NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.4493 8.3044 118.2118 55.8185 32.0442 174.4503 2 T 3.8442 8.5285 114.4050 59.8075 70.0422 170.6358 3 H 3.9604 9.0192 127.2173 54.7924 28.1435 173.4036 4 D 3.9815 7.9700 124.5853 54.8947 41.4519 178.8345 5 N 4.7301 8.4398 115.7204 52.6759 37.8582 175.1384 6 K 4.4660 8.2542 114.8106 56.5596 34.5610 177.1656 7 L 4.0383 8.2014 121.8737 59.4978 40.0651 178.1954 *8 Q 4.4978 7.6952 115.6626 53.0510 29.9487 176.7448 9 V 4.6221 7.9109 122.8749 62.1636 32.3317 175.0534 10 E 4.4767 7.5486 122.7588 54.8689 32.1820 177.1111 11 A 3.7003 7.4711 120.4940 51.7899 16.5697 176.8691 12 I 4.2141 8.0643 116.0387 59.8131 39.4009 175.4959 13 K 3.3216 8.2826 123.0883 55.0228 32.1913 173.1186 14 R 4.2838 8.0384 130.5356 53.9018 31.1369 176.5123 15 G 3.1822 6.9841 109.6434 45.0892 0.0000 170.7265 16 T 4.9837 7.8668 116.3711 61.6516 71.9115 174.0398 17 V 4.5619 8.6662 124.2285 61.3299 34.8214 174.2097 18 I 4.7661 8.5251 129.7053 60.0288 38.5957 174.4653 19 D 5.0548 8.5873 126.5459 52.4142 44.7131 174.6431 20 H 4.0689 8.2776 115.1552 56.8627 25.9600 175.2387 21 I 4.2639 7.6858 120.4840 60.4632 37.6295 175.1980 22 P 3.6558 0.0000 0.0000 62.9640 32.2465 174.7481 23 A 4.9667 8.8605 128.0365 53.5332 21.0509 177.8130 24 Q 3.7294 8.6387 119.9733 56.8645 27.2936 175.0156 25 I 4.2653 7.5324 119.0583 62.7945 37.3240 177.9777 26 G 3.6532 8.0285 107.4614 47.9932 0.0000 175.4505 27 F 4.0854 8.2862 123.4031 60.3767 39.3178 176.7829 28 K 3.6959 8.1931 118.8334 59.5477 31.9390 178.5604 29 L 4.0260 8.3092 119.3948 57.7692 41.3283 179.4191 30 L 3.9400 7.9262 118.9709 58.1261 41.3963 179.4361 31 S 3.9049 7.7573 115.1765 61.4606 62.4809 176.5977 32 L 3.6194 7.8684 121.6996 57.4687 41.4688 178.7131 33 F 4.7326 7.8391 114.3846 56.9706 39.1562 176.3468 34 K 3.8917 7.6075 119.1962 57.6176 29.6981 176.1869 35 L 4.2194 7.4978 117.5960 56.6040 42.0432 178.8870 36 T 4.1578 7.6406 108.0184 63.1005 70.0089 175.2442 37 E 4.3921 7.5113 123.9558 55.4301 28.2114 175.6527 38 T 4.7225 7.0997 114.2570 62.1737 73.0870 174.4123 39 D 4.6828 8.5084 121.8247 54.5447 41.4081 177.2224 40 Q 4.2066 7.6247 118.3223 55.4409 29.7694 175.7795 41 R 4.1819 8.3829 119.3180 56.3672 31.2030 175.5989 42 I 4.9172 8.3830 124.2634 59.7594 40.0337 175.0226 43 T 4.7586 8.8731 122.5766 61.8217 71.8249 173.1800 44 I 4.9543 8.3885 124.9929 59.5111 41.0021 174.6836 45 G 4.2132 8.8890 113.7907 44.4478 0.0000 172.3099 46 L 4.9646 8.4130 123.8520 53.6021 45.0860 176.3825 47 N 4.0520 8.8812 115.1088 54.3835 36.1820 173.6100 48 L 4.6934 8.6958 120.8769 52.3916 44.8605 175.3049 49 P 4.9253 0.0000 0.0000 61.6013 31.1889 174.4161 50 S 4.6023 8.1294 125.5014 57.8231 65.4682 178.1234 51 G 3.9932 9.0383 118.6488 46.8892 0.0000 172.2518 52 E 4.6537 8.5385 120.7479 56.3495 28.4150 175.2680 53 M 4.7717 8.5573 121.1687 56.8203 39.5118 175.3512 54 G 4.1125 7.5518 109.9215 44.2318 0.0000 173.5022 55 R 5.5561 7.8862 119.7297 53.9405 32.8600 175.3474 56 K 4.9077 8.2064 118.4979 57.0849 36.2277 173.7423 57 D 5.3214 8.8308 120.1987 52.8404 44.7407 175.0796 58 L 4.7578 8.2021 119.7311 54.2824 46.1707 173.9532 59 I 5.0194 8.6419 125.4759 59.4507 41.4839 174.4200 60 K 4.9401 9.4821 125.3026 54.6942 35.7104 175.2237 61 I 4.5603 8.8223 126.7152 59.2514 39.0343 175.2245 62 E 4.2339 8.6676 126.9743 56.7635 30.6089 177.4538 63 N 4.1354 