NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 6 E 4.1882 8.4401 120.2113 56.3181 31.1464 174.9059 7 A 4.4384 8.1450 124.8324 48.5657 22.3152 174.0073 *9 T 4.5800 8.1029 105.3715 61.9184 71.0150 171.6012 10 V 4.9701 8.3961 120.7109 59.8862 34.6741 175.0296 11 G 4.3498 9.3465 109.6380 44.4200 0.0000 171.8801 12 V 5.1105 8.4835 123.3953 59.8948 34.3849 174.4498 13 D 4.8202 8.9008 121.2746 52.5739 44.9649 173.5505 14 L 5.0736 8.6090 126.1392 53.2508 45.1199 175.4484 15 V 4.5036 8.8463 125.2125 61.2771 34.8879 174.0387 16 H 4.3473 9.0562 127.9857 55.3967 29.6805 175.4113 17 I 3.7123 8.4603 130.0318 64.0819 36.9440 176.6821 18 P 4.3208 0.0000 0.0000 65.5071 31.1263 178.9237 19 G 3.6652 7.8636 104.1444 47.5066 0.0000 175.3391 20 F 4.0913 8.4518 122.8494 61.1574 39.4162 177.1823 21 A 3.8050 8.4938 120.7350 54.8587 17.9465 178.9677 22 E 3.7911 7.9628 116.8301 59.6506 29.8577 178.6327 23 Q 4.1165 7.8754 117.7643 59.2108 28.6678 179.1323 24 L 3.9612 7.6952 119.9245 57.6841 42.0889 178.2965 25 S 4.3587 7.6404 111.8480 58.4707 63.3824 173.7448 26 R 4.4899 6.7042 120.9022 54.6986 33.5889 175.6795 27 P 3.9009 0.0000 0.0000 63.5788 32.7834 177.0327 28 G 3.8484 8.9149 118.7803 46.7739 0.0000 172.6278 29 S 4.3069 7.6467 115.3026 57.1002 63.1565 174.7638 30 T 3.6336 8.4014 117.7351 65.0912 68.1891 175.3759 31 F 4.1784 7.1465 117.5888 58.5894 38.9817 176.0113 32 E 4.1780 8.3625 121.3948 59.4877 29.2567 178.9173 33 Q 4.6953 7.3912 114.3686 55.7476 29.1883 177.1727 34 V 3.9180 7.8050 120.1122 64.1011 31.9863 175.8982 35 F 5.3204 7.8129 117.9659 55.3216 40.9999 176.1371 36 S 4.4859 9.4249 120.8363 57.3224 64.9740 173.5717 37 P 4.2488 0.0000 0.0000 65.9901 30.9920 178.4506 38 L 3.9502 7.9537 118.0351 58.3035 42.0728 178.5662 39 E 4.0346 8.2238 118.4188 59.7694 29.3306 179.7501 40 R 3.9268 8.3467 118.0206 59.0243 30.1639 179.4987 41 R 3.8864 8.0188 118.0059 59.4060 29.9164 178.1197 42 H 4.0321 8.1939 116.6792 59.6119 29.8710 176.6530 43 A 3.8779 7.8705 120.6202 55.1935 18.1843 179.2510 44 Q 4.0579 7.5325 115.7355 58.3832 29.6127 177.4737 45 T 3.9989 7.2904 118.9864 63.7182 68.2107 173.9447 46 R 4.3056 7.9117 125.6107 56.0509 29.4619 175.4918 *59 A 4.1930 8.3337 117.2216 50.7099 20.2032 177.7960 60 G 4.2676 7.7823 103.4385 42.5569 0.0000 171.7673 61 S 4.5730 8.6789 115.1295 58.1941 63.5705 175.4618 62 R 4.0138 8.8368 124.3900 60.0090 29.7991 179.1896 63 T 3.9150 7.8653 114.5268 66.7780 67.9977 176.3642 64 E 3.8261 8.3747 120.7983 59.5617 29.4885 178.9972 65 H 4.1118 7.6999 117.9079 59.2668 29.8919 177.3809 66 L 3.7724 8.2657 120.9757 57.5671 41.2853 179.2441 67 A 2.7360 7.9387 120.9585 54.6690 18.1501 179.9409 68 G 3.5061 7.7369 103.8151 48.0159 0.0000 176.2388 69 R 4.0527 7.9460 120.4054 58.6235 30.0795 178.8926 70 W 4.5193 8.8157 128.4597 60.5755 30.7062 177.8181 71 A 4.0752 8.5390 122.0379 54.4939 17.7902 179.4733 72 A 3.9492 7.9306 119.2317 55.1853 18.4777 180.0513 73 K 4.0992 8.0821 116.9827 59.8150 32.2228 179.4893 74 E 3.8410 7.8383 118.5927 59.2378 29.2675 179.3403 75 A 3.9998 8.1639 120.9846 54.9354 18.4446 179.4030 76 F 4.1848 8.4297 119.2342 61.6193 39.4508 177.3676 77 I 3.5625 7.9385 119.3515 64.3492 36.8317 178.6258 78 K 3.9232 8.1626 119.0647 59.3050 31.9776 179.3384 79 A 4.0117 8.0140 121.1596 54.7244 18.0526 179.5550 80 W 4.0361 7.6864 125.9422 60.6958 31.0683 177.9773 81 S 4.0375 8.0489 115.1723 61.8264 62.2533 176.8362 82 Q 4.1120 8.5415 