NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1449 8.1627 120.2757 54.7646 33.2252 173.9006 2 K 3.9477 8.4685 128.1320 55.9972 32.6038 175.1363 3 G 3.9783 8.7077 116.1256 45.0127 0.0000 171.5010 4 D 4.5708 8.4831 119.6077 54.3290 41.8488 177.0294 5 T 3.8679 8.9012 122.9244 66.8848 68.5146 176.5837 6 K 3.7986 8.1600 120.8986 59.1413 32.2531 178.8256 7 V 3.8940 8.6484 119.0450 66.2097 31.3803 178.0751 8 I 3.7827 7.7821 119.3089 64.4521 36.8466 178.0723 9 N 4.2290 8.3320 117.4466 56.4930 38.3518 177.0471 10 Y 4.0771 8.0432 117.9878 61.1284 38.0199 178.4258 11 L 3.8299 8.4561 120.2327 58.1447 41.6714 179.5552 12 N 4.3807 8.4620 116.4869 55.9277 38.4066 177.5158 13 K 3.8740 8.1794 121.4090 59.3824 32.3468 178.8625 14 L 3.8348 8.1876 119.6348 57.6547 41.3876 179.0650 15 L 4.0938 7.8579 120.7218 58.2930 41.9797 179.2719 16 G 3.6132 8.2190 105.7032 47.8568 0.0000 175.4097 17 N 4.3628 8.0386 118.7822 56.2833 38.4532 177.4613 18 E 4.1517 8.4204 120.2276 59.1948 29.2424 179.3130 19 L 4.2184 8.3972 120.4139 58.3252 40.5072 179.7685 20 V 3.6468 7.8364 120.2076 64.6288 31.3791 178.1144 21 A 3.8078 8.0974 121.5886 54.7921 18.1937 179.3149 22 I 3.7415 8.2929 118.6186 65.0109 37.2539 178.3982 23 N 4.3908 7.8155 115.5361 56.3569 38.3757 177.4300 24 Q 3.8375 8.3519 121.3023 59.3222 29.0905 177.8134 25 Y 4.3768 8.4205 118.2417 60.9994 37.9095 178.3447 26 F 3.8245 8.4359 121.6633 61.0791 39.5086 176.8939 27 L 3.9687 8.1995 120.0041 58.4786 41.8182 178.5051 28 H 3.8064 8.2295 115.8304 58.7522 28.6484 177.1956 29 A 4.1600 8.2908 122.8234 55.7737 18.1133 179.9536 30 R 3.8446 7.7993 115.3528 58.6261 30.0400 179.2838 31 M 3.4189 7.7913 119.3078 58.1655 31.8086 178.2986 32 F 4.5787 7.4720 118.1851 60.7852 39.1273 177.8004 33 K 3.9347 8.2172 118.9568 59.4740 31.8023 178.1842 34 N 4.2615 7.9904 116.3014 56.6424 38.9856 176.4120 35 W 4.7465 7.9803 117.5612 57.6916 29.5152 177.2452 36 G 3.9926 8.4597 108.3170 45.8957 0.0000 174.1226 37 L 4.6466 8.2150 121.9570 52.9024 38.3367 177.2113 38 K 3.8218 7.9378 122.7277 60.0287 32.5182 177.3077 39 R 3.9716 8.1406 118.5448 59.1852 30.0616 178.4363 40 L 4.1068 7.7618 118.4127 57.3892 41.5737 178.7976 41 N 4.5311 8.1589 116.8358 56.7693 38.9486 176.5466 42 D 4.3083 8.1188 120.2433 57.4349 40.9862 179.1388 43 V 3.3448 7.6992 118.4125 66.1147 31.4619 178.0062 44 E 3.7932 8.2667 118.3184 59.1723 29.2431 178.7058 45 Y 3.8719 8.1047 119.7726 61.1416 38.9802 178.0699 46 H 4.1353 8.1637 116.7217 58.5600 28.6936 177.6230 47 E 3.6472 7.7602 120.7282 58.6812 29.1467 178.8320 48 S 4.1599 7.8881 113.4756 61.6561 62.4383 176.3586 49 I 3.5693 7.3626 122.2622 64.2020 36.8569 177.8578 50 D 4.1722 7.7332 118.6776 57.5619 41.0448 178.3789 51 E 4.2841 8.1406 120.0942 58.8821 29.2908 179.3052 52 M 4.0535 8.0433 119.1329 58.3047 32.0018 178.7240 53 K 3.8870 7.9651 118.6156 59.7795 32.1518 179.1381 54 H 4.0679 7.9627 115.8408 58.7160 28.6019 177.5358 55 A 4.2032 8.2301 122.7268 55.3382 18.1331 178.9245 56 D 4.3090 8.3138 116.6098 57.8323 41.2648 178.9132 57 R 3.8634 7.8042 118.2703 59.3595 30.0073 178.6467 58 Y 4.3593 7.8415 116.5342 61.2474 37.9127 178.7621 59 I 3.7807 8.2725 121.0267 64.6424 37.2695 178.4594 60 E 4.0753 8.5273 119.5572 59.1323 29.1491 179.5263 61 R 4.0497 8.0149 118.8982 59.5253 30.2876 178.3097 62 I 3.7715 8.4519 119.9676 64.6795 37.1355 178.4120 63 L 4.0710 8.0955 119.5948 57.7038 41.2368 179.3055 64 F 4.3742 8.1468 119.6650 61.2268 