8.7141 118.3047 54.0850 37.1384 174.2509 64 T 4.5508 7.1905 113.5500 61.5272 71.2642 173.4381 65 F 4.8073 9.0489 123.5818 54.5368 41.2000 174.5152 66 L 4.7624 8.1433 125.7632 54.2342 42.5555 175.5862 67 S 4.3634 8.5008 115.3002 58.6949 66.2177 173.2578 68 E 4.0090 7.9557 119.6487 58.1983 28.4146 176.7832 69 D 4.5126 7.7422 118.1713 57.3976 41.3411 178.9006 70 Q 3.9120 7.8527 118.0093 58.9852 28.9146 178.5874 71 V 3.6468 7.7495 118.6767 66.0875 31.6233 177.4761 72 D 4.4228 7.7034 116.9092 56.8012 40.5182 178.5154 73 Q 4.2154 7.6889 117.4152 58.2651 28.8947 177.9218 74 L 4.1740 7.5124 119.6124 56.5675 41.4233 178.8443 75 A 4.0314 7.6322 120.4932 55.0128 18.3365 178.7382 76 L 3.9930 7.9800 116.0420 56.9490 42.0857 177.3284 77 Y 4.5500 8.0140 114.2849 58.7262 40.1371 175.9874 78 A 4.7431 8.4181 122.7938 50.1629 19.3033 174.2125 79 P 4.5032 0.0000 0.0000 63.5134 32.5282 178.0339 80 Q 4.1303 7.9288 118.4102 57.0869 29.5006 175.1878 81 A 4.7075 7.1841 117.9747 52.1938 19.4672 176.8022 82 T 4.7350 8.9226 115.3162 61.7774 72.7107 173.9897 83 V 4.5149 8.9302 125.0192 61.2302 33.6802 173.9543 84 N 5.3057 9.2418 126.4994 52.5896 40.3903 174.3536 85 R 5.0512 9.4377 123.1884 54.6750 33.3054 174.2001 86 I 5.2876 8.8860 126.0861 59.6311 41.2093 173.9153 87 D 4.8480 9.1091 125.7425 52.9443 44.4831 174.5930 88 N 3.8412 9.3429 123.2426 55.5882 36.9978 173.0760 89 Y 3.5793 7.1702 110.0224 58.5608 36.7922 170.4543 90 E 4.7619 8.1892 119.5184 54.2191 32.7965 176.2567 91 V 4.0500 8.2856 123.5174 63.5893 28.8445 175.7571 92 V 3.9260 7.9235 121.7989 62.8135 32.4627 176.9259 93 G 4.2564 8.3395 108.8817 44.9623 0.0000 172.4398 94 K 4.8511 8.6109 124.8291 55.1832 34.5997 174.7861 95 S 4.9398 9.0198 122.0955 56.5267 65.9912 172.6033 96 R 5.0059 8.2039 120.0500 53.6754 33.9497 173.7474 97 P 4.5097 0.0000 0.0000 62.4433 32.2311 175.9784 98 S 4.6898 8.2475 114.3096 55.8846 65.6122 173.6885 99 L 3.9943 8.4742 125.7664 54.3730 41.6344 175.8146 100 P 4.6390 0.0000 0.0000 62.2221 32.6567 175.4836 101 E 4.3991 8.5698 114.9762 57.4806 31.1184 176.0454 102 R 5.1033 7.9700 118.7645 54.4069 33.6721 174.7566 103 I 4.5997 8.4178 125.1591 59.9386 40.0333 174.5479 104 D 4.8875 8.9227 127.5081 53.8945 42.6543 178.6624 105 N 4.3772 9.2169 120.4735 54.9104 38.4811 176.3453 106 V 3.6744 8.0610 116.4367 64.2010 31.8574 175.7495 107 L 4.6176 7.7533 118.3462 52.9885 43.5946 175.4748 108 V 4.4801 7.7509 118.6018 60.8582 34.0054 174.6497 109 C 4.5421 8.9691 127.9053 59.0141 31.8277 171.5773 110 P 4.1479 0.0000 0.0000 63.9987 31.5998 175.6808 111 N 4.6468 7.8568 119.3163 52.7612 38.4631 175.3460 112 S 4.2688 8.6398 121.1605 60.2901 63.4043 174.3816 113 N 4.6235 8.3025 118.6439 53.7709 39.0342 174.5294 114 C 4.2395 7.8752 118.1539 60.2501 31.7455 173.4882 115 I 3.8644 8.2552 125.8497 63.2630 37.9368 177.6912 116 S 3.9047 7.6552 113.5966 60.7491 63.1096 175.3780 117 H 4.2620 7.6292 117.4178 59.1362 28.3901 176.5052 118 A 4.2818 7.8505 117.9913 52.9327 18.6176 176.4987 119 E 4.7677 7.5340 115.1758 53.5859 33.9354 174.4220 120 P 4.7864 0.0000 0.0000 63.1851 30.3246 176.5013 121 V 4.5479 8.0790 110.6709 60.3976 35.0973 176.2314 122 S 4.7199 8.4467 118.4453 57.7903 63.9644 174.5166 123 S 4.5080 8.6429 117.7970 59.0615 64.5953 172.8960 124 S 5.1083 8.0884 114.4402 57.3172 65.8979 172.6411 125 F 5.2002 8.8312 124.9346 55.2600 42.5049 