NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 2 D 4.5506 8.2185 120.3192 52.7088 40.8564 175.6491 3 A 3.7277 8.4580 120.8812 55.3087 18.0383 177.8827 4 A 4.1060 8.9205 119.2208 55.9238 18.5856 177.7310 5 E 3.8914 8.1621 115.1121 59.6042 29.8747 179.8155 6 V 3.8272 8.2805 118.5150 65.9523 31.6586 177.4958 7 E 3.8990 9.0828 120.1228 59.4886 28.8854 178.4524 8 F 4.1367 8.4628 120.4214 61.3086 39.2249 176.9594 9 L 4.2952 8.3792 118.5747 57.0693 41.6547 178.9321 10 A 2.7028 7.4984 120.7146 54.3277 17.7286 178.6669 11 E 4.1766 7.3953 115.5385 57.4329 29.3175 178.2725 12 K 4.3511 7.4267 118.5213 56.2226 33.3670 176.4898 13 E 4.1346 7.3681 121.2933 56.5079 30.7317 175.8068 14 L 4.9613 8.5117 126.2911 54.2035 42.9570 176.3011 15 V 4.6009 8.6071 121.8235 60.3018 35.7561 174.1133 16 T 5.0977 8.3119 117.5882 61.9083 70.6703 173.8101 17 I 5.1017 8.7552 119.6084 58.9614 41.7449 174.5410 18 I 4.5029 8.7227 118.9786 58.6203 38.9318 173.4045 19 P 4.7808 0.0000 0.0000 62.0408 33.3629 175.8697 20 N 5.2710 8.6609 116.2437 52.3596 38.5368 173.6155 21 F 5.4826 7.4880 113.1160 56.3826 41.7021 173.1140 22 S 5.5091 8.7832 113.1614 55.7778 64.8547 173.2768 23 L 4.9454 8.4550 125.5889 53.0178 45.7346 175.3430 24 D 4.8802 8.8447 125.0864 53.7236 42.2395 175.6186 25 K 4.2367 8.4787 121.4625 56.6202 32.3053 176.0293 26 I 4.0887 8.3851 122.2706 60.6749 39.3360 174.7212 27 Y 4.8261 8.6206 124.9270 56.0514 37.4693 175.0476 28 L 4.5493 8.4514 124.6444 53.4195 43.2193 178.3900 29 I 3.7515 8.7020 122.6392 64.4151 37.1916 177.6098 30 G 4.0525 7.8005 107.6531 45.9130 0.0000 171.4123 31 G 3.7317 7.3249 105.4012 43.8409 0.0000 172.8098 32 D 5.0806 8.5892 117.2055 52.5053 44.5827 176.0096 33 L 4.7099 7.7680 119.9408 52.6630 43.2635 175.9766 34 G 3.8818 8.0588 110.1583 42.1030 0.0000 169.3582 35 P 4.4628 0.0000 0.0000 63.4622 31.8549 175.2044 36 F 4.4889 9.5667 121.2884 56.2184 40.8695 174.6386 37 N 5.3144 8.3260 120.2416 50.3718 42.4083 172.2888 38 P 4.8552 0.0000 0.0000 62.7875 32.0197 175.5304 39 G 3.9812 8.6764 107.1170 45.9997 0.0000 172.8932 40 L 4.4717 7.4504 119.6330 51.8586 43.6936 174.1854 41 P 4.3713 0.0000 0.0000 63.4884 31.8720 176.1248 42 V 4.3257 8.5638 122.6669 61.2350 35.4431 173.4404 43 E 5.0075 8.6439 126.7926 55.0965 30.6992 175.6861 44 V 4.5239 8.3791 123.2661 58.9741 35.7393 173.3362 45 P 4.6752 0.0000 0.0000 62.1136 31.8968 177.4136 46 L 3.8495 8.8326 124.1782 58.1445 41.7557 179.9038 47 W 4.1405 7.7286 115.9386 59.3664 28.2287 178.2355 48 L 3.5568 6.3733 120.6964 57.5045 41.4036 178.0216 49 A 3.8784 7.8869 120.8508 55.8404 18.2460 179.6169 50 I 3.3495 8.0748 117.5006 64.3161 37.0679 178.3455 51 N 4.2327 8.1524 117.8629 56.7486 38.9142 176.8951 52 L 3.8962 8.3860 120.6564 57.5339 41.4922 179.3057 53 K 3.8352 8.5714 119.4564 59.8202 32.4625 178.6129 54 Q 4.1923 8.0523 117.4783 58.9082 28.3409 177.7154 55 R 4.0022 7.8250 117.1228 55.7482 29.8262 176.2956 56 Q 3.5231 7.5791 117.8375 56.6168 28.5923 173.9526 57 K 5.2047 7.7243 114.3164 55.1930 32.6442 174.8567 58 C 5.0691 7.0505 112.5045 59.3753 32.0588 173.3508 59 R 4.7046 8.1842 118.9725 54.5096 32.6838 173.9309 60 L 4.6791 9.7987 127.6272 53.9916 42.9858 176.0984 61 L 4.5513 8.8561 124.1356 52.2405 42.8741 175.0551 62 P 4.1057 0.0000 0.0000 61.8338 31.8543 174.6897 63 P 4.1421 0.0000 0.0000 62.4344 31.9007 175.7937 64 E 3.9926 8.9496 123.1699 59.3301 29.7125 178.8898 65 W 4.4618 7.6021 115.1234 55.9791 25.9177 174.4585 *67 D 4.3159 7.7389 121.8865 54.3776 43.0649 173.2157 68 V 3.2504 