39.6787 176.4613 65 L 4.3025 8.2432 117.8232 53.8511 41.1905 177.1014 66 E 3.8528 7.9885 117.5875 57.4576 27.0947 174.4421 67 G 3.9612 8.3134 108.3911 43.9987 0.0000 173.6642 68 L 4.5339 8.0134 119.0323 52.0108 42.0529 175.1539 69 P 4.4071 0.0000 0.0000 62.5053 31.7943 176.0406 70 N 4.7157 9.4201 122.0843 52.4206 38.7388 173.9689 71 L 4.6140 8.3220 124.1920 54.5612 42.4943 177.5047 72 Q 4.1317 8.4805 121.7526 58.2599 29.3594 175.9545 73 D 4.6482 8.0421 116.8091 53.0632 41.8484 175.3251 74 L 4.5818 8.2790 125.1678 52.7363 44.1635 176.3331 75 G 3.7973 8.5087 115.1613 44.6125 0.0000 172.1690 76 K 4.0182 8.3143 120.6539 56.0635 32.2960 176.4045 77 L 4.1274 8.3346 126.7666 54.4358 42.3135 176.2027 78 N 4.8252 8.8532 120.5503 52.0549 40.4366 174.2506 79 I 3.8895 8.5597 126.7465 64.0874 37.7774 178.1121 80 G 4.1642 8.2882 102.2850 45.9397 0.0000 172.5978 81 E 4.7444 8.6989 116.5420 55.7473 31.7667 176.1817 82 D 5.0467 7.7169 117.6903 50.3367 44.0644 176.1218 83 V 4.0276 8.4943 118.6040 66.6163 31.3519 177.2692 84 E 3.8310 8.2367 117.9594 59.5411 29.4639 178.1805 85 E 4.0026 8.6392 119.2923 59.6512 29.6849 178.7391 86 M 4.2519 8.4556 117.2328 58.1967 31.3732 178.6217 87 L 4.1629 8.6777 120.4787 57.6873 41.7593 179.4000 88 R 3.8981 8.6282 119.0503 59.4074 30.0627 178.5694 89 S 4.1181 8.1324 113.1722 61.2906 62.4030 175.8211 90 D 4.2591 8.1826 121.6393 57.1306 40.5391 178.3826 91 L 4.0162 8.2682 120.7204 58.3158 42.1062 178.8644 92 A 4.0056 8.2502 120.7582 55.0920 18.2565 179.4063 93 L 3.9026 7.8917 118.5584 58.3314 42.1418 179.0600 94 E 4.0695 8.3754 118.5608 59.4283 29.5453 179.2820 95 L 4.0438 8.1705 119.0737 58.0867 41.7476 179.4348 96 D 4.5303 8.4574 118.9673 57.1872 40.6319 179.0895 97 G 3.6414 8.3385 106.2808 47.5364 0.0000 175.6953 98 A 4.0231 8.5058 123.5820 54.7049 18.3580 179.5483 99 K 3.8508 7.9504 117.6619 59.9216 32.2641 178.6320 100 N 4.3615 8.0889 116.5193 56.4381 38.3980 177.4035 101 L 3.9722 8.2409 120.4175 57.8265 41.6136 179.6934 102 R 3.8873 8.2916 118.3451 59.1607 30.1210 178.7466 103 E 3.8191 8.1232 118.6568 59.2864 29.6446 178.5556 104 A 2.7688 7.8137 120.9784 54.8811 18.4367 179.6141 105 I 3.7028 7.9078 118.4107 64.5306 37.0670 178.9479 106 G 3.5989 7.8205 106.3462 47.8662 0.0000 175.2137 107 Y 4.0335 8.1248 122.7450 59.7318 38.8560 177.4023 108 A 3.8313 8.2476 122.1040 55.3351 18.5137 179.0883 109 D 4.0870 7.9003 116.2253 57.3491 41.3258 178.4977 110 S 4.1260 7.4938 114.4861 60.2683 62.9825 175.7318 111 V 4.0366 6.7777 114.0620 60.7357 31.4377 175.8959 112 H 2.8252 6.9392 113.7746 56.6604 27.0247 176.4424 113 D 4.5379 7.3913 121.2438 53.4543 37.6776 176.2643 114 Y 4.3273 7.4247 121.4067 60.5982 38.4041 178.2729 115 V 3.7462 7.8490 119.9575 64.7445 31.8231 178.2798 116 S 4.1623 8.4102 115.9270 61.4460 62.6038 176.7057 117 R 3.8866 8.1393 121.1171 59.4882 29.9491 178.0530 118 D 4.3078 8.2958 117.7824 57.5807 41.3861 177.7793 119 M 4.0122 8.2852 118.8475 59.0700 32.1604 178.1411 120 M 4.1756 8.2586 118.8515 58.3892 32.1088 178.8612 121 I 3.7303 8.1418 120.4018 64.3317 37.3093 178.2769 122 E 3.9790 8.0639 118.9992 59.4091 29.2794 179.4669 123 I 3.4917 7.5834 119.4429 64.2622 37.1802 178.1792 124 L 3.9674 8.1147 121.2821 58.1641 41.9830 178.9667 125 R 3.9577 8.0921 118.6460 59.5934 30.0052 178.3056 126 D 4.3641 8.0035 118.6013 57.1500 40.7657 178.6946 127 E 3.9164 8.2056 119.2920 59.3605 29.4771 178.6606 128 E 4.1301 8.7770 119.9091 59.3284 