NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.1442 8.1627 120.2759 54.7717 33.2411 173.9032 2 K 3.9436 8.4615 128.0993 55.9714 32.6028 175.1397 3 G 3.9753 8.7387 116.1729 45.0413 0.0000 171.4893 4 D 4.5791 8.4802 119.6056 54.2963 41.8640 177.0579 5 T 3.8715 8.8858 122.9014 66.8662 68.5020 176.5973 6 K 3.8057 8.1624 120.9245 59.1262 32.2647 178.8264 7 V 3.8871 8.6951 119.1183 66.2060 31.3821 178.0546 8 I 3.7751 7.7704 119.2638 64.4781 36.8535 178.0784 9 N 4.2356 8.3217 117.4020 56.4876 38.3516 177.0543 10 Y 4.0763 8.0603 118.0397 61.1182 38.0101 178.4236 11 L 3.8220 8.4705 120.2213 58.1499 41.6751 179.5567 12 N 4.3900 8.4884 116.5195 55.8945 38.4009 177.5367 13 K 3.8703 8.1665 121.4069 59.4084 32.3553 178.8579 14 L 3.8416 8.1997 119.6139 57.6455 41.3866 179.0701 15 L 4.0920 7.8540 120.7216 58.2838 41.9864 179.2610 16 G 3.6208 8.2132 105.6917 47.8834 0.0000 175.3910 17 N 4.3627 8.0544 118.8074 56.2658 38.4379 177.4597 18 E 4.1535 8.4330 120.2277 59.2075 29.1194 179.3209 19 L 4.2184 8.3657 120.3464 58.3340 40.5099 179.7700 20 V 3.6325 7.8384 120.1937 64.6072 31.3917 178.1079 21 A 3.8098 8.0764 121.5797 54.8181 18.2047 179.3194 22 I 3.7412 8.2967 118.5991 64.9993 37.2321 178.3946 23 N 4.3905 7.8216 115.6506 56.3636 38.3706 177.4235 24 Q 3.8299 8.3387 121.2719 59.3296 29.1118 177.8238 25 Y 4.3677 8.4412 118.2342 60.9782 37.9086 178.2768 26 F 3.8188 8.4509 121.6705 61.0852 39.4967 176.8728 27 L 3.9684 8.2242 120.0207 58.4876 41.8241 178.5215 28 H 3.8068 8.2397 115.8143 58.7457 28.6578 177.1998 29 A 4.1596 8.3162 122.8546 55.7813 18.1037 179.9454 30 R 3.8574 7.8012 115.3526 58.6246 30.0483 179.2861 31 M 3.4179 7.7948 119.2966 58.1677 31.8166 178.3091 32 F 4.5917 7.5088 118.2083 60.7830 39.1380 177.7837 33 K 3.9353 8.1342 118.9513 59.4950 31.8013 178.2359 34 N 4.2765 7.9776 116.2522 56.5895 38.9977 176.4114 35 W 4.7513 7.9968 117.7009 57.6758 29.5806 177.2418 36 G 3.9898 8.4282 108.2657 45.9331 0.0000 174.1497 37 L 4.6335 8.1943 121.7696 52.9779 38.3984 177.3037 38 K 3.8180 7.9411 122.6481 60.0413 32.5138 177.2807 39 R 3.9741 8.1405 118.5410 59.1660 30.0480 178.4294 40 L 4.1099 7.7589 118.4126 57.3737 41.5783 178.8037 41 N 4.5266 8.1581 116.9518 56.7628 38.9496 176.5307 42 D 4.3144 8.1168 120.2589 57.4544 40.9710 179.1645 43 V 3.3416 7.7020 118.3901 66.1091 31.4606 178.0058 44 E 3.7960 8.2831 118.3376 59.1586 29.2472 178.7025 45 Y 3.8647 8.0926 119.7715 61.1439 39.0176 178.0855 46 H 4.1328 8.1469 116.6631 58.5092 28.6880 177.6141 47 E 3.6479 7.7129 120.7859 58.6737 29.1749 178.8051 48 S 4.1520 7.8775 113.4534 61.6455 62.4432 176.3397 49 I 3.5698 7.3675 122.2577 64.2276 36.8678 177.8544 50 D 4.1744 7.7134 118.5700 57.5600 41.0614 178.3721 51 E 4.2794 8.1180 120.1167 58.8580 29.2940 179.2827 52 M 4.0550 8.0585 119.1078 58.3237 32.0076 178.7102 53 K 3.8815 7.9627 118.5905 59.8269 32.1718 179.1260 54 H 4.0752 8.0522 115.8112 58.7037 28.5635 177.5976 55 A 4.2069 8.2244 122.6809 55.2820 18.1539 178.9329 56 D 4.3055 8.3397 116.7103 57.8206 41.2714 178.9125 57 R 3.8626 7.8024 118.2815 59.3674 30.0182 178.6531 58 Y 4.3552 7.8194 116.5104 61.2400 37.9204 178.7661 59 I 3.7870 8.2211 120.9673 64.6315 37.2800 178.4630 60 E 4.0784 8.5112 119.5184 59.1194 29.1237 179.5153 61 R 4.0642 8.0124 118.9150 59.4841 30.2925 178.3129 62 I 3.7642 8.4397 119.9663 64.6450 37.1321 178.4144 63 L 4.0655 8.0944 119.6149 57.7326 41.2408 179.3110 64 F 4.3826 8.1161 119.6197 61.2120 39.6505 176.4296 65 L 4.2790 8.2171 117.8338 53.8082 41.2208 177.0876 66 E 3.8590 7.9999 117.5971 57.4598 27.0896 174.4187 67 G 3.9680 8.3257 108.4002 43.9821 0.0000 173.6316 68 L 4.5325 8.0183 119.0522 52.0198 42.0449 175.1532 69 P 4.4087 0.0000 0.0000 62.5029 31.7921 176.0489 70 N 4.7156 9.4029 122.1278 52.4222 38.7130 173.9327 71 L 4.6205 8.3197 124.1312 54.5552 42.4882 177.5110 72 Q 4.1336 8.4804 121.8080 58.2574 29.3609 175.9604 73 D 4.6491 8.0425 116.7913 53.0606 41.8510 175.3385 74 L 4.5803 8.2795 125.1363 52.7467 44.1700 176.3316 75 G 3.7983 8.5090 115.1673 44.5925 0.0000 172.1721 76 K 4.0179 8.3132 120.6620 56.0674 32.2998 176.3971 77 L 4.1305 8.3300 126.7547 54.4328 