NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1814 8.1633 120.2790 54.6628 33.0969 174.1813 2 K 3.9634 8.5016 126.3507 56.2631 32.4301 175.7329 3 G 3.9385 8.6714 113.6300 44.8525 0.0000 171.9144 4 D 4.5394 8.4795 119.8247 54.3912 41.8591 176.8082 5 T 3.8780 8.9902 123.1700 66.9535 68.5067 176.3954 6 K 3.8246 8.1394 120.7880 59.2046 32.2600 178.7699 7 V 3.9178 8.6677 118.9352 66.2008 31.4272 177.8755 8 I 3.7359 7.8434 119.4225 64.7194 36.9367 178.0850 9 N 4.2734 8.2431 117.0344 56.4282 38.3147 177.0993 10 Y 4.0467 8.0543 118.0855 61.0779 38.0253 178.4745 11 L 3.8663 8.4959 120.2158 58.0910 41.6839 179.4921 12 N 4.3935 8.5391 116.6392 55.9902 38.4045 177.4919 13 K 3.8683 8.0945 121.2647 59.3553 32.3146 178.9355 14 L 3.8030 8.1651 119.6478 57.5266 41.3775 178.9312 15 L 3.9882 7.7724 120.7846 58.2713 42.0320 179.0719 16 G 3.7257 8.1823 105.5853 48.1588 0.0000 175.1932 17 N 4.3487 8.0259 118.9531 56.0718 38.5578 177.3976 18 E 4.0008 8.3580 119.9248 59.3756 29.4109 179.3805 19 L 4.0017 8.1846 119.2963 57.6248 41.5511 179.8132 20 V 3.4729 7.6545 117.4499 65.9952 31.5298 177.9406 21 A 3.2365 7.9065 120.5038 54.7753 18.0803 179.3997 22 I 3.5641 7.9691 118.6685 64.8359 37.2232 178.4028 23 N 4.3577 7.7888 116.9352 56.3438 38.3215 177.4227 24 Q 3.8766 8.1736 121.2138 59.4747 29.0827 177.8965 25 Y 4.6039 8.2853 118.2616 60.8622 37.9591 178.1038 26 F 3.8076 8.4771 121.8382 61.0532 39.5369 176.9506 27 L 3.9552 8.2043 120.0054 58.5537 41.8536 178.4623 28 H 3.8182 8.3403 116.0498 58.7148 28.5612 177.3950 29 A 4.0645 8.0900 122.5770 55.5176 18.1759 179.8423 30 R 3.8587 7.6264 115.2295 58.4881 30.1265 179.2383 31 M 3.4544 7.7355 119.2643 58.1762 31.8559 178.3821 32 F 4.6406 7.5795 118.0232 60.6569 39.0222 177.7167 33 K 3.9316 8.2560 119.1180 59.5703 31.8270 178.1164 34 N 4.2435 7.9676 116.1671 56.6586 38.9016 176.1181 35 W 4.8313 7.9913 116.9110 57.0531 29.0674 177.1064 36 G 3.9823 8.5188 108.4434 46.0246 0.0000 174.2871 37 L 4.7331 8.2167 122.7598 52.6362 40.4471 177.0061 38 K 3.8685 8.1498 123.6411 59.6262 32.5949 177.6235 39 R 3.9038 8.1350 118.7852 59.4421 29.9003 178.5299 40 L 4.0494 7.7580 118.3955 57.5221 41.5765 178.6284 41 N 4.4417 8.3254 117.1042 56.8328 38.9041 176.5180 42 D 4.3996 8.2032 120.1200 57.4831 40.9759 179.0532 43 V 3.3617 7.6478 118.4009 65.9522 31.4760 177.6730 44 E 3.8592 8.5468 119.4673 59.3370 29.5031 178.1048 45 Y 3.9420 8.4101 120.0106 61.1078 38.9419 177.7961 46 H 4.1059 8.3827 116.7461 58.2355 28.7715 177.4329 47 E 3.8273 8.1176 121.8436 58.9471 29.4572 178.5401 48 S 4.2217 8.1712 113.3399 61.5568 62.4856 176.2099 49 I 3.5771 7.5657 122.3925 64.4337 36.7725 178.0831 50 D 4.2606 7.9425 119.5875 57.5291 40.5641 178.8333 51 E 4.0646 8.2037 118.7647 59.3358 29.3732 179.2865 52 M 4.0407 7.8690 118.9912 58.2681 31.9929 178.7683 53 K 3.9128 8.0936 118.6132 59.7645 32.2125 179.1029 54 H 4.1065 8.0379 116.1611 58.7919 28.6000 177.5927 55 A 4.2290 8.3701 122.9111 55.3444 18.1689 179.1202 56 D 4.2884 8.2761 116.4520 57.5858 41.3155 178.7173 57 R 3.8641 7.9260 118.4968 59.4040 30.0555 178.6523 58 Y 4.3161 7.8265 116.3898 61.1884 37.9172 178.6027 59 I 3.7605 8.2459 121.0599 64.6943 37.1973 178.4031 60 E 4.0437 8.4044 119.3053 59.2856 29.1759 179.4826 61 R 4.0347 8.2238 118.8077 59.5034 30.1463 178.5587 62 I 3.7622 8.4182 119.9851 64.4505 37.1115 178.4483 63 L 3.9984 8.1356 119.7175 57.7793 41.2622 179.2609 64 F 4.3380 8.4243 119.7603 61.3046 39.6857 176.4190 65 L 4.5256 8.0822 117.5382 