8.7798 120.9949 67.2948 31.1020 176.9666 69 E 4.1002 8.8490 122.6823 59.4114 30.2831 179.0199 70 K 4.1553 7.7734 117.8446 59.6078 31.9972 179.3564 71 L 4.0861 8.0800 118.1542 57.6353 41.7301 178.8331 72 E 4.0916 8.5044 118.4093 57.9462 29.5082 177.3663 73 K 4.4333 7.6526 119.1880 56.7537 33.6011 177.8184 *75 R 4.1141 7.9079 119.0727 56.0797 31.0388 176.9503 76 D 4.4506 7.9801 117.1714 57.5757 40.9052 177.9983 77 H 4.4065 7.9149 118.1407 58.4552 29.7792 177.0441 78 E 4.5516 7.3825 123.1672 58.6594 29.4740 178.2884 79 R 4.1330 8.1896 113.7116 55.9722 30.0080 177.2188 80 K 3.9457 8.0827 120.8573 55.8064 32.0922 176.9840 81 E 3.7994 5.9000 111.4461 56.4629 30.8529 177.4136 82 E 3.9223 8.8256 124.0420 59.1160 30.0346 176.6050 83 T 4.1135 7.3152 111.7351 60.4122 69.4750 172.8076 84 F 4.9146 8.2080 120.3147 57.7409 39.6229 175.2325 85 T 4.2387 8.8423 122.8204 61.6756 69.0900 173.5785 86 P 4.6346 0.0000 0.0000 62.3069 31.2096 173.4498 *88 P 4.0156 0.0000 0.0000 60.9138 33.4840 176.0180 89 S 4.5714 6.3361 110.3124 56.0406 63.9208 173.8394 90 P 4.4536 0.0000 0.0000 63.4823 30.6569 176.8809 91 Y 4.8412 8.0806 113.4953 59.7981 39.7599 175.1655 92 Y 4.1626 8.4153 120.4609 58.5855 38.4541 178.3794 *94 E 4.2788 8.1127 119.4106 56.9844 31.7586 177.8498 95 L 4.0226 8.0570 117.8671 58.7667 41.7416 180.1573 96 T 3.9753 7.9396 115.1505 66.3112 67.8920 176.8885 97 K 3.9265 7.8423 121.1649 59.4920 32.5304 178.8525 98 L 4.0697 8.5557 119.6472 57.7963 41.4678 179.4524 99 L 4.1211 8.2599 119.0546 57.2552 41.4598 178.7945 100 L 4.1884 7.8573 116.9743 56.1220 41.8561 177.8143 101 N 4.6440 7.6677 114.8361 54.5455 39.5175 175.9559 102 H 4.8243 7.9975 115.1014 56.0304 30.4448 175.0549 103 A 4.7975 8.2680 124.8647 50.9923 19.4967 178.0838 104 S 4.1926 8.3262 117.4030 62.3859 63.5018 176.1494 105 D 4.3665 8.2479 120.1587 57.2630 40.5322 177.1588 106 N 4.5726 8.0177 113.7797 53.7851 39.1507 175.0255 107 I 4.0337 7.2931 120.2778 59.1181 37.7854 173.5860 108 P 4.0345 0.0000 0.0000 63.1889 30.5406 174.0681 109 K 3.5567 8.5434 126.9132 56.4054 29.8240 175.7205 110 A 4.1264 8.1802 126.2064 54.7303 18.3369 178.8605 111 D 4.3701 7.7726 115.8271 57.2027 41.0518 179.4269 112 E 3.8347 8.0841 119.3513 59.3591 29.6911 178.4558 113 I 3.7148 7.1241 116.2090 64.4483 38.3123 176.8853 114 R 3.8201 8.6828 119.2649 60.0226 29.6891 177.8151 115 T 3.8260 7.8431 111.5462 65.5355 67.3491 175.7315 116 L 3.9448 7.4775 120.1499 58.4863 41.9783 179.0844 117 V 3.8428 7.6357 117.1398 65.9841 31.8740 177.9298 118 K 4.3566 8.1474 118.1043 59.8255 32.4693 179.1954 119 D 4.7186 8.1788 121.1462 53.7185 40.8307 178.1965 *121 W 5.0515 7.9922 130.4331 57.7526 32.9200 176.8513 122 D 4.4744 9.1835 118.9854 57.5306 40.0902 178.3587 123 T 4.2588 7.2877 104.5678 62.4396 68.6552 175.1273 124 R 4.4597 7.4779 121.9821 57.8527 31.8733 177.6605 125 I 3.5370 7.4962 119.3227 64.1008 37.1974 177.7143 126 A 4.2724 8.2203 122.0447 55.6297 17.7278 179.9547 127 K 3.9987 8.1304 115.4127 58.8590 31.9063 178.7755 128 L 4.4595 8.7552 121.1078 57.1272 42.3756 178.5894 129 R 4.0713 7.9247 118.3803 59.1434 29.7689 178.9710 130 V 3.6271 7.6712 117.5263 65.8443 31.6531 177.3242 131 S 3.9731 7.8683 110.8420 59.6639 62.2851 175.7091 132 A 4.1285 7.9098 123.6365 55.5768 18.7160 178.6446 133 D 4.3889 8.2414 116.0968 58.4794 40.9500 178.1532 134 S 4.1612 7.8865 113.4830 60.4150 62.5270 175.3910 135 F 3.8094 8.2451 122.5455 61.6237 39.2228 178.1134 136 V 3.7470 8.0365 117.4266 66.5455 31.2566 177.7623 137 R 3.9707 7.9069 