42.3181 176.2241 78 N 4.8203 8.8522 120.5022 52.0569 40.4375 174.2568 79 I 3.8845 8.5569 126.7298 64.0831 37.7750 178.1182 80 G 4.1631 8.2961 102.3192 45.9304 0.0000 172.5882 81 E 4.7412 8.6981 116.5924 55.7517 31.7921 176.1758 82 D 5.0486 7.7219 117.6456 50.3202 44.0475 176.2092 83 V 4.0303 8.4789 118.6110 66.5833 31.3595 177.2748 84 E 3.8342 8.2316 117.9886 59.5162 29.4874 178.1223 85 E 4.0019 8.6263 119.3147 59.6617 29.6541 178.7557 86 M 4.2510 8.4416 117.2021 58.2078 31.3732 178.5973 87 L 4.1537 8.6887 120.4530 57.6935 41.7499 179.4281 88 R 3.8985 8.5927 119.0619 59.4120 30.0639 178.5641 89 S 4.1167 8.1535 113.1550 61.2994 62.3965 175.8092 90 D 4.2623 8.1981 121.7064 57.1423 40.5346 178.4433 91 L 4.0171 8.2812 120.7108 58.2731 42.1504 178.8514 92 A 4.0069 8.2826 120.8703 55.0980 18.2540 179.4094 93 L 3.9176 7.8983 118.5889 58.3174 42.1392 179.0628 94 E 4.0692 8.3936 118.5837 59.4131 29.5501 179.2711 95 L 4.0436 8.1659 119.0757 58.0875 41.7366 179.4353 96 D 4.5263 8.4133 118.9250 57.2136 40.6480 179.0936 97 G 3.6450 8.3340 106.2519 47.5316 0.0000 175.6991 98 A 4.0248 8.5146 123.5875 54.7113 18.3803 179.5588 99 K 3.8536 7.9544 117.6875 59.9263 32.2659 178.6599 100 N 4.3711 8.0975 116.5621 56.4375 38.3691 177.4340 101 L 3.9765 8.2334 120.4179 57.8088 41.6773 179.6638 102 R 3.8875 8.3042 118.3892 59.1506 30.0441 178.7533 103 E 3.8252 8.1143 118.6540 59.2832 29.6454 178.6603 104 A 2.7690 7.8389 120.9915 54.7958 18.4316 179.6195 105 I 3.7083 7.9435 118.5743 64.5183 36.9646 178.9346 106 G 3.6007 7.8444 106.1844 47.8993 0.0000 175.1929 107 Y 4.0404 8.0784 122.5476 59.6653 38.8393 177.4004 108 A 3.8292 8.2745 122.1591 55.2966 18.5550 179.0798 109 D 4.1060 7.9319 116.3653 57.3327 41.3200 178.4584 110 S 4.1426 7.4689 114.1766 60.1800 63.0052 175.7297 111 V 4.0439 6.7523 114.1439 60.6983 31.4403 175.8190 112 H 2.7618 6.9330 113.6703 56.6881 27.0721 176.4484 113 D 4.5381 7.3838 121.0458 53.4799 37.5944 176.2883 114 Y 4.3444 7.3957 121.3198 60.6357 38.4025 178.3602 115 V 3.7386 7.8510 119.9761 64.7588 31.8111 178.2627 116 S 4.1639 8.3829 115.9577 61.4521 62.6139 176.7204 117 R 3.8861 8.1350 121.0901 59.4778 29.9738 178.0477 118 D 4.3040 8.3031 117.7848 57.5878 41.3840 177.7630 119 M 4.0100 8.3042 118.8965 59.0983 32.1589 178.1462 120 M 4.1814 8.2783 118.8468 58.3729 32.0955 178.8708 121 I 3.7371 8.1183 120.3809 64.3223 37.3072 178.2686 122 E 3.9786 8.0807 119.0502 59.3900 29.2753 179.4610 123 I 3.4866 7.5905 119.4953 64.2734 37.1610 178.1530 124 L 3.9667 8.1016 121.2572 58.1970 41.9591 178.9829 125 R 3.9470 8.0775 118.6301 59.5812 29.9989 178.3065 126 D 4.3631 8.0055 118.6248 57.1451 40.7692 178.6941 127 E 3.9156 8.2095 119.2850 59.3756 29.4845 178.6434 128 E 4.1305 8.7126 119.9597 59.3626 29.5432 179.1819 129 G 3.6503 7.9528 105.2517 48.2363 0.0000 175.3643 130 H 4.4389 8.0773 119.0597 58.5858 28.6577 177.7894 131 I 3.8109 8.4366 122.0147 64.5397 36.9980 177.7496 132 D 4.3687 8.4141 118.7793 57.1899 41.0120 178.2002 133 W 4.1246 8.3542 128.6395 60.4854 30.7594 177.8014 134 L 3.7857 8.5595 119.2102 57.8901 41.1234 179.3461 135 E 3.9185 8.3970 118.5118 59.7267 29.3230 179.6108 136 T 3.7742 7.8595 115.5305 66.5758 68.5391 176.3860 137 E 3.7359 7.6703 120.4024 59.5008 29.0656 179.4925 138 L 3.7885 7.7380 118.7448 57.9183 41.6157 179.4538 139 D 4.3735 8.1471 118.8077 57.1326 40.6466 178.7453 140 L 3.9894 8.0665 120.0043 57.7109 41.7023 179.4746 141 I 3.3798 7.3888 119.7396 64.4926 36.7423 178.5343 142 Q 3.9763 7.3611 116.3578 58.7734 28.5947 178.5498 143 K 4.1445 7.9861 119.0656 58.8008 32.2951 178.4104 144 M 4.3973 8.3330 114.7821 53.9723 32.4926 177.3195 145 G 4.1010 7.4941 104.9564 45.9530 0.0000 174.4545 146 L 3.9420 8.3991 121.1667 58.0371 42.1892 179.1639 147 Q 4.0052 8.1082 117.4774 59.4083 28.7551 178.7736 148 N 4.3709 8.1754 116.6427 56.4146 38.3461 176.7499 149 Y 4.0051 7.8160 120.2411 60.5642 39.1814 177.6975 150 L 4.0649 8.3353 120.2458 57.9330 41.6567 179.2076 151 Q 4.0056 8.1477 119.1719 59.0828 28.7162 177.7494 152 A 4.1609 7.4943 118.9319 53.3664 18.8216 178.2027 153 Q 4.2831 8.0057 116.3563 55.7526 29.1973 177.6076 