174.2863 126 A 4.3302 8.8910 126.3785 52.1559 19.2113 176.5282 127 V 4.8614 8.4982 123.0890 61.8761 33.7124 175.1142 128 R 4.3718 8.7162 119.7058 56.2683 32.9942 171.8726 129 K 3.8267 8.7417 122.9142 55.8495 29.5440 174.3599 130 R 3.7284 8.1006 119.6885 57.6881 30.7352 176.5984 131 A 3.6488 8.7311 120.8157 53.8749 17.5572 177.2959 132 N 4.3944 7.9743 111.3228 53.5589 37.8411 174.3546 133 D 4.5767 8.2815 118.2614 54.3878 40.5429 174.7078 134 I 3.5565 6.7169 121.8165 56.8161 36.7286 173.5207 135 A 5.2256 8.6386 127.7887 50.0450 22.0105 174.9462 136 L 5.2841 8.8060 120.9180 52.8110 45.3474 175.3500 137 K 5.0361 8.9552 125.3674 54.5463 34.4100 174.8731 138 C 3.8425 8.8270 128.6218 58.9912 32.1368 174.0704 139 K 3.5183 8.1387 127.7616 59.9612 31.3937 177.5137 140 Y 4.1873 8.0005 117.5525 60.4691 38.4313 176.9072 141 C 4.1956 8.0534 113.9143 58.5907 30.4964 173.2177 142 E 4.1162 7.2039 118.8195 56.2251 27.4997 174.1187 143 K 4.3430 7.8458 116.5945 55.0091 34.3046 175.3029 144 E 4.8557 8.2779 125.4208 54.8202 31.1716 174.6625 145 F 5.0607 9.0285 124.4998 55.6001 44.0376 173.4589 146 S 4.9758 8.6305 114.2996 57.6523 63.3529 174.3046 147 H 4.1070 9.3248 124.1961 59.1590 27.8112 177.5420 148 N 4.1666 7.6335 118.0350 55.4296 37.4566 176.9387 149 V 3.6483 7.7171 120.4808 65.8998 31.1756 178.3172 150 V 3.4675 7.5809 117.3815 65.6223 31.1934 177.5296 151 L 4.1044 8.0543 117.7481 56.5697 41.5047 178.9179 152 A 4.0953 7.5501 120.4648 53.7816 18.5700 176.7661 153 N 3.8842 7.2246 115.7480 54.5640 40.4467 173.8866 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 4.45 0.00 2.14 2.13 0.00 0.00 0.00 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.42 2.35 0.00 2 T 8.53 3.84 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.31 0.00 0.00 3 H 9.02 3.96 0.00 3.27 3.23 0.00 5.81 0.00 0.00 0.00 0.00 6.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 D 7.97 3.98 0.00 2.82 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 5 N 8.44 4.73 0.00 3.13 3.11 0.00 0.00 5.48 7.36 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 6 K 8.25 4.47 0.00 1.84 1.92 0.00 1.60 0.00 0.00 1.76 0.00 0.00 2.92 0.00 0.00 3.12 0.00 0.00 0.00 0.00 1.28 1.38 7.81 7 L 8.20 4.04 0.00 1.77 1.87 0.92 0.43 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.01 0.00 0.00 0.00 0.00 0.00 0.00 *8 Q 7.70 4.50 0.00 2.09 1.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.30 6.90 0.00 0.00 0.00 0.00 0.00 2.21 2.17 0.00 9 V 7.91 4.62 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.20 0.00 0.00 0.98 0.00 0.00 10 E 7.55 4.48 0.00 2.22 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 2.25 2.40 0.00 11 A 7.47 3.70 1.56 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 0.00 0.00 12 I 8.06 4.21 1.80 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 1.25 0.58 0.95 0.00 0.00 13 K 8.28 3.32 0.00 1.57 1.64 0.00 2.01 0.00 0.00 1.62 0.00 0.00 2.99 0.00 0.00 3.01 0.00 0.00 0.00 0.00 1.13 0.78 7.81 14 R 8.04 4.28 0.00 1.96 1.73 0.00 3.36 0.00 0.00 3.26 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.97 0.00 15 G 6.98 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 0.00 0.00 0.00 16 T 7.87 4.98 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 1.23 0.00 0.00 17 V 8.67 4.56 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 1.04 0.00 0.00 0.91 0.00 0.00 18 I 8.53 4.77 1.86 