120.7541 58.9134 28.2481 178.6592 83 A 4.3522 8.1410 121.7132 53.1526 18.5507 177.8359 84 I 4.4565 7.5286 111.6709 60.0188 38.1367 174.7738 85 Y 4.0474 7.6213 121.5406 60.7401 38.7508 176.7802 86 G 3.8287 8.3973 114.6624 45.0686 0.0000 172.9925 87 K 4.6247 7.8059 118.7173 53.3420 35.1542 174.3954 88 P 4.3658 0.0000 0.0000 61.5649 32.0350 174.4346 89 P 3.9501 0.0000 0.0000 63.1882 31.7973 176.9472 90 V 3.6063 7.9667 122.3453 65.2111 31.7650 176.1443 91 I 4.3456 6.8855 118.9303 58.7642 39.2021 174.8432 92 E 3.7779 8.8274 123.7475 56.4968 29.6551 175.9047 93 P 4.1585 0.0000 0.0000 66.0081 31.4063 177.6831 94 D 4.7820 8.0393 113.3920 55.0866 40.9609 176.6657 95 L 4.5983 7.7281 118.3546 54.0487 42.7603 176.8646 96 V 3.4227 7.2322 118.9276 62.7274 31.8761 175.3326 97 N 4.6528 8.4960 126.0795 52.4696 38.0125 175.1852 98 F 4.3129 8.7056 124.9918 59.5573 39.3994 177.5487 99 A 4.3052 8.0428 122.2946 54.1773 18.0531 178.0359 100 E 4.2737 8.3292 114.8924 57.4575 29.8743 176.1956 101 I 4.5871 7.2969 120.6141 59.1560 36.7824 173.7144 102 E 4.7971 8.6885 123.4502 54.6134 32.2861 176.1048 103 V 4.4179 8.9785 123.9233 62.0631 32.0993 174.9945 104 L 4.6105 8.9066 132.7724 52.9537 43.0606 173.8946 105 P 5.1715 0.0000 0.0000 62.2751 32.9967 175.9240 106 D 4.7210 8.9468 122.0030 51.9981 41.2133 176.9885 107 R 3.4423 8.2755 118.2863 58.6049 29.6651 176.9388 108 W 4.5240 8.4337 114.8867 56.1141 29.3613 176.7481 109 G 4.0145 8.4275 106.8326 45.4454 0.0000 174.6128 110 R 4.1845 8.3491 119.1015 56.2348 30.6965 175.8713 111 V 5.0674 8.1594 112.8614 59.6739 35.0224 175.0091 112 A 4.7248 8.6239 124.5856 50.0864 22.8243 175.2680 113 L 4.4220 8.6172 122.1827 54.6422 42.7605 176.4526 114 Q 4.3968 9.2827 126.7965 54.3291 30.4139 174.2017 115 L 4.8378 8.2091 126.6220 53.8953 43.2570 176.1463 116 K 4.5350 8.6963 121.0391 54.4400 36.9394 177.8976 117 G 3.8568 8.8337 108.9862 45.1534 0.0000 175.2368 118 E 3.8941 9.2749 121.9160 59.1131 29.4300 178.0645 119 V 3.7520 8.0933 117.9686 66.2451 31.5950 177.5675 120 A 3.8389 8.0817 120.0191 55.1742 18.1529 179.4519 121 A 3.9147 8.1121 119.0439 55.4476 18.5480 180.1354 122 K 4.1010 8.7787 117.3602 59.2341 32.1093 179.5047 123 L 3.2819 8.1442 121.2150 57.8818 41.8871 178.5274 124 Q 4.1878 7.9377 120.6178 58.6493 28.6939 178.4895 125 E 4.0615 7.8777 116.9444 58.9780 29.8646 178.9272 126 S 4.4130 8.1707 114.9974 60.6373 63.5289 174.9884 127 I 4.4981 7.8673 111.7114 59.0139 39.2481 176.8391 128 G 3.8738 8.1861 109.0615 44.8346 0.0000 172.2442 129 D 4.5227 8.5608 120.9509 54.6711 41.4555 175.8837 130 V 4.8642 8.1080 115.5582 59.4947 35.9087 174.2966 131 E 4.7211 9.2740 123.6610 54.4734 32.0555 174.6663 132 L 5.4594 8.6575 125.6905 53.0361 44.8733 175.6479 133 A 4.7915 9.0502 122.9999 50.2372 22.6219 174.8559 134 L 5.3152 8.5419 122.3570 53.5842 45.7362 175.3933 135 S 4.7856 8.7101 116.9185 57.1043 66.2732 172.7668 136 I 5.2059 8.2564 124.8977 59.8563 40.8860 174.6163 137 S 4.8032 8.9892 118.9438 57.3557 66.1563 172.6343 138 H 5.3643 8.2721 119.4682 54.3677 31.7949 171.9358 139 D 4.6677 9.2098 118.9942 54.1590 45.2836 176.6439 140 G 3.8069 8.2639 112.4893 47.6038 0.0000 174.0766 141 D 4.7038 8.7589 124.2990 53.9031 41.1629 174.7334 142 Y 5.3119 8.0292 116.5453 56.1598 42.1777 174.3040 143 A 5.4027 8.9865 123.8733 50.7583 22.7156 175.1327 144 T 5.1546 9.0974 113.2332 60.8715 71.5562 172.5043 145 A 5.2541 8.8614 127.2063 50.3308 23.5087 