53.9987 41.1807 177.3259 66 E 3.8423 8.0109 117.6712 57.2791 27.0677 174.5785 67 G 3.9339 7.9783 108.9185 44.1387 0.0000 173.6264 68 L 4.5355 8.0130 119.2221 51.9943 42.1106 175.0681 69 P 4.3644 0.0000 0.0000 62.5508 31.7685 175.9778 70 N 4.7096 9.6460 122.3312 52.4075 38.7797 174.0028 71 L 4.6074 8.3002 124.2563 54.5302 42.4840 177.4941 72 Q 4.0942 8.5118 121.9539 57.9895 29.3174 175.7994 73 D 4.6718 8.0816 117.4497 52.6266 41.9306 175.2299 74 L 4.5236 8.2925 125.7959 52.6999 43.7648 176.2027 75 G 3.8081 8.4527 115.3685 44.6673 0.0000 171.9732 76 K 4.0346 8.3049 120.6902 56.1153 32.4377 176.5157 77 L 4.2540 8.3036 126.3108 54.4827 42.3801 176.4894 78 N 4.8062 8.7486 120.1396 51.7041 39.1731 172.4710 79 I 4.2462 8.1142 124.2645 59.7291 38.1859 176.6392 80 G 4.0475 8.7669 114.6052 45.1516 0.0000 172.7774 81 E 4.7346 8.6100 117.6416 56.1925 31.0677 176.3628 82 D 4.9130 7.7011 117.9803 50.3164 44.0611 176.0734 83 V 4.0120 8.4078 118.8775 66.5217 31.3668 177.4976 84 E 3.8630 8.1917 118.2194 59.4029 29.5153 178.2236 85 E 3.9733 8.4048 118.8945 59.4319 29.6472 178.7531 86 M 4.0518 8.2656 118.7296 58.4276 32.0208 178.7301 87 L 4.1420 8.2045 119.1052 58.0102 41.7283 179.8235 88 R 3.9335 8.4079 118.3822 59.2379 29.9569 179.1585 89 S 4.1570 8.2384 113.0220 61.3932 62.3661 175.8070 90 D 4.6943 8.4429 121.7139 57.3807 40.5617 178.4994 91 L 3.9425 8.2392 120.5720 58.3254 42.1496 178.9316 92 A 4.0226 8.3700 120.9057 55.0252 18.2711 179.3801 93 L 3.9780 8.1251 118.9420 58.3685 42.1336 179.0987 94 E 4.1137 8.6155 118.7790 59.3757 29.4371 179.3095 95 L 4.0290 8.1924 119.1040 58.0306 41.7753 179.3321 96 D 4.5111 8.3781 118.9385 57.3424 40.6418 179.1766 97 G 3.6331 8.3558 106.1079 47.6341 0.0000 175.6817 98 A 4.0242 8.4911 123.6033 54.6347 18.4877 179.4594 99 K 3.8318 8.0235 118.1091 59.9426 32.3135 178.6949 100 N 4.3897 8.0954 116.3908 56.2777 38.3897 177.3001 101 L 3.9993 8.1802 120.5072 57.9718 41.7449 179.7803 102 R 3.8990 8.2603 118.1233 59.1805 30.0269 178.6894 103 E 3.8276 8.0254 118.2511 59.3071 29.6021 178.7429 104 A 2.8874 7.7297 120.6412 54.8220 18.4132 179.6299 105 I 3.7216 8.0892 118.8536 64.3762 36.9309 178.9062 106 G 3.5836 7.7594 105.5366 47.9654 0.0000 174.8899 107 Y 4.1193 7.9760 122.0396 60.1758 38.8775 177.3927 108 A 3.7771 8.2173 122.1407 55.2777 18.3962 179.0306 109 D 4.1365 7.8134 116.0509 57.4464 41.1205 178.4660 110 S 4.1876 7.5027 112.6116 60.0291 63.2921 175.6448 111 V 3.9984 6.8461 114.0286 60.7267 31.6446 175.5562 112 H 2.7670 7.0828 114.2368 56.6156 26.8857 176.4473 113 D 4.5196 7.3110 121.4221 53.7173 37.9865 176.1069 114 Y 4.3253 7.5326 121.3973 60.5345 38.4926 177.7667 115 V 3.7317 7.8847 113.1971 64.2281 31.7397 178.5029 116 S 4.1919 8.3398 114.9693 61.4906 62.5859 176.6107 117 R 3.8877 8.0124 121.3608 59.5467 29.7528 178.0380 118 D 4.3206 8.3661 117.9211 57.5700 41.3046 177.8233 119 M 3.9993 8.2035 118.6883 59.0446 32.1759 178.1817 120 M 4.1788 8.2435 118.8394 58.2945 32.0789 178.8470 121 I 3.7324 8.1807 120.5800 64.2936 37.2513 178.2183 122 E 3.9774 8.0047 119.2945 59.4833 29.2184 179.5246 123 I 3.5575 7.5691 119.2945 64.2102 37.0634 178.1861 124 L 3.9522 8.1463 121.3664 58.1170 42.0019 178.9716 125 R 3.9007 8.1563 118.6409 59.6313 30.1627 178.2665 126 D 4.4384 8.1931 118.6550 57.4226 40.7914 178.6890 127 E 4.1355 8.4528 119.3292 59.5079 29.4539 179.2365 128 E 4.2569 8.7539 119.2076 59.1766 29.4479 179.5605 129 G 3.6977 8.0844 105.5728 48.1467 0.0000 175.2775 130 H 4.4018 