116.9206 59.4078 30.0644 178.5656 138 Q 4.0725 8.5352 118.0819 56.4482 30.0775 176.0400 139 Q 3.9615 7.5986 118.5263 55.6472 26.0343 171.5988 *146 D 4.3062 7.5511 118.1307 53.5982 40.9254 175.9677 147 N 4.5286 9.0262 115.2778 53.2694 37.3432 173.5291 148 L 4.4856 7.2915 115.6848 53.9225 43.8430 175.7446 149 T 4.3522 10.1434 110.8375 60.1585 70.1837 175.3954 150 L 4.3041 8.2175 125.8338 55.1078 42.5834 178.4534 *152 E 4.2388 8.3532 119.2505 56.4640 31.6777 177.9113 153 I 4.1903 7.5696 109.1862 61.3231 38.1236 176.7157 154 N 4.8210 7.8619 118.2189 54.6957 40.7126 176.3957 155 T 4.2495 8.0181 105.9108 63.2547 69.4742 174.9492 156 S 4.5272 7.8232 115.7564 57.5550 64.9550 175.0954 157 G 3.9550 7.9924 105.3576 47.5423 0.0000 175.4953 158 T 3.8607 7.7629 109.4718 64.2999 69.4983 175.4581 159 F 4.0139 8.3659 123.5609 60.7356 39.4792 176.5329 160 L 4.2104 8.5379 118.3856 58.3473 41.3039 179.9169 161 T 3.7769 8.2202 114.9742 66.7727 68.7445 176.2326 162 Q 3.9332 8.1409 119.4578 58.8315 28.7507 178.4917 163 A 3.7789 7.5978 121.5830 55.6112 18.1628 179.8379 164 L 4.0616 7.6048 115.4910 57.7555 41.7418 178.9805 165 N 4.6430 8.3847 115.1764 54.8770 38.8898 175.5900 166 H 4.8832 7.9552 118.3489 56.0342 30.1343 175.9872 *168 Y 4.6478 7.9005 122.7495 57.1811 40.6393 175.5404 169 K 4.1494 8.0157 120.1308 58.2960 32.5368 178.0394 170 L 4.1639 7.9774 118.2857 56.3736 42.1383 178.0743 171 R 4.2500 7.9527 116.1954 57.3692 30.2893 176.2113 172 T 4.2163 7.3731 104.2294 62.8964 70.8415 173.6313 173 N 4.4767 8.1909 123.4062 52.8534 39.3129 173.5723 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 2 D 8.22 4.55 0.00 2.89 2.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 3 A 8.46 3.73 1.37 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 0.00 0.00 0.00 0.00 0.00 0.00 4 A 8.92 4.11 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 5 E 8.16 3.89 0.00 2.23 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 2.26 2.41 0.00 6 V 8.28 3.83 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 1.19 0.00 0.00 1.01 0.00 0.00 7 E 9.08 3.90 0.00 2.03 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 2.31 2.32 0.00 8 F 8.46 4.14 0.00 3.10 3.25 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 9 L 8.38 4.30 0.00 2.03 1.59 1.16 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.84 0.00 0.00 0.00 0.00 0.00 0.00 10 A 7.50 2.70 1.14 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 0.00 0.00 0.00 0.00 0.00 11 E 7.40 4.18 0.00 2.13 2.00 0.00 0.00 0.00 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 2.43 0.00 12 K 7.43 4.35 0.00 1.86 1.88 0.00 1.73 0.00 0.00 1.65 0.00 0.00 3.03 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.33 7.81 13 E 7.37 4.13 0.00 2.28 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.53 2.50 0.00 14 L 8.51 4.96 0.00 1.59 1.57 0.92 0.85 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 15 V 8.61 4.60 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 0.72 0.00 0.00 0.89 0.00 0.00 16 T 8.31 5.10 4.20 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 1.21 0.00 0.00 17 I 8.76 5.10 1.98 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 1.30 1.15 0.88 0.00 0.00 18 I 8.72 4.50 1.82 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.38 0.86 0.86 0.00 0.00 19 P 0.00 4.78 0.00 0.92 1.87 0.00 3.68 0.00 0.00 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.98 1.83 0.00 20 N 8.66 5.27 0.00 2.84 3.08 0.00 0.00 5.44 8.12 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 21 F 7.49 5.48 0.00 3.00 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 22 S 8.78 5.51 0.00 3.90 3.