29.5599 179.1470 129 G 3.6610 7.9421 105.2421 48.2315 0.0000 175.3678 130 H 4.4374 8.0678 119.0005 58.5985 28.6789 177.7695 131 I 3.8110 8.4186 122.0292 64.5613 37.0041 177.7424 132 D 4.3692 8.4297 118.7804 57.1910 41.0042 178.2048 133 W 4.1228 8.3584 128.6338 60.4911 30.7410 177.8126 134 L 3.7929 8.5627 119.2243 57.8979 41.0913 179.3574 135 E 3.9143 8.3887 118.4977 59.7207 29.3103 179.6456 136 T 3.7690 7.8360 115.5534 66.5406 68.5343 176.4350 137 E 3.7295 7.6788 120.4591 59.4914 29.0842 179.4497 138 L 3.7823 7.7570 118.8000 57.9678 41.6108 179.4761 139 D 4.3753 8.1949 118.7996 57.1303 40.6238 178.7492 140 L 3.9781 8.0263 119.9589 57.7220 41.7046 179.4643 141 I 3.3825 7.3736 119.7133 64.5037 36.7466 178.5423 142 Q 3.9729 7.3537 116.3045 58.7872 28.5902 178.5665 143 K 4.1460 8.0070 119.0792 58.7724 32.2950 178.3975 144 M 4.4093 8.3643 114.7979 53.9524 32.4987 177.3227 145 G 4.0964 7.4993 104.9390 45.9311 0.0000 174.4529 146 L 3.9355 8.4053 121.0833 58.0521 42.1806 179.1642 147 Q 4.0036 8.1075 117.4659 59.4007 28.8133 178.7699 148 N 4.3704 8.1737 116.6543 56.3982 38.3470 176.7519 149 Y 4.0009 7.8019 120.2306 60.5690 39.1896 177.6884 150 L 4.0642 8.2987 120.1761 57.9502 41.6601 179.2291 151 Q 3.9981 8.1364 119.1583 59.0781 28.7225 177.7292 152 A 4.1665 7.5100 118.8706 53.3673 18.8064 178.1989 153 Q 4.2809 8.0052 116.3808 55.7659 29.2122 177.6105 154 I 4.0264 7.2938 120.9674 62.7042 37.4667 176.5138 155 R 4.6712 7.5555 118.0271 53.7755 32.2639 175.5947 156 E 4.1235 8.4665 119.7936 55.8899 30.5211 175.8778 157 E 4.0369 8.5501 122.4064 55.5114 30.3753 176.6217 *158 G 3.7328 8.6140 114.2079 45.8887 0.0000 172.1459 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 4.14 0.00 1.50 1.74 0.00 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.43 0.00 2 K 8.47 3.95 0.00 1.84 1.68 0.00 1.80 0.00 0.00 1.68 0.00 0.00 2.86 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.37 1.47 7.81 3 G 8.71 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 4 D 8.48 4.57 0.00 2.78 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 8.90 3.87 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 8.16 3.80 0.00 1.69 1.96 0.00 1.45 0.00 0.00 1.10 0.00 0.00 2.40 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.56 0.96 7.81 7 V 8.65 3.89 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 1.08 0.00 0.00 1.22 0.00 0.00 8 I 7.78 3.78 2.03 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 1.55 0.67 0.91 0.00 0.00 9 N 8.33 4.23 0.00 2.63 2.63 0.00 0.00 7.05 7.78 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 10 Y 8.04 4.08 0.00 3.20 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 11 L 8.46 3.83 0.00 1.99 1.76 1.05 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.88 0.00 0.00 0.00 0.00 0.00 0.00 12 N 8.46 4.38 0.00 2.88 2.82 0.00 0.00 6.69 8.73 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 13 K 8.18 3.87 0.00 1.74 1.97 0.00 1.59 0.00 0.00 1.61 0.00 0.00 2.99 0.00 0.00 3.19 0.00 0.00 0.00 0.00 1.45 1.46 7.81 14 L 8.19 3.83 0.00 0.92 1.24 0.89 0.52 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 15 L 7.86 4.09 0.00 1.72 1.85 1.04 1.12 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 16 G 8.22 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 0.00 0.00 0.00 17 N 8.04 4.36 0.00 3.00 2.92 0.00 0.00 7.04 7.79 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 18 E 8.42 4.15 0.00 2.26 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 0.00 2.78 2.84 0.00 19 L 8.40 4.22 0.00 1.88 1.96 0.95 1.