NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4929 8.3049 120.3271 54.8338 33.3219 178.4900 2 Q 4.2778 8.7152 127.4170 55.0082 32.1666 172.0608 3 R 4.5099 9.3609 123.6602 54.8975 32.4571 175.9632 4 V 4.5041 8.1501 114.8556 59.7383 35.0846 174.9155 5 T 4.5725 8.4289 119.6035 61.8375 70.3080 173.9458 6 I 4.3354 8.1809 126.5966 59.6955 39.2969 175.1594 7 T 4.3399 8.3415 118.9763 60.6967 67.3001 173.6213 8 L 4.7951 8.2138 128.8905 52.7925 44.5825 176.5986 9 D 4.7388 8.3517 121.6963 52.6200 42.2945 177.3731 10 D 4.4108 8.6200 121.8605 57.9661 40.9996 179.5516 11 D 4.4410 7.9928 118.5636 57.4629 41.0863 178.2303 12 L 3.9473 7.6358 119.9714 58.2454 41.8820 178.9177 13 L 3.9920 7.8999 120.0469 58.0471 41.9524 178.7351 14 E 4.0492 8.1429 118.1421 59.3604 29.2613 179.5400 15 T 3.8995 7.8187 115.9133 66.6207 68.7543 176.4507 16 L 3.9374 7.9067 122.1162 58.3148 41.9420 178.7042 17 D 4.4680 7.9780 118.4904 56.7192 40.9487 178.7737 18 S 4.2265 7.8563 115.0210 61.2025 63.3425 176.5374 19 L 4.0513 7.9856 122.5863 57.4879 41.3396 179.5054 20 S 4.1689 7.9968 114.8674 61.1901 62.6266 176.4324 21 Q 4.0178 8.2177 124.8594 60.0518 28.7067 178.9949 22 R 3.9951 7.9237 120.2472 61.2527 29.3381 179.8053 23 R 4.7508 7.6860 115.2282 55.8005 30.3504 177.5943 24 G 3.9483 8.2564 106.9822 45.7039 0.0000 173.8500 25 Y 4.2216 8.3533 117.9480 57.6262 38.4992 175.2233 26 N 4.9803 8.7633 118.9056 52.7028 41.0705 174.6261 27 N 5.0765 7.8847 116.3177 51.2040 42.8988 174.8857 28 R 3.9798 8.5577 126.1431 59.4016 30.2610 179.3771 29 S 4.1350 8.1947 114.7472 61.4481 62.8205 176.4255 30 E 3.9884 8.3803 121.1805 59.2429 29.7211 178.2573 31 A 3.2560 8.0942 120.7746 55.3306 18.3682 179.7812 32 I 3.6598 8.3116 118.4125 64.3950 37.1434 178.6766 33 R 3.9028 8.6755 120.1841 59.4185 29.8573 178.4470 34 D 4.3592 8.2244 118.7593 57.3478 40.8969 178.4966 35 I 3.6531 7.4878 119.8888 64.3605 37.0468 178.0878 36 L 3.8873 8.0197 120.7990 58.3504 41.9509 179.1728 37 R 3.8983 8.0973 117.9271 59.3718 30.0332 178.9104 38 S 4.0676 8.5898 113.0535 61.3553 62.2487 176.1638 39 A 3.9344 7.9316 123.3177 55.2946 18.2853 179.5631 40 L 3.9407 8.1982 117.1482 57.8725 41.4962 179.8745 41 A 3.9868 8.2300 120.9216 55.1666 18.1112 179.5120 42 Q 3.8956 7.7628 116.7224 59.0485 29.2029 177.1610 43 E 4.0202 8.6640 119.8226 59.7248 29.7050 178.4801 44 A 4.0900 7.9902 120.7754 55.0396 18.3550 179.4021 45 T 3.5885 7.4710 107.6467 64.1734 69.2488 174.9327 46 Q 4.3654 8.9438 121.1703 55.6627 29.8242 175.2218 47 Q 4.0719 7.4732 118.0008 55.8171 29.7154 176.8279 48 H 4.5939 8.5107 117.3936 56.6283 29.5804 176.1793 49 G 3.9952 9.6560 111.3053 45.2719 0.0000 173.3975 50 T 4.4855 7.4835 110.0832 59.6210 71.0299 174.3055 51 Q 4.4036 8.7394 126.3780 55.0854 31.4286 173.8920 52 G 4.0135 6.0752 104.3343 45.0206 0.0000 171.7185 53 F 5.3464 8.3179 118.2778 56.0753 43.8617 173.8185 54 A 5.1004 9.2658 120.8775 51.0321 23.2584 175.2912 55 V 4.7333 8.7539 118.9053 60.9566 34.7291 174.0568 56 L 5.0734 8.8804 129.8721 53.5804 44.5571 175.3069 57 S 5.2389 8.9293 122.4877 56.7616 66.6313 172.7683 58 Y 4.9726 6.9680 119.2306 57.0476 41.3887 172.2531 59 V 5.1999 8.3823 120.6128 61.6064 34.9094 173.8627 60 Y 5.3069 8.9415 126.0714 56.4784 42.0492 174.4032 61 E 5.3359 8.7326 119.4018 54.9164 30.2047 176.7806 62 H 4.4178 8.9058 122.5159 57.9789 28.4281 