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 23 L 8.46 4.95 0.00 1.97 1.73 0.94 1.10 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 24 D 8.84 4.88 0.00 2.65 2.67 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 25 K 8.48 4.24 0.00 1.62 1.56 0.00 1.48 0.00 0.00 1.38 0.00 0.00 2.80 0.00 0.00 2.76 0.00 0.00 0.00 0.00 0.55 1.11 7.81 26 I 8.39 4.09 1.93 0.00 0.00 0.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.73 0.97 0.00 0.00 27 Y 8.62 4.83 0.00 2.95 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 28 L 8.45 4.55 0.00 1.96 1.71 1.13 1.03 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 29 I 8.70 3.75 1.93 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 1.40 0.52 0.95 0.00 0.00 30 G 7.80 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 31 G 7.32 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 32 D 8.59 5.08 0.00 2.53 2.39 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 33 L 7.77 4.71 0.00 1.57 1.70 0.90 0.71 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 34 G 8.06 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 0.00 0.00 0.00 35 P 0.00 4.46 0.00 2.01 2.05 0.00 3.59 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.86 1.96 0.00 36 F 9.57 4.49 0.00 2.97 2.57 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 0.00 0.00 0.00 37 N 8.33 5.31 0.00 2.53 2.60 0.00 0.00 6.87 8.03 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 38 P 0.00 4.86 0.00 2.04 1.95 0.00 3.48 0.00 0.00 4.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 1.83 0.00 39 G 8.68 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 40 L 7.45 4.47 0.00 1.63 1.57 0.88 1.29 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 0.00 0.00 0.00 0.00 41 P 0.00 4.37 0.00 1.91 1.96 0.00 3.62 0.00 0.00 3.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.99 2.07 0.00 42 V 8.56 4.33 1.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.51 0.00 0.00 0.67 0.00 0.00 43 E 8.64 5.01 0.00 1.81 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 2.21 2.23 0.00 44 V 8.38 4.52 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 0.70 0.00 0.00 0.84 0.00 0.00 45 P 0.00 4.68 0.00 1.22 1.92 0.00 3.19 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 1.96 1.99 0.00 46 L 8.83 3.85 0.00 1.83 1.69 0.94 0.88 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 47 W 7.73 4.14 0.00 3.56 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 48 L 6.37 3.56 0.00 0.37 1.22 0.66 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.02 0.00 0.00 0.00 0.00 0.00 0.00 49 A 7.89 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 50 I 8.07 3.35 1.90 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 1.38 0.77 0.68 0.00 0.00 51 N 8.15 4.23 0.00 3.04 3.01 0.00 0.00 7.13 5.95 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 52 L 8.39 3.90 0.00 1.96 1.76 0.77 0.60 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 53 K 8.57 3.84 0.00 1.73 2.02 0.00 1.69 0.00 0.00 1.75 0.00 0.00 3.17 0.00 0.00 2.98 0.00 0.00 0.00 0.00 1.46 1.51 7.81 54 Q 8.05 4.19 0.00 2.34 2.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.44 6.78 0.00 0.00 0.00 0.00 0.00 2.70 2.37 0.00 55 R 7.83 4.00 0.00 1.99 1.92 0.00 3.46 0.00 0.00 3.06 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.59 0.00 56 Q 7.58 3.52 0.00 2.17 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.46 7.43 0.00 0.00 0.00 0.00 0.00 2.28 2.28 0.00 57 K 7.72 5.20 0.00 2.01 1.81 0.00 1.33 0.00 0.00 0.63 0.00 0.00 2.55 0.00 0.00 2.57 0.00 0.00 0.00 0.00 1.41 1.19 7.81 58 C 7.05 5.07 0.00 3.05 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 59 R 8.18 4.70 0.00 1.87 1.74 0.00 3.06 0.00 0.00 3.15 7.