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 20 V 7.84 3.65 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 0.97 0.00 0.00 0.90 0.00 0.00 21 A 8.10 3.81 1.47 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 0.00 0.00 22 I 8.29 3.74 2.05 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 1.75 0.71 0.91 0.00 0.00 23 N 7.82 4.39 0.00 2.93 2.86 0.00 0.00 6.76 7.75 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 24 Q 8.35 3.84 0.00 1.98 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.37 6.81 0.00 0.00 0.00 0.00 0.00 2.23 2.12 0.00 25 Y 8.42 4.38 0.00 3.16 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 26 F 8.44 3.82 0.00 3.44 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 27 L 8.20 3.97 0.00 1.95 1.58 0.88 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 28 H 8.23 3.81 0.00 3.57 3.29 0.00 5.72 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 8.29 4.16 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 30 R 7.80 3.84 0.00 1.73 1.88 0.00 3.26 0.00 0.00 3.07 7.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 1.67 0.00 31 M 7.79 3.42 0.00 0.87 1.60 0.00 0.00 0.00 0.00 0.00 1.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 2.13 0.00 32 F 7.47 4.58 0.00 3.30 3.28 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 33 K 8.22 3.93 0.00 2.04 1.91 0.00 1.57 0.00 0.00 1.58 0.00 0.00 2.83 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.39 1.42 7.81 34 N 7.99 4.26 0.00 2.68 2.67 0.00 0.00 7.33 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 35 W 7.98 4.75 0.00 3.74 3.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 36 G 8.46 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 37 L 8.22 4.65 0.00 2.22 1.69 1.06 1.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.22 0.00 0.00 0.00 0.00 0.00 0.00 38 K 7.94 3.82 0.00 1.99 1.84 0.00 1.59 0.00 0.00 1.75 0.00 0.00 2.97 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.51 1.58 7.81 39 R 8.14 3.97 0.00 2.05 2.00 0.00 3.46 0.00 0.00 3.23 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.79 0.00 40 L 7.76 4.11 0.00 1.70 1.08 1.05 0.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 0.00 0.00 0.00 0.00 41 N 8.16 4.53 0.00 3.13 3.02 0.00 0.00 7.12 7.83 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 42 D 8.12 4.31 0.00 2.88 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 43 V 7.70 3.34 1.75 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 -0.52 0.00 0.00 0.78 0.00 0.00 44 E 8.27 3.79 0.00 2.29 2.33 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 2.47 3.01 0.00 45 Y 8.10 3.87 0.00 2.94 3.01 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 46 H 8.16 4.14 0.00 3.24 3.22 0.00 5.66 0.00 0.00 0.00 0.00 6.95 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47 E 7.76 3.65 0.00 1.26 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 1.47 1.81 0.00 48 S 7.89 4.16 0.00 3.96 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 49 I 7.36 3.57 1.83 0.00 0.00 0.51 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.91 0.48 0.84 0.00 0.00 50 D 7.73 4.17 0.00 2.91 2.66 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 51 E 8.14 4.28 0.00 2.13 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 0.00 2.73 2.68 0.00 52 M 8.04 4.05 0.00 2.04 2.22 0.00 0.00 0.00 0.00 0.00 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.74 2.55 