176.2970 63 E 3.8891 7.6199 120.5877 57.6681 31.5810 181.3173 64 K 4.1502 7.3902 116.5597 56.5339 35.7226 177.9405 65 R 4.6090 8.2722 114.0417 55.3100 30.3087 176.2677 66 D 4.6174 8.4676 115.8058 55.0593 39.9693 176.3216 67 L 3.9416 7.5050 122.8190 58.1737 41.7617 178.8987 68 A 3.9256 8.0004 120.2115 55.4588 18.5593 179.7355 69 S 4.1497 8.0280 113.0840 61.4674 62.8806 176.8981 70 R 4.0088 8.6174 121.1948 58.8158 29.9317 178.9438 71 I 3.5429 7.9975 120.0361 64.3911 36.9453 178.7253 72 V 3.6878 7.8015 119.1012 65.7991 31.3313 178.1101 73 S 3.9969 7.8130 112.7160 61.5092 61.8885 176.1755 74 T 3.7082 7.9449 118.5930 66.7892 67.9460 176.6717 75 Q 3.8227 7.6044 118.4185 58.9782 28.9537 178.1341 76 H 4.3029 7.9185 117.4219 58.8941 28.5195 177.3385 77 H 4.2925 8.0212 117.3973 58.1317 28.6579 175.9014 78 H 4.9500 7.5353 116.2304 55.2879 29.3447 175.8639 79 H 4.0219 8.1177 119.0117 58.8314 28.1682 176.7960 80 D 4.3585 7.7525 118.1476 55.5412 39.7139 177.1086 81 L 4.2600 8.6823 120.0496 55.9327 42.2523 176.4321 82 S 4.7872 7.6027 113.7128 57.5854 63.3716 172.9458 83 V 4.3220 8.2752 126.3891 63.4794 32.8117 175.5814 84 A 4.5048 7.1727 118.8001 51.7440 22.0353 174.8249 85 T 5.0070 8.7406 116.1830 61.6159 71.7663 173.1964 86 L 4.6924 9.5427 129.0086 53.5489 44.2481 174.3711 87 H 5.3795 8.8708 125.6293 54.3641 32.7685 172.9446 88 V 4.2549 8.9851 124.6022 61.4025 34.6624 174.4412 89 H 4.7639 8.7444 125.4880 55.1686 27.6878 175.2118 90 I 3.8178 8.3371 126.2133 63.6950 37.4120 176.0783 91 N 4.8407 7.7402 114.3864 52.1037 39.4794 174.2169 92 H 4.2125 9.0530 114.9340 58.6278 28.9795 175.8253 93 D 4.8374 8.4760 117.1215 54.6757 44.3531 175.7337 94 D 5.1099 9.3385 118.9149 53.1712 42.9730 175.6325 95 C 4.9757 8.9404 121.2049 57.7528 30.9263 172.5843 96 L 4.7410 8.6783 127.3016 53.7335 43.2349 174.8400 97 E 5.0652 8.9244 126.9627 54.3552 33.4010 174.2288 98 I 4.7661 9.3406 126.9300 59.4556 41.0201 173.9704 99 A 5.3061 9.2401 129.4598 50.0677 21.6979 174.9656 100 V 4.6084 8.6995 123.2954 61.6538 33.3298 174.8282 101 L 5.8079 8.9596 127.1529 51.9613 45.3993 175.5863 102 K 4.4191 8.8162 119.6932 55.4782 35.4597 176.6492 103 G 3.5470 8.0050 109.0473 44.3287 0.0000 171.2925 104 D 4.6604 8.5425 120.1639 54.9200 41.8393 177.7695 105 M 4.1263 9.1923 128.1025 58.5340 32.2590 178.9187 106 G 3.4385 7.9814 105.7302 47.4187 0.0000 175.3457 107 D 4.4624 8.3041 121.7090 56.8080 40.7490 179.1142 108 V 3.5859 7.6794 118.1993 66.0154 31.4756 177.5370 109 Q 3.9335 7.8395 119.1420 59.7472 28.7589 177.7426 110 H 4.0575 8.3677 118.3006 59.5177 29.2407 176.1736 111 F 3.9351 8.3866 121.7539 61.6723 39.1839 177.1078 112 A 4.1167 8.4724 120.2833 55.2834 18.0772 179.4752 113 D 4.2489 7.9196 116.9019 57.6992 40.8316 178.5761 114 D 4.5538 7.9764 117.9838 56.5661 40.8355 178.0416 115 V 3.9644 7.2515 116.2659 64.7264 32.4746 177.5288 116 I 3.5690 8.0559 116.9204 62.9620 38.1799 175.6226 117 A 4.5881 8.2679 125.6973 52.7988 19.3106 177.5627 118 Q 4.4353 7.7417 122.3749 54.1533 30.8925 177.3323 119 R 4.1916 8.7256 122.1232 59.3423 27.6911 171.8739 120 G 3.7554 8.5659 113.3096 44.3370 0.0000 172.4151 121 V 4.6678 8.0042 121.5502 61.1810 32.8359 174.8852 122 R 4.6553 8.4919 122.4304 55.4306 32.5309 175.1958 123 H 4.2887 8.9558 111.8609 56.2182 26.2100 175.4092 124 G 4.1224 7.9517 106.0909 47.7725 0.0000 173.0609 