8.2041 120.3575 59.0159 29.8559 177.2703 131 I 3.6969 8.3286 122.1480 64.4659 36.9549 177.7819 132 D 4.3394 8.3764 118.7780 57.0664 40.9952 178.0750 133 W 4.0972 8.2714 128.7192 60.4738 30.7349 177.6616 134 L 3.7674 8.4090 119.0667 58.0262 41.1326 179.3843 135 E 3.8956 8.4583 118.5854 59.7441 29.2940 179.7391 136 T 3.7494 7.8670 115.5375 66.5364 68.5368 176.5123 137 E 3.6802 7.7187 120.6006 59.4285 29.0377 179.4604 138 L 3.7537 7.6956 118.7827 57.8769 41.5561 179.4341 139 D 4.3396 7.9808 118.7794 57.2658 40.6563 178.7358 140 L 3.9470 8.0495 119.7368 57.7669 41.5948 179.5674 141 I 3.3698 7.3713 119.7518 64.3673 36.7413 178.2820 142 Q 3.9135 7.3362 117.9052 58.9880 28.9587 177.8945 143 K 4.1464 8.0691 119.1635 58.6460 32.3157 178.2886 144 M 4.3858 8.3318 115.0112 53.9559 32.5216 177.2837 145 G 4.1051 7.5520 105.4958 45.9520 0.0000 174.3870 146 L 3.9581 8.4064 121.4893 58.0169 42.1807 179.2745 147 Q 3.9728 8.0843 117.4641 59.3281 28.7358 178.6937 148 N 4.3480 8.1380 116.7279 56.3228 38.3739 176.6746 149 Y 3.9226 7.9116 120.0776 60.6230 39.1416 177.8375 150 L 4.0302 8.4347 120.1993 57.9510 41.6550 179.1908 151 Q 3.8824 8.0984 119.1228 59.2107 28.7239 177.9862 152 A 4.0964 7.7428 119.4892 53.6801 18.7002 178.3219 153 Q 4.2283 7.9093 116.3452 55.9322 29.1968 177.3214 154 I 4.1499 7.3134 112.6846 61.5932 38.2271 176.1824 155 R 4.6594 7.5521 119.6711 53.8267 32.4402 175.4992 156 E 4.2431 8.5677 119.4137 55.9838 30.5689 175.6203 157 E 4.4950 8.4202 117.7985 54.3963 31.7081 176.2465 *158 G 3.7098 8.5931 110.1637 45.8758 0.0000 172.3646 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 8.16 4.18 0.00 1.41 1.79 0.00 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.46 0.00 2 K 8.50 3.96 0.00 1.71 1.72 0.00 1.77 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.88 0.00 0.00 0.00 0.00 1.39 1.46 7.81 3 G 8.67 3.94 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 0.00 4 D 8.48 4.54 0.00 2.77 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 5 T 8.99 3.88 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 1.18 0.00 0.00 6 K 8.14 3.82 0.00 1.71 2.06 0.00 1.38 0.00 0.00 1.41 0.00 0.00 2.53 0.00 0.00 2.39 0.00 0.00 0.00 0.00 0.30 0.96 7.81 7 V 8.67 3.92 2.37 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 1.04 0.00 0.00 1.13 0.00 0.00 8 I 7.84 3.74 2.06 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.61 0.91 0.00 0.00 9 N 8.24 4.27 0.00 2.61 2.66 0.00 0.00 7.09 7.10 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 10 Y 8.05 4.05 0.00 3.21 2.93 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 11 L 8.50 3.87 0.00 2.02 1.77 1.10 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.89 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.54 4.39 0.00 2.76 2.81 0.00 0.00 6.70 7.86 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 13 K 8.09 3.87 0.00 1.82 1.96 0.00 1.58 0.00 0.00 1.66 0.00 0.00 2.97 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.43 1.44 7.81 14 L 8.17 3.80 0.00 0.79 1.18 0.93 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 15 L 7.77 3.99 0.00 1.69 1.84 1.01 1.12 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 16 G 8.18 3.73 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 0.00 0.00 0.00 17 N 8.03 4.35 0.00 2.92 2.89 0.00 0.00 7.09 7.49 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 18 E 8.36 4.00 0.00 2.23 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 0.00 2.73 2.86 0.00 19 L 8.18 4.00 0.00 1.79 1.68 0.90 1.