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 1.08 0.57 0.90 0.00 0.00 19 D 8.59 5.05 0.00 2.77 2.47 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 0.00 20 H 8.28 4.07 0.00 3.49 3.38 0.00 5.86 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 21 I 7.69 4.26 2.03 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 1.32 0.62 0.98 0.00 0.00 22 P 0.00 3.66 0.00 2.16 1.95 0.00 4.07 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 2.19 2.16 0.00 23 A 8.86 4.97 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 24 Q 8.64 3.73 0.00 2.26 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.97 0.00 0.00 0.00 0.00 0.00 2.28 2.33 0.00 25 I 7.53 4.27 1.95 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.57 1.05 0.00 0.00 26 G 8.03 3.65 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 0.00 0.00 0.00 27 F 8.29 4.09 0.00 3.15 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 28 K 8.19 3.70 0.00 1.93 1.94 0.00 1.69 0.00 0.00 1.84 0.00 0.00 3.28 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.41 1.42 7.81 29 L 8.31 4.03 0.00 1.87 1.74 0.95 0.70 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 30 L 7.93 3.94 0.00 1.55 1.53 0.91 0.84 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 31 S 7.76 3.90 0.00 3.69 3.61 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 32 L 7.87 3.62 0.00 1.27 0.53 0.67 0.05 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 33 F 7.84 4.73 0.00 3.12 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 34 K 7.61 3.89 0.00 1.82 2.11 0.00 1.64 0.00 0.00 1.62 0.00 0.00 2.87 0.00 0.00 3.54 0.00 0.00 0.00 0.00 1.34 1.52 7.81 35 L 7.50 4.22 0.00 1.67 1.71 0.91 0.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 36 T 7.64 4.16 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 1.20 0.00 0.00 37 E 7.51 4.39 0.00 1.96 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 2.32 2.31 0.00 38 T 7.10 4.72 4.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.27 0.00 0.00 39 D 8.51 4.68 0.00 2.65 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 40 Q 7.62 4.21 0.00 1.99 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.89 6.93 0.00 0.00 0.00 0.00 0.00 2.37 2.48 0.00 41 R 8.38 4.18 0.00 1.75 1.84 0.00 3.07 0.00 0.00 3.33 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.65 0.00 42 I 8.38 4.92 1.87 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 1.32 0.74 0.90 0.00 0.00 43 T 8.87 4.76 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 44 I 8.39 4.95 1.90 0.00 0.00 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.61 0.98 0.00 0.00 45 G 8.89 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 0.00 0.00 0.00 0.00 46 L 8.41 4.96 0.00 1.48 1.55 0.97 1.16 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 47 N 8.88 4.05 0.00 2.77 2.79 0.00 0.00 6.86 8.45 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 48 L 8.70 4.69 0.00 1.76 1.55 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 49 P 0.00 4.93 0.00 2.17 2.09 0.00 3.96 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.94 1.97 0.00 50 S 8.13 4.60 0.00 3.81 2.99 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 51 G 9.04 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 0.00 0.00 0.00 52 E 8.54 4.65 0.00 1.97 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 2.32 2.28 0.00 53 M 8.56 4.77 0.00 2.18 2.20 0.00 0.00 0.00 0.00 0.00 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.56 0.00 54 G 7.55 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 0.00 0.00 0.00 55 R 7.89 5.56 0.00 1.72 1.87 0.00 3.30 0.00 0.00 3.94 7.