154 I 4.0225 7.2818 121.0127 62.7155 37.4653 176.5253 155 R 4.6713 7.5531 118.0015 53.7724 32.2656 175.5978 156 E 4.1196 8.4681 119.8052 55.8967 30.5136 175.8842 157 E 4.0363 8.5516 122.4196 55.5092 30.3626 176.6202 *158 G 3.7327 8.6142 114.2219 45.8881 0.0000 172.1370 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 1.48 1.74 0.00 0.00 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.51 2.42 0.00 2 K 8.46 3.94 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 8.74 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 4.58 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 8.89 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 3.81 0.00 1.69 1.95 0.00 1.45 0.00 0.00 1.11 0.00 0.00 2.39 0.00 0.00 2.72 0.00 0.00 0.00 0.00 0.56 0.96 7.81 7 V 8.70 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 1.04 0.00 0.00 1.21 0.00 0.00 8 I 7.77 3.78 2.04 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 0.68 0.91 0.00 0.00 9 N 8.32 4.24 0.00 2.63 2.63 0.00 0.00 7.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 10 Y 8.06 4.08 0.00 3.19 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 11 L 8.47 3.82 0.00 1.99 1.76 1.05 0.85 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 8.49 4.39 0.00 2.87 2.82 0.00 0.00 6.69 8.23 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 13 K 8.17 3.87 0.00 1.74 1.96 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 8.20 3.84 0.00 0.90 1.25 0.90 0.50 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 15 L 7.85 4.09 0.00 1.72 1.85 1.04 1.07 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 8.21 3.62 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 0.00 0.00 0.00 17 N 8.05 4.36 0.00 3.00 2.92 0.00 0.00 7.04 7.82 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 18 E 8.43 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 2.79 2.85 0.00 19 L 8.37 4.22 0.00 1.88 1.96 0.95 1.12 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 3.63 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 0.94 0.00 0.00 0.95 0.00 0.00 21 A 8.08 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 8.30 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 1.60 0.77 0.91 0.00 0.00 23 N 7.82 4.39 0.00 2.93 2.86 0.00 0.00 6.76 7.81 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 24 Q 8.34 3.83 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 8.44 4.37 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 8.45 3.82 0.00 3.43 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 8.22 3.97 0.00 1.94 1.58 0.88 0.86 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 8.24 3.81 0.00 3.56 3.28 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 8.32 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 3.86 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 1.31 1.68 0.00 31 M 7.79 3.42 0.00 0.87 1.60 0.00 0.00 0.00 0.00 0.00 2.07 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 7.51 4.59 0.00 3.31 3.26 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 33 K 8.13 3.94 0.00 2.05 1.92 0.00 1.56 0.00 0.00 1.59 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 7.98 4.28 0.00 2.68 2.67 0.00 0.00 7.33 8.67 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 35 W 8.00 4.75 0.00 3.73 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 8.43 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 8.19 4.63 0.00 2.22 1.69 1.07 0.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.21 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 1.69 1.08 1.04 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 3.01 0.00 0.00 7.12 7.87 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 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 1.74 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 -0.61 0.00 0.00 0.78 0.00 0.00 44 E 8.28 3.80 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 8.09 3.86 0.00 2.94 3.00 0.00 0.00 0.00 0.00 0.00 0.00 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 8.15 4.13 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 7.71 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 7.88 4.15 0.00 3.96 3.90 