NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 23 L 4.3135 8.1844 120.6286 54.8021 42.9493 175.1644 24 S 4.3492 8.2939 112.3970 56.9370 62.4343 172.9030 25 S 4.3777 8.5940 113.6123 57.2638 64.5625 173.7463 26 K 3.7386 8.3548 121.0672 58.9340 31.8742 176.6707 27 Y 4.9028 7.5821 114.0348 56.1260 42.0812 173.9128 28 S 4.9268 8.5907 114.8383 56.0942 66.1152 175.4609 29 R 4.0501 8.5281 119.0726 59.2864 29.8165 178.3926 30 N 4.6425 7.6976 112.8322 54.0756 39.2097 175.5243 31 T 4.0177 7.8373 117.4936 63.1790 69.0743 173.9215 32 E 4.4305 8.5657 126.0947 55.8645 30.5790 177.9067 33 L 3.8062 8.5776 123.3170 57.8413 41.8216 179.9625 34 R 4.0006 7.7356 113.3698 58.3005 29.5682 177.4588 35 R 4.1900 7.6951 116.7594 56.9850 30.6741 177.0726 36 V 3.2635 6.9897 118.2279 61.7139 32.2111 175.2806 37 E 3.9871 8.8237 127.4157 56.4323 30.2993 176.9862 38 D 4.4105 9.0805 125.1206 57.9892 41.2239 178.3486 39 N 4.5070 8.1832 116.6123 56.6013 39.1288 176.5572 40 D 4.6836 8.2617 120.6614 57.5048 40.9652 178.7076 41 I 4.0133 7.8875 119.9200 64.5290 37.1345 177.6828 42 Y 4.2003 8.2269 120.5283 60.7812 38.1986 178.3345 43 R 3.7045 8.1147 118.6441 58.9499 30.1556 178.8021 44 L 3.6046 7.9464 119.5352 57.8436 42.0942 178.7117 45 A 3.9482 8.2402 121.1402 55.3441 18.0979 179.7994 46 K 3.8591 7.3544 115.3935 59.4160 32.1278 179.4911 47 I 3.7593 7.1272 118.9573 64.3789 37.0777 178.4670 48 L 4.1070 7.9285 119.2518 57.3554 41.5206 179.2096 49 D 4.5929 8.1976 119.4680 56.0299 41.0802 176.6192 50 E 4.2053 7.6603 120.1289 57.6764 29.8421 176.7355 51 N 4.1580 9.3038 119.0305 53.8689 36.6110 174.0337 52 S 3.8464 7.9451 111.0856 59.4859 61.4420 174.5664 53 C 4.1425 7.8960 118.7327 62.0312 27.7096 175.3211 54 W 4.2677 7.9942 118.5302 59.5955 27.5078 178.5707 55 R 3.2123 6.5318 118.5357 58.6528 29.0958 179.1198 56 K 3.8051 7.4235 116.7899 59.1383 32.5197 178.7781 57 L 3.9691 7.6472 120.1628 58.4114 41.9295 178.5502 58 M 3.8428 8.1890 118.4464 58.9025 31.8701 178.3714 59 S 4.2044 7.9532 114.4070 60.3589 63.0141 174.9689 60 I 4.3081 7.0978 112.2398 60.3666 38.0593 175.4046 61 I 3.8974 7.4555 122.3590 61.2243 37.5348 173.9873 62 P 4.6101 0.0000 0.0000 62.4361 31.9889 176.1567 63 K 4.1190 8.7988 124.9548 55.7752 33.3533 176.5392 64 G 3.9555 8.4259 112.8311 46.8522 0.0000 173.6677 65 M 4.4595 7.2599 119.0546 54.7157 33.3989 177.4463 66 D 4.6084 8.3050 122.4624 52.2696 40.3207 176.6186 67 V 3.6070 8.1885 122.6719 65.9564 31.6045 177.1730 68 Q 3.9971 8.0322 115.1851 59.0289 28.7124 178.3802 69 A 4.1524 8.1077 120.0638 54.6928 18.6192 178.4026 70 C 4.6805 7.7615 114.3922 60.2139 28.6299 175.7564 71 S 4.4141 8.0107 117.7555 60.4342 62.6026 174.9358 72 G 3.6799 7.5374 109.2682 44.9256 0.0000 172.2834 73 A 4.1755 8.4415 123.4638 53.3104 18.5928 178.0820 74 G 3.9621 8.9807 110.5345 46.5415 0.0000 173.9476 75 C 4.2785 8.1780 117.6928 59.9396 28.6805 173.1103 76 L 4.4998 7.9352 122.0418 53.4879 40.6428 175.4112 77 N 4.6440 8.3131 124.0224 52.0842 38.9851 174.3052 78 F 4.1522 8.7997 130.2045 61.0342 39.3928 174.8564 79 P 4.1259 0.0000 0.0000 65.4698 31.1931 178.1927 80 A 4.0734 8.2271 119.5749 55.2107 17.8348 179.5950 81 E 3.8514 8.4066 117.7140 59.1672 29.4951 178.9796 82 I 3.3753 7.3180 111.5936 62.0193 37.4983 178.0536 83 K 3.9740 7.3024 120.2898 59.0419 31.8801 178.1213 84 K 4.2446 7.2661 115.8500 55.8537 32.5308 177.4878 85 G 3.6573 8.1088 108.8963 44.8661 0.0000 172.2899 86 F 5.0699 7.9953 116.3495 55.3737 40.8222 176.4573 87 K 3.8887 9.0485 126.7088 59.2743 32.1823 176.7247 88 Y 5.0137 7.6925 115.3228 56.3982 40.4939 174.5239 89 T 4.8028 8.8380 111.5635 59.3175 70.4244 174.9457 90 A 4.0992 8.3691 121.8182 54.8587 17.7375 179.5823 91 Q 4.3347 7.9314 117.1717 59.0152 28.5611 178.1920 92 D 4.4904 8.1333 119.6067 57.1888 40.6790 178.9725 93 V 3.7108 7.4516 