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.79 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.65 3.47 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 1.08 0.00 0.00 0.91 0.00 0.00 21 A 7.91 3.24 0.82 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 22 I 7.97 3.56 1.96 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 1.54 0.98 0.85 0.00 0.00 23 N 7.79 4.36 0.00 2.78 2.83 0.00 0.00 6.76 8.26 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 24 Q 8.17 3.88 0.00 2.02 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.81 0.00 0.00 0.00 0.00 0.00 2.60 2.22 0.00 25 Y 8.29 4.60 0.00 3.02 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 26 F 8.48 3.81 0.00 3.42 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 27 L 8.20 3.96 0.00 1.96 1.60 0.89 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.63 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.34 3.82 0.00 3.47 3.00 0.00 5.70 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 29 A 8.09 4.06 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 30 R 7.63 3.86 0.00 1.76 1.88 0.00 3.24 0.00 0.00 3.07 7.64 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 1.68 0.00 31 M 7.74 3.45 0.00 1.01 1.63 0.00 0.00 0.00 0.00 0.00 2.23 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.46 2.18 0.00 32 F 7.58 4.64 0.00 3.29 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 33 K 8.26 3.93 0.00 2.07 1.89 0.00 1.66 0.00 0.00 1.48 0.00 0.00 2.86 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.41 1.42 7.81 34 N 7.97 4.24 0.00 2.66 2.65 0.00 0.00 7.35 8.56 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 35 W 7.99 4.83 0.00 3.75 3.15 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 36 G 8.52 3.98 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 0.00 0.00 0.00 37 L 8.22 4.73 0.00 1.89 1.62 1.21 0.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 38 K 8.15 3.87 0.00 2.02 1.81 0.00 1.62 0.00 0.00 1.76 0.00 0.00 2.97 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.51 1.57 7.81 39 R 8.13 3.90 0.00 2.12 2.00 0.00 3.55 0.00 0.00 3.26 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.81 0.00 40 L 7.76 4.05 0.00 1.68 1.08 1.08 0.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.33 4.44 0.00 3.10 3.01 0.00 0.00 7.21 8.04 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 42 D 8.20 4.40 0.00 2.89 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 43 V 7.65 3.36 1.82 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 -0.42 0.00 0.00 0.77 0.00 0.00 44 E 8.55 3.86 0.00 2.48 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 0.00 2.59 2.55 0.00 45 Y 8.41 3.94 0.00 2.91 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 46 H 8.38 4.11 0.00 3.26 3.26 0.00 5.67 0.00 0.00 0.00 0.00 6.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 8.12 3.83 0.00 2.10 1.82 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 1.63 1.76 0.00 48 S 8.17 4.22 0.00 4.09 4.02 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 0.00 0.00 0.00 49 I 7.57 3.58 1.82 0.00 0.00 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.93 0.41 0.83 0.00 0.00 50 D 7.94 4.26 0.00 2.98 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 51 E 8.20 4.06 0.00 2.02 2.12 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 2.73 2.52 0.00 52 M 7.87 4.04 0.00 2.05 2.23 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.81 2.53 0.00 53 K 8.09 3.91 0.00 1.88 1.81 0.00 1.61 0.00 0.00 1.61 0.00 0.00 2.92 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.42 1.63 7.81 54 H 8.04 4.11 0.00 3.42 3.31 0.00 5.65 0.00 0.00 0.00 0.00 7.