147 I 7.79 3.12 1.88 0.00 0.00 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.22 0.47 0.81 0.00 0.00 148 N 7.98 4.32 0.00 2.79 2.85 0.00 0.00 7.03 7.03 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 0.00 149 Y 8.07 4.47 0.00 3.12 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 0.00 150 I 7.57 3.67 1.73 0.00 0.00 -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 1.24 0.27 0.78 0.00 0.00 151 E 8.54 3.91 0.00 2.06 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 2.31 2.33 0.00 152 A 7.60 3.99 1.49 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 0.00 153 Y 8.37 4.04 0.00 3.04 3.19 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 0.00 0.00 0.00 154 M 8.56 4.12 0.00 2.12 2.27 0.00 0.00 0.00 0.00 0.00 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.87 2.69 0.00 155 T 7.71 3.90 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 1.19 0.00 0.00 156 M 7.22 4.39 0.00 1.65 1.89 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.46 0.00 157 K 7.98 4.33 0.00 1.67 1.69 0.00 1.55 0.00 0.00 1.74 0.00 0.00 2.90 0.00 0.00 2.67 0.00 0.00 0.00 0.00 1.15 1.33 7.81 158 I 7.66 4.13 1.86 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 1.55 0.53 0.90 0.00 0.00 159 R 7.97 4.49 0.00 1.84 1.79 0.00 3.33 0.00 0.00 3.20 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.72 0.00 160 N 7.79 4.31 0.00 2.72 2.78 0.00 0.00 6.83 7.56 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