125 H 4.7261 9.0073 120.1770 55.0885 33.7287 172.4326 126 L 5.1921 8.4589 127.4935 53.9048 45.1163 175.9758 127 Q 4.3643 8.4896 123.8872 55.8834 31.5011 172.3257 128 C 4.7203 8.6240 124.8244 58.6423 29.7510 174.0617 129 L 4.6325 8.9821 125.2755 51.7500 42.0880 173.3127 130 P 4.6660 0.0000 0.0000 63.3815 32.1801 177.4500 131 K 4.3338 8.6754 127.7951 55.1439 30.8811 174.7693 132 E 4.2138 8.3163 126.1938 55.6398 29.9805 175.3616 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 M 8.30 4.49 0.00 2.03 1.17 0.00 0.00 0.00 0.00 0.00 -0.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.57 0.00 2 Q 8.72 4.28 0.00 2.06 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.32 6.76 0.00 0.00 0.00 0.00 0.00 2.26 2.44 0.00 3 R 9.36 4.51 0.00 1.79 1.86 0.00 3.15 0.00 0.00 3.23 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.64 0.00 4 V 8.15 4.50 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 0.75 0.00 0.00 0.93 0.00 0.00 5 T 8.43 4.57 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 1.21 0.00 0.00 6 I 8.18 4.34 1.87 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 1.29 0.44 0.91 0.00 0.00 7 T 8.34 4.34 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 1.21 0.00 0.00 8 L 8.21 4.80 0.00 1.64 1.53 0.91 1.10 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 9 D 8.35 4.74 0.00 2.86 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 10 D 8.62 4.41 0.00 2.74 2.79 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 0.00 0.00 0.00 0.00 11 D 7.99 4.44 0.00 2.76 2.70 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 12 L 7.64 3.95 0.00 1.99 1.79 0.91 0.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 0.00 0.00 0.00 0.00 0.00 0.00 13 L 7.90 3.99 0.00 1.94 1.76 0.91 0.89 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 14 E 8.14 4.05 0.00 2.09 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 2.33 2.64 0.00 15 T 7.82 3.90 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 16 L 7.91 3.94 0.00 1.73 1.80 0.83 1.32 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 17 D 7.98 4.47 0.00 2.84 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 18 S 7.86 4.23 0.00 4.01 4.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 L 7.99 4.05 0.00 1.70 1.73 0.90 0.80 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 20 S 8.00 4.17 0.00 3.93 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 21 Q 8.22 4.02 0.00 2.34 2.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.81 6.74 0.00 0.00 0.00 0.00 0.00 2.38 2.40 0.00 22 R 7.92 4.00 0.00 1.95 1.85 0.00 3.31 0.00 0.00 3.22 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.56 0.00 23 R 7.69 4.75 0.00 2.04 2.18 0.00 3.40 0.00 0.00 3.27 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.81 0.00 24 G 8.26 3.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 25 Y 8.35 4.22 0.00 3.07 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 26 N 8.76 4.98 0.00 2.68 2.83 0.00 0.00 6.69 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 27 N 7.88 5.08 0.00 2.73 2.67 0.00 0.00 7.22 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 28 R 8.56 3.98 0.00 1.90 1.96 0.00 3.19 0.00 0.00 3.34 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.73 0.00 29 S 8.19 4.13 0.00 4.12 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 30 E 8.38 3.99 0.00 2.17 2.32 