119.2129 65.7932 31.4044 177.8540 94 F 4.2340 8.0431 120.2345 61.4563 39.2578 176.9304 95 Q 3.6045 7.8304 117.4231 59.0891 28.4493 179.4089 96 I 3.5456 7.6031 120.1255 64.2981 37.1882 177.8653 97 D 4.3259 7.7257 119.7289 57.5415 40.4783 178.0649 98 E 3.5276 7.9802 118.6972 59.4027 29.4263 178.2556 99 A 4.0378 7.9131 119.9673 55.3451 18.5661 179.5582 100 A 3.8871 7.9218 119.0329 55.2140 18.1796 179.6107 101 N 4.3476 8.1788 114.4772 56.2767 38.5922 177.4566 102 R 4.0933 7.5076 118.5615 57.5293 30.3509 176.9039 103 L 4.4384 6.9811 118.1764 52.2362 43.2603 174.4851 104 P 4.3995 0.0000 0.0000 62.2546 31.3989 175.5382 105 P 4.2411 0.0000 0.0000 65.7010 30.9558 176.5741 106 D 4.6683 7.9187 116.3903 53.0065 39.6329 175.7375 107 Q 3.9663 7.9022 122.3306 55.9139 29.3501 175.9743 108 S 4.3177 8.6036 119.9450 57.9843 63.0515 174.6442 109 K 3.5477 8.3564 130.1019 59.1725 31.7036 179.5296 110 S 3.8312 8.0928 115.8641 61.2674 62.5977 176.3776 111 Q 3.9527 7.8916 122.2961 59.5827 28.9554 178.3635 112 M 3.9609 7.5451 119.6407 58.3446 31.9028 178.4356 113 M 3.8864 7.7910 118.4669 58.7771 32.4011 178.4547 114 I 4.0256 8.0957 120.2294 64.4710 37.0427 178.0358 115 D 4.3630 8.1904 119.2509 57.3916 40.6554 178.3410 116 E 4.1448 8.1743 119.4408 58.9576 29.7387 178.6784 117 W 4.8828 8.7456 130.0670 60.0337 30.6566 178.0261 118 K 3.6737 8.7050 117.5844 59.4497 31.8861 177.4880 119 T 4.3288 7.2227 107.4910 61.2571 69.4188 174.9426 120 S 4.3069 7.7419 117.5377 59.0512 63.8437 174.6489 121 G 3.8615 8.7593 108.3198 44.5537 0.0000 171.2586 122 K 4.3914 7.9867 114.8474 56.5009 35.6241 177.8387 123 L 3.9351 8.4366 124.1551 56.5613 41.9449 177.5122 124 N 4.8331 8.6704 121.9358 54.0909 39.4745 175.9340 125 E 4.5860 7.7988 117.3917 56.0411 31.9985 175.5520 126 R 4.2174 7.9401 118.0763 55.6315 30.4663 174.9105 127 P 4.3237 0.0000 0.0000 63.2793 32.4277 175.2706 128 T 4.9030 8.0321 110.6579 59.3950 72.1830 174.9557 129 V 3.7158 8.6500 121.0307 66.0793 31.4713 178.2967 130 G 3.7043 8.2328 106.9628 47.1972 0.0000 175.9979 131 V 3.7324 7.5881 120.0198 65.4781 31.4794 177.8869 132 L 4.2515 8.2701 120.3630 58.1426 42.0051 178.5137 133 L 3.9626 8.1542 120.3539 58.5964 42.0486 179.0962 134 Q 4.0609 8.0400 117.2981 58.9365 28.6509 178.8035 135 L 4.0397 8.1849 120.1622 57.5769 41.5604 179.4405 136 L 3.9012 8.3132 119.5186 57.6754 41.5410 179.7448 137 V 3.0968 7.6818 118.2041 65.8700 31.2626 177.7967 138 Q 3.7613 7.7593 117.9298 58.6231 28.8383 177.2462 139 A 4.2252 7.3971 118.6030 50.8892 19.0412 176.6340 140 E 2.9081 7.4393 115.9194 57.6412 28.1658 176.5608 141 L 4.2937 7.2924 119.0634 53.6800 38.4090 177.0162 142 F 4.2567 7.6570 120.6028 60.4189 39.3547 177.5348 143 S 4.1987 8.1643 114.4436 61.4788 62.6403 176.3930 144 A 3.9856 7.9359 122.7731 55.0146 18.2212 179.3138 145 A 3.9263 8.2909 119.6760 55.5347 18.4207 179.6210 146 D 4.3445 8.7410 117.7975 57.3536 40.8590 178.8608 147 F 4.0912 8.0746 120.9987 61.3234 39.5573 177.4246 148 V 2.6952 7.9648 117.8283 65.4401 31.1565 177.8853 149 A 3.9744 8.1162 120.6379 55.5291 18.3054 179.3231 150 L 4.1023 8.0297 117.8704 57.7329 41.5460 179.1491 151 D 4.2467 7.7786 118.0354 57.4126 41.5927 178.3180 152 F 4.7416 7.9685 117.5776 60.0019 39.1830 177.0801 153 L 4.5782 7.7525 114.6622 53.5163 42.3188 176.5216 154 N 4.2909 7.8738 115.7467 54.2905 37.9756 173.4711 155 E 4.5041 8.1265 116.3427 54.4311 31.0679 176.0181 156 S 4.4579 8.2199 114.7814 57.6240 64.0376 174.3002 157 T 3.9695 8.3370 112.4925 61.0856 68.8858 172.3449 158 P 4.3937 0.0000 0.0000 62.5484 31.9247 175.9896 159 A 4.1217 8.3634 122.4452 52.3981 18.9931 177.4778 160 R 4.1525 7.9236 119.2250 53.8647 32.1998 174.8512 161 P 4.5899 0.0000 0.0000 62.3808 32.2028 178.0392 162 V 3.8423 8.2005 112.5443 63.2160 31.8621 176.2849 163 D 4.8594 8.0637 117.0745 52.6886 