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 55 A 8.37 4.23 1.44 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 56 D 8.28 4.29 0.00 2.92 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 57 R 7.93 3.86 0.00 1.82 1.76 0.00 3.13 0.00 0.00 3.05 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 1.73 0.00 58 Y 7.83 4.32 0.00 3.21 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 59 I 8.25 3.76 2.03 0.00 0.00 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.57 1.00 0.95 0.00 0.00 60 E 8.40 4.04 0.00 2.03 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 2.35 2.50 0.00 61 R 8.22 4.03 0.00 2.13 2.21 0.00 3.34 0.00 0.00 3.25 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.86 0.00 62 I 8.42 3.76 2.07 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 1.58 0.67 0.98 0.00 0.00 63 L 8.14 4.00 0.00 2.11 1.79 0.95 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 0.00 0.00 0.00 0.00 0.00 0.00 64 F 8.42 4.34 0.00 2.94 3.38 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 65 L 8.08 4.53 0.00 1.85 1.62 1.03 0.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.18 0.00 0.00 0.00 0.00 0.00 0.00 66 E 8.01 3.84 0.00 2.07 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 2.15 2.25 0.00 67 G 7.98 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 0.00 0.00 0.00 68 L 8.01 4.54 0.00 1.59 1.62 0.92 0.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 69 P 0.00 4.36 0.00 2.05 2.02 0.00 3.66 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 2.05 2.11 0.00 70 N 9.65 4.71 0.00 2.60 2.81 0.00 0.00 7.08 8.33 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 71 L 8.30 4.61 0.00 1.62 1.63 0.93 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 72 Q 8.51 4.09 0.00 1.97 2.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.63 6.69 0.00 0.00 0.00 0.00 0.00 2.34 2.35 0.00 73 D 8.08 4.67 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 74 L 8.29 4.52 0.00 1.51 1.51 0.88 1.05 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 75 G 8.45 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 76 K 8.30 4.03 0.00 1.73 1.74 0.00 1.78 0.00 0.00 1.71 0.00 0.00 2.98 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.42 1.46 7.81 77 L 8.30 4.25 0.00 1.65 1.57 0.88 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.75 4.81 0.00 2.65 2.74 0.00 0.00 7.14 7.26 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 79 I 8.11 4.25 1.90 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 1.35 0.95 0.95 0.00 0.00 80 G 8.77 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 0.00 0.00 0.00 81 E 8.61 4.73 0.00 1.97 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 0.00 2.33 2.28 0.00 82 D 7.70 4.91 0.00 2.75 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 83 V 8.41 4.01 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 1.16 0.00 0.00 1.20 0.00 0.00 84 E 8.19 3.86 0.00 2.00 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 2.34 2.27 0.00 85 E 8.40 3.97 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 2.36 2.39 0.00 86 M 8.27 4.05 0.00 1.79 2.41 0.00 0.00 0.00 0.00 0.00 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.71 2.39 0.00 87 L 8.20 4.14 0.00 2.02 1.71 1.23 0.80 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 88 R 8.41 3.93 0.00 1.86 2.00 0.00 3.12 0.00 0.00 3.09 