174.7263 146 L 5.2417 8.7750 120.7378 53.4184 46.1308 174.8016 147 C 5.3531 9.4882 125.5392 57.5228 34.9222 171.9745 148 L 5.1289 9.0643 128.4806 53.2922 43.9859 174.5687 149 L 5.1127 8.9202 128.2921 53.5447 44.3595 175.4403 150 R 5.1337 9.2380 126.6759 54.7397 32.8155 175.1466 151 Y 5.0632 8.8305 120.8962 55.9805 42.4338 173.1945 152 Q 4.3083 9.9817 120.1765 53.5772 30.2643 175.3224 153 R 4.1517 8.5485 122.9952 56.0721 30.5652 174.1615 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 6 E 8.44 4.19 0.00 1.91 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 2.17 2.28 0.00 7 A 8.14 4.44 0.12 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 *9 T 8.10 4.58 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 1.42 0.00 0.00 10 V 8.40 4.97 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 0.76 0.00 0.00 0.95 0.00 0.00 11 G 9.35 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 0.00 0.00 0.00 12 V 8.48 5.11 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 0.75 0.00 0.00 0.96 0.00 0.00 13 D 8.90 4.82 0.00 2.70 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 14 L 8.61 5.07 0.00 1.66 1.54 0.98 0.79 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 15 V 8.85 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 0.96 0.00 0.00 1.02 0.00 0.00 16 H 9.06 4.35 0.00 3.26 3.23 0.00 5.93 0.00 0.00 0.00 0.00 6.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 8.46 3.71 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 1.40 0.36 0.88 0.00 0.00 18 P 0.00 4.32 0.00 1.97 2.03 0.00 2.70 0.00 0.00 3.54 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.01 0.00 19 G 7.86 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 0.00 0.00 0.00 20 F 8.45 4.09 0.00 3.08 3.21 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 21 A 8.49 3.80 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 22 E 7.96 3.79 0.00 2.08 2.15 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 2.31 2.51 0.00 23 Q 7.88 4.12 0.00 2.37 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.23 6.56 0.00 0.00 0.00 0.00 0.00 2.38 2.63 0.00 24 L 7.70 3.96 0.00 1.06 1.57 0.74 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 0.00 0.00 0.00 0.00 25 S 7.64 4.36 0.00 4.06 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 R 6.70 4.49 0.00 1.82 1.82 0.00 3.29 0.00 0.00 3.20 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 1.67 0.00 27 P 0.00 3.90 0.00 2.08 2.17 0.00 3.73 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 1.94 2.06 0.00 28 G 8.91 3.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 S 7.65 4.31 0.00 4.04 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 30 T 8.40 3.63 3.74 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 1.02 0.00 0.00 31 F 7.15 4.18 0.00 2.90 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 32 E 8.36 4.18 0.00 1.95 2.05 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 2.57 2.41 0.00 33 Q 7.39 4.70 0.00 2.07 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.43 6.97 0.00 0.00 0.00 0.00 0.00 2.32 2.34 0.00 34 V 7.81 3.92 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 0.02 0.00 0.00 0.72 0.00 0.00 35 F 7.81 5.32 0.00 3.16 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 36 S 9.42 4.49 0.00 4.10 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 0.00 37 P 0.00 4.25 0.00 2.21 2.21 0.00 3.66 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 2.16 2.22 0.00 38 L 