44.4236 175.4598 164 G 3.9711 8.5034 106.6317 44.0215 0.0000 172.6091 165 P 4.2897 0.0000 0.0000 65.0620 31.1247 177.4643 166 G 3.8423 7.9975 105.5670 45.7444 0.0000 173.7300 167 A 4.3315 7.3651 122.1222 50.8698 19.1733 177.4354 168 L 4.3315 8.0335 120.2130 54.2306 42.7356 176.6025 169 I 4.5105 7.9223 120.5376 59.4941 39.7879 175.9737 170 S 4.4631 8.5339 119.6767 57.4698 64.2426 173.3823 171 L 4.5382 8.0993 121.9161 53.0739 42.5558 176.6640 172 E 4.1438 8.7252 122.4399 56.6544 29.4205 176.8316 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 23 L 8.18 4.31 0.00 1.65 1.68 1.02 0.56 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 24 S 8.29 4.35 0.00 3.89 3.82 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 25 S 8.59 4.38 0.00 4.20 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 26 K 8.35 3.74 0.00 1.11 0.80 0.00 1.46 0.00 0.00 1.61 0.00 0.00 3.09 0.00 0.00 2.96 0.00 0.00 0.00 0.00 1.20 1.28 7.81 27 Y 7.58 4.90 0.00 2.92 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 28 S 8.59 4.93 0.00 3.99 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 29 R 8.53 4.05 0.00 1.93 2.19 0.00 3.15 0.00 0.00 3.45 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 1.71 0.00 30 N 7.70 4.64 0.00 2.70 2.98 0.00 0.00 7.04 7.27 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 31 T 7.84 4.02 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 1.21 0.00 0.00 32 E 8.57 4.43 0.00 1.96 1.76 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 0.00 2.33 2.28 0.00 33 L 8.58 3.81 0.00 1.44 1.59 0.42 1.01 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 34 R 7.74 4.00 0.00 1.87 2.00 0.00 2.99 0.00 0.00 3.18 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.60 0.00 35 R 7.70 4.19 0.00 1.90 2.01 0.00 3.31 0.00 0.00 3.12 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.67 0.00 36 V 6.99 3.26 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 -0.07 0.00 0.00 0.13 0.00 0.00 37 E 8.82 3.99 0.00 2.17 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 38 D 9.08 4.41 0.00 2.83 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 39 N 8.18 4.51 0.00 2.88 2.88 0.00 0.00 7.21 8.49 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 40 D 8.26 4.68 0.00 2.94 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 41 I 7.89 4.01 2.11 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 1.67 0.84 1.01 0.00 0.00 42 Y 8.23 4.20 0.00 3.19 3.22 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 43 R 8.11 3.70 0.00 2.26 1.73 0.00 3.33 0.00 0.00 3.24 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 2.05 0.00 44 L 7.95 3.60 0.00 2.02 2.03 0.95 0.98 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 45 A 8.24 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 46 K 7.35 3.86 0.00 1.56 1.67 0.00 1.52 0.00 0.00 1.28 0.00 0.00 2.95 0.00 0.00 2.89 0.00 0.00 0.00 0.00 0.68 1.20 7.81 47 I 7.13 3.76 1.87 0.00 0.00 0.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.57 0.85 0.00 0.00 48 L 7.93 4.11 0.00 1.88 1.84 1.01 0.96 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 49 D 8.20 4.59 0.00 2.83 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 50 E 7.66 4.21 0.00 2.11 1.87 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 2.31 2.43 0.00 51 N 9.30 4.16 0.00 2.83 2.85 0.00 0.00 7.21 7.57 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 52 S 7.95 3.85 0.00 3.87 3.60 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 0.00 0.00 0.00 0.00 53 C 7.90 4.14 0.00 3.14 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 54 W 7.99 4.27 0.00 3.57 3.30 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 55 R 6.53 3.21 0.00 1.39 1.46 0.00 2.66 0.00 0.00 2.69 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 0.50 0.00 56 K 7.42 3.81 0.00 1.72 1.73 0.00 1.64 0.00 0.00 1.52 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.29 1.30 7.81 57 L 7.65 3.97 0.00 1.75 1.78 0.88 0.