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 49 I 7.37 3.57 1.83 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 0.91 0.50 0.84 0.00 0.00 50 D 7.71 4.17 0.00 2.91 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 51 E 8.12 4.28 0.00 2.14 2.17 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.72 2.67 0.00 52 M 8.06 4.06 0.00 2.04 2.23 0.00 0.00 0.00 0.00 0.00 2.03 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 7.96 3.88 0.00 1.88 1.82 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 1.63 7.81 54 H 8.05 4.08 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 8.22 4.21 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 8.34 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 1.79 0.00 3.13 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 1.58 1.73 0.00 58 Y 7.82 4.36 0.00 3.24 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 59 I 8.22 3.79 2.05 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 0.84 0.95 0.00 0.00 60 E 8.51 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 4.06 0.00 2.15 2.21 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 8.44 3.76 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 0.98 0.00 0.00 63 L 8.09 4.07 0.00 2.11 1.80 0.95 1.05 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 8.12 4.38 0.00 2.98 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 8.22 4.28 0.00 1.84 1.63 1.05 0.69 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 8.00 3.86 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 2.16 2.27 0.00 67 G 8.33 3.97 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 0.00 0.00 0.00 68 L 8.02 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 9.40 4.72 0.00 2.59 2.78 0.00 0.00 7.08 7.76 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 71 L 8.32 4.62 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 1.39 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 6.56 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 1.10 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 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 1.55 0.89 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 4.82 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 3.88 1.89 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 1.34 0.92 0.93 0.00 0.00 80 G 8.30 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 2.81 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 8.48 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 1.01 0.00 0.00 1.24 0.00 0.00 84 E 8.23 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 8.63 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 8.44 4.25 0.00 2.29 1.76 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.83 3.05 0.00 87 L 8.69 4.15 0.00 2.03 1.78 1.26 0.72 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 8.59 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 8.15 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 8.20 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 8.28 4.02 0.00 1.82 1.91 0.98 0.93 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 92 A 8.28 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 7.90 3.92 0.00 1.92 1.80 0.91 0.76 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 8.39 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 0.95 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 96 D 8.41 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 8.33 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 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 K 7.95 3.85 0.00 2.08 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 8.10 4.37 0.00 3.00 2.91 0.00 0.00 7.13 6.75 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 0.00 101 L 8.23 3.98 0.00 1.98 1.73 0.98 1.16 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 8.30 3.89 0.00 1.97 1.98 0.00 3.14 0.00 0.00 3.10 7.56 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 8.11 3.83 0.00 2.19 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 2.35 2.37 0.00 104 A 7.84 2.77 1.03 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 0.00 0.00 0.00 0.00 0.00 105 I 7.94 3.71 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 7.84 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 8.08 4.04 0.00 3.17 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 0.00 108 A 8.27 3.83 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 7.93 4.11 0.00 2.88 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 7.47 4.14 0.00 3.95 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 6.75 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 0.45 0.00 0.00 0.67 0.00 0.00 112 H 6.93 2.76 0.00 3.17 3.28 0.00 5.84 0.00 0.00 0.00 0.00 6.