7.95 3.95 0.00 1.77 1.86 0.92 1.01 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 39 E 8.22 4.03 0.00 2.41 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 2.45 2.47 0.00 40 R 8.35 3.93 0.00 1.90 2.00 0.00 3.20 0.00 0.00 3.34 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.78 0.00 41 R 8.02 3.89 0.00 2.22 1.98 0.00 3.21 0.00 0.00 3.23 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.68 0.00 42 H 8.19 4.03 0.00 3.21 3.55 0.00 5.96 0.00 0.00 0.00 0.00 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 43 A 7.87 3.88 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 44 Q 7.53 4.06 0.00 2.08 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.25 7.49 0.00 0.00 0.00 0.00 0.00 2.53 2.51 0.00 45 T 7.29 4.00 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 1.16 0.00 0.00 46 R 7.91 4.31 0.00 1.69 1.42 0.00 3.40 0.00 0.00 3.20 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.50 0.00 *59 A 8.33 4.19 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 60 G 7.78 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 0.00 0.00 0.00 0.00 61 S 8.68 4.57 0.00 3.85 3.83 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 62 R 8.84 4.01 0.00 1.80 1.96 0.00 3.06 0.00 0.00 3.48 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 1.72 0.00 63 T 7.87 3.92 4.44 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 1.32 0.00 0.00 64 E 8.37 3.83 0.00 1.91 1.66 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 2.25 2.22 0.00 65 H 7.70 4.11 0.00 3.04 3.42 0.00 5.78 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 66 L 8.27 3.77 0.00 1.90 1.58 0.71 0.02 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 67 A 7.94 2.74 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 G 7.74 3.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 R 7.95 4.05 0.00 2.23 2.36 0.00 3.14 0.00 0.00 2.95 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 1.78 0.00 70 W 8.82 4.52 0.00 3.47 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 71 A 8.54 4.08 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 72 A 7.93 3.95 1.45 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 0.00 0.00 0.00 73 K 8.08 4.10 0.00 1.90 2.19 0.00 1.99 0.00 0.00 1.98 0.00 0.00 3.24 0.00 0.00 3.10 0.00 0.00 0.00 0.00 1.85 1.83 7.81 74 E 7.84 3.84 0.00 1.83 1.73 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 1.47 1.47 0.00 75 A 8.16 4.00 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 76 F 8.43 4.18 0.00 3.12 3.33 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 77 I 7.94 3.56 2.08 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 2.00 0.93 0.87 0.00 0.00 78 K 8.16 3.92 0.00 1.95 1.84 0.00 1.81 0.00 0.00 1.64 0.00 0.00 2.95 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.43 1.63 7.81 79 A 8.01 4.01 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 80 W 7.69 4.04 0.00 2.60 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 81 S 8.05 4.04 0.00 3.96 3.78 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 82 Q 8.54 4.11 0.00 2.24 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.80 0.00 0.00 0.00 0.00 0.00 2.61 2.68 0.00 83 A 8.14 4.35 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 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 I 7.53 4.46 1.84 0.00 0.00 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 1.25 0.95 0.00 0.00 85 Y 7.62 4.05 0.00 3.17 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 