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.46 0.00 56 K 8.21 4.91 0.00 1.97 1.91 0.00 1.46 0.00 0.00 1.60 0.00 0.00 2.87 0.00 0.00 2.83 0.00 0.00 0.00 0.00 1.34 1.35 7.81 57 D 8.83 5.32 0.00 2.62 2.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 58 L 8.20 4.76 0.00 1.63 1.44 0.91 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 59 I 8.64 5.02 1.86 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 1.24 0.75 0.89 0.00 0.00 60 K 9.48 4.94 0.00 1.58 1.63 0.00 1.60 0.00 0.00 1.64 0.00 0.00 2.86 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.32 1.37 7.81 61 I 8.82 4.56 1.78 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 1.19 0.67 0.84 0.00 0.00 62 E 8.67 4.23 0.00 1.90 1.78 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 2.26 2.37 0.00 63 N 8.71 4.14 0.00 2.76 2.84 0.00 0.00 6.74 7.09 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 64 T 7.19 4.55 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 1.18 0.00 0.00 65 F 9.05 4.81 0.00 3.02 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 66 L 8.14 4.76 0.00 1.91 1.63 0.89 0.57 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 67 S 8.50 4.36 0.00 3.89 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 68 E 7.96 4.01 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 2.29 2.37 0.00 69 D 7.74 4.51 0.00 2.77 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 70 Q 7.85 3.91 0.00 2.16 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 6.97 0.00 0.00 0.00 0.00 0.00 2.35 2.35 0.00 71 V 7.75 3.65 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 1.09 0.00 0.00 0.92 0.00 0.00 72 D 7.70 4.42 0.00 3.10 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 73 Q 7.69 4.22 0.00 1.83 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.21 6.98 0.00 0.00 0.00 0.00 0.00 2.62 2.63 0.00 74 L 7.51 4.17 0.00 1.71 1.68 0.83 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 0.00 0.00 0.00 0.00 0.00 0.00 75 A 7.63 4.03 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 76 L 7.98 3.99 0.00 1.47 1.07 0.78 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.00 0.00 0.00 0.00 0.00 0.00 77 Y 8.01 4.55 0.00 3.04 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 78 A 8.42 4.74 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 79 P 0.00 4.50 0.00 2.19 2.42 0.00 3.79 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.95 0.00 80 Q 7.93 4.13 0.00 2.03 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.07 0.00 0.00 0.00 0.00 0.00 2.30 2.39 0.00 81 A 7.18 4.71 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 82 T 8.92 4.74 4.27 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 1.29 0.00 0.00 83 V 8.93 4.51 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.92 0.00 0.00 84 N 9.24 5.31 0.00 2.77 2.73 0.00 0.00 6.17 7.20 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 85 R 9.44 5.05 0.00 2.02 1.99 0.00 3.02 0.00 0.00 2.99 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.64 0.00 86 I 8.89 5.29 2.01 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 1.13 0.65 0.86 0.00 0.00 87 D 9.11 4.85 0.00 2.75 2.46 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 