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.74 0.00 60 L 9.80 4.68 0.00 1.61 1.54 0.91 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 61 L 8.86 4.55 0.00 1.56 1.54 0.93 1.22 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 62 P 0.00 4.11 0.00 1.91 1.84 0.00 3.62 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 2.03 0.00 63 P 0.00 4.14 0.00 0.69 1.74 0.00 3.21 0.00 0.00 3.35 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 1.93 0.00 64 E 8.95 3.99 0.00 1.94 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 2.32 2.33 0.00 65 W 7.60 4.46 0.00 3.58 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 *67 D 7.74 4.32 0.00 2.82 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 68 V 8.78 3.25 2.09 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.10 0.00 0.00 0.93 0.00 0.00 69 E 8.85 4.10 0.00 1.98 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 2.34 2.44 0.00 70 K 7.77 4.16 0.00 2.05 1.93 0.00 1.80 0.00 0.00 1.73 0.00 0.00 3.48 0.00 0.00 3.04 0.00 0.00 0.00 0.00 1.50 1.68 7.81 71 L 8.08 4.09 0.00 1.68 1.79 1.16 1.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 0.00 0.00 0.00 0.00 0.00 0.00 72 E 8.50 4.09 0.00 2.01 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 2.34 2.35 0.00 73 K 7.65 4.43 0.00 2.06 1.94 0.00 1.72 0.00 0.00 1.58 0.00 0.00 2.91 0.00 0.00 2.95 0.00 0.00 0.00 0.00 1.36 1.42 7.81 *75 R 7.91 4.11 0.00 1.92 1.96 0.00 3.26 0.00 0.00 3.36 7.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.61 1.68 0.00 76 D 7.98 4.45 0.00 2.82 2.71 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 77 H 7.91 4.41 0.00 3.27 3.31 0.00 5.77 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 78 E 7.38 4.55 0.00 2.25 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 2.28 2.25 0.00 79 R 8.19 4.13 0.00 1.77 1.96 0.00 3.22 0.00 0.00 3.16 7.52 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 1.76 0.00 80 K 8.08 3.95 0.00 2.04 1.73 0.00 1.89 0.00 0.00 1.80 0.00 0.00 3.04 0.00 0.00 2.89 0.00 0.00 0.00 0.00 1.41 1.47 7.81 81 E 5.90 3.80 0.00 1.98 1.88 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 2.36 2.42 0.00 82 E 8.83 3.92 0.00 1.89 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 2.21 2.25 0.00 83 T 7.32 4.11 4.14 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 0.00 0.00 1.18 0.00 0.00 84 F 8.21 4.91 0.00 3.05 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 85 T 8.84 4.24 4.46 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 1.13 0.00 0.00 86 P 0.00 4.63 0.00 2.14 2.16 0.00 3.80 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 1.99 2.00 0.00 *88 P 0.00 4.02 0.00 0.58 1.40 0.00 3.16 0.00 0.00 3.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 1.82 0.00 89 S 6.34 4.57 0.00 3.80 3.46 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 90 P 0.00 4.45 0.00 1.71 1.94 0.00 3.86 0.00 0.00 3.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.92 1.94 0.00 91 Y 8.08 4.84 0.00 3.08 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 92 Y 8.42 4.16 0.00 2.73 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 *94 E 8.11 4.28 0.00 2.29 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 2.34 2.40 0.00 95 L 8.06 4.02 0.00 2.11 1.98 1.12 1.02 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 96 T 7.94 3.98 4.