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.26 0.00 0.00 0.00 0.00 0.00 0.00 58 M 8.19 3.84 0.00 2.05 2.14 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.44 0.00 59 S 7.95 4.20 0.00 3.75 3.68 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 60 I 7.10 4.31 2.21 0.00 0.00 0.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.70 0.85 0.00 0.00 61 I 7.46 3.90 1.82 0.00 0.00 -0.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.57 0.58 0.89 0.00 0.00 62 P 0.00 4.61 0.00 1.93 1.80 0.00 3.83 0.00 0.00 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.26 0.00 63 K 8.80 4.12 0.00 1.76 1.85 0.00 1.91 0.00 0.00 1.86 0.00 0.00 2.88 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.37 1.33 7.81 64 G 8.43 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 0.00 0.00 0.00 65 M 7.26 4.46 0.00 2.13 2.07 0.00 0.00 0.00 0.00 0.00 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.70 0.00 66 D 8.30 4.61 0.00 2.67 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 67 V 8.19 3.61 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 1.00 0.00 0.00 0.97 0.00 0.00 68 Q 8.03 4.00 0.00 2.06 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.89 0.00 0.00 0.00 0.00 0.00 2.36 2.37 0.00 69 A 8.11 4.15 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 70 C 7.76 4.68 0.00 3.14 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 71 S 8.01 4.41 0.00 4.01 4.08 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 72 G 7.54 3.68 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 0.00 0.00 0.00 73 A 8.44 4.18 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 74 G 8.98 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 0.00 0.00 0.00 75 C 8.18 4.28 0.00 3.33 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 76 L 7.94 4.50 0.00 1.91 1.79 1.06 0.98 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 77 N 8.31 4.64 0.00 2.83 2.74 0.00 0.00 6.71 7.71 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 78 F 8.80 4.15 0.00 3.18 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 79 P 0.00 4.13 0.00 2.18 2.12 0.00 4.11 0.00 0.00 3.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.32 0.00 80 A 8.23 4.07 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 81 E 8.41 3.85 0.00 1.96 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 2.55 2.48 0.00 82 I 7.32 3.38 1.03 0.00 0.00 0.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.85 -0.18 0.00 0.00 83 K 7.30 3.97 0.00 1.69 1.83 0.00 1.63 0.00 0.00 1.65 0.00 0.00 2.97 0.00 0.00 3.07 0.00 0.00 0.00 0.00 1.38 1.66 7.81 84 K 7.27 4.24 0.00 1.85 1.75 0.00 1.68 0.00 0.00 1.66 0.00 0.00 2.95 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.39 1.36 7.81 85 G 8.11 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 86 F 8.00 5.07 0.00 3.07 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 87 K 9.05 3.89 0.00 1.53 1.59 0.00 1.66 0.00 0.00 1.60 0.00 0.00 2.88 0.00 0.00 2.75 0.00 0.00 0.00 0.00 0.30 0.86 7.81 88 Y 7.69 5.01 0.00 3.04 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 89 T 8.84 4.80 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 1.27 0.00 0.00 90 A 8.37 4.10 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 91 Q 7.93 4.33 0.00 2.12 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.75 0.00 0.00 0.00 0.00 0.00 2.37 2.41 0.00 92 D 8.13 4.49 0.00 2.95 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 93 V 7.45 3.71 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.00 0.00 0.94 0.00 0.00 94 F 8.04 4.23 0.00 3.20 3.