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 2.42 2.66 0.00 31 A 8.09 3.26 1.13 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 32 I 8.31 3.66 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 1.36 0.75 0.89 0.00 0.00 33 R 8.68 3.90 0.00 2.02 1.94 0.00 3.12 0.00 0.00 3.18 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.69 0.00 34 D 8.22 4.36 0.00 2.80 2.77 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 35 I 7.49 3.65 1.96 0.00 0.00 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.75 0.87 0.00 0.00 36 L 8.02 3.89 0.00 1.94 1.82 0.91 0.85 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 37 R 8.10 3.90 0.00 1.91 1.98 0.00 3.20 0.00 0.00 3.11 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.78 0.00 38 S 8.59 4.07 0.00 3.85 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 39 A 7.93 3.93 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 40 L 8.20 3.94 0.00 1.70 1.74 0.92 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 41 A 8.23 3.99 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 42 Q 7.76 3.90 0.00 2.06 2.27 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 2.36 2.36 0.00 43 E 8.66 4.02 0.00 2.20 2.06 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 2.33 2.50 0.00 44 A 7.99 4.09 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 45 T 7.47 3.59 4.38 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 1.27 0.00 0.00 46 Q 8.94 4.37 0.00 2.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.97 6.79 0.00 0.00 0.00 0.00 0.00 2.28 2.62 0.00 47 Q 7.47 4.07 0.00 2.03 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 7.01 0.00 0.00 0.00 0.00 0.00 2.62 2.39 0.00 48 H 8.51 4.59 0.00 3.12 3.22 0.00 5.69 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 49 G 9.66 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 0.00 0.00 0.00 50 T 7.48 4.49 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 1.21 0.00 0.00 51 Q 8.74 4.40 0.00 2.13 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 8.05 7.02 0.00 0.00 0.00 0.00 0.00 2.35 2.31 0.00 52 G 6.08 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 0.00 0.00 0.00 53 F 8.32 5.35 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 54 A 9.27 5.10 1.15 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 0.00 0.00 55 V 8.75 4.73 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 0.92 0.00 0.00 0.93 0.00 0.00 56 L 8.88 5.07 0.00 1.71 1.60 1.10 0.61 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 0.00 0.00 0.00 0.00 0.00 0.00 57 S 8.93 5.24 0.00 3.79 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 58 Y 6.97 4.97 0.00 3.11 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 V 8.38 5.20 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.94 0.00 0.00 60 Y 8.94 5.31 0.00 3.06 3.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 61 E 8.73 5.34 0.00 1.71 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 1.96 0.00 62 H 8.91 4.42 0.00 3.36 3.56 0.00 5.70 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 63 E 7.62 3.89 0.00 2.11 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 2.32 2.27 0.00 64 K 7.39 4.15 0.00 1.85 1.55 0.00 1.68 0.00 0.00 1.78 0.00 0.00 3.25 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.41 1.53 7.81 65 R 8.27 4.61 0.00 1.71 1.75 0.00 3.45 0.00 0.00 3.34 7.