0.00 88 N 9.34 3.84 0.00 2.84 2.81 0.00 0.00 7.18 7.54 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 89 Y 7.17 3.58 0.00 3.24 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 90 E 8.19 4.76 0.00 2.07 1.83 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 2.29 2.40 0.00 91 V 8.29 4.05 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.84 0.00 0.00 0.96 0.00 0.00 92 V 7.92 3.93 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.72 0.00 0.00 0.91 0.00 0.00 93 G 8.34 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 0.00 0.00 0.00 0.00 94 K 8.61 4.85 0.00 1.73 1.69 0.00 1.74 0.00 0.00 1.64 0.00 0.00 2.68 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.33 1.71 7.81 95 S 9.02 4.94 0.00 3.93 3.67 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 96 R 8.20 5.01 0.00 1.67 1.76 0.00 3.26 0.00 0.00 3.23 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.63 0.00 97 P 0.00 4.51 0.00 2.05 2.15 0.00 3.63 0.00 0.00 3.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.16 2.10 0.00 98 S 8.25 4.69 0.00 3.76 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 99 L 8.47 3.99 0.00 1.67 1.61 0.90 1.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.00 0.00 0.00 0.00 0.00 0.00 100 P 0.00 4.64 0.00 2.36 2.10 0.00 3.77 0.00 0.00 3.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.03 2.10 0.00 101 E 8.57 4.40 0.00 2.07 2.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 2.31 0.00 102 R 7.97 5.10 0.00 1.81 1.82 0.00 3.16 0.00 0.00 3.23 7.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.64 0.00 103 I 8.42 4.60 2.03 0.00 0.00 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 1.33 0.73 1.08 0.00 0.00 104 D 8.92 4.89 0.00 2.70 2.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 N 9.22 4.38 0.00 2.87 2.98 0.00 0.00 6.90 7.69 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 0.00 106 V 8.06 3.67 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 0.71 0.00 0.00 0.43 0.00 0.00 107 L 7.75 4.62 0.00 1.69 1.26 0.81 0.69 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 0.00 108 V 7.75 4.48 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 0.86 0.00 0.00 0.95 0.00 0.00 109 C 8.97 4.54 0.00 3.21 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 0.00 110 P 0.00 4.15 0.00 1.74 1.80 0.00 3.37 0.00 0.00 3.42 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.49 0.94 0.00 111 N 7.86 4.65 0.00 3.31 3.02 0.00 0.00 6.96 7.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 112 S 8.64 4.27 0.00 4.01 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 0.00 113 N 8.30 4.62 0.00 2.74 2.91 0.00 0.00 7.09 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 0.00 114 C 7.88 4.24 0.00 3.10 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 0.00 115 I 8.26 3.86 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.95 0.74 0.00 0.00 116 S 7.66 3.90 0.00 3.81 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 0.00 117 H 7.63 4.26 0.00 3.18 3.37 0.00 5.67 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 0.00 118 A 7.85 4.28 1.25 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 0.00 0.00 119 E 7.53 4.77 0.00 1.82 1.72 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 2.27 2.18 0.00 120 P 0.00 4.79 0.00 2.17 2.11 0.00 3.67 0.00 0.00 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.97 0.00 121 V 8.08 