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.30 0.00 0.00 97 K 7.84 3.93 0.00 1.72 1.93 0.00 1.79 0.00 0.00 1.80 0.00 0.00 2.90 0.00 0.00 3.00 0.00 0.00 0.00 0.00 1.46 1.40 7.81 98 L 8.56 4.07 0.00 1.71 1.74 0.93 0.73 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 99 L 8.26 4.12 0.00 1.75 1.67 0.83 0.63 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 0.00 100 L 7.86 4.19 0.00 1.84 1.70 0.91 1.13 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 0.00 101 N 7.67 4.64 0.00 2.70 2.71 0.00 0.00 6.88 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 0.00 102 H 8.00 4.82 0.00 3.38 3.31 0.00 5.61 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 0.00 103 A 8.27 4.80 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 0.00 104 S 8.33 4.19 0.00 4.00 4.31 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 0.00 105 D 8.25 4.37 0.00 2.68 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 0.00 106 N 8.02 4.57 0.00 2.67 2.96 0.00 0.00 7.05 7.13 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 0.00 107 I 7.29 4.03 1.84 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 1.24 0.30 0.87 0.00 0.00 108 P 0.00 4.03 0.00 2.01 2.03 0.00 3.77 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 1.98 2.04 0.00 109 K 8.54 3.56 0.00 1.97 1.77 0.00 1.60 0.00 0.00 1.82 0.00 0.00 3.00 0.00 0.00 2.97 0.00 0.00 0.00 0.00 1.41 1.47 7.81 110 A 8.18 4.13 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 0.00 111 D 7.77 4.37 0.00 2.70 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 0.00 112 E 8.08 3.83 0.00 2.04 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 0.00 2.39 2.37 0.00 113 I 7.12 3.71 1.88 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 1.40 0.84 1.03 0.00 0.00 114 R 8.68 3.82 0.00 1.87 2.03 0.00 3.17 0.00 0.00 3.09 7.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.65 1.67 0.00 115 T 7.84 3.83 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.34 0.00 0.00 116 L 7.48 3.94 0.00 1.76 2.00 0.95 1.60 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 0.00 117 V 7.64 3.84 2.35 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 1.22 0.00 0.00 1.20 0.00 0.00 118 K 8.15 4.36 0.00 2.09 2.10 0.00 1.59 0.00 0.00 1.85 0.00 0.00 3.24 0.00 0.00 2.93 0.00 0.00 0.00 0.00 1.73 1.61 7.81 119 D 8.18 4.72 0.00 3.02 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 *121 W 7.99 5.05 0.00 3.66 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 0.00 122 D 9.18 4.47 0.00 2.78 2.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 T 7.29 4.26 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 124 R 7.48 4.46 0.00 1.73 1.86 0.00 3.14 0.00 0.00 3.31 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.06 1.44 0.00 125 I 7.50 3.54 1.83 0.00 0.00 0.31 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.45 0.38 0.79 0.00 0.00 126 A 8.22 4.27 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 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 K 8.13 4.00 0.00 2.28 1.84 0.00 1.69 0.00 0.00 2.03 0.00 0.00 2.92 0.00 0.00 3.17 0.00 0.00 0.00 0.00 1.52 1.60 7.81 128 L 8.76 4.46 0.00 1.77 1.86 1.08 0.79 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 129 R 7.92 4.07 0.00 2.04 1.90 0.00 3.09 0.00 0.00 2.95 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.54 1.68 0.00 130 V 7.67 3.63 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 1.01 0.00 0.00 0.92 0.00 0.00 131 S 7.87 3.97 0.00 3.84 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 0.00 132 A 7.91 4.13 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 0.00 133 D 8.24 4.39 0.00 2.82 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 0.00 134 S 7.89 4.16 0.00 3.76 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 0.00 135 F 8.25 3.81 0.00 3.29 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 0.00 136 V 8.04 3.75 2.