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.19 0.00 66 D 8.47 4.62 0.00 2.91 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 67 L 7.50 3.94 0.00 1.96 1.73 0.94 1.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 0.00 0.00 0.00 0.00 68 A 8.00 3.93 1.50 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 0.00 0.00 0.00 0.00 0.00 0.00 69 S 8.03 4.15 0.00 3.99 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 70 R 8.62 4.01 0.00 1.85 1.90 0.00 3.10 0.00 0.00 3.15 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.74 0.00 71 I 8.00 3.54 1.70 0.00 0.00 0.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.11 1.15 0.80 0.00 0.00 72 V 7.80 3.69 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 1.05 0.00 0.00 1.02 0.00 0.00 73 S 7.81 4.00 0.00 4.07 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 74 T 7.94 3.71 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 1.05 0.00 0.00 75 Q 7.60 3.82 0.00 2.18 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.29 7.00 0.00 0.00 0.00 0.00 0.00 2.85 2.51 0.00 76 H 7.92 4.30 0.00 3.23 3.33 0.00 5.63 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 H 8.02 4.29 0.00 3.09 3.11 0.00 5.63 0.00 0.00 0.00 0.00 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 78 H 7.54 4.95 0.00 2.88 3.21 0.00 5.66 0.00 0.00 0.00 0.00 6.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 H 8.12 4.02 0.00 3.34 3.81 0.00 5.46 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 80 D 7.75 4.36 0.00 2.77 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.68 4.26 0.00 2.18 1.96 1.12 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.78 0.00 0.00 0.00 0.00 0.00 0.00 82 S 7.60 4.79 0.00 4.02 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 83 V 8.28 4.32 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 0.92 0.00 0.00 1.07 0.00 0.00 84 A 7.17 4.50 1.23 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 0.00 0.00 0.00 85 T 8.74 5.01 4.32 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 1.33 0.00 0.00 86 L 9.54 4.69 0.00 1.61 1.47 0.91 0.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 0.00 0.00 0.00 0.00 87 H 8.87 5.38 0.00 3.30 3.06 0.00 5.74 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 88 V 8.99 4.25 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 0.98 0.00 0.00 0.89 0.00 0.00 89 H 8.74 4.76 0.00 3.19 3.24 0.00 5.77 0.00 0.00 0.00 0.00 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 90 I 8.34 3.82 2.01 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 1.32 0.57 0.90 0.00 0.00 91 N 7.74 4.84 0.00 2.93 2.92 0.00 0.00 6.14 7.90 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 92 H 9.05 4.21 0.00 3.14 3.46 0.00 5.66 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 93 D 8.48 4.84 0.00 2.58 2.61 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 0.00 0.00 0.00 0.00 94 D 9.34 5.11 0.00 2.59 2.53 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 0.00 95 C 8.94 4.98 0.00 1.26 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 0.00 0.00 0.00 96 L 8.68 4.74 0.00 1.67 1.59 0.86 0.54 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 97 E 8.92 5.07 0.00 1.97 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 2.37 0.00 98 I 9.34 4.77 1.80 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 1.04 0.68 0.86 0.00 0.00 99 A 9.24 5.31 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 