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 Q 7.83 3.60 0.00 2.12 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 6.60 0.00 0.00 0.00 0.00 0.00 2.51 2.75 0.00 96 I 7.60 3.55 1.96 0.00 0.00 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.85 0.20 0.00 0.00 97 D 7.73 4.33 0.00 2.69 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 98 E 7.98 3.53 0.00 1.16 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 0.00 2.19 2.22 0.00 99 A 7.91 4.04 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 A 7.92 3.89 1.26 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 0.00 0.00 101 N 8.18 4.35 0.00 2.84 2.88 0.00 0.00 7.07 8.52 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 0.00 102 R 7.51 4.09 0.00 1.90 1.97 0.00 3.11 0.00 0.00 3.20 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 103 L 6.98 4.44 0.00 1.77 1.58 0.87 1.01 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 0.00 104 P 0.00 4.40 0.00 2.42 2.19 0.00 3.69 0.00 0.00 3.80 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 1.96 0.00 105 P 0.00 4.24 0.00 2.20 2.25 0.00 3.75 0.00 0.00 3.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 1.98 0.00 106 D 7.92 4.67 0.00 2.82 2.81 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 0.00 107 Q 7.90 3.97 0.00 2.14 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.36 7.00 0.00 0.00 0.00 0.00 0.00 2.31 2.27 0.00 108 S 8.60 4.32 0.00 3.96 3.81 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 0.00 109 K 8.36 3.55 0.00 1.09 0.74 0.00 1.94 0.00 0.00 2.12 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.27 1.37 7.81 110 S 8.09 3.83 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 0.00 111 Q 7.89 3.95 0.00 2.20 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.35 6.80 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 112 M 7.55 3.96 0.00 1.91 1.95 0.00 0.00 0.00 0.00 0.00 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.45 0.00 113 M 7.79 3.89 0.00 2.13 1.80 0.00 0.00 0.00 0.00 0.00 2.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.80 2.68 0.00 114 I 8.10 4.03 1.95 0.00 0.00 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.91 1.01 0.00 0.00 115 D 8.19 4.36 0.00 2.79 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 0.00 116 E 8.17 4.14 0.00 2.13 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.31 2.52 0.00 117 W 8.75 4.88 0.00 3.61 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 0.00 118 K 8.70 3.67 0.00 1.84 1.94 0.00 1.62 0.00 0.00 1.76 0.00 0.00 3.17 0.00 0.00 2.94 0.00 0.00 0.00 0.00 1.66 1.37 7.81 119 T 7.22 4.33 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 1.27 0.00 0.00 120 S 7.74 4.31 0.00 4.18 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 0.00 121 G 8.76 3.86 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 0.00 0.00 0.00 122 K 7.99 4.39 0.00 1.71 1.60 0.00 1.75 0.00 0.00 1.71 0.00 0.00 2.80 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.33 1.42 7.81 123 L 8.44 3.94 0.00 1.63 1.46 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 124 N 8.67 4.83 0.00 2.74 2.79 0.00 0.00 6.26 7.66 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 0.00 125 E 7.80 4.59 0.00 1.88 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 2.20 2.39 0.00 126 R 7.94 4.22 0.00 1.83 1.78 0.00 3.55 0.00 0.00 3.54 7.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.54 0.00 127 P 0.00 4.32 0.00 0.74 1.17 0.00 3.37 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 1.37 0.51 0.00 128 T 8.03 4.90 4.47 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 129 V 8.65 3.72 2.31 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 1.26 0.00 0.00 0.93 0.00 0.00 130 G 8.23 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 0.00 0.00 0.00 131 V 7.59 3.73 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 1.24 0.00 0.00 1.00 0.00 0.00 132 L 8.27 4.25 0.00 1.93 1.98 1.23 0.78 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 0.00 133 L 8.15 3.96 0.00 1.90 1.86 0.94 0.83 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 0.00 134 Q 8.04 4.06 0.00 2.25 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.59 0.00 0.00 0.00 0.00 0.00 2.42 2.54 0.00 135 L 8.18 4.04 0.00 1.96 1.74 1.13 0.