86 G 8.40 3.83 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 0.00 0.00 0.00 87 K 7.81 4.62 0.00 1.75 1.65 0.00 1.74 0.00 0.00 1.77 0.00 0.00 2.89 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.34 1.33 7.81 88 P 0.00 4.37 0.00 2.10 1.98 0.00 3.74 0.00 0.00 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.93 1.94 0.00 89 P 0.00 3.95 0.00 1.91 1.83 0.00 3.57 0.00 0.00 3.46 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.95 0.00 90 V 7.97 3.61 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 0.92 0.00 0.00 0.81 0.00 0.00 91 I 6.89 4.35 1.72 0.00 0.00 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.80 0.86 0.00 0.00 92 E 8.83 3.78 0.00 1.95 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 2.38 2.30 0.00 93 P 0.00 4.16 0.00 2.16 2.14 0.00 3.53 0.00 0.00 3.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.08 2.08 0.00 94 D 8.04 4.78 0.00 2.67 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 95 L 7.73 4.60 0.00 1.69 1.65 0.91 1.14 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 96 V 7.23 3.42 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 -0.06 0.00 0.00 0.84 0.00 0.00 97 N 8.50 4.65 0.00 2.77 2.90 0.00 0.00 7.23 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 98 F 8.71 4.31 0.00 3.26 3.33 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 99 A 8.04 4.31 1.45 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 0.00 0.00 0.00 100 E 8.33 4.27 0.00 2.25 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.30 0.00 101 I 7.30 4.59 2.04 0.00 0.00 1.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.64 0.81 0.00 0.00 102 E 8.69 4.80 0.00 2.13 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 0.00 2.37 2.24 0.00 103 V 8.98 4.42 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.76 0.00 0.00 1.04 0.00 0.00 104 L 8.91 4.61 0.00 1.77 1.53 0.95 0.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.41 0.00 0.00 0.00 0.00 0.00 0.00 105 P 0.00 5.17 0.00 2.06 1.99 0.00 3.74 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 1.58 0.00 106 D 8.95 4.72 0.00 3.06 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 0.00 107 R 8.28 3.44 0.00 1.14 0.66 0.00 2.85 0.00 0.00 2.62 7.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.50 1.05 0.00 108 W 8.43 4.52 0.00 3.50 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 0.00 109 G 8.43 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 0.00 110 R 8.35 4.18 0.00 2.36 1.92 0.00 3.26 0.00 0.00 3.78 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.70 1.70 0.00 111 V 8.16 5.07 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 0.74 0.00 0.00 0.96 0.00 0.00 112 A 8.62 4.72 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 0.00 113 L 8.62 4.42 0.00 1.43 1.37 0.95 0.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.36 0.00 0.00 0.00 0.00 0.00 0.00 114 Q 9.28 4.40 0.00 2.02 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.55 6.92 0.00 0.00 0.00 0.00 0.00 2.21 2.26 0.00 115 L 8.21 4.84 0.00 1.38 1.42 0.14 0.60 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 0.00 116 K 8.70 4.53 0.00 1.74 1.86 0.00 1.46 0.00 0.00 1.64 0.00 0.00 2.83 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.44 1.37 7.81 117 G 8.83 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 0.00 118 E 9.27 3.89 0.00 2.07 2.19 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 2.45 2.41 0.00 119 V 8.09 3.75 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 1.03 0.00 0.00 1.11 0.00 0.00 120 A 8.08 3.84 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 0.00 121 A 8.11 3.91 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 122 K 8.78 4.10 0.00 2.34 2.30 0.00 1.63 0.00 0.00 1.76 0.00 0.00 3.02 0.00 0.00 2.99 0.00 0.00 0.00 0.00 1.60 1.61 7.81 123 L 8.14 3.28 0.00 0.85 1.43 -0.44 0.