0.00 100 V 8.70 4.61 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 1.16 0.00 0.00 0.94 0.00 0.00 101 L 8.96 5.81 0.00 1.48 1.44 0.30 0.13 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 0.00 102 K 8.82 4.42 0.00 0.79 0.86 0.00 1.35 0.00 0.00 1.69 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.17 1.21 7.81 103 G 8.01 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 D 8.54 4.66 0.00 2.71 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 M 9.19 4.13 0.00 2.08 2.25 0.00 0.00 0.00 0.00 0.00 2.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.96 0.00 106 G 7.98 3.44 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 D 8.30 4.46 0.00 2.72 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 0.00 108 V 7.68 3.59 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 0.97 0.00 0.00 0.97 0.00 0.00 109 Q 7.84 3.93 0.00 2.32 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.20 6.51 0.00 0.00 0.00 0.00 0.00 2.34 2.51 0.00 110 H 8.37 4.06 0.00 3.29 3.63 0.00 5.95 0.00 0.00 0.00 0.00 6.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 F 8.39 3.94 0.00 3.08 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 0.00 112 A 8.47 4.12 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 0.00 113 D 7.92 4.25 0.00 2.92 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 D 7.98 4.55 0.00 2.61 2.64 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 0.00 115 V 7.25 3.96 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 0.42 0.00 0.00 0.99 0.00 0.00 116 I 8.06 3.57 1.87 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 1.45 0.94 0.92 0.00 0.00 117 A 8.27 4.59 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 0.00 118 Q 7.74 4.44 0.00 1.90 1.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.82 6.83 0.00 0.00 0.00 0.00 0.00 2.17 2.12 0.00 119 R 8.73 4.19 0.00 1.82 1.83 0.00 3.22 0.00 0.00 3.23 7.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.22 0.00 120 G 8.57 3.76 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 0.00 0.00 0.00 0.00 0.00 0.00 121 V 8.00 4.67 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 0.86 0.00 0.00 0.87 0.00 0.00 122 R 8.49 4.66 0.00 1.90 1.99 0.00 3.04 0.00 0.00 3.10 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.66 0.00 123 H 8.96 4.29 0.00 3.42 3.49 0.00 5.73 0.00 0.00 0.00 0.00 7.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 G 7.95 4.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 125 H 9.01 4.73 0.00 3.26 3.12 0.00 5.55 0.00 0.00 0.00 0.00 6.70 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 126 L 8.46 5.19 0.00 1.66 1.51 0.96 0.69 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 0.00 127 Q 8.49 4.36 0.00 2.16 1.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.64 0.00 0.00 0.00 0.00 0.00 2.28 2.36 0.00 128 C 8.62 4.72 0.00 2.89 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 0.00 129 L 8.98 4.63 0.00 1.61 1.63 0.93 0.82 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 0.00 130 P 0.00 4.67 0.00 1.95 2.01 0.00 3.70 0.00 0.00 3.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.04 2.28 0.00 131 K 8.68 4.33 0.00 1.55 1.65 0.00 1.75 0.00 0.00 1.63 0.00 0.00 2.81 0.00 0.00 2.69 0.00 0.00 0.00 0.00 1.39 1.26 7.81 132 E 8.32 4.21 0.00 1.87 1.79 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 0.00 2.18 2.22 0.00