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.91 0.00 0.00 0.00 0.00 0.00 0.00 136 L 8.31 3.90 0.00 1.80 1.62 0.91 0.72 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 0.00 137 V 7.68 3.10 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 1.03 0.00 0.00 1.01 0.00 0.00 138 Q 7.76 3.76 0.00 1.75 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.77 0.00 0.00 0.00 0.00 0.00 1.16 1.67 0.00 139 A 7.40 4.23 1.19 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 0.00 0.00 140 E 7.44 2.91 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 2.26 2.19 0.00 141 L 7.29 4.29 0.00 1.53 1.53 0.90 1.33 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 0.00 142 F 7.66 4.26 0.00 3.10 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 0.00 143 S 8.16 4.20 0.00 3.88 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 0.00 144 A 7.94 3.99 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 0.00 145 A 8.29 3.93 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 0.00 146 D 8.74 4.34 0.00 2.77 2.80 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 0.00 147 F 8.07 4.09 0.00 3.11 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 0.00 148 V 7.96 2.70 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 0.93 0.00 0.00 0.74 0.00 0.00 149 A 8.12 3.97 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 0.00 150 L 8.03 4.10 0.00 1.71 1.66 0.95 0.89 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 0.00 151 D 7.78 4.25 0.00 2.23 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 0.00 0.00 0.00 152 F 7.97 4.74 0.00 3.32 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 0.00 153 L 7.75 4.58 0.00 1.88 1.75 0.98 1.02 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 0.00 154 N 7.87 4.29 0.00 2.86 2.87 0.00 0.00 7.12 7.71 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 0.00 155 E 8.13 4.50 0.00 2.00 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 2.31 2.45 0.00 156 S 8.22 4.46 0.00 3.99 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 0.00 157 T 8.34 3.97 4.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 158 P 0.00 4.39 0.00 2.39 2.20 0.00 4.02 0.00 0.00 3.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.25 2.12 0.00 159 A 8.36 4.12 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 0.00 160 R 7.92 4.15 0.00 1.62 1.67 0.00 2.21 0.00 0.00 2.25 7.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 1.26 0.00 161 P 0.00 4.59 0.00 2.37 2.02 0.00 3.49 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 2.43 2.24 0.00 162 V 8.20 3.84 2.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.70 0.00 0.00 0.93 0.00 0.00 163 D 8.06 4.86 0.00 2.62 2.54 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 0.00 164 G 8.50 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 0.00 165 P 0.00 4.29 0.00 2.21 2.21 0.00 3.78 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 2.16 1.98 0.00 166 G 8.00 3.84 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 0.00 0.00 0.00 167 A 7.37 4.33 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 0.00 168 L 8.03 4.33 0.00 1.60 1.57 0.86 0.68 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 0.00 169 I 7.92 4.51 1.85 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 1.45 0.59 0.90 0.00 0.00 170 S 8.53 4.46 0.00 3.96 3.84 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 0.00 171 L 8.10 4.54 0.00 1.62 1.64 0.91 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.77 0.00 0.00 0.00 0.00 0.00 0.00 172 E 8.73 4.14 0.00 1.93 1.86 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 2.31 2.36 0.00