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.84 0.00 89 S 8.24 4.16 0.00 4.04 4.19 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 90 D 8.44 4.69 0.00 3.06 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 91 L 8.24 3.94 0.00 1.84 1.89 0.94 0.91 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 92 A 8.37 4.02 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 L 8.13 3.98 0.00 1.98 2.05 0.93 0.71 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 94 E 8.62 4.11 0.00 2.25 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 2.69 2.49 0.00 95 L 8.19 4.03 0.00 2.05 1.75 0.95 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.74 0.00 0.00 0.00 0.00 0.00 0.00 96 D 8.38 4.51 0.00 2.87 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 97 G 8.36 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 0.00 0.00 0.00 98 A 8.49 4.02 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 99 K 8.02 3.83 0.00 2.13 1.90 0.00 1.68 0.00 0.00 1.67 0.00 0.00 2.96 0.00 0.00 3.05 0.00 0.00 0.00 0.00 1.46 1.66 7.81 100 N 8.10 4.39 0.00 3.01 2.90 0.00 0.00 7.11 6.72 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 0.00 101 L 8.18 4.00 0.00 1.98 1.75 0.99 1.32 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 0.00 102 R 8.26 3.90 0.00 1.98 1.98 0.00 3.14 0.00 0.00 3.10 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 1.92 0.00 103 E 8.03 3.83 0.00 2.08 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 2.33 2.38 0.00 104 A 7.73 2.89 1.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 I 8.09 3.72 2.03 0.00 0.00 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 1.47 0.97 0.92 0.00 0.00 106 G 7.76 3.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 Y 7.98 4.12 0.00 3.15 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 0.00 108 A 8.22 3.78 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 0.00 109 D 7.81 4.14 0.00 2.86 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 0.00 110 S 7.50 4.19 0.00 4.00 3.88 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 0.00 111 V 6.85 4.00 1.94 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 0.49 0.00 0.00 0.64 0.00 0.00 112 H 7.08 2.77 0.00 3.15 3.27 0.00 5.84 0.00 0.00 0.00 0.00 6.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.31 4.52 0.00 2.63 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 0.00 114 Y 7.53 4.33 0.00 3.10 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 0.00 115 V 7.88 3.73 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 0.94 0.00 0.00 0.97 0.00 0.00 116 S 8.34 4.19 0.00 4.17 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 0.00 117 R 8.01 3.89 0.00 1.92 2.20 0.00 3.33 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 1.69 1.68 0.00 118 D 8.37 4.32 0.00 2.97 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 0.00 119 M 8.20 4.00 0.00 2.25 2.02 0.00 0.00 0.00 0.00 0.00 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.48 2.45 0.00 120 M 8.24 4.18 0.00 2.17 2.25 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.92 2.84 0.00 121 I 8.18 3.73 1.88 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 1.54 0.85 0.92 0.00 0.00 122 E 8.00 3.98 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 2.32 2.50 0.00 123 I 7.57 3.56 1.94 0.00 0.00 0.