0.00 53 K 7.97 3.89 0.00 1.88 1.81 0.00 1.62 0.00 0.00 1.61 0.00 0.00 2.90 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.42 1.64 7.81 54 H 7.96 4.07 0.00 3.53 3.26 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 8.23 4.20 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 8.31 4.31 0.00 2.89 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 57 R 7.80 3.86 0.00 1.80 1.80 0.00 3.14 0.00 0.00 3.08 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.73 0.00 58 Y 7.84 4.36 0.00 3.22 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 59 I 8.27 3.78 2.06 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 1.58 0.82 0.95 0.00 0.00 60 E 8.53 4.08 0.00 2.02 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 2.47 0.00 61 R 8.01 4.05 0.00 2.14 2.20 0.00 3.36 0.00 0.00 3.26 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.76 1.86 0.00 62 I 8.45 3.77 2.06 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 1.58 0.63 0.99 0.00 0.00 63 L 8.10 4.07 0.00 2.10 1.79 0.99 1.07 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 64 F 8.15 4.37 0.00 2.97 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 65 L 8.24 4.30 0.00 1.84 1.63 1.04 0.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.19 0.00 0.00 0.00 0.00 0.00 0.00 66 E 7.99 3.85 0.00 2.07 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 2.17 2.27 0.00 67 G 8.31 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 68 L 8.01 4.53 0.00 1.60 1.62 0.92 0.99 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 69 P 0.00 4.41 0.00 2.06 2.02 0.00 3.66 0.00 0.00 3.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.11 0.00 70 N 9.42 4.72 0.00 2.59 2.78 0.00 0.00 7.08 7.70 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 71 L 8.32 4.61 0.00 1.63 1.65 0.94 0.97 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 72 Q 8.48 4.13 0.00 1.99 2.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.59 6.75 0.00 0.00 0.00 0.00 0.00 2.33 2.36 0.00 73 D 8.04 4.65 0.00 2.69 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 8.28 4.58 0.00 1.52 1.50 0.91 1.05 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 75 G 8.51 3.80 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 0.00 0.00 0.00 76 K 8.31 4.02 0.00 1.72 1.74 0.00 1.77 0.00 0.00 1.70 0.00 0.00 2.97 0.00 0.00 2.87 0.00 0.00 0.00 0.00 1.41 1.45 7.81 77 L 8.33 4.13 0.00 1.64 1.56 0.90 0.97 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 78 N 8.85 4.83 0.00 2.62 2.69 0.00 0.00 7.19 7.23 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 79 I 8.56 3.89 1.89 0.00 0.00 0.81 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.93 0.92 0.00 0.00 80 G 8.29 4.16 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 0.00 0.00 0.00 81 E 8.70 4.74 0.00 2.00 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 0.00 2.27 2.31 0.00 82 D 7.72 5.05 0.00 2.82 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 83 V 8.49 4.03 2.20 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.04 0.00 0.00 1.22 0.00 0.00 84 E 8.24 3.83 0.00 2.03 1.93 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 2.33 2.28 0.00 85 E 8.64 4.00 0.00 2.39 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 2.35 2.36 0.00 86 M 8.46 4.25 0.00 2.29 1.76 0.00 0.00 0.00 0.00 0.00 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.06 0.00 87 L 8.68 4.16 0.00 2.03 1.78 1.25 0.73 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 88 R 8.63 