4.55 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 0.75 0.00 0.00 0.54 0.00 0.00 122 S 8.45 4.72 0.00 3.81 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 0.00 123 S 8.64 4.51 0.00 4.17 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 0.00 124 S 8.09 5.11 0.00 3.87 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 0.00 125 F 8.83 5.20 0.00 3.08 2.98 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 0.00 0.00 0.00 126 A 8.89 4.33 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 0.00 127 V 8.50 4.86 2.24 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 0.82 0.00 0.00 1.01 0.00 0.00 128 R 8.72 4.37 0.00 1.90 1.97 0.00 2.93 0.00 0.00 3.09 7.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 129 K 8.74 3.83 0.00 1.91 1.89 0.00 1.80 0.00 0.00 1.71 0.00 0.00 2.93 0.00 0.00 2.92 0.00 0.00 0.00 0.00 1.54 1.44 7.81 130 R 8.10 3.73 0.00 1.87 1.86 0.00 3.47 0.00 0.00 3.33 7.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 1.60 0.00 131 A 8.73 3.65 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 132 N 7.97 4.39 0.00 2.82 2.96 0.00 0.00 7.16 8.61 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 0.00 133 D 8.28 4.58 0.00 2.80 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 0.00 134 I 6.72 3.56 1.57 0.00 0.00 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.03 0.54 0.91 0.00 0.00 135 A 8.64 5.23 1.25 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 0.00 0.00 136 L 8.81 5.28 0.00 1.64 1.68 0.77 0.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.35 0.00 0.00 0.00 0.00 0.00 0.00 137 K 8.96 5.04 0.00 1.86 1.70 0.00 1.61 0.00 0.00 1.56 0.00 0.00 2.77 0.00 0.00 2.85 0.00 0.00 0.00 0.00 1.31 1.33 7.81 138 C 8.83 3.84 0.00 3.21 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 0.00 139 K 8.14 3.52 0.00 1.64 1.37 0.00 1.61 0.00 0.00 1.17 0.00 0.00 2.50 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.75 1.12 7.81 140 Y 8.00 4.19 0.00 3.02 2.91 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 0.00 141 C 8.05 4.20 0.00 3.15 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 0.00 142 E 7.20 4.12 0.00 2.28 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 2.33 0.00 143 K 7.85 4.34 0.00 1.47 1.07 0.00 1.63 0.00 0.00 1.67 0.00 0.00 2.88 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.64 1.47 7.81 144 E 8.28 4.86 0.00 1.89 1.72 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 2.19 2.45 0.00 145 F 9.03 5.06 0.00 2.97 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 0.00 146 S 8.63 4.98 0.00 3.96 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 0.00 147 H 9.32 4.11 0.00 3.30 3.58 0.00 5.32 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 148 N 7.63 4.17 0.00 2.80 2.82 0.00 0.00 5.95 7.68 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 0.00 149 V 7.72 3.65 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 0.92 0.00 0.00 0.94 0.00 0.00 150 V 7.58 3.47 1.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.65 0.00 0.00 0.69 0.00 0.00 151 L 8.05 4.10 0.00 1.70 1.66 0.85 0.45 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 0.00 152 A 7.55 4.10 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 0.00 153 N 7.22 3.88 0.00 2.66 2.59 0.00 0.00 7.15 7.44 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 * Residues marked with a * may have inaccurate shift predictions.