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.08 0.54 0.74 0.00 0.00 124 L 8.15 3.95 0.00 1.86 1.85 0.95 0.93 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.50 0.00 0.00 0.00 0.00 0.00 0.00 125 R 8.16 3.90 0.00 2.07 2.13 0.00 3.16 0.00 0.00 3.17 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.69 0.00 126 D 8.19 4.44 0.00 3.01 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 0.00 127 E 8.45 4.14 0.00 2.15 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 2.68 2.57 0.00 128 E 8.75 4.26 0.00 2.03 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.37 2.52 0.00 129 G 8.08 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 0.00 130 H 8.20 4.40 0.00 3.38 3.56 0.00 5.62 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 0.00 131 I 8.33 3.70 2.06 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 1.45 0.67 0.94 0.00 0.00 132 D 8.38 4.34 0.00 2.95 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 0.00 133 W 8.27 4.10 0.00 3.52 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 0.00 134 L 8.41 3.77 0.00 2.00 1.70 1.18 1.12 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 0.00 135 E 8.46 3.90 0.00 2.09 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 2.31 2.49 0.00 136 T 7.87 3.75 4.18 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 1.14 0.00 0.00 137 E 7.72 3.68 0.00 1.49 1.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 1.47 0.00 138 L 7.70 3.75 0.00 1.69 1.60 0.86 0.82 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 0.00 139 D 7.98 4.34 0.00 2.77 2.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 140 L 8.05 3.95 0.00 1.83 1.82 0.93 1.07 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 0.00 141 I 7.37 3.37 1.71 0.00 0.00 0.37 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.04 -0.32 0.71 0.00 0.00 142 Q 7.34 3.91 0.00 2.00 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 7.00 0.00 0.00 0.00 0.00 0.00 2.32 2.49 0.00 143 K 8.07 4.15 0.00 1.74 1.83 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.05 0.00 0.00 2.90 0.00 0.00 0.00 0.00 1.45 1.47 7.81 144 M 8.33 4.39 0.00 2.17 2.19 0.00 0.00 0.00 0.00 0.00 2.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.65 2.86 0.00 145 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 0.00 146 L 8.41 3.96 0.00 1.74 1.66 0.94 0.69 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 0.00 0.00 0.00 0.00 0.00 0.00 147 Q 8.08 3.97 0.00 2.13 2.14 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.38 6.68 0.00 0.00 0.00 0.00 0.00 2.44 2.45 0.00 148 N 8.14 4.35 0.00 2.96 2.88 0.00 0.00 6.67 7.48 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 149 Y 7.91 3.92 0.00 3.01 3.16 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 150 L 8.43 4.03 0.00 1.99 1.68 1.03 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.72 0.00 0.00 0.00 0.00 0.00 0.00 151 Q 8.10 3.88 0.00 2.10 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.85 0.00 0.00 0.00 0.00 0.00 2.32 2.36 0.00 152 A 7.74 4.10 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 0.00 153 Q 7.91 4.23 0.00 2.01 1.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.78 0.00 0.00 0.00 0.00 0.00 2.11 2.14 0.00 154 I 7.31 4.15 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 1.56 1.20 1.00 0.00 0.00 155 R 7.55 4.66 0.00 1.77 1.84 0.00 3.19 0.00 0.00 3.26 7.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 1.56 0.00 156 E 8.57 4.24 0.00 2.07 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 2.27 2.29 0.00 157 E 8.42 4.49 0.00 2.07 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 2.19 2.27 0.00 *158 G 8.59 3.71 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 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.