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.09 0.00 0.00 0.00 0.00 0.00 0.00 124 Q 7.94 4.19 0.00 2.24 2.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.22 6.59 0.00 0.00 0.00 0.00 0.00 2.35 2.29 0.00 125 E 7.88 4.06 0.00 2.18 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 0.00 2.59 2.49 0.00 126 S 8.17 4.41 0.00 4.27 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 0.00 127 I 7.87 4.50 1.65 0.00 0.00 0.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.61 0.84 0.00 0.00 128 G 8.19 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 0.00 0.00 0.00 129 D 8.56 4.52 0.00 2.70 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 0.00 130 V 8.11 4.86 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 0.66 0.00 0.00 0.89 0.00 0.00 131 E 9.27 4.72 0.00 2.00 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 2.20 2.26 0.00 132 L 8.66 5.46 0.00 1.54 1.57 0.86 0.95 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 0.00 133 A 9.05 4.79 1.20 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 0.00 0.00 134 L 8.54 5.32 0.00 1.62 1.52 0.96 0.86 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.40 0.00 0.00 0.00 0.00 0.00 0.00 135 S 8.71 4.79 0.00 3.94 3.63 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 0.00 136 I 8.26 5.21 1.89 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 1.24 0.81 0.99 0.00 0.00 137 S 8.99 4.80 0.00 3.85 3.64 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 0.00 138 H 8.27 5.36 0.00 3.29 3.21 0.00 5.81 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 0.00 139 D 9.21 4.67 0.00 2.73 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 0.00 140 G 8.26 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 0.00 0.00 0.00 141 D 8.76 4.70 0.00 2.56 2.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 142 Y 8.03 5.31 0.00 3.02 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 0.00 143 A 8.99 5.40 1.18 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 0.00 144 T 9.10 5.15 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 1.29 0.00 0.00 145 A 8.86 5.25 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.77 5.24 0.00 1.75 1.47 0.93 0.91 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 0.00 147 C 9.49 5.35 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 0.00 148 L 9.06 5.13 0.00 1.80 1.53 1.03 0.22 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 0.00 149 L 8.92 5.11 0.00 1.70 1.59 0.86 1.15 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 0.00 150 R 9.24 5.13 0.00 1.80 1.83 0.00 3.17 0.00 0.00 3.24 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.59 0.00 151 Y 8.83 5.06 0.00 3.05 2.95 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 0.00 152 Q 9.98 4.31 0.00 2.06 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.07 7.31 0.00 0.00 0.00 0.00 0.00 2.25 2.35 0.00 153 R 8.55 4.15 0.00 2.00 2.00 0.00 3.36 0.00 0.00 3.32 7.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.43 1.35 0.00 * Residues marked with a * may have inaccurate shift predictions.