3.90 0.00 2.09 1.95 0.00 3.09 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 1.63 1.63 0.00 89 S 8.13 4.12 0.00 4.05 4.06 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 0.00 0.00 0.00 90 D 8.18 4.26 0.00 3.14 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 91 L 8.27 4.02 0.00 1.82 1.91 0.99 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 92 A 8.25 4.01 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 93 L 7.89 3.90 0.00 1.91 1.81 0.91 0.75 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 94 E 8.38 4.07 0.00 2.27 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.62 2.72 0.00 95 L 8.17 4.04 0.00 2.04 1.75 0.96 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 8.46 4.53 0.00 2.71 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 97 G 8.34 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 0.00 0.00 0.00 98 A 8.51 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 99 K 7.95 3.85 0.00 2.07 2.00 0.00 1.67 0.00 0.00 1.66 0.00 0.00 2.96 0.00 0.00 3.02 0.00 0.00 0.00 0.00 1.46 1.50 7.81 100 N 8.09 4.36 0.00 3.01 2.91 0.00 0.00 7.13 6.73 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 0.00 101 L 8.24 3.97 0.00 1.97 1.73 0.98 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.66 0.00 0.00 0.00 0.00 0.00 0.00 102 R 8.29 3.89 0.00 1.97 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 1.89 0.00 103 E 8.12 3.82 0.00 2.07 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 2.36 2.38 0.00 104 A 7.81 2.77 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 7.91 3.70 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 1.46 1.17 0.91 0.00 0.00 106 G 7.82 3.60 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 107 Y 8.12 4.03 0.00 3.20 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 0.00 108 A 8.25 3.83 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 0.00 109 D 7.90 4.09 0.00 2.87 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 7.49 4.13 0.00 3.92 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 0.00 111 V 6.78 4.04 1.93 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 0.46 0.00 0.00 0.69 0.00 0.00 112 H 6.94 2.83 0.00 3.17 3.31 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 7.39 4.54 0.00 2.63 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 0.00 114 Y 7.42 4.33 0.00 3.11 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 0.00 115 V 7.85 3.75 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 0.91 0.00 0.00 0.97 0.00 0.00 116 S 8.41 4.16 0.00 4.18 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 0.00 117 R 8.14 3.89 0.00 1.91 2.21 0.00 3.31 0.00 0.00 3.24 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.67 0.00 118 D 8.30 4.31 0.00 3.01 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 0.00 119 M 8.29 4.01 0.00 2.26 2.04 0.00 0.00 0.00 0.00 0.00 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.50 2.49 0.00 120 M 8.26 4.18 0.00 2.16 2.27 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 2.93 2.82 0.00 121 I 8.14 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 1.53 1.02 0.92 0.00 0.00 122 E 8.06 3.98 0.00 1.97 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 2.47 2.48 0.00 123 I 7.58 3.49 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 1.01 0.69 0.78 0.00 0.00 124 L 8.11 3.97 0.00 1.85 1.85 0.99 0.87 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 0.00 125 R 8.09 3.96 0.00 2.01 2.11 0.00 3.15 0.00 0.00 