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.05 0.00 0.00 1.08 0.00 0.00 137 R 7.91 3.97 0.00 2.04 1.94 0.00 3.28 0.00 0.00 3.47 7.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.69 1.72 0.00 138 Q 8.54 4.07 0.00 2.12 2.19 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.42 6.57 0.00 0.00 0.00 0.00 0.00 2.40 2.21 0.00 139 Q 7.60 3.96 0.00 2.19 2.18 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.48 6.52 0.00 0.00 0.00 0.00 0.00 2.57 2.49 0.00 *146 D 7.55 4.31 0.00 2.82 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 0.00 147 N 9.03 4.53 0.00 2.86 3.32 0.00 0.00 6.89 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 0.00 148 L 7.29 4.49 0.00 1.55 1.47 -0.31 1.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.24 0.00 0.00 0.00 0.00 0.00 0.00 149 T 10.14 4.35 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 1.22 0.00 0.00 150 L 8.22 4.30 0.00 1.72 1.82 1.02 0.90 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 *152 E 8.35 4.24 0.00 1.94 1.60 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 1.49 2.34 0.00 153 I 7.57 4.19 1.84 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 1.44 0.61 0.84 0.00 0.00 154 N 7.86 4.82 0.00 2.96 2.88 0.00 0.00 6.75 6.93 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 0.00 155 T 8.02 4.25 4.42 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 1.42 0.00 0.00 156 S 7.82 4.53 0.00 4.02 3.79 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 0.00 157 G 7.99 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 0.00 158 T 7.76 3.86 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 1.23 0.00 0.00 159 F 8.37 4.01 0.00 3.12 3.14 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 0.00 0.00 0.00 160 L 8.54 4.21 0.00 1.88 1.75 0.91 0.89 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.97 0.00 0.00 0.00 0.00 0.00 0.00 161 T 8.22 3.78 4.37 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 0.00 0.00 0.00 1.17 0.00 0.00 162 Q 8.14 3.93 0.00 1.94 1.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.66 0.00 0.00 0.00 0.00 0.00 2.29 2.49 0.00 163 A 7.60 3.78 1.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 164 L 7.60 4.06 0.00 1.77 1.73 0.99 1.15 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 0.00 165 N 8.38 4.64 0.00 2.77 2.90 0.00 0.00 6.95 8.18 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 0.00 166 H 7.96 4.88 0.00 3.34 3.26 0.00 5.66 0.00 0.00 0.00 0.00 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *168 Y 7.90 4.65 0.00 2.97 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 0.00 169 K 8.02 4.15 0.00 2.13 1.94 0.00 1.82 0.00 0.00 1.85 0.00 0.00 3.03 0.00 0.00 3.13 0.00 0.00 0.00 0.00 1.48 1.46 7.81 170 L 7.98 4.16 0.00 1.90 1.68 0.92 0.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 171 R 7.95 4.25 0.00 1.79 1.93 0.00 3.22 0.00 0.00 3.44 7.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.61 0.00 172 T 7.37 4.22 4.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.87 0.00 0.00 173 N 8.19 4.48 0.00 2.87 2.82 0.00 0.00 6.91 7.40 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 * Residues marked with a * may have inaccurate shift predictions.