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 D 7.38 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 7.40 4.34 0.00 3.12 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 3.74 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 0.95 0.00 0.00 0.98 0.00 0.00 116 S 8.38 4.16 0.00 4.19 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 0.00 117 R 8.13 3.89 0.00 1.91 2.21 0.00 3.32 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 1.69 1.67 0.00 118 D 8.30 4.30 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 8.30 4.01 0.00 2.25 2.04 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 2.50 2.49 0.00 120 M 8.28 4.18 0.00 2.16 2.27 0.00 0.00 0.00 0.00 0.00 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.94 2.83 0.00 121 I 8.12 3.74 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 0.93 0.92 0.00 0.00 122 E 8.08 3.98 0.00 2.11 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 7.59 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 1.00 0.68 0.77 0.00 0.00 124 L 8.10 3.97 0.00 1.85 1.85 0.94 0.84 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 8.08 3.95 0.00 2.02 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 8.01 4.36 0.00 2.94 2.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 127 E 8.21 3.92 0.00 2.16 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 8.71 4.13 0.00 2.26 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 2.34 2.38 0.00 129 G 7.95 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 0.00 130 H 8.08 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 8.44 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 0.89 0.97 0.00 0.00 132 D 8.41 4.37 0.00 2.97 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 8.35 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 1.43 1.50 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 8.40 3.92 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 2.49 0.00 136 T 7.86 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 7.67 3.74 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 7.74 3.79 0.00 1.72 1.62 0.89 0.86 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 0.00 139 D 8.15 4.37 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 8.07 3.99 0.00 1.84 1.83 0.95 0.80 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 7.39 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 -0.12 0.07 0.71 0.00 0.00 142 Q 7.36 3.98 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 7.99 4.14 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 8.33 4.40 0.00 2.18 2.20 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 2.60 2.85 0.00 145 G 7.49 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 8.40 3.94 0.00 1.74 1.66 0.94 0.86 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 4.01 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 8.18 4.37 0.00 2.98 2.89 0.00 0.00 6.66 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 7.82 4.01 0.00 3.02 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 0.00 150 L 8.34 4.06 0.00 2.04 1.70 1.06 1.10 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 8.15 4.01 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 7.49 4.16 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 0.00 153 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 6.96 6.76 0.00 0.00 0.00 0.00 0.00 2.01 2.19 0.00 154 I 7.28 4.02 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 7.55 4.67 0.00 1.75 1.80 0.00 3.19 0.00 0.00 3.27 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.