3.16 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 1.68 0.00 126 D 8.00 4.36 0.00 2.94 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 8.21 3.92 0.00 2.15 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 0.00 2.62 2.51 0.00 128 E 8.78 4.13 0.00 2.26 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 2.34 2.38 0.00 129 G 7.94 3.66 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 130 H 8.07 4.44 0.00 3.54 3.54 0.00 5.66 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 8.42 3.81 2.12 0.00 0.00 0.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.86 0.97 0.00 0.00 132 D 8.43 4.37 0.00 2.96 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 0.00 133 W 8.36 4.12 0.00 3.54 3.45 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 0.00 134 L 8.56 3.79 0.00 1.98 1.77 1.39 1.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 135 E 8.39 3.91 0.00 2.20 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 2.34 2.50 0.00 136 T 7.84 3.77 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 1.16 0.00 0.00 137 E 7.68 3.73 0.00 1.55 1.65 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 1.47 1.47 0.00 138 L 7.76 3.78 0.00 1.72 1.62 0.89 0.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.62 0.00 0.00 0.00 0.00 0.00 0.00 139 D 8.19 4.38 0.00 2.76 2.66 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 0.00 140 L 8.03 3.98 0.00 1.85 1.84 0.95 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 0.00 0.00 0.00 0.00 0.00 0.00 141 I 7.37 3.38 1.69 0.00 0.00 0.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 -0.17 0.13 0.70 0.00 0.00 142 Q 7.35 3.97 0.00 2.01 2.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.31 6.98 0.00 0.00 0.00 0.00 0.00 2.47 2.49 0.00 143 K 8.01 4.15 0.00 1.72 1.85 0.00 1.67 0.00 0.00 1.74 0.00 0.00 3.05 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.45 1.64 7.81 144 M 8.36 4.41 0.00 2.17 2.20 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 2.60 2.85 0.00 145 G 7.50 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 146 L 8.41 3.94 0.00 1.74 1.66 0.94 0.83 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 0.00 147 Q 8.11 4.00 0.00 2.14 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.39 6.67 0.00 0.00 0.00 0.00 0.00 2.45 2.46 0.00 148 N 8.17 4.37 0.00 2.97 2.89 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 7.80 4.00 0.00 3.03 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 0.00 150 L 8.30 4.06 0.00 1.96 1.70 1.06 1.17 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 8.14 4.00 0.00 2.12 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.87 0.00 0.00 0.00 0.00 0.00 2.33 2.37 0.00 152 A 7.51 4.17 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 0.00 153 Q 8.01 4.28 0.00 1.99 2.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6.94 6.75 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 154 I 7.29 4.03 2.00 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 1.32 0.87 0.91 0.00 0.00 155 R 7.56 4.67 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.26 7.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 1.56 0.00 156 E 8.47 4.12 0.00 2.11 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 2.26 2.28 0.00 157 E 8.55 4.04 0.00 1.96 1.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.